A0A5K4FEC1_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 425 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	44.4	Very low	48.6	Very low	236 Å²	236	168.5 Å²	168.5	100%	1.163	84%	0.844	S	S	*	*				0	95.5	0	-80.3	168.2	156.9	0	0	108.3
2	N	45	Very low	48.9	Very low	168 Å²	168	165.4 Å²	165.4	90%	0.898	83%	0.83	S	S	*	*			trans	171.6	84.8	159.5	-95.9	-14.6	0	0	0	107.3
3	Y	47.9	Very low	49.4	Very low	241 Å²	241	166.1 Å²	166.1	95%	0.945	83%	0.825	S	S	*	*			trans	-94.5	104.9	170.3	-85.7	-84.1	0	0	0	108.3	M5	Y3-M5 PolarHBondContact O-N 3.37Å
4	S	51.1	Low	49.8	Very low	108 Å²	108	164.1 Å²	164.1	76%	0.755	82%	0.817	S	S	*	*			trans	-77.3	102.8	170.6	159	0	0	0	0	109.1	R6	S4-R6 PolarHBondContact O-N 3.27Å
5	M	47	Very low	49.8	Very low	186 Å²	186	168.5 Å²	168.5	92%	0.916	82%	0.82	S	S	*	*			trans	-68.5	109.7	166.1	-96.2	-177.4	148.5	0	0	109.7	Y3	Y3-M5 PolarHBondContact O-N 3.37Å
6	R	48.9	Very low	49.6	Very low	229 Å²	229	163.3 Å²	163.3	86%	0.864	81%	0.806	S	S	*	*			trans	-83.4	109.3	162.3	-78.7	-176.1	172.5	-170	-2.2	108.3	S4 T8	S4-R6 PolarHBondContact O-N 3.27Å; R6-T8 PolarHBondContact O-N 3.48Å
7	S	47.3	Very low	49.7	Very low	113 Å²	113	158.6 Å²	158.6	79%	0.79	79%	0.793	S	S	*	*			trans	-74.7	109.6	166	-75.2	0	0	0	0	109.4	I9	S7-I9 PolarHBondContact O-N 3.37Å
8	T	51.9	Low	49.7	Very low	124 Å²	124	155.9 Å²	155.9	76%	0.761	79%	0.786	S	S	*	*			trans	-80.6	109.8	167.9	-51	0	0	0	0	108.2	R6 L10	R6-T8 PolarHBondContact O-N 3.48Å; T8-L10 PolarHBondContact O-N 3.34Å
9	I	52	Low	49.7	Very low	136 Å²	136	159 Å²	159	70%	0.697	79%	0.789	S	S	*	*			trans	-76.7	110.2	171.3	-63.9	172.9	0	0	0	107.4	S7 F11	S7-I9 PolarHBondContact O-N 3.37Å; I9-F11 HydrophobicContact CG2-CD2 3.97Å; I9-F11 HydrophobicContact CG2-CE2 3.91Å; I9-F11 PolarHBondContact O-N 3.1Å
10	L	47.3	Very low	49.9	Very low	143 Å²	143	156.9 Å²	156.9	75%	0.749	79%	0.785	S	S	*	*			trans	-80.2	104.9	172.7	-140	90.3	0	0	0	108.3	T8 I12	T8-L10 PolarHBondContact O-N 3.34Å; L10-I12 HydrophobicContact CD2-CG1 4.42Å; L10-I12 PolarHBondContact O-N 3.24Å
11	F	52	Low	50.2	Low	170 Å²	170	157.6 Å²	157.6	75%	0.746	79%	0.786	S	S	*	*			trans	-77	103	167.5	-91.1	-87	0	0	0	108.8	I9 F13	I9-F11 HydrophobicContact CG2-CD2 3.97Å; I9-F11 HydrophobicContact CG2-CE2 3.91Å; I9-F11 PolarHBondContact O-N 3.1Å; F11-F13 PolarHBondContact O-N 3.26Å
12	I	52.6	Low	51.1	Low	131 Å²	131	151.6 Å²	151.6	67%	0.672	77%	0.765	S	S	*	*			trans	-77	101.1	166.6	-60.2	173.9	0	0	0	106.6	L10 I14	L10-I12 HydrophobicContact CD2-CG1 4.42Å; L10-I12 PolarHBondContact O-N 3.24Å; I12-I14 HydrophobicContact CG2-CG1 3.98Å; I12-I14 PolarHBondContact O-N 3.38Å; I12-I14 VanDerWaalsContact O-N 3.1Å
13	F	55.4	Low	52.3	Low	174 Å²	174	148.8 Å²	148.8	76%	0.763	75%	0.749	S	S	*	*			trans	-71.6	98.5	164.5	-92.3	-87.5	0	0	0	108.1	F11 W15	F11-F13 PolarHBondContact O-N 3.26Å; F13-W15 VanDerWaalsContact C-N 3.26Å; F13-W15 PolarHBondContact O-N 2.86Å
14	I	54.2	Low	53.9	Low	139 Å²	139	142.4 Å²	142.4	71%	0.713	74%	0.736	S	S	*	*			trans	-72.8	91	164.4	-56.3	172.3	0	0	0	105.9	I12 S16	I12-I14 HydrophobicContact CG2-CG1 3.98Å; I12-I14 PolarHBondContact O-N 3.38Å; I12-I14 VanDerWaalsContact O-N 3.1Å; I14-S16 PolarHBondContact O-N 3Å
15	W	49.6	Very low	55.9	Low	230 Å²	230	138.7 Å²	138.7	87%	0.871	71%	0.708	S	S	*	*			trans	-67.4	87.5	164.6	-124.5	66.9	0	0	0	106.6	F13 S17	F13-W15 VanDerWaalsContact C-N 3.26Å; F13-W15 PolarHBondContact O-N 2.86Å; W15-S17 VanDerWaalsContact C-N 3.33Å; W15-S17 PolarHBondContact O-N 3.42Å
16	S	47.9	Very low	58.1	Low	84 Å²	84	130.7 Å²	130.7	59%	0.587	67%	0.67	S	S	*	*			trans	-64.8	103.9	165.2	-48.6	0	0	0	0	104.4	I14 V18	I14-S16 PolarHBondContact O-N 3Å; S16-V18 PolarHBondContact O-N 2.75Å
17	S	50	Low	60.4	Low	84 Å²	84	121.9 Å²	121.9	59%	0.587	64%	0.638	S	S	*	*			trans	-60.2	88.9	163.3	42.1	0	0	0	0	106.3	W15 Y19	W15-S17 VanDerWaalsContact C-N 3.33Å; W15-S17 PolarHBondContact O-N 3.42Å; S17-Y19 PolarHBondContact O-N 3Å
18	V	51.1	Low	62.7	Low	110 Å²	110	116.7 Å²	116.7	67%	0.667	60%	0.602	S	S	*	*			trans	-64.1	97.2	166.7	-178.7	0	0	0	0	103.9	S16 T20	S16-V18 PolarHBondContact O-N 2.75Å; V18-T20 HydrophobicContact CG1-CG2 3.85Å; V18-T20 PolarHBondContact O-N 2.96Å
19	Y	49.4	Very low	64.8	Low	215 Å²	215	118.8 Å²	118.8	84%	0.843	60%	0.596	S	S	*	*			trans	-61.2	90.8	158.9	-85.6	-91.2	0	0	0	105.3	S17 E21	S17-Y19 PolarHBondContact O-N 3Å; Y19-E21 VanDerWaalsContact C-N 3.34Å; Y19-E21 PolarHBondContact O-N 3.35Å
20	T	53	Low	67	Low	117 Å²	117	112.8 Å²	112.8	72%	0.718	57%	0.565	S	S	*	*			trans	-66.5	103.3	165.7	50.1	0	0	0	0	104.9	V18	V18-T20 HydrophobicContact CG1-CG2 3.85Å; V18-T20 PolarHBondContact O-N 2.96Å
21	E	56.8	Low	69.3	Low	172 Å²	172	108 Å²	108	80%	0.804	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-50.2	134.6	167.3	-73.7	-166.4	168.2	0	0	107.7	Y19 I23	Y19-E21 VanDerWaalsContact C-N 3.34Å; Y19-E21 PolarHBondContact O-N 3.35Å; E21-I23 PolarHBondContact O-N 3.3Å; E21-I23 VanDerWaalsContact O-N 3.1Å
22	P	63.6	Low	71.2	Confident	109 Å²	109	109.6 Å²	109.6	71%	0.708	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-52.4	124.3	177.1	-21.4	30.2	0	0	0	108.5	P24	P22-P24 VanDerWaalsContact O-CD 3.29Å; P22-P24 WeakPolarHBondContact O-CD 3.45Å
23	I	68.7	Low	73.2	Confident	110 Å²	110	109.9 Å²	109.9	56%	0.564	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-59.3	117.9	175.9	-63.1	172.7	0	0	0	106.3	E21 L25	E21-I23 PolarHBondContact O-N 3.3Å; E21-I23 VanDerWaalsContact O-N 3.1Å; I23-L25 PolarHBondContact O-N 2.95Å
24	P	81.6	Confident	75.2	Confident	106 Å²	106	102 Å²	102	69%	0.688	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-59.6	135.4	-176.2	22.2	-31.9	0	0	0	109.2	P22 S26	P22-P24 VanDerWaalsContact O-CD 3.29Å; P22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-S26 PolarHBondContact O-N 3.03Å
25	L	93.3	Very high	77.2	Confident	30 Å²	30	98 Å²	98	16%	0.157	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-57.5	143.2	177	-61.7	-177.6	0	0	0	109.7	I23 Y117 S207 N208	I23-L25 PolarHBondContact O-N 2.95Å; L25-Y117 HydrophobicContact CB-CE1 4.25Å; L25-Y117 HydrophobicContact CB-CE2 4.47Å; L25-Y117 HydrophobicContact CD1-CD2 4.23Å; L25-Y117 HydrophobicContact CD1-CE2 4.19Å; L25-Y117 HydrophobicContact CD1-CG 4.48Å; L25-Y117 HydrophobicContact CD2-CD2 4.31Å; L25-Y117 HydrophobicContact CD2-CE2 3.59Å; L25-Y117 HydrophobicContact CG-CE2 4.29Å; L25-S207 WeakPolarHBondContact O-CB 3.46Å; L25-S207 PolarHBondContact O-OG 3.22Å; L25-N208 HydrophobicContact CB-CB 4.21Å; L25-N208 HydrophobicContact CD1-CB 3.43Å; L25-N208 VanDerWaalsContact CD1-CB 3.43Å; L25-N208 HydrophobicContact CG-CB 4.47Å
26	S	94.4	Very high	79.5	Confident	18 Å²	18	87.5 Å²	87.5	13%	0.126	46%	0.46	C	S	.	.			trans	-120.4	150.4	-178.3	69.7	0	0	0	0	110.2	P24 I28 H39 Y117 S207	P24-S26 PolarHBondContact O-N 3.03Å; S26-I28 PolarHBondContact O-N 2.83Å; S26-I28 VanDerWaalsContact O-N 3.16Å; S26-H39 WeakPolarHBondContact CB-ND1 3.34Å; S26-H39 PolarHBondContact OG-N 2.88Å; S26-H39 PolarHBondContact OG-ND1 2.88Å; S26-Y117 PolarHBondContact N-OH 2.91Å; S26-Y117 WeakPolarHBondContact O-CE1 3.42Å; S26-Y117 PolarHBondContact O-OH 3.29Å; S26-S207 CarbonylContact C-O 3.51Å
27	K	95.6	Very high	81.8	Confident	44 Å²	44	86.2 Å²	86.2	19%	0.191	45%	0.445	C	S	.	.			trans	-55.1	125.1	173.5	-75.9	-67.3	-167.9	-177.3	0	110.5	G204 K206 V209 T258	K27-G204 WeakPolarHBondContact CE-O 3.21Å; K27-G204 PolarHBondContact NZ-O 3.44Å; K27-K206 WeakPolarHBondContact CE-O 3.17Å; K27-K206 PolarHBondContact NZ-O 3.27Å; K27-V209 PolarHBondContact NZ-O 2.69Å; K27-T258 PolarHBondContact NZ-OG1 3.32Å
28	I	97.1	Very high	84	Confident	5 Å²	5	82.9 Å²	82.9	3%	0.026	42%	0.421	C	S	.	.			trans	-83.1	144	178.5	-59.3	-65.6	0	0	0	109.8	S26 F36 M37 D38 K44 F46 Y117 L210 L259	S26-I28 PolarHBondContact O-N 2.83Å; S26-I28 VanDerWaalsContact O-N 3.16Å; I28-F36 HydrophobicContact CG2-CB 3.75Å; I28-F36 HydrophobicContact CG2-CD1 3.88Å; I28-F36 HydrophobicContact CG2-CG 4.31Å; I28-M37 WeakPolarHBondContact CA-O 3.44Å; I28-D38 HydrophobicContact CD1-CB 4Å; I28-K44 HydrophobicContact CD1-CG 3.97Å; I28-F46 HydrophobicContact CD1-CZ 4.11Å; I28-F46 HydrophobicContact CG1-CZ 3.89Å; I28-F46 HydrophobicContact CG2-CE2 4.34Å; I28-F46 HydrophobicContact CG2-CZ 4.32Å; I28-Y117 HydrophobicContact CD1-CE1 4.14Å; I28-Y117 HydrophobicContact CG1-CD1 4.22Å; I28-Y117 HydrophobicContact CG1-CE1 3.57Å; I28-L210 HydrophobicContact CB-CD1 3.64Å; I28-L210 HydrophobicContact CG1-CD1 3.82Å; I28-L210 HydrophobicContact CG2-CD1 3.85Å; I28-L259 HydrophobicContact CG2-CD1 4.3Å
29	R	95.4	Very high	85.9	Confident	168 Å²	168	83.4 Å²	83.4	63%	0.634	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	167.4	173.8	-55.3	-176.5	-174.5	-156.1	1.8	109.3	F36 M37	R29-F36 CarbonylContact O-C 3.5Å; R29-F36 WeakPolarHBondContact O-CA 3.24Å; R29-M37 PolarHBondContact N-O 3.49Å; R29-M37 PolarHBondContact O-N 2.97Å
30	L	97.8	Very high	88	Confident	9 Å²	9	77.9 Å²	77.9	5%	0.047	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.3	170.4	-56.6	170.4	0	0	0	109.9	M35 F36 L259 P296 S297 S299 V300	L30-M35 WeakPolarHBondContact CA-O 3.39Å; L30-F36 HydrophobicContact CD2-CD1 3.57Å; L30-F36 HydrophobicContact CD2-CE1 3.74Å; L30-F36 HydrophobicContact CD2-CG 4.07Å; L30-F36 HydrophobicContact CD2-CZ 4.33Å; L30-L259 HydrophobicContact CD1-CD2 4.45Å; L30-L259 HydrophobicContact CG-CD2 4.1Å; L30-P296 WeakPolarHBondContact CD1-O 3.35Å; L30-S297 PolarHBondContact N-O 3.02Å; L30-S297 VanDerWaalsContact N-O 3.16Å; L30-S299 WeakPolarHBondContact CD1-O 3.33Å; L30-V300 HydrophobicContact CD1-CG2 4.05Å; L30-V300 HydrophobicContact CD2-CG2 4.39Å
31	N	95.3	Very high	89.8	Confident	43 Å²	43	74.2 Å²	74.2	23%	0.23	39%	0.386	C	S	.	.			trans	-76.5	-174.8	168.9	78.5	-3.9	0	0	0	110.9	D33 G34 M35 M37	N31-D33 PolarHBondContact O-N 3.03Å; N31-D33 WeakPolarHBondContact OD1-CA 3.32Å; N31-D33 PolarHBondContact OD1-N 2.89Å; N31-G34 PolarHBondContact O-N 2.93Å; N31-G34 PolarHBondContact OD1-N 2.84Å; N31-G34 VanDerWaalsContact OD1-N 3.13Å; N31-M35 PolarHBondContact N-O 3.16Å; N31-M35 WeakPolarHBondContact OD1-CB 3.35Å; N31-M35 PolarHBondContact OD1-N 3.29Å; N31-M37 HydrophobicContact CB-SD 4.4Å
32	Q	93.2	Very high	91.6	Very high	203 Å²	203	70 Å²	70	95%	0.949	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.6	-178.9	-66.6	-179.3	-6.9	0	0	113.7	G34	Q32-G34 VanDerWaalsContact C-N 3.33Å
33	D	93.8	Very high	93.2	Very high	137 Å²	137	68 Å²	68	73%	0.733	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	1	178.4	-54.8	-54.1	0	0	0	112.8	N31 M35	N31-D33 PolarHBondContact O-N 3.03Å; N31-D33 WeakPolarHBondContact OD1-CA 3.32Å; N31-D33 PolarHBondContact OD1-N 2.89Å; D33-M35 HydrophobicContact CB-CG 4.14Å
34	G	96.5	Very high	94.5	Very high	8 Å²	8	65.7 Å²	65.7	8%	0.082	33%	0.334	C	S	.	.	S	Bend	trans	79.6	15	-177.4	0	0	0	0	0	114.3	N31 Q32 G348 G349	N31-G34 PolarHBondContact O-N 2.93Å; N31-G34 PolarHBondContact OD1-N 2.84Å; N31-G34 VanDerWaalsContact OD1-N 3.13Å; Q32-G34 VanDerWaalsContact C-N 3.33Å; G34-G348 WeakPolarHBondContact CA-O 3.25Å; G34-G349 WeakPolarHBondContact O-CA 3.31Å
35	M	97.4	Very high	95.2	Very high	55 Å²	55	62.4 Å²	62.4	27%	0.271	31%	0.31	S	S	.	.			trans	-86.3	139.9	178.6	-55.4	-67.4	-73.4	0	0	110.8	L30 N31 D33 I43 F383	L30-M35 WeakPolarHBondContact CA-O 3.39Å; N31-M35 PolarHBondContact N-O 3.16Å; N31-M35 WeakPolarHBondContact OD1-CB 3.35Å; N31-M35 PolarHBondContact OD1-N 3.29Å; D33-M35 HydrophobicContact CB-CG 4.14Å; M35-I43 HydrophobicContact CB-CD1 3.87Å; M35-I43 HydrophobicContact CB-CG2 4.18Å; M35-I43 HydrophobicContact CE-CG2 3.83Å; M35-F383 HydrophobicContact CE-CB 4.38Å; M35-F383 HydrophobicContact CE-CD1 3.19Å; M35-F383 HydrophobicContact CE-CE1 3.63Å; M35-F383 HydrophobicContact CE-CG 4.01Å
36	F	98.1	Very high	95.5	Very high	10 Å²	10	61 Å²	61	4%	0.044	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130	176.2	-58.3	-83.6	0	0	0	111	I28 R29 L30 I43 K44 F46 L210 L259 F261 V300 F351	I28-F36 HydrophobicContact CG2-CB 3.75Å; I28-F36 HydrophobicContact CG2-CD1 3.88Å; I28-F36 HydrophobicContact CG2-CG 4.31Å; R29-F36 CarbonylContact O-C 3.5Å; R29-F36 WeakPolarHBondContact O-CA 3.24Å; L30-F36 HydrophobicContact CD2-CD1 3.57Å; L30-F36 HydrophobicContact CD2-CE1 3.74Å; L30-F36 HydrophobicContact CD2-CG 4.07Å; L30-F36 HydrophobicContact CD2-CZ 4.33Å; F36-I43 CarbonylContact O-C 3.54Å; F36-I43 VanDerWaalsContact O-CA 3.24Å; F36-I43 WeakPolarHBondContact O-CA 3.34Å; F36-K44 HydrophobicContact CB-CB 4.32Å; F36-K44 PolarHBondContact O-N 3.16Å; F36-F46 HydrophobicContact CB-CD2 4.32Å; F36-F46 HydrophobicContact CB-CE2 3.59Å; F36-F46 HydrophobicContact CB-CZ 4.47Å; F36-F46 HydrophobicContact CD1-CD2 4.32Å; F36-F46 AromaticContact CD1-CE2 3.8Å; F36-F46 HydrophobicContact CD1-CE2 3.8Å; F36-F46 HydrophobicContact CD2-CD2 4.04Å; F36-F46 HydrophobicContact CD2-CE2 4.1Å; F36-F46 HydrophobicContact CE2-CD2 4.49Å; F36-F46 AromaticContact CG-CD2 3.97Å; F36-F46 HydrophobicContact CG-CD2 3.97Å; F36-F46 AromaticContact CG-CE2 3.56Å; F36-F46 HydrophobicContact CG-CE2 3.56Å; F36-L210 HydrophobicContact CD1-CD1 4.42Å; F36-L259 HydrophobicContact CD1-CD1 3.79Å; F36-L259 HydrophobicContact CE1-CD1 3.68Å; F36-F261 HydrophobicContact CE1-CZ 4.4Å; F36-V300 HydrophobicContact CE1-CG1 4.45Å; F36-V300 HydrophobicContact CE1-CG2 3.75Å; F36-V300 HydrophobicContact CZ-CG1 3.95Å; F36-V300 HydrophobicContact CZ-CG2 4.05Å; F36-F351 HydrophobicContact CE1-CD2 4.49Å; F36-F351 HydrophobicContact CE2-CD2 4.02Å; F36-F351 HydrophobicContact CZ-CB 4.4Å; F36-F351 AromaticContact CZ-CD2 3.7Å; F36-F351 HydrophobicContact CZ-CD2 3.7Å
37	M	96.6	Very high	95.6	Very high	58 Å²	58	62.8 Å²	62.8	29%	0.286	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.2	-174.8	-168	176.5	68.8	0	0	110.6	I28 R29 N31 F42 I43	I28-M37 WeakPolarHBondContact CA-O 3.44Å; R29-M37 PolarHBondContact N-O 3.49Å; R29-M37 PolarHBondContact O-N 2.97Å; N31-M37 HydrophobicContact CB-SD 4.4Å; M37-F42 WeakPolarHBondContact CA-O 3.41Å; M37-I43 HydrophobicContact CB-CD1 4.2Å; M37-I43 HydrophobicContact CG-CD1 4.27Å
38	D	94.3	Very high	95.6	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.07	30%	0.298	C	S	.	.			trans	-80.6	-179.8	172.8	72.5	15.6	0	0	0	112.5	I28 L40 G41 F42 K44	I28-D38 HydrophobicContact CD1-CB 4Å; D38-L40 PolarHBondContact O-N 3.42Å; D38-L40 WeakPolarHBondContact OD1-CA 3.5Å; D38-L40 WeakPolarHBondContact OD1-CB 3.49Å; D38-L40 PolarHBondContact OD1-N 2.96Å; D38-G41 PolarHBondContact O-N 2.89Å; D38-G41 PolarHBondContact OD1-N 3.13Å; D38-F42 PolarHBondContact N-O 3.42Å; D38-F42 PolarHBondContact OD1-N 3.17Å; D38-K44 HydrophobicContact CB-CG 4.49Å; D38-K44 WeakPolarHBondContact OD2-CE 3.1Å; D38-K44 IonicContact OD2-NZ 2.79Å; D38-K44 PolarHBondContact OD2-NZ 2.78Å
39	H	91.7	Very high	95.5	Very high	121 Å²	121	60.7 Å²	60.7	56%	0.56	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.9	-179.4	74.6	-75.6	0	0	0	114.6	S26	S26-H39 WeakPolarHBondContact CB-ND1 3.34Å; S26-H39 PolarHBondContact OG-N 2.88Å; S26-H39 PolarHBondContact OG-ND1 2.88Å
40	L	92.8	Very high	95.5	Very high	99 Å²	99	52.8 Å²	52.8	52%	0.518	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.5	177.7	-61.1	175.7	0	0	0	112.1	D38 F42	D38-L40 PolarHBondContact O-N 3.42Å; D38-L40 WeakPolarHBondContact OD1-CA 3.5Å; D38-L40 WeakPolarHBondContact OD1-CB 3.49Å; D38-L40 PolarHBondContact OD1-N 2.96Å; L40-F42 HydrophobicContact CB-CD2 3.68Å; L40-F42 HydrophobicContact CB-CE2 3.75Å; L40-F42 HydrophobicContact CD1-CD2 4.21Å; L40-F42 HydrophobicContact CD1-CE2 3.9Å; L40-F42 HydrophobicContact CG-CE2 4.49Å
41	G	92.6	Very high	95.3	Very high	41 Å²	41	52.8 Å²	52.8	42%	0.423	27%	0.268	S	S	.	.	S	Bend	trans	93	5.4	-179	0	0	0	0	0	114.1	D38	D38-G41 PolarHBondContact O-N 2.89Å; D38-G41 PolarHBondContact OD1-N 3.13Å
42	F	94.6	Very high	95.3	Very high	82 Å²	82	51.2 Å²	51.2	36%	0.36	26%	0.26	S	S	.	.			trans	-75.8	132.4	176.2	-63.9	-68.9	0	0	0	110.6	M37 D38 L40 F423	M37-F42 WeakPolarHBondContact CA-O 3.41Å; D38-F42 PolarHBondContact N-O 3.42Å; D38-F42 PolarHBondContact OD1-N 3.17Å; L40-F42 HydrophobicContact CB-CD2 3.68Å; L40-F42 HydrophobicContact CB-CE2 3.75Å; L40-F42 HydrophobicContact CD1-CD2 4.21Å; L40-F42 HydrophobicContact CD1-CE2 3.9Å; L40-F42 HydrophobicContact CG-CE2 4.49Å; F42-F423 HydrophobicContact CD2-CZ 4.37Å; F42-F423 HydrophobicContact CE2-CE1 4.15Å; F42-F423 HydrophobicContact CE2-CE2 4.4Å; F42-F423 AromaticContact CE2-CZ 3.52Å; F42-F423 HydrophobicContact CE2-CZ 3.52Å; F42-F423 AromaticContact CZ-CE1 3.96Å; F42-F423 HydrophobicContact CZ-CE1 3.96Å; F42-F423 AromaticContact CZ-CZ 3.68Å; F42-F423 HydrophobicContact CZ-CZ 3.68Å
43	I	96.7	Very high	95.4	Very high	68 Å²	68	43.3 Å²	43.3	35%	0.349	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-69.8	132.2	170	-59.1	-54.4	0	0	0	109.3	M35 F36 M37 F383	M35-I43 HydrophobicContact CB-CD1 3.87Å; M35-I43 HydrophobicContact CB-CG2 4.18Å; M35-I43 HydrophobicContact CE-CG2 3.83Å; F36-I43 CarbonylContact O-C 3.54Å; F36-I43 VanDerWaalsContact O-CA 3.24Å; F36-I43 WeakPolarHBondContact O-CA 3.34Å; M37-I43 HydrophobicContact CB-CD1 4.2Å; M37-I43 HydrophobicContact CG-CD1 4.27Å; I43-F383 HydrophobicContact CG2-CE1 3.71Å; I43-F383 HydrophobicContact CG2-CZ 4.24Å
44	K	96.1	Very high	95.4	Very high	62 Å²	62	39.1 Å²	39.1	27%	0.27	20%	0.198	S	C	.	.			trans	-107.3	134	177.1	-59.9	-60	-178.6	-169.3	0	110.1	I28 F36 D38 F46	I28-K44 HydrophobicContact CD1-CG 3.97Å; F36-K44 HydrophobicContact CB-CB 4.32Å; F36-K44 PolarHBondContact O-N 3.16Å; D38-K44 HydrophobicContact CB-CG 4.49Å; D38-K44 WeakPolarHBondContact OD2-CE 3.1Å; D38-K44 IonicContact OD2-NZ 2.79Å; D38-K44 PolarHBondContact OD2-NZ 2.78Å; K44-F46 HydrophobicContact CB-CE1 4.21Å; K44-F46 HydrophobicContact CB-CE2 3.94Å; K44-F46 HydrophobicContact CB-CZ 3.67Å; K44-F46 HydrophobicContact CG-CZ 4.29Å
45	L	96.7	Very high	95.3	Very high	37 Å²	37	42.8 Å²	42.8	19%	0.194	22%	0.216	C	C	.	.			trans	-106.9	124.8	166.3	-175.5	64.8	0	0	0	107.4	N78 F383 E384	L45-N78 PolarHBondContact O-ND2 2.97Å; L45-F383 HydrophobicContact CB-CE1 3.84Å; L45-F383 HydrophobicContact CB-CZ 3.9Å; L45-F383 HydrophobicContact CD1-CD1 3.83Å; L45-F383 HydrophobicContact CD1-CE1 3.98Å; L45-F383 HydrophobicContact CD1-CG 4.29Å; L45-F383 HydrophobicContact CD2-CE2 4.35Å; L45-F383 HydrophobicContact CD2-CZ 4.41Å; L45-F383 HydrophobicContact CG-CE1 4.37Å; L45-E384 WeakPolarHBondContact CD1-O 3.46Å
46	F	98.1	Very high	95.1	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	24%	0.237	C	C	.	.			trans	-100.5	131.2	-178.9	-61.5	-74.8	0	0	0	111.5	I28 F36 K44 N78 V79 Y117 L210 F351 S385 W386	I28-F46 HydrophobicContact CD1-CZ 4.11Å; I28-F46 HydrophobicContact CG1-CZ 3.89Å; I28-F46 HydrophobicContact CG2-CE2 4.34Å; I28-F46 HydrophobicContact CG2-CZ 4.32Å; F36-F46 HydrophobicContact CB-CD2 4.32Å; F36-F46 HydrophobicContact CB-CE2 3.59Å; F36-F46 HydrophobicContact CB-CZ 4.47Å; F36-F46 HydrophobicContact CD1-CD2 4.32Å; F36-F46 AromaticContact CD1-CE2 3.8Å; F36-F46 HydrophobicContact CD1-CE2 3.8Å; F36-F46 HydrophobicContact CD2-CD2 4.04Å; F36-F46 HydrophobicContact CD2-CE2 4.1Å; F36-F46 HydrophobicContact CE2-CD2 4.49Å; F36-F46 AromaticContact CG-CD2 3.97Å; F36-F46 HydrophobicContact CG-CD2 3.97Å; F36-F46 AromaticContact CG-CE2 3.56Å; F36-F46 HydrophobicContact CG-CE2 3.56Å; K44-F46 HydrophobicContact CB-CE1 4.21Å; K44-F46 HydrophobicContact CB-CE2 3.94Å; K44-F46 HydrophobicContact CB-CZ 3.67Å; K44-F46 HydrophobicContact CG-CZ 4.29Å; F46-N78 WeakPolarHBondContact CA-OD1 3.23Å; F46-V79 HydrophobicContact CB-CB 3.99Å; F46-V79 HydrophobicContact CB-CG1 3.74Å; F46-V79 HydrophobicContact CD1-CB 4.1Å; F46-V79 HydrophobicContact CG-CB 4.38Å; F46-Y117 HydrophobicContact CD1-CD2 4.32Å; F46-Y117 AromaticContact CE1-CD2 3.53Å; F46-Y117 HydrophobicContact CE1-CD2 3.53Å; F46-Y117 AromaticContact CE1-CE2 3.91Å; F46-Y117 HydrophobicContact CE1-CE2 3.91Å; F46-Y117 AromaticContact CE1-CG 3.95Å; F46-Y117 HydrophobicContact CE1-CG 3.95Å; F46-Y117 HydrophobicContact CZ-CD2 4.41Å; F46-L210 HydrophobicContact CD1-CD2 4.38Å; F46-L210 HydrophobicContact CD2-CD2 3.95Å; F46-L210 HydrophobicContact CE1-CD2 4.4Å; F46-L210 HydrophobicContact CE2-CD1 3.89Å; F46-L210 HydrophobicContact CE2-CD2 3.93Å; F46-L210 HydrophobicContact CG-CD2 4.18Å; F46-L210 HydrophobicContact CZ-CD1 3.89Å; F46-L210 HydrophobicContact CZ-CD2 4.19Å; F46-F351 HydrophobicContact CB-CE2 3.65Å; F46-F351 HydrophobicContact CB-CZ 3.92Å; F46-F351 HydrophobicContact CD2-CE2 4.08Å; F46-F351 HydrophobicContact CG-CE2 4.19Å; F46-S385 PolarHBondContact N-OG 2.76Å; F46-S385 CarbonylContact O-C 3.43Å; F46-S385 WeakPolarHBondContact O-CA 3.37Å; F46-S385 WeakPolarHBondContact O-CB 3.5Å; F46-W386 PolarHBondContact O-N 2.61Å
47	R	96.8	Very high	95	Very high	55 Å²	55	49.4 Å²	49.4	21%	0.208	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128	178.4	-64.1	-174.3	175	-173	-0.1	108.7	L77 N78 D380 W386	R47-L77 VanDerWaalsContact O-CA 3.31Å; R47-L77 WeakPolarHBondContact O-CA 3.35Å; R47-N78 PolarHBondContact N-OD1 2.89Å; R47-N78 PolarHBondContact O-N 3.08Å; R47-N78 PolarHBondContact O-OD1 3.33Å; R47-D380 IonicContact CZ-OD1 3.77Å; R47-D380 IonicContact CZ-OD2 3.33Å; R47-D380 IonicContact NH2-OD1 2.79Å; R47-D380 PolarHBondContact NH2-OD1 3.19Å; R47-D380 IonicContact NH2-OD2 3.51Å; R47-D380 PolarHBondContact NH2-OD2 3.03Å; R47-W386 WeakPolarHBondContact CA-O 3.49Å; R47-W386 HydrophobicContact CB-CD2 4.4Å; R47-W386 HydrophobicContact CB-CH2 3.94Å; R47-W386 HydrophobicContact CB-CZ2 3.75Å; R47-W386 HydrophobicContact CB-CZ3 4.34Å; R47-W386 HydrophobicContact CG-CD2 4.34Å; R47-W386 HydrophobicContact CG-CH2 4.4Å; R47-W386 HydrophobicContact CG-CZ2 3.7Å
48	G	95.8	Very high	94.9	Very high	1 Å²	1	48 Å²	48	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-159.4	-165.7	0	0	0	0	0	114.1	V79 W386 T387 Y388	G48-V79 WeakPolarHBondContact CA-O 3.45Å; G48-W386 PolarHBondContact N-O 3.24Å; G48-W386 WeakPolarHBondContact O-CZ3 2.88Å; G48-T387 WeakPolarHBondContact O-CA 3.36Å; G48-Y388 PolarHBondContact O-N 3.14Å
49	F	94.5	Very high	94.9	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	169.9	-178.8	63.4	-85	0	0	0	111.9	N51 F72 L77 I80 R81 Y388 F393	F49-N51 HydrophobicContact CE2-CB 4.05Å; F49-F72 HydrophobicContact CE1-CB 4.49Å; F49-F72 HydrophobicContact CE1-CD1 4.29Å; F49-F72 AromaticContact CE1-CD2 3.63Å; F49-F72 HydrophobicContact CE1-CD2 3.63Å; F49-F72 HydrophobicContact CE1-CE1 4.39Å; F49-F72 AromaticContact CE1-CE2 3.74Å; F49-F72 HydrophobicContact CE1-CE2 3.74Å; F49-F72 AromaticContact CE1-CG 3.91Å; F49-F72 HydrophobicContact CE1-CG 3.91Å; F49-F72 HydrophobicContact CE1-CZ 4.08Å; F49-F72 HydrophobicContact CE2-CE2 4.16Å; F49-F72 HydrophobicContact CE2-CZ 4.38Å; F49-F72 AromaticContact CZ-CD2 3.54Å; F49-F72 HydrophobicContact CZ-CD2 3.54Å; F49-F72 HydrophobicContact CZ-CE1 4.46Å; F49-F72 AromaticContact CZ-CE2 3.23Å; F49-F72 HydrophobicContact CZ-CE2 3.23Å; F49-F72 HydrophobicContact CZ-CG 4.26Å; F49-F72 AromaticContact CZ-CZ 3.72Å; F49-F72 HydrophobicContact CZ-CZ 3.72Å; F49-L77 HydrophobicContact CD1-CD1 3.91Å; F49-L77 HydrophobicContact CE1-CD1 4.08Å; F49-I80 HydrophobicContact CD1-CG1 4.26Å; F49-I80 HydrophobicContact CE1-CD1 3.88Å; F49-I80 HydrophobicContact CE1-CG1 3.69Å; F49-I80 HydrophobicContact CE2-CD1 4.35Å; F49-I80 HydrophobicContact CE2-CG1 4.33Å; F49-I80 HydrophobicContact CE2-CG2 4.43Å; F49-I80 HydrophobicContact CZ-CD1 3.56Å; F49-I80 HydrophobicContact CZ-CG1 3.72Å; F49-I80 WeakPolarHBondContact O-CA 3.25Å; F49-R81 PolarHBondContact O-N 2.97Å; F49-Y388 CarbonylContact C-O 3.59Å; F49-Y388 VanDerWaalsContact CA-O 3.23Å; F49-Y388 WeakPolarHBondContact CA-O 3.29Å; F49-F393 HydrophobicContact CB-CE2 3.58Å; F49-F393 HydrophobicContact CB-CZ 3.79Å; F49-F393 AromaticContact CD1-CE2 3.71Å; F49-F393 HydrophobicContact CD1-CE2 3.71Å; F49-F393 HydrophobicContact CD2-CE2 4.06Å; F49-F393 HydrophobicContact CE1-CE2 4.39Å; F49-F393 HydrophobicContact CG-CD2 4.48Å; F49-F393 AromaticContact CG-CE2 3.52Å; F49-F393 HydrophobicContact CG-CE2 3.52Å; F49-F393 HydrophobicContact CG-CZ 4.25Å
50	N	95.3	Very high	94.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.5	174.5	-73.3	-91.9	0	0	0	110.5	V52 R81 T353 T387 Y388 W389 G391	N50-V52 HydrophobicContact CB-CG2 4.5Å; N50-R81 CarbonylContact C-O 3.44Å; N50-R81 WeakPolarHBondContact CA-O 3.13Å; N50-R81 WeakPolarHBondContact OD1-CB 3.17Å; N50-R81 VanDerWaalsContact OD1-CD 3.24Å; N50-R81 WeakPolarHBondContact OD1-CD 3.05Å; N50-R81 VanDerWaalsContact OD1-CG 3.31Å; N50-R81 WeakPolarHBondContact OD1-CG 3.44Å; N50-R81 PolarHBondContact OD1-NH1 2.92Å; N50-T353 PolarHBondContact ND2-O 2.86Å; N50-T387 PolarHBondContact ND2-O 3.39Å; N50-Y388 PolarHBondContact N-O 2.94Å; N50-Y388 PolarHBondContact ND2-O 3.46Å; N50-W389 HydrophobicContact CB-CD2 4.4Å; N50-W389 HydrophobicContact CB-CE3 3.48Å; N50-W389 VanDerWaalsContact CB-CE3 3.48Å; N50-W389 HydrophobicContact CB-CZ3 3.73Å; N50-G391 PolarHBondContact O-N 2.94Å
51	N	94.4	Very high	94.3	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	94.4	169.2	-173.6	-13.6	0	0	0	108.4	F49 Q60 I80 R81 L82 G83 Y111	F49-N51 HydrophobicContact CE2-CB 4.05Å; N51-Q60 WeakPolarHBondContact OD1-CG 3.15Å; N51-Q60 PolarHBondContact OD1-NE2 3.21Å; N51-I80 HydrophobicContact CB-CG2 3.64Å; N51-R81 PolarHBondContact N-O 3.16Å; N51-L82 HydrophobicContact CB-CD1 4.23Å; N51-L82 WeakPolarHBondContact O-CA 3.44Å; N51-G83 PolarHBondContact O-N 2.71Å; N51-Y111 PolarHBondContact ND2-OH 3.17Å
52	V	94.6	Very high	93.9	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	23%	0.234	C	C	.	.			trans	-128	132.5	-176.5	-178.9	0	0	0	0	108.8	N50 K54 Q60 H123 W389	N50-V52 HydrophobicContact CB-CG2 4.5Å; V52-K54 HydrophobicContact CG1-CG 3.96Å; V52-Q60 PolarHBondContact O-NE2 3.06Å; V52-H123 HydrophobicContact CG1-CB 3.89Å; V52-W389 HydrophobicContact CB-CH2 4.13Å; V52-W389 HydrophobicContact CB-CZ3 4.41Å; V52-W389 HydrophobicContact CG2-CH2 4.26Å; V52-W389 HydrophobicContact CG2-CZ3 4.05Å
53	Q	95.4	Very high	93.3	Very high	37 Å²	37	41.6 Å²	41.6	17%	0.173	22%	0.218	C	C	.	.			trans	-113.7	118.4	167.6	-177.9	74.9	30.1	0	0	108.2	D55 Q60	Q53-D55 VanDerWaalsContact C-N 3.31Å; Q53-D55 VanDerWaalsContact CG-O 3.28Å; Q53-D55 WeakPolarHBondContact CG-O 3.28Å; Q53-D55 PolarHBondContact NE2-OD1 2.79Å; Q53-D55 PolarHBondContact NE2-OD2 3.32Å; Q53-D55 PolarHBondContact O-N 2.82Å; Q53-Q60 HydrophobicContact CB-CG 4.26Å
54	K	94.9	Very high	92.9	Very high	49 Å²	49	42.9 Å²	42.9	21%	0.213	22%	0.219	C	C	.	.			trans	-91.1	9.4	-170.8	-63.1	-177.4	-177.2	-162.9	0	113.5	V52 W58 H123 D125 Y134	V52-K54 HydrophobicContact CG1-CG 3.96Å; K54-W58 WeakPolarHBondContact O-CZ3 3.49Å; K54-H123 VanDerWaalsContact CE-NE2 3.3Å; K54-H123 WeakPolarHBondContact CE-NE2 3.38Å; K54-H123 PolarHBondContact NZ-NE2 3.03Å; K54-D125 WeakPolarHBondContact CD-OD2 3.48Å; K54-D125 VanDerWaalsContact CE-OD2 3.29Å; K54-D125 WeakPolarHBondContact CE-OD2 3.35Å; K54-D125 IonicContact NZ-OD1 3.22Å; K54-D125 IonicContact NZ-OD2 3.74Å; K54-D125 PolarHBondContact NZ-OD2 3.31Å; K54-Y134 HydrophobicContact CB-CD1 3.81Å; K54-Y134 HydrophobicContact CB-CD2 4.32Å; K54-Y134 HydrophobicContact CB-CE1 3.7Å; K54-Y134 HydrophobicContact CB-CE2 4.24Å; K54-Y134 HydrophobicContact CB-CG 4.1Å; K54-Y134 HydrophobicContact CD-CD1 4.41Å; K54-Y134 HydrophobicContact CD-CE1 3.68Å; K54-Y134 HydrophobicContact CG-CD1 4.47Å; K54-Y134 HydrophobicContact CG-CE1 3.87Å; K54-Y134 WeakPolarHBondContact O-CB 3.3Å; K54-Y134 WeakPolarHBondContact O-CD2 3.5Å
55	D	93.3	Very high	92.6	Very high	86 Å²	86	42.9 Å²	42.9	46%	0.46	22%	0.222	S	C	.	.	S	Bend	trans	-148.8	156.1	-173	45.4	-54.9	0	0	0	109.8	Q53 W58	Q53-D55 VanDerWaalsContact C-N 3.31Å; Q53-D55 VanDerWaalsContact CG-O 3.28Å; Q53-D55 WeakPolarHBondContact CG-O 3.28Å; Q53-D55 PolarHBondContact NE2-OD1 2.79Å; Q53-D55 PolarHBondContact NE2-OD2 3.32Å; Q53-D55 PolarHBondContact O-N 2.82Å; D55-W58 VanDerWaalsContact O-CA 3.32Å; D55-W58 WeakPolarHBondContact O-CA 3.45Å; D55-W58 PolarHBondContact O-N 3.1Å
56	F	94.2	Very high	92.3	Very high	160 Å²	160	45.2 Å²	45.2	70%	0.702	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	131.5	-179.2	-178.9	-86.3	0	0	0	110.2	W58	F56-W58 AromaticContact CD2-NE1 3.87Å
57	P	95.3	Very high	91.9	Very high	43 Å²	43	49.4 Å²	49.4	28%	0.279	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.9	15.8	19.7	38.1	-38.3	0	0	0	116.1	Y59	P57-Y59 VanDerWaalsContact C-N 3.33Å; P57-Y59 HydrophobicContact CB-CD1 4.24Å; P57-Y59 HydrophobicContact CB-CE1 3.6Å; P57-Y59 HydrophobicContact CG-CD1 4.32Å; P57-Y59 HydrophobicContact CG-CD2 4.36Å; P57-Y59 HydrophobicContact CG-CE1 3.88Å; P57-Y59 HydrophobicContact CG-CE2 3.94Å; P57-Y59 WeakPolarHBondContact O-CD1 3.4Å; P57-Y59 VanDerWaalsContact O-CE1 3.31Å; P57-Y59 WeakPolarHBondContact O-CE1 3.25Å
58	W	96	Very high	91.5	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.106	25%	0.252	C	S	.	.	S	Bend	trans	71.7	20	175.5	-45.5	108.6	0	0	0	115.5	K54 D55 F56 M85 Y100 Y134 D135	K54-W58 WeakPolarHBondContact O-CZ3 3.49Å; D55-W58 VanDerWaalsContact O-CA 3.32Å; D55-W58 WeakPolarHBondContact O-CA 3.45Å; D55-W58 PolarHBondContact O-N 3.1Å; F56-W58 AromaticContact CD2-NE1 3.87Å; W58-M85 HydrophobicContact CB-CB 4.08Å; W58-M85 HydrophobicContact CB-CG 3.73Å; W58-M85 HydrophobicContact CD2-CB 4.01Å; W58-M85 HydrophobicContact CD2-CG 4Å; W58-M85 HydrophobicContact CE3-CB 3.94Å; W58-M85 HydrophobicContact CE3-CE 4.14Å; W58-M85 HydrophobicContact CE3-CG 3.6Å; W58-M85 HydrophobicContact CG-CB 4.11Å; W58-M85 HydrophobicContact CG-CG 4.11Å; W58-M85 HydrophobicContact CZ3-CE 4.08Å; W58-M85 HydrophobicContact CZ3-CG 4.41Å; W58-Y100 HydrophobicContact CB-CD2 4.43Å; W58-Y100 HydrophobicContact CB-CE2 3.69Å; W58-Y134 HydrophobicContact CH2-CD2 4.25Å; W58-Y134 AromaticContact CZ3-CD2 3.8Å; W58-Y134 HydrophobicContact CZ3-CD2 3.8Å; W58-Y134 HydrophobicContact CZ3-CE2 4.46Å; W58-D135 HydrophobicContact CH2-CB 4.45Å
59	Y	94	Very high	91.2	Very high	67 Å²	67	47.5 Å²	47.5	26%	0.263	25%	0.252	S	S	.	.	S	Bend	trans	-149	151.7	168.5	55.3	-94.4	0	0	0	108.7	P57 W64 Y100 V103	P57-Y59 VanDerWaalsContact C-N 3.33Å; P57-Y59 HydrophobicContact CB-CD1 4.24Å; P57-Y59 HydrophobicContact CB-CE1 3.6Å; P57-Y59 HydrophobicContact CG-CD1 4.32Å; P57-Y59 HydrophobicContact CG-CD2 4.36Å; P57-Y59 HydrophobicContact CG-CE1 3.88Å; P57-Y59 HydrophobicContact CG-CE2 3.94Å; P57-Y59 WeakPolarHBondContact O-CD1 3.4Å; P57-Y59 VanDerWaalsContact O-CE1 3.31Å; P57-Y59 WeakPolarHBondContact O-CE1 3.25Å; Y59-W64 AromaticContact CD2-CH2 3.4Å; Y59-W64 HydrophobicContact CD2-CH2 3.4Å; Y59-W64 VanDerWaalsContact CD2-CH2 3.4Å; Y59-W64 AromaticContact CD2-CZ3 3.55Å; Y59-W64 HydrophobicContact CD2-CZ3 3.55Å; Y59-W64 AromaticContact CE2-CH2 3.59Å; Y59-W64 HydrophobicContact CE2-CH2 3.59Å; Y59-W64 AromaticContact CE2-CZ3 3.7Å; Y59-W64 HydrophobicContact CE2-CZ3 3.7Å; Y59-W64 HydrophobicContact CG-CH2 4.07Å; Y59-Y100 HydrophobicContact CD1-CD2 4.32Å; Y59-Y100 HydrophobicContact CD1-CE2 4.31Å; Y59-V103 HydrophobicContact CD1-CG1 3.78Å; Y59-V103 HydrophobicContact CD2-CG1 4.38Å; Y59-V103 HydrophobicContact CE1-CG1 3.7Å; Y59-V103 HydrophobicContact CE2-CG1 4.31Å; Y59-V103 HydrophobicContact CG-CG1 4.13Å
60	Q	88.7	Confident	91	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.047	27%	0.271	C	S	.	.			trans	-73.8	141.8	-180	-59.1	-171.2	2.5	0	0	111	N51 V52 Q53 N62 A63	N51-Q60 WeakPolarHBondContact OD1-CG 3.15Å; N51-Q60 PolarHBondContact OD1-NE2 3.21Å; V52-Q60 PolarHBondContact O-NE2 3.06Å; Q53-Q60 HydrophobicContact CB-CG 4.26Å; Q60-N62 VanDerWaalsContact CB-OD1 3.27Å; Q60-N62 WeakPolarHBondContact CB-OD1 3.14Å; Q60-N62 PolarHBondContact O-N 3.39Å; Q60-N62 PolarHBondContact OE1-OD1 3.35Å; Q60-A63 VanDerWaalsContact O-CB 3.23Å; Q60-A63 WeakPolarHBondContact O-CB 3.45Å; Q60-A63 PolarHBondContact O-N 2.81Å; Q60-A63 VanDerWaalsContact O-N 3.15Å
61	G	83.4	Confident	90.6	Very high	77 Å²	77	52.9 Å²	52.9	79%	0.794	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.6	-179	0	0	0	0	0	114.1
62	N	82.7	Confident	90.3	Very high	65 Å²	65	52.6 Å²	52.6	35%	0.348	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5	177.6	62.9	-16.8	0	0	0	113.7	Q60 W64 N65 Q68	Q60-N62 VanDerWaalsContact CB-OD1 3.27Å; Q60-N62 WeakPolarHBondContact CB-OD1 3.14Å; Q60-N62 PolarHBondContact O-N 3.39Å; Q60-N62 PolarHBondContact OE1-OD1 3.35Å; N62-W64 PolarHBondContact O-N 2.59Å; N62-N65 VanDerWaalsContact O-CB 3.28Å; N62-N65 WeakPolarHBondContact O-CB 3.24Å; N62-N65 PolarHBondContact O-N 2.84Å; N62-Q68 PolarHBondContact ND2-OE1 2.9Å
63	A	82.2	Confident	90	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.3	-173.5	0	0	0	0	0	114.4	Q60 L107	Q60-A63 VanDerWaalsContact O-CB 3.23Å; Q60-A63 WeakPolarHBondContact O-CB 3.45Å; Q60-A63 PolarHBondContact O-N 2.81Å; Q60-A63 VanDerWaalsContact O-N 3.15Å; A63-L107 HydrophobicContact CB-CD1 3.83Å; A63-L107 HydrophobicContact CB-CD2 3.84Å; A63-L107 HydrophobicContact CB-CG 4.49Å; A63-L107 WeakPolarHBondContact O-CD1 3.2Å
64	W	88.8	Confident	89.7	Confident	94 Å²	94	59.9 Å²	59.9	36%	0.356	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.7	177.1	-64.3	-89.4	0	0	0	114.6	Y59 N62 I66 V103 L107 L110	Y59-W64 AromaticContact CD2-CH2 3.4Å; Y59-W64 HydrophobicContact CD2-CH2 3.4Å; Y59-W64 VanDerWaalsContact CD2-CH2 3.4Å; Y59-W64 AromaticContact CD2-CZ3 3.55Å; Y59-W64 HydrophobicContact CD2-CZ3 3.55Å; Y59-W64 AromaticContact CE2-CH2 3.59Å; Y59-W64 HydrophobicContact CE2-CH2 3.59Å; Y59-W64 AromaticContact CE2-CZ3 3.7Å; Y59-W64 HydrophobicContact CE2-CZ3 3.7Å; Y59-W64 HydrophobicContact CG-CH2 4.07Å; N62-W64 PolarHBondContact O-N 2.59Å; W64-I66 PolarHBondContact O-N 2.9Å; W64-V103 HydrophobicContact CH2-CG1 3.48Å; W64-V103 VanDerWaalsContact CH2-CG1 3.48Å; W64-V103 HydrophobicContact CZ2-CG1 3.5Å; W64-L107 HydrophobicContact CZ2-CB 4.47Å; W64-L110 HydrophobicContact CB-CD2 4.35Å; W64-L110 HydrophobicContact CG-CD2 4.46Å
65	N	89.9	Confident	89.3	Confident	63 Å²	63	60 Å²	60	34%	0.337	31%	0.312	S	S	.	.			trans	-68.8	98.3	179.1	-176	-19.6	0	0	0	109.9	N62 T67 Q68 I69	N62-N65 VanDerWaalsContact O-CB 3.28Å; N62-N65 WeakPolarHBondContact O-CB 3.24Å; N62-N65 PolarHBondContact O-N 2.84Å; N65-T67 VanDerWaalsContact C-N 3.25Å; N65-T67 PolarHBondContact O-N 3Å; N65-T67 WeakPolarHBondContact OD1-CB 3.31Å; N65-T67 PolarHBondContact OD1-N 3.14Å; N65-T67 VanDerWaalsContact OD1-N 3.12Å; N65-Q68 HydrophobicContact CB-CB 3.9Å; N65-Q68 WeakPolarHBondContact O-CB 3.21Å; N65-Q68 PolarHBondContact O-N 2.76Å; N65-Q68 VanDerWaalsContact O-N 3.07Å; N65-Q68 PolarHBondContact OD1-N 3.33Å; N65-I69 WeakPolarHBondContact O-CG1 3.41Å; N65-I69 PolarHBondContact O-N 3.33Å
66	I	91.1	Very high	89.1	Confident	86 Å²	86	56.8 Å²	56.8	44%	0.441	30%	0.3	S	S	.	.	H	α-helix	trans	-57.7	-39.7	-178.2	-63.8	175.2	0	0	0	111	W64 Q68 I69 Q70 L110	W64-I66 PolarHBondContact O-N 2.9Å; I66-Q68 VanDerWaalsContact C-N 3.31Å; I66-Q68 PolarHBondContact O-N 3.18Å; I66-I69 PolarHBondContact O-N 2.59Å; I66-Q70 HydrophobicContact CG2-CG 4.13Å; I66-Q70 WeakPolarHBondContact O-CB 3.32Å; I66-Q70 VanDerWaalsContact O-CG 3.29Å; I66-Q70 WeakPolarHBondContact O-CG 3.43Å; I66-Q70 PolarHBondContact O-N 2.92Å; I66-L110 HydrophobicContact CG1-CD1 4.38Å
67	T	89.2	Confident	89	Confident	88 Å²	88	50.2 Å²	50.2	54%	0.54	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-44.2	177.5	-52.9	0	0	0	0	111	N65 Q70 M71	N65-T67 VanDerWaalsContact C-N 3.25Å; N65-T67 PolarHBondContact O-N 3Å; N65-T67 WeakPolarHBondContact OD1-CB 3.31Å; N65-T67 PolarHBondContact OD1-N 3.14Å; N65-T67 VanDerWaalsContact OD1-N 3.12Å; T67-Q70 PolarHBondContact O-N 3.43Å; T67-M71 HydrophobicContact CG2-SD 4.41Å; T67-M71 VanDerWaalsContact O-CG 3.23Å; T67-M71 WeakPolarHBondContact O-CG 3.48Å; T67-M71 PolarHBondContact O-N 2.86Å
68	Q	87.9	Confident	89.1	Confident	14 Å²	14	49.8 Å²	49.8	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-42.9	176.1	166.9	168.4	20.8	0	0	112	N62 N65 I66 M71 F72 I394	N62-Q68 PolarHBondContact ND2-OE1 2.9Å; N65-Q68 HydrophobicContact CB-CB 3.9Å; N65-Q68 WeakPolarHBondContact O-CB 3.21Å; N65-Q68 PolarHBondContact O-N 2.76Å; N65-Q68 VanDerWaalsContact O-N 3.07Å; N65-Q68 PolarHBondContact OD1-N 3.33Å; I66-Q68 VanDerWaalsContact C-N 3.31Å; I66-Q68 PolarHBondContact O-N 3.18Å; Q68-M71 WeakPolarHBondContact O-CB 3.37Å; Q68-M71 PolarHBondContact O-N 3.01Å; Q68-F72 HydrophobicContact CG-CD2 4.16Å; Q68-F72 HydrophobicContact CG-CE1 4.14Å; Q68-F72 HydrophobicContact CG-CE2 3.39Å; Q68-F72 HydrophobicContact CG-CZ 3.42Å; Q68-F72 VanDerWaalsContact CG-CZ 3.42Å; Q68-F72 WeakPolarHBondContact O-CD2 3.13Å; Q68-F72 VanDerWaalsContact O-CG 3.26Å; Q68-F72 WeakPolarHBondContact O-CG 3.48Å; Q68-F72 PolarHBondContact O-N 3.01Å; Q68-I394 HydrophobicContact CB-CD1 3.62Å; Q68-I394 HydrophobicContact CG-CD1 3.42Å; Q68-I394 VanDerWaalsContact CG-CD1 3.42Å; Q68-I394 HydrophobicContact CG-CG1 4.48Å
69	I	89.7	Confident	89.1	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-41.6	178.4	-61.8	174	0	0	0	111.1	N65 I66 M71 F72 Q73 L110 Y111 H114 I116	N65-I69 WeakPolarHBondContact O-CG1 3.41Å; N65-I69 PolarHBondContact O-N 3.33Å; I66-I69 PolarHBondContact O-N 2.59Å; I69-M71 VanDerWaalsContact C-N 3.3Å; I69-M71 PolarHBondContact O-N 2.83Å; I69-F72 WeakPolarHBondContact O-CB 3.48Å; I69-F72 PolarHBondContact O-N 2.94Å; I69-Q73 PolarHBondContact O-N 2.94Å; I69-L110 HydrophobicContact CD1-CD2 3.37Å; I69-L110 HydrophobicContact CD1-CG 3.63Å; I69-Y111 HydrophobicContact CD1-CD1 4.17Å; I69-Y111 HydrophobicContact CD1-CE1 3.87Å; I69-Y111 HydrophobicContact CG1-CD1 4.48Å; I69-Y111 HydrophobicContact CG1-CE1 4.03Å; I69-Y111 HydrophobicContact CG2-CD1 4.29Å; I69-H114 HydrophobicContact CG2-CB 3.6Å; I69-H114 VanDerWaalsContact CG2-CG 3.44Å; I69-I116 HydrophobicContact CG2-CD1 3.94Å
70	Q	89.8	Confident	89.3	Confident	86 Å²	86	45.3 Å²	45.3	40%	0.402	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-36.8	173.6	-73.7	175.8	-16.3	0	0	111.7	I66 T67 Q73 N74	I66-Q70 HydrophobicContact CG2-CG 4.13Å; I66-Q70 WeakPolarHBondContact O-CB 3.32Å; I66-Q70 VanDerWaalsContact O-CG 3.29Å; I66-Q70 WeakPolarHBondContact O-CG 3.43Å; I66-Q70 PolarHBondContact O-N 2.92Å; T67-Q70 PolarHBondContact O-N 3.43Å; Q70-Q73 PolarHBondContact O-N 3.06Å; Q70-N74 WeakPolarHBondContact O-CB 3.48Å; Q70-N74 PolarHBondContact O-N 3.13Å; Q70-N74 PolarHBondContact O-ND2 3.09Å; Q70-N74 VanDerWaalsContact O-ND2 3.16Å
71	M	87.6	Confident	89.7	Confident	32 Å²	32	44.8 Å²	44.8	16%	0.158	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-46.8	171.8	-73.2	169.1	57.4	0	0	111.1	T67 Q68 I69 Q73 N74 W75 I394 P400	T67-M71 HydrophobicContact CG2-SD 4.41Å; T67-M71 VanDerWaalsContact O-CG 3.23Å; T67-M71 WeakPolarHBondContact O-CG 3.48Å; T67-M71 PolarHBondContact O-N 2.86Å; Q68-M71 WeakPolarHBondContact O-CB 3.37Å; Q68-M71 PolarHBondContact O-N 3.01Å; I69-M71 VanDerWaalsContact C-N 3.3Å; I69-M71 PolarHBondContact O-N 2.83Å; M71-Q73 VanDerWaalsContact C-N 3.34Å; M71-Q73 PolarHBondContact O-N 2.85Å; M71-N74 PolarHBondContact O-N 3.19Å; M71-W75 HydrophobicContact CB-CZ2 4.49Å; M71-W75 HydrophobicContact CE-CH2 4.14Å; M71-W75 HydrophobicContact CE-CZ2 3.67Å; M71-W75 PolarHBondContact O-N 2.62Å; M71-I394 HydrophobicContact CE-CD1 3.71Å; M71-I394 HydrophobicContact CE-CG1 4.25Å; M71-I394 HydrophobicContact SD-CD1 3.96Å; M71-P400 HydrophobicContact CE-CB 4.17Å; M71-P400 HydrophobicContact CE-CG 3.58Å
72	F	87.9	Confident	90.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-43.2	176.6	-59.4	-28.1	0	0	0	112.6	F49 Q68 I69 W75 G76 L77 F393 I394	F49-F72 HydrophobicContact CE1-CB 4.49Å; F49-F72 HydrophobicContact CE1-CD1 4.29Å; F49-F72 AromaticContact CE1-CD2 3.63Å; F49-F72 HydrophobicContact CE1-CD2 3.63Å; F49-F72 HydrophobicContact CE1-CE1 4.39Å; F49-F72 AromaticContact CE1-CE2 3.74Å; F49-F72 HydrophobicContact CE1-CE2 3.74Å; F49-F72 AromaticContact CE1-CG 3.91Å; F49-F72 HydrophobicContact CE1-CG 3.91Å; F49-F72 HydrophobicContact CE1-CZ 4.08Å; F49-F72 HydrophobicContact CE2-CE2 4.16Å; F49-F72 HydrophobicContact CE2-CZ 4.38Å; F49-F72 AromaticContact CZ-CD2 3.54Å; F49-F72 HydrophobicContact CZ-CD2 3.54Å; F49-F72 HydrophobicContact CZ-CE1 4.46Å; F49-F72 AromaticContact CZ-CE2 3.23Å; F49-F72 HydrophobicContact CZ-CE2 3.23Å; F49-F72 HydrophobicContact CZ-CG 4.26Å; F49-F72 AromaticContact CZ-CZ 3.72Å; F49-F72 HydrophobicContact CZ-CZ 3.72Å; Q68-F72 HydrophobicContact CG-CD2 4.16Å; Q68-F72 HydrophobicContact CG-CE1 4.14Å; Q68-F72 HydrophobicContact CG-CE2 3.39Å; Q68-F72 HydrophobicContact CG-CZ 3.42Å; Q68-F72 VanDerWaalsContact CG-CZ 3.42Å; Q68-F72 WeakPolarHBondContact O-CD2 3.13Å; Q68-F72 VanDerWaalsContact O-CG 3.26Å; Q68-F72 WeakPolarHBondContact O-CG 3.48Å; Q68-F72 PolarHBondContact O-N 3.01Å; I69-F72 WeakPolarHBondContact O-CB 3.48Å; I69-F72 PolarHBondContact O-N 2.94Å; F72-W75 AromaticContact CD1-CE3 3.95Å; F72-W75 HydrophobicContact CD1-CE3 3.95Å; F72-W75 AromaticContact CD1-CZ3 3.93Å; F72-W75 HydrophobicContact CD1-CZ3 3.93Å; F72-W75 HydrophobicContact CE1-CE3 4.45Å; F72-W75 AromaticContact CE1-CZ3 3.97Å; F72-W75 HydrophobicContact CE1-CZ3 3.97Å; F72-W75 WeakPolarHBondContact O-CB 3.19Å; F72-W75 PolarHBondContact O-N 2.77Å; F72-W75 VanDerWaalsContact O-N 3.17Å; F72-G76 PolarHBondContact O-N 2.92Å; F72-L77 HydrophobicContact CB-CB 4.35Å; F72-L77 HydrophobicContact CB-CD1 3.97Å; F72-L77 HydrophobicContact CD1-CD1 4.07Å; F72-L77 HydrophobicContact CG-CD1 4.24Å; F72-L77 WeakPolarHBondContact O-CB 3.49Å; F72-L77 PolarHBondContact O-N 2.88Å; F72-F393 HydrophobicContact CE1-CB 4.3Å; F72-F393 AromaticContact CE1-CD2 3.73Å; F72-F393 HydrophobicContact CE1-CD2 3.73Å; F72-F393 HydrophobicContact CE1-CG 4.48Å; F72-F393 HydrophobicContact CZ-CD2 4.14Å; F72-I394 HydrophobicContact CE1-CD1 4.44Å
73	Q	87.7	Confident	91.1	Very high	86 Å²	86	38.4 Å²	38.4	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-45.9	174.3	-172.7	-175.4	35.2	0	0	111.5	I69 Q70 M71 W75 G76 H114	I69-Q73 PolarHBondContact O-N 2.94Å; Q70-Q73 PolarHBondContact O-N 3.06Å; M71-Q73 VanDerWaalsContact C-N 3.34Å; M71-Q73 PolarHBondContact O-N 2.85Å; Q73-W75 PolarHBondContact O-N 3.04Å; Q73-G76 PolarHBondContact O-N 3.12Å; Q73-H114 PolarHBondContact NE2-O 3.48Å
74	N	88.5	Confident	91.9	Very high	114 Å²	114	38.2 Å²	38.2	61%	0.61	19%	0.194	S	C	*	.	H	α-helix	trans	-65.2	-24.7	177.3	-71.6	-26.8	0	0	0	112.8	Q70 M71 G76	Q70-N74 WeakPolarHBondContact O-CB 3.48Å; Q70-N74 PolarHBondContact O-N 3.13Å; Q70-N74 PolarHBondContact O-ND2 3.09Å; Q70-N74 VanDerWaalsContact O-ND2 3.16Å; M71-N74 PolarHBondContact O-N 3.19Å; N74-G76 PolarHBondContact O-N 3.16Å
75	W	87.3	Confident	92.3	Very high	51 Å²	51	33.7 Å²	33.7	19%	0.193	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.7	173	-63	-5.1	0	0	0	113.5	M71 F72 Q73 L77 F393 P400 V405 W416	M71-W75 HydrophobicContact CB-CZ2 4.49Å; M71-W75 HydrophobicContact CE-CH2 4.14Å; M71-W75 HydrophobicContact CE-CZ2 3.67Å; M71-W75 PolarHBondContact O-N 2.62Å; F72-W75 AromaticContact CD1-CE3 3.95Å; F72-W75 HydrophobicContact CD1-CE3 3.95Å; F72-W75 AromaticContact CD1-CZ3 3.93Å; F72-W75 HydrophobicContact CD1-CZ3 3.93Å; F72-W75 HydrophobicContact CE1-CE3 4.45Å; F72-W75 AromaticContact CE1-CZ3 3.97Å; F72-W75 HydrophobicContact CE1-CZ3 3.97Å; F72-W75 WeakPolarHBondContact O-CB 3.19Å; F72-W75 PolarHBondContact O-N 2.77Å; F72-W75 VanDerWaalsContact O-N 3.17Å; Q73-W75 PolarHBondContact O-N 3.04Å; W75-L77 VanDerWaalsContact C-N 3.31Å; W75-L77 HydrophobicContact CB-CG 4.24Å; W75-L77 HydrophobicContact CE3-CD1 4.19Å; W75-F393 HydrophobicContact CH2-CB 3.98Å; W75-F393 HydrophobicContact CZ3-CB 3.74Å; W75-F393 HydrophobicContact CZ3-CD2 4.3Å; W75-F393 HydrophobicContact CZ3-CG 4.05Å; W75-P400 HydrophobicContact CH2-CB 4.04Å; W75-P400 HydrophobicContact CZ2-CB 3.82Å; W75-P400 HydrophobicContact CZ2-CG 4.13Å; W75-V405 HydrophobicContact CH2-CG1 4.44Å; W75-V405 HydrophobicContact CH2-CG2 3.47Å; W75-V405 VanDerWaalsContact CH2-CG2 3.47Å; W75-V405 HydrophobicContact CZ2-CG1 4.3Å; W75-V405 HydrophobicContact CZ2-CG2 3.85Å; W75-V405 HydrophobicContact CZ3-CG2 4.04Å; W75-W416 VanDerWaalsContact CA-CZ3 3.48Å; W75-W416 HydrophobicContact CB-CE3 4.26Å; W75-W416 HydrophobicContact CB-CH2 4.24Å; W75-W416 HydrophobicContact CB-CZ3 3.5Å; W75-W416 AromaticContact CD1-CE3 3.73Å; W75-W416 AromaticContact CD1-CH2 3.1Å; W75-W416 AromaticContact CD1-CZ2 3.9Å; W75-W416 AromaticContact CD1-CZ3 3.02Å; W75-W416 HydrophobicContact CD2-CH2 4.01Å; W75-W416 HydrophobicContact CD2-CZ3 4.17Å; W75-W416 AromaticContact CE2-CH2 3.89Å; W75-W416 HydrophobicContact CG-CE3 4.22Å; W75-W416 AromaticContact CG-CH2 3.54Å; W75-W416 HydrophobicContact CG-CH2 3.54Å; W75-W416 AromaticContact CG-CZ3 3.28Å; W75-W416 HydrophobicContact CG-CZ3 3.28Å; W75-W416 AromaticContact NE1-CH2 3.3Å; W75-W416 VanDerWaalsContact NE1-CH2 3.3Å; W75-W416 AromaticContact NE1-CZ2 3.85Å; W75-W416 AromaticContact NE1-CZ3 3.77Å
76	G	89.4	Confident	92.7	Very high	19 Å²	19	30.7 Å²	30.7	20%	0.196	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	12.5	-178	0	0	0	0	0	113.8	F72 Q73 N74	F72-G76 PolarHBondContact O-N 2.92Å; Q73-G76 PolarHBondContact O-N 3.12Å; N74-G76 PolarHBondContact O-N 3.16Å
77	L	93	Very high	93.1	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.115	14%	0.144	C	C	.	.			trans	-73.3	131.3	174.8	-55.9	175.4	0	0	0	109.3	R47 F49 F72 W75	R47-L77 VanDerWaalsContact O-CA 3.31Å; R47-L77 WeakPolarHBondContact O-CA 3.35Å; F49-L77 HydrophobicContact CD1-CD1 3.91Å; F49-L77 HydrophobicContact CE1-CD1 4.08Å; F72-L77 HydrophobicContact CB-CB 4.35Å; F72-L77 HydrophobicContact CB-CD1 3.97Å; F72-L77 HydrophobicContact CD1-CD1 4.07Å; F72-L77 HydrophobicContact CG-CD1 4.24Å; F72-L77 WeakPolarHBondContact O-CB 3.49Å; F72-L77 PolarHBondContact O-N 2.88Å; W75-L77 VanDerWaalsContact C-N 3.31Å; W75-L77 HydrophobicContact CB-CG 4.24Å; W75-L77 HydrophobicContact CE3-CD1 4.19Å
78	N	95.7	Very high	93.5	Very high	33 Å²	33	23 Å²	23	18%	0.176	12%	0.119	C	C	.	.			trans	-131.7	6	-172.2	66.7	6.6	0	0	0	113.5	L45 F46 R47 Y117	L45-N78 PolarHBondContact O-ND2 2.97Å; F46-N78 WeakPolarHBondContact CA-OD1 3.23Å; R47-N78 PolarHBondContact N-OD1 2.89Å; R47-N78 PolarHBondContact O-N 3.08Å; R47-N78 PolarHBondContact O-OD1 3.33Å; N78-Y117 PolarHBondContact O-N 3.49Å
79	V	97.8	Very high	94	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.1	174.7	69.8	0	0	0	0	110.8	F46 G48 Y117 I119 L210 F351 T387	F46-V79 HydrophobicContact CB-CB 3.99Å; F46-V79 HydrophobicContact CB-CG1 3.74Å; F46-V79 HydrophobicContact CD1-CB 4.1Å; F46-V79 HydrophobicContact CG-CB 4.38Å; G48-V79 WeakPolarHBondContact CA-O 3.45Å; V79-Y117 CarbonylContact C-O 3.59Å; V79-Y117 VanDerWaalsContact CA-O 3.23Å; V79-Y117 WeakPolarHBondContact CA-O 3.31Å; V79-I119 HydrophobicContact CG2-CD1 4.07Å; V79-I119 HydrophobicContact CG2-CG1 4.08Å; V79-L210 HydrophobicContact CG2-CD2 4Å; V79-F351 HydrophobicContact CG1-CZ 4.1Å; V79-F351 HydrophobicContact CG2-CZ 4.48Å; V79-T387 HydrophobicContact CG1-CG2 3.71Å
80	I	96.6	Very high	94.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129	168.1	-67.5	172.3	0	0	0	108.2	F49 N51 L82 Y111 I116 Y117 V118 I119	F49-I80 HydrophobicContact CD1-CG1 4.26Å; F49-I80 HydrophobicContact CE1-CD1 3.88Å; F49-I80 HydrophobicContact CE1-CG1 3.69Å; F49-I80 HydrophobicContact CE2-CD1 4.35Å; F49-I80 HydrophobicContact CE2-CG1 4.33Å; F49-I80 HydrophobicContact CE2-CG2 4.43Å; F49-I80 HydrophobicContact CZ-CD1 3.56Å; F49-I80 HydrophobicContact CZ-CG1 3.72Å; F49-I80 WeakPolarHBondContact O-CA 3.25Å; N51-I80 HydrophobicContact CB-CG2 3.64Å; I80-L82 HydrophobicContact CG2-CB 4.3Å; I80-L82 PolarHBondContact O-N 3.5Å; I80-Y111 HydrophobicContact CD1-CD1 3.68Å; I80-Y111 HydrophobicContact CD1-CD2 4.33Å; I80-Y111 HydrophobicContact CD1-CE1 3.26Å; I80-Y111 HydrophobicContact CD1-CE2 3.93Å; I80-Y111 HydrophobicContact CD1-CG 4.21Å; I80-Y111 HydrophobicContact CG2-CE2 4.43Å; I80-I116 HydrophobicContact CB-CG2 4.36Å; I80-I116 HydrophobicContact CD1-CG2 3.86Å; I80-I116 HydrophobicContact CG1-CG2 3.79Å; I80-Y117 PolarHBondContact N-O 3.4Å; I80-V118 CarbonylContact O-C 3.58Å; I80-V118 VanDerWaalsContact O-CA 3.28Å; I80-V118 WeakPolarHBondContact O-CA 3.46Å; I80-I119 PolarHBondContact O-N 2.96Å
81	R	98.1	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	98.6	166.2	-177.8	164	175.4	-93.9	12	107.6	F49 N50 N51 I119 D121 D213 N216 E263 E354 T387	F49-R81 PolarHBondContact O-N 2.97Å; N50-R81 CarbonylContact C-O 3.44Å; N50-R81 WeakPolarHBondContact CA-O 3.13Å; N50-R81 WeakPolarHBondContact OD1-CB 3.17Å; N50-R81 VanDerWaalsContact OD1-CD 3.24Å; N50-R81 WeakPolarHBondContact OD1-CD 3.05Å; N50-R81 VanDerWaalsContact OD1-CG 3.31Å; N50-R81 WeakPolarHBondContact OD1-CG 3.44Å; N50-R81 PolarHBondContact OD1-NH1 2.92Å; N51-R81 PolarHBondContact N-O 3.16Å; R81-I119 CarbonylContact C-O 3.46Å; R81-I119 HydrophobicContact CB-CB 4.36Å; R81-I119 HydrophobicContact CG-CB 4.35Å; R81-I119 HydrophobicContact CG-CG2 4.37Å; R81-D121 HydrophobicContact CG-CB 3.76Å; R81-D121 IonicContact CZ-OD1 3.14Å; R81-D121 IonicContact CZ-OD2 3.98Å; R81-D121 VanDerWaalsContact CZ-OD2 3.22Å; R81-D121 IonicContact NE-OD2 3.9Å; R81-D121 IonicContact NH1-OD2 3.39Å; R81-D121 PolarHBondContact NH1-OD2 2.92Å; R81-D121 IonicContact NH2-OD1 2.66Å; R81-D121 PolarHBondContact NH2-OD1 3.03Å; R81-D121 IonicContact NH2-OD2 3.21Å; R81-D121 PolarHBondContact NH2-OD2 3.3Å; R81-D213 IonicContact CZ-OD2 3.02Å; R81-D213 IonicContact NE-OD2 2.77Å; R81-D213 PolarHBondContact NE-OD2 2.84Å; R81-D213 IonicContact NH2-OD2 3.26Å; R81-D213 PolarHBondContact NH2-OD2 3.24Å; R81-N216 PolarHBondContact NH2-OD1 2.75Å; R81-E263 IonicContact NH2-OE1 2.65Å; R81-E263 PolarHBondContact NH2-OE1 2.82Å; R81-E354 IonicContact CZ-OE1 3.63Å; R81-E354 IonicContact NH1-OE1 3.7Å; R81-E354 PolarHBondContact NH1-OE1 3.16Å; R81-E354 IonicContact NH2-OE1 2.86Å; R81-T387 HydrophobicContact CB-CG2 4.11Å
82	L	97.7	Very high	95.2	Very high	4 Å²	4	24 Å²	24	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.4	-171.3	180	63.7	0	0	0	109.6	N51 I80 I84 M104 L107 I108 Y111 V118 I119 L120 D121	N51-L82 HydrophobicContact CB-CD1 4.23Å; N51-L82 WeakPolarHBondContact O-CA 3.44Å; I80-L82 HydrophobicContact CG2-CB 4.3Å; I80-L82 PolarHBondContact O-N 3.5Å; L82-I84 PolarHBondContact O-N 3.12Å; L82-M104 HydrophobicContact CD1-CE 4Å; L82-M104 HydrophobicContact CD2-CE 3.66Å; L82-M104 HydrophobicContact CG-CE 3.67Å; L82-L107 HydrophobicContact CD1-CD2 3.76Å; L82-L107 HydrophobicContact CD2-CD2 4.11Å; L82-L107 HydrophobicContact CD2-CG 4.43Å; L82-I108 HydrophobicContact CD2-CG1 4.05Å; L82-Y111 HydrophobicContact CD1-CE2 4.42Å; L82-Y111 HydrophobicContact CD2-CE2 4.28Å; L82-V118 HydrophobicContact CD2-CG1 4.49Å; L82-I119 PolarHBondContact N-O 2.86Å; L82-L120 HydrophobicContact CB-CD2 4.44Å; L82-L120 HydrophobicContact CD2-CD2 4.19Å; L82-D121 PolarHBondContact O-N 3.26Å
83	G	97.8	Very high	95.5	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	126.8	177	0	0	0	0	0	111.6	N51 M104	N51-G83 PolarHBondContact O-N 2.71Å; G83-M104 VanDerWaalsContact O-CE 3.24Å; G83-M104 WeakPolarHBondContact O-CE 3.44Å
84	I	98.1	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.			trans	-122.8	99.7	171.7	-169.2	147.4	0	0	0	110.4	L82 V89 Y100 L120 D121 F195 I199 Y203	L82-I84 PolarHBondContact O-N 3.12Å; I84-V89 HydrophobicContact CG1-CG2 4.05Å; I84-Y100 WeakPolarHBondContact CA-OH 3.36Å; I84-Y100 HydrophobicContact CG1-CE1 4.17Å; I84-L120 HydrophobicContact CG2-CB 3.82Å; I84-D121 PolarHBondContact N-O 3.45Å; I84-F195 HydrophobicContact CG2-CZ 4.15Å; I84-F195 WeakPolarHBondContact O-CZ 3.39Å; I84-I199 HydrophobicContact CD1-CD1 3.33Å; I84-I199 HydrophobicContact CD1-CG1 4.23Å; I84-I199 HydrophobicContact CG1-CD1 3.94Å; I84-Y203 HydrophobicContact CD1-CD2 4.44Å; I84-Y203 HydrophobicContact CD1-CE2 3.65Å
85	M	98.2	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.			trans	-79.6	131.3	-165.7	-52.5	-52.8	-65.7	0	0	110.5	W58 S87 G88 V89 Y100 H123 Y134	W58-M85 HydrophobicContact CB-CB 4.08Å; W58-M85 HydrophobicContact CB-CG 3.73Å; W58-M85 HydrophobicContact CD2-CB 4.01Å; W58-M85 HydrophobicContact CD2-CG 4Å; W58-M85 HydrophobicContact CE3-CB 3.94Å; W58-M85 HydrophobicContact CE3-CE 4.14Å; W58-M85 HydrophobicContact CE3-CG 3.6Å; W58-M85 HydrophobicContact CG-CB 4.11Å; W58-M85 HydrophobicContact CG-CG 4.11Å; W58-M85 HydrophobicContact CZ3-CE 4.08Å; W58-M85 HydrophobicContact CZ3-CG 4.41Å; M85-S87 VanDerWaalsContact C-N 3.27Å; M85-S87 PolarHBondContact O-N 2.99Å; M85-G88 WeakPolarHBondContact O-CA 3.43Å; M85-G88 PolarHBondContact O-N 3.26Å; M85-V89 PolarHBondContact O-N 3.15Å; M85-Y100 PolarHBondContact N-OH 2.85Å; M85-Y100 VanDerWaalsContact N-OH 3.08Å; M85-H123 HydrophobicContact CE-CB 4.21Å; M85-H123 WeakPolarHBondContact CE-O 3.39Å; M85-H123 HydrophobicContact SD-CB 3.85Å; M85-Y134 HydrophobicContact CE-CD2 4.09Å; M85-Y134 HydrophobicContact CE-CE2 3.3Å
86	W	98.5	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-41.7	176.3	-171	-7.4	0	0	0	110.7	G88 V89 K90 M122 G136 I137 P138 L141 H191 W192 F195	W86-G88 PolarHBondContact O-N 3.38Å; W86-V89 PolarHBondContact O-N 3.32Å; W86-K90 PolarHBondContact O-N 3.26Å; W86-M122 HydrophobicContact CB-CG 4.33Å; W86-M122 HydrophobicContact CE3-CE 4.15Å; W86-M122 HydrophobicContact CE3-SD 3.78Å; W86-M122 HydrophobicContact CZ3-SD 4.46Å; W86-G136 WeakPolarHBondContact CB-O 3.39Å; W86-I137 HydrophobicContact CE3-CD1 3.78Å; W86-I137 HydrophobicContact CZ3-CD1 3.81Å; W86-I137 HydrophobicContact CZ3-CG2 4.29Å; W86-P138 HydrophobicContact CB-CG 4.13Å; W86-P138 HydrophobicContact CD2-CG 4Å; W86-P138 HydrophobicContact CG-CG 3.63Å; W86-L141 HydrophobicContact CH2-CD2 3.56Å; W86-L141 HydrophobicContact CZ2-CD2 3.84Å; W86-L141 HydrophobicContact CZ3-CD2 4.39Å; W86-H191 HydrophobicContact CZ2-CB 3.84Å; W86-H191 WeakPolarHBondContact CZ2-O 3.46Å; W86-W192 HydrophobicContact CE3-CG 4.47Å; W86-W192 VanDerWaalsContact CH2-CA 3.4Å; W86-W192 HydrophobicContact CH2-CB 3.4Å; W86-W192 AromaticContact CH2-CG 3.79Å; W86-W192 HydrophobicContact CH2-CG 3.79Å; W86-W192 VanDerWaalsContact CZ2-CA 3.47Å; W86-W192 HydrophobicContact CZ2-CB 4.03Å; W86-W192 VanDerWaalsContact CZ2-N 3.34Å; W86-W192 HydrophobicContact CZ3-CB 3.85Å; W86-W192 AromaticContact CZ3-CD1 3.82Å; W86-W192 HydrophobicContact CZ3-CD2 4.12Å; W86-W192 AromaticContact CZ3-CG 3.68Å; W86-W192 HydrophobicContact CZ3-CG 3.68Å; W86-F195 HydrophobicContact CB-CD2 3.99Å; W86-F195 HydrophobicContact CB-CE2 4.06Å; W86-F195 HydrophobicContact CB-CG 4.45Å; W86-F195 AromaticContact CD1-CD2 3.67Å; W86-F195 AromaticContact CD1-CG 3.92Å; W86-F195 HydrophobicContact CD2-CB 4.34Å; W86-F195 HydrophobicContact CD2-CG 4.42Å; W86-F195 HydrophobicContact CG-CB 4.22Å; W86-F195 AromaticContact CG-CD2 3.86Å; W86-F195 HydrophobicContact CG-CD2 3.86Å; W86-F195 HydrophobicContact CG-CE2 4.43Å; W86-F195 HydrophobicContact CG-CG 4.02Å
87	S	98.1	Very high	97.2	Very high	11 Å²	11	28 Å²	28	8%	0.077	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-25.6	172.6	-62.9	0	0	0	0	114	M85 P91 D135 P138	M85-S87 VanDerWaalsContact C-N 3.27Å; M85-S87 PolarHBondContact O-N 2.99Å; S87-P91 VanDerWaalsContact O-CA 3.3Å; S87-P91 WeakPolarHBondContact O-CA 3.38Å; S87-D135 WeakPolarHBondContact CB-O 3.08Å; S87-D135 WeakPolarHBondContact OG-CB 3.34Å; S87-D135 PolarHBondContact OG-O 2.93Å; S87-P138 WeakPolarHBondContact OG-CA 3.37Å
88	G	98	Very high	97.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-47.5	171.5	0	0	0	0	0	111.7	M85 W86 N97 Y100	M85-G88 WeakPolarHBondContact O-CA 3.43Å; M85-G88 PolarHBondContact O-N 3.26Å; W86-G88 PolarHBondContact O-N 3.38Å; G88-N97 WeakPolarHBondContact O-CB 3.44Å; G88-N97 PolarHBondContact O-ND2 2.83Å; G88-Y100 WeakPolarHBondContact O-CD1 3.38Å
89	V	98.6	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-74.1	-43.6	-178.8	179	0	0	0	0	112.6	I84 M85 W86 V96 N97 Y100 L101 F195 I198 I199	I84-V89 HydrophobicContact CG1-CG2 4.05Å; M85-V89 PolarHBondContact O-N 3.15Å; W86-V89 PolarHBondContact O-N 3.32Å; V89-V96 WeakPolarHBondContact O-CA 3.38Å; V89-N97 PolarHBondContact O-N 3.05Å; V89-Y100 HydrophobicContact CG2-CD1 3.96Å; V89-Y100 HydrophobicContact CG2-CE1 3.69Å; V89-L101 HydrophobicContact CG1-CD2 4.16Å; V89-L101 HydrophobicContact CG2-CD2 4.04Å; V89-F195 HydrophobicContact CB-CD2 3.78Å; V89-F195 HydrophobicContact CB-CE2 3.86Å; V89-F195 HydrophobicContact CG1-CD2 4.03Å; V89-F195 HydrophobicContact CG1-CE2 4.42Å; V89-F195 HydrophobicContact CG2-CD2 3.94Å; V89-F195 HydrophobicContact CG2-CE2 3.5Å; V89-F195 VanDerWaalsContact CG2-CE2 3.5Å; V89-I198 HydrophobicContact CG1-CB 4.31Å; V89-I198 HydrophobicContact CG1-CD1 4.22Å; V89-I198 HydrophobicContact CG1-CG2 3.79Å; V89-I199 HydrophobicContact CG1-CD1 4.5Å; V89-I199 HydrophobicContact CG2-CD1 3.85Å
90	K	98.1	Very high	97.6	Very high	14 Å²	14	34.5 Å²	34.5	6%	0.061	20%	0.204	C	C	.	.			trans	-128	77.4	-179.1	-71.2	-169.4	67.5	103.9	0	110.7	W86 N92 I93 I95 W140 I198	W86-K90 PolarHBondContact O-N 3.26Å; K90-N92 PolarHBondContact O-N 3.44Å; K90-N92 VanDerWaalsContact O-N 3.14Å; K90-I93 VanDerWaalsContact CE-O 3.3Å; K90-I93 WeakPolarHBondContact CE-O 3.07Å; K90-I93 PolarHBondContact NZ-O 2.91Å; K90-I95 WeakPolarHBondContact CA-O 3.31Å; K90-W140 HydrophobicContact CB-CZ2 4.38Å; K90-W140 PolarHBondContact O-NE1 3.39Å; K90-I198 HydrophobicContact CD-CD1 4.02Å; K90-I198 HydrophobicContact CG-CD1 4.1Å
91	P	97.5	Very high	97.6	Very high	65 Å²	65	34.7 Å²	34.7	42%	0.422	21%	0.205	S	C	.	.	S	Bend	trans	-64.1	-18.6	177	26.8	-35.7	0	0	0	112.9	S87 I95 N97	S87-P91 VanDerWaalsContact O-CA 3.3Å; S87-P91 WeakPolarHBondContact O-CA 3.38Å; P91-I95 HydrophobicContact CG-CG2 4.37Å; P91-N97 HydrophobicContact CG-CB 4.15Å
92	N	95.8	Very high	97.6	Very high	76 Å²	76	38.7 Å²	38.7	41%	0.406	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-143.8	160.6	173.6	-162	-47.8	0	0	0	109.6	K90 S94 I95	K90-N92 PolarHBondContact O-N 3.44Å; K90-N92 VanDerWaalsContact O-N 3.14Å; N92-S94 VanDerWaalsContact C-N 3.27Å; N92-S94 PolarHBondContact O-N 2.88Å; N92-I95 HydrophobicContact CB-CB 4.26Å; N92-I95 HydrophobicContact CB-CD1 4.19Å; N92-I95 HydrophobicContact CB-CG1 4.29Å; N92-I95 PolarHBondContact O-N 3.41Å
93	I	95.4	Very high	97.6	Very high	61 Å²	61	40 Å²	40	31%	0.313	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-41.1	-177.4	-166.9	169	0	0	0	112.8	K90 W140	K90-I93 VanDerWaalsContact CE-O 3.3Å; K90-I93 WeakPolarHBondContact CE-O 3.07Å; K90-I93 PolarHBondContact NZ-O 2.91Å; I93-W140 HydrophobicContact CB-CD2 4.15Å; I93-W140 HydrophobicContact CB-CE3 3.76Å; I93-W140 HydrophobicContact CB-CH2 4.33Å; I93-W140 HydrophobicContact CB-CZ3 3.86Å; I93-W140 HydrophobicContact CD1-CE3 4.35Å; I93-W140 HydrophobicContact CD1-CZ3 4.04Å; I93-W140 HydrophobicContact CG1-CE3 4.1Å; I93-W140 HydrophobicContact CG1-CH2 4.19Å; I93-W140 HydrophobicContact CG1-CZ3 3.72Å
94	S	94.8	Very high	97.6	Very high	106 Å²	106	39.9 Å²	39.9	74%	0.741	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.3	-174.8	-54.3	0	0	0	0	114.6	N92	N92-S94 VanDerWaalsContact C-N 3.27Å; N92-S94 PolarHBondContact O-N 2.88Å
95	I	96.9	Very high	97.6	Very high	93 Å²	93	42.2 Å²	42.2	48%	0.477	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-113.9	124.3	-173.2	-59.9	176.6	0	0	0	109.5	K90 P91 N92	K90-I95 WeakPolarHBondContact CA-O 3.31Å; P91-I95 HydrophobicContact CG-CG2 4.37Å; N92-I95 HydrophobicContact CB-CB 4.26Å; N92-I95 HydrophobicContact CB-CD1 4.19Å; N92-I95 HydrophobicContact CB-CG1 4.29Å; N92-I95 PolarHBondContact O-N 3.41Å
96	V	98.2	Very high	97.6	Very high	56 Å²	56	45.3 Å²	45.3	34%	0.339	27%	0.266	S	S	.	.			trans	-96.7	123.4	164.2	-178.5	0	0	0	0	107.6	V89 T98 L101 I198	V89-V96 WeakPolarHBondContact O-CA 3.38Å; V96-T98 PolarHBondContact O-N 3.35Å; V96-L101 HydrophobicContact CG1-CD1 3.62Å; V96-I198 HydrophobicContact CB-CD1 4.46Å; V96-I198 HydrophobicContact CG1-CD1 4.06Å; V96-I198 HydrophobicContact CG1-CG2 4.01Å; V96-I198 HydrophobicContact CG2-CD1 3.55Å; V96-I198 HydrophobicContact CG2-CG1 4.38Å
97	N	98.3	Very high	97.5	Very high	42 Å²	42	45.4 Å²	45.4	23%	0.225	27%	0.266	C	S	.	.			trans	-81.8	84.8	-179.5	-173.6	-6.4	0	0	0	110.4	G88 V89 P91 T99 Y100 L101	G88-N97 WeakPolarHBondContact O-CB 3.44Å; G88-N97 PolarHBondContact O-ND2 2.83Å; V89-N97 PolarHBondContact O-N 3.05Å; P91-N97 HydrophobicContact CG-CB 4.15Å; N97-T99 PolarHBondContact O-N 3.08Å; N97-T99 PolarHBondContact OD1-N 3.4Å; N97-Y100 VanDerWaalsContact CG-CB 3.48Å; N97-Y100 WeakPolarHBondContact ND2-CB 3.49Å; N97-Y100 PolarHBondContact O-N 2.9Å; N97-Y100 PolarHBondContact OD1-N 3.35Å; N97-Y100 VanDerWaalsContact OD1-N 3.08Å; N97-L101 PolarHBondContact O-N 2.98Å; N97-L101 VanDerWaalsContact O-N 3.11Å
98	T	97.9	Very high	97.4	Very high	87 Å²	87	44.9 Å²	44.9	53%	0.534	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-29.4	179.4	54.6	0	0	0	0	112.7	V96 L101 N102	V96-T98 PolarHBondContact O-N 3.35Å; T98-L101 PolarHBondContact O-N 3.33Å; T98-N102 WeakPolarHBondContact O-CB 3.48Å; T98-N102 PolarHBondContact O-N 2.89Å; T98-N102 PolarHBondContact O-ND2 3.25Å; T98-N102 PolarHBondContact O-OD1 2.91Å
99	T	97.8	Very high	97.4	Very high	98 Å²	98	47.5 Å²	47.5	60%	0.601	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-48.8	175	-55.5	0	0	0	0	110.9	N97 L101 N102 V103	N97-T99 PolarHBondContact O-N 3.08Å; N97-T99 PolarHBondContact OD1-N 3.4Å; T99-L101 PolarHBondContact O-N 2.9Å; T99-N102 PolarHBondContact O-N 3.03Å; T99-V103 VanDerWaalsContact O-CG2 3.3Å; T99-V103 WeakPolarHBondContact O-CG2 3.3Å; T99-V103 PolarHBondContact O-N 3.17Å
100	Y	98	Very high	97.2	Very high	6 Å²	6	48.4 Å²	48.4	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-45.1	175.1	174.8	-106.2	0	0	0	111.7	W58 Y59 I84 M85 G88 V89 N97 N102 V103 M104	W58-Y100 HydrophobicContact CB-CD2 4.43Å; W58-Y100 HydrophobicContact CB-CE2 3.69Å; Y59-Y100 HydrophobicContact CD1-CD2 4.32Å; Y59-Y100 HydrophobicContact CD1-CE2 4.31Å; I84-Y100 WeakPolarHBondContact CA-OH 3.36Å; I84-Y100 HydrophobicContact CG1-CE1 4.17Å; M85-Y100 PolarHBondContact N-OH 2.85Å; M85-Y100 VanDerWaalsContact N-OH 3.08Å; G88-Y100 WeakPolarHBondContact O-CD1 3.38Å; V89-Y100 HydrophobicContact CG2-CD1 3.96Å; V89-Y100 HydrophobicContact CG2-CE1 3.69Å; N97-Y100 VanDerWaalsContact CG-CB 3.48Å; N97-Y100 WeakPolarHBondContact ND2-CB 3.49Å; N97-Y100 PolarHBondContact O-N 2.9Å; N97-Y100 PolarHBondContact OD1-N 3.35Å; N97-Y100 VanDerWaalsContact OD1-N 3.08Å; Y100-N102 VanDerWaalsContact C-N 3.32Å; Y100-N102 PolarHBondContact O-N 2.93Å; Y100-V103 PolarHBondContact O-N 2.92Å; Y100-M104 HydrophobicContact CD1-CG 4.3Å; Y100-M104 HydrophobicContact CD2-CG 4.15Å; Y100-M104 HydrophobicContact CE1-CG 3.89Å; Y100-M104 HydrophobicContact CE2-CG 3.7Å; Y100-M104 HydrophobicContact CE2-SD 3.78Å; Y100-M104 HydrophobicContact CG-CG 4.42Å; Y100-M104 WeakPolarHBondContact O-CG 3.19Å; Y100-M104 PolarHBondContact O-N 2.65Å
101	L	98.5	Very high	97.1	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-40	178.1	-68.2	171.5	0	0	0	112.7	V89 V96 N97 T98 T99 E105 I198 I199 Y203	V89-L101 HydrophobicContact CG1-CD2 4.16Å; V89-L101 HydrophobicContact CG2-CD2 4.04Å; V96-L101 HydrophobicContact CG1-CD1 3.62Å; N97-L101 PolarHBondContact O-N 2.98Å; N97-L101 VanDerWaalsContact O-N 3.11Å; T98-L101 PolarHBondContact O-N 3.33Å; T99-L101 PolarHBondContact O-N 2.9Å; L101-E105 WeakPolarHBondContact O-CB 3.23Å; L101-E105 PolarHBondContact O-N 3.02Å; L101-I198 HydrophobicContact CD1-CG2 3.56Å; L101-I198 HydrophobicContact CD2-CG2 4.15Å; L101-I199 HydrophobicContact CD2-CD1 3.91Å; L101-Y203 VanDerWaalsContact CA-OH 3.32Å; L101-Y203 WeakPolarHBondContact CA-OH 3.38Å; L101-Y203 HydrophobicContact CD2-CE2 4.4Å; L101-Y203 PolarHBondContact O-OH 3.06Å
102	N	98	Very high	96.9	Very high	84 Å²	84	46.2 Å²	46.2	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-70.7	-35.4	177.9	-67.8	-9.3	0	0	0	112.4	T98 T99 Y100 E105 S106	T98-N102 WeakPolarHBondContact O-CB 3.48Å; T98-N102 PolarHBondContact O-N 2.89Å; T98-N102 PolarHBondContact O-ND2 3.25Å; T98-N102 PolarHBondContact O-OD1 2.91Å; T99-N102 PolarHBondContact O-N 3.03Å; Y100-N102 VanDerWaalsContact C-N 3.32Å; Y100-N102 PolarHBondContact O-N 2.93Å; N102-E105 WeakPolarHBondContact O-CB 3.38Å; N102-E105 PolarHBondContact O-N 2.91Å; N102-S106 PolarHBondContact O-N 3.33Å; N102-S106 PolarHBondContact O-OG 2.91Å
103	V	97.2	Very high	96.9	Very high	32 Å²	32	49.1 Å²	49.1	19%	0.194	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-49	174	168	0	0	0	0	110.4	Y59 W64 T99 Y100 E105 S106 L107	Y59-V103 HydrophobicContact CD1-CG1 3.78Å; Y59-V103 HydrophobicContact CD2-CG1 4.38Å; Y59-V103 HydrophobicContact CE1-CG1 3.7Å; Y59-V103 HydrophobicContact CE2-CG1 4.31Å; Y59-V103 HydrophobicContact CG-CG1 4.13Å; W64-V103 HydrophobicContact CH2-CG1 3.48Å; W64-V103 VanDerWaalsContact CH2-CG1 3.48Å; W64-V103 HydrophobicContact CZ2-CG1 3.5Å; T99-V103 VanDerWaalsContact O-CG2 3.3Å; T99-V103 WeakPolarHBondContact O-CG2 3.3Å; T99-V103 PolarHBondContact O-N 3.17Å; Y100-V103 PolarHBondContact O-N 2.92Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 PolarHBondContact O-N 2.96Å; V103-S106 PolarHBondContact O-N 3.26Å; V103-L107 PolarHBondContact O-N 2.98Å; V103-L107 VanDerWaalsContact O-N 3.15Å
104	M	98.1	Very high	96.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-38.6	176	-63.5	-54.2	-70.9	0	0	111.7	L82 G83 Y100 S106 L107 I108 Y203	L82-M104 HydrophobicContact CD1-CE 4Å; L82-M104 HydrophobicContact CD2-CE 3.66Å; L82-M104 HydrophobicContact CG-CE 3.67Å; G83-M104 VanDerWaalsContact O-CE 3.24Å; G83-M104 WeakPolarHBondContact O-CE 3.44Å; Y100-M104 HydrophobicContact CD1-CG 4.3Å; Y100-M104 HydrophobicContact CD2-CG 4.15Å; Y100-M104 HydrophobicContact CE1-CG 3.89Å; Y100-M104 HydrophobicContact CE2-CG 3.7Å; Y100-M104 HydrophobicContact CE2-SD 3.78Å; Y100-M104 HydrophobicContact CG-CG 4.42Å; Y100-M104 WeakPolarHBondContact O-CG 3.19Å; Y100-M104 PolarHBondContact O-N 2.65Å; M104-S106 VanDerWaalsContact C-N 3.32Å; M104-S106 PolarHBondContact O-N 3.18Å; M104-L107 PolarHBondContact O-N 3.05Å; M104-I108 WeakPolarHBondContact O-CD1 3.13Å; M104-I108 WeakPolarHBondContact O-CG1 3.44Å; M104-I108 PolarHBondContact O-N 3.27Å; M104-Y203 WeakPolarHBondContact CB-OH 3.49Å
105	E	98.1	Very high	96.7	Very high	48 Å²	48	43.6 Å²	43.6	22%	0.224	25%	0.251	C	S	.	.	H	α-helix	trans	-55.1	-48.2	173.4	178.5	144.5	-141.4	0	0	111.8	L101 N102 V103 L107 I108 D109 Q202 Y203 K206	L101-E105 WeakPolarHBondContact O-CB 3.23Å; L101-E105 PolarHBondContact O-N 3.02Å; N102-E105 WeakPolarHBondContact O-CB 3.38Å; N102-E105 PolarHBondContact O-N 2.91Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 PolarHBondContact O-N 2.96Å; E105-L107 VanDerWaalsContact C-N 3.28Å; E105-L107 PolarHBondContact O-N 3.06Å; E105-I108 PolarHBondContact O-N 2.92Å; E105-D109 PolarHBondContact O-N 3.47Å; E105-Q202 PolarHBondContact OE2-NE2 2.82Å; E105-Y203 HydrophobicContact CB-CE1 3.85Å; E105-Y203 HydrophobicContact CG-CE1 4.49Å; E105-K206 WeakPolarHBondContact OE1-CE 3.47Å; E105-K206 IonicContact OE1-NZ 2.63Å; E105-K206 PolarHBondContact OE1-NZ 3Å
106	S	97.1	Very high	96.6	Very high	65 Å²	65	39.2 Å²	39.2	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-36.7	-178.1	-55.7	0	0	0	0	111.5	N102 V103 M104 L110	N102-S106 PolarHBondContact O-N 3.33Å; N102-S106 PolarHBondContact O-OG 2.91Å; V103-S106 PolarHBondContact O-N 3.26Å; M104-S106 VanDerWaalsContact C-N 3.32Å; M104-S106 PolarHBondContact O-N 3.18Å; S106-L110 WeakPolarHBondContact O-CB 3.38Å; S106-L110 PolarHBondContact O-N 2.98Å
107	L	96.3	Very high	96.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-42.2	174.9	-177.2	59.1	0	0	0	112.2	A63 W64 L82 V103 M104 E105 D109 L110 Y111	A63-L107 HydrophobicContact CB-CD1 3.83Å; A63-L107 HydrophobicContact CB-CD2 3.84Å; A63-L107 HydrophobicContact CB-CG 4.49Å; A63-L107 WeakPolarHBondContact O-CD1 3.2Å; W64-L107 HydrophobicContact CZ2-CB 4.47Å; L82-L107 HydrophobicContact CD1-CD2 3.76Å; L82-L107 HydrophobicContact CD2-CD2 4.11Å; L82-L107 HydrophobicContact CD2-CG 4.43Å; V103-L107 PolarHBondContact O-N 2.98Å; V103-L107 VanDerWaalsContact O-N 3.15Å; M104-L107 PolarHBondContact O-N 3.05Å; E105-L107 VanDerWaalsContact C-N 3.28Å; E105-L107 PolarHBondContact O-N 3.06Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.38Å; L107-L110 PolarHBondContact O-N 3.39Å; L107-Y111 HydrophobicContact CD1-CD2 4.31Å; L107-Y111 HydrophobicContact CD1-CE1 4.22Å; L107-Y111 HydrophobicContact CD1-CE2 3.68Å; L107-Y111 HydrophobicContact CD2-CE2 4.08Å; L107-Y111 HydrophobicContact CG-CD2 4.11Å; L107-Y111 HydrophobicContact CG-CE2 3.54Å; L107-Y111 VanDerWaalsContact O-CD2 3.26Å; L107-Y111 WeakPolarHBondContact O-CD2 3.47Å; L107-Y111 PolarHBondContact O-N 2.97Å
108	I	97.4	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-42.6	175.5	-66.1	164.4	0	0	0	110.4	L82 M104 E105 Y111 A112 V118 L120 Y203 K206 N208 V209	L82-I108 HydrophobicContact CD2-CG1 4.05Å; M104-I108 WeakPolarHBondContact O-CD1 3.13Å; M104-I108 WeakPolarHBondContact O-CG1 3.44Å; M104-I108 PolarHBondContact O-N 3.27Å; E105-I108 PolarHBondContact O-N 2.92Å; I108-Y111 PolarHBondContact O-N 3.39Å; I108-A112 PolarHBondContact O-N 2.92Å; I108-V118 HydrophobicContact CG1-CG2 4.17Å; I108-V118 HydrophobicContact CG2-CG2 3.91Å; I108-L120 HydrophobicContact CD1-CD1 4.32Å; I108-L120 HydrophobicContact CD1-CD2 3.87Å; I108-L120 HydrophobicContact CG1-CD2 4.29Å; I108-Y203 HydrophobicContact CD1-CD1 3.91Å; I108-Y203 HydrophobicContact CD1-CD2 4.06Å; I108-Y203 HydrophobicContact CD1-CE1 3.95Å; I108-Y203 HydrophobicContact CD1-CE2 4.1Å; I108-Y203 HydrophobicContact CD1-CG 3.98Å; I108-K206 HydrophobicContact CB-CD 4.37Å; I108-K206 HydrophobicContact CG2-CD 3.62Å; I108-N208 PolarHBondContact O-ND2 2.93Å; I108-V209 HydrophobicContact CG2-CG2 3.85Å
109	D	96.6	Very high	96.6	Very high	57 Å²	57	31 Å²	31	31%	0.305	18%	0.179	S	C	.	.	H	α-helix	trans	-67.2	-41.1	178.3	-70.2	-24.2	0	0	0	111.4	E105 L107 Y111 A112 E113 K206	E105-D109 PolarHBondContact O-N 3.47Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.38Å; D109-Y111 VanDerWaalsContact C-N 3.31Å; D109-Y111 PolarHBondContact O-N 3.3Å; D109-A112 WeakPolarHBondContact O-CA 3.18Å; D109-A112 VanDerWaalsContact O-CB 3.25Å; D109-A112 WeakPolarHBondContact O-CB 3.29Å; D109-A112 PolarHBondContact O-N 3.42Å; D109-E113 WeakPolarHBondContact O-CG 3.49Å; D109-E113 PolarHBondContact O-N 2.92Å; D109-K206 WeakPolarHBondContact OD1-CE 3.29Å; D109-K206 IonicContact OD1-NZ 3.43Å; D109-K206 PolarHBondContact OD1-NZ 3.04Å; D109-K206 IonicContact OD2-NZ 3.49Å; D109-K206 PolarHBondContact OD2-NZ 2.79Å
110	L	95.2	Very high	96.7	Very high	18 Å²	18	26.3 Å²	26.3	9%	0.094	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-39.9	174.9	-178	61.3	0	0	0	112.4	W64 I66 I69 S106 L107 A112 E113 H114	W64-L110 HydrophobicContact CB-CD2 4.35Å; W64-L110 HydrophobicContact CG-CD2 4.46Å; I66-L110 HydrophobicContact CG1-CD1 4.38Å; I69-L110 HydrophobicContact CD1-CD2 3.37Å; I69-L110 HydrophobicContact CD1-CG 3.63Å; S106-L110 WeakPolarHBondContact O-CB 3.38Å; S106-L110 PolarHBondContact O-N 2.98Å; L107-L110 PolarHBondContact O-N 3.39Å; L110-A112 VanDerWaalsContact C-N 3.35Å; L110-E113 PolarHBondContact O-N 3.41Å; L110-H114 PolarHBondContact O-N 3.16Å; L110-H114 PolarHBondContact O-ND1 3.45Å
111	Y	95.2	Very high	96.7	Very high	3 Å²	3	26 Å²	26	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-37.8	172.3	-68.5	-40	0	0	0	112.2	N51 I69 I80 L82 L107 I108 D109 E113 H114 G115 I116 V118	N51-Y111 PolarHBondContact ND2-OH 3.17Å; I69-Y111 HydrophobicContact CD1-CD1 4.17Å; I69-Y111 HydrophobicContact CD1-CE1 3.87Å; I69-Y111 HydrophobicContact CG1-CD1 4.48Å; I69-Y111 HydrophobicContact CG1-CE1 4.03Å; I69-Y111 HydrophobicContact CG2-CD1 4.29Å; I80-Y111 HydrophobicContact CD1-CD1 3.68Å; I80-Y111 HydrophobicContact CD1-CD2 4.33Å; I80-Y111 HydrophobicContact CD1-CE1 3.26Å; I80-Y111 HydrophobicContact CD1-CE2 3.93Å; I80-Y111 HydrophobicContact CD1-CG 4.21Å; I80-Y111 HydrophobicContact CG2-CE2 4.43Å; L82-Y111 HydrophobicContact CD1-CE2 4.42Å; L82-Y111 HydrophobicContact CD2-CE2 4.28Å; L107-Y111 HydrophobicContact CD1-CD2 4.31Å; L107-Y111 HydrophobicContact CD1-CE1 4.22Å; L107-Y111 HydrophobicContact CD1-CE2 3.68Å; L107-Y111 HydrophobicContact CD2-CE2 4.08Å; L107-Y111 HydrophobicContact CG-CD2 4.11Å; L107-Y111 HydrophobicContact CG-CE2 3.54Å; L107-Y111 VanDerWaalsContact O-CD2 3.26Å; L107-Y111 WeakPolarHBondContact O-CD2 3.47Å; L107-Y111 PolarHBondContact O-N 2.97Å; I108-Y111 PolarHBondContact O-N 3.39Å; D109-Y111 VanDerWaalsContact C-N 3.31Å; D109-Y111 PolarHBondContact O-N 3.3Å; Y111-E113 VanDerWaalsContact C-N 3.34Å; Y111-E113 PolarHBondContact O-N 3.18Å; Y111-H114 CarbonylContact O-C 3.44Å; Y111-H114 PolarHBondContact O-N 2.88Å; Y111-H114 VanDerWaalsContact O-N 3.15Å; Y111-G115 PolarHBondContact O-N 2.86Å; Y111-I116 CarbonylContact C-O 3.5Å; Y111-I116 HydrophobicContact CD1-CD1 4.4Å; Y111-I116 HydrophobicContact CD1-CG2 4.44Å; Y111-I116 HydrophobicContact CG-CG2 4.38Å; Y111-I116 WeakPolarHBondContact O-CB 3.36Å; Y111-I116 PolarHBondContact O-N 3.1Å; Y111-V118 HydrophobicContact CD2-CG1 3.54Å; Y111-V118 HydrophobicContact CE2-CG1 4.36Å; Y111-V118 HydrophobicContact CG-CG1 4.22Å
112	A	95.2	Very high	96.7	Very high	30 Å²	30	25.8 Å²	25.8	25%	0.248	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-43.2	175.6	0	0	0	0	0	112.1	I108 D109 L110 H114 G115 N208	I108-A112 PolarHBondContact O-N 2.92Å; D109-A112 WeakPolarHBondContact O-CA 3.18Å; D109-A112 VanDerWaalsContact O-CB 3.25Å; D109-A112 WeakPolarHBondContact O-CB 3.29Å; D109-A112 PolarHBondContact O-N 3.42Å; L110-A112 VanDerWaalsContact C-N 3.35Å; A112-H114 PolarHBondContact O-N 3.1Å; A112-G115 PolarHBondContact O-N 3.42Å; A112-N208 HydrophobicContact CB-CB 3.88Å; A112-N208 VanDerWaalsContact CB-CG 3.48Å; A112-N208 WeakPolarHBondContact CB-ND2 3.24Å; A112-N208 PolarHBondContact N-ND2 2.76Å
113	E	93.8	Very high	96.7	Very high	138 Å²	138	21.9 Å²	21.9	65%	0.645	13%	0.126	S	C	*	.	H	α-helix	trans	-59.6	-27.5	177.1	-70.6	174.1	-172.8	0	0	112.8	D109 L110 Y111	D109-E113 WeakPolarHBondContact O-CG 3.49Å; D109-E113 PolarHBondContact O-N 2.92Å; L110-E113 PolarHBondContact O-N 3.41Å; Y111-E113 VanDerWaalsContact C-N 3.34Å; Y111-E113 PolarHBondContact O-N 3.18Å
114	H	93	Very high	96.7	Very high	20 Å²	20	20.3 Å²	20.3	9%	0.093	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	12.6	178.4	-64.9	80	0	0	0	113.1	I69 Q73 L110 Y111 A112 I116	I69-H114 HydrophobicContact CG2-CB 3.6Å; I69-H114 VanDerWaalsContact CG2-CG 3.44Å; Q73-H114 PolarHBondContact NE2-O 3.48Å; L110-H114 PolarHBondContact O-N 3.16Å; L110-H114 PolarHBondContact O-ND1 3.45Å; Y111-H114 CarbonylContact O-C 3.44Å; Y111-H114 PolarHBondContact O-N 2.88Å; Y111-H114 VanDerWaalsContact O-N 3.15Å; A112-H114 PolarHBondContact O-N 3.1Å; H114-I116 VanDerWaalsContact C-N 3.3Å; H114-I116 HydrophobicContact CB-CD1 4.32Å; H114-I116 PolarHBondContact O-N 3.1Å
115	G	93.4	Very high	96.6	Very high	30 Å²	30	21 Å²	21	31%	0.309	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	21.7	176.6	0	0	0	0	0	114.3	Y111 A112	Y111-G115 PolarHBondContact O-N 2.86Å; A112-G115 PolarHBondContact O-N 3.42Å
116	I	95.5	Very high	96.4	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	11%	0.11	C	C	.	.			trans	-103.5	126.8	-178.1	-62.5	170	0	0	0	110.1	I69 I80 Y111 H114 N208	I69-I116 HydrophobicContact CG2-CD1 3.94Å; I80-I116 HydrophobicContact CB-CG2 4.36Å; I80-I116 HydrophobicContact CD1-CG2 3.86Å; I80-I116 HydrophobicContact CG1-CG2 3.79Å; Y111-I116 CarbonylContact C-O 3.5Å; Y111-I116 HydrophobicContact CD1-CD1 4.4Å; Y111-I116 HydrophobicContact CD1-CG2 4.44Å; Y111-I116 HydrophobicContact CG-CG2 4.38Å; Y111-I116 WeakPolarHBondContact O-CB 3.36Å; Y111-I116 PolarHBondContact O-N 3.1Å; H114-I116 VanDerWaalsContact C-N 3.3Å; H114-I116 HydrophobicContact CB-CD1 4.32Å; H114-I116 PolarHBondContact O-N 3.1Å; I116-N208 PolarHBondContact O-ND2 2.86Å
117	Y	98.1	Very high	96.3	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.047	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	156.6	170.4	-73.9	-93.1	0	0	0	111.5	L25 S26 I28 F46 N78 V79 I80 N208 L210	L25-Y117 HydrophobicContact CB-CE1 4.25Å; L25-Y117 HydrophobicContact CB-CE2 4.47Å; L25-Y117 HydrophobicContact CD1-CD2 4.23Å; L25-Y117 HydrophobicContact CD1-CE2 4.19Å; L25-Y117 HydrophobicContact CD1-CG 4.48Å; L25-Y117 HydrophobicContact CD2-CD2 4.31Å; L25-Y117 HydrophobicContact CD2-CE2 3.59Å; L25-Y117 HydrophobicContact CG-CE2 4.29Å; S26-Y117 PolarHBondContact N-OH 2.91Å; S26-Y117 WeakPolarHBondContact O-CE1 3.42Å; S26-Y117 PolarHBondContact O-OH 3.29Å; I28-Y117 HydrophobicContact CD1-CE1 4.14Å; I28-Y117 HydrophobicContact CG1-CD1 4.22Å; I28-Y117 HydrophobicContact CG1-CE1 3.57Å; F46-Y117 HydrophobicContact CD1-CD2 4.32Å; F46-Y117 AromaticContact CE1-CD2 3.53Å; F46-Y117 HydrophobicContact CE1-CD2 3.53Å; F46-Y117 AromaticContact CE1-CE2 3.91Å; F46-Y117 HydrophobicContact CE1-CE2 3.91Å; F46-Y117 AromaticContact CE1-CG 3.95Å; F46-Y117 HydrophobicContact CE1-CG 3.95Å; F46-Y117 HydrophobicContact CZ-CD2 4.41Å; N78-Y117 PolarHBondContact O-N 3.49Å; V79-Y117 CarbonylContact C-O 3.59Å; V79-Y117 VanDerWaalsContact CA-O 3.23Å; V79-Y117 WeakPolarHBondContact CA-O 3.31Å; I80-Y117 PolarHBondContact N-O 3.4Å; Y117-N208 CarbonylContact C-O 3.46Å; Y117-N208 VanDerWaalsContact CA-O 3.22Å; Y117-N208 WeakPolarHBondContact CA-O 3.07Å; Y117-N208 HydrophobicContact CD1-CB 4.49Å; Y117-N208 VanDerWaalsContact CD1-O 3.32Å; Y117-N208 WeakPolarHBondContact CD1-O 3.35Å; Y117-L210 HydrophobicContact CD1-CB 4.2Å
118	V	98.4	Very high	96.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.3	173.9	-60.7	0	0	0	0	111.7	I80 L82 I108 Y111 L120 N208 V209 L210	I80-V118 CarbonylContact O-C 3.58Å; I80-V118 VanDerWaalsContact O-CA 3.28Å; I80-V118 WeakPolarHBondContact O-CA 3.46Å; L82-V118 HydrophobicContact CD2-CG1 4.49Å; I108-V118 HydrophobicContact CG1-CG2 4.17Å; I108-V118 HydrophobicContact CG2-CG2 3.91Å; Y111-V118 HydrophobicContact CD2-CG1 3.54Å; Y111-V118 HydrophobicContact CE2-CG1 4.36Å; Y111-V118 HydrophobicContact CG-CG1 4.22Å; V118-L120 HydrophobicContact CB-CD2 4.39Å; V118-L120 HydrophobicContact CG2-CD2 4.02Å; V118-L120 HydrophobicContact CG2-CG 4.49Å; V118-N208 PolarHBondContact N-O 2.93Å; V118-V209 HydrophobicContact CG2-CB 4.23Å; V118-V209 HydrophobicContact CG2-CG2 3.75Å; V118-L210 WeakPolarHBondContact O-CB 3.39Å; V118-L210 PolarHBondContact O-N 2.83Å
119	I	98.8	Very high	96.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.2	161.4	-59	165.7	0	0	0	105.7	V79 I80 R81 L82 D121 L210 D213 F261 F351	V79-I119 HydrophobicContact CG2-CD1 4.07Å; V79-I119 HydrophobicContact CG2-CG1 4.08Å; I80-I119 PolarHBondContact O-N 2.96Å; R81-I119 CarbonylContact C-O 3.46Å; R81-I119 HydrophobicContact CB-CB 4.36Å; R81-I119 HydrophobicContact CG-CB 4.35Å; R81-I119 HydrophobicContact CG-CG2 4.37Å; L82-I119 PolarHBondContact N-O 2.86Å; I119-D121 PolarHBondContact O-N 2.97Å; I119-L210 HydrophobicContact CD1-CD2 4.19Å; I119-L210 HydrophobicContact CG1-CB 4.29Å; I119-L210 HydrophobicContact CG1-CD2 3.88Å; I119-L210 HydrophobicContact CG1-CG 4.33Å; I119-D213 HydrophobicContact CG2-CB 4.02Å; I119-F261 HydrophobicContact CD1-CD1 4.31Å; I119-F261 HydrophobicContact CD1-CE1 3.59Å; I119-F261 HydrophobicContact CD1-CZ 3.74Å; I119-F261 HydrophobicContact CG1-CE1 4.19Å; I119-F261 HydrophobicContact CG1-CE2 4.29Å; I119-F261 HydrophobicContact CG1-CZ 3.92Å; I119-F261 HydrophobicContact CG2-CD1 4.32Å; I119-F261 HydrophobicContact CG2-CD2 4.3Å; I119-F261 HydrophobicContact CG2-CE1 4.5Å; I119-F261 HydrophobicContact CG2-CG 4.22Å; I119-F351 HydrophobicContact CD1-CD1 4.41Å; I119-F351 HydrophobicContact CD1-CD2 4.38Å; I119-F351 HydrophobicContact CD1-CE1 4Å; I119-F351 HydrophobicContact CD1-CE2 3.93Å; I119-F351 HydrophobicContact CD1-CZ 3.76Å
120	L	98.8	Very high	96.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.5	178.1	-59.4	-176.2	0	0	0	108.9	L82 I84 I108 V118 I199 Y203 V209 G211 Y212 D213	L82-L120 HydrophobicContact CB-CD2 4.44Å; L82-L120 HydrophobicContact CD2-CD2 4.19Å; I84-L120 HydrophobicContact CG2-CB 3.82Å; I108-L120 HydrophobicContact CD1-CD1 4.32Å; I108-L120 HydrophobicContact CD1-CD2 3.87Å; I108-L120 HydrophobicContact CG1-CD2 4.29Å; V118-L120 HydrophobicContact CB-CD2 4.39Å; V118-L120 HydrophobicContact CG2-CD2 4.02Å; V118-L120 HydrophobicContact CG2-CG 4.49Å; L120-I199 HydrophobicContact CD1-CG2 3.85Å; L120-Y203 HydrophobicContact CD1-CD2 3.47Å; L120-Y203 VanDerWaalsContact CD1-CD2 3.47Å; L120-Y203 HydrophobicContact CD1-CE2 4.2Å; L120-Y203 HydrophobicContact CD1-CG 4.19Å; L120-V209 HydrophobicContact CD1-CG1 4.07Å; L120-V209 HydrophobicContact CG-CG1 4.19Å; L120-G211 PolarHBondContact N-O 3.31Å; L120-Y212 HydrophobicContact CB-CD1 4.29Å; L120-Y212 HydrophobicContact CD1-CD1 4.28Å; L120-Y212 HydrophobicContact CD1-CE1 4.04Å; L120-D213 PolarHBondContact O-N 3.22Å
121	D	98.8	Very high	96.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.1	-172.4	160.7	38.1	0	0	0	112.3	R81 L82 I84 I119 H123 D213	R81-D121 HydrophobicContact CG-CB 3.76Å; R81-D121 IonicContact CZ-OD1 3.14Å; R81-D121 IonicContact CZ-OD2 3.98Å; R81-D121 VanDerWaalsContact CZ-OD2 3.22Å; R81-D121 IonicContact NE-OD2 3.9Å; R81-D121 IonicContact NH1-OD2 3.39Å; R81-D121 PolarHBondContact NH1-OD2 2.92Å; R81-D121 IonicContact NH2-OD1 2.66Å; R81-D121 PolarHBondContact NH2-OD1 3.03Å; R81-D121 IonicContact NH2-OD2 3.21Å; R81-D121 PolarHBondContact NH2-OD2 3.3Å; L82-D121 PolarHBondContact O-N 3.26Å; I84-D121 PolarHBondContact N-O 3.45Å; I119-D121 PolarHBondContact O-N 2.97Å; D121-H123 PolarHBondContact O-N 3.46Å; D121-H123 PolarHBondContact OD1-N 3.42Å; D121-H123 WeakPolarHBondContact OD2-CB 3.25Å; D121-H123 IonicContact OD2-CE1 3.17Å; D121-H123 IonicContact OD2-CG 3.46Å; D121-H123 IonicContact OD2-ND1 2.67Å; D121-H123 PolarHBondContact OD2-ND1 3.49Å; D121-D213 HydrophobicContact CB-CB 4.05Å
122	M	98.7	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.113	C	C	.	.			trans	-74.6	82.3	170	-168.1	-135.3	105.9	0	0	109.7	W86 Q124 I137 W192 F195 W196 D213 I215 N216	W86-M122 HydrophobicContact CB-CG 4.33Å; W86-M122 HydrophobicContact CE3-CE 4.15Å; W86-M122 HydrophobicContact CE3-SD 3.78Å; W86-M122 HydrophobicContact CZ3-SD 4.46Å; M122-Q124 HydrophobicContact CE-CB 4.21Å; M122-Q124 HydrophobicContact CE-CG 4.12Å; M122-I137 HydrophobicContact CE-CD1 3.49Å; M122-I137 VanDerWaalsContact CE-CD1 3.49Å; M122-W192 PolarHBondContact SD-NE1 3.39Å; M122-W192 VanDerWaalsContact SD-NE1 3.44Å; M122-F195 HydrophobicContact CB-CE1 3.82Å; M122-F195 HydrophobicContact CB-CZ 4.07Å; M122-F195 HydrophobicContact CG-CD1 4.31Å; M122-F195 HydrophobicContact CG-CE1 3.57Å; M122-F195 HydrophobicContact CG-CZ 3.75Å; M122-F195 HydrophobicContact SD-CE1 4.47Å; M122-W196 HydrophobicContact CB-CH2 4.3Å; M122-W196 HydrophobicContact CB-CZ2 3.65Å; M122-D213 PolarHBondContact N-O 3Å; M122-D213 VanDerWaalsContact N-O 3.13Å; M122-I215 HydrophobicContact CE-CB 4.43Å; M122-I215 HydrophobicContact CE-CD1 4.11Å; M122-I215 HydrophobicContact CE-CG1 3.97Å; M122-I215 HydrophobicContact SD-CB 4.46Å; M122-N216 PolarHBondContact O-N 2.9Å; M122-N216 VanDerWaalsContact O-N 3.12Å
123	H	98.1	Very high	95.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.109	C	C	.	.			trans	-76.2	136.6	-172.2	-148.2	86.7	0	0	0	112.5	V52 K54 M85 D121 D125 Y134 N216 E354 W389	V52-H123 HydrophobicContact CG1-CB 3.89Å; K54-H123 VanDerWaalsContact CE-NE2 3.3Å; K54-H123 WeakPolarHBondContact CE-NE2 3.38Å; K54-H123 PolarHBondContact NZ-NE2 3.03Å; M85-H123 HydrophobicContact CE-CB 4.21Å; M85-H123 WeakPolarHBondContact CE-O 3.39Å; M85-H123 HydrophobicContact SD-CB 3.85Å; D121-H123 PolarHBondContact O-N 3.46Å; D121-H123 PolarHBondContact OD1-N 3.42Å; D121-H123 WeakPolarHBondContact OD2-CB 3.25Å; D121-H123 IonicContact OD2-CE1 3.17Å; D121-H123 IonicContact OD2-CG 3.46Å; D121-H123 IonicContact OD2-ND1 2.67Å; D121-H123 PolarHBondContact OD2-ND1 3.49Å; H123-D125 IonicContact CD2-OD2 2.65Å; H123-D125 IonicContact NE2-OD2 3.36Å; H123-Y134 PolarHBondContact CD2-OH 3.45Å; H123-Y134 VanDerWaalsContact CD2-OH 3.28Å; H123-N216 HydrophobicContact CB-CB 4.44Å; H123-N216 PolarHBondContact CE1-ND2 3.47Å; H123-N216 PolarHBondContact CE1-OD1 3.06Å; H123-N216 VanDerWaalsContact CE1-OD1 3.3Å; H123-N216 PolarHBondContact ND1-OD1 3.38Å; H123-E354 IonicContact CE1-OE1 3.84Å; H123-E354 PolarHBondContact CE1-OE1 3.45Å; H123-W389 AromaticContact CE1-CH2 3.58Å; H123-W389 AromaticContact CE1-CZ3 3.41Å; H123-W389 VanDerWaalsContact CE1-CZ3 3.41Å; H123-W389 WeakPolarHBondContact CE1-CZ3 3.3Å; H123-W389 AromaticContact NE2-CH2 3.45Å; H123-W389 WeakPolarHBondContact NE2-CH2 3.35Å; H123-W389 AromaticContact NE2-CZ3 3.8Å
124	Q	96.5	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.083	C	C	.	.			trans	-152.3	144.5	172.3	68.7	81	33.3	0	0	109.4	M122 L127 Y134 Y169 I215 N216 E217	M122-Q124 HydrophobicContact CE-CB 4.21Å; M122-Q124 HydrophobicContact CE-CG 4.12Å; Q124-L127 VanDerWaalsContact OE1-CA 3.29Å; Q124-Y134 VanDerWaalsContact C-OH 3.25Å; Q124-Y134 WeakPolarHBondContact CA-OH 3.2Å; Q124-Y134 PolarHBondContact N-OH 3.5Å; Q124-Y169 PolarHBondContact NE2-OH 3.41Å; Q124-Y169 PolarHBondContact OE1-OH 2.91Å; Q124-I215 HydrophobicContact CG-CD1 4.03Å; Q124-I215 HydrophobicContact CG-CG1 3.86Å; Q124-N216 PolarHBondContact NE2-O 2.91Å; Q124-N216 PolarHBondContact O-ND2 3.28Å; Q124-E217 PolarHBondContact NE2-O 3.33Å; Q124-E217 VanDerWaalsContact NE2-O 3.13Å
125	D	95	Very high	96.2	Very high	14 Å²	14	14.3 Å²	14.3	8%	0.075	9%	0.088	C	C	.	.	S	Bend	trans	-128.5	127	163.8	-56.2	-79.8	0	0	0	108.3	K54 H123 L127 T133 Y134 D165 Y169	K54-D125 WeakPolarHBondContact CD-OD2 3.48Å; K54-D125 VanDerWaalsContact CE-OD2 3.29Å; K54-D125 WeakPolarHBondContact CE-OD2 3.35Å; K54-D125 IonicContact NZ-OD1 3.22Å; K54-D125 IonicContact NZ-OD2 3.74Å; K54-D125 PolarHBondContact NZ-OD2 3.31Å; H123-D125 IonicContact CD2-OD2 2.65Å; H123-D125 IonicContact NE2-OD2 3.36Å; D125-L127 PolarHBondContact O-N 3.11Å; D125-L127 VanDerWaalsContact O-N 3.15Å; D125-T133 VanDerWaalsContact O-CB 3.22Å; D125-T133 WeakPolarHBondContact O-CB 3.38Å; D125-T133 WeakPolarHBondContact O-CG2 3.37Å; D125-T133 PolarHBondContact O-OG1 3.02Å; D125-Y134 HydrophobicContact CB-CE1 3.95Å; D125-Y134 PolarHBondContact N-OH 3.11Å; D125-Y134 VanDerWaalsContact N-OH 3.13Å; D125-Y134 WeakPolarHBondContact OD2-CE1 3.26Å; D125-Y134 PolarHBondContact OD2-OH 3.08Å; D125-Y134 VanDerWaalsContact OD2-OH 3.14Å; D125-D165 HydrophobicContact CB-CB 3.84Å; D125-Y169 WeakPolarHBondContact CA-OH 3.09Å
126	G	94.1	Very high	96.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	62.6	22.2	178.7	0	0	0	0	0	114.2	S128 Y131 Y169	G126-S128 VanDerWaalsContact C-N 3.3Å; G126-S128 PolarHBondContact O-N 3.13Å; G126-Y131 WeakPolarHBondContact O-CD2 3.09Å; G126-Y169 PolarHBondContact N-OH 3.09Å
127	L	96.4	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	64.7	-59.9	-179.1	-51.3	168.7	0	0	0	116.4	Q124 D125 Y131 G136 I137 C174 A178 L181 P219	Q124-L127 VanDerWaalsContact OE1-CA 3.29Å; D125-L127 PolarHBondContact O-N 3.11Å; D125-L127 VanDerWaalsContact O-N 3.15Å; L127-Y131 HydrophobicContact CB-CD2 3.92Å; L127-Y131 HydrophobicContact CB-CE2 3.95Å; L127-Y131 HydrophobicContact CD1-CD2 4.17Å; L127-Y131 HydrophobicContact CD1-CE2 3.74Å; L127-Y131 HydrophobicContact CG-CE2 4.48Å; L127-G136 PolarHBondContact O-N 2.98Å; L127-I137 HydrophobicContact CB-CG1 4.06Å; L127-I137 HydrophobicContact CD2-CG1 3.9Å; L127-I137 WeakPolarHBondContact O-CA 3.34Å; L127-I137 WeakPolarHBondContact O-CB 3.32Å; L127-I137 PolarHBondContact O-N 2.82Å; L127-C174 WeakPolarHBondContact CD1-O 3.25Å; L127-A178 HydrophobicContact CD1-CB 4.01Å; L127-L181 HydrophobicContact CD2-CD2 4.45Å; L127-P219 HydrophobicContact CD2-CG 3.98Å
128	S	96.4	Very high	96.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.			trans	-156.9	159.1	-168.7	169.6	0	0	0	0	112.5	G126 R130 Y131 T133 Y134 D135 I137	G126-S128 VanDerWaalsContact C-N 3.3Å; G126-S128 PolarHBondContact O-N 3.13Å; S128-R130 PolarHBondContact O-N 3.43Å; S128-R130 PolarHBondContact OG-N 3.06Å; S128-Y131 PolarHBondContact O-N 3.25Å; S128-T133 PolarHBondContact O-OG1 2.94Å; S128-Y134 CarbonylContact C-O 3.15Å; S128-Y134 VanDerWaalsContact C-O 3.24Å; S128-Y134 WeakPolarHBondContact CA-O 3.4Å; S128-D135 PolarHBondContact OG-OD1 3.02Å; S128-I137 WeakPolarHBondContact CB-O 3.28Å
129	S	95.8	Very high	96.4	Very high	50 Å²	50	14.7 Å²	14.7	35%	0.35	8%	0.083	S	C	.	.	G	3₁₀ helix	trans	-53.5	-23	169.1	67.7	0	0	0	0	113.7	Y131 G132 T133 Y134 D135	S129-Y131 PolarHBondContact O-N 3.07Å; S129-G132 PolarHBondContact O-N 3.43Å; S129-T133 WeakPolarHBondContact CA-O 3.18Å; S129-Y134 PolarHBondContact N-O 3.4Å; S129-D135 VanDerWaalsContact CB-OD1 3.25Å; S129-D135 WeakPolarHBondContact CB-OD1 3.47Å; S129-D135 PolarHBondContact N-OD1 3.03Å; S129-D135 VanDerWaalsContact OG-CG 3.31Å; S129-D135 PolarHBondContact OG-OD1 2.97Å; S129-D135 PolarHBondContact OG-OD2 3Å
130	R	95.5	Very high	96.4	Very high	66 Å²	66	16.1 Å²	16.1	25%	0.249	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-51.8	-35.5	169.1	178.4	54.5	40.9	79.1	3	112.7	S128 L139 I142 N143	S128-R130 PolarHBondContact O-N 3.43Å; S128-R130 PolarHBondContact OG-N 3.06Å; R130-L139 HydrophobicContact CB-CD1 3.92Å; R130-L139 VanDerWaalsContact NH2-CD1 3.32Å; R130-I142 HydrophobicContact CB-CG2 3.61Å; R130-I142 HydrophobicContact CG-CG2 3.68Å; R130-N143 PolarHBondContact NH1-OD1 2.96Å; R130-N143 PolarHBondContact NH2-OD1 2.77Å
131	Y	94.4	Very high	96.3	Very high	8 Å²	8	16.1 Å²	16.1	3%	0.031	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-101.7	0.6	-174.6	-50.7	-48.9	0	0	0	113.5	G126 L127 S128 S129 I142 E154 Y168 E173 C174 G177	G126-Y131 WeakPolarHBondContact O-CD2 3.09Å; L127-Y131 HydrophobicContact CB-CD2 3.92Å; L127-Y131 HydrophobicContact CB-CE2 3.95Å; L127-Y131 HydrophobicContact CD1-CD2 4.17Å; L127-Y131 HydrophobicContact CD1-CE2 3.74Å; L127-Y131 HydrophobicContact CG-CE2 4.48Å; S128-Y131 PolarHBondContact O-N 3.25Å; S129-Y131 PolarHBondContact O-N 3.07Å; Y131-I142 HydrophobicContact CE2-CD1 4.35Å; Y131-I142 HydrophobicContact CE2-CG2 4.2Å; Y131-E154 HydrophobicContact CD1-CG 4.23Å; Y131-Y168 WeakPolarHBondContact O-CD1 3.07Å; Y131-Y168 WeakPolarHBondContact O-CE1 3.38Å; Y131-E173 HydrophobicContact CD1-CB 3.95Å; Y131-E173 HydrophobicContact CD1-CG 4.03Å; Y131-E173 HydrophobicContact CE1-CB 3.98Å; Y131-E173 HydrophobicContact CE1-CG 3.64Å; Y131-C174 HydrophobicContact CD2-CB 4.12Å; Y131-C174 HydrophobicContact CG-CB 4Å; Y131-G177 WeakPolarHBondContact OH-CA 3.48Å
132	G	91.7	Very high	96.3	Very high	30 Å²	30	16.3 Å²	16.3	31%	0.309	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.2	4.4	175.8	0	0	0	0	0	115.7	S129 Y168	S129-G132 PolarHBondContact O-N 3.43Å; G132-Y168 PolarHBondContact O-OH 3.03Å; G132-Y168 VanDerWaalsContact O-OH 3.14Å
133	T	93.4	Very high	96.3	Very high	27 Å²	27	20.5 Å²	20.5	17%	0.166	11%	0.112	C	C	.	.	S	Bend	trans	-108.3	-136.3	176.7	62.6	0	0	0	0	111.3	D125 S128 S129 D165 Y168	D125-T133 VanDerWaalsContact O-CB 3.22Å; D125-T133 WeakPolarHBondContact O-CB 3.38Å; D125-T133 WeakPolarHBondContact O-CG2 3.37Å; D125-T133 PolarHBondContact O-OG1 3.02Å; S128-T133 PolarHBondContact O-OG1 2.94Å; S129-T133 WeakPolarHBondContact CA-O 3.18Å; T133-D165 HydrophobicContact CG2-CB 4.15Å; T133-Y168 HydrophobicContact CG2-CD2 3.28Å; T133-Y168 HydrophobicContact CG2-CE2 3.49Å; T133-Y168 VanDerWaalsContact CG2-CE2 3.49Å; T133-Y168 HydrophobicContact CG2-CG 4.09Å
134	Y	94.8	Very high	96.2	Very high	26 Å²	26	24 Å²	24	10%	0.102	13%	0.128	C	C	.	.			trans	-116.6	167.9	173.7	66.4	-87	0	0	0	109.7	K54 W58 M85 H123 Q124 D125 S128 S129 G136	K54-Y134 HydrophobicContact CB-CD1 3.81Å; K54-Y134 HydrophobicContact CB-CD2 4.32Å; K54-Y134 HydrophobicContact CB-CE1 3.7Å; K54-Y134 HydrophobicContact CB-CE2 4.24Å; K54-Y134 HydrophobicContact CB-CG 4.1Å; K54-Y134 HydrophobicContact CD-CD1 4.41Å; K54-Y134 HydrophobicContact CD-CE1 3.68Å; K54-Y134 HydrophobicContact CG-CD1 4.47Å; K54-Y134 HydrophobicContact CG-CE1 3.87Å; K54-Y134 WeakPolarHBondContact O-CB 3.3Å; K54-Y134 WeakPolarHBondContact O-CD2 3.5Å; W58-Y134 HydrophobicContact CH2-CD2 4.25Å; W58-Y134 AromaticContact CZ3-CD2 3.8Å; W58-Y134 HydrophobicContact CZ3-CD2 3.8Å; W58-Y134 HydrophobicContact CZ3-CE2 4.46Å; M85-Y134 HydrophobicContact CE-CD2 4.09Å; M85-Y134 HydrophobicContact CE-CE2 3.3Å; H123-Y134 PolarHBondContact CD2-OH 3.45Å; H123-Y134 VanDerWaalsContact CD2-OH 3.28Å; Q124-Y134 VanDerWaalsContact C-OH 3.25Å; Q124-Y134 WeakPolarHBondContact CA-OH 3.2Å; Q124-Y134 PolarHBondContact N-OH 3.5Å; D125-Y134 HydrophobicContact CB-CE1 3.95Å; D125-Y134 PolarHBondContact N-OH 3.11Å; D125-Y134 VanDerWaalsContact N-OH 3.13Å; D125-Y134 WeakPolarHBondContact OD2-CE1 3.26Å; D125-Y134 PolarHBondContact OD2-OH 3.08Å; D125-Y134 VanDerWaalsContact OD2-OH 3.14Å; S128-Y134 CarbonylContact C-O 3.15Å; S128-Y134 VanDerWaalsContact C-O 3.24Å; S128-Y134 WeakPolarHBondContact CA-O 3.4Å; S129-Y134 PolarHBondContact N-O 3.4Å; Y134-G136 VanDerWaalsContact C-N 3.3Å; Y134-G136 PolarHBondContact O-N 3.33Å
135	D	96.8	Very high	96.3	Very high	35 Å²	35	24.5 Å²	24.5	19%	0.187	13%	0.13	C	C	.	.			trans	-78.5	71.3	-178.5	-65	-34.3	0	0	0	113.1	W58 S87 S128 S129	W58-D135 HydrophobicContact CH2-CB 4.45Å; S87-D135 WeakPolarHBondContact CB-O 3.08Å; S87-D135 WeakPolarHBondContact OG-CB 3.34Å; S87-D135 PolarHBondContact OG-O 2.93Å; S128-D135 PolarHBondContact OG-OD1 3.02Å; S129-D135 VanDerWaalsContact CB-OD1 3.25Å; S129-D135 WeakPolarHBondContact CB-OD1 3.47Å; S129-D135 PolarHBondContact N-OD1 3.03Å; S129-D135 VanDerWaalsContact OG-CG 3.31Å; S129-D135 PolarHBondContact OG-OD1 2.97Å; S129-D135 PolarHBondContact OG-OD2 3Å
136	G	96.6	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-64.4	-51.1	168.2	0	0	0	0	0	111.2	W86 L127 Y134	W86-G136 WeakPolarHBondContact CB-O 3.39Å; L127-G136 PolarHBondContact O-N 2.98Å; Y134-G136 VanDerWaalsContact C-N 3.3Å; Y134-G136 PolarHBondContact O-N 3.33Å
137	I	98	Very high	96.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-87.8	130.1	160.6	-50	-60.2	0	0	0	108	W86 M122 L127 S128 L139 L141 I142 L181	W86-I137 HydrophobicContact CE3-CD1 3.78Å; W86-I137 HydrophobicContact CZ3-CD1 3.81Å; W86-I137 HydrophobicContact CZ3-CG2 4.29Å; M122-I137 HydrophobicContact CE-CD1 3.49Å; M122-I137 VanDerWaalsContact CE-CD1 3.49Å; L127-I137 HydrophobicContact CB-CG1 4.06Å; L127-I137 HydrophobicContact CD2-CG1 3.9Å; L127-I137 WeakPolarHBondContact O-CA 3.34Å; L127-I137 WeakPolarHBondContact O-CB 3.32Å; L127-I137 PolarHBondContact O-N 2.82Å; S128-I137 WeakPolarHBondContact CB-O 3.28Å; I137-L139 PolarHBondContact O-N 3.13Å; I137-L141 HydrophobicContact CG2-CD2 4.04Å; I137-I142 HydrophobicContact CB-CD1 4.18Å; I137-I142 HydrophobicContact CB-CG1 4.32Å; I137-I142 HydrophobicContact CG2-CD1 3.74Å; I137-I142 HydrophobicContact CG2-CG1 4Å; I137-L181 HydrophobicContact CD1-CD2 4.16Å; I137-L181 HydrophobicContact CG1-CD2 4.5Å
138	P	98	Very high	96.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.187	C	C	.	.			trans	-61.7	135.6	-174.5	-24.3	32.8	0	0	0	114	W86 S87 W140 L141 I142	W86-P138 HydrophobicContact CB-CG 4.13Å; W86-P138 HydrophobicContact CD2-CG 4Å; W86-P138 HydrophobicContact CG-CG 3.63Å; S87-P138 WeakPolarHBondContact OG-CA 3.37Å; P138-W140 VanDerWaalsContact CB-CD1 3.4Å; P138-W140 HydrophobicContact CB-CD2 4.15Å; P138-W140 HydrophobicContact CB-CG 4.06Å; P138-W140 HydrophobicContact CB-CZ2 4.12Å; P138-W140 HydrophobicContact CG-CZ2 4.12Å; P138-W140 PolarHBondContact O-N 3.02Å; P138-W140 VanDerWaalsContact O-N 3.11Å; P138-L141 WeakPolarHBondContact O-CB 3.37Å; P138-L141 PolarHBondContact O-N 3.29Å; P138-I142 PolarHBondContact O-N 3.3Å
139	L	97.7	Very high	96.6	Very high	50 Å²	50	42.1 Å²	42.1	26%	0.262	21%	0.213	S	C	.	.	H	α-helix	trans	-56	-33.4	-179.9	-170.3	61.5	0	0	0	112.9	R130 I137 L141 I142 N143	R130-L139 HydrophobicContact CB-CD1 3.92Å; R130-L139 VanDerWaalsContact NH2-CD1 3.32Å; I137-L139 PolarHBondContact O-N 3.13Å; L139-L141 VanDerWaalsContact C-N 3.26Å; L139-L141 PolarHBondContact O-N 3.3Å; L139-I142 PolarHBondContact O-N 3.1Å; L139-N143 VanDerWaalsContact O-CB 3.31Å; L139-N143 WeakPolarHBondContact O-CB 3.34Å; L139-N143 PolarHBondContact O-N 3.27Å; L139-N143 PolarHBondContact O-ND2 2.85Å
140	W	98.1	Very high	96.6	Very high	31 Å²	31	45.3 Å²	45.3	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-29.5	177.7	63.2	-103.5	0	0	0	113	K90 I93 P138 Q144 H191	K90-W140 HydrophobicContact CB-CZ2 4.38Å; K90-W140 PolarHBondContact O-NE1 3.39Å; I93-W140 HydrophobicContact CB-CD2 4.15Å; I93-W140 HydrophobicContact CB-CE3 3.76Å; I93-W140 HydrophobicContact CB-CH2 4.33Å; I93-W140 HydrophobicContact CB-CZ3 3.86Å; I93-W140 HydrophobicContact CD1-CE3 4.35Å; I93-W140 HydrophobicContact CD1-CZ3 4.04Å; I93-W140 HydrophobicContact CG1-CE3 4.1Å; I93-W140 HydrophobicContact CG1-CH2 4.19Å; I93-W140 HydrophobicContact CG1-CZ3 3.72Å; P138-W140 VanDerWaalsContact CB-CD1 3.4Å; P138-W140 HydrophobicContact CB-CD2 4.15Å; P138-W140 HydrophobicContact CB-CG 4.06Å; P138-W140 HydrophobicContact CB-CZ2 4.12Å; P138-W140 HydrophobicContact CG-CZ2 4.12Å; P138-W140 PolarHBondContact O-N 3.02Å; P138-W140 VanDerWaalsContact O-N 3.11Å; W140-Q144 WeakPolarHBondContact O-CG 3.5Å; W140-Q144 PolarHBondContact O-NE2 2.93Å; W140-H191 HydrophobicContact CH2-CB 3.85Å; W140-H191 AromaticContact CH2-CG 3.68Å; W140-H191 AromaticContact CH2-ND1 3.87Å; W140-H191 HydrophobicContact CZ3-CB 4.41Å; W140-H191 AromaticContact CZ3-CD2 3.85Å; W140-H191 AromaticContact CZ3-CG 3.86Å
141	L	98.3	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-79.5	-47.6	175	176.2	56.5	0	0	0	110	W86 I137 P138 L139 N143 Q144 F145 A188 H191	W86-L141 HydrophobicContact CH2-CD2 3.56Å; W86-L141 HydrophobicContact CZ2-CD2 3.84Å; W86-L141 HydrophobicContact CZ3-CD2 4.39Å; I137-L141 HydrophobicContact CG2-CD2 4.04Å; P138-L141 WeakPolarHBondContact O-CB 3.37Å; P138-L141 PolarHBondContact O-N 3.29Å; L139-L141 VanDerWaalsContact C-N 3.26Å; L139-L141 PolarHBondContact O-N 3.3Å; L141-N143 PolarHBondContact O-N 2.96Å; L141-Q144 WeakPolarHBondContact O-CB 3.32Å; L141-Q144 PolarHBondContact O-N 3.19Å; L141-F145 HydrophobicContact CD1-CE1 3.99Å; L141-F145 HydrophobicContact CD1-CZ 4.24Å; L141-F145 HydrophobicContact CG-CE1 4.25Å; L141-F145 HydrophobicContact CG-CZ 4.03Å; L141-A188 HydrophobicContact CD1-CB 4.22Å; L141-A188 HydrophobicContact CD2-CB 4.34Å; L141-H191 HydrophobicContact CD2-CB 4.45Å
142	I	98.2	Very high	96.8	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-33.3	177.9	-62.6	-58.5	0	0	0	111.9	R130 Y131 I137 P138 L139 Q144 F145	R130-I142 HydrophobicContact CB-CG2 3.61Å; R130-I142 HydrophobicContact CG-CG2 3.68Å; Y131-I142 HydrophobicContact CE2-CD1 4.35Å; Y131-I142 HydrophobicContact CE2-CG2 4.2Å; I137-I142 HydrophobicContact CB-CD1 4.18Å; I137-I142 HydrophobicContact CB-CG1 4.32Å; I137-I142 HydrophobicContact CG2-CD1 3.74Å; I137-I142 HydrophobicContact CG2-CG1 4Å; P138-I142 PolarHBondContact O-N 3.3Å; L139-I142 PolarHBondContact O-N 3.1Å; I142-Q144 PolarHBondContact O-N 2.86Å; I142-F145 HydrophobicContact CD1-CD2 3.87Å; I142-F145 HydrophobicContact CD1-CE2 3.63Å; I142-F145 WeakPolarHBondContact O-CB 3.37Å; I142-F145 PolarHBondContact O-N 3.39Å; I142-F145 VanDerWaalsContact O-N 3.14Å
143	N	97.5	Very high	97	Very high	89 Å²	89	51.4 Å²	51.4	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	173	-82.5	-26.3	0	0	0	115	R130 L139 L141	R130-N143 PolarHBondContact NH1-OD1 2.96Å; R130-N143 PolarHBondContact NH2-OD1 2.77Å; L139-N143 VanDerWaalsContact O-CB 3.31Å; L139-N143 WeakPolarHBondContact O-CB 3.34Å; L139-N143 PolarHBondContact O-N 3.27Å; L139-N143 PolarHBondContact O-ND2 2.85Å; L141-N143 PolarHBondContact O-N 2.96Å
144	Q	97.7	Very high	97.1	Very high	75 Å²	75	51.8 Å²	51.8	35%	0.35	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.1	179	-56.5	178.4	18.3	0	0	112.5	W140 L141 I142 S186	W140-Q144 WeakPolarHBondContact O-CG 3.5Å; W140-Q144 PolarHBondContact O-NE2 2.93Å; L141-Q144 WeakPolarHBondContact O-CB 3.32Å; L141-Q144 PolarHBondContact O-N 3.19Å; I142-Q144 PolarHBondContact O-N 2.86Å; Q144-S186 PolarHBondContact O-OG 2.77Å; Q144-S186 VanDerWaalsContact O-OG 3.08Å
145	F	98.1	Very high	97.1	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.044	26%	0.263	C	S	.	.	S	Bend	trans	-82.1	143	177.3	-65.3	-10.5	0	0	0	110.7	L141 I142 R147 G177 Q180 L181 V185 A188	L141-F145 HydrophobicContact CD1-CE1 3.99Å; L141-F145 HydrophobicContact CD1-CZ 4.24Å; L141-F145 HydrophobicContact CG-CE1 4.25Å; L141-F145 HydrophobicContact CG-CZ 4.03Å; I142-F145 HydrophobicContact CD1-CD2 3.87Å; I142-F145 HydrophobicContact CD1-CE2 3.63Å; I142-F145 WeakPolarHBondContact O-CB 3.37Å; I142-F145 PolarHBondContact O-N 3.39Å; I142-F145 VanDerWaalsContact O-N 3.14Å; F145-R147 PolarHBondContact O-N 3.46Å; F145-G177 WeakPolarHBondContact CE2-O 3.32Å; F145-Q180 HydrophobicContact CB-CB 4.41Å; F145-Q180 HydrophobicContact CD1-CB 4.16Å; F145-Q180 HydrophobicContact CD2-CB 4.01Å; F145-Q180 HydrophobicContact CE1-CB 4.45Å; F145-Q180 HydrophobicContact CE2-CB 4.28Å; F145-Q180 HydrophobicContact CG-CB 3.95Å; F145-L181 HydrophobicContact CE2-CB 4.19Å; F145-L181 HydrophobicContact CZ-CB 4.17Å; F145-V185 HydrophobicContact CD1-CB 4.31Å; F145-V185 HydrophobicContact CD1-CG1 4.09Å; F145-V185 HydrophobicContact CE1-CB 4.38Å; F145-A188 HydrophobicContact CE1-CB 4.1Å; F145-A188 HydrophobicContact CZ-CB 4.03Å
146	K	97.4	Very high	97	Very high	171 Å²	171	54.5 Å²	54.5	74%	0.743	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-67.5	121.9	176.4	-174.7	179.6	179.4	-178.6	0	109	N176 Q180	K146-N176 PolarHBondContact O-ND2 2.85Å; K146-Q180 PolarHBondContact O-NE2 2.88Å
147	R	96.9	Very high	97	Very high	119 Å²	119	57.4 Å²	57.4	45%	0.449	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-73.5	145.3	174.4	-60.4	-168.4	74.1	-153.1	-0.9	110.8	F145 Q153 E173	F145-R147 PolarHBondContact O-N 3.46Å; R147-Q153 VanDerWaalsContact NH1-OE1 3.14Å; R147-E173 IonicContact CZ-OE1 2.83Å; R147-E173 VanDerWaalsContact CZ-OE1 3.26Å; R147-E173 IonicContact NE-OE1 3.75Å; R147-E173 PolarHBondContact NE-OE1 3.37Å; R147-E173 IonicContact NH2-OE1 2.81Å; R147-E173 PolarHBondContact NH2-OE1 3.31Å; R147-E173 IonicContact NH2-OE2 3.26Å; R147-E173 PolarHBondContact NH2-OE2 3.37Å
148	P	96.8	Very high	96.8	Very high	12 Å²	12	61.7 Å²	61.7	8%	0.078	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69.6	168.8	170.8	32.6	-35.9	0	0	0	111.3	M152 Q153 Y172 E173	P148-M152 HydrophobicContact CB-CB 4.16Å; P148-Q153 HydrophobicContact CG-CG 3.92Å; P148-Q153 PolarHBondContact O-NE2 3.35Å; P148-Y172 HydrophobicContact CB-CD1 3.73Å; P148-Y172 HydrophobicContact CB-CE1 3.54Å; P148-Y172 HydrophobicContact CG-CD1 3.94Å; P148-Y172 HydrophobicContact CG-CE1 4.21Å; P148-E173 HydrophobicContact CG-CB 4.36Å; P148-E173 HydrophobicContact CG-CG 3.79Å
149	P	96.9	Very high	96.6	Very high	82 Å²	82	71.8 Å²	71.8	53%	0.532	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-50.5	144.8	169.7	-25.2	34.9	0	0	0	111.2	I151 M152 Q153	P149-I151 HydrophobicContact CB-CG2 4.39Å; P149-I151 PolarHBondContact O-N 2.98Å; P149-M152 PolarHBondContact O-N 3.47Å; P149-Q153 PolarHBondContact O-N 2.8Å
150	T	96.4	Very high	96.3	Very high	117 Å²	117	77.6 Å²	77.6	72%	0.718	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-52.7	-31.8	-173.1	-50.3	0	0	0	0	114.1	M152 Q153	T150-M152 VanDerWaalsContact C-N 3.25Å; T150-M152 PolarHBondContact O-N 3.34Å; T150-Q153 PolarHBondContact O-N 3.28Å
151	I	96.4	Very high	95.9	Very high	137 Å²	137	80.5 Å²	80.5	70%	0.703	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-69	-19.1	177.8	-164.6	167.4	0	0	0	114.4	P149	P149-I151 HydrophobicContact CB-CG2 4.39Å; P149-I151 PolarHBondContact O-N 2.98Å
152	M	96.5	Very high	95.4	Very high	63 Å²	63	81.3 Å²	81.3	31%	0.31	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-109.2	6.6	178	-66.4	177	180	0	0	112.3	P148 P149 T150 Y172	P148-M152 HydrophobicContact CB-CB 4.16Å; P149-M152 PolarHBondContact O-N 3.47Å; T150-M152 VanDerWaalsContact C-N 3.25Å; T150-M152 PolarHBondContact O-N 3.34Å; M152-Y172 HydrophobicContact CB-CD1 4.06Å; M152-Y172 HydrophobicContact CB-CD2 4.5Å; M152-Y172 HydrophobicContact CB-CG 4.07Å; M152-Y172 WeakPolarHBondContact O-CB 3.44Å; M152-Y172 HydrophobicContact SD-CD2 4.2Å; M152-Y172 HydrophobicContact SD-CE1 4.45Å; M152-Y172 HydrophobicContact SD-CE2 3.87Å
153	Q	96.7	Very high	94.8	Very high	32 Å²	32	91.5 Å²	91.5	15%	0.15	44%	0.439	C	S	.	.	S	Bend	trans	-73.9	170.4	170.4	-71	175.2	13.4	0	0	109.9	R147 P148 P149 T150 W156 E173	R147-Q153 VanDerWaalsContact NH1-OE1 3.14Å; P148-Q153 HydrophobicContact CG-CG 3.92Å; P148-Q153 PolarHBondContact O-NE2 3.35Å; P149-Q153 PolarHBondContact O-N 2.8Å; T150-Q153 PolarHBondContact O-N 3.28Å; Q153-W156 WeakPolarHBondContact O-CB 3.49Å; Q153-W156 PolarHBondContact O-N 3.32Å; Q153-E173 WeakPolarHBondContact CA-OE2 3.42Å; Q153-E173 VanDerWaalsContact CB-OE2 3.25Å; Q153-E173 WeakPolarHBondContact CB-OE2 3.12Å
154	E	95	Very high	94.1	Very high	34 Å²	34	94.1 Å²	94.1	16%	0.159	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	137.7	176	-66.8	-53.8	152.5	0	0	111.8	Y131 L161 T171 E173 C174	Y131-E154 HydrophobicContact CD1-CG 4.23Å; E154-L161 HydrophobicContact CB-CD2 3.89Å; E154-L161 HydrophobicContact CG-CD2 4.45Å; E154-T171 VanDerWaalsContact CD-OG1 3.26Å; E154-T171 VanDerWaalsContact OE1-CB 3.28Å; E154-T171 WeakPolarHBondContact OE1-CB 3.37Å; E154-T171 PolarHBondContact OE1-OG1 2.8Å; E154-T171 WeakPolarHBondContact OE2-CB 3.29Å; E154-T171 WeakPolarHBondContact OE2-CG2 3.36Å; E154-T171 PolarHBondContact OE2-OG1 3.47Å; E154-E173 HydrophobicContact CG-CB 4.02Å; E154-E173 PolarHBondContact N-OE2 3.3Å; E154-E173 WeakPolarHBondContact OE1-CB 3.48Å; E154-C174 PolarHBondContact OE1-N 3.24Å
155	P	94.9	Very high	93.3	Very high	34 Å²	34	93.3 Å²	93.3	22%	0.221	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.2	18.6	9.1	37.4	-35.2	0	0	0	115.1	Y158 K160 L161	P155-Y158 WeakPolarHBondContact O-CA 3.34Å; P155-Y158 VanDerWaalsContact O-CB 3.27Å; P155-Y158 WeakPolarHBondContact O-CB 3.35Å; P155-Y158 PolarHBondContact O-N 2.74Å; P155-K160 WeakPolarHBondContact CB-O 3.43Å; P155-L161 HydrophobicContact CB-CD2 3.93Å; P155-L161 HydrophobicContact CB-CG 4.3Å
156	W	96.1	Very high	92.6	Very high	85 Å²	85	93.4 Å²	93.4	32%	0.322	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.5	-172.6	-173.3	97.1	0	0	0	111.8	Q153 T171 Y172 Y224	Q153-W156 WeakPolarHBondContact O-CB 3.49Å; Q153-W156 PolarHBondContact O-N 3.32Å; W156-T171 VanDerWaalsContact O-CA 3.26Å; W156-T171 WeakPolarHBondContact O-CA 3.42Å; W156-T171 WeakPolarHBondContact O-CB 3.25Å; W156-Y172 HydrophobicContact CE3-CD2 4.23Å; W156-Y172 HydrophobicContact CE3-CG 4.19Å; W156-Y172 HydrophobicContact CH2-CD2 4.32Å; W156-Y172 AromaticContact CZ3-CD2 3.67Å; W156-Y172 HydrophobicContact CZ3-CD2 3.67Å; W156-Y172 HydrophobicContact CZ3-CG 4.06Å; W156-Y172 PolarHBondContact O-N 3.42Å; W156-Y224 AromaticContact CH2-CD1 3.71Å; W156-Y224 HydrophobicContact CH2-CD1 3.71Å; W156-Y224 AromaticContact CH2-CE1 3.56Å; W156-Y224 HydrophobicContact CH2-CE1 3.56Å; W156-Y224 HydrophobicContact CH2-CG 4.45Å; W156-Y224 AromaticContact CZ3-CD1 3.72Å; W156-Y224 HydrophobicContact CZ3-CD1 3.72Å; W156-Y224 HydrophobicContact CZ3-CD2 4.25Å; W156-Y224 AromaticContact CZ3-CE1 3.41Å; W156-Y224 HydrophobicContact CZ3-CE1 3.41Å; W156-Y224 VanDerWaalsContact CZ3-CE1 3.41Å; W156-Y224 AromaticContact CZ3-CE2 3.99Å; W156-Y224 HydrophobicContact CZ3-CE2 3.99Å; W156-Y224 HydrophobicContact CZ3-CG 4.13Å; W156-Y224 AromaticContact CZ3-CZ 3.57Å
157	P	95.7	Very high	92.3	Very high	61 Å²	61	85.9 Å²	85.9	40%	0.396	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.9	2.5	13.7	37.4	-39.3	0	0	0	115.2	Y224	P157-Y224 WeakPolarHBondContact CD-OH 3.32Å; P157-Y224 WeakPolarHBondContact CG-OH 3.24Å
158	Y	94.4	Very high	92.1	Very high	90 Å²	90	80.9 Å²	80.9	35%	0.353	40%	0.395	S	S	.	.	S	Bend	trans	-75.2	163.2	175.4	-55.3	-79.3	0	0	0	111.4	P155 K160 P162 L170 T171	P155-Y158 WeakPolarHBondContact O-CA 3.34Å; P155-Y158 VanDerWaalsContact O-CB 3.27Å; P155-Y158 WeakPolarHBondContact O-CB 3.35Å; P155-Y158 PolarHBondContact O-N 2.74Å; Y158-K160 VanDerWaalsContact CB-O 3.26Å; Y158-K160 WeakPolarHBondContact CB-O 3.49Å; Y158-P162 HydrophobicContact CD2-CG 3.74Å; Y158-P162 HydrophobicContact CE2-CG 3.79Å; Y158-P162 HydrophobicContact CG-CG 4.36Å; Y158-L170 HydrophobicContact CE2-CB 4.26Å; Y158-L170 VanDerWaalsContact OH-CD1 3.28Å; Y158-L170 WeakPolarHBondContact OH-CD1 3.33Å; Y158-T171 HydrophobicContact CD2-CG2 3.94Å; Y158-T171 HydrophobicContact CE2-CG2 4.03Å
159	K	92.9	Very high	91.9	Very high	212 Å²	212	81.4 Å²	81.4	92%	0.922	40%	0.395	S	S	*	.	S	Bend	trans	-85.3	-20.3	172.9	-65.9	-177.1	178.9	179.1	0	113.1
160	K	92.9	Very high	91.8	Very high	173 Å²	173	81.4 Å²	81.4	75%	0.752	39%	0.39	S	S	*	.	S	Bend	trans	-144.4	155	-178.6	-65.6	-173.9	179.5	-177	0	108.1	P155 Y158	P155-K160 WeakPolarHBondContact CB-O 3.43Å; Y158-K160 VanDerWaalsContact CB-O 3.26Å; Y158-K160 WeakPolarHBondContact CB-O 3.49Å
161	L	89.4	Confident	91.8	Very high	91 Å²	91	75.8 Å²	75.8	48%	0.476	36%	0.356	S	S	.	.			trans	-54.6	133.2	174.5	-66	170.3	0	0	0	109.5	E154 P155 Y168	E154-L161 HydrophobicContact CB-CD2 3.89Å; E154-L161 HydrophobicContact CG-CD2 4.45Å; P155-L161 HydrophobicContact CB-CD2 3.93Å; P155-L161 HydrophobicContact CB-CG 4.3Å; L161-Y168 HydrophobicContact CB-CE1 4.19Å; L161-Y168 HydrophobicContact CD2-CE1 3.97Å
162	P	86.9	Confident	91.8	Very high	17 Å²	17	71.2 Å²	71.2	11%	0.11	33%	0.33	C	S	.	.			trans	-55.2	151.1	173.5	-24.4	32	0	0	0	112.6	Y158 A167 Y168 T171	Y158-P162 HydrophobicContact CD2-CG 3.74Å; Y158-P162 HydrophobicContact CE2-CG 3.79Å; Y158-P162 HydrophobicContact CG-CG 4.36Å; P162-A167 HydrophobicContact CB-CB 3.49Å; P162-A167 VanDerWaalsContact CB-CB 3.49Å; P162-A167 HydrophobicContact CG-CB 3.89Å; P162-Y168 HydrophobicContact CG-CD1 4.18Å; P162-Y168 HydrophobicContact CG-CE1 4.27Å; P162-Y168 PolarHBondContact O-OH 2.73Å; P162-Y168 VanDerWaalsContact O-OH 3.07Å; P162-T171 HydrophobicContact CG-CG2 4.47Å
163	K	85.8	Confident	91.9	Very high	218 Å²	218	68.5 Å²	68.5	95%	0.948	32%	0.317	S	S	*	.	S	Bend	trans	-86.1	-20.4	176	-70	-172.4	176.3	-174.1	0	113.8
164	W	82.8	Confident	91.9	Very high	143 Å²	143	67 Å²	67	54%	0.542	31%	0.309	S	S	.	.	S	Bend	trans	-113.9	132.2	-176.5	166	58.2	0	0	0	108.5	G166 A167	W164-G166 VanDerWaalsContact C-N 3.3Å; W164-G166 PolarHBondContact O-N 3.27Å; W164-A167 HydrophobicContact CE3-CB 3.85Å; W164-A167 HydrophobicContact CZ3-CB 4.34Å; W164-A167 WeakPolarHBondContact O-CB 3.48Å; W164-A167 PolarHBondContact O-N 3.36Å
165	D	81.9	Confident	92	Very high	58 Å²	58	65.3 Å²	65.3	31%	0.31	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-63.1	-35.1	-167.4	-63.4	-27.8	0	0	0	113.3	D125 T133 A167 Y168	D125-D165 HydrophobicContact CB-CB 3.84Å; T133-D165 HydrophobicContact CG2-CB 4.15Å; D165-A167 PolarHBondContact O-N 2.61Å; D165-A167 VanDerWaalsContact O-N 3.13Å; D165-Y168 HydrophobicContact CB-CD2 4.43Å; D165-Y168 WeakPolarHBondContact O-CB 3.27Å; D165-Y168 VanDerWaalsContact O-CD2 3.25Å; D165-Y168 WeakPolarHBondContact O-CD2 3.46Å; D165-Y168 PolarHBondContact O-N 3.03Å
166	G	83.3	Confident	92.2	Very high	12 Å²	12	65 Å²	65	12%	0.124	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-63.1	-21.7	177.9	0	0	0	0	0	114.1	W164 Y168 Y169	W164-G166 VanDerWaalsContact C-N 3.3Å; W164-G166 PolarHBondContact O-N 3.27Å; G166-Y168 VanDerWaalsContact C-N 3.3Å; G166-Y168 PolarHBondContact O-N 3.36Å; G166-Y169 WeakPolarHBondContact O-CB 3.29Å; G166-Y169 WeakPolarHBondContact O-CD2 3.24Å; G166-Y169 PolarHBondContact O-N 2.71Å
167	A	89.7	Confident	92.3	Very high	13 Å²	13	60.9 Å²	60.9	11%	0.107	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-75.6	-17.2	176.3	0	0	0	0	0	113.1	P162 W164 D165 Y169 L170	P162-A167 HydrophobicContact CB-CB 3.49Å; P162-A167 VanDerWaalsContact CB-CB 3.49Å; P162-A167 HydrophobicContact CG-CB 3.89Å; W164-A167 HydrophobicContact CE3-CB 3.85Å; W164-A167 HydrophobicContact CZ3-CB 4.34Å; W164-A167 WeakPolarHBondContact O-CB 3.48Å; W164-A167 PolarHBondContact O-N 3.36Å; D165-A167 PolarHBondContact O-N 2.61Å; D165-A167 VanDerWaalsContact O-N 3.13Å; A167-Y169 PolarHBondContact O-N 3.21Å; A167-L170 WeakPolarHBondContact O-CB 3.06Å; A167-L170 PolarHBondContact O-N 3.07Å; A167-L170 VanDerWaalsContact O-N 3.12Å
168	Y	92.5	Very high	92.4	Very high	14 Å²	14	58 Å²	58	6%	0.055	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-64.3	-27.9	171	-66.7	-72.2	0	0	0	111.6	Y131 G132 T133 L161 P162 D165 G166 L170 T171 C174	Y131-Y168 WeakPolarHBondContact O-CD1 3.07Å; Y131-Y168 WeakPolarHBondContact O-CE1 3.38Å; G132-Y168 PolarHBondContact O-OH 3.03Å; G132-Y168 VanDerWaalsContact O-OH 3.14Å; T133-Y168 HydrophobicContact CG2-CD2 3.28Å; T133-Y168 HydrophobicContact CG2-CE2 3.49Å; T133-Y168 VanDerWaalsContact CG2-CE2 3.49Å; T133-Y168 HydrophobicContact CG2-CG 4.09Å; L161-Y168 HydrophobicContact CB-CE1 4.19Å; L161-Y168 HydrophobicContact CD2-CE1 3.97Å; P162-Y168 HydrophobicContact CG-CD1 4.18Å; P162-Y168 HydrophobicContact CG-CE1 4.27Å; P162-Y168 PolarHBondContact O-OH 2.73Å; P162-Y168 VanDerWaalsContact O-OH 3.07Å; D165-Y168 HydrophobicContact CB-CD2 4.43Å; D165-Y168 WeakPolarHBondContact O-CB 3.27Å; D165-Y168 VanDerWaalsContact O-CD2 3.25Å; D165-Y168 WeakPolarHBondContact O-CD2 3.46Å; D165-Y168 PolarHBondContact O-N 3.03Å; G166-Y168 VanDerWaalsContact C-N 3.3Å; G166-Y168 PolarHBondContact O-N 3.36Å; Y168-L170 PolarHBondContact O-N 2.8Å; Y168-T171 PolarHBondContact O-N 3.01Å; Y168-T171 PolarHBondContact O-OG1 2.83Å; Y168-C174 WeakPolarHBondContact O-CB 3.32Å
169	Y	93.3	Very high	92.6	Very high	24 Å²	24	54.1 Å²	54.1	9%	0.094	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.4	-6.3	173.6	-60.2	-49.3	0	0	0	114.5	Q124 D125 G126 G166 A167 T175 E217 P219	Q124-Y169 PolarHBondContact NE2-OH 3.41Å; Q124-Y169 PolarHBondContact OE1-OH 2.91Å; D125-Y169 WeakPolarHBondContact CA-OH 3.09Å; G126-Y169 PolarHBondContact N-OH 3.09Å; G166-Y169 WeakPolarHBondContact O-CB 3.29Å; G166-Y169 WeakPolarHBondContact O-CD2 3.24Å; G166-Y169 PolarHBondContact O-N 2.71Å; A167-Y169 PolarHBondContact O-N 3.21Å; Y169-T175 WeakPolarHBondContact O-CG2 3.2Å; Y169-E217 PolarHBondContact OH-O 3.47Å; Y169-P219 HydrophobicContact CD1-CB 3.66Å; Y169-P219 HydrophobicContact CD1-CG 4.18Å; Y169-P219 HydrophobicContact CE1-CB 3.97Å; Y169-P219 HydrophobicContact CE1-CG 4.05Å; Y169-P219 HydrophobicContact CG-CB 4.38Å
170	L	94.3	Very high	92.9	Very high	81 Å²	81	44.8 Å²	44.8	42%	0.424	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-99.9	-8.5	175.7	-59.8	176.5	0	0	0	113	Y158 A167 Y168 F223 Y224	Y158-L170 HydrophobicContact CE2-CB 4.26Å; Y158-L170 VanDerWaalsContact OH-CD1 3.28Å; Y158-L170 WeakPolarHBondContact OH-CD1 3.33Å; A167-L170 WeakPolarHBondContact O-CB 3.06Å; A167-L170 PolarHBondContact O-N 3.07Å; A167-L170 VanDerWaalsContact O-N 3.12Å; Y168-L170 PolarHBondContact O-N 2.8Å; L170-F223 HydrophobicContact CD2-CZ 4.2Å; L170-Y224 PolarHBondContact O-OH 3.19Å
171	T	96.5	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-79.3	152.9	179.5	69.7	0	0	0	0	110.5	E154 W156 Y158 P162 Y168 C174 T175	E154-T171 VanDerWaalsContact CD-OG1 3.26Å; E154-T171 VanDerWaalsContact OE1-CB 3.28Å; E154-T171 WeakPolarHBondContact OE1-CB 3.37Å; E154-T171 PolarHBondContact OE1-OG1 2.8Å; E154-T171 WeakPolarHBondContact OE2-CB 3.29Å; E154-T171 WeakPolarHBondContact OE2-CG2 3.36Å; E154-T171 PolarHBondContact OE2-OG1 3.47Å; W156-T171 VanDerWaalsContact O-CA 3.26Å; W156-T171 WeakPolarHBondContact O-CA 3.42Å; W156-T171 WeakPolarHBondContact O-CB 3.25Å; Y158-T171 HydrophobicContact CD2-CG2 3.94Å; Y158-T171 HydrophobicContact CE2-CG2 4.03Å; P162-T171 HydrophobicContact CG-CG2 4.47Å; Y168-T171 PolarHBondContact O-N 3.01Å; Y168-T171 PolarHBondContact O-OG1 2.83Å; T171-C174 WeakPolarHBondContact OG1-CB 3.22Å; T171-C174 PolarHBondContact OG1-N 3.34Å; T171-T175 WeakPolarHBondContact O-CB 3.22Å; T171-T175 WeakPolarHBondContact O-CG2 3.36Å; T171-T175 PolarHBondContact O-N 3.48Å; T171-T175 VanDerWaalsContact O-N 3.14Å; T171-T175 PolarHBondContact O-OG1 3.12Å
172	Y	97.3	Very high	93.6	Very high	41 Å²	41	32.6 Å²	32.6	16%	0.161	15%	0.152	C	C	.	.	H	α-helix	trans	-68.8	-41	-179.7	-172	-70.9	0	0	0	111.6	P148 M152 W156 T175 N176 Y224	P148-Y172 HydrophobicContact CB-CD1 3.73Å; P148-Y172 HydrophobicContact CB-CE1 3.54Å; P148-Y172 HydrophobicContact CG-CD1 3.94Å; P148-Y172 HydrophobicContact CG-CE1 4.21Å; M152-Y172 HydrophobicContact CB-CD1 4.06Å; M152-Y172 HydrophobicContact CB-CD2 4.5Å; M152-Y172 HydrophobicContact CB-CG 4.07Å; M152-Y172 WeakPolarHBondContact O-CB 3.44Å; M152-Y172 HydrophobicContact SD-CD2 4.2Å; M152-Y172 HydrophobicContact SD-CE1 4.45Å; M152-Y172 HydrophobicContact SD-CE2 3.87Å; W156-Y172 HydrophobicContact CE3-CD2 4.23Å; W156-Y172 HydrophobicContact CE3-CG 4.19Å; W156-Y172 HydrophobicContact CH2-CD2 4.32Å; W156-Y172 AromaticContact CZ3-CD2 3.67Å; W156-Y172 HydrophobicContact CZ3-CD2 3.67Å; W156-Y172 HydrophobicContact CZ3-CG 4.06Å; W156-Y172 PolarHBondContact O-N 3.42Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.26Å; Y172-T175 PolarHBondContact O-N 3.11Å; Y172-T175 PolarHBondContact O-OG1 2.86Å; Y172-T175 VanDerWaalsContact O-OG1 3.1Å; Y172-N176 HydrophobicContact CD1-CB 4.08Å; Y172-N176 HydrophobicContact CE1-CB 3.98Å; Y172-N176 WeakPolarHBondContact O-CB 3.23Å; Y172-N176 PolarHBondContact O-N 3.43Å; Y172-Y224 HydrophobicContact CD2-CD1 4.4Å; Y172-Y224 AromaticContact CD2-CD2 3.68Å; Y172-Y224 HydrophobicContact CD2-CD2 3.68Å; Y172-Y224 HydrophobicContact CD2-CE2 4.46Å; Y172-Y224 AromaticContact CD2-CG 3.65Å; Y172-Y224 HydrophobicContact CD2-CG 3.65Å; Y172-Y224 HydrophobicContact CE2-CD2 4.45Å; Y172-Y224 HydrophobicContact CE2-CG 4.15Å; Y172-Y224 HydrophobicContact CG-CD2 4.21Å
173	E	97.2	Very high	94.1	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.023	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-45.5	-176	-146.6	-177.5	166.9	0	0	111.6	Y131 R147 P148 Q153 E154 N176 G177	Y131-E173 HydrophobicContact CD1-CB 3.95Å; Y131-E173 HydrophobicContact CD1-CG 4.03Å; Y131-E173 HydrophobicContact CE1-CB 3.98Å; Y131-E173 HydrophobicContact CE1-CG 3.64Å; R147-E173 IonicContact CZ-OE1 2.83Å; R147-E173 VanDerWaalsContact CZ-OE1 3.26Å; R147-E173 IonicContact NE-OE1 3.75Å; R147-E173 PolarHBondContact NE-OE1 3.37Å; R147-E173 IonicContact NH2-OE1 2.81Å; R147-E173 PolarHBondContact NH2-OE1 3.31Å; R147-E173 IonicContact NH2-OE2 3.26Å; R147-E173 PolarHBondContact NH2-OE2 3.37Å; P148-E173 HydrophobicContact CG-CB 4.36Å; P148-E173 HydrophobicContact CG-CG 3.79Å; Q153-E173 WeakPolarHBondContact CA-OE2 3.42Å; Q153-E173 VanDerWaalsContact CB-OE2 3.25Å; Q153-E173 WeakPolarHBondContact CB-OE2 3.12Å; E154-E173 HydrophobicContact CG-CB 4.02Å; E154-E173 PolarHBondContact N-OE2 3.3Å; E154-E173 WeakPolarHBondContact OE1-CB 3.48Å; E173-N176 PolarHBondContact O-N 2.87Å; E173-G177 PolarHBondContact O-N 3.23Å
174	C	97.2	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-50	175.2	-173.2	0	0	0	0	112	L127 Y131 E154 Y168 T171 N176 G177 A178	L127-C174 WeakPolarHBondContact CD1-O 3.25Å; Y131-C174 HydrophobicContact CD2-CB 4.12Å; Y131-C174 HydrophobicContact CG-CB 4Å; E154-C174 PolarHBondContact OE1-N 3.24Å; Y168-C174 WeakPolarHBondContact O-CB 3.32Å; T171-C174 WeakPolarHBondContact OG1-CB 3.22Å; T171-C174 PolarHBondContact OG1-N 3.34Å; C174-N176 VanDerWaalsContact C-N 3.28Å; C174-N176 PolarHBondContact O-N 2.96Å; C174-G177 WeakPolarHBondContact O-CA 3.07Å; C174-G177 PolarHBondContact O-N 3.49Å; C174-A178 PolarHBondContact O-N 3.15Å
175	T	97.6	Very high	95.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-33.6	179.8	58.2	0	0	0	0	112.7	Y169 T171 Y172 Q179 G221 N222 F223	Y169-T175 WeakPolarHBondContact O-CG2 3.2Å; T171-T175 WeakPolarHBondContact O-CB 3.22Å; T171-T175 WeakPolarHBondContact O-CG2 3.36Å; T171-T175 PolarHBondContact O-N 3.48Å; T171-T175 VanDerWaalsContact O-N 3.14Å; T171-T175 PolarHBondContact O-OG1 3.12Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.26Å; Y172-T175 PolarHBondContact O-N 3.11Å; Y172-T175 PolarHBondContact O-OG1 2.86Å; Y172-T175 VanDerWaalsContact O-OG1 3.1Å; T175-Q179 PolarHBondContact O-N 3.42Å; T175-G221 CarbonylContact O-C 3.24Å; T175-N222 WeakPolarHBondContact O-CA 3.12Å; T175-N222 WeakPolarHBondContact O-CB 3.22Å; T175-N222 PolarHBondContact O-N 3.03Å; T175-F223 HydrophobicContact CG2-CD1 4.08Å; T175-F223 HydrophobicContact CG2-CE1 3.48Å; T175-F223 VanDerWaalsContact CG2-CE1 3.48Å; T175-F223 HydrophobicContact CG2-CZ 4.07Å
176	N	98.1	Very high	96.2	Very high	26 Å²	26	24.3 Å²	24.3	14%	0.139	13%	0.13	C	C	.	.	H	α-helix	trans	-68.9	-38.2	172	-174.5	68.5	0	0	0	112.5	K146 Y172 E173 C174 Q179 Q180 N222	K146-N176 PolarHBondContact O-ND2 2.85Å; Y172-N176 HydrophobicContact CD1-CB 4.08Å; Y172-N176 HydrophobicContact CE1-CB 3.98Å; Y172-N176 WeakPolarHBondContact O-CB 3.23Å; Y172-N176 PolarHBondContact O-N 3.43Å; E173-N176 PolarHBondContact O-N 2.87Å; C174-N176 VanDerWaalsContact C-N 3.28Å; C174-N176 PolarHBondContact O-N 2.96Å; N176-Q179 PolarHBondContact O-N 3.45Å; N176-Q180 PolarHBondContact ND2-NE2 3.48Å; N176-Q180 WeakPolarHBondContact O-CG 3.47Å; N176-Q180 PolarHBondContact O-N 2.95Å; N176-Q180 VanDerWaalsContact O-N 3.11Å; N176-Q180 PolarHBondContact O-NE2 3.33Å; N176-N222 PolarHBondContact OD1-ND2 3.05Å
177	G	98.2	Very high	96.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-48	170.8	0	0	0	0	0	112.1	Y131 F145 E173 C174 Q179 Q180 L181	Y131-G177 WeakPolarHBondContact OH-CA 3.48Å; F145-G177 WeakPolarHBondContact CE2-O 3.32Å; E173-G177 PolarHBondContact O-N 3.23Å; C174-G177 WeakPolarHBondContact O-CA 3.07Å; C174-G177 PolarHBondContact O-N 3.49Å; G177-Q179 VanDerWaalsContact C-N 3.33Å; G177-Q179 PolarHBondContact O-N 3.45Å; G177-Q180 PolarHBondContact O-N 3.01Å; G177-L181 PolarHBondContact O-N 2.9Å
178	A	98.2	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.3	-45.9	175.1	0	0	0	0	0	111.8	L127 C174 Q180 L181 Y182 P219	L127-A178 HydrophobicContact CD1-CB 4.01Å; C174-A178 PolarHBondContact O-N 3.15Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; A178-Q180 PolarHBondContact O-N 3.03Å; A178-L181 WeakPolarHBondContact O-CB 3.43Å; A178-L181 PolarHBondContact O-N 2.92Å; A178-Y182 HydrophobicContact CB-CE2 4.1Å; A178-Y182 WeakPolarHBondContact O-CD2 3.28Å; A178-Y182 VanDerWaalsContact O-CG 3.29Å; A178-Y182 PolarHBondContact O-N 2.6Å; A178-P219 HydrophobicContact CB-CB 3.96Å; A178-P219 HydrophobicContact CB-CG 3.5Å
179	Q	98.6	Very high	97.6	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-41.2	179.4	-168.4	57.5	37.8	0	0	112.5	T175 N176 G177 L181 Y182 E183 N222 R229 N239	T175-Q179 PolarHBondContact O-N 3.42Å; N176-Q179 PolarHBondContact O-N 3.45Å; G177-Q179 VanDerWaalsContact C-N 3.33Å; G177-Q179 PolarHBondContact O-N 3.45Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-Y182 PolarHBondContact O-N 3.06Å; Q179-E183 HydrophobicContact CG-CG 4.35Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.23Å; Q179-E183 PolarHBondContact NE2-OE1 3.45Å; Q179-E183 WeakPolarHBondContact O-CB 3.46Å; Q179-E183 WeakPolarHBondContact O-CG 3.38Å; Q179-E183 PolarHBondContact O-N 3.45Å; Q179-N222 HydrophobicContact CB-CB 3.61Å; Q179-N222 HydrophobicContact CG-CB 4.09Å; Q179-R229 VanDerWaalsContact CD-NE 3.29Å; Q179-R229 VanDerWaalsContact NE2-NH2 3.12Å; Q179-N239 PolarHBondContact NE2-OD1 3.4Å; Q179-N239 PolarHBondContact OE1-ND2 3.43Å; Q179-N239 VanDerWaalsContact OE1-ND2 3.1Å
180	Q	98.6	Very high	97.8	Very high	16 Å²	16	28 Å²	28	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-35.2	177.8	-73	-177.5	89.5	0	0	112.3	F145 K146 N176 G177 A178 E183 N184 V185	F145-Q180 HydrophobicContact CB-CB 4.41Å; F145-Q180 HydrophobicContact CD1-CB 4.16Å; F145-Q180 HydrophobicContact CD2-CB 4.01Å; F145-Q180 HydrophobicContact CE1-CB 4.45Å; F145-Q180 HydrophobicContact CE2-CB 4.28Å; F145-Q180 HydrophobicContact CG-CB 3.95Å; K146-Q180 PolarHBondContact O-NE2 2.88Å; N176-Q180 PolarHBondContact ND2-NE2 3.48Å; N176-Q180 WeakPolarHBondContact O-CG 3.47Å; N176-Q180 PolarHBondContact O-N 2.95Å; N176-Q180 VanDerWaalsContact O-N 3.11Å; N176-Q180 PolarHBondContact O-NE2 3.33Å; G177-Q180 PolarHBondContact O-N 3.01Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; A178-Q180 PolarHBondContact O-N 3.03Å; Q180-E183 PolarHBondContact O-N 3.23Å; Q180-N184 PolarHBondContact O-N 3.5Å; Q180-V185 HydrophobicContact CB-CB 3.91Å; Q180-V185 HydrophobicContact CB-CG1 4.45Å; Q180-V185 HydrophobicContact CB-CG2 3.83Å; Q180-V185 HydrophobicContact CG-CB 4.36Å; Q180-V185 HydrophobicContact CG-CG2 3.92Å; Q180-V185 WeakPolarHBondContact O-CB 3.1Å; Q180-V185 PolarHBondContact O-N 3.24Å
181	L	98.6	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-46.9	169.9	178.4	62.2	0	0	0	110.9	L127 I137 F145 G177 A178 Q179 N184 A188 W189 W192	L127-L181 HydrophobicContact CD2-CD2 4.45Å; I137-L181 HydrophobicContact CD1-CD2 4.16Å; I137-L181 HydrophobicContact CG1-CD2 4.5Å; F145-L181 HydrophobicContact CE2-CB 4.19Å; F145-L181 HydrophobicContact CZ-CB 4.17Å; G177-L181 PolarHBondContact O-N 2.9Å; A178-L181 WeakPolarHBondContact O-CB 3.43Å; A178-L181 PolarHBondContact O-N 2.92Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; L181-N184 PolarHBondContact O-N 2.04Å; L181-A188 HydrophobicContact CD1-CB 3.85Å; L181-W189 VanDerWaalsContact O-CD1 3.29Å; L181-W189 PolarHBondContact O-NE1 2.84Å; L181-W192 HydrophobicContact CD1-CE3 3.99Å; L181-W192 HydrophobicContact CD1-CZ3 4.36Å; L181-W192 HydrophobicContact CD2-CZ3 4.17Å; L181-W192 HydrophobicContact CG-CE3 4.29Å; L181-W192 HydrophobicContact CG-CZ3 4.14Å
182	Y	98.5	Very high	98.1	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-71.1	-28.8	178.5	-56.8	-39	0	0	0	113.9	A178 Q179 N184 W189 P219 N239 L240 V243	A178-Y182 HydrophobicContact CB-CE2 4.1Å; A178-Y182 WeakPolarHBondContact O-CD2 3.28Å; A178-Y182 VanDerWaalsContact O-CG 3.29Å; A178-Y182 PolarHBondContact O-N 2.6Å; Q179-Y182 PolarHBondContact O-N 3.06Å; Y182-N184 PolarHBondContact O-N 3.18Å; Y182-W189 WeakPolarHBondContact O-CZ2 3.35Å; Y182-W189 PolarHBondContact O-NE1 3Å; Y182-P219 VanDerWaalsContact CE2-O 3.27Å; Y182-P219 WeakPolarHBondContact CE2-O 3.21Å; Y182-P219 VanDerWaalsContact OH-CD 3.31Å; Y182-P219 WeakPolarHBondContact OH-CD 3.4Å; Y182-P219 PolarHBondContact OH-O 3.14Å; Y182-N239 HydrophobicContact CD1-CB 4.43Å; Y182-N239 HydrophobicContact CD2-CB 3.52Å; Y182-N239 HydrophobicContact CE2-CB 4.11Å; Y182-N239 HydrophobicContact CG-CB 3.72Å; Y182-L240 HydrophobicContact CD1-CD2 4.38Å; Y182-L240 HydrophobicContact CE1-CD2 3.6Å; Y182-L240 HydrophobicContact CE2-CD2 4.36Å; Y182-V243 HydrophobicContact CD1-CG2 4.07Å
183	E	98.3	Very high	98.2	Very high	106 Å²	106	23.4 Å²	23.4	50%	0.495	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	8.7	177.4	-72.8	172.8	-179.9	0	0	113.4	Q179 Q180 V185 R229	Q179-E183 HydrophobicContact CG-CG 4.35Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.23Å; Q179-E183 PolarHBondContact NE2-OE1 3.45Å; Q179-E183 WeakPolarHBondContact O-CB 3.46Å; Q179-E183 WeakPolarHBondContact O-CG 3.38Å; Q179-E183 PolarHBondContact O-N 3.45Å; Q180-E183 PolarHBondContact O-N 3.23Å; E183-V185 HydrophobicContact CB-CG2 4.22Å; E183-V185 PolarHBondContact O-N 2.92Å; E183-R229 IonicContact OE1-NH2 3.21Å; E183-R229 PolarHBondContact OE1-NH2 2.83Å
184	N	98.4	Very high	98.2	Very high	55 Å²	55	25.4 Å²	25.4	29%	0.294	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.5	-179.6	-166.8	24.9	0	0	0	113.2	Q180 L181 Y182 S186 G187 A188 W189	Q180-N184 PolarHBondContact O-N 3.5Å; L181-N184 PolarHBondContact O-N 2.04Å; Y182-N184 PolarHBondContact O-N 3.18Å; N184-S186 PolarHBondContact O-N 3.49Å; N184-G187 PolarHBondContact O-N 3.46Å; N184-G187 VanDerWaalsContact O-N 3.12Å; N184-G187 VanDerWaalsContact OD1-CA 3.31Å; N184-G187 WeakPolarHBondContact OD1-CA 3.18Å; N184-A188 PolarHBondContact OD1-N 2.04Å; N184-A188 VanDerWaalsContact OD1-N 3.15Å; N184-W189 HydrophobicContact CB-CB 4.31Å; N184-W189 HydrophobicContact CB-CD2 3.81Å; N184-W189 HydrophobicContact CB-CG 3.65Å; N184-W189 VanDerWaalsContact OD1-CB 3.23Å; N184-W189 WeakPolarHBondContact OD1-CB 3.24Å; N184-W189 PolarHBondContact OD1-N 3.41Å
185	V	98.4	Very high	98.3	Very high	42 Å²	42	25.4 Å²	25.4	26%	0.255	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-60.3	136.3	178	174.2	0	0	0	0	109.3	F145 Q180 E183 G187 A188	F145-V185 HydrophobicContact CD1-CB 4.31Å; F145-V185 HydrophobicContact CD1-CG1 4.09Å; F145-V185 HydrophobicContact CE1-CB 4.38Å; Q180-V185 HydrophobicContact CB-CB 3.91Å; Q180-V185 HydrophobicContact CB-CG1 4.45Å; Q180-V185 HydrophobicContact CB-CG2 3.83Å; Q180-V185 HydrophobicContact CG-CB 4.36Å; Q180-V185 HydrophobicContact CG-CG2 3.92Å; Q180-V185 WeakPolarHBondContact O-CB 3.1Å; Q180-V185 PolarHBondContact O-N 3.24Å; E183-V185 HydrophobicContact CB-CG2 4.22Å; E183-V185 PolarHBondContact O-N 2.92Å; V185-G187 PolarHBondContact O-N 3.03Å; V185-G187 VanDerWaalsContact O-N 3.07Å; V185-A188 WeakPolarHBondContact O-CB 3.23Å; V185-A188 PolarHBondContact O-N 3.27Å; V185-A188 VanDerWaalsContact O-N 3.09Å
186	S	97.1	Very high	98.4	Very high	59 Å²	59	25.4 Å²	25.4	41%	0.413	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	55.7	24.9	-178	-53.2	0	0	0	0	113.9	Q144 N184	Q144-S186 PolarHBondContact O-OG 2.77Å; Q144-S186 VanDerWaalsContact O-OG 3.08Å; N184-S186 PolarHBondContact O-N 3.49Å
187	G	97.7	Very high	98.4	Very high	18 Å²	18	24.7 Å²	24.7	19%	0.186	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	74.9	25.5	-179.6	0	0	0	0	0	113.8	N184 V185 W189 N190 H191	N184-G187 PolarHBondContact O-N 3.46Å; N184-G187 VanDerWaalsContact O-N 3.12Å; N184-G187 VanDerWaalsContact OD1-CA 3.31Å; N184-G187 WeakPolarHBondContact OD1-CA 3.18Å; V185-G187 PolarHBondContact O-N 3.03Å; V185-G187 VanDerWaalsContact O-N 3.07Å; G187-W189 PolarHBondContact O-N 2.96Å; G187-W189 VanDerWaalsContact O-N 3.12Å; G187-N190 WeakPolarHBondContact O-CA 3.3Å; G187-N190 VanDerWaalsContact O-CB 3.3Å; G187-N190 WeakPolarHBondContact O-CB 3.45Å; G187-N190 PolarHBondContact O-N 3.15Å; G187-H191 PolarHBondContact O-N 3.35Å
188	A	98.5	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-51.7	-35.5	-177.8	0	0	0	0	0	114.1	L141 F145 L181 N184 V185 H191 W192	L141-A188 HydrophobicContact CD1-CB 4.22Å; L141-A188 HydrophobicContact CD2-CB 4.34Å; F145-A188 HydrophobicContact CE1-CB 4.1Å; F145-A188 HydrophobicContact CZ-CB 4.03Å; L181-A188 HydrophobicContact CD1-CB 3.85Å; N184-A188 PolarHBondContact OD1-N 2.04Å; N184-A188 VanDerWaalsContact OD1-N 3.15Å; V185-A188 WeakPolarHBondContact O-CB 3.23Å; V185-A188 PolarHBondContact O-N 3.27Å; V185-A188 VanDerWaalsContact O-N 3.09Å; A188-H191 PolarHBondContact O-N 3.03Å; A188-W192 WeakPolarHBondContact O-CB 3.13Å; A188-W192 PolarHBondContact O-N 2.87Å
189	W	98.5	Very high	98.5	Very high	49 Å²	49	26 Å²	26	19%	0.186	14%	0.14	C	C	.	.	H	α-helix	trans	-66.1	-37.4	175.5	-65.7	12	0	0	0	111.9	L181 Y182 N184 G187 H191 W192 G193 P242 V243 Y246	L181-W189 VanDerWaalsContact O-CD1 3.29Å; L181-W189 PolarHBondContact O-NE1 2.84Å; Y182-W189 WeakPolarHBondContact O-CZ2 3.35Å; Y182-W189 PolarHBondContact O-NE1 3Å; N184-W189 HydrophobicContact CB-CB 4.31Å; N184-W189 HydrophobicContact CB-CD2 3.81Å; N184-W189 HydrophobicContact CB-CG 3.65Å; N184-W189 VanDerWaalsContact OD1-CB 3.23Å; N184-W189 WeakPolarHBondContact OD1-CB 3.24Å; N184-W189 PolarHBondContact OD1-N 3.41Å; G187-W189 PolarHBondContact O-N 2.96Å; G187-W189 VanDerWaalsContact O-N 3.12Å; W189-H191 VanDerWaalsContact C-N 3.35Å; W189-W192 PolarHBondContact O-N 3.46Å; W189-G193 PolarHBondContact O-N 3.18Å; W189-P242 HydrophobicContact CH2-CB 3.91Å; W189-P242 HydrophobicContact CZ2-CB 4.44Å; W189-V243 HydrophobicContact CH2-CG2 4.46Å; W189-V243 HydrophobicContact CZ2-CB 4.36Å; W189-V243 HydrophobicContact CZ2-CG2 3.52Å; W189-Y246 HydrophobicContact CB-CD1 3.8Å; W189-Y246 HydrophobicContact CB-CE1 3.78Å; W189-Y246 HydrophobicContact CB-CG 4.47Å; W189-Y246 HydrophobicContact CE3-CD1 4.21Å; W189-Y246 AromaticContact CE3-CD2 4Å; W189-Y246 HydrophobicContact CE3-CD2 4Å; W189-Y246 AromaticContact CE3-CG 3.73Å; W189-Y246 HydrophobicContact CE3-CG 3.73Å; W189-Y246 HydrophobicContact CZ3-CG 4.39Å; W189-Y246 VanDerWaalsContact O-CE1 3.26Å; W189-Y246 WeakPolarHBondContact O-CE1 3.46Å
190	N	98.5	Very high	98.5	Very high	75 Å²	75	25.7 Å²	25.7	40%	0.401	14%	0.139	S	C	.	.	H	α-helix	trans	-62.3	-46.3	175.4	-64.5	-22.6	0	0	0	110.3	G187 W192 G193 D194 Y246	G187-N190 WeakPolarHBondContact O-CA 3.3Å; G187-N190 VanDerWaalsContact O-CB 3.3Å; G187-N190 WeakPolarHBondContact O-CB 3.45Å; G187-N190 PolarHBondContact O-N 3.15Å; N190-W192 PolarHBondContact O-N 3.01Å; N190-G193 CarbonylContact O-C 3.24Å; N190-G193 PolarHBondContact O-N 3.16Å; N190-D194 WeakPolarHBondContact O-CB 3.26Å; N190-D194 PolarHBondContact O-N 3.04Å; N190-Y246 PolarHBondContact OD1-OH 3.15Å
191	H	98.4	Very high	98.5	Very high	25 Å²	25	30.2 Å²	30.2	12%	0.116	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-38.6	179.3	-66.7	-44.3	0	0	0	113.2	W86 W140 L141 G187 A188 W189 D194 F195	W86-H191 HydrophobicContact CZ2-CB 3.84Å; W86-H191 WeakPolarHBondContact CZ2-O 3.46Å; W140-H191 HydrophobicContact CH2-CB 3.85Å; W140-H191 AromaticContact CH2-CG 3.68Å; W140-H191 AromaticContact CH2-ND1 3.87Å; W140-H191 HydrophobicContact CZ3-CB 4.41Å; W140-H191 AromaticContact CZ3-CD2 3.85Å; W140-H191 AromaticContact CZ3-CG 3.86Å; L141-H191 HydrophobicContact CD2-CB 4.45Å; G187-H191 PolarHBondContact O-N 3.35Å; A188-H191 PolarHBondContact O-N 3.03Å; W189-H191 VanDerWaalsContact C-N 3.35Å; H191-D194 PolarHBondContact O-N 2.64Å; H191-F195 PolarHBondContact O-N 3.46Å; H191-F195 VanDerWaalsContact O-N 3.14Å
192	W	98.6	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.8	-39.8	175.7	-163.8	-2.6	0	0	0	111.3	W86 M122 L181 A188 W189 N190 F195 W196 L214 I215 V243 Y244 L247	W86-W192 HydrophobicContact CE3-CG 4.47Å; W86-W192 VanDerWaalsContact CH2-CA 3.4Å; W86-W192 HydrophobicContact CH2-CB 3.4Å; W86-W192 AromaticContact CH2-CG 3.79Å; W86-W192 HydrophobicContact CH2-CG 3.79Å; W86-W192 VanDerWaalsContact CZ2-CA 3.47Å; W86-W192 HydrophobicContact CZ2-CB 4.03Å; W86-W192 VanDerWaalsContact CZ2-N 3.34Å; W86-W192 HydrophobicContact CZ3-CB 3.85Å; W86-W192 AromaticContact CZ3-CD1 3.82Å; W86-W192 HydrophobicContact CZ3-CD2 4.12Å; W86-W192 AromaticContact CZ3-CG 3.68Å; W86-W192 HydrophobicContact CZ3-CG 3.68Å; M122-W192 PolarHBondContact SD-NE1 3.39Å; M122-W192 VanDerWaalsContact SD-NE1 3.44Å; L181-W192 HydrophobicContact CD1-CE3 3.99Å; L181-W192 HydrophobicContact CD1-CZ3 4.36Å; L181-W192 HydrophobicContact CD2-CZ3 4.17Å; L181-W192 HydrophobicContact CG-CE3 4.29Å; L181-W192 HydrophobicContact CG-CZ3 4.14Å; A188-W192 WeakPolarHBondContact O-CB 3.13Å; A188-W192 PolarHBondContact O-N 2.87Å; W189-W192 PolarHBondContact O-N 3.46Å; N190-W192 PolarHBondContact O-N 3.01Å; W192-F195 WeakPolarHBondContact O-CB 3.3Å; W192-F195 PolarHBondContact O-N 3Å; W192-W196 AromaticContact CD1-CD1 3.53Å; W192-W196 AromaticContact CD1-NE1 3.72Å; W192-W196 AromaticContact NE1-CD1 3.57Å; W192-W196 AromaticContact NE1-NE1 3.27Å; W192-W196 PolarHBondContact O-N 2.63Å; W192-W196 VanDerWaalsContact O-N 3.14Å; W192-L214 WeakPolarHBondContact CZ2-O 2.92Å; W192-L214 PolarHBondContact NE1-O 2.96Å; W192-I215 HydrophobicContact CH2-CB 4.15Å; W192-I215 HydrophobicContact CH2-CD1 3.89Å; W192-I215 HydrophobicContact CH2-CG2 3.83Å; W192-I215 HydrophobicContact CZ2-CB 3.64Å; W192-I215 HydrophobicContact CZ2-CD1 4Å; W192-I215 HydrophobicContact CZ2-CG1 4.41Å; W192-I215 HydrophobicContact CZ2-CG2 3.68Å; W192-V243 HydrophobicContact CE3-CG1 3.62Å; W192-V243 HydrophobicContact CH2-CG1 4.08Å; W192-V243 HydrophobicContact CZ3-CG1 3.41Å; W192-V243 VanDerWaalsContact CZ3-CG1 3.41Å; W192-Y244 HydrophobicContact CH2-CE1 4.29Å; W192-L247 HydrophobicContact CB-CD2 3.79Å; W192-L247 HydrophobicContact CD2-CD1 3.67Å; W192-L247 HydrophobicContact CD2-CD2 4Å; W192-L247 HydrophobicContact CD2-CG 4.4Å; W192-L247 HydrophobicContact CE3-CD1 4.21Å; W192-L247 HydrophobicContact CG-CD1 4.05Å; W192-L247 HydrophobicContact CG-CD2 3.62Å; W192-L247 HydrophobicContact CG-CG 4.47Å; W192-L247 HydrophobicContact CH2-CD1 4.16Å; W192-L247 HydrophobicContact CZ2-CD1 3.58Å; W192-L247 HydrophobicContact CZ3-CD1 4.47Å
193	G	98.7	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-43.3	171.2	0	0	0	0	0	112.1	W189 N190 F195 W196 E197	W189-G193 PolarHBondContact O-N 3.18Å; N190-G193 CarbonylContact O-C 3.24Å; N190-G193 PolarHBondContact O-N 3.16Å; G193-F195 VanDerWaalsContact C-N 3.33Å; G193-F195 PolarHBondContact O-N 2.64Å; G193-W196 PolarHBondContact O-N 3.49Å; G193-E197 WeakPolarHBondContact O-CB 3.38Å; G193-E197 WeakPolarHBondContact O-CG 3.29Å; G193-E197 PolarHBondContact O-N 3.36Å
194	D	98.5	Very high	98.4	Very high	47 Å²	47	28.4 Å²	28.4	25%	0.251	15%	0.152	S	C	.	.	H	α-helix	trans	-60.8	-42.3	177.5	-68.9	-13.2	0	0	0	111.6	N190 H191 E197 I198 R250	N190-D194 WeakPolarHBondContact O-CB 3.26Å; N190-D194 PolarHBondContact O-N 3.04Å; H191-D194 PolarHBondContact O-N 2.64Å; D194-E197 PolarHBondContact O-N 3.43Å; D194-I198 VanDerWaalsContact O-CD1 3.3Å; D194-I198 WeakPolarHBondContact O-CD1 3.45Å; D194-I198 WeakPolarHBondContact O-CG1 3.09Å; D194-I198 PolarHBondContact O-N 2.73Å; D194-R250 IonicContact OD1-NH2 2.64Å; D194-R250 PolarHBondContact OD1-NH2 3.47Å
195	F	98.8	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-55.3	172.7	165.3	-96.7	0	0	0	110.8	I84 W86 V89 M122 H191 W192 G193 E197 I198 I199	I84-F195 HydrophobicContact CG2-CZ 4.15Å; I84-F195 WeakPolarHBondContact O-CZ 3.39Å; W86-F195 HydrophobicContact CB-CD2 3.99Å; W86-F195 HydrophobicContact CB-CE2 4.06Å; W86-F195 HydrophobicContact CB-CG 4.45Å; W86-F195 AromaticContact CD1-CD2 3.67Å; W86-F195 AromaticContact CD1-CG 3.92Å; W86-F195 HydrophobicContact CD2-CB 4.34Å; W86-F195 HydrophobicContact CD2-CG 4.42Å; W86-F195 HydrophobicContact CG-CB 4.22Å; W86-F195 AromaticContact CG-CD2 3.86Å; W86-F195 HydrophobicContact CG-CD2 3.86Å; W86-F195 HydrophobicContact CG-CE2 4.43Å; W86-F195 HydrophobicContact CG-CG 4.02Å; V89-F195 HydrophobicContact CB-CD2 3.78Å; V89-F195 HydrophobicContact CB-CE2 3.86Å; V89-F195 HydrophobicContact CG1-CD2 4.03Å; V89-F195 HydrophobicContact CG1-CE2 4.42Å; V89-F195 HydrophobicContact CG2-CD2 3.94Å; V89-F195 HydrophobicContact CG2-CE2 3.5Å; V89-F195 VanDerWaalsContact CG2-CE2 3.5Å; M122-F195 HydrophobicContact CB-CE1 3.82Å; M122-F195 HydrophobicContact CB-CZ 4.07Å; M122-F195 HydrophobicContact CG-CD1 4.31Å; M122-F195 HydrophobicContact CG-CE1 3.57Å; M122-F195 HydrophobicContact CG-CZ 3.75Å; M122-F195 HydrophobicContact SD-CE1 4.47Å; H191-F195 PolarHBondContact O-N 3.46Å; H191-F195 VanDerWaalsContact O-N 3.14Å; W192-F195 WeakPolarHBondContact O-CB 3.3Å; W192-F195 PolarHBondContact O-N 3Å; G193-F195 VanDerWaalsContact C-N 3.33Å; G193-F195 PolarHBondContact O-N 2.64Å; F195-E197 VanDerWaalsContact C-N 3.33Å; F195-E197 PolarHBondContact O-N 2.71Å; F195-I198 WeakPolarHBondContact O-CB 3.33Å; F195-I198 PolarHBondContact O-N 3.46Å; F195-I199 HydrophobicContact CE1-CG1 4.31Å; F195-I199 HydrophobicContact CE2-CG1 4.2Å; F195-I199 HydrophobicContact CZ-CG1 4.06Å; F195-I199 WeakPolarHBondContact O-CG1 3.29Å; F195-I199 PolarHBondContact O-N 2.82Å; F195-I199 VanDerWaalsContact O-N 3.11Å
196	W	98.8	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-30.1	-178.1	-83.6	121.2	0	0	0	113.8	M122 W192 G193 I199 A200 Y212 D213 L214 I251	M122-W196 HydrophobicContact CB-CH2 4.3Å; M122-W196 HydrophobicContact CB-CZ2 3.65Å; W192-W196 AromaticContact CD1-CD1 3.53Å; W192-W196 AromaticContact CD1-NE1 3.72Å; W192-W196 AromaticContact NE1-CD1 3.57Å; W192-W196 AromaticContact NE1-NE1 3.27Å; W192-W196 PolarHBondContact O-N 2.63Å; W192-W196 VanDerWaalsContact O-N 3.14Å; G193-W196 PolarHBondContact O-N 3.49Å; W196-I199 HydrophobicContact CE3-CB 4.07Å; W196-I199 HydrophobicContact CE3-CG1 4.43Å; W196-I199 HydrophobicContact CE3-CG2 4.02Å; W196-I199 HydrophobicContact CZ3-CB 4.36Å; W196-I199 HydrophobicContact CZ3-CG2 3.87Å; W196-I199 PolarHBondContact O-N 3.33Å; W196-A200 VanDerWaalsContact O-CB 3.26Å; W196-A200 WeakPolarHBondContact O-CB 3.32Å; W196-A200 PolarHBondContact O-N 3.36Å; W196-Y212 HydrophobicContact CE3-CD1 4.45Å; W196-Y212 HydrophobicContact CE3-CD2 4.48Å; W196-Y212 HydrophobicContact CE3-CG 4.05Å; W196-Y212 HydrophobicContact CH2-CG 4.48Å; W196-Y212 AromaticContact CZ3-CD1 3.8Å; W196-Y212 HydrophobicContact CZ3-CD1 3.8Å; W196-Y212 HydrophobicContact CZ3-CD2 4.48Å; W196-Y212 AromaticContact CZ3-CG 3.64Å; W196-Y212 HydrophobicContact CZ3-CG 3.64Å; W196-D213 WeakPolarHBondContact CH2-O 3.37Å; W196-D213 WeakPolarHBondContact CZ2-O 3.23Å; W196-L214 HydrophobicContact CD2-CD2 4.4Å; W196-L214 VanDerWaalsContact CZ2-CA 3.44Å; W196-L214 HydrophobicContact CZ2-CD2 4.39Å; W196-L214 PolarHBondContact NE1-O 2.84Å; W196-L214 VanDerWaalsContact NE1-O 3.16Å; W196-I251 HydrophobicContact CB-CD1 3.87Å; W196-I251 HydrophobicContact CB-CG1 3.61Å; W196-I251 HydrophobicContact CD2-CD1 4.09Å; W196-I251 HydrophobicContact CE3-CD1 4.32Å; W196-I251 HydrophobicContact CG-CD1 3.9Å; W196-I251 HydrophobicContact CG-CG1 4.22Å
197	E	98.7	Very high	98.3	Very high	11 Å²	11	34.4 Å²	34.4	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-66.9	-39.6	172.2	-76.5	-170.2	163.3	0	0	112.5	G193 D194 F195 I199 A200 K201 R250 Y254	G193-E197 WeakPolarHBondContact O-CB 3.38Å; G193-E197 WeakPolarHBondContact O-CG 3.29Å; G193-E197 PolarHBondContact O-N 3.36Å; D194-E197 PolarHBondContact O-N 3.43Å; F195-E197 VanDerWaalsContact C-N 3.33Å; F195-E197 PolarHBondContact O-N 2.71Å; E197-I199 VanDerWaalsContact C-N 3.35Å; E197-A200 PolarHBondContact O-N 3.34Å; E197-K201 WeakPolarHBondContact O-CB 3.07Å; E197-K201 WeakPolarHBondContact O-CD 3.11Å; E197-K201 WeakPolarHBondContact O-CG 3.48Å; E197-K201 PolarHBondContact O-N 3.01Å; E197-R250 HydrophobicContact CG-CB 3.95Å; E197-R250 IonicContact OE1-CZ 3.4Å; E197-R250 IonicContact OE1-NE 3.37Å; E197-R250 PolarHBondContact OE1-NE 3.43Å; E197-R250 IonicContact OE1-NH1 3.5Å; E197-R250 PolarHBondContact OE1-NH1 3.25Å; E197-R250 IonicContact OE1-NH2 2.65Å; E197-R250 PolarHBondContact OE1-NH2 3.45Å; E197-R250 IonicContact OE2-CZ 3.24Å; E197-R250 VanDerWaalsContact OE2-CZ 3.25Å; E197-R250 IonicContact OE2-NH1 3.32Å; E197-R250 PolarHBondContact OE2-NH1 3.03Å; E197-R250 IonicContact OE2-NH2 3.79Å; E197-R250 PolarHBondContact OE2-NH2 3.13Å; E197-Y254 HydrophobicContact CB-CD2 4.19Å; E197-Y254 HydrophobicContact CB-CE2 4.15Å; E197-Y254 VanDerWaalsContact CD-CE2 3.5Å; E197-Y254 HydrophobicContact CG-CD2 3.94Å; E197-Y254 HydrophobicContact CG-CE2 3.81Å
198	I	98.7	Very high	98.3	Very high	27 Å²	27	33.7 Å²	33.7	14%	0.138	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-47.6	174.7	-69.5	158.9	0	0	0	109.5	V89 K90 V96 L101 D194 F195 K201 Q202	V89-I198 HydrophobicContact CG1-CB 4.31Å; V89-I198 HydrophobicContact CG1-CD1 4.22Å; V89-I198 HydrophobicContact CG1-CG2 3.79Å; K90-I198 HydrophobicContact CD-CD1 4.02Å; K90-I198 HydrophobicContact CG-CD1 4.1Å; V96-I198 HydrophobicContact CB-CD1 4.46Å; V96-I198 HydrophobicContact CG1-CD1 4.06Å; V96-I198 HydrophobicContact CG1-CG2 4.01Å; V96-I198 HydrophobicContact CG2-CD1 3.55Å; V96-I198 HydrophobicContact CG2-CG1 4.38Å; L101-I198 HydrophobicContact CD1-CG2 3.56Å; L101-I198 HydrophobicContact CD2-CG2 4.15Å; D194-I198 VanDerWaalsContact O-CD1 3.3Å; D194-I198 WeakPolarHBondContact O-CD1 3.45Å; D194-I198 WeakPolarHBondContact O-CG1 3.09Å; D194-I198 PolarHBondContact O-N 2.73Å; F195-I198 WeakPolarHBondContact O-CB 3.33Å; F195-I198 PolarHBondContact O-N 3.46Å; I198-K201 PolarHBondContact O-N 2.98Å; I198-Q202 WeakPolarHBondContact O-CB 3.28Å; I198-Q202 PolarHBondContact O-N 2.51Å
199	I	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-46.9	177.6	-62.9	-43.9	0	0	0	111.8	I84 V89 L101 L120 F195 W196 E197 K201 Q202 Y203 Y212	I84-I199 HydrophobicContact CD1-CD1 3.33Å; I84-I199 HydrophobicContact CD1-CG1 4.23Å; I84-I199 HydrophobicContact CG1-CD1 3.94Å; V89-I199 HydrophobicContact CG1-CD1 4.5Å; V89-I199 HydrophobicContact CG2-CD1 3.85Å; L101-I199 HydrophobicContact CD2-CD1 3.91Å; L120-I199 HydrophobicContact CD1-CG2 3.85Å; F195-I199 HydrophobicContact CE1-CG1 4.31Å; F195-I199 HydrophobicContact CE2-CG1 4.2Å; F195-I199 HydrophobicContact CZ-CG1 4.06Å; F195-I199 WeakPolarHBondContact O-CG1 3.29Å; F195-I199 PolarHBondContact O-N 2.82Å; F195-I199 VanDerWaalsContact O-N 3.11Å; W196-I199 HydrophobicContact CE3-CB 4.07Å; W196-I199 HydrophobicContact CE3-CG1 4.43Å; W196-I199 HydrophobicContact CE3-CG2 4.02Å; W196-I199 HydrophobicContact CZ3-CB 4.36Å; W196-I199 HydrophobicContact CZ3-CG2 3.87Å; W196-I199 PolarHBondContact O-N 3.33Å; E197-I199 VanDerWaalsContact C-N 3.35Å; I199-K201 PolarHBondContact O-N 3.12Å; I199-Q202 PolarHBondContact O-N 3.41Å; I199-Y203 HydrophobicContact CD1-CD2 4.4Å; I199-Y203 HydrophobicContact CD1-CE2 3.96Å; I199-Y203 HydrophobicContact CG2-CD2 3.98Å; I199-Y203 PolarHBondContact O-N 3.34Å; I199-Y212 HydrophobicContact CG2-CD1 4.04Å; I199-Y212 HydrophobicContact CG2-CE1 3.77Å
200	A	98.8	Very high	98.3	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-40.5	179	0	0	0	0	0	112.5	W196 E197 G204 Y212 I251 D255	W196-A200 VanDerWaalsContact O-CB 3.26Å; W196-A200 WeakPolarHBondContact O-CB 3.32Å; W196-A200 PolarHBondContact O-N 3.36Å; E197-A200 PolarHBondContact O-N 3.34Å; A200-G204 VanDerWaalsContact O-CA 3.31Å; A200-G204 WeakPolarHBondContact O-CA 3.26Å; A200-G204 PolarHBondContact O-N 2.93Å; A200-Y212 HydrophobicContact CB-CE2 4.27Å; A200-I251 HydrophobicContact CB-CG2 4.17Å; A200-D255 HydrophobicContact CB-CB 4.12Å
201	K	98.5	Very high	98.3	Very high	111 Å²	111	28 Å²	28	48%	0.483	14%	0.135	S	C	.	.	H	α-helix	trans	-64.8	-45	175.3	-76.3	167.9	-178.4	163.5	0	112.1	E197 I198 I199 Y254	E197-K201 WeakPolarHBondContact O-CB 3.07Å; E197-K201 WeakPolarHBondContact O-CD 3.11Å; E197-K201 WeakPolarHBondContact O-CG 3.48Å; E197-K201 PolarHBondContact O-N 3.01Å; I198-K201 PolarHBondContact O-N 2.98Å; I199-K201 PolarHBondContact O-N 3.12Å; K201-Y254 HydrophobicContact CD-CD1 4.18Å; K201-Y254 HydrophobicContact CD-CE1 4.25Å; K201-Y254 HydrophobicContact CD-CG 4.31Å; K201-Y254 WeakPolarHBondContact CE-OH 3.38Å; K201-Y254 HydrophobicContact CG-CD1 3.65Å; K201-Y254 HydrophobicContact CG-CD2 4.16Å; K201-Y254 HydrophobicContact CG-CE1 4.22Å; K201-Y254 HydrophobicContact CG-CG 3.61Å; K201-Y254 VanDerWaalsContact NZ-CZ 3.31Å; K201-Y254 PolarHBondContact NZ-OH 3.38Å
202	Q	98.4	Very high	98.3	Very high	69 Å²	69	26.8 Å²	26.8	32%	0.322	13%	0.129	S	C	.	.	H	α-helix	trans	-72.5	-47.8	-175	-167.7	69	24.3	0	0	111.5	E105 I198 I199	E105-Q202 PolarHBondContact OE2-NE2 2.82Å; I198-Q202 WeakPolarHBondContact O-CB 3.28Å; I198-Q202 PolarHBondContact O-N 2.51Å; I199-Q202 PolarHBondContact O-N 3.41Å
203	Y	98.4	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-113	-6.6	-166.6	-50.9	-47.3	0	0	0	114.7	I84 L101 M104 E105 I108 L120 I199 K205 K206	I84-Y203 HydrophobicContact CD1-CD2 4.44Å; I84-Y203 HydrophobicContact CD1-CE2 3.65Å; L101-Y203 VanDerWaalsContact CA-OH 3.32Å; L101-Y203 WeakPolarHBondContact CA-OH 3.38Å; L101-Y203 HydrophobicContact CD2-CE2 4.4Å; L101-Y203 PolarHBondContact O-OH 3.06Å; M104-Y203 WeakPolarHBondContact CB-OH 3.49Å; E105-Y203 HydrophobicContact CB-CE1 3.85Å; E105-Y203 HydrophobicContact CG-CE1 4.49Å; I108-Y203 HydrophobicContact CD1-CD1 3.91Å; I108-Y203 HydrophobicContact CD1-CD2 4.06Å; I108-Y203 HydrophobicContact CD1-CE1 3.95Å; I108-Y203 HydrophobicContact CD1-CE2 4.1Å; I108-Y203 HydrophobicContact CD1-CG 3.98Å; L120-Y203 HydrophobicContact CD1-CD2 3.47Å; L120-Y203 VanDerWaalsContact CD1-CD2 3.47Å; L120-Y203 HydrophobicContact CD1-CE2 4.2Å; L120-Y203 HydrophobicContact CD1-CG 4.19Å; I199-Y203 HydrophobicContact CD1-CD2 4.4Å; I199-Y203 HydrophobicContact CD1-CE2 3.96Å; I199-Y203 HydrophobicContact CG2-CD2 3.98Å; I199-Y203 PolarHBondContact O-N 3.34Å; Y203-K205 PolarHBondContact O-N 3.21Å; Y203-K206 HydrophobicContact CD1-CD 4.24Å; Y203-K206 WeakPolarHBondContact O-CB 3.26Å; Y203-K206 PolarHBondContact O-N 3.22Å
204	G	97.5	Very high	98.3	Very high	7 Å²	7	26.8 Å²	26.8	7%	0.072	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26	-173.2	0	0	0	0	0	114.9	K27 A200 Y212 D255	K27-G204 WeakPolarHBondContact CE-O 3.21Å; K27-G204 PolarHBondContact NZ-O 3.44Å; A200-G204 VanDerWaalsContact O-CA 3.31Å; A200-G204 WeakPolarHBondContact O-CA 3.26Å; A200-G204 PolarHBondContact O-N 2.93Å; G204-Y212 VanDerWaalsContact CA-OH 3.28Å; G204-Y212 WeakPolarHBondContact CA-OH 3.34Å; G204-Y212 PolarHBondContact N-OH 3Å; G204-D255 WeakPolarHBondContact CA-OD2 3.45Å
205	K	96.9	Very high	98.3	Very high	207 Å²	207	24.5 Å²	24.5	90%	0.9	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.1	175.8	-67.7	-179.1	-179.2	176.5	0	114.4	Y203 S207	Y203-K205 PolarHBondContact O-N 3.21Å; K205-S207 PolarHBondContact O-N 3.33Å
206	K	97.5	Very high	98.3	Very high	30 Å²	30	24.6 Å²	24.6	13%	0.13	12%	0.117	C	C	.	.			trans	-72.6	121	-179	-65.8	-168.9	-176	-73.1	0	110.2	K27 E105 I108 D109 Y203 N208 V209	K27-K206 WeakPolarHBondContact CE-O 3.17Å; K27-K206 PolarHBondContact NZ-O 3.27Å; E105-K206 WeakPolarHBondContact OE1-CE 3.47Å; E105-K206 IonicContact OE1-NZ 2.63Å; E105-K206 PolarHBondContact OE1-NZ 3Å; I108-K206 HydrophobicContact CB-CD 4.37Å; I108-K206 HydrophobicContact CG2-CD 3.62Å; D109-K206 WeakPolarHBondContact OD1-CE 3.29Å; D109-K206 IonicContact OD1-NZ 3.43Å; D109-K206 PolarHBondContact OD1-NZ 3.04Å; D109-K206 IonicContact OD2-NZ 3.49Å; D109-K206 PolarHBondContact OD2-NZ 2.79Å; Y203-K206 HydrophobicContact CD1-CD 4.24Å; Y203-K206 WeakPolarHBondContact O-CB 3.26Å; Y203-K206 PolarHBondContact O-N 3.22Å; K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 3.42Å; K206-V209 HydrophobicContact CB-CG2 3.75Å; K206-V209 PolarHBondContact O-N 3.03Å
207	S	96.5	Very high	98.2	Very high	44 Å²	44	25.9 Å²	25.9	31%	0.308	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.7	-171.4	55.9	0	0	0	0	113.7	L25 S26 K205	L25-S207 WeakPolarHBondContact O-CB 3.46Å; L25-S207 PolarHBondContact O-OG 3.22Å; S26-S207 CarbonylContact C-O 3.51Å; K205-S207 PolarHBondContact O-N 3.33Å
208	N	97.6	Very high	98.2	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.2	178.3	76.2	-49.9	0	0	0	113.9	L25 I108 A112 I116 Y117 V118 K206 L210	L25-N208 HydrophobicContact CB-CB 4.21Å; L25-N208 HydrophobicContact CD1-CB 3.43Å; L25-N208 VanDerWaalsContact CD1-CB 3.43Å; L25-N208 HydrophobicContact CG-CB 4.47Å; I108-N208 PolarHBondContact O-ND2 2.93Å; A112-N208 HydrophobicContact CB-CB 3.88Å; A112-N208 VanDerWaalsContact CB-CG 3.48Å; A112-N208 WeakPolarHBondContact CB-ND2 3.24Å; A112-N208 PolarHBondContact N-ND2 2.76Å; I116-N208 PolarHBondContact O-ND2 2.86Å; Y117-N208 CarbonylContact C-O 3.46Å; Y117-N208 VanDerWaalsContact CA-O 3.22Å; Y117-N208 WeakPolarHBondContact CA-O 3.07Å; Y117-N208 HydrophobicContact CD1-CB 4.49Å; Y117-N208 VanDerWaalsContact CD1-O 3.32Å; Y117-N208 WeakPolarHBondContact CD1-O 3.35Å; V118-N208 PolarHBondContact N-O 2.93Å; K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 3.42Å; N208-L210 PolarHBondContact O-N 3.14Å
209	V	98.6	Very high	98	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	99.7	169.1	178.9	0	0	0	0	108	K27 I108 V118 L120 K206 Y212 T258	K27-V209 PolarHBondContact NZ-O 2.69Å; I108-V209 HydrophobicContact CG2-CG2 3.85Å; V118-V209 HydrophobicContact CG2-CB 4.23Å; V118-V209 HydrophobicContact CG2-CG2 3.75Å; L120-V209 HydrophobicContact CD1-CG1 4.07Å; L120-V209 HydrophobicContact CG-CG1 4.19Å; K206-V209 HydrophobicContact CB-CG2 3.75Å; K206-V209 PolarHBondContact O-N 3.03Å; V209-Y212 HydrophobicContact CG1-CD1 4.35Å; V209-Y212 HydrophobicContact CG1-CE1 3.75Å; V209-T258 HydrophobicContact CG1-CG2 3.99Å
210	L	98.7	Very high	97.9	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-46.2	-178.6	178.6	59	0	0	0	110.5	I28 F36 F46 V79 Y117 V118 I119 N208 L259 F261 F351	I28-L210 HydrophobicContact CB-CD1 3.64Å; I28-L210 HydrophobicContact CG1-CD1 3.82Å; I28-L210 HydrophobicContact CG2-CD1 3.85Å; F36-L210 HydrophobicContact CD1-CD1 4.42Å; F46-L210 HydrophobicContact CD1-CD2 4.38Å; F46-L210 HydrophobicContact CD2-CD2 3.95Å; F46-L210 HydrophobicContact CE1-CD2 4.4Å; F46-L210 HydrophobicContact CE2-CD1 3.89Å; F46-L210 HydrophobicContact CE2-CD2 3.93Å; F46-L210 HydrophobicContact CG-CD2 4.18Å; F46-L210 HydrophobicContact CZ-CD1 3.89Å; F46-L210 HydrophobicContact CZ-CD2 4.19Å; V79-L210 HydrophobicContact CG2-CD2 4Å; Y117-L210 HydrophobicContact CD1-CB 4.2Å; V118-L210 WeakPolarHBondContact O-CB 3.39Å; V118-L210 PolarHBondContact O-N 2.83Å; I119-L210 HydrophobicContact CD1-CD2 4.19Å; I119-L210 HydrophobicContact CG1-CB 4.29Å; I119-L210 HydrophobicContact CG1-CD2 3.88Å; I119-L210 HydrophobicContact CG1-CG 4.33Å; N208-L210 PolarHBondContact O-N 3.14Å; L210-L259 HydrophobicContact CD1-CD1 3.74Å; L210-L259 HydrophobicContact CG-CD1 4.31Å; L210-L259 VanDerWaalsContact O-CB 3.24Å; L210-L259 WeakPolarHBondContact O-CB 3.37Å; L210-L259 VanDerWaalsContact O-CG 3.29Å; L210-L259 WeakPolarHBondContact O-CG 3.48Å; L210-L259 PolarHBondContact O-N 3.39Å; L210-F261 HydrophobicContact CD2-CZ 4.12Å; L210-F261 HydrophobicContact CG-CE2 4.23Å; L210-F261 HydrophobicContact CG-CZ 4.16Å; L210-F351 HydrophobicContact CD2-CE2 4.25Å
211	G	98.8	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	175.4	-177.8	0	0	0	0	0	115.8	L120 L259	L120-G211 PolarHBondContact N-O 3.31Å; G211-L259 CarbonylContact C-O 3.53Å; G211-L259 WeakPolarHBondContact CA-O 3.34Å
212	Y	98.9	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.7	176.7	-60.5	-32.9	0	0	0	109.2	L120 W196 I199 A200 G204 V209 I251 D255 T258 L259 I260 F261	L120-Y212 HydrophobicContact CB-CD1 4.29Å; L120-Y212 HydrophobicContact CD1-CD1 4.28Å; L120-Y212 HydrophobicContact CD1-CE1 4.04Å; W196-Y212 HydrophobicContact CE3-CD1 4.45Å; W196-Y212 HydrophobicContact CE3-CD2 4.48Å; W196-Y212 HydrophobicContact CE3-CG 4.05Å; W196-Y212 HydrophobicContact CH2-CG 4.48Å; W196-Y212 AromaticContact CZ3-CD1 3.8Å; W196-Y212 HydrophobicContact CZ3-CD1 3.8Å; W196-Y212 HydrophobicContact CZ3-CD2 4.48Å; W196-Y212 AromaticContact CZ3-CG 3.64Å; W196-Y212 HydrophobicContact CZ3-CG 3.64Å; I199-Y212 HydrophobicContact CG2-CD1 4.04Å; I199-Y212 HydrophobicContact CG2-CE1 3.77Å; A200-Y212 HydrophobicContact CB-CE2 4.27Å; G204-Y212 VanDerWaalsContact CA-OH 3.28Å; G204-Y212 WeakPolarHBondContact CA-OH 3.34Å; G204-Y212 PolarHBondContact N-OH 3Å; V209-Y212 HydrophobicContact CG1-CD1 4.35Å; V209-Y212 HydrophobicContact CG1-CE1 3.75Å; Y212-I251 HydrophobicContact CD2-CD1 4.38Å; Y212-I251 HydrophobicContact CD2-CG2 3.93Å; Y212-I251 HydrophobicContact CE2-CG2 3.91Å; Y212-D255 PolarHBondContact OH-OD2 2.88Å; Y212-D255 VanDerWaalsContact OH-OD2 3.12Å; Y212-T258 HydrophobicContact CD1-CG2 4.19Å; Y212-T258 HydrophobicContact CD2-CG2 4.1Å; Y212-T258 HydrophobicContact CE1-CG2 3.92Å; Y212-T258 HydrophobicContact CE2-CG2 3.81Å; Y212-T258 HydrophobicContact CG-CG2 4.27Å; Y212-L259 PolarHBondContact N-O 2.94Å; Y212-I260 HydrophobicContact CD2-CD1 3.95Å; Y212-F261 PolarHBondContact O-N 3.45Å
213	D	98.9	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.5	174.1	-155.4	-7.8	0	0	0	109.7	R81 I119 L120 D121 M122 W196 I215 F261 S302	R81-D213 IonicContact CZ-OD2 3.02Å; R81-D213 IonicContact NE-OD2 2.77Å; R81-D213 PolarHBondContact NE-OD2 2.84Å; R81-D213 IonicContact NH2-OD2 3.26Å; R81-D213 PolarHBondContact NH2-OD2 3.24Å; I119-D213 HydrophobicContact CG2-CB 4.02Å; L120-D213 PolarHBondContact O-N 3.22Å; D121-D213 HydrophobicContact CB-CB 4.05Å; M122-D213 PolarHBondContact N-O 3Å; M122-D213 VanDerWaalsContact N-O 3.13Å; W196-D213 WeakPolarHBondContact CH2-O 3.37Å; W196-D213 WeakPolarHBondContact CZ2-O 3.23Å; D213-I215 PolarHBondContact O-N 2.91Å; D213-I215 VanDerWaalsContact O-N 3.17Å; D213-F261 HydrophobicContact CB-CB 3.83Å; D213-S302 PolarHBondContact OD2-OG 3.17Å
214	L	98.9	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.			trans	-59.7	-34.1	-160.1	-70.7	-179.4	0	0	0	113.6	W192 W196 Y244 L247 I248 I251 I260 F261	W192-L214 WeakPolarHBondContact CZ2-O 2.92Å; W192-L214 PolarHBondContact NE1-O 2.96Å; W196-L214 HydrophobicContact CD2-CD2 4.4Å; W196-L214 VanDerWaalsContact CZ2-CA 3.44Å; W196-L214 HydrophobicContact CZ2-CD2 4.39Å; W196-L214 PolarHBondContact NE1-O 2.84Å; W196-L214 VanDerWaalsContact NE1-O 3.16Å; L214-Y244 HydrophobicContact CB-CD1 4.33Å; L214-Y244 HydrophobicContact CB-CE1 4.16Å; L214-Y244 HydrophobicContact CD1-CD1 3.67Å; L214-Y244 HydrophobicContact CD1-CD2 4.29Å; L214-Y244 HydrophobicContact CD1-CE1 4.25Å; L214-Y244 HydrophobicContact CD1-CG 3.7Å; L214-L247 HydrophobicContact CD2-CB 4.36Å; L214-L247 HydrophobicContact CD2-CD1 4.41Å; L214-I248 HydrophobicContact CD1-CG1 4.43Å; L214-I251 HydrophobicContact CD2-CD1 3.74Å; L214-I260 HydrophobicContact CD1-CG2 3.7Å; L214-I260 HydrophobicContact CD2-CG2 3.99Å; L214-I260 HydrophobicContact CG-CG2 3.72Å; L214-F261 WeakPolarHBondContact CG-O 3.37Å; L214-F261 PolarHBondContact N-O 3.13Å
215	I	98.6	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.			trans	-170.3	131.5	175.3	179.2	163.4	0	0	0	109.1	M122 Q124 W192 D213 P218 Y244	M122-I215 HydrophobicContact CE-CB 4.43Å; M122-I215 HydrophobicContact CE-CD1 4.11Å; M122-I215 HydrophobicContact CE-CG1 3.97Å; M122-I215 HydrophobicContact SD-CB 4.46Å; Q124-I215 HydrophobicContact CG-CD1 4.03Å; Q124-I215 HydrophobicContact CG-CG1 3.86Å; W192-I215 HydrophobicContact CH2-CB 4.15Å; W192-I215 HydrophobicContact CH2-CD1 3.89Å; W192-I215 HydrophobicContact CH2-CG2 3.83Å; W192-I215 HydrophobicContact CZ2-CB 3.64Å; W192-I215 HydrophobicContact CZ2-CD1 4Å; W192-I215 HydrophobicContact CZ2-CG1 4.41Å; W192-I215 HydrophobicContact CZ2-CG2 3.68Å; D213-I215 PolarHBondContact O-N 2.91Å; D213-I215 VanDerWaalsContact O-N 3.17Å; I215-P218 HydrophobicContact CG2-CB 3.99Å; I215-P218 HydrophobicContact CG2-CG 4.42Å; I215-Y244 HydrophobicContact CG2-CE1 3.76Å; I215-Y244 VanDerWaalsContact CG2-OH 3.27Å; I215-Y244 WeakPolarHBondContact CG2-OH 3.43Å
216	N	98.3	Very high	97.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.092	C	C	.	.	S	Bend	trans	-66.4	133.5	170.3	-176.6	71.9	0	0	0	111.7	R81 M122 H123 Q124 H304 E354	R81-N216 PolarHBondContact NH2-OD1 2.75Å; M122-N216 PolarHBondContact O-N 2.9Å; M122-N216 VanDerWaalsContact O-N 3.12Å; H123-N216 HydrophobicContact CB-CB 4.44Å; H123-N216 PolarHBondContact CE1-ND2 3.47Å; H123-N216 PolarHBondContact CE1-OD1 3.06Å; H123-N216 VanDerWaalsContact CE1-OD1 3.3Å; H123-N216 PolarHBondContact ND1-OD1 3.38Å; Q124-N216 PolarHBondContact NE2-O 2.91Å; Q124-N216 PolarHBondContact O-ND2 3.28Å; N216-H304 PolarHBondContact OD1-CE1 3.23Å; N216-E354 PolarHBondContact OD1-OE1 3.37Å
217	E	97.1	Very high	97.5	Very high	28 Å²	28	20.2 Å²	20.2	13%	0.131	12%	0.115	C	C	.	.	S	Bend	trans	43.1	60.6	168.8	-62.6	-155.4	149.4	0	0	114.8	Q124 Y169 P219 E263 T266 H304	Q124-E217 PolarHBondContact NE2-O 3.33Å; Q124-E217 VanDerWaalsContact NE2-O 3.13Å; Y169-E217 PolarHBondContact OH-O 3.47Å; E217-P219 WeakPolarHBondContact O-CD 3.12Å; E217-E263 WeakPolarHBondContact CA-OE2 3.46Å; E217-E263 PolarHBondContact N-OE2 3.33Å; E217-T266 WeakPolarHBondContact CA-OG1 3.1Å; E217-T266 WeakPolarHBondContact CB-OG1 3.4Å; E217-T266 HydrophobicContact CG-CG2 4.26Å; E217-T266 WeakPolarHBondContact OE1-CG2 3.08Å; E217-H304 WeakPolarHBondContact CG-ND1 3.48Å; E217-H304 IonicContact OE1-ND1 3.53Å; E217-H304 PolarHBondContact OE1-ND1 3.43Å; E217-H304 VanDerWaalsContact OE1-ND1 3.14Å
218	P	97.4	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.			trans	-62.5	127.3	-173.3	25.6	-35.3	0	0	0	111.6	I215 L240 E263 P264	I215-P218 HydrophobicContact CG2-CB 3.99Å; I215-P218 HydrophobicContact CG2-CG 4.42Å; P218-L240 HydrophobicContact CB-CD1 3.97Å; P218-L240 HydrophobicContact CB-CD2 3.64Å; P218-L240 HydrophobicContact CB-CG 4.48Å; P218-L240 HydrophobicContact CG-CD1 3.67Å; P218-L240 HydrophobicContact CG-CD2 4.26Å; P218-E263 HydrophobicContact CG-CB 4.16Å; P218-P264 WeakPolarHBondContact CD-O 3.32Å; P218-P264 WeakPolarHBondContact CG-O 3.48Å
219	P	95.8	Very high	97.4	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.019	12%	0.12	C	C	.	.			trans	-64.9	156.6	177.6	21.2	-30.8	0	0	0	113	L127 Y169 A178 Y182 E217 G221	L127-P219 HydrophobicContact CD2-CG 3.98Å; Y169-P219 HydrophobicContact CD1-CB 3.66Å; Y169-P219 HydrophobicContact CD1-CG 4.18Å; Y169-P219 HydrophobicContact CE1-CB 3.97Å; Y169-P219 HydrophobicContact CE1-CG 4.05Å; Y169-P219 HydrophobicContact CG-CB 4.38Å; A178-P219 HydrophobicContact CB-CB 3.96Å; A178-P219 HydrophobicContact CB-CG 3.5Å; Y182-P219 VanDerWaalsContact CE2-O 3.27Å; Y182-P219 WeakPolarHBondContact CE2-O 3.21Å; Y182-P219 VanDerWaalsContact OH-CD 3.31Å; Y182-P219 WeakPolarHBondContact OH-CD 3.4Å; Y182-P219 PolarHBondContact OH-O 3.14Å; E217-P219 WeakPolarHBondContact O-CD 3.12Å; P219-G221 PolarHBondContact O-N 3.34Å
220	P	95.5	Very high	97.2	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.058	13%	0.134	C	C	.	.			trans	-67	-20.3	178.6	22.7	-31.5	0	0	0	114.8	F223 R229 A235 N239 V265 Y267	P220-F223 HydrophobicContact CG-CD1 4.25Å; P220-R229 WeakPolarHBondContact CB-O 3.09Å; P220-A235 HydrophobicContact CB-CB 4.13Å; P220-A235 WeakPolarHBondContact O-CB 3.42Å; P220-N239 PolarHBondContact O-ND2 2.84Å; P220-V265 HydrophobicContact CB-CG1 4.26Å; P220-V265 HydrophobicContact CB-CG2 4.44Å; P220-Y267 WeakPolarHBondContact CB-OH 3.12Å; P220-Y267 HydrophobicContact CG-CE1 4.44Å
221	G	97.2	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.			trans	94.8	-168	-168.9	0	0	0	0	0	113	T175 P219 F223	T175-G221 CarbonylContact O-C 3.24Å; P219-G221 PolarHBondContact O-N 3.34Å; G221-F223 PolarHBondContact O-N 3.39Å
222	N	97.8	Very high	97	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	16%	0.157	C	C	.	.			trans	-81.7	87.4	-170	-170.5	-25.9	0	0	0	111.8	T175 N176 Q179 Y224 S225 N226 R229	T175-N222 WeakPolarHBondContact O-CA 3.12Å; T175-N222 WeakPolarHBondContact O-CB 3.22Å; T175-N222 PolarHBondContact O-N 3.03Å; N176-N222 PolarHBondContact OD1-ND2 3.05Å; Q179-N222 HydrophobicContact CB-CB 3.61Å; Q179-N222 HydrophobicContact CG-CB 4.09Å; N222-Y224 VanDerWaalsContact C-N 3.29Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.47Å; N222-Y224 PolarHBondContact OD1-N 2.7Å; N222-Y224 VanDerWaalsContact OD1-N 3.1Å; N222-S225 PolarHBondContact O-N 2.86Å; N222-S225 PolarHBondContact O-OG 3.3Å; N222-S225 PolarHBondContact OD1-N 2.77Å; N222-S225 PolarHBondContact OD1-OG 2.84Å; N222-N226 PolarHBondContact O-N 2.89Å; N222-R229 WeakPolarHBondContact O-CD 3.31Å; N222-R229 PolarHBondContact O-NH1 3.01Å; N222-R229 VanDerWaalsContact O-NH1 3.08Å
223	F	97.1	Very high	96.9	Very high	41 Å²	41	28.7 Å²	28.7	18%	0.18	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-15	176.7	58.7	-101.4	0	0	0	114.1	L170 T175 P220 G221 S225 N226 P227 R229	L170-F223 HydrophobicContact CD2-CZ 4.2Å; T175-F223 HydrophobicContact CG2-CD1 4.08Å; T175-F223 HydrophobicContact CG2-CE1 3.48Å; T175-F223 VanDerWaalsContact CG2-CE1 3.48Å; T175-F223 HydrophobicContact CG2-CZ 4.07Å; P220-F223 HydrophobicContact CG-CD1 4.25Å; G221-F223 PolarHBondContact O-N 3.39Å; F223-S225 VanDerWaalsContact C-N 3.34Å; F223-N226 WeakPolarHBondContact CA-O 3.26Å; F223-N226 CarbonylContact O-C 3.42Å; F223-N226 VanDerWaalsContact O-C 3.24Å; F223-P227 VanDerWaalsContact O-CA 3.27Å; F223-P227 WeakPolarHBondContact O-CA 3.04Å; F223-P227 VanDerWaalsContact O-N 3.17Å; F223-R229 HydrophobicContact CB-CB 4.33Å
224	Y	97.1	Very high	96.8	Very high	81 Å²	81	30.7 Å²	30.7	32%	0.318	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.9	172	-64.7	-77.8	0	0	0	112.3	W156 P157 L170 Y172 N222	W156-Y224 AromaticContact CH2-CD1 3.71Å; W156-Y224 HydrophobicContact CH2-CD1 3.71Å; W156-Y224 AromaticContact CH2-CE1 3.56Å; W156-Y224 HydrophobicContact CH2-CE1 3.56Å; W156-Y224 HydrophobicContact CH2-CG 4.45Å; W156-Y224 AromaticContact CZ3-CD1 3.72Å; W156-Y224 HydrophobicContact CZ3-CD1 3.72Å; W156-Y224 HydrophobicContact CZ3-CD2 4.25Å; W156-Y224 AromaticContact CZ3-CE1 3.41Å; W156-Y224 HydrophobicContact CZ3-CE1 3.41Å; W156-Y224 VanDerWaalsContact CZ3-CE1 3.41Å; W156-Y224 AromaticContact CZ3-CE2 3.99Å; W156-Y224 HydrophobicContact CZ3-CE2 3.99Å; W156-Y224 HydrophobicContact CZ3-CG 4.13Å; W156-Y224 AromaticContact CZ3-CZ 3.57Å; P157-Y224 WeakPolarHBondContact CD-OH 3.32Å; P157-Y224 WeakPolarHBondContact CG-OH 3.24Å; L170-Y224 PolarHBondContact O-OH 3.19Å; Y172-Y224 HydrophobicContact CD2-CD1 4.4Å; Y172-Y224 AromaticContact CD2-CD2 3.68Å; Y172-Y224 HydrophobicContact CD2-CD2 3.68Å; Y172-Y224 HydrophobicContact CD2-CE2 4.46Å; Y172-Y224 AromaticContact CD2-CG 3.65Å; Y172-Y224 HydrophobicContact CD2-CG 3.65Å; Y172-Y224 HydrophobicContact CE2-CD2 4.45Å; Y172-Y224 HydrophobicContact CE2-CG 4.15Å; Y172-Y224 HydrophobicContact CG-CD2 4.21Å; N222-Y224 VanDerWaalsContact C-N 3.29Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.47Å; N222-Y224 PolarHBondContact OD1-N 2.7Å; N222-Y224 VanDerWaalsContact OD1-N 3.1Å
225	S	96.3	Very high	96.7	Very high	73 Å²	73	30.7 Å²	30.7	51%	0.51	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-28.6	175.9	61.5	0	0	0	0	113.6	N222 F223 R229	N222-S225 PolarHBondContact O-N 2.86Å; N222-S225 PolarHBondContact O-OG 3.3Å; N222-S225 PolarHBondContact OD1-N 2.77Å; N222-S225 PolarHBondContact OD1-OG 2.84Å; F223-S225 VanDerWaalsContact C-N 3.34Å; S225-R229 PolarHBondContact OG-NH1 2.95Å
226	N	97.1	Very high	96.6	Very high	39 Å²	39	30.7 Å²	30.7	21%	0.209	17%	0.165	C	C	.	.			trans	-143.9	102.6	171.7	179.9	-2.4	0	0	0	109.8	N222 F223 L228 R229 Y234	N222-N226 PolarHBondContact O-N 2.89Å; F223-N226 WeakPolarHBondContact CA-O 3.26Å; F223-N226 CarbonylContact O-C 3.42Å; F223-N226 VanDerWaalsContact O-C 3.24Å; N226-L228 PolarHBondContact O-N 3.4Å; N226-L228 WeakPolarHBondContact OD1-CB 3.42Å; N226-L228 PolarHBondContact OD1-N 3.37Å; N226-L228 VanDerWaalsContact OD1-N 3.08Å; N226-R229 HydrophobicContact CB-CG 4.36Å; N226-R229 WeakPolarHBondContact O-CB 2.98Å; N226-R229 PolarHBondContact O-N 2.86Å; N226-Y234 PolarHBondContact ND2-OH 3.02Å
227	P	96.3	Very high	96.5	Very high	95 Å²	95	34.8 Å²	34.8	62%	0.617	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-55.1	-25	-177.4	-28	35.5	0	0	0	114.2	F223 R229 G230	F223-P227 VanDerWaalsContact O-CA 3.27Å; F223-P227 WeakPolarHBondContact O-CA 3.04Å; F223-P227 VanDerWaalsContact O-N 3.17Å; P227-R229 PolarHBondContact O-N 3.33Å; P227-G230 PolarHBondContact O-N 3.03Å
228	L	95.3	Very high	96.5	Very high	63 Å²	63	39.1 Å²	39.1	33%	0.33	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-61.3	-27	178.9	-64.9	177.7	0	0	0	113.1	N226 G230 F231 Y234	N226-L228 PolarHBondContact O-N 3.4Å; N226-L228 WeakPolarHBondContact OD1-CB 3.42Å; N226-L228 PolarHBondContact OD1-N 3.37Å; N226-L228 VanDerWaalsContact OD1-N 3.08Å; L228-G230 PolarHBondContact O-N 3.02Å; L228-F231 HydrophobicContact CD2-CD2 4.17Å; L228-F231 HydrophobicContact CD2-CE2 4.19Å; L228-F231 WeakPolarHBondContact O-CB 3.28Å; L228-F231 PolarHBondContact O-N 2.81Å; L228-Y234 HydrophobicContact CB-CD1 4.09Å; L228-Y234 HydrophobicContact CB-CD2 3.8Å; L228-Y234 HydrophobicContact CB-CE1 4.16Å; L228-Y234 HydrophobicContact CB-CE2 3.85Å; L228-Y234 HydrophobicContact CB-CG 3.93Å; L228-Y234 HydrophobicContact CD1-CD2 4.24Å; L228-Y234 HydrophobicContact CD1-CE2 3.83Å; L228-Y234 HydrophobicContact CG-CE2 4.5Å; L228-Y234 VanDerWaalsContact O-CB 3.27Å; L228-Y234 WeakPolarHBondContact O-CB 3.45Å
229	R	95.8	Very high	96.5	Very high	30 Å²	30	39.6 Å²	39.6	11%	0.113	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.6	-23.2	176.6	-66.4	171.9	-179.4	136.4	-8.1	112.6	Q179 E183 P220 N222 F223 S225 N226 P227 F231 Y234	Q179-R229 VanDerWaalsContact CD-NE 3.29Å; Q179-R229 VanDerWaalsContact NE2-NH2 3.12Å; E183-R229 IonicContact OE1-NH2 3.21Å; E183-R229 PolarHBondContact OE1-NH2 2.83Å; P220-R229 WeakPolarHBondContact CB-O 3.09Å; N222-R229 WeakPolarHBondContact O-CD 3.31Å; N222-R229 PolarHBondContact O-NH1 3.01Å; N222-R229 VanDerWaalsContact O-NH1 3.08Å; F223-R229 HydrophobicContact CB-CB 4.33Å; S225-R229 PolarHBondContact OG-NH1 2.95Å; N226-R229 HydrophobicContact CB-CG 4.36Å; N226-R229 WeakPolarHBondContact O-CB 2.98Å; N226-R229 PolarHBondContact O-N 2.86Å; P227-R229 PolarHBondContact O-N 3.33Å; R229-F231 PolarHBondContact O-N 3.02Å; R229-Y234 HydrophobicContact CG-CD1 4.07Å; R229-Y234 HydrophobicContact CG-CE1 3.82Å
230	G	95	Very high	96.6	Very high	29 Å²	29	39.5 Å²	39.5	30%	0.299	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-68.9	-11.3	171.9	0	0	0	0	0	113.5	P227 L228 Y267	P227-G230 PolarHBondContact O-N 3.03Å; L228-G230 PolarHBondContact O-N 3.02Å; G230-Y267 PolarHBondContact O-OH 2.98Å
231	F	96	Very high	96.7	Very high	101 Å²	101	39.9 Å²	39.9	44%	0.443	20%	0.199	S	C	.	.	S	Bend	trans	-89.7	126.4	169.6	-63	-76.1	0	0	0	109.9	L228 R229 G233 Y234 A235 W278	L228-F231 HydrophobicContact CD2-CD2 4.17Å; L228-F231 HydrophobicContact CD2-CE2 4.19Å; L228-F231 WeakPolarHBondContact O-CB 3.28Å; L228-F231 PolarHBondContact O-N 2.81Å; R229-F231 PolarHBondContact O-N 3.02Å; F231-G233 VanDerWaalsContact C-N 3.33Å; F231-G233 PolarHBondContact O-N 2.9Å; F231-Y234 WeakPolarHBondContact O-CB 3.17Å; F231-Y234 PolarHBondContact O-N 2.95Å; F231-Y234 VanDerWaalsContact O-N 3.13Å; F231-A235 PolarHBondContact O-N 3.4Å; F231-W278 CarbonylContact C-O 3.49Å; F231-W278 HydrophobicContact CB-CB 4.2Å; F231-W278 VanDerWaalsContact CB-O 3.23Å; F231-W278 WeakPolarHBondContact CB-O 3.31Å; F231-W278 HydrophobicContact CG-CB 4.35Å
232	P	96.6	Very high	96.8	Very high	7 Å²	7	42.2 Å²	42.2	5%	0.045	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-31.9	-165.9	27.2	-30.8	0	0	0	112.3	A235 G236 V265 Y267 G280	P232-A235 PolarHBondContact O-N 3.17Å; P232-G236 PolarHBondContact O-N 3.12Å; P232-V265 HydrophobicContact CB-CB 4.13Å; P232-V265 HydrophobicContact CB-CG1 4.45Å; P232-Y267 HydrophobicContact CB-CD2 3.94Å; P232-Y267 HydrophobicContact CB-CE2 3.64Å; P232-Y267 HydrophobicContact CG-CD2 3.94Å; P232-Y267 HydrophobicContact CG-CE2 3.77Å; P232-G280 CarbonylContact C-O 3.5Å
233	G	96.7	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.7	-34.7	176.6	0	0	0	0	0	112.4	F231 R237 G277 W278 G280 G282	F231-G233 VanDerWaalsContact C-N 3.33Å; F231-G233 PolarHBondContact O-N 2.9Å; G233-R237 VanDerWaalsContact O-CB 3.24Å; G233-R237 WeakPolarHBondContact O-CB 3.07Å; G233-R237 PolarHBondContact O-N 2.73Å; G233-G277 CarbonylContact C-O 3.56Å; G233-G277 WeakPolarHBondContact CA-O 3.46Å; G233-W278 VanDerWaalsContact CA-O 3.26Å; G233-W278 WeakPolarHBondContact CA-O 3.47Å; G233-W278 PolarHBondContact N-O 3.25Å; G233-G280 WeakPolarHBondContact CA-O 3.35Å; G233-G280 PolarHBondContact N-O 3.39Å; G233-G280 VanDerWaalsContact N-O 3.14Å; G233-G282 WeakPolarHBondContact O-CA 3.26Å
234	Y	96.5	Very high	96.9	Very high	41 Å²	41	40.1 Å²	40.1	16%	0.161	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-49.6	173.7	-177.5	-79.5	0	0	0	110.2	N226 L228 R229 F231 G236 R237 Y238 G277 W278	N226-Y234 PolarHBondContact ND2-OH 3.02Å; L228-Y234 HydrophobicContact CB-CD1 4.09Å; L228-Y234 HydrophobicContact CB-CD2 3.8Å; L228-Y234 HydrophobicContact CB-CE1 4.16Å; L228-Y234 HydrophobicContact CB-CE2 3.85Å; L228-Y234 HydrophobicContact CB-CG 3.93Å; L228-Y234 HydrophobicContact CD1-CD2 4.24Å; L228-Y234 HydrophobicContact CD1-CE2 3.83Å; L228-Y234 HydrophobicContact CG-CE2 4.5Å; L228-Y234 VanDerWaalsContact O-CB 3.27Å; L228-Y234 WeakPolarHBondContact O-CB 3.45Å; R229-Y234 HydrophobicContact CG-CD1 4.07Å; R229-Y234 HydrophobicContact CG-CE1 3.82Å; F231-Y234 WeakPolarHBondContact O-CB 3.17Å; F231-Y234 PolarHBondContact O-N 2.95Å; F231-Y234 VanDerWaalsContact O-N 3.13Å; Y234-G236 PolarHBondContact O-N 3.29Å; Y234-R237 PolarHBondContact O-N 2.89Å; Y234-Y238 AromaticContact CD1-CD2 3.96Å; Y234-Y238 HydrophobicContact CD1-CD2 3.96Å; Y234-Y238 AromaticContact CD2-CD2 3.54Å; Y234-Y238 HydrophobicContact CD2-CD2 3.54Å; Y234-Y238 AromaticContact CD2-CE2 3.62Å; Y234-Y238 HydrophobicContact CD2-CE2 3.62Å; Y234-Y238 AromaticContact CE1-CD2 3.93Å; Y234-Y238 HydrophobicContact CE1-CD2 3.93Å; Y234-Y238 HydrophobicContact CE1-CG 4.34Å; Y234-Y238 AromaticContact CE2-CD2 3.51Å; Y234-Y238 HydrophobicContact CE2-CD2 3.51Å; Y234-Y238 AromaticContact CE2-CE2 3.6Å; Y234-Y238 HydrophobicContact CE2-CE2 3.6Å; Y234-Y238 HydrophobicContact CE2-CG 4.39Å; Y234-Y238 AromaticContact CG-CD2 3.77Å; Y234-Y238 HydrophobicContact CG-CD2 3.77Å; Y234-Y238 HydrophobicContact CG-CE2 4.26Å; Y234-Y238 AromaticContact CZ-CD2 3.7Å; Y234-Y238 WeakPolarHBondContact O-CB 3.44Å; Y234-Y238 VanDerWaalsContact O-CD2 3.3Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.02Å; Y234-Y238 PolarHBondContact O-N 3.42Å; Y234-G277 PolarHBondContact N-O 3.49Å; Y234-W278 PolarHBondContact N-O 3.2Å
235	A	97.3	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-46.3	177.1	0	0	0	0	0	112	P220 F231 P232 R237 Y238 N239 L240 V265	P220-A235 HydrophobicContact CB-CB 4.13Å; P220-A235 WeakPolarHBondContact O-CB 3.42Å; F231-A235 PolarHBondContact O-N 3.4Å; P232-A235 PolarHBondContact O-N 3.17Å; A235-R237 VanDerWaalsContact C-N 3.3Å; A235-R237 PolarHBondContact O-N 2.98Å; A235-Y238 PolarHBondContact O-N 3.43Å; A235-N239 WeakPolarHBondContact O-CA 3.48Å; A235-N239 VanDerWaalsContact O-CB 3.23Å; A235-N239 WeakPolarHBondContact O-CB 3.49Å; A235-N239 PolarHBondContact O-N 2.83Å; A235-L240 PolarHBondContact O-N 3.07Å; A235-L240 VanDerWaalsContact O-N 3.08Å; A235-V265 HydrophobicContact CB-CG2 3.65Å
236	G	97	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-58.3	-41.2	176.2	0	0	0	0	0	112.8	P232 Y234 L241 T281 F283	P232-G236 PolarHBondContact O-N 3.12Å; Y234-G236 PolarHBondContact O-N 3.29Å; G236-L241 VanDerWaalsContact O-CB 3.32Å; G236-L241 WeakPolarHBondContact O-CB 3.23Å; G236-L241 PolarHBondContact O-N 2.83Å; G236-T281 WeakPolarHBondContact CA-O 3.31Å; G236-F283 WeakPolarHBondContact O-CE1 3.34Å
237	R	95.8	Very high	97.1	Very high	88 Å²	88	34.2 Å²	34.2	33%	0.332	17%	0.17	S	C	.	.	I	π-helix	trans	-73.9	-43.5	-179.2	-176.6	173.5	-176.7	171.8	0.3	114	G233 Y234 A235	G233-R237 VanDerWaalsContact O-CB 3.24Å; G233-R237 WeakPolarHBondContact O-CB 3.07Å; G233-R237 PolarHBondContact O-N 2.73Å; Y234-R237 PolarHBondContact O-N 2.89Å; A235-R237 VanDerWaalsContact C-N 3.3Å; A235-R237 PolarHBondContact O-N 2.98Å
238	Y	96.7	Very high	97.2	Very high	119 Å²	119	30.2 Å²	30.2	47%	0.467	14%	0.143	S	C	.	.	I	π-helix	trans	-103.4	-22.8	-168.4	-66.5	-73.5	0	0	0	113.9	Y234 A235	Y234-Y238 AromaticContact CD1-CD2 3.96Å; Y234-Y238 HydrophobicContact CD1-CD2 3.96Å; Y234-Y238 AromaticContact CD2-CD2 3.54Å; Y234-Y238 HydrophobicContact CD2-CD2 3.54Å; Y234-Y238 AromaticContact CD2-CE2 3.62Å; Y234-Y238 HydrophobicContact CD2-CE2 3.62Å; Y234-Y238 AromaticContact CE1-CD2 3.93Å; Y234-Y238 HydrophobicContact CE1-CD2 3.93Å; Y234-Y238 HydrophobicContact CE1-CG 4.34Å; Y234-Y238 AromaticContact CE2-CD2 3.51Å; Y234-Y238 HydrophobicContact CE2-CD2 3.51Å; Y234-Y238 AromaticContact CE2-CE2 3.6Å; Y234-Y238 HydrophobicContact CE2-CE2 3.6Å; Y234-Y238 HydrophobicContact CE2-CG 4.39Å; Y234-Y238 AromaticContact CG-CD2 3.77Å; Y234-Y238 HydrophobicContact CG-CD2 3.77Å; Y234-Y238 HydrophobicContact CG-CE2 4.26Å; Y234-Y238 AromaticContact CZ-CD2 3.7Å; Y234-Y238 WeakPolarHBondContact O-CB 3.44Å; Y234-Y238 VanDerWaalsContact O-CD2 3.3Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.02Å; Y234-Y238 PolarHBondContact O-N 3.42Å; A235-Y238 PolarHBondContact O-N 3.43Å
239	N	97.7	Very high	97.4	Very high	10 Å²	10	30 Å²	30	5%	0.053	14%	0.14	C	C	.	.	I	π-helix	trans	-102.7	-60.9	174.7	-72.8	-18.2	0	0	0	110.9	Q179 Y182 P220 A235 V243	Q179-N239 PolarHBondContact NE2-OD1 3.4Å; Q179-N239 PolarHBondContact OE1-ND2 3.43Å; Q179-N239 VanDerWaalsContact OE1-ND2 3.1Å; Y182-N239 HydrophobicContact CD1-CB 4.43Å; Y182-N239 HydrophobicContact CD2-CB 3.52Å; Y182-N239 HydrophobicContact CE2-CB 4.11Å; Y182-N239 HydrophobicContact CG-CB 3.72Å; P220-N239 PolarHBondContact O-ND2 2.84Å; A235-N239 WeakPolarHBondContact O-CA 3.48Å; A235-N239 VanDerWaalsContact O-CB 3.23Å; A235-N239 WeakPolarHBondContact O-CB 3.49Å; A235-N239 PolarHBondContact O-N 2.83Å; N239-V243 WeakPolarHBondContact O-CG2 3.45Å
240	L	98.3	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-74.3	-50.3	-168	-55.5	-178.6	0	0	0	113.9	Y182 P218 A235 V243 Y244 V265 F283	Y182-L240 HydrophobicContact CD1-CD2 4.38Å; Y182-L240 HydrophobicContact CE1-CD2 3.6Å; Y182-L240 HydrophobicContact CE2-CD2 4.36Å; P218-L240 HydrophobicContact CB-CD1 3.97Å; P218-L240 HydrophobicContact CB-CD2 3.64Å; P218-L240 HydrophobicContact CB-CG 4.48Å; P218-L240 HydrophobicContact CG-CD1 3.67Å; P218-L240 HydrophobicContact CG-CD2 4.26Å; A235-L240 PolarHBondContact O-N 3.07Å; A235-L240 VanDerWaalsContact O-N 3.08Å; L240-V243 PolarHBondContact O-N 3.03Å; L240-V243 VanDerWaalsContact O-N 3.13Å; L240-Y244 HydrophobicContact CB-CD2 4.31Å; L240-Y244 HydrophobicContact CB-CE2 3.94Å; L240-Y244 VanDerWaalsContact O-CG 3.31Å; L240-Y244 PolarHBondContact O-N 2.93Å; L240-V265 HydrophobicContact CD1-CG2 3.88Å; L240-F283 HydrophobicContact CB-CE1 4.12Å; L240-F283 HydrophobicContact CB-CZ 4.17Å; L240-F283 HydrophobicContact CD1-CZ 4.36Å
241	L	97.6	Very high	97.7	Very high	18 Å²	18	30.2 Å²	30.2	9%	0.094	13%	0.132	C	C	.	.	H	α-helix	trans	-56.7	-45.7	-173.9	-178.5	62.9	0	0	0	113.6	G236 V243 Y244 D245 F283 P287	G236-L241 VanDerWaalsContact O-CB 3.32Å; G236-L241 WeakPolarHBondContact O-CB 3.23Å; G236-L241 PolarHBondContact O-N 2.83Å; L241-V243 VanDerWaalsContact C-N 3.34Å; L241-V243 PolarHBondContact O-N 2.61Å; L241-Y244 PolarHBondContact O-N 3.3Å; L241-D245 VanDerWaalsContact O-CG 3.29Å; L241-D245 PolarHBondContact O-N 2.88Å; L241-F283 HydrophobicContact CB-CD1 3.97Å; L241-F283 HydrophobicContact CB-CE1 4Å; L241-F283 HydrophobicContact CD1-CD1 4.07Å; L241-F283 HydrophobicContact CG-CD1 4.45Å; L241-P287 HydrophobicContact CD1-CB 4.14Å; L241-P287 HydrophobicContact CD1-CG 3.92Å
242	P	98	Very high	97.8	Very high	48 Å²	48	26.7 Å²	26.7	31%	0.312	12%	0.116	S	C	.	.	H	α-helix	trans	-61.3	-40.5	176.8	-24.1	35.3	0	0	0	113.3	W189 Y246	W189-P242 HydrophobicContact CH2-CB 3.91Å; W189-P242 HydrophobicContact CZ2-CB 4.44Å; P242-Y246 PolarHBondContact O-N 3.02Å
243	V	98.3	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-46.5	179	-173.9	0	0	0	0	109.6	Y182 W189 W192 N239 L240 L241 D245 Y246 L247	Y182-V243 HydrophobicContact CD1-CG2 4.07Å; W189-V243 HydrophobicContact CH2-CG2 4.46Å; W189-V243 HydrophobicContact CZ2-CB 4.36Å; W189-V243 HydrophobicContact CZ2-CG2 3.52Å; W192-V243 HydrophobicContact CE3-CG1 3.62Å; W192-V243 HydrophobicContact CH2-CG1 4.08Å; W192-V243 HydrophobicContact CZ3-CG1 3.41Å; W192-V243 VanDerWaalsContact CZ3-CG1 3.41Å; N239-V243 WeakPolarHBondContact O-CG2 3.45Å; L240-V243 PolarHBondContact O-N 3.03Å; L240-V243 VanDerWaalsContact O-N 3.13Å; L241-V243 VanDerWaalsContact C-N 3.34Å; L241-V243 PolarHBondContact O-N 2.61Å; V243-D245 VanDerWaalsContact C-N 3.33Å; V243-D245 PolarHBondContact O-N 2.83Å; V243-Y246 WeakPolarHBondContact O-CA 3.31Å; V243-Y246 WeakPolarHBondContact O-CB 3.46Å; V243-Y246 PolarHBondContact O-N 3.49Å; V243-L247 HydrophobicContact CG1-CD1 4.18Å; V243-L247 HydrophobicContact CG1-CG 4.25Å; V243-L247 WeakPolarHBondContact O-CG 3.26Å; V243-L247 PolarHBondContact O-N 2.67Å
244	Y	98.7	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-38.2	178.8	-66.1	-10.6	0	0	0	112.6	W192 L214 I215 L240 L241 Y246 L247 I248 E263 F283 P287	W192-Y244 HydrophobicContact CH2-CE1 4.29Å; L214-Y244 HydrophobicContact CB-CD1 4.33Å; L214-Y244 HydrophobicContact CB-CE1 4.16Å; L214-Y244 HydrophobicContact CD1-CD1 3.67Å; L214-Y244 HydrophobicContact CD1-CD2 4.29Å; L214-Y244 HydrophobicContact CD1-CE1 4.25Å; L214-Y244 HydrophobicContact CD1-CG 3.7Å; I215-Y244 HydrophobicContact CG2-CE1 3.76Å; I215-Y244 VanDerWaalsContact CG2-OH 3.27Å; I215-Y244 WeakPolarHBondContact CG2-OH 3.43Å; L240-Y244 HydrophobicContact CB-CD2 4.31Å; L240-Y244 HydrophobicContact CB-CE2 3.94Å; L240-Y244 VanDerWaalsContact O-CG 3.31Å; L240-Y244 PolarHBondContact O-N 2.93Å; L241-Y244 PolarHBondContact O-N 3.3Å; Y244-Y246 VanDerWaalsContact C-N 3.29Å; Y244-Y246 PolarHBondContact O-N 2.63Å; Y244-L247 HydrophobicContact CD1-CD1 4.36Å; Y244-L247 PolarHBondContact O-N 2.66Å; Y244-I248 WeakPolarHBondContact O-CB 3.4Å; Y244-I248 VanDerWaalsContact O-CG1 3.26Å; Y244-I248 WeakPolarHBondContact O-CG1 3.38Å; Y244-I248 PolarHBondContact O-N 3.36Å; Y244-E263 VanDerWaalsContact CE2-O 3.25Å; Y244-E263 WeakPolarHBondContact CE2-O 3.4Å; Y244-E263 PolarHBondContact OH-O 3.29Å; Y244-F283 HydrophobicContact CD2-CE1 4.35Å; Y244-F283 HydrophobicContact CD2-CZ 4.15Å; Y244-F283 HydrophobicContact CE2-CE1 4.44Å; Y244-F283 AromaticContact CE2-CZ 3.85Å; Y244-F283 HydrophobicContact CE2-CZ 3.85Å; Y244-P287 HydrophobicContact CD2-CG 3.86Å; Y244-P287 HydrophobicContact CG-CG 4.34Å
245	D	98.6	Very high	98	Very high	17 Å²	17	35.5 Å²	35.5	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-44.3	171.7	-73.2	-27.7	0	0	0	111.9	L241 V243 E249 R285 P287 G288 N290	L241-D245 VanDerWaalsContact O-CG 3.29Å; L241-D245 PolarHBondContact O-N 2.88Å; V243-D245 VanDerWaalsContact C-N 3.33Å; V243-D245 PolarHBondContact O-N 2.83Å; D245-E249 PolarHBondContact O-N 2.65Å; D245-R285 IonicContact OD1-CZ 3.85Å; D245-R285 IonicContact OD1-NH1 3.54Å; D245-R285 PolarHBondContact OD1-NH1 3Å; D245-R285 IonicContact OD1-NH2 3.7Å; D245-R285 PolarHBondContact OD1-NH2 2.79Å; D245-R285 IonicContact OD2-CZ 2.59Å; D245-R285 IonicContact OD2-NH1 3.46Å; D245-R285 PolarHBondContact OD2-NH1 2.81Å; D245-R285 IonicContact OD2-NH2 2.86Å; D245-R285 PolarHBondContact OD2-NH2 3.45Å; D245-P287 WeakPolarHBondContact OD1-CA 3.21Å; D245-G288 PolarHBondContact OD1-N 2.93Å; D245-N290 PolarHBondContact OD2-ND2 3.43Å
246	Y	98.5	Very high	97.9	Very high	53 Å²	53	41.4 Å²	41.4	21%	0.208	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-48.1	178.1	-177.8	-92.6	0	0	0	111.6	W189 N190 P242 V243 Y244 I248 E249 R250	W189-Y246 HydrophobicContact CB-CD1 3.8Å; W189-Y246 HydrophobicContact CB-CE1 3.78Å; W189-Y246 HydrophobicContact CB-CG 4.47Å; W189-Y246 HydrophobicContact CE3-CD1 4.21Å; W189-Y246 AromaticContact CE3-CD2 4Å; W189-Y246 HydrophobicContact CE3-CD2 4Å; W189-Y246 AromaticContact CE3-CG 3.73Å; W189-Y246 HydrophobicContact CE3-CG 3.73Å; W189-Y246 HydrophobicContact CZ3-CG 4.39Å; W189-Y246 VanDerWaalsContact O-CE1 3.26Å; W189-Y246 WeakPolarHBondContact O-CE1 3.46Å; N190-Y246 PolarHBondContact OD1-OH 3.15Å; P242-Y246 PolarHBondContact O-N 3.02Å; V243-Y246 WeakPolarHBondContact O-CA 3.31Å; V243-Y246 WeakPolarHBondContact O-CB 3.46Å; V243-Y246 PolarHBondContact O-N 3.49Å; Y244-Y246 VanDerWaalsContact C-N 3.29Å; Y244-Y246 PolarHBondContact O-N 2.63Å; Y246-I248 PolarHBondContact O-N 3.48Å; Y246-E249 WeakPolarHBondContact O-CB 3.48Å; Y246-E249 PolarHBondContact O-N 3.36Å; Y246-R250 HydrophobicContact CD1-CG 4.19Å; Y246-R250 HydrophobicContact CE1-CG 3.81Å; Y246-R250 VanDerWaalsContact O-CG 3.31Å; Y246-R250 WeakPolarHBondContact O-CG 3.42Å; Y246-R250 PolarHBondContact O-N 2.9Å; Y246-R250 VanDerWaalsContact O-N 3.13Å
247	L	98.8	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-43.8	179.1	-62.3	178.2	0	0	0	111.8	W192 L214 V243 Y244 E249 R250 I251	W192-L247 HydrophobicContact CB-CD2 3.79Å; W192-L247 HydrophobicContact CD2-CD1 3.67Å; W192-L247 HydrophobicContact CD2-CD2 4Å; W192-L247 HydrophobicContact CD2-CG 4.4Å; W192-L247 HydrophobicContact CE3-CD1 4.21Å; W192-L247 HydrophobicContact CG-CD1 4.05Å; W192-L247 HydrophobicContact CG-CD2 3.62Å; W192-L247 HydrophobicContact CG-CG 4.47Å; W192-L247 HydrophobicContact CH2-CD1 4.16Å; W192-L247 HydrophobicContact CZ2-CD1 3.58Å; W192-L247 HydrophobicContact CZ3-CD1 4.47Å; L214-L247 HydrophobicContact CD2-CB 4.36Å; L214-L247 HydrophobicContact CD2-CD1 4.41Å; V243-L247 HydrophobicContact CG1-CD1 4.18Å; V243-L247 HydrophobicContact CG1-CG 4.25Å; V243-L247 WeakPolarHBondContact O-CG 3.26Å; V243-L247 PolarHBondContact O-N 2.67Å; Y244-L247 HydrophobicContact CD1-CD1 4.36Å; Y244-L247 PolarHBondContact O-N 2.66Å; L247-E249 VanDerWaalsContact C-N 3.34Å; L247-E249 PolarHBondContact O-N 3.05Å; L247-R250 WeakPolarHBondContact O-CB 3.46Å; L247-R250 PolarHBondContact O-N 3.19Å; L247-I251 VanDerWaalsContact O-CG1 3.31Å; L247-I251 WeakPolarHBondContact O-CG1 3.09Å; L247-I251 PolarHBondContact O-N 3.07Å
248	I	98.6	Very high	98	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.056	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-41.3	177.9	-69.7	175.6	0	0	0	110.6	L214 Y244 Y246 R250 I251 R252 I260 P287	L214-I248 HydrophobicContact CD1-CG1 4.43Å; Y244-I248 WeakPolarHBondContact O-CB 3.4Å; Y244-I248 VanDerWaalsContact O-CG1 3.26Å; Y244-I248 WeakPolarHBondContact O-CG1 3.38Å; Y244-I248 PolarHBondContact O-N 3.36Å; Y246-I248 PolarHBondContact O-N 3.48Å; I248-R250 VanDerWaalsContact C-N 3.26Å; I248-R250 PolarHBondContact O-N 3.4Å; I248-I251 PolarHBondContact O-N 3.24Å; I248-R252 HydrophobicContact CG2-CG 3.71Å; I248-R252 WeakPolarHBondContact O-CB 3.4Å; I248-R252 WeakPolarHBondContact O-CG 3.38Å; I248-R252 PolarHBondContact O-N 3.45Å; I248-I260 HydrophobicContact CD1-CB 4.25Å; I248-I260 HydrophobicContact CD1-CG1 4.22Å; I248-I260 HydrophobicContact CD1-CG2 3.77Å; I248-I260 HydrophobicContact CG1-CB 4.49Å; I248-I260 HydrophobicContact CG1-CD1 4.38Å; I248-I260 HydrophobicContact CG1-CG1 4.07Å; I248-I260 HydrophobicContact CG1-CG2 3.94Å; I248-P287 VanDerWaalsContact CD1-C 3.5Å; I248-P287 HydrophobicContact CD1-CB 3.51Å; I248-P287 WeakPolarHBondContact CD1-O 3.27Å
249	E	98.1	Very high	98.1	Very high	58 Å²	58	33.9 Å²	33.9	27%	0.271	16%	0.158	S	C	.	.	H	α-helix	trans	-56.4	-42.9	174.8	178.1	-179.8	-174.4	0	0	112.2	D245 Y246 L247 Q253 R291	D245-E249 PolarHBondContact O-N 2.65Å; Y246-E249 WeakPolarHBondContact O-CB 3.48Å; Y246-E249 PolarHBondContact O-N 3.36Å; L247-E249 VanDerWaalsContact C-N 3.34Å; L247-E249 PolarHBondContact O-N 3.05Å; E249-Q253 WeakPolarHBondContact O-CG 3.26Å; E249-Q253 PolarHBondContact O-N 3.19Å; E249-Q253 PolarHBondContact O-NE2 2.91Å; E249-R291 VanDerWaalsContact CD-NH2 3.35Å; E249-R291 IonicContact OE1-CZ 3.22Å; E249-R291 IonicContact OE1-NH1 2.61Å; E249-R291 PolarHBondContact OE1-NH1 3.44Å; E249-R291 IonicContact OE1-NH2 2.7Å; E249-R291 PolarHBondContact OE1-NH2 2.75Å; E249-R291 IonicContact OE2-CZ 3.64Å; E249-R291 IonicContact OE2-NE 3.19Å; E249-R291 PolarHBondContact OE2-NE 3.32Å; E249-R291 IonicContact OE2-NH1 3.78Å; E249-R291 PolarHBondContact OE2-NH1 2.89Å; E249-R291 IonicContact OE2-NH2 3.71Å; E249-R291 PolarHBondContact OE2-NH2 3.35Å
250	R	98.3	Very high	98.1	Very high	63 Å²	63	33.4 Å²	33.4	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-51.9	177.2	-60.9	-76.5	-73.5	148.7	-3.8	111.2	D194 E197 Y246 L247 I248 R252 Q253	D194-R250 IonicContact OD1-NH2 2.64Å; D194-R250 PolarHBondContact OD1-NH2 3.47Å; E197-R250 HydrophobicContact CG-CB 3.95Å; E197-R250 IonicContact OE1-CZ 3.4Å; E197-R250 IonicContact OE1-NE 3.37Å; E197-R250 PolarHBondContact OE1-NE 3.43Å; E197-R250 IonicContact OE1-NH1 3.5Å; E197-R250 PolarHBondContact OE1-NH1 3.25Å; E197-R250 IonicContact OE1-NH2 2.65Å; E197-R250 PolarHBondContact OE1-NH2 3.45Å; E197-R250 IonicContact OE2-CZ 3.24Å; E197-R250 VanDerWaalsContact OE2-CZ 3.25Å; E197-R250 IonicContact OE2-NH1 3.32Å; E197-R250 PolarHBondContact OE2-NH1 3.03Å; E197-R250 IonicContact OE2-NH2 3.79Å; E197-R250 PolarHBondContact OE2-NH2 3.13Å; Y246-R250 HydrophobicContact CD1-CG 4.19Å; Y246-R250 HydrophobicContact CE1-CG 3.81Å; Y246-R250 VanDerWaalsContact O-CG 3.31Å; Y246-R250 WeakPolarHBondContact O-CG 3.42Å; Y246-R250 PolarHBondContact O-N 2.9Å; Y246-R250 VanDerWaalsContact O-N 3.13Å; L247-R250 WeakPolarHBondContact O-CB 3.46Å; L247-R250 PolarHBondContact O-N 3.19Å; I248-R250 VanDerWaalsContact C-N 3.26Å; I248-R250 PolarHBondContact O-N 3.4Å; R250-R252 VanDerWaalsContact C-N 3.31Å; R250-R252 PolarHBondContact O-N 3.07Å; R250-Q253 WeakPolarHBondContact O-CB 3.24Å; R250-Q253 PolarHBondContact O-N 2.95Å; R250-Q253 VanDerWaalsContact O-N 3.07Å
251	I	98.7	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-54.2	-49.1	176.6	-70.8	164.8	0	0	0	110.9	W196 A200 Y212 L214 L247 I248 Q253 Y254 D255 I260	W196-I251 HydrophobicContact CB-CD1 3.87Å; W196-I251 HydrophobicContact CB-CG1 3.61Å; W196-I251 HydrophobicContact CD2-CD1 4.09Å; W196-I251 HydrophobicContact CE3-CD1 4.32Å; W196-I251 HydrophobicContact CG-CD1 3.9Å; W196-I251 HydrophobicContact CG-CG1 4.22Å; A200-I251 HydrophobicContact CB-CG2 4.17Å; Y212-I251 HydrophobicContact CD2-CD1 4.38Å; Y212-I251 HydrophobicContact CD2-CG2 3.93Å; Y212-I251 HydrophobicContact CE2-CG2 3.91Å; L214-I251 HydrophobicContact CD2-CD1 3.74Å; L247-I251 VanDerWaalsContact O-CG1 3.31Å; L247-I251 WeakPolarHBondContact O-CG1 3.09Å; L247-I251 PolarHBondContact O-N 3.07Å; I248-I251 PolarHBondContact O-N 3.24Å; I251-Q253 PolarHBondContact O-N 3.49Å; I251-Y254 PolarHBondContact O-N 2.88Å; I251-D255 PolarHBondContact O-N 2.95Å; I251-I260 HydrophobicContact CD1-CD1 3.78Å; I251-I260 HydrophobicContact CG2-CD1 4.05Å
252	R	98	Very high	98.2	Very high	27 Å²	27	32.6 Å²	32.6	10%	0.102	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.6	-176.1	-65.9	-58.3	178.2	-135.6	4.6	112.3	I248 R250 Y254 D255 K256 T258 I260	I248-R252 HydrophobicContact CG2-CG 3.71Å; I248-R252 WeakPolarHBondContact O-CB 3.4Å; I248-R252 WeakPolarHBondContact O-CG 3.38Å; I248-R252 PolarHBondContact O-N 3.45Å; R250-R252 VanDerWaalsContact C-N 3.31Å; R250-R252 PolarHBondContact O-N 3.07Å; R252-Y254 PolarHBondContact O-N 2.87Å; R252-D255 WeakPolarHBondContact CA-O 3.31Å; R252-D255 WeakPolarHBondContact CD-O 3.4Å; R252-D255 PolarHBondContact NH1-O 3.4Å; R252-K256 WeakPolarHBondContact O-CD 3.28Å; R252-K256 WeakPolarHBondContact O-CE 3.43Å; R252-K256 PolarHBondContact O-NZ 3.13Å; R252-T258 VanDerWaalsContact CZ-O 3.28Å; R252-T258 PolarHBondContact NH1-O 3.46Å; R252-T258 PolarHBondContact NH2-O 2.97Å; R252-I260 VanDerWaalsContact NH2-CG1 3.32Å
253	Q	97.8	Very high	98.3	Very high	112 Å²	112	30.4 Å²	30.4	52%	0.523	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.8	167.9	-61.8	-53.2	-41.9	0	0	112.6	E249 R250 I251	E249-Q253 WeakPolarHBondContact O-CG 3.26Å; E249-Q253 PolarHBondContact O-N 3.19Å; E249-Q253 PolarHBondContact O-NE2 2.91Å; R250-Q253 WeakPolarHBondContact O-CB 3.24Å; R250-Q253 PolarHBondContact O-N 2.95Å; R250-Q253 VanDerWaalsContact O-N 3.07Å; I251-Q253 PolarHBondContact O-N 3.49Å
254	Y	98.3	Very high	98.2	Very high	115 Å²	115	30.5 Å²	30.5	45%	0.451	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-27.7	-172	-58.9	-73.3	0	0	0	114	E197 K201 I251 R252	E197-Y254 HydrophobicContact CB-CD2 4.19Å; E197-Y254 HydrophobicContact CB-CE2 4.15Å; E197-Y254 VanDerWaalsContact CD-CE2 3.5Å; E197-Y254 HydrophobicContact CG-CD2 3.94Å; E197-Y254 HydrophobicContact CG-CE2 3.81Å; K201-Y254 HydrophobicContact CD-CD1 4.18Å; K201-Y254 HydrophobicContact CD-CE1 4.25Å; K201-Y254 HydrophobicContact CD-CG 4.31Å; K201-Y254 WeakPolarHBondContact CE-OH 3.38Å; K201-Y254 HydrophobicContact CG-CD1 3.65Å; K201-Y254 HydrophobicContact CG-CD2 4.16Å; K201-Y254 HydrophobicContact CG-CE1 4.22Å; K201-Y254 HydrophobicContact CG-CG 3.61Å; K201-Y254 VanDerWaalsContact NZ-CZ 3.31Å; K201-Y254 PolarHBondContact NZ-OH 3.38Å; I251-Y254 PolarHBondContact O-N 2.88Å; R252-Y254 PolarHBondContact O-N 2.87Å
255	D	98.1	Very high	98.1	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	14%	0.138	C	C	.	.			trans	-135	113.1	177.1	-176.4	-20.9	0	0	0	111.4	A200 G204 Y212 I251 R252 S257 T258	A200-D255 HydrophobicContact CB-CB 4.12Å; G204-D255 WeakPolarHBondContact CA-OD2 3.45Å; Y212-D255 PolarHBondContact OH-OD2 2.88Å; Y212-D255 VanDerWaalsContact OH-OD2 3.12Å; I251-D255 PolarHBondContact O-N 2.95Å; R252-D255 WeakPolarHBondContact CA-O 3.31Å; R252-D255 WeakPolarHBondContact CD-O 3.4Å; R252-D255 PolarHBondContact NH1-O 3.4Å; D255-S257 PolarHBondContact OD1-N 2.93Å; D255-S257 PolarHBondContact OD1-OG 2.86Å; D255-T258 PolarHBondContact OD1-N 3.48Å; D255-T258 PolarHBondContact OD1-OG1 2.87Å; D255-T258 WeakPolarHBondContact OD2-CB 3.19Å; D255-T258 PolarHBondContact OD2-OG1 3.45Å
256	K	96.3	Very high	97.8	Very high	125 Å²	125	31.4 Å²	31.4	54%	0.543	14%	0.143	S	C	.	.	S	Bend	trans	-88.9	-7.9	-175.3	-58.1	-66.9	179.6	-177.9	0	114.5	R252 K298	R252-K256 WeakPolarHBondContact O-CD 3.28Å; R252-K256 WeakPolarHBondContact O-CE 3.43Å; R252-K256 PolarHBondContact O-NZ 3.13Å; K256-K298 WeakPolarHBondContact O-CD 3.23Å; K256-K298 WeakPolarHBondContact O-CE 3.48Å; K256-K298 PolarHBondContact O-NZ 3.26Å
257	S	96.2	Very high	97.6	Very high	46 Å²	46	33.2 Å²	33.2	32%	0.322	15%	0.15	S	C	.	.	S	Bend	trans	-129.1	-34.9	-162.6	52.4	0	0	0	0	115.8	D255 L259	D255-S257 PolarHBondContact OD1-N 2.93Å; D255-S257 PolarHBondContact OD1-OG 2.86Å; S257-L259 PolarHBondContact O-N 3.39Å
258	T	98.3	Very high	97.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	15%	0.15	C	C	.	.	S	Bend	trans	-58.8	137.8	-177.7	-62.2	0	0	0	0	110.5	K27 V209 Y212 R252 D255	K27-T258 PolarHBondContact NZ-OG1 3.32Å; V209-T258 HydrophobicContact CG1-CG2 3.99Å; Y212-T258 HydrophobicContact CD1-CG2 4.19Å; Y212-T258 HydrophobicContact CD2-CG2 4.1Å; Y212-T258 HydrophobicContact CE1-CG2 3.92Å; Y212-T258 HydrophobicContact CE2-CG2 3.81Å; Y212-T258 HydrophobicContact CG-CG2 4.27Å; R252-T258 VanDerWaalsContact CZ-O 3.28Å; R252-T258 PolarHBondContact NH1-O 3.46Å; R252-T258 PolarHBondContact NH2-O 2.97Å; D255-T258 PolarHBondContact OD1-N 3.48Å; D255-T258 PolarHBondContact OD1-OG1 2.87Å; D255-T258 WeakPolarHBondContact OD2-CB 3.19Å; D255-T258 PolarHBondContact OD2-OG1 3.45Å
259	L	98.7	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	147.7	-175.8	-55.2	178.3	0	0	0	110.4	I28 L30 F36 L210 G211 Y212 S257 F261 K298 V300	I28-L259 HydrophobicContact CG2-CD1 4.3Å; L30-L259 HydrophobicContact CD1-CD2 4.45Å; L30-L259 HydrophobicContact CG-CD2 4.1Å; F36-L259 HydrophobicContact CD1-CD1 3.79Å; F36-L259 HydrophobicContact CE1-CD1 3.68Å; L210-L259 HydrophobicContact CD1-CD1 3.74Å; L210-L259 HydrophobicContact CG-CD1 4.31Å; L210-L259 VanDerWaalsContact O-CB 3.24Å; L210-L259 WeakPolarHBondContact O-CB 3.37Å; L210-L259 VanDerWaalsContact O-CG 3.29Å; L210-L259 WeakPolarHBondContact O-CG 3.48Å; L210-L259 PolarHBondContact O-N 3.39Å; G211-L259 CarbonylContact C-O 3.53Å; G211-L259 WeakPolarHBondContact CA-O 3.34Å; Y212-L259 PolarHBondContact N-O 2.94Å; S257-L259 PolarHBondContact O-N 3.39Å; L259-F261 HydrophobicContact CB-CD2 4.3Å; L259-F261 HydrophobicContact CB-CE2 3.93Å; L259-F261 HydrophobicContact CD1-CE2 4.33Å; L259-K298 CarbonylContact C-O 3.48Å; L259-K298 WeakPolarHBondContact CA-O 3.38Å; L259-K298 HydrophobicContact CD2-CB 4.37Å; L259-V300 HydrophobicContact CB-CG2 4.2Å; L259-V300 HydrophobicContact CD1-CG2 4Å
260	I	98.8	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118	171.5	-57.8	-66.7	0	0	0	107.8	Y212 L214 I248 I251 R252 K298 S299 V300	Y212-I260 HydrophobicContact CD2-CD1 3.95Å; L214-I260 HydrophobicContact CD1-CG2 3.7Å; L214-I260 HydrophobicContact CD2-CG2 3.99Å; L214-I260 HydrophobicContact CG-CG2 3.72Å; I248-I260 HydrophobicContact CD1-CB 4.25Å; I248-I260 HydrophobicContact CD1-CG1 4.22Å; I248-I260 HydrophobicContact CD1-CG2 3.77Å; I248-I260 HydrophobicContact CG1-CB 4.49Å; I248-I260 HydrophobicContact CG1-CD1 4.38Å; I248-I260 HydrophobicContact CG1-CG1 4.07Å; I248-I260 HydrophobicContact CG1-CG2 3.94Å; I251-I260 HydrophobicContact CD1-CD1 3.78Å; I251-I260 HydrophobicContact CG2-CD1 4.05Å; R252-I260 VanDerWaalsContact NH2-CG1 3.32Å; I260-K298 PolarHBondContact N-O 2.74Å; I260-S299 CarbonylContact O-C 3.55Å; I260-S299 WeakPolarHBondContact O-CA 3.18Å; I260-V300 PolarHBondContact O-N 2.77Å
261	F	98.9	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.6	170.4	-75.6	-113.7	0	0	0	106.8	F36 I119 L210 Y212 D213 L214 L259 V300 F351 T353	F36-F261 HydrophobicContact CE1-CZ 4.4Å; I119-F261 HydrophobicContact CD1-CD1 4.31Å; I119-F261 HydrophobicContact CD1-CE1 3.59Å; I119-F261 HydrophobicContact CD1-CZ 3.74Å; I119-F261 HydrophobicContact CG1-CE1 4.19Å; I119-F261 HydrophobicContact CG1-CE2 4.29Å; I119-F261 HydrophobicContact CG1-CZ 3.92Å; I119-F261 HydrophobicContact CG2-CD1 4.32Å; I119-F261 HydrophobicContact CG2-CD2 4.3Å; I119-F261 HydrophobicContact CG2-CE1 4.5Å; I119-F261 HydrophobicContact CG2-CG 4.22Å; L210-F261 HydrophobicContact CD2-CZ 4.12Å; L210-F261 HydrophobicContact CG-CE2 4.23Å; L210-F261 HydrophobicContact CG-CZ 4.16Å; Y212-F261 PolarHBondContact O-N 3.45Å; D213-F261 HydrophobicContact CB-CB 3.83Å; L214-F261 WeakPolarHBondContact CG-O 3.37Å; L214-F261 PolarHBondContact N-O 3.13Å; L259-F261 HydrophobicContact CB-CD2 4.3Å; L259-F261 HydrophobicContact CB-CE2 3.93Å; L259-F261 HydrophobicContact CD1-CE2 4.33Å; F261-V300 WeakPolarHBondContact CA-O 3.43Å; F261-V300 HydrophobicContact CD1-CB 4.01Å; F261-V300 HydrophobicContact CD1-CG1 3.8Å; F261-V300 HydrophobicContact CD2-CB 4.19Å; F261-V300 HydrophobicContact CD2-CG2 4.35Å; F261-V300 HydrophobicContact CE1-CB 4.08Å; F261-V300 HydrophobicContact CE1-CG1 3.63Å; F261-V300 HydrophobicContact CE1-CG2 4.47Å; F261-V300 HydrophobicContact CE2-CB 4.23Å; F261-V300 HydrophobicContact CE2-CG2 4.02Å; F261-V300 HydrophobicContact CG-CB 4.07Å; F261-V300 HydrophobicContact CG-CG1 4.37Å; F261-V300 HydrophobicContact CZ-CB 4.18Å; F261-V300 HydrophobicContact CZ-CG1 4.04Å; F261-V300 HydrophobicContact CZ-CG2 4.08Å; F261-F351 HydrophobicContact CD1-CB 4.29Å; F261-F351 HydrophobicContact CE1-CB 3.65Å; F261-F351 HydrophobicContact CE1-CD1 4.38Å; F261-F351 AromaticContact CE1-CD2 3.72Å; F261-F351 HydrophobicContact CE1-CD2 3.72Å; F261-F351 HydrophobicContact CE1-CE2 4.44Å; F261-F351 AromaticContact CE1-CG 3.69Å; F261-F351 HydrophobicContact CE1-CG 3.69Å; F261-F351 HydrophobicContact CZ-CD2 4.06Å; F261-F351 HydrophobicContact CZ-CG 4.47Å; F261-T353 HydrophobicContact CD1-CG2 4.02Å; F261-T353 HydrophobicContact CE1-CG2 4.31Å
262	Y	98.7	Very high	96	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.5	-178.2	64.7	-80.9	0	0	0	109.5	F283 V286 P287 V300 L301 S302	Y262-F283 AromaticContact CD2-CD2 3.9Å; Y262-F283 HydrophobicContact CD2-CD2 3.9Å; Y262-F283 AromaticContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CZ 4.32Å; Y262-F283 AromaticContact CE2-CD2 3.67Å; Y262-F283 HydrophobicContact CE2-CD2 3.67Å; Y262-F283 AromaticContact CE2-CE2 3.99Å; Y262-F283 HydrophobicContact CE2-CE2 3.99Å; Y262-F283 HydrophobicContact CE2-CG 4.31Å; Y262-V286 HydrophobicContact CE1-CB 4.39Å; Y262-V286 HydrophobicContact CE1-CG1 4.27Å; Y262-P287 HydrophobicContact CD1-CG 4.43Å; Y262-P287 HydrophobicContact CD2-CG 3.8Å; Y262-P287 HydrophobicContact CE2-CG 4.35Å; Y262-P287 HydrophobicContact CG-CG 3.86Å; Y262-V300 WeakPolarHBondContact CD1-O 3.5Å; Y262-V300 VanDerWaalsContact CE1-O 3.27Å; Y262-V300 WeakPolarHBondContact CE1-O 3.4Å; Y262-V300 PolarHBondContact N-O 3.48Å; Y262-L301 HydrophobicContact CD2-CD1 4.29Å; Y262-L301 HydrophobicContact CE2-CB 4.44Å; Y262-L301 HydrophobicContact CE2-CD1 3.84Å; Y262-S302 PolarHBondContact O-N 2.65Å; Y262-S302 VanDerWaalsContact O-N 3.09Å
263	E	98.7	Very high	95.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.182	C	C	.	.			trans	-92.8	139.9	179.5	-67.3	-173.8	-145.5	0	0	111.5	R81 E217 P218 Y244 S302 H304	R81-E263 IonicContact NH2-OE1 2.65Å; R81-E263 PolarHBondContact NH2-OE1 2.82Å; E217-E263 WeakPolarHBondContact CA-OE2 3.46Å; E217-E263 PolarHBondContact N-OE2 3.33Å; P218-E263 HydrophobicContact CG-CB 4.16Å; Y244-E263 VanDerWaalsContact CE2-O 3.25Å; Y244-E263 WeakPolarHBondContact CE2-O 3.4Å; Y244-E263 PolarHBondContact OH-O 3.29Å; E263-S302 WeakPolarHBondContact CA-O 3.44Å; E263-S302 WeakPolarHBondContact CG-OG 3.4Å; E263-H304 IonicContact OE1-CE1 2.69Å; E263-H304 IonicContact OE1-NE2 3.37Å; E263-H304 PolarHBondContact OE1-NE2 3.37Å; E263-H304 IonicContact OE2-CE1 2.71Å; E263-H304 PolarHBondContact OE2-CE1 3.14Å; E263-H304 IonicContact OE2-ND1 3.24Å; E263-H304 IonicContact OE2-NE2 3.47Å
264	P	97.6	Very high	94.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.019	17%	0.169	C	C	.	.			trans	-73.1	175.5	161.5	35	-32.7	0	0	0	109.7	P218 T266 I269 T281 F283 L301 S302	P218-P264 WeakPolarHBondContact CD-O 3.32Å; P218-P264 WeakPolarHBondContact CG-O 3.48Å; P264-T266 PolarHBondContact O-N 3.25Å; P264-I269 HydrophobicContact CG-CG2 3.88Å; P264-T281 HydrophobicContact CB-CG2 3.9Å; P264-T281 HydrophobicContact CG-CG2 4.07Å; P264-F283 HydrophobicContact CB-CE2 3.94Å; P264-L301 HydrophobicContact CG-CD1 4.43Å; P264-S302 VanDerWaalsContact CD-O 3.31Å; P264-S302 WeakPolarHBondContact CD-O 3.5Å
265	V	96.7	Very high	93.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.19	C	C	.	.			trans	-53.8	129.9	160.5	179.2	0	0	0	0	107.9	P220 P232 A235 L240 Y267 G268	P220-V265 HydrophobicContact CB-CG1 4.26Å; P220-V265 HydrophobicContact CB-CG2 4.44Å; P232-V265 HydrophobicContact CB-CB 4.13Å; P232-V265 HydrophobicContact CB-CG1 4.45Å; A235-V265 HydrophobicContact CB-CG2 3.65Å; L240-V265 HydrophobicContact CD1-CG2 3.88Å; V265-Y267 VanDerWaalsContact C-N 3.27Å; V265-Y267 HydrophobicContact CG1-CD1 3.75Å; V265-Y267 HydrophobicContact CG1-CE1 3.27Å; V265-Y267 HydrophobicContact CG1-CE2 4.31Å; V265-Y267 HydrophobicContact CG1-CG 4.43Å; V265-Y267 PolarHBondContact O-N 3.49Å; V265-G268 WeakPolarHBondContact O-CA 3.3Å; V265-G268 PolarHBondContact O-N 3.08Å
266	T	92.4	Very high	92.8	Very high	33 Å²	33	39 Å²	39	20%	0.202	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-48.4	-45.1	-165.1	-46.1	0	0	0	0	113.4	E217 P264 G268 I269 H304	E217-T266 WeakPolarHBondContact CA-OG1 3.1Å; E217-T266 WeakPolarHBondContact CB-OG1 3.4Å; E217-T266 HydrophobicContact CG-CG2 4.26Å; E217-T266 WeakPolarHBondContact OE1-CG2 3.08Å; P264-T266 PolarHBondContact O-N 3.25Å; T266-G268 PolarHBondContact O-N 3.46Å; T266-I269 VanDerWaalsContact O-CG1 3.22Å; T266-I269 WeakPolarHBondContact O-CG1 3.37Å; T266-H304 HydrophobicContact CG2-CB 4.43Å
267	Y	93.2	Very high	92.2	Very high	91 Å²	91	33.5 Å²	33.5	36%	0.357	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-79.2	-1.9	-178.6	60.2	-93.7	0	0	0	114.6	P220 G230 P232 V265 I269 F270	P220-Y267 WeakPolarHBondContact CB-OH 3.12Å; P220-Y267 HydrophobicContact CG-CE1 4.44Å; G230-Y267 PolarHBondContact O-OH 2.98Å; P232-Y267 HydrophobicContact CB-CD2 3.94Å; P232-Y267 HydrophobicContact CB-CE2 3.64Å; P232-Y267 HydrophobicContact CG-CD2 3.94Å; P232-Y267 HydrophobicContact CG-CE2 3.77Å; V265-Y267 VanDerWaalsContact C-N 3.27Å; V265-Y267 HydrophobicContact CG1-CD1 3.75Å; V265-Y267 HydrophobicContact CG1-CE1 3.27Å; V265-Y267 HydrophobicContact CG1-CE2 4.31Å; V265-Y267 HydrophobicContact CG1-CG 4.43Å; V265-Y267 PolarHBondContact O-N 3.49Å; Y267-I269 VanDerWaalsContact C-N 3.29Å; Y267-I269 PolarHBondContact O-N 2.8Å; Y267-F270 PolarHBondContact O-N 2.89Å
268	G	94.3	Very high	91.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-63.5	-32.9	-179.2	0	0	0	0	0	113.8	V265 T266 F270 T271 G280	V265-G268 WeakPolarHBondContact O-CA 3.3Å; V265-G268 PolarHBondContact O-N 3.08Å; T266-G268 PolarHBondContact O-N 3.46Å; G268-F270 VanDerWaalsContact C-N 3.28Å; G268-F270 PolarHBondContact O-N 3.36Å; G268-T271 PolarHBondContact O-N 3.16Å; G268-T271 VanDerWaalsContact O-O 3.14Å; G268-T271 PolarHBondContact O-OG1 3.07Å; G268-G280 CarbonylContact O-C 3.58Å; G268-G280 VanDerWaalsContact O-CA 3.25Å; G268-G280 WeakPolarHBondContact O-CA 3.3Å
269	I	94.4	Very high	91.6	Very high	3 Å²	3	39 Å²	39	2%	0.015	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-68.3	-21.4	178.4	52	113.5	0	0	0	114.3	P264 T266 Y267 T271 T281 H304 V335 N338 V339	P264-I269 HydrophobicContact CG-CG2 3.88Å; T266-I269 VanDerWaalsContact O-CG1 3.22Å; T266-I269 WeakPolarHBondContact O-CG1 3.37Å; Y267-I269 VanDerWaalsContact C-N 3.29Å; Y267-I269 PolarHBondContact O-N 2.8Å; I269-T271 VanDerWaalsContact C-N 3.27Å; I269-T271 PolarHBondContact O-N 2.9Å; I269-T281 HydrophobicContact CG2-CG2 4.49Å; I269-H304 WeakPolarHBondContact CD1-O 3.25Å; I269-V335 HydrophobicContact CB-CG1 4.36Å; I269-V335 HydrophobicContact CD1-CB 4.11Å; I269-V335 HydrophobicContact CD1-CG1 3.31Å; I269-V335 HydrophobicContact CD1-CG2 3.67Å; I269-V335 HydrophobicContact CG1-CG1 4.42Å; I269-N338 VanDerWaalsContact O-CB 3.31Å; I269-N338 WeakPolarHBondContact O-CB 3.49Å; I269-N338 PolarHBondContact O-ND2 3.47Å; I269-V339 HydrophobicContact CB-CG2 4.37Å; I269-V339 HydrophobicContact CG2-CG2 3.99Å
270	F	93.6	Very high	91.4	Very high	49 Å²	49	39 Å²	39	22%	0.215	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-78	-11.9	177.4	-63	-82.9	0	0	0	113.5	Y267 G268 Y305 L331 V335	Y267-F270 PolarHBondContact O-N 2.89Å; G268-F270 VanDerWaalsContact C-N 3.28Å; G268-F270 PolarHBondContact O-N 3.36Å; F270-Y305 HydrophobicContact CE1-CD2 4.15Å; F270-Y305 HydrophobicContact CE1-CE2 4.18Å; F270-Y305 HydrophobicContact CZ-CD2 4.46Å; F270-L331 HydrophobicContact CD1-CD1 3.43Å; F270-L331 VanDerWaalsContact CD1-CD1 3.43Å; F270-L331 HydrophobicContact CD1-CD2 4.2Å; F270-L331 HydrophobicContact CD1-CG 3.78Å; F270-L331 HydrophobicContact CE1-CD1 3.87Å; F270-L331 HydrophobicContact CE1-CD2 3.74Å; F270-L331 HydrophobicContact CE1-CG 3.73Å; F270-V335 HydrophobicContact CD1-CG2 3.27Å; F270-V335 HydrophobicContact CE1-CG2 3.48Å; F270-V335 VanDerWaalsContact CE1-CG2 3.48Å; F270-V335 HydrophobicContact CG-CG2 3.98Å; F270-V335 HydrophobicContact CZ-CG2 4.31Å
271	T	91.4	Very high	91.3	Very high	47 Å²	47	39.2 Å²	39.2	29%	0.288	21%	0.207	S	C	.	.	S	Bend	trans	-115.9	140	180	63.6	0	0	0	0	110.4	G268 I269 G280 N338	G268-T271 PolarHBondContact O-N 3.16Å; G268-T271 VanDerWaalsContact O-O 3.14Å; G268-T271 PolarHBondContact O-OG1 3.07Å; I269-T271 VanDerWaalsContact C-N 3.27Å; I269-T271 PolarHBondContact O-N 2.9Å; T271-G280 VanDerWaalsContact O-CA 3.29Å; T271-G280 WeakPolarHBondContact O-CA 3.49Å; T271-G280 PolarHBondContact OG1-N 3.21Å; T271-N338 PolarHBondContact O-ND2 3.28Å
272	P	86.2	Confident	91.1	Very high	75 Å²	75	39.5 Å²	39.5	49%	0.487	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-66.3	152.3	-179.7	28.5	-34.9	0	0	0	110.6	S274 S279 G280 N338	P272-S274 PolarHBondContact O-N 3Å; P272-S279 CarbonylContact O-C 3.59Å; P272-S279 WeakPolarHBondContact O-CB 3.39Å; P272-S279 PolarHBondContact O-OG 3.41Å; P272-G280 PolarHBondContact O-N 2.75Å; P272-N338 WeakPolarHBondContact CA-OD1 3.4Å
273	L	81.1	Confident	90.9	Very high	62 Å²	62	39.6 Å²	39.6	33%	0.325	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-56.1	124.2	167.2	-73.6	174.5	0	0	0	109.6	A342	L273-A342 HydrophobicContact CD1-CB 4.1Å
274	S	80.2	Confident	90.7	Very high	35 Å²	35	46.3 Å²	46.3	25%	0.245	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-102.6	149.5	174.7	49	0	0	0	0	111.7	P272 S276 G277 W278 S279	P272-S274 PolarHBondContact O-N 3Å; S274-S276 PolarHBondContact O-N 3.12Å; S274-S276 PolarHBondContact OG-OG 3.17Å; S274-G277 WeakPolarHBondContact O-CA 3.49Å; S274-G277 PolarHBondContact O-N 3.13Å; S274-G277 PolarHBondContact OG-N 2.94Å; S274-W278 PolarHBondContact OG-N 2.9Å; S274-S279 WeakPolarHBondContact CB-OG 3.2Å; S274-S279 PolarHBondContact N-OG 3.04Å; S274-S279 PolarHBondContact OG-N 3.26Å; S274-S279 PolarHBondContact OG-OG 3.25Å
275	M	78.4	Confident	90.6	Very high	183 Å²	183	49.3 Å²	49.3	90%	0.901	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.8	171.3	-75.6	176.1	42.3	0	0	112.6	G277 R284	M275-G277 PolarHBondContact O-N 3.29Å; M275-R284 PolarHBondContact O-NH2 2.86Å
276	S	84.4	Confident	90.6	Very high	61 Å²	61	49.2 Å²	49.2	43%	0.427	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.5	174.2	59.5	0	0	0	0	112.3	S274 W278	S274-S276 PolarHBondContact O-N 3.12Å; S274-S276 PolarHBondContact OG-OG 3.17Å; S276-W278 VanDerWaalsContact C-N 3.31Å
277	G	84.7	Confident	90.9	Very high	8 Å²	8	47.6 Å²	47.6	8%	0.082	24%	0.236	C	C	.	.	S	Bend	trans	77.2	15.3	-177.5	0	0	0	0	0	113.6	G233 Y234 S274 M275	G233-G277 CarbonylContact C-O 3.56Å; G233-G277 WeakPolarHBondContact CA-O 3.46Å; Y234-G277 PolarHBondContact N-O 3.49Å; S274-G277 WeakPolarHBondContact O-CA 3.49Å; S274-G277 PolarHBondContact O-N 3.13Å; S274-G277 PolarHBondContact OG-N 2.94Å; M275-G277 PolarHBondContact O-N 3.29Å
278	W	88.6	Confident	91.1	Very high	135 Å²	135	43.6 Å²	43.6	51%	0.511	22%	0.222	S	C	.	.	S	Bend	trans	-85.1	-35.1	177.9	-57.6	-20.6	0	0	0	111.6	F231 G233 Y234 S274 S276	F231-W278 CarbonylContact C-O 3.49Å; F231-W278 HydrophobicContact CB-CB 4.2Å; F231-W278 VanDerWaalsContact CB-O 3.23Å; F231-W278 WeakPolarHBondContact CB-O 3.31Å; F231-W278 HydrophobicContact CG-CB 4.35Å; G233-W278 VanDerWaalsContact CA-O 3.26Å; G233-W278 WeakPolarHBondContact CA-O 3.47Å; G233-W278 PolarHBondContact N-O 3.25Å; Y234-W278 PolarHBondContact N-O 3.2Å; S274-W278 PolarHBondContact OG-N 2.9Å; S276-W278 VanDerWaalsContact C-N 3.31Å
279	S	92.4	Very high	91.2	Very high	28 Å²	28	44.7 Å²	44.7	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	-102.7	168.2	178.4	66	0	0	0	0	113	P272 S274	P272-S279 CarbonylContact O-C 3.59Å; P272-S279 WeakPolarHBondContact O-CB 3.39Å; P272-S279 PolarHBondContact O-OG 3.41Å; S274-S279 WeakPolarHBondContact CB-OG 3.2Å; S274-S279 PolarHBondContact N-OG 3.04Å; S274-S279 PolarHBondContact OG-N 3.26Å; S274-S279 PolarHBondContact OG-OG 3.25Å
280	G	95.1	Very high	91.2	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	79.3	-160	-176.4	0	0	0	0	0	112.9	P232 G233 G268 T271 P272 G282	P232-G280 CarbonylContact C-O 3.5Å; G233-G280 WeakPolarHBondContact CA-O 3.35Å; G233-G280 PolarHBondContact N-O 3.39Å; G233-G280 VanDerWaalsContact N-O 3.14Å; G268-G280 CarbonylContact O-C 3.58Å; G268-G280 VanDerWaalsContact O-CA 3.25Å; G268-G280 WeakPolarHBondContact O-CA 3.3Å; T271-G280 VanDerWaalsContact O-CA 3.29Å; T271-G280 WeakPolarHBondContact O-CA 3.49Å; T271-G280 PolarHBondContact OG1-N 3.21Å; P272-G280 PolarHBondContact O-N 2.75Å; G280-G282 VanDerWaalsContact C-N 3.3Å; G280-G282 PolarHBondContact O-N 2.86Å
281	T	95.8	Very high	91.3	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.025	27%	0.272	C	S	.	.			trans	-72	-21.6	-178.1	64.2	0	0	0	0	113.7	G236 P264 I269 F283 L301 A342	G236-T281 WeakPolarHBondContact CA-O 3.31Å; P264-T281 HydrophobicContact CB-CG2 3.9Å; P264-T281 HydrophobicContact CG-CG2 4.07Å; I269-T281 HydrophobicContact CG2-CG2 4.49Å; T281-F283 PolarHBondContact O-N 3.47Å; T281-F283 PolarHBondContact OG1-N 3.44Å; T281-L301 HydrophobicContact CG2-CD1 4.41Å; T281-L301 HydrophobicContact CG2-CD2 4.38Å; T281-A342 HydrophobicContact CG2-CB 4.13Å
282	G	94.8	Very high	91.5	Very high	6 Å²	6	54.8 Å²	54.8	6%	0.062	27%	0.273	C	S	.	.			trans	79.4	-10.4	-174.3	0	0	0	0	0	114.7	G233 G280	G233-G282 WeakPolarHBondContact O-CA 3.26Å; G280-G282 VanDerWaalsContact C-N 3.3Å; G280-G282 PolarHBondContact O-N 2.86Å
283	F	95.4	Very high	91.9	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.009	29%	0.292	C	S	.	.			trans	-82.4	125.7	-179.6	-53.9	-47.4	0	0	0	111.1	G236 L240 L241 Y244 Y262 P264 T281 T346	G236-F283 WeakPolarHBondContact O-CE1 3.34Å; L240-F283 HydrophobicContact CB-CE1 4.12Å; L240-F283 HydrophobicContact CB-CZ 4.17Å; L240-F283 HydrophobicContact CD1-CZ 4.36Å; L241-F283 HydrophobicContact CB-CD1 3.97Å; L241-F283 HydrophobicContact CB-CE1 4Å; L241-F283 HydrophobicContact CD1-CD1 4.07Å; L241-F283 HydrophobicContact CG-CD1 4.45Å; Y244-F283 HydrophobicContact CD2-CE1 4.35Å; Y244-F283 HydrophobicContact CD2-CZ 4.15Å; Y244-F283 HydrophobicContact CE2-CE1 4.44Å; Y244-F283 AromaticContact CE2-CZ 3.85Å; Y244-F283 HydrophobicContact CE2-CZ 3.85Å; Y262-F283 AromaticContact CD2-CD2 3.9Å; Y262-F283 HydrophobicContact CD2-CD2 3.9Å; Y262-F283 AromaticContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CZ 4.32Å; Y262-F283 AromaticContact CE2-CD2 3.67Å; Y262-F283 HydrophobicContact CE2-CD2 3.67Å; Y262-F283 AromaticContact CE2-CE2 3.99Å; Y262-F283 HydrophobicContact CE2-CE2 3.99Å; Y262-F283 HydrophobicContact CE2-CG 4.31Å; P264-F283 HydrophobicContact CB-CE2 3.94Å; T281-F283 PolarHBondContact O-N 3.47Å; T281-F283 PolarHBondContact OG1-N 3.44Å; F283-T346 HydrophobicContact CB-CG2 4.01Å; F283-T346 WeakPolarHBondContact O-CG2 3.38Å
284	R	93.5	Very high	92.6	Very high	144 Å²	144	60.3 Å²	60.3	54%	0.543	29%	0.293	S	S	.	.	S	Bend	trans	-103.7	-3.3	173.2	-65.9	-170.3	175.4	-153.8	-2.7	113.5	M275	M275-R284 PolarHBondContact O-NH2 2.86Å
285	R	95.8	Very high	93.4	Very high	65 Å²	65	59 Å²	59	25%	0.245	28%	0.284	C	S	.	.	S	Bend	trans	-157	161.2	174.8	57.7	175.5	176.2	78.3	0.4	107.2	D245 A289	D245-R285 IonicContact OD1-CZ 3.85Å; D245-R285 IonicContact OD1-NH1 3.54Å; D245-R285 PolarHBondContact OD1-NH1 3Å; D245-R285 IonicContact OD1-NH2 3.7Å; D245-R285 PolarHBondContact OD1-NH2 2.79Å; D245-R285 IonicContact OD2-CZ 2.59Å; D245-R285 IonicContact OD2-NH1 3.46Å; D245-R285 PolarHBondContact OD2-NH1 2.81Å; D245-R285 IonicContact OD2-NH2 2.86Å; D245-R285 PolarHBondContact OD2-NH2 3.45Å; R285-A289 HydrophobicContact CB-CB 4.23Å
286	V	97.9	Very high	94.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.			trans	-62.5	146.7	165.9	-55.3	0	0	0	0	110	Y262 A289 A295 P296 G347	Y262-V286 HydrophobicContact CE1-CB 4.39Å; Y262-V286 HydrophobicContact CE1-CG1 4.27Å; V286-A289 HydrophobicContact CG2-CB 3.76Å; V286-A289 VanDerWaalsContact O-CB 3.32Å; V286-A289 WeakPolarHBondContact O-CB 3.34Å; V286-A289 PolarHBondContact O-N 2.96Å; V286-A295 HydrophobicContact CG2-CB 3.72Å; V286-P296 HydrophobicContact CG2-CB 4.47Å; V286-P296 HydrophobicContact CG2-CG 3.9Å; V286-G347 WeakPolarHBondContact CG1-O 3.48Å
287	P	97.9	Very high	94.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	143.8	170.2	-23.7	34.5	0	0	0	111.6	L241 Y244 D245 I248 Y262 A289	L241-P287 HydrophobicContact CD1-CB 4.14Å; L241-P287 HydrophobicContact CD1-CG 3.92Å; Y244-P287 HydrophobicContact CD2-CG 3.86Å; Y244-P287 HydrophobicContact CG-CG 4.34Å; D245-P287 WeakPolarHBondContact OD1-CA 3.21Å; I248-P287 VanDerWaalsContact CD1-C 3.5Å; I248-P287 HydrophobicContact CD1-CB 3.51Å; I248-P287 WeakPolarHBondContact CD1-O 3.27Å; Y262-P287 HydrophobicContact CD1-CG 4.43Å; Y262-P287 HydrophobicContact CD2-CG 3.8Å; Y262-P287 HydrophobicContact CE2-CG 4.35Å; Y262-P287 HydrophobicContact CG-CG 3.86Å; P287-A289 VanDerWaalsContact C-N 3.3Å; P287-A289 PolarHBondContact O-N 3.3Å
288	G	97.5	Very high	95.4	Very high	6 Å²	6	52.9 Å²	52.9	6%	0.062	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-14.6	-174.8	0	0	0	0	0	115.9	D245 N290 R291 D292	D245-G288 PolarHBondContact OD1-N 2.93Å; G288-N290 PolarHBondContact O-N 3.02Å; G288-N290 VanDerWaalsContact O-N 3.13Å; G288-N290 PolarHBondContact O-OD1 2.84Å; G288-R291 PolarHBondContact O-N 2.64Å; G288-D292 PolarHBondContact O-N 2.9Å
289	A	97.1	Very high	95.9	Very high	23 Å²	23	46.6 Å²	46.6	19%	0.19	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.7	-177.5	0	0	0	0	0	115.1	R285 V286 P287 R291 D292 A295	R285-A289 HydrophobicContact CB-CB 4.23Å; V286-A289 HydrophobicContact CG2-CB 3.76Å; V286-A289 VanDerWaalsContact O-CB 3.32Å; V286-A289 WeakPolarHBondContact O-CB 3.34Å; V286-A289 PolarHBondContact O-N 2.96Å; P287-A289 VanDerWaalsContact C-N 3.3Å; P287-A289 PolarHBondContact O-N 3.3Å; A289-R291 PolarHBondContact O-N 3.5Å; A289-D292 WeakPolarHBondContact CA-O 3.23Å; A289-A295 HydrophobicContact CB-CB 4.06Å
290	N	94.2	Very high	96.2	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.3	169.4	57.7	-11.7	0	0	0	113.1	D245 G288	D245-N290 PolarHBondContact OD2-ND2 3.43Å; G288-N290 PolarHBondContact O-N 3.02Å; G288-N290 VanDerWaalsContact O-N 3.13Å; G288-N290 PolarHBondContact O-OD1 2.84Å
291	R	94.4	Very high	96.4	Very high	170 Å²	170	45.3 Å²	45.3	64%	0.642	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-31.5	-178.1	-64.5	-178.4	-178.5	-133.6	15.8	113.3	E249 G288 A289	E249-R291 VanDerWaalsContact CD-NH2 3.35Å; E249-R291 IonicContact OE1-CZ 3.22Å; E249-R291 IonicContact OE1-NH1 2.61Å; E249-R291 PolarHBondContact OE1-NH1 3.44Å; E249-R291 IonicContact OE1-NH2 2.7Å; E249-R291 PolarHBondContact OE1-NH2 2.75Å; E249-R291 IonicContact OE2-CZ 3.64Å; E249-R291 IonicContact OE2-NE 3.19Å; E249-R291 PolarHBondContact OE2-NE 3.32Å; E249-R291 IonicContact OE2-NH1 3.78Å; E249-R291 PolarHBondContact OE2-NH1 2.89Å; E249-R291 IonicContact OE2-NH2 3.71Å; E249-R291 PolarHBondContact OE2-NH2 3.35Å; G288-R291 PolarHBondContact O-N 2.64Å; A289-R291 PolarHBondContact O-N 3.5Å
292	D	95.9	Very high	96.5	Very high	56 Å²	56	45.1 Å²	45.1	30%	0.299	22%	0.218	S	C	.	.			trans	-124.5	105.9	178.6	-178.8	1.7	0	0	0	110.3	G288 A289 S294 A295 K298	G288-D292 PolarHBondContact O-N 2.9Å; A289-D292 WeakPolarHBondContact CA-O 3.23Å; D292-S294 PolarHBondContact O-N 3.15Å; D292-S294 VanDerWaalsContact O-N 3.13Å; D292-S294 WeakPolarHBondContact OD1-CA 3.25Å; D292-S294 WeakPolarHBondContact OD1-CB 3.43Å; D292-S294 PolarHBondContact OD1-N 3.01Å; D292-S294 PolarHBondContact OD1-OG 3.27Å; D292-S294 PolarHBondContact OD2-OG 3.02Å; D292-S294 VanDerWaalsContact OD2-OG 3.09Å; D292-A295 HydrophobicContact CB-CB 4.43Å; D292-A295 WeakPolarHBondContact O-CB 3.09Å; D292-A295 PolarHBondContact O-N 3.31Å; D292-K298 IonicContact OD2-NZ 3.25Å
293	K	94.7	Very high	96.7	Very high	203 Å²	203	44.9 Å²	44.9	88%	0.883	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.2	177.7	-67	-174.4	-179.9	-179.3	0	113.3	A295 P296	K293-A295 VanDerWaalsContact C-N 3.32Å; K293-P296 WeakPolarHBondContact O-CD 3.27Å
294	S	95.4	Very high	96.7	Very high	51 Å²	51	45 Å²	45	36%	0.357	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.8	174	76.8	0	0	0	0	113.4	D292 P296 S297	D292-S294 PolarHBondContact O-N 3.15Å; D292-S294 VanDerWaalsContact O-N 3.13Å; D292-S294 WeakPolarHBondContact OD1-CA 3.25Å; D292-S294 WeakPolarHBondContact OD1-CB 3.43Å; D292-S294 PolarHBondContact OD1-N 3.01Å; D292-S294 PolarHBondContact OD1-OG 3.27Å; D292-S294 PolarHBondContact OD2-OG 3.02Å; D292-S294 VanDerWaalsContact OD2-OG 3.09Å; S294-P296 VanDerWaalsContact C-N 3.28Å; S294-P296 VanDerWaalsContact O-N 3.14Å; S294-S297 PolarHBondContact O-N 3.37Å; S294-S297 PolarHBondContact O-OG 3.31Å; S294-S297 VanDerWaalsContact O-OG 3.06Å
295	A	97.3	Very high	96.8	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-49.1	-40.2	-179.6	0	0	0	0	0	114	V286 A289 D292 K293 S297 K298 S299	V286-A295 HydrophobicContact CG2-CB 3.72Å; A289-A295 HydrophobicContact CB-CB 4.06Å; D292-A295 HydrophobicContact CB-CB 4.43Å; D292-A295 WeakPolarHBondContact O-CB 3.09Å; D292-A295 PolarHBondContact O-N 3.31Å; K293-A295 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.95Å; A295-S297 VanDerWaalsContact O-N 3.12Å; A295-K298 CarbonylContact O-C 3.57Å; A295-K298 PolarHBondContact O-N 3.05Å; A295-S299 WeakPolarHBondContact O-CB 3.43Å; A295-S299 PolarHBondContact O-N 3.36Å; A295-S299 PolarHBondContact O-OG 3.02Å; A295-S299 VanDerWaalsContact O-OG 3.1Å
296	P	96.9	Very high	96.6	Very high	39 Å²	39	37.7 Å²	37.7	25%	0.253	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-53.6	-33.5	176	-29.4	37	0	0	0	114.3	L30 V286 K293 S294 K298 G348	L30-P296 WeakPolarHBondContact CD1-O 3.35Å; V286-P296 HydrophobicContact CG2-CB 4.47Å; V286-P296 HydrophobicContact CG2-CG 3.9Å; K293-P296 WeakPolarHBondContact O-CD 3.27Å; S294-P296 VanDerWaalsContact C-N 3.28Å; S294-P296 VanDerWaalsContact O-N 3.14Å; P296-K298 PolarHBondContact O-N 2.94Å; P296-G348 WeakPolarHBondContact O-CA 3.41Å
297	S	96.6	Very high	96.3	Very high	45 Å²	45	38 Å²	38	32%	0.315	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-73.3	1.9	179.3	82.7	0	0	0	0	113.8	L30 S294 A295	L30-S297 PolarHBondContact N-O 3.02Å; L30-S297 VanDerWaalsContact N-O 3.16Å; S294-S297 PolarHBondContact O-N 3.37Å; S294-S297 PolarHBondContact O-OG 3.31Å; S294-S297 VanDerWaalsContact O-OG 3.06Å; A295-S297 PolarHBondContact O-N 2.95Å; A295-S297 VanDerWaalsContact O-N 3.12Å
298	K	97.2	Very high	95.7	Very high	40 Å²	40	46 Å²	46	17%	0.174	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-142.1	19.4	-175.1	-48.5	173.2	-159.9	163.4	0	112.8	K256 L259 I260 D292 A295 P296	K256-K298 WeakPolarHBondContact O-CD 3.23Å; K256-K298 WeakPolarHBondContact O-CE 3.48Å; K256-K298 PolarHBondContact O-NZ 3.26Å; L259-K298 CarbonylContact C-O 3.48Å; L259-K298 WeakPolarHBondContact CA-O 3.38Å; L259-K298 HydrophobicContact CD2-CB 4.37Å; I260-K298 PolarHBondContact N-O 2.74Å; D292-K298 IonicContact OD2-NZ 3.25Å; A295-K298 CarbonylContact O-C 3.57Å; A295-K298 PolarHBondContact O-N 3.05Å; P296-K298 PolarHBondContact O-N 2.94Å
299	S	98.5	Very high	95.2	Very high	3 Å²	3	48 Å²	48	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.6	-175.9	-70.9	0	0	0	0	110	L30 I260 A295 G348 G349	L30-S299 WeakPolarHBondContact CD1-O 3.33Å; I260-S299 CarbonylContact O-C 3.55Å; I260-S299 WeakPolarHBondContact O-CA 3.18Å; A295-S299 WeakPolarHBondContact O-CB 3.43Å; A295-S299 PolarHBondContact O-N 3.36Å; A295-S299 PolarHBondContact O-OG 3.02Å; A295-S299 VanDerWaalsContact O-OG 3.1Å; S299-G348 CarbonylContact O-C 3.5Å; S299-G348 VanDerWaalsContact O-CA 3.25Å; S299-G348 WeakPolarHBondContact O-CA 3.39Å; S299-G349 PolarHBondContact O-N 3.27Å
300	V	98.8	Very high	94.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	-176	-177	0	0	0	0	108	L30 F36 L259 I260 F261 Y262 S302 G349 F351	L30-V300 HydrophobicContact CD1-CG2 4.05Å; L30-V300 HydrophobicContact CD2-CG2 4.39Å; F36-V300 HydrophobicContact CE1-CG1 4.45Å; F36-V300 HydrophobicContact CE1-CG2 3.75Å; F36-V300 HydrophobicContact CZ-CG1 3.95Å; F36-V300 HydrophobicContact CZ-CG2 4.05Å; L259-V300 HydrophobicContact CB-CG2 4.2Å; L259-V300 HydrophobicContact CD1-CG2 4Å; I260-V300 PolarHBondContact O-N 2.77Å; F261-V300 WeakPolarHBondContact CA-O 3.43Å; F261-V300 HydrophobicContact CD1-CB 4.01Å; F261-V300 HydrophobicContact CD1-CG1 3.8Å; F261-V300 HydrophobicContact CD2-CB 4.19Å; F261-V300 HydrophobicContact CD2-CG2 4.35Å; F261-V300 HydrophobicContact CE1-CB 4.08Å; F261-V300 HydrophobicContact CE1-CG1 3.63Å; F261-V300 HydrophobicContact CE1-CG2 4.47Å; F261-V300 HydrophobicContact CE2-CB 4.23Å; F261-V300 HydrophobicContact CE2-CG2 4.02Å; F261-V300 HydrophobicContact CG-CB 4.07Å; F261-V300 HydrophobicContact CG-CG1 4.37Å; F261-V300 HydrophobicContact CZ-CB 4.18Å; F261-V300 HydrophobicContact CZ-CG1 4.04Å; F261-V300 HydrophobicContact CZ-CG2 4.08Å; Y262-V300 WeakPolarHBondContact CD1-O 3.5Å; Y262-V300 VanDerWaalsContact CE1-O 3.27Å; Y262-V300 WeakPolarHBondContact CE1-O 3.4Å; Y262-V300 PolarHBondContact N-O 3.48Å; V300-S302 PolarHBondContact O-N 3.46Å; V300-G349 WeakPolarHBondContact CA-O 3.35Å; V300-F351 HydrophobicContact CG1-CB 3.63Å
301	L	98.6	Very high	93.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	105.1	168.6	178.9	61.1	0	0	0	107.6	Y262 P264 T281 V339 A342 T343 G349 R350 F351	Y262-L301 HydrophobicContact CD2-CD1 4.29Å; Y262-L301 HydrophobicContact CE2-CB 4.44Å; Y262-L301 HydrophobicContact CE2-CD1 3.84Å; P264-L301 HydrophobicContact CG-CD1 4.43Å; T281-L301 HydrophobicContact CG2-CD1 4.41Å; T281-L301 HydrophobicContact CG2-CD2 4.38Å; L301-V339 HydrophobicContact CD2-CG1 4.03Å; L301-A342 HydrophobicContact CD2-CB 3.87Å; L301-T343 HydrophobicContact CB-CG2 3.86Å; L301-T343 HydrophobicContact CD2-CG2 3.98Å; L301-G349 PolarHBondContact N-O 2.97Å; L301-R350 WeakPolarHBondContact O-CA 3.49Å; L301-F351 PolarHBondContact O-N 3.22Å
302	S	98.6	Very high	93.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.3	174.3	-174.3	0	0	0	0	107.4	D213 Y262 E263 P264 V300 T353	D213-S302 PolarHBondContact OD2-OG 3.17Å; Y262-S302 PolarHBondContact O-N 2.65Å; Y262-S302 VanDerWaalsContact O-N 3.09Å; E263-S302 WeakPolarHBondContact CA-O 3.44Å; E263-S302 WeakPolarHBondContact CG-OG 3.4Å; P264-S302 VanDerWaalsContact CD-O 3.31Å; P264-S302 WeakPolarHBondContact CD-O 3.5Å; V300-S302 PolarHBondContact O-N 3.46Å; S302-T353 WeakPolarHBondContact OG-CB 3.41Å; S302-T353 WeakPolarHBondContact OG-CG2 3.24Å; S302-T353 PolarHBondContact OG-OG1 3.18Å
303	Y	98.2	Very high	92.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.9	-179.7	73.5	-80.9	0	0	0	112.4	V335 I336 V339 R350 F351 L352 T353 E384	Y303-V335 HydrophobicContact CD2-CG1 4.24Å; Y303-V335 HydrophobicContact CE2-CG1 4.15Å; Y303-I336 HydrophobicContact CE2-CD1 4.06Å; Y303-I336 WeakPolarHBondContact OH-CD1 3.33Å; Y303-V339 HydrophobicContact CD1-CB 4.48Å; Y303-V339 HydrophobicContact CD1-CG1 3.74Å; Y303-V339 HydrophobicContact CD1-CG2 3.9Å; Y303-V339 HydrophobicContact CD2-CG2 3.72Å; Y303-V339 HydrophobicContact CE1-CB 4.36Å; Y303-V339 HydrophobicContact CE1-CG1 3.57Å; Y303-V339 HydrophobicContact CE1-CG2 4.11Å; Y303-V339 HydrophobicContact CE2-CG2 3.91Å; Y303-V339 HydrophobicContact CG-CG1 4.4Å; Y303-V339 HydrophobicContact CG-CG2 3.7Å; Y303-R350 HydrophobicContact CE1-CB 4.28Å; Y303-F351 WeakPolarHBondContact CD1-O 3.41Å; Y303-F351 VanDerWaalsContact CE1-C 3.5Å; Y303-F351 WeakPolarHBondContact CE1-O 3.45Å; Y303-F351 PolarHBondContact N-O 3.29Å; Y303-F351 VanDerWaalsContact N-O 3.11Å; Y303-L352 HydrophobicContact CD2-CD1 3.96Å; Y303-L352 HydrophobicContact CE1-CB 4.25Å; Y303-L352 HydrophobicContact CE2-CB 4.2Å; Y303-L352 HydrophobicContact CE2-CD1 3.61Å; Y303-L352 HydrophobicContact CE2-CG 4.45Å; Y303-L352 CarbonylContact O-C 3.57Å; Y303-L352 WeakPolarHBondContact O-CA 3.46Å; Y303-T353 PolarHBondContact N-OG1 3.38Å; Y303-T353 PolarHBondContact O-N 3.03Å; Y303-T353 PolarHBondContact O-OG1 3.2Å; Y303-E384 WeakPolarHBondContact CE1-OE1 3.3Å; Y303-E384 VanDerWaalsContact OH-CD 3.27Å; Y303-E384 VanDerWaalsContact OH-CG 3.3Å; Y303-E384 WeakPolarHBondContact OH-CG 3.23Å
304	H	96.6	Very high	92	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	150.3	179.7	-56.3	171.5	0	0	0	110.8	N216 E217 E263 T266 I269 Y306 T353 E354	N216-H304 PolarHBondContact OD1-CE1 3.23Å; E217-H304 WeakPolarHBondContact CG-ND1 3.48Å; E217-H304 IonicContact OE1-ND1 3.53Å; E217-H304 PolarHBondContact OE1-ND1 3.43Å; E217-H304 VanDerWaalsContact OE1-ND1 3.14Å; E263-H304 IonicContact OE1-CE1 2.69Å; E263-H304 IonicContact OE1-NE2 3.37Å; E263-H304 PolarHBondContact OE1-NE2 3.37Å; E263-H304 IonicContact OE2-CE1 2.71Å; E263-H304 PolarHBondContact OE2-CE1 3.14Å; E263-H304 IonicContact OE2-ND1 3.24Å; E263-H304 IonicContact OE2-NE2 3.47Å; T266-H304 HydrophobicContact CG2-CB 4.43Å; I269-H304 WeakPolarHBondContact CD1-O 3.25Å; H304-Y306 HydrophobicContact CB-CD2 4.49Å; H304-Y306 HydrophobicContact CB-CE2 4.3Å; H304-T353 PolarHBondContact CD2-OG1 2.81Å; H304-T353 PolarHBondContact NE2-OG1 3.06Å; H304-E354 CarbonylContact C-O 3.52Å; H304-E354 WeakPolarHBondContact CA-O 3.39Å; H304-E354 HydrophobicContact CB-CB 4.06Å; H304-E354 VanDerWaalsContact CD2-CB 3.48Å; H304-E354 WeakPolarHBondContact CD2-CB 3.17Å; H304-E354 PolarHBondContact CD2-N 3.3Å; H304-E354 VanDerWaalsContact CD2-N 3.34Å; H304-E354 IonicContact CE1-OE1 2.86Å; H304-E354 PolarHBondContact CE1-OE1 3.44Å; H304-E354 IonicContact CE1-OE2 2.76Å; H304-E354 IonicContact ND1-OE2 2.96Å; H304-E354 WeakPolarHBondContact NE2-CG 3.14Å; H304-E354 IonicContact NE2-OE1 3.81Å
305	Y	95.6	Very high	91.3	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.2	170	175.2	-94.4	0	0	0	110.6	F270 L331 L332 V335 E354 F355 E371 V375	F270-Y305 HydrophobicContact CE1-CD2 4.15Å; F270-Y305 HydrophobicContact CE1-CE2 4.18Å; F270-Y305 HydrophobicContact CZ-CD2 4.46Å; Y305-L331 HydrophobicContact CE2-CD2 4.06Å; Y305-L331 HydrophobicContact CE2-CG 4.1Å; Y305-L332 HydrophobicContact CD1-CD1 3.94Å; Y305-L332 HydrophobicContact CD2-CD1 4.09Å; Y305-L332 HydrophobicContact CE1-CB 4.2Å; Y305-L332 HydrophobicContact CE1-CD1 3.92Å; Y305-L332 HydrophobicContact CE1-CG 4.49Å; Y305-L332 HydrophobicContact CE2-CB 3.83Å; Y305-L332 HydrophobicContact CE2-CD1 4.07Å; Y305-L332 HydrophobicContact CG-CD1 4.03Å; Y305-V335 HydrophobicContact CD2-CB 4.13Å; Y305-V335 HydrophobicContact CD2-CG1 4.12Å; Y305-V335 HydrophobicContact CD2-CG2 3.98Å; Y305-V335 HydrophobicContact CE2-CG2 4.28Å; Y305-E354 PolarHBondContact N-O 3Å; Y305-F355 VanDerWaalsContact O-CA 3.3Å; Y305-F355 WeakPolarHBondContact O-CA 3.27Å; Y305-F355 WeakPolarHBondContact O-CB 3.28Å; Y305-E371 VanDerWaalsContact CE1-OE1 3.24Å; Y305-E371 WeakPolarHBondContact CE1-OE1 3.14Å; Y305-V375 HydrophobicContact CD1-CG2 3.61Å; Y305-V375 HydrophobicContact CE1-CG2 3.52Å
306	Y	91.3	Very high	90.7	Very high	53 Å²	53	52.2 Å²	52.2	21%	0.208	25%	0.248	C	C	.	.			trans	-134.4	127.7	167.5	-66.6	-81.5	0	0	0	108.4	H304 W308 E354 L357 W389	H304-Y306 HydrophobicContact CB-CD2 4.49Å; H304-Y306 HydrophobicContact CB-CE2 4.3Å; Y306-W308 VanDerWaalsContact C-N 3.31Å; Y306-W308 PolarHBondContact O-N 3.14Å; Y306-E354 HydrophobicContact CE2-CB 4.14Å; Y306-E354 PolarHBondContact OH-OE2 3.1Å; Y306-L357 HydrophobicContact CD1-CD1 4.36Å; Y306-L357 HydrophobicContact CE1-CD1 4.34Å; Y306-L357 HydrophobicContact CE1-CG 4.27Å; Y306-W389 WeakPolarHBondContact OH-CB 3.33Å
307	C	91.3	Very high	90.3	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	25%	0.249	C	C	.	.			trans	-72.6	90.5	168.7	-162.3	0	0	0	0	110.4	I309 L310 C327 L331 E371	C307-I309 PolarHBondContact O-N 2.8Å; C307-L310 HydrophobicContact CB-CD1 3.84Å; C307-L310 HydrophobicContact CB-CG 3.97Å; C307-L310 WeakPolarHBondContact O-CA 3.47Å; C307-L310 WeakPolarHBondContact O-CB 3.43Å; C307-L310 PolarHBondContact O-N 3.01Å; C307-C327 HydrophobicContact CB-CB 3.79Å; C307-C327 WeakPolarHBondContact CB-SG 3.43Å; C307-C327 WeakPolarHBondContact SG-CB 3.06Å; C307-C327 CovalentContact SG-SG 2.04Å; C307-C327 PolarHBondContact SG-SG 3.03Å; C307-L331 HydrophobicContact CB-CD2 4.27Å; C307-E371 VanDerWaalsContact CB-OE1 3.23Å; C307-E371 WeakPolarHBondContact CB-OE1 3.32Å
308	W	85.9	Confident	90	Very high	168 Å²	168	54.4 Å²	54.4	64%	0.636	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-47.9	-23.7	172.7	58.6	-48.6	0	0	0	115.6	Y306 L310 Q311 L331	Y306-W308 VanDerWaalsContact C-N 3.31Å; Y306-W308 PolarHBondContact O-N 3.14Å; W308-L310 VanDerWaalsContact C-N 3.25Å; W308-L310 PolarHBondContact O-N 3.43Å; W308-Q311 WeakPolarHBondContact O-CB 3.26Å; W308-Q311 PolarHBondContact O-N 2.79Å; W308-L331 VanDerWaalsContact CD1-CD2 3.48Å
309	I	86.3	Confident	89.7	Confident	47 Å²	47	53.1 Å²	53.1	24%	0.241	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-66.5	-29.9	173.7	-57.8	173.7	0	0	0	111.6	C307 W322 K323 L326	C307-I309 PolarHBondContact O-N 2.8Å; I309-W322 HydrophobicContact CG2-CH2 4.37Å; I309-W322 HydrophobicContact CG2-CZ3 4.25Å; I309-K323 HydrophobicContact CG2-CD 4.06Å; I309-K323 HydrophobicContact CG2-CG 3.99Å; I309-L326 HydrophobicContact CD1-CB 3.68Å; I309-L326 HydrophobicContact CD1-CD1 3.84Å; I309-L326 HydrophobicContact CD1-CG 4.38Å
310	L	86.4	Confident	89.4	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.089	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-87.4	-10.2	-178.3	-56.2	178	0	0	0	113.3	C307 W308 N312 D313 M319 K323 C327 V367 E371	C307-L310 HydrophobicContact CB-CD1 3.84Å; C307-L310 HydrophobicContact CB-CG 3.97Å; C307-L310 WeakPolarHBondContact O-CA 3.47Å; C307-L310 WeakPolarHBondContact O-CB 3.43Å; C307-L310 PolarHBondContact O-N 3.01Å; W308-L310 VanDerWaalsContact C-N 3.25Å; W308-L310 PolarHBondContact O-N 3.43Å; L310-N312 PolarHBondContact O-N 3.42Å; L310-D313 WeakPolarHBondContact CA-OD2 3.32Å; L310-D313 PolarHBondContact O-N 3.18Å; L310-M319 HydrophobicContact CD1-CE 3.66Å; L310-M319 HydrophobicContact CD2-CE 3.97Å; L310-M319 HydrophobicContact CD2-CG 4.43Å; L310-M319 HydrophobicContact CD2-SD 4.46Å; L310-M319 HydrophobicContact CG-CE 4.49Å; L310-K323 HydrophobicContact CD2-CB 4.2Å; L310-K323 HydrophobicContact CD2-CD 4.14Å; L310-C327 VanDerWaalsContact CG-SG 3.59Å; L310-V367 HydrophobicContact CB-CG1 4.23Å; L310-V367 HydrophobicContact CD1-CG1 4.07Å; L310-V367 HydrophobicContact CD2-CG1 4.1Å; L310-V367 HydrophobicContact CG-CG1 4.35Å; L310-E371 HydrophobicContact CD1-CB 3.93Å; L310-E371 HydrophobicContact CD1-CG 3.87Å; L310-E371 VanDerWaalsContact CD1-OE2 3.28Å; L310-E371 WeakPolarHBondContact CD1-OE2 3.14Å
311	Q	78.3	Confident	89	Confident	97 Å²	97	63.1 Å²	63.1	45%	0.453	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.3	-172.1	-165.8	177	29.7	0	0	113.8	W308	W308-Q311 WeakPolarHBondContact O-CB 3.26Å; W308-Q311 PolarHBondContact O-N 2.79Å
312	N	79.7	Confident	88.8	Confident	149 Å²	149	69.9 Å²	69.9	80%	0.797	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-1.2	178.4	-64.2	-59.7	0	0	0	113.7	L310	L310-N312 PolarHBondContact O-N 3.42Å
313	D	82.4	Confident	88.5	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.203	33%	0.334	C	S	.	.	S	Bend	trans	-81.2	148.5	178.4	-70.8	-57.5	0	0	0	111.1	L310 Q315 K323 V367	L310-D313 WeakPolarHBondContact CA-OD2 3.32Å; L310-D313 PolarHBondContact O-N 3.18Å; D313-Q315 PolarHBondContact O-N 3.38Å; D313-K323 IonicContact OD1-NZ 2.92Å; D313-K323 PolarHBondContact OD1-NZ 3.19Å; D313-K323 WeakPolarHBondContact OD2-CD 3.2Å; D313-K323 IonicContact OD2-NZ 3.62Å; D313-K323 PolarHBondContact OD2-NZ 3.01Å; D313-V367 HydrophobicContact CB-CG1 4.48Å; D313-V367 HydrophobicContact CB-CG2 4.19Å
314	Y	82.6	Confident	88.2	Confident	186 Å²	186	74.7 Å²	74.7	73%	0.729	35%	0.35	S	S	*	.			trans	-69.7	121.5	164	-67.2	-78.6	0	0	0	108.3	N316 S317	Y314-N316 PolarHBondContact O-N 3.08Å; Y314-N316 VanDerWaalsContact O-N 3.15Å; Y314-S317 VanDerWaalsContact O-CB 3.25Å; Y314-S317 WeakPolarHBondContact O-CB 3.19Å; Y314-S317 PolarHBondContact O-N 3.23Å; Y314-S317 PolarHBondContact O-OG 2.87Å
315	Q	80.4	Confident	88	Confident	86 Å²	86	77.1 Å²	77.1	40%	0.402	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.3	-178.4	-84.9	-176.1	-21.4	0	0	114.2	D313 S317 L357 V367 N368	D313-Q315 PolarHBondContact O-N 3.38Å; Q315-S317 VanDerWaalsContact C-N 3.33Å; Q315-S317 PolarHBondContact O-N 3.1Å; Q315-L357 VanDerWaalsContact NE2-C 3.3Å; Q315-L357 PolarHBondContact NE2-O 3.01Å; Q315-V367 PolarHBondContact O-N 2.63Å; Q315-N368 HydrophobicContact CB-CB 4.49Å; Q315-N368 VanDerWaalsContact CB-CG 3.49Å; Q315-N368 WeakPolarHBondContact CB-OD1 3.46Å; Q315-N368 WeakPolarHBondContact CG-OD1 3.13Å; Q315-N368 VanDerWaalsContact O-CB 3.26Å; Q315-N368 WeakPolarHBondContact O-CB 3.3Å; Q315-N368 PolarHBondContact O-N 3.1Å
316	N	84	Confident	87.9	Confident	112 Å²	112	80.2 Å²	80.2	60%	0.599	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.5	179.5	65.5	-4.1	0	0	0	114.8	Y314 D361	Y314-N316 PolarHBondContact O-N 3.08Å; Y314-N316 VanDerWaalsContact O-N 3.15Å; N316-D361 WeakPolarHBondContact CA-OD2 3.47Å
317	S	89.2	Confident	88	Confident	37 Å²	37	77.7 Å²	77.7	26%	0.259	37%	0.372	S	S	.	.	S	Bend	trans	-76.5	153.7	178.9	71.3	0	0	0	0	111.1	Y314 Q315 M319 S366 V367	Y314-S317 VanDerWaalsContact O-CB 3.25Å; Y314-S317 WeakPolarHBondContact O-CB 3.19Å; Y314-S317 PolarHBondContact O-N 3.23Å; Y314-S317 PolarHBondContact O-OG 2.87Å; Q315-S317 VanDerWaalsContact C-N 3.33Å; Q315-S317 PolarHBondContact O-N 3.1Å; S317-M319 PolarHBondContact O-N 3.44Å; S317-S366 CarbonylContact O-C 3.53Å; S317-S366 VanDerWaalsContact O-CA 3.24Å; S317-S366 WeakPolarHBondContact O-CA 3.16Å; S317-V367 PolarHBondContact O-N 2.82Å
318	T	91.1	Very high	87.9	Confident	93 Å²	93	78.7 Å²	78.7	57%	0.571	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-65.7	125.9	174.2	-58.4	0	0	0	0	110.3	P320 S365	T318-P320 VanDerWaalsContact O-CD 3.29Å; T318-P320 WeakPolarHBondContact O-CD 3.44Å; T318-S365 WeakPolarHBondContact CA-O 3.44Å
319	M	89.8	Confident	88.2	Confident	12 Å²	12	74.8 Å²	74.8	6%	0.059	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-68.6	121.5	-179.7	-167.9	-175.6	-77.2	0	0	110.5	L310 S317 F321 K323 K324 S365 V367 L370 E371	L310-M319 HydrophobicContact CD1-CE 3.66Å; L310-M319 HydrophobicContact CD2-CE 3.97Å; L310-M319 HydrophobicContact CD2-CG 4.43Å; L310-M319 HydrophobicContact CD2-SD 4.46Å; L310-M319 HydrophobicContact CG-CE 4.49Å; S317-M319 PolarHBondContact O-N 3.44Å; M319-F321 PolarHBondContact O-N 3.36Å; M319-K323 HydrophobicContact CG-CB 4.25Å; M319-K324 HydrophobicContact CG-CB 4.31Å; M319-K324 WeakPolarHBondContact SD-CA 3.45Å; M319-K324 HydrophobicContact SD-CB 3.59Å; M319-K324 VanDerWaalsContact SD-CB 3.59Å; M319-K324 HydrophobicContact SD-CG 4.01Å; M319-S365 PolarHBondContact N-O 3.08Å; M319-V367 HydrophobicContact CB-CG2 3.79Å; M319-V367 HydrophobicContact CE-CB 4.28Å; M319-V367 HydrophobicContact CE-CG1 4.09Å; M319-V367 HydrophobicContact CE-CG2 4.42Å; M319-V367 HydrophobicContact CG-CG2 4.05Å; M319-L370 HydrophobicContact CB-CD1 3.75Å; M319-L370 HydrophobicContact CE-CB 3.97Å; M319-L370 HydrophobicContact SD-CB 4.33Å; M319-L370 HydrophobicContact SD-CD1 4.43Å; M319-E371 HydrophobicContact CE-CB 4.14Å
320	P	91.4	Very high	88.5	Confident	48 Å²	48	78.8 Å²	78.8	31%	0.312	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-59.4	137.1	172.8	-23	33.8	0	0	0	111.2	T318 W322 K323 K324	T318-P320 VanDerWaalsContact O-CD 3.29Å; T318-P320 WeakPolarHBondContact O-CD 3.44Å; P320-W322 VanDerWaalsContact C-N 3.25Å; P320-W322 PolarHBondContact O-N 2.98Å; P320-W322 VanDerWaalsContact O-N 3.13Å; P320-K323 HydrophobicContact CB-CG 4.34Å; P320-K323 HydrophobicContact CG-CD 4.22Å; P320-K323 HydrophobicContact CG-CG 4.42Å; P320-K323 WeakPolarHBondContact O-CB 3.44Å; P320-K323 PolarHBondContact O-N 3.11Å; P320-K324 PolarHBondContact O-N 3.23Å; P320-K324 VanDerWaalsContact O-N 3.11Å
321	F	92.1	Very high	88.8	Confident	165 Å²	165	78.7 Å²	78.7	72%	0.724	39%	0.39	S	S	*	.	H	α-helix	trans	-51.9	-41.3	-176.9	175.1	-102.2	0	0	0	113.6	M319 K323 K324 V325	M319-F321 PolarHBondContact O-N 3.36Å; F321-K323 VanDerWaalsContact C-N 3.33Å; F321-K323 PolarHBondContact O-N 3.44Å; F321-K324 WeakPolarHBondContact O-CB 3.3Å; F321-K324 PolarHBondContact O-N 2.85Å; F321-V325 HydrophobicContact CD1-CG2 4.24Å; F321-V325 HydrophobicContact CD2-CG2 4.41Å; F321-V325 HydrophobicContact CE1-CG2 3.73Å; F321-V325 HydrophobicContact CE2-CG2 3.92Å; F321-V325 HydrophobicContact CZ-CG2 3.55Å; F321-V325 WeakPolarHBondContact O-CG2 3.34Å; F321-V325 PolarHBondContact O-N 2.66Å
322	W	93.3	Very high	89.6	Confident	144 Å²	144	74.2 Å²	74.2	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-66.9	-32.7	179.9	70.6	-93.1	0	0	0	112.7	I309 P320 L326	I309-W322 HydrophobicContact CG2-CH2 4.37Å; I309-W322 HydrophobicContact CG2-CZ3 4.25Å; P320-W322 VanDerWaalsContact C-N 3.25Å; P320-W322 PolarHBondContact O-N 2.98Å; P320-W322 VanDerWaalsContact O-N 3.13Å; W322-L326 HydrophobicContact CE3-CD1 3.59Å; W322-L326 HydrophobicContact CZ3-CD1 3.67Å; W322-L326 WeakPolarHBondContact O-CG 3.27Å; W322-L326 PolarHBondContact O-N 3.11Å; W322-L326 VanDerWaalsContact O-N 3.1Å
323	K	93	Very high	90.2	Very high	26 Å²	26	68.8 Å²	68.8	11%	0.113	34%	0.342	C	S	.	.	H	α-helix	trans	-69	-44.6	174.2	-69.1	-166.9	174.9	-172.3	0	110.5	I309 L310 D313 M319 P320 F321 V325 L326 C327	I309-K323 HydrophobicContact CG2-CD 4.06Å; I309-K323 HydrophobicContact CG2-CG 3.99Å; L310-K323 HydrophobicContact CD2-CB 4.2Å; L310-K323 HydrophobicContact CD2-CD 4.14Å; D313-K323 IonicContact OD1-NZ 2.92Å; D313-K323 PolarHBondContact OD1-NZ 3.19Å; D313-K323 WeakPolarHBondContact OD2-CD 3.2Å; D313-K323 IonicContact OD2-NZ 3.62Å; D313-K323 PolarHBondContact OD2-NZ 3.01Å; M319-K323 HydrophobicContact CG-CB 4.25Å; P320-K323 HydrophobicContact CB-CG 4.34Å; P320-K323 HydrophobicContact CG-CD 4.22Å; P320-K323 HydrophobicContact CG-CG 4.42Å; P320-K323 WeakPolarHBondContact O-CB 3.44Å; P320-K323 PolarHBondContact O-N 3.11Å; F321-K323 VanDerWaalsContact C-N 3.33Å; F321-K323 PolarHBondContact O-N 3.44Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V325 PolarHBondContact O-N 2.95Å; K323-L326 PolarHBondContact O-N 3.48Å; K323-L326 VanDerWaalsContact O-N 3.1Å; K323-C327 PolarHBondContact O-N 3.21Å; K323-C327 PolarHBondContact O-SG 3.03Å
324	K	91.3	Very high	90.8	Very high	78 Å²	78	68.9 Å²	68.9	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-53.8	-48.8	173.5	-170.2	-176	176.2	173.4	0	111.9	M319 P320 F321 L326 C327 D328 L370	M319-K324 HydrophobicContact CG-CB 4.31Å; M319-K324 WeakPolarHBondContact SD-CA 3.45Å; M319-K324 HydrophobicContact SD-CB 3.59Å; M319-K324 VanDerWaalsContact SD-CB 3.59Å; M319-K324 HydrophobicContact SD-CG 4.01Å; P320-K324 PolarHBondContact O-N 3.23Å; P320-K324 VanDerWaalsContact O-N 3.11Å; F321-K324 WeakPolarHBondContact O-CB 3.3Å; F321-K324 PolarHBondContact O-N 2.85Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.39Å; K324-C327 PolarHBondContact O-N 3.36Å; K324-D328 WeakPolarHBondContact CE-OD2 3.48Å; K324-D328 WeakPolarHBondContact CG-OD2 3.27Å; K324-D328 VanDerWaalsContact O-CB 3.26Å; K324-D328 WeakPolarHBondContact O-CB 3.4Å; K324-D328 PolarHBondContact O-N 3.08Å; K324-L370 HydrophobicContact CD-CD1 4.49Å
325	V	92.7	Very high	91.5	Very high	56 Å²	56	60 Å²	60	34%	0.339	31%	0.309	S	S	.	.	I	π-helix	trans	-61.6	-42.1	177.5	171.8	0	0	0	0	111.4	F321 K323 S329 F330	F321-V325 HydrophobicContact CD1-CG2 4.24Å; F321-V325 HydrophobicContact CD2-CG2 4.41Å; F321-V325 HydrophobicContact CE1-CG2 3.73Å; F321-V325 HydrophobicContact CE2-CG2 3.92Å; F321-V325 HydrophobicContact CZ-CG2 3.55Å; F321-V325 WeakPolarHBondContact O-CG2 3.34Å; F321-V325 PolarHBondContact O-N 2.66Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V325 PolarHBondContact O-N 2.95Å; V325-S329 CarbonylContact O-C 3Å; V325-S329 WeakPolarHBondContact O-CA 3.33Å; V325-S329 WeakPolarHBondContact O-CB 3.15Å; V325-S329 PolarHBondContact O-N 3.31Å; V325-S329 VanDerWaalsContact O-N 3.1Å; V325-F330 PolarHBondContact O-N 2.95Å
326	L	93.3	Very high	92.2	Very high	66 Å²	66	56.1 Å²	56.1	35%	0.346	29%	0.291	S	S	.	.	I	π-helix	trans	-68.6	-43	179.6	-71.8	176.7	0	0	0	113.1	I309 W322 K323 K324 F330 L331	I309-L326 HydrophobicContact CD1-CB 3.68Å; I309-L326 HydrophobicContact CD1-CD1 3.84Å; I309-L326 HydrophobicContact CD1-CG 4.38Å; W322-L326 HydrophobicContact CE3-CD1 3.59Å; W322-L326 HydrophobicContact CZ3-CD1 3.67Å; W322-L326 WeakPolarHBondContact O-CG 3.27Å; W322-L326 PolarHBondContact O-N 3.11Å; W322-L326 VanDerWaalsContact O-N 3.1Å; K323-L326 PolarHBondContact O-N 3.48Å; K323-L326 VanDerWaalsContact O-N 3.1Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.39Å; L326-F330 WeakPolarHBondContact O-CB 3.47Å; L326-L331 VanDerWaalsContact O-CB 3.25Å; L326-L331 WeakPolarHBondContact O-CB 3.39Å; L326-L331 PolarHBondContact O-N 3.35Å
327	C	92.6	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-73.1	-62.8	178.5	-61.5	0	0	0	0	110.7	C307 L310 K323 K324 L331 L332	C307-C327 HydrophobicContact CB-CB 3.79Å; C307-C327 WeakPolarHBondContact CB-SG 3.43Å; C307-C327 WeakPolarHBondContact SG-CB 3.06Å; C307-C327 CovalentContact SG-SG 2.04Å; C307-C327 PolarHBondContact SG-SG 3.03Å; L310-C327 VanDerWaalsContact CG-SG 3.59Å; K323-C327 PolarHBondContact O-N 3.21Å; K323-C327 PolarHBondContact O-SG 3.03Å; K324-C327 PolarHBondContact O-N 3.36Å; C327-L331 PolarHBondContact O-N 3.13Å; C327-L332 WeakPolarHBondContact O-CB 3.47Å; C327-L332 PolarHBondContact O-N 3.29Å
328	D	91.1	Very high	93.1	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.15	27%	0.268	C	S	.	.	I	π-helix	trans	-74.2	-38.7	-169	-50.9	7.9	0	0	0	112.7	K324 P333 A374	K324-D328 WeakPolarHBondContact CE-OD2 3.48Å; K324-D328 WeakPolarHBondContact CG-OD2 3.27Å; K324-D328 VanDerWaalsContact O-CB 3.26Å; K324-D328 WeakPolarHBondContact O-CB 3.4Å; K324-D328 PolarHBondContact O-N 3.08Å; D328-P333 WeakPolarHBondContact O-CD 3.43Å; D328-P333 VanDerWaalsContact O-CG 3.25Å; D328-P333 WeakPolarHBondContact O-CG 3.49Å; D328-A374 HydrophobicContact CB-CB 4.06Å
329	S	90.7	Very high	93.3	Very high	85 Å²	85	47.2 Å²	47.2	59%	0.594	24%	0.241	S	C	*	.	I	π-helix	trans	-99.2	-14.3	-171.5	-50	0	0	0	0	113.8	V325	V325-S329 CarbonylContact O-C 3Å; V325-S329 WeakPolarHBondContact O-CA 3.33Å; V325-S329 WeakPolarHBondContact O-CB 3.15Å; V325-S329 PolarHBondContact O-N 3.31Å; V325-S329 VanDerWaalsContact O-N 3.1Å
330	F	92.2	Very high	93.6	Very high	131 Å²	131	48.1 Å²	48.1	58%	0.575	25%	0.245	S	C	*	.	I	π-helix	trans	-124	-62.1	-178.3	-175.2	-97.1	0	0	0	112.6	V325 L326 T334	V325-F330 PolarHBondContact O-N 2.95Å; L326-F330 WeakPolarHBondContact O-CB 3.47Å; F330-T334 WeakPolarHBondContact O-CB 3.5Å; F330-T334 PolarHBondContact O-N 2.89Å; F330-T334 PolarHBondContact O-OG1 3.06Å
331	L	93.4	Very high	93.8	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	25%	0.253	C	S	.	.	I	π-helix	trans	-66.9	-55.6	-170.6	-166.5	72.8	0	0	0	111.7	F270 Y305 C307 W308 L326 C327 T334 V335	F270-L331 HydrophobicContact CD1-CD1 3.43Å; F270-L331 VanDerWaalsContact CD1-CD1 3.43Å; F270-L331 HydrophobicContact CD1-CD2 4.2Å; F270-L331 HydrophobicContact CD1-CG 3.78Å; F270-L331 HydrophobicContact CE1-CD1 3.87Å; F270-L331 HydrophobicContact CE1-CD2 3.74Å; F270-L331 HydrophobicContact CE1-CG 3.73Å; Y305-L331 HydrophobicContact CE2-CD2 4.06Å; Y305-L331 HydrophobicContact CE2-CG 4.1Å; C307-L331 HydrophobicContact CB-CD2 4.27Å; W308-L331 VanDerWaalsContact CD1-CD2 3.48Å; L326-L331 VanDerWaalsContact O-CB 3.25Å; L326-L331 WeakPolarHBondContact O-CB 3.39Å; L326-L331 PolarHBondContact O-N 3.35Å; C327-L331 PolarHBondContact O-N 3.13Å; L331-T334 WeakPolarHBondContact O-CB 3.46Å; L331-T334 PolarHBondContact O-N 3.22Å; L331-V335 WeakPolarHBondContact O-CG2 3.31Å; L331-V335 PolarHBondContact O-N 3.13Å
332	L	94.4	Very high	94	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-52	-178.8	172.3	63.5	0	0	0	112.3	Y305 C327 T334 V335 I336 A374 V375 E378	Y305-L332 HydrophobicContact CD1-CD1 3.94Å; Y305-L332 HydrophobicContact CD2-CD1 4.09Å; Y305-L332 HydrophobicContact CE1-CB 4.2Å; Y305-L332 HydrophobicContact CE1-CD1 3.92Å; Y305-L332 HydrophobicContact CE1-CG 4.49Å; Y305-L332 HydrophobicContact CE2-CB 3.83Å; Y305-L332 HydrophobicContact CE2-CD1 4.07Å; Y305-L332 HydrophobicContact CG-CD1 4.03Å; C327-L332 WeakPolarHBondContact O-CB 3.47Å; C327-L332 PolarHBondContact O-N 3.29Å; L332-T334 VanDerWaalsContact C-N 3.26Å; L332-T334 PolarHBondContact O-N 3.13Å; L332-V335 PolarHBondContact O-N 3.33Å; L332-V335 VanDerWaalsContact O-N 3.17Å; L332-I336 HydrophobicContact CD1-CG1 4.13Å; L332-I336 WeakPolarHBondContact O-CG1 3.32Å; L332-I336 PolarHBondContact O-N 3.47Å; L332-A374 HydrophobicContact CD2-CB 4.25Å; L332-A374 VanDerWaalsContact CD2-O 3.31Å; L332-A374 WeakPolarHBondContact CD2-O 3.31Å; L332-V375 HydrophobicContact CD1-CG2 4.43Å; L332-V375 HydrophobicContact CD2-CG2 4.18Å; L332-E378 HydrophobicContact CD1-CB 4.48Å; L332-E378 HydrophobicContact CD2-CB 3.74Å; L332-E378 HydrophobicContact CD2-CG 4.31Å; L332-E378 HydrophobicContact CG-CB 4.04Å; L332-E378 HydrophobicContact CG-CG 4.07Å
333	P	94.1	Very high	94.1	Very high	36 Å²	36	37 Å²	37	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-34.3	175.4	-26.3	35.3	0	0	0	113.4	D328 S337	D328-P333 WeakPolarHBondContact O-CD 3.43Å; D328-P333 VanDerWaalsContact O-CG 3.25Å; D328-P333 WeakPolarHBondContact O-CG 3.49Å; P333-S337 WeakPolarHBondContact O-CB 3.45Å; P333-S337 PolarHBondContact O-N 3.26Å
334	T	94.4	Very high	94.2	Very high	39 Å²	39	43.9 Å²	43.9	24%	0.239	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-44.7	176.4	-65.7	0	0	0	0	111	F330 L331 L332 S337 N338	F330-T334 WeakPolarHBondContact O-CB 3.5Å; F330-T334 PolarHBondContact O-N 2.89Å; F330-T334 PolarHBondContact O-OG1 3.06Å; L331-T334 WeakPolarHBondContact O-CB 3.46Å; L331-T334 PolarHBondContact O-N 3.22Å; L332-T334 VanDerWaalsContact C-N 3.26Å; L332-T334 PolarHBondContact O-N 3.13Å; T334-S337 PolarHBondContact O-N 3.41Å; T334-N338 WeakPolarHBondContact O-CB 3.47Å; T334-N338 PolarHBondContact O-N 3.28Å; T334-N338 PolarHBondContact O-ND2 3.15Å
335	V	96.2	Very high	94.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-53.2	176.6	165.2	0	0	0	0	111	I269 F270 Y303 Y305 L331 L332 S337 N338 V339	I269-V335 HydrophobicContact CB-CG1 4.36Å; I269-V335 HydrophobicContact CD1-CB 4.11Å; I269-V335 HydrophobicContact CD1-CG1 3.31Å; I269-V335 HydrophobicContact CD1-CG2 3.67Å; I269-V335 HydrophobicContact CG1-CG1 4.42Å; F270-V335 HydrophobicContact CD1-CG2 3.27Å; F270-V335 HydrophobicContact CE1-CG2 3.48Å; F270-V335 VanDerWaalsContact CE1-CG2 3.48Å; F270-V335 HydrophobicContact CG-CG2 3.98Å; F270-V335 HydrophobicContact CZ-CG2 4.31Å; Y303-V335 HydrophobicContact CD2-CG1 4.24Å; Y303-V335 HydrophobicContact CE2-CG1 4.15Å; Y305-V335 HydrophobicContact CD2-CB 4.13Å; Y305-V335 HydrophobicContact CD2-CG1 4.12Å; Y305-V335 HydrophobicContact CD2-CG2 3.98Å; Y305-V335 HydrophobicContact CE2-CG2 4.28Å; L331-V335 WeakPolarHBondContact O-CG2 3.31Å; L331-V335 PolarHBondContact O-N 3.13Å; L332-V335 PolarHBondContact O-N 3.33Å; L332-V335 VanDerWaalsContact O-N 3.17Å; V335-S337 VanDerWaalsContact C-N 3.3Å; V335-S337 PolarHBondContact O-N 3.14Å; V335-N338 PolarHBondContact O-N 2.65Å; V335-N338 VanDerWaalsContact O-N 3.08Å; V335-V339 HydrophobicContact CG1-CG2 4.46Å; V335-V339 WeakPolarHBondContact O-CG2 3.11Å; V335-V339 PolarHBondContact O-N 3.22Å
336	I	95.4	Very high	94.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-42.2	179.9	-61.2	-63.3	0	0	0	110.9	Y303 L332 N338 V339 I340 E378 H382	Y303-I336 HydrophobicContact CE2-CD1 4.06Å; Y303-I336 WeakPolarHBondContact OH-CD1 3.33Å; L332-I336 HydrophobicContact CD1-CG1 4.13Å; L332-I336 WeakPolarHBondContact O-CG1 3.32Å; L332-I336 PolarHBondContact O-N 3.47Å; I336-N338 VanDerWaalsContact C-N 3.33Å; I336-N338 PolarHBondContact O-N 3.45Å; I336-V339 PolarHBondContact O-N 2.77Å; I336-I340 HydrophobicContact CG2-CD1 3.78Å; I336-I340 HydrophobicContact CG2-CG1 4.41Å; I336-I340 WeakPolarHBondContact O-CB 3.14Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.14Å; I336-I340 PolarHBondContact O-N 3.37Å; I336-E378 HydrophobicContact CG1-CG 3.97Å; I336-H382 HydrophobicContact CG2-CB 4.27Å; I336-H382 VanDerWaalsContact CG2-CD2 3.45Å; I336-H382 WeakPolarHBondContact CG2-CD2 3.35Å
337	S	95.6	Very high	94.6	Very high	46 Å²	46	40.2 Å²	40.2	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-59.9	-41.5	174.7	-171.5	0	0	0	0	112.5	P333 T334 V335 K341	P333-S337 WeakPolarHBondContact O-CB 3.45Å; P333-S337 PolarHBondContact O-N 3.26Å; T334-S337 PolarHBondContact O-N 3.41Å; V335-S337 VanDerWaalsContact C-N 3.3Å; V335-S337 PolarHBondContact O-N 3.14Å; S337-K341 WeakPolarHBondContact O-CB 3.28Å; S337-K341 VanDerWaalsContact O-CG 3.23Å; S337-K341 WeakPolarHBondContact O-CG 3.41Å; S337-K341 PolarHBondContact O-N 3.39Å; S337-K341 WeakPolarHBondContact OG-CE 3.29Å; S337-K341 PolarHBondContact OG-NZ 3.12Å
338	N	96.3	Very high	94.8	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-41.8	178.5	-71.3	-21.6	0	0	0	111.9	I269 T271 P272 T334 V335 I336 K341 A342	I269-N338 VanDerWaalsContact O-CB 3.31Å; I269-N338 WeakPolarHBondContact O-CB 3.49Å; I269-N338 PolarHBondContact O-ND2 3.47Å; T271-N338 PolarHBondContact O-ND2 3.28Å; P272-N338 WeakPolarHBondContact CA-OD1 3.4Å; T334-N338 WeakPolarHBondContact O-CB 3.47Å; T334-N338 PolarHBondContact O-N 3.28Å; T334-N338 PolarHBondContact O-ND2 3.15Å; V335-N338 PolarHBondContact O-N 2.65Å; V335-N338 VanDerWaalsContact O-N 3.08Å; I336-N338 VanDerWaalsContact C-N 3.33Å; I336-N338 PolarHBondContact O-N 3.45Å; N338-K341 PolarHBondContact O-N 2.85Å; N338-A342 WeakPolarHBondContact O-CB 3.45Å; N338-A342 PolarHBondContact O-N 3.15Å
339	V	96.8	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-48.2	174.9	171.9	0	0	0	0	110.5	I269 L301 Y303 V335 I336 K341 A342 T343 R350	I269-V339 HydrophobicContact CB-CG2 4.37Å; I269-V339 HydrophobicContact CG2-CG2 3.99Å; L301-V339 HydrophobicContact CD2-CG1 4.03Å; Y303-V339 HydrophobicContact CD1-CB 4.48Å; Y303-V339 HydrophobicContact CD1-CG1 3.74Å; Y303-V339 HydrophobicContact CD1-CG2 3.9Å; Y303-V339 HydrophobicContact CD2-CG2 3.72Å; Y303-V339 HydrophobicContact CE1-CB 4.36Å; Y303-V339 HydrophobicContact CE1-CG1 3.57Å; Y303-V339 HydrophobicContact CE1-CG2 4.11Å; Y303-V339 HydrophobicContact CE2-CG2 3.91Å; Y303-V339 HydrophobicContact CG-CG1 4.4Å; Y303-V339 HydrophobicContact CG-CG2 3.7Å; V335-V339 HydrophobicContact CG1-CG2 4.46Å; V335-V339 WeakPolarHBondContact O-CG2 3.11Å; V335-V339 PolarHBondContact O-N 3.22Å; I336-V339 PolarHBondContact O-N 2.77Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 2.8Å; V339-A342 WeakPolarHBondContact O-CB 3.37Å; V339-A342 PolarHBondContact O-N 2.95Å; V339-A342 VanDerWaalsContact O-N 3.12Å; V339-T343 PolarHBondContact O-N 3.47Å; V339-T343 PolarHBondContact O-OG1 3.31Å; V339-R350 HydrophobicContact CG1-CB 3.71Å; V339-R350 HydrophobicContact CG1-CG 4.35Å
340	I	96.1	Very high	95.5	Very high	30 Å²	30	37.5 Å²	37.5	15%	0.154	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-43.4	176.2	-69.6	167	0	0	0	111.3	I336 A342 T343 K344 R350	I336-I340 HydrophobicContact CG2-CD1 3.78Å; I336-I340 HydrophobicContact CG2-CG1 4.41Å; I336-I340 WeakPolarHBondContact O-CB 3.14Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.14Å; I336-I340 PolarHBondContact O-N 3.37Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-T343 PolarHBondContact O-OG1 3.23Å; I340-K344 HydrophobicContact CG2-CD 4.11Å; I340-K344 WeakPolarHBondContact O-CB 3.28Å; I340-K344 VanDerWaalsContact O-CG 3.25Å; I340-K344 WeakPolarHBondContact O-CG 3.3Å; I340-K344 PolarHBondContact O-N 3.35Å; I340-R350 VanDerWaalsContact CG1-CZ 3.5Å
341	K	95.3	Very high	95.8	Very high	107 Å²	107	31.3 Å²	31.3	47%	0.465	17%	0.171	S	C	.	.	H	α-helix	trans	-66.6	-36.5	177.2	-73.7	169.1	-172.4	167.8	0	111.8	S337 N338 V339 T345	S337-K341 WeakPolarHBondContact O-CB 3.28Å; S337-K341 VanDerWaalsContact O-CG 3.23Å; S337-K341 WeakPolarHBondContact O-CG 3.41Å; S337-K341 PolarHBondContact O-N 3.39Å; S337-K341 WeakPolarHBondContact OG-CE 3.29Å; S337-K341 PolarHBondContact OG-NZ 3.12Å; N338-K341 PolarHBondContact O-N 2.85Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 2.8Å; K341-T345 PolarHBondContact O-N 2.87Å; K341-T345 VanDerWaalsContact O-N 3.16Å; K341-T345 PolarHBondContact O-OG1 3.28Å
342	A	95.3	Very high	96	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-51.2	176.3	0	0	0	0	0	111.1	L273 T281 L301 N338 V339 I340 K344 T345 T346	L273-A342 HydrophobicContact CD1-CB 4.1Å; T281-A342 HydrophobicContact CG2-CB 4.13Å; L301-A342 HydrophobicContact CD2-CB 3.87Å; N338-A342 WeakPolarHBondContact O-CB 3.45Å; N338-A342 PolarHBondContact O-N 3.15Å; V339-A342 WeakPolarHBondContact O-CB 3.37Å; V339-A342 PolarHBondContact O-N 2.95Å; V339-A342 VanDerWaalsContact O-N 3.12Å; I340-A342 VanDerWaalsContact C-N 3.33Å; A342-K344 VanDerWaalsContact C-N 3.35Å; A342-K344 PolarHBondContact O-N 3.2Å; A342-T345 WeakPolarHBondContact O-CA 3.46Å; A342-T345 WeakPolarHBondContact O-CB 3.36Å; A342-T345 PolarHBondContact O-N 2.85Å; A342-T346 PolarHBondContact O-N 3.35Å; A342-T346 PolarHBondContact O-OG1 3.2Å; A342-T346 VanDerWaalsContact O-OG1 3.08Å
343	T	96.1	Very high	96.2	Very high	17 Å²	17	30.5 Å²	30.5	10%	0.104	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-31.5	178.8	56.4	0	0	0	0	113.2	L301 V339 I340 T345 T346 G347 G349 R350	L301-T343 HydrophobicContact CB-CG2 3.86Å; L301-T343 HydrophobicContact CD2-CG2 3.98Å; V339-T343 PolarHBondContact O-N 3.47Å; V339-T343 PolarHBondContact O-OG1 3.31Å; I340-T343 PolarHBondContact O-OG1 3.23Å; T343-T345 PolarHBondContact O-N 3.08Å; T343-T346 WeakPolarHBondContact CA-OG1 3.39Å; T343-T346 PolarHBondContact O-N 2.97Å; T343-G347 CarbonylContact O-C 3.58Å; T343-G347 WeakPolarHBondContact O-CA 3.23Å; T343-G347 PolarHBondContact O-N 3.03Å; T343-G349 WeakPolarHBondContact CG2-O 3.43Å; T343-R350 HydrophobicContact CG2-CB 4.02Å
344	K	94.9	Very high	96.3	Very high	170 Å²	170	29.1 Å²	29.1	74%	0.739	16%	0.158	S	C	*	.	H	α-helix	trans	-60.9	-32.2	168.2	-78.2	177.2	-179.8	-178.5	0	113.1	I340 A342	I340-K344 HydrophobicContact CG2-CD 4.11Å; I340-K344 WeakPolarHBondContact O-CB 3.28Å; I340-K344 VanDerWaalsContact O-CG 3.25Å; I340-K344 WeakPolarHBondContact O-CG 3.3Å; I340-K344 PolarHBondContact O-N 3.35Å; A342-K344 VanDerWaalsContact C-N 3.35Å; A342-K344 PolarHBondContact O-N 3.2Å
345	T	93.4	Very high	96.3	Very high	85 Å²	85	27.3 Å²	27.3	52%	0.521	15%	0.146	S	C	.	.	H	α-helix	trans	-80.8	-44.6	179.1	-56.8	0	0	0	0	111.4	K341 A342 T343	K341-T345 PolarHBondContact O-N 2.87Å; K341-T345 VanDerWaalsContact O-N 3.16Å; K341-T345 PolarHBondContact O-OG1 3.28Å; A342-T345 WeakPolarHBondContact O-CA 3.46Å; A342-T345 WeakPolarHBondContact O-CB 3.36Å; A342-T345 PolarHBondContact O-N 2.85Å; T343-T345 PolarHBondContact O-N 3.08Å
346	T	95.2	Very high	95.8	Very high	12 Å²	12	27.8 Å²	27.8	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-86.9	-23.2	-173.9	56.4	0	0	0	0	113.8	F283 A342 T343	F283-T346 HydrophobicContact CB-CG2 4.01Å; F283-T346 WeakPolarHBondContact O-CG2 3.38Å; A342-T346 PolarHBondContact O-N 3.35Å; A342-T346 PolarHBondContact O-OG1 3.2Å; A342-T346 VanDerWaalsContact O-OG1 3.08Å; T343-T346 WeakPolarHBondContact CA-OG1 3.39Å; T343-T346 PolarHBondContact O-N 2.97Å
347	G	96.1	Very high	94.8	Very high	26 Å²	26	32.2 Å²	32.2	27%	0.268	18%	0.175	S	C	.	.			trans	74.3	-178.3	-156.1	0	0	0	0	0	112	V286 T343	V286-G347 WeakPolarHBondContact CG1-O 3.48Å; T343-G347 CarbonylContact O-C 3.58Å; T343-G347 WeakPolarHBondContact O-CA 3.23Å; T343-G347 PolarHBondContact O-N 3.03Å
348	G	97.6	Very high	94.1	Very high	13 Å²	13	30.2 Å²	30.2	13%	0.134	16%	0.161	C	C	.	.	S	Bend	trans	87	-179.1	177.9	0	0	0	0	0	114.6	G34 P296 S299	G34-G348 WeakPolarHBondContact CA-O 3.25Å; P296-G348 WeakPolarHBondContact O-CA 3.41Å; S299-G348 CarbonylContact O-C 3.5Å; S299-G348 VanDerWaalsContact O-CA 3.25Å; S299-G348 WeakPolarHBondContact O-CA 3.39Å
349	G	98.2	Very high	93	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	178.8	-179.6	0	0	0	0	0	112	G34 S299 V300 L301 T343	G34-G349 WeakPolarHBondContact O-CA 3.31Å; S299-G349 PolarHBondContact O-N 3.27Å; V300-G349 WeakPolarHBondContact CA-O 3.35Å; L301-G349 PolarHBondContact N-O 2.97Å; T343-G349 WeakPolarHBondContact CG2-O 3.43Å
350	R	98	Very high	92	Very high	42 Å²	42	31.4 Å²	31.4	16%	0.158	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.7	173.2	49.2	179.3	178.3	128.2	7.6	109.4	L301 Y303 V339 I340 T343 H382 E384	L301-R350 WeakPolarHBondContact O-CA 3.49Å; Y303-R350 HydrophobicContact CE1-CB 4.28Å; V339-R350 HydrophobicContact CG1-CB 3.71Å; V339-R350 HydrophobicContact CG1-CG 4.35Å; I340-R350 VanDerWaalsContact CG1-CZ 3.5Å; T343-R350 HydrophobicContact CG2-CB 4.02Å; R350-H382 PolarHBondContact NH2-O 2.53Å; R350-E384 WeakPolarHBondContact CD-OE2 3.5Å; R350-E384 WeakPolarHBondContact CG-OE1 3.38Å; R350-E384 WeakPolarHBondContact CG-OE2 3.38Å; R350-E384 IonicContact CZ-OE2 2.82Å; R350-E384 IonicContact NE-OE2 3.06Å; R350-E384 PolarHBondContact NE-OE2 3.43Å; R350-E384 IonicContact NH1-OE2 2.59Å; R350-E384 PolarHBondContact NH1-OE2 3.11Å; R350-E384 IonicContact NH2-OE2 3.59Å
351	F	98.6	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	128.1	178.6	-160.6	-66.1	0	0	0	109.5	F36 F46 V79 I119 L210 F261 V300 L301 Y303 T353 E384 S385 W386 T387	F36-F351 HydrophobicContact CE1-CD2 4.49Å; F36-F351 HydrophobicContact CE2-CD2 4.02Å; F36-F351 HydrophobicContact CZ-CB 4.4Å; F36-F351 AromaticContact CZ-CD2 3.7Å; F36-F351 HydrophobicContact CZ-CD2 3.7Å; F46-F351 HydrophobicContact CB-CE2 3.65Å; F46-F351 HydrophobicContact CB-CZ 3.92Å; F46-F351 HydrophobicContact CD2-CE2 4.08Å; F46-F351 HydrophobicContact CG-CE2 4.19Å; V79-F351 HydrophobicContact CG1-CZ 4.1Å; V79-F351 HydrophobicContact CG2-CZ 4.48Å; I119-F351 HydrophobicContact CD1-CD1 4.41Å; I119-F351 HydrophobicContact CD1-CD2 4.38Å; I119-F351 HydrophobicContact CD1-CE1 4Å; I119-F351 HydrophobicContact CD1-CE2 3.93Å; I119-F351 HydrophobicContact CD1-CZ 3.76Å; L210-F351 HydrophobicContact CD2-CE2 4.25Å; F261-F351 HydrophobicContact CD1-CB 4.29Å; F261-F351 HydrophobicContact CE1-CB 3.65Å; F261-F351 HydrophobicContact CE1-CD1 4.38Å; F261-F351 AromaticContact CE1-CD2 3.72Å; F261-F351 HydrophobicContact CE1-CD2 3.72Å; F261-F351 HydrophobicContact CE1-CE2 4.44Å; F261-F351 AromaticContact CE1-CG 3.69Å; F261-F351 HydrophobicContact CE1-CG 3.69Å; F261-F351 HydrophobicContact CZ-CD2 4.06Å; F261-F351 HydrophobicContact CZ-CG 4.47Å; V300-F351 HydrophobicContact CG1-CB 3.63Å; L301-F351 PolarHBondContact O-N 3.22Å; Y303-F351 WeakPolarHBondContact CD1-O 3.41Å; Y303-F351 VanDerWaalsContact CE1-C 3.5Å; Y303-F351 WeakPolarHBondContact CE1-O 3.45Å; Y303-F351 PolarHBondContact N-O 3.29Å; Y303-F351 VanDerWaalsContact N-O 3.11Å; F351-T353 HydrophobicContact CB-CG2 4.38Å; F351-T353 HydrophobicContact CD1-CG2 3.63Å; F351-T353 HydrophobicContact CE1-CG2 4.28Å; F351-T353 HydrophobicContact CG-CG2 4.29Å; F351-T353 PolarHBondContact O-N 2.8Å; F351-T353 VanDerWaalsContact O-N 3.12Å; F351-E384 VanDerWaalsContact CA-OE1 3.23Å; F351-E384 WeakPolarHBondContact CA-OE1 3.3Å; F351-E384 PolarHBondContact N-OE1 3.45Å; F351-E384 VanDerWaalsContact N-OE1 3.15Å; F351-S385 VanDerWaalsContact CD2-CB 3.48Å; F351-S385 VanDerWaalsContact CE2-CB 3.42Å; F351-W386 VanDerWaalsContact CE1-C 3.5Å; F351-T387 HydrophobicContact CE1-CG2 3.94Å; F351-T387 HydrophobicContact CZ-CG2 4.12Å
352	L	98.4	Very high	90.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	86.1	172.5	176.9	61.2	0	0	0	109.6	Y303 E354 F355 V375 E384 S385 W386 T387	Y303-L352 HydrophobicContact CD2-CD1 3.96Å; Y303-L352 HydrophobicContact CE1-CB 4.25Å; Y303-L352 HydrophobicContact CE2-CB 4.2Å; Y303-L352 HydrophobicContact CE2-CD1 3.61Å; Y303-L352 HydrophobicContact CE2-CG 4.45Å; Y303-L352 CarbonylContact O-C 3.57Å; Y303-L352 WeakPolarHBondContact O-CA 3.46Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-E354 VanDerWaalsContact CD1-O 3.28Å; L352-E354 WeakPolarHBondContact CD1-O 3.43Å; L352-E354 PolarHBondContact O-N 3.4Å; L352-F355 HydrophobicContact CD1-CB 4.31Å; L352-F355 HydrophobicContact CD2-CB 4.09Å; L352-F355 HydrophobicContact CD2-CD1 3.74Å; L352-F355 HydrophobicContact CD2-CE1 4.43Å; L352-F355 HydrophobicContact CD2-CG 3.98Å; L352-F355 HydrophobicContact CG-CB 4.32Å; L352-F355 HydrophobicContact CG-CD1 3.97Å; L352-F355 HydrophobicContact CG-CG 4.45Å; L352-V375 HydrophobicContact CD2-CG1 3.75Å; L352-E384 HydrophobicContact CB-CG 4.18Å; L352-S385 PolarHBondContact N-O 2.96Å; L352-W386 HydrophobicContact CB-CB 3.99Å; L352-W386 HydrophobicContact CD2-CB 4.16Å; L352-W386 HydrophobicContact CG-CB 4.26Å; L352-W386 CarbonylContact O-C 3.59Å; L352-W386 WeakPolarHBondContact O-CA 3.44Å; L352-T387 PolarHBondContact O-N 3.02Å
353	T	98.3	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-21.4	-171.2	40.3	0	0	0	0	113.6	N50 F261 S302 Y303 H304 F351 T387	N50-T353 PolarHBondContact ND2-O 2.86Å; F261-T353 HydrophobicContact CD1-CG2 4.02Å; F261-T353 HydrophobicContact CE1-CG2 4.31Å; S302-T353 WeakPolarHBondContact OG-CB 3.41Å; S302-T353 WeakPolarHBondContact OG-CG2 3.24Å; S302-T353 PolarHBondContact OG-OG1 3.18Å; Y303-T353 PolarHBondContact N-OG1 3.38Å; Y303-T353 PolarHBondContact O-N 3.03Å; Y303-T353 PolarHBondContact O-OG1 3.2Å; H304-T353 PolarHBondContact CD2-OG1 2.81Å; H304-T353 PolarHBondContact NE2-OG1 3.06Å; F351-T353 HydrophobicContact CB-CG2 4.38Å; F351-T353 HydrophobicContact CD1-CG2 3.63Å; F351-T353 HydrophobicContact CE1-CG2 4.28Å; F351-T353 HydrophobicContact CG-CG2 4.29Å; F351-T353 PolarHBondContact O-N 2.8Å; F351-T353 VanDerWaalsContact O-N 3.12Å; T353-T387 CarbonylContact C-O 3.47Å; T353-T387 VanDerWaalsContact CA-OG1 3.26Å; T353-T387 WeakPolarHBondContact CA-OG1 3.49Å; T353-T387 VanDerWaalsContact O-O 3.06Å; T353-T387 PolarHBondContact O-OG1 2.83Å
354	E	96.6	Very high	89.2	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.2	169.2	-61.1	-174.6	-167.7	0	0	112.3	R81 H123 N216 H304 Y305 Y306 L352 T387 W389	R81-E354 IonicContact CZ-OE1 3.63Å; R81-E354 IonicContact NH1-OE1 3.7Å; R81-E354 PolarHBondContact NH1-OE1 3.16Å; R81-E354 IonicContact NH2-OE1 2.86Å; H123-E354 IonicContact CE1-OE1 3.84Å; H123-E354 PolarHBondContact CE1-OE1 3.45Å; N216-E354 PolarHBondContact OD1-OE1 3.37Å; H304-E354 CarbonylContact C-O 3.52Å; H304-E354 WeakPolarHBondContact CA-O 3.39Å; H304-E354 HydrophobicContact CB-CB 4.06Å; H304-E354 VanDerWaalsContact CD2-CB 3.48Å; H304-E354 WeakPolarHBondContact CD2-CB 3.17Å; H304-E354 PolarHBondContact CD2-N 3.3Å; H304-E354 VanDerWaalsContact CD2-N 3.34Å; H304-E354 IonicContact CE1-OE1 2.86Å; H304-E354 PolarHBondContact CE1-OE1 3.44Å; H304-E354 IonicContact CE1-OE2 2.76Å; H304-E354 IonicContact ND1-OE2 2.96Å; H304-E354 WeakPolarHBondContact NE2-CG 3.14Å; H304-E354 IonicContact NE2-OE1 3.81Å; Y305-E354 PolarHBondContact N-O 3Å; Y306-E354 HydrophobicContact CE2-CB 4.14Å; Y306-E354 PolarHBondContact OH-OE2 3.1Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-E354 VanDerWaalsContact CD1-O 3.28Å; L352-E354 WeakPolarHBondContact CD1-O 3.43Å; L352-E354 PolarHBondContact O-N 3.4Å; E354-T387 WeakPolarHBondContact CA-O 3.44Å; E354-W389 HydrophobicContact CG-CE3 4.05Å
355	F	93.8	Very high	88.8	Confident	1 Å²	1	31 Å²	31	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.2	161.2	72.5	-72.2	0	0	0	106.3	Y305 L352 V375 L376 W386 Y388 W389	Y305-F355 VanDerWaalsContact O-CA 3.3Å; Y305-F355 WeakPolarHBondContact O-CA 3.27Å; Y305-F355 WeakPolarHBondContact O-CB 3.28Å; L352-F355 HydrophobicContact CD1-CB 4.31Å; L352-F355 HydrophobicContact CD2-CB 4.09Å; L352-F355 HydrophobicContact CD2-CD1 3.74Å; L352-F355 HydrophobicContact CD2-CE1 4.43Å; L352-F355 HydrophobicContact CD2-CG 3.98Å; L352-F355 HydrophobicContact CG-CB 4.32Å; L352-F355 HydrophobicContact CG-CD1 3.97Å; L352-F355 HydrophobicContact CG-CG 4.45Å; F355-V375 HydrophobicContact CB-CG1 4.06Å; F355-V375 HydrophobicContact CD1-CG1 4.47Å; F355-V375 HydrophobicContact CD2-CB 3.92Å; F355-V375 HydrophobicContact CD2-CG1 3.37Å; F355-V375 HydrophobicContact CD2-CG2 4.43Å; F355-V375 HydrophobicContact CE2-CB 4.31Å; F355-V375 HydrophobicContact CE2-CG1 3.89Å; F355-V375 HydrophobicContact CG-CG1 3.71Å; F355-L376 HydrophobicContact CE2-CD2 4.1Å; F355-L376 HydrophobicContact CE2-CG 4.43Å; F355-L376 HydrophobicContact CZ-CD2 3.79Å; F355-W386 HydrophobicContact CD1-CB 4.34Å; F355-W386 HydrophobicContact CE1-CB 3.82Å; F355-W386 AromaticContact CE1-CD2 3.91Å; F355-W386 HydrophobicContact CE1-CD2 3.91Å; F355-W386 AromaticContact CE1-CE3 3.63Å; F355-W386 HydrophobicContact CE1-CE3 3.63Å; F355-W386 HydrophobicContact CE1-CG 4.02Å; F355-W386 HydrophobicContact CE1-CZ3 4.45Å; F355-W386 HydrophobicContact CZ-CD2 4.08Å; F355-W386 AromaticContact CZ-CE3 3.83Å; F355-W386 HydrophobicContact CZ-CE3 3.83Å; F355-W386 HydrophobicContact CZ-CG 4.47Å; F355-W386 HydrophobicContact CZ-CZ3 4.29Å; F355-Y388 HydrophobicContact CD2-CD2 4.24Å; F355-Y388 HydrophobicContact CE1-CD2 4.45Å; F355-Y388 AromaticContact CE2-CD2 3.82Å; F355-Y388 HydrophobicContact CE2-CD2 3.82Å; F355-Y388 AromaticContact CZ-CD2 3.93Å; F355-Y388 HydrophobicContact CZ-CD2 3.93Å; F355-Y388 HydrophobicContact CZ-CG 4.41Å; F355-Y388 CarbonylContact O-C 3.51Å; F355-Y388 WeakPolarHBondContact O-CA 3.06Å; F355-Y388 WeakPolarHBondContact O-CD2 3.36Å; F355-W389 PolarHBondContact O-N 3.2Å
356	G	86.3	Confident	88.5	Confident	10 Å²	10	26.9 Å²	26.9	10%	0.103	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-144.7	175.7	0	0	0	0	0	112.6	C358	G356-C358 PolarHBondContact O-N 3.49Å
357	L	74.9	Confident	88.1	Confident	97 Å²	97	26.6 Å²	26.6	51%	0.508	18%	0.176	S	C	.	.	S	Bend	trans	57.3	32.2	-163.7	-54.3	173.4	0	0	0	111.8	Y306 Q315 N368	Y306-L357 HydrophobicContact CD1-CD1 4.36Å; Y306-L357 HydrophobicContact CE1-CD1 4.34Å; Y306-L357 HydrophobicContact CE1-CG 4.27Å; Q315-L357 VanDerWaalsContact NE2-C 3.3Å; Q315-L357 PolarHBondContact NE2-O 3.01Å; L357-N368 PolarHBondContact O-OD1 3.18Å
358	C	79.1	Confident	87.5	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.027	17%	0.168	C	C	.	.			trans	-143.5	160.9	179.6	65.4	0	0	0	0	108.6	G356 N368 E371 C372 Y388	G356-C358 PolarHBondContact O-N 3.49Å; C358-N368 WeakPolarHBondContact CA-OD1 3.49Å; C358-N368 VanDerWaalsContact CB-O 3.32Å; C358-N368 WeakPolarHBondContact CB-O 3.46Å; C358-E371 HydrophobicContact CB-CB 3.99Å; C358-E371 HydrophobicContact CB-CG 4.09Å; C358-C372 HydrophobicContact CB-CB 3.8Å; C358-C372 WeakPolarHBondContact CB-SG 3.37Å; C358-C372 PolarHBondContact O-SG 3.09Å; C358-C372 WeakPolarHBondContact SG-CA 3.39Å; C358-C372 WeakPolarHBondContact SG-CB 3.09Å; C358-C372 PolarHBondContact SG-N 2.85Å; C358-C372 CovalentContact SG-SG 2.04Å; C358-C372 PolarHBondContact SG-SG 3.07Å; C358-Y388 WeakPolarHBondContact O-CE2 3.49Å; C358-Y388 PolarHBondContact O-OH 2.87Å
359	G	74.9	Confident	87	Confident	4 Å²	4	25.9 Å²	25.9	4%	0.041	16%	0.163	C	C	.	.			trans	-179.6	157.6	-179.7	0	0	0	0	0	110.8	D361 N368 T369 C372 S403	G359-D361 PolarHBondContact O-N 3.06Å; G359-N368 PolarHBondContact N-O 3.49Å; G359-N368 VanDerWaalsContact N-O 3.15Å; G359-N368 CarbonylContact O-C 3.57Å; G359-N368 WeakPolarHBondContact O-CB 3.41Å; G359-T369 PolarHBondContact O-N 2.91Å; G359-C372 PolarHBondContact N-SG 3.12Å; G359-S403 CarbonylContact C-O 3.46Å
360	D	74.1	Confident	86.6	Confident	31 Å²	31	27.2 Å²	27.2	17%	0.166	17%	0.17	C	C	.	.			trans	-73.9	100.8	177.9	-177.5	6.3	0	0	0	110.1	G362 T369 S403 H407	D360-G362 PolarHBondContact O-N 2.72Å; D360-G362 WeakPolarHBondContact OD1-CA 3.37Å; D360-G362 PolarHBondContact OD1-N 3.34Å; D360-T369 PolarHBondContact OD1-OG1 3.33Å; D360-S403 PolarHBondContact N-O 3.31Å; D360-S403 WeakPolarHBondContact O-CA 3.45Å; D360-H407 WeakPolarHBondContact OD2-CB 3.35Å
361	D	75.4	Confident	86.2	Confident	48 Å²	48	25.8 Å²	25.8	26%	0.257	17%	0.165	S	C	.	.			trans	-86.1	10.4	177.3	68.3	-4.4	0	0	0	113.4	N316 G359 N363 S366 T369	N316-D361 WeakPolarHBondContact CA-OD2 3.47Å; G359-D361 PolarHBondContact O-N 3.06Å; D361-N363 PolarHBondContact O-N 3.23Å; D361-N363 WeakPolarHBondContact OD1-CA 3.41Å; D361-N363 WeakPolarHBondContact OD1-CB 3.17Å; D361-N363 PolarHBondContact OD1-N 3.33Å; D361-S366 WeakPolarHBondContact OD1-CB 3.33Å; D361-S366 PolarHBondContact OD1-OG 3.37Å; D361-S366 WeakPolarHBondContact OD2-CB 3.4Å; D361-S366 PolarHBondContact OD2-OG 3.31Å; D361-S366 VanDerWaalsContact OD2-OG 3.04Å; D361-T369 PolarHBondContact N-OG1 3.2Å; D361-T369 PolarHBondContact OD1-OG1 3.01Å
362	G	78.4	Confident	85.7	Confident	63 Å²	63	25.9 Å²	25.9	65%	0.649	17%	0.165	S	C	*	.	S	Bend	trans	78.2	-5.7	-175.5	0	0	0	0	0	113.8	D360	D360-G362 PolarHBondContact O-N 2.72Å; D360-G362 WeakPolarHBondContact OD1-CA 3.37Å; D360-G362 PolarHBondContact OD1-N 3.34Å
363	N	84.2	Confident	85.3	Confident	56 Å²	56	28 Å²	28	30%	0.299	18%	0.177	S	C	.	.			trans	-100.2	108.8	172.6	177.9	3.7	0	0	0	109.5	D361 S365 S366 T369	D361-N363 PolarHBondContact O-N 3.23Å; D361-N363 WeakPolarHBondContact OD1-CA 3.41Å; D361-N363 WeakPolarHBondContact OD1-CB 3.17Å; D361-N363 PolarHBondContact OD1-N 3.33Å; N363-S365 PolarHBondContact O-N 3.2Å; N363-S365 PolarHBondContact OD1-N 2.91Å; N363-S366 PolarHBondContact O-N 3.24Å; N363-S366 VanDerWaalsContact O-N 3.08Å; N363-S366 PolarHBondContact O-OG 2.97Å; N363-T369 VanDerWaalsContact O-CB 3.28Å; N363-T369 WeakPolarHBondContact O-CB 3.45Å; N363-T369 PolarHBondContact O-OG1 2.97Å; N363-T369 VanDerWaalsContact O-OG1 3.07Å
364	P	86.1	Confident	85.1	Confident	92 Å²	92	28.6 Å²	28.6	60%	0.597	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-7.3	-177.2	28.7	-36.2	0	0	0	113.9	L370	P364-L370 WeakPolarHBondContact O-CD2 3.39Å
365	S	87.1	Confident	84.9	Confident	57 Å²	57	28.5 Å²	28.5	40%	0.399	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	0.2	178.4	-55.4	0	0	0	0	113.5	T318 M319 N363	T318-S365 WeakPolarHBondContact CA-O 3.44Å; M319-S365 PolarHBondContact N-O 3.08Å; N363-S365 PolarHBondContact O-N 3.2Å; N363-S365 PolarHBondContact OD1-N 2.91Å
366	S	88.4	Confident	84.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-71	155.7	179.8	66.9	0	0	0	0	111.9	S317 D361 N363 N368 T369 L370	S317-S366 CarbonylContact O-C 3.53Å; S317-S366 VanDerWaalsContact O-CA 3.24Å; S317-S366 WeakPolarHBondContact O-CA 3.16Å; D361-S366 WeakPolarHBondContact OD1-CB 3.33Å; D361-S366 PolarHBondContact OD1-OG 3.37Å; D361-S366 WeakPolarHBondContact OD2-CB 3.4Å; D361-S366 PolarHBondContact OD2-OG 3.31Å; D361-S366 VanDerWaalsContact OD2-OG 3.04Å; N363-S366 PolarHBondContact O-N 3.24Å; N363-S366 VanDerWaalsContact O-N 3.08Å; N363-S366 PolarHBondContact O-OG 2.97Å; S366-N368 PolarHBondContact O-N 3.14Å; S366-T369 PolarHBondContact O-N 3.15Å; S366-T369 WeakPolarHBondContact OG-CB 3.49Å; S366-T369 PolarHBondContact OG-N 2.9Å; S366-T369 PolarHBondContact OG-OG1 3.12Å; S366-L370 VanDerWaalsContact O-CB 3.32Å; S366-L370 WeakPolarHBondContact O-CB 3.16Å; S366-L370 WeakPolarHBondContact O-CG 2.97Å; S366-L370 PolarHBondContact O-N 3.37Å
367	V	85.7	Confident	85.3	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-54	-45.8	170.7	169.5	0	0	0	0	110.1	L310 D313 Q315 S317 M319 E371	L310-V367 HydrophobicContact CB-CG1 4.23Å; L310-V367 HydrophobicContact CD1-CG1 4.07Å; L310-V367 HydrophobicContact CD2-CG1 4.1Å; L310-V367 HydrophobicContact CG-CG1 4.35Å; D313-V367 HydrophobicContact CB-CG1 4.48Å; D313-V367 HydrophobicContact CB-CG2 4.19Å; Q315-V367 PolarHBondContact O-N 2.63Å; S317-V367 PolarHBondContact O-N 2.82Å; M319-V367 HydrophobicContact CB-CG2 3.79Å; M319-V367 HydrophobicContact CE-CB 4.28Å; M319-V367 HydrophobicContact CE-CG1 4.09Å; M319-V367 HydrophobicContact CE-CG2 4.42Å; M319-V367 HydrophobicContact CG-CG2 4.05Å; V367-E371 VanDerWaalsContact O-CB 3.29Å; V367-E371 WeakPolarHBondContact O-CB 3.15Å; V367-E371 PolarHBondContact O-N 2.69Å
368	N	83.9	Confident	86.2	Confident	18 Å²	18	31 Å²	31	10%	0.096	19%	0.192	C	C	.	.	H	α-helix	trans	-55.5	-54.6	178.7	-108.6	17.1	0	0	0	113.4	Q315 L357 C358 G359 S366 C372	Q315-N368 HydrophobicContact CB-CB 4.49Å; Q315-N368 VanDerWaalsContact CB-CG 3.49Å; Q315-N368 WeakPolarHBondContact CB-OD1 3.46Å; Q315-N368 WeakPolarHBondContact CG-OD1 3.13Å; Q315-N368 VanDerWaalsContact O-CB 3.26Å; Q315-N368 WeakPolarHBondContact O-CB 3.3Å; Q315-N368 PolarHBondContact O-N 3.1Å; L357-N368 PolarHBondContact O-OD1 3.18Å; C358-N368 WeakPolarHBondContact CA-OD1 3.49Å; C358-N368 VanDerWaalsContact CB-O 3.32Å; C358-N368 WeakPolarHBondContact CB-O 3.46Å; G359-N368 PolarHBondContact N-O 3.49Å; G359-N368 VanDerWaalsContact N-O 3.15Å; G359-N368 CarbonylContact O-C 3.57Å; G359-N368 WeakPolarHBondContact O-CB 3.41Å; S366-N368 PolarHBondContact O-N 3.14Å; N368-C372 PolarHBondContact O-N 3.03Å
369	T	86	Confident	87	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-72.3	-41.1	-175.4	-58.5	0	0	0	0	111.4	G359 D360 D361 N363 S366 N373	G359-T369 PolarHBondContact O-N 2.91Å; D360-T369 PolarHBondContact OD1-OG1 3.33Å; D361-T369 PolarHBondContact N-OG1 3.2Å; D361-T369 PolarHBondContact OD1-OG1 3.01Å; N363-T369 VanDerWaalsContact O-CB 3.28Å; N363-T369 WeakPolarHBondContact O-CB 3.45Å; N363-T369 PolarHBondContact O-OG1 2.97Å; N363-T369 VanDerWaalsContact O-OG1 3.07Å; S366-T369 PolarHBondContact O-N 3.15Å; S366-T369 WeakPolarHBondContact OG-CB 3.49Å; S366-T369 PolarHBondContact OG-N 2.9Å; S366-T369 PolarHBondContact OG-OG1 3.12Å; T369-N373 WeakPolarHBondContact O-CB 3.11Å; T369-N373 PolarHBondContact O-N 3.4Å; T369-N373 VanDerWaalsContact O-N 3.11Å; T369-N373 PolarHBondContact O-ND2 2.99Å
370	L	90.3	Very high	87.9	Confident	30 Å²	30	34.2 Å²	34.2	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-45.2	-177.3	-72.2	172.1	0	0	0	112.7	M319 K324 P364 S366 N373 A374	M319-L370 HydrophobicContact CB-CD1 3.75Å; M319-L370 HydrophobicContact CE-CB 3.97Å; M319-L370 HydrophobicContact SD-CB 4.33Å; M319-L370 HydrophobicContact SD-CD1 4.43Å; K324-L370 HydrophobicContact CD-CD1 4.49Å; P364-L370 WeakPolarHBondContact O-CD2 3.39Å; S366-L370 VanDerWaalsContact O-CB 3.32Å; S366-L370 WeakPolarHBondContact O-CB 3.16Å; S366-L370 WeakPolarHBondContact O-CG 2.97Å; S366-L370 PolarHBondContact O-N 3.37Å; L370-N373 PolarHBondContact O-N 3.03Å; L370-A374 WeakPolarHBondContact O-CB 3.32Å; L370-A374 PolarHBondContact O-N 2.88Å
371	E	90	Very high	89	Confident	11 Å²	11	39.4 Å²	39.4	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-46.7	-179.7	178.3	69.7	175.4	0	0	111.1	Y305 C307 L310 M319 C358 V367 N373 A374 V375	Y305-E371 VanDerWaalsContact CE1-OE1 3.24Å; Y305-E371 WeakPolarHBondContact CE1-OE1 3.14Å; C307-E371 VanDerWaalsContact CB-OE1 3.23Å; C307-E371 WeakPolarHBondContact CB-OE1 3.32Å; L310-E371 HydrophobicContact CD1-CB 3.93Å; L310-E371 HydrophobicContact CD1-CG 3.87Å; L310-E371 VanDerWaalsContact CD1-OE2 3.28Å; L310-E371 WeakPolarHBondContact CD1-OE2 3.14Å; M319-E371 HydrophobicContact CE-CB 4.14Å; C358-E371 HydrophobicContact CB-CB 3.99Å; C358-E371 HydrophobicContact CB-CG 4.09Å; V367-E371 VanDerWaalsContact O-CB 3.29Å; V367-E371 WeakPolarHBondContact O-CB 3.15Å; V367-E371 PolarHBondContact O-N 2.69Å; E371-N373 PolarHBondContact O-N 2.77Å; E371-A374 PolarHBondContact O-N 2.94Å; E371-V375 WeakPolarHBondContact O-CG2 3.46Å; E371-V375 PolarHBondContact O-N 2.94Å
372	C	88.5	Confident	89.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-43.6	-179.8	-98.7	0	0	0	0	112	C358 G359 N368 A374 V375 L376 F406	C358-C372 HydrophobicContact CB-CB 3.8Å; C358-C372 WeakPolarHBondContact CB-SG 3.37Å; C358-C372 PolarHBondContact O-SG 3.09Å; C358-C372 WeakPolarHBondContact SG-CA 3.39Å; C358-C372 WeakPolarHBondContact SG-CB 3.09Å; C358-C372 PolarHBondContact SG-N 2.85Å; C358-C372 CovalentContact SG-SG 2.04Å; C358-C372 PolarHBondContact SG-SG 3.07Å; G359-C372 PolarHBondContact N-SG 3.12Å; N368-C372 PolarHBondContact O-N 3.03Å; C372-A374 VanDerWaalsContact C-N 3.33Å; C372-A374 PolarHBondContact O-N 3.4Å; C372-V375 PolarHBondContact O-N 3.2Å; C372-L376 WeakPolarHBondContact O-CB 3.42Å; C372-L376 WeakPolarHBondContact O-CG 3.25Å; C372-L376 PolarHBondContact O-N 3.36Å; C372-F406 HydrophobicContact CB-CE1 4.5Å
373	N	90.4	Very high	90.7	Very high	46 Å²	46	41.2 Å²	41.2	25%	0.246	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-43.4	175.1	-72	-19.5	0	0	0	111.3	T369 L370 E371 V375 L376 D377	T369-N373 WeakPolarHBondContact O-CB 3.11Å; T369-N373 PolarHBondContact O-N 3.4Å; T369-N373 VanDerWaalsContact O-N 3.11Å; T369-N373 PolarHBondContact O-ND2 2.99Å; L370-N373 PolarHBondContact O-N 3.03Å; E371-N373 PolarHBondContact O-N 2.77Å; N373-V375 PolarHBondContact O-N 2.89Å; N373-L376 PolarHBondContact O-N 2.92Å; N373-D377 VanDerWaalsContact O-CB 3.24Å; N373-D377 WeakPolarHBondContact O-CB 3.39Å; N373-D377 PolarHBondContact O-N 2.9Å
374	A	92.5	Very high	91.3	Very high	14 Å²	14	38.7 Å²	38.7	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-45.6	178.6	0	0	0	0	0	112.3	D328 L332 L370 E371 C372 E378	D328-A374 HydrophobicContact CB-CB 4.06Å; L332-A374 HydrophobicContact CD2-CB 4.25Å; L332-A374 VanDerWaalsContact CD2-O 3.31Å; L332-A374 WeakPolarHBondContact CD2-O 3.31Å; L370-A374 WeakPolarHBondContact O-CB 3.32Å; L370-A374 PolarHBondContact O-N 2.88Å; E371-A374 PolarHBondContact O-N 2.94Å; C372-A374 VanDerWaalsContact C-N 3.33Å; C372-A374 PolarHBondContact O-N 3.4Å; A374-E378 WeakPolarHBondContact O-CB 3.22Å; A374-E378 PolarHBondContact O-N 3.26Å
375	V	93.7	Very high	91.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-44.1	178.6	179	0	0	0	0	111.4	Y305 L332 L352 F355 E371 C372 N373 A379	Y305-V375 HydrophobicContact CD1-CG2 3.61Å; Y305-V375 HydrophobicContact CE1-CG2 3.52Å; L332-V375 HydrophobicContact CD1-CG2 4.43Å; L332-V375 HydrophobicContact CD2-CG2 4.18Å; L352-V375 HydrophobicContact CD2-CG1 3.75Å; F355-V375 HydrophobicContact CB-CG1 4.06Å; F355-V375 HydrophobicContact CD1-CG1 4.47Å; F355-V375 HydrophobicContact CD2-CB 3.92Å; F355-V375 HydrophobicContact CD2-CG1 3.37Å; F355-V375 HydrophobicContact CD2-CG2 4.43Å; F355-V375 HydrophobicContact CE2-CB 4.31Å; F355-V375 HydrophobicContact CE2-CG1 3.89Å; F355-V375 HydrophobicContact CG-CG1 3.71Å; E371-V375 WeakPolarHBondContact O-CG2 3.46Å; E371-V375 PolarHBondContact O-N 2.94Å; C372-V375 PolarHBondContact O-N 3.2Å; N373-V375 PolarHBondContact O-N 2.89Å; V375-A379 VanDerWaalsContact O-CB 3.29Å; V375-A379 WeakPolarHBondContact O-CB 3.13Å; V375-A379 PolarHBondContact O-N 3.24Å
376	L	93.2	Very high	92.3	Very high	27 Å²	27	32.4 Å²	32.4	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-42.3	179.2	-67.5	175.2	0	0	0	112.2	F355 C372 N373 A379 D380 W386 F406	F355-L376 HydrophobicContact CE2-CD2 4.1Å; F355-L376 HydrophobicContact CE2-CG 4.43Å; F355-L376 HydrophobicContact CZ-CD2 3.79Å; C372-L376 WeakPolarHBondContact O-CB 3.42Å; C372-L376 WeakPolarHBondContact O-CG 3.25Å; C372-L376 PolarHBondContact O-N 3.36Å; N373-L376 PolarHBondContact O-N 2.92Å; L376-A379 PolarHBondContact O-N 2.87Å; L376-D380 WeakPolarHBondContact O-CB 3.13Å; L376-D380 PolarHBondContact O-N 3.43Å; L376-W386 HydrophobicContact CD2-CD2 4.22Å; L376-W386 HydrophobicContact CD2-CH2 4.15Å; L376-W386 HydrophobicContact CD2-CZ2 3.58Å; L376-F406 HydrophobicContact CD1-CD1 3.72Å; L376-F406 HydrophobicContact CD1-CE1 4.15Å; L376-F406 HydrophobicContact CD1-CG 4.39Å
377	D	94.3	Very high	92.8	Very high	111 Å²	111	32.4 Å²	32.4	59%	0.594	16%	0.161	S	C	*	.	H	α-helix	trans	-64.1	-43.2	177.4	-75.2	-17.8	0	0	0	111.5	N373 D380 K381	N373-D377 VanDerWaalsContact O-CB 3.24Å; N373-D377 WeakPolarHBondContact O-CB 3.39Å; N373-D377 PolarHBondContact O-N 2.9Å; D377-D380 PolarHBondContact O-N 2.88Å; D377-K381 WeakPolarHBondContact O-CB 3.43Å; D377-K381 PolarHBondContact O-N 3.37Å
378	E	94.9	Very high	93.2	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.103	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-36	177.1	-165.4	70.2	-166.1	0	0	110.9	L332 I336 A374 K381 H382	L332-E378 HydrophobicContact CD1-CB 4.48Å; L332-E378 HydrophobicContact CD2-CB 3.74Å; L332-E378 HydrophobicContact CD2-CG 4.31Å; L332-E378 HydrophobicContact CG-CB 4.04Å; L332-E378 HydrophobicContact CG-CG 4.07Å; I336-E378 HydrophobicContact CG1-CG 3.97Å; A374-E378 WeakPolarHBondContact O-CB 3.22Å; A374-E378 PolarHBondContact O-N 3.26Å; E378-K381 VanDerWaalsContact CD-NZ 3.32Å; E378-K381 IonicContact OE1-NZ 2.93Å; E378-K381 PolarHBondContact OE1-NZ 3.11Å; E378-K381 WeakPolarHBondContact OE2-CD 3.44Å; E378-K381 IonicContact OE2-NZ 2.84Å; E378-K381 PolarHBondContact OE2-NZ 2.57Å; E378-H382 PolarHBondContact O-CD2 2.86Å; E378-H382 PolarHBondContact O-N 3Å; E378-H382 IonicContact OE1-CD2 3.37Å; E378-H382 PolarHBondContact OE1-CD2 3.14Å; E378-H382 IonicContact OE1-CE1 3.97Å; E378-H382 IonicContact OE1-NE2 2.76Å; E378-H382 PolarHBondContact OE1-NE2 2.84Å
379	A	95	Very high	93.6	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-47.5	172.2	0	0	0	0	0	111.3	V375 L376 K381 H382 F383 E384	V375-A379 VanDerWaalsContact O-CB 3.29Å; V375-A379 WeakPolarHBondContact O-CB 3.13Å; V375-A379 PolarHBondContact O-N 3.24Å; L376-A379 PolarHBondContact O-N 2.87Å; A379-K381 PolarHBondContact O-N 3.42Å; A379-H382 CarbonylContact O-C 3.47Å; A379-H382 PolarHBondContact O-N 3.4Å; A379-H382 VanDerWaalsContact O-N 3.16Å; A379-F383 PolarHBondContact O-N 3.18Å; A379-E384 HydrophobicContact CB-CB 4.02Å; A379-E384 PolarHBondContact O-N 3.01Å
380	D	94.5	Very high	93.2	Very high	74 Å²	74	36.1 Å²	36.1	40%	0.396	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-41.6	-179.5	-81.2	7.7	0	0	0	112.5	R47 L376 D377 H382 F383	R47-D380 IonicContact CZ-OD1 3.77Å; R47-D380 IonicContact CZ-OD2 3.33Å; R47-D380 IonicContact NH2-OD1 2.79Å; R47-D380 PolarHBondContact NH2-OD1 3.19Å; R47-D380 IonicContact NH2-OD2 3.51Å; R47-D380 PolarHBondContact NH2-OD2 3.03Å; L376-D380 WeakPolarHBondContact O-CB 3.13Å; L376-D380 PolarHBondContact O-N 3.43Å; D377-D380 PolarHBondContact O-N 2.88Å; D380-H382 PolarHBondContact O-N 3.26Å; D380-H382 VanDerWaalsContact O-N 3.16Å; D380-F383 PolarHBondContact O-N 3.3Å; D380-F383 VanDerWaalsContact O-N 3.14Å
381	K	96	Very high	92.6	Very high	140 Å²	140	34.8 Å²	34.8	61%	0.609	17%	0.17	S	C	*	.	H	α-helix	trans	-55.9	-31	174.3	176.2	-175.4	169.6	-162	0	113.2	D377 E378 A379	D377-K381 WeakPolarHBondContact O-CB 3.43Å; D377-K381 PolarHBondContact O-N 3.37Å; E378-K381 VanDerWaalsContact CD-NZ 3.32Å; E378-K381 IonicContact OE1-NZ 2.93Å; E378-K381 PolarHBondContact OE1-NZ 3.11Å; E378-K381 WeakPolarHBondContact OE2-CD 3.44Å; E378-K381 IonicContact OE2-NZ 2.84Å; E378-K381 PolarHBondContact OE2-NZ 2.57Å; A379-K381 PolarHBondContact O-N 3.42Å
382	H	95.1	Very high	92.1	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.25	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	8.9	-179	-67.2	-79.3	0	0	0	113.9	I336 R350 E378 A379 D380 E384	I336-H382 HydrophobicContact CG2-CB 4.27Å; I336-H382 VanDerWaalsContact CG2-CD2 3.45Å; I336-H382 WeakPolarHBondContact CG2-CD2 3.35Å; R350-H382 PolarHBondContact NH2-O 2.53Å; E378-H382 PolarHBondContact O-CD2 2.86Å; E378-H382 PolarHBondContact O-N 3Å; E378-H382 IonicContact OE1-CD2 3.37Å; E378-H382 PolarHBondContact OE1-CD2 3.14Å; E378-H382 IonicContact OE1-CE1 3.97Å; E378-H382 IonicContact OE1-NE2 2.76Å; E378-H382 PolarHBondContact OE1-NE2 2.84Å; A379-H382 CarbonylContact O-C 3.47Å; A379-H382 PolarHBondContact O-N 3.4Å; A379-H382 VanDerWaalsContact O-N 3.16Å; D380-H382 PolarHBondContact O-N 3.26Å; D380-H382 VanDerWaalsContact O-N 3.16Å; H382-E384 PolarHBondContact O-N 3.26Å
383	F	95.1	Very high	91.7	Very high	96 Å²	96	40 Å²	40	42%	0.421	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	44	-175.2	-153.8	-90.3	0	0	0	112.3	M35 I43 L45 A379 D380	M35-F383 HydrophobicContact CE-CB 4.38Å; M35-F383 HydrophobicContact CE-CD1 3.19Å; M35-F383 HydrophobicContact CE-CE1 3.63Å; M35-F383 HydrophobicContact CE-CG 4.01Å; I43-F383 HydrophobicContact CG2-CE1 3.71Å; I43-F383 HydrophobicContact CG2-CZ 4.24Å; L45-F383 HydrophobicContact CB-CE1 3.84Å; L45-F383 HydrophobicContact CB-CZ 3.9Å; L45-F383 HydrophobicContact CD1-CD1 3.83Å; L45-F383 HydrophobicContact CD1-CE1 3.98Å; L45-F383 HydrophobicContact CD1-CG 4.29Å; L45-F383 HydrophobicContact CD2-CE2 4.35Å; L45-F383 HydrophobicContact CD2-CZ 4.41Å; L45-F383 HydrophobicContact CG-CE1 4.37Å; A379-F383 PolarHBondContact O-N 3.18Å; D380-F383 PolarHBondContact O-N 3.3Å; D380-F383 VanDerWaalsContact O-N 3.14Å
384	E	96	Very high	91.2	Very high	3 Å²	3	39 Å²	39	1%	0.014	18%	0.184	C	C	.	.			trans	-87.7	130	-175.9	-169.1	64.9	-144.4	0	0	111.1	L45 Y303 R350 F351 L352 A379 H382	L45-E384 WeakPolarHBondContact CD1-O 3.46Å; Y303-E384 WeakPolarHBondContact CE1-OE1 3.3Å; Y303-E384 VanDerWaalsContact OH-CD 3.27Å; Y303-E384 VanDerWaalsContact OH-CG 3.3Å; Y303-E384 WeakPolarHBondContact OH-CG 3.23Å; R350-E384 WeakPolarHBondContact CD-OE2 3.5Å; R350-E384 WeakPolarHBondContact CG-OE1 3.38Å; R350-E384 WeakPolarHBondContact CG-OE2 3.38Å; R350-E384 IonicContact CZ-OE2 2.82Å; R350-E384 IonicContact NE-OE2 3.06Å; R350-E384 PolarHBondContact NE-OE2 3.43Å; R350-E384 IonicContact NH1-OE2 2.59Å; R350-E384 PolarHBondContact NH1-OE2 3.11Å; R350-E384 IonicContact NH2-OE2 3.59Å; F351-E384 VanDerWaalsContact CA-OE1 3.23Å; F351-E384 WeakPolarHBondContact CA-OE1 3.3Å; F351-E384 PolarHBondContact N-OE1 3.45Å; F351-E384 VanDerWaalsContact N-OE1 3.15Å; L352-E384 HydrophobicContact CB-CG 4.18Å; A379-E384 HydrophobicContact CB-CB 4.02Å; A379-E384 PolarHBondContact O-N 3.01Å; H382-E384 PolarHBondContact O-N 3.26Å
385	S	98.1	Very high	90.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.021	20%	0.195	C	C	.	.			trans	-78.3	145.1	170.7	-64.7	0	0	0	0	110.6	F46 F351 L352	F46-S385 PolarHBondContact N-OG 2.76Å; F46-S385 CarbonylContact O-C 3.43Å; F46-S385 WeakPolarHBondContact O-CA 3.37Å; F46-S385 WeakPolarHBondContact O-CB 3.5Å; F351-S385 VanDerWaalsContact CD2-CB 3.48Å; F351-S385 VanDerWaalsContact CE2-CB 3.42Å; L352-S385 PolarHBondContact N-O 2.96Å
386	W	97.7	Very high	89.8	Confident	14 Å²	14	50 Å²	50	5%	0.053	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.7	-174.6	55.4	-103.5	0	0	0	114.7	F46 R47 G48 F351 L352 F355 L376	F46-W386 PolarHBondContact O-N 2.61Å; R47-W386 WeakPolarHBondContact CA-O 3.49Å; R47-W386 HydrophobicContact CB-CD2 4.4Å; R47-W386 HydrophobicContact CB-CH2 3.94Å; R47-W386 HydrophobicContact CB-CZ2 3.75Å; R47-W386 HydrophobicContact CB-CZ3 4.34Å; R47-W386 HydrophobicContact CG-CD2 4.34Å; R47-W386 HydrophobicContact CG-CH2 4.4Å; R47-W386 HydrophobicContact CG-CZ2 3.7Å; G48-W386 PolarHBondContact N-O 3.24Å; G48-W386 WeakPolarHBondContact O-CZ3 2.88Å; F351-W386 VanDerWaalsContact CE1-C 3.5Å; L352-W386 HydrophobicContact CB-CB 3.99Å; L352-W386 HydrophobicContact CD2-CB 4.16Å; L352-W386 HydrophobicContact CG-CB 4.26Å; L352-W386 CarbonylContact O-C 3.59Å; L352-W386 WeakPolarHBondContact O-CA 3.44Å; F355-W386 HydrophobicContact CD1-CB 4.34Å; F355-W386 HydrophobicContact CE1-CB 3.82Å; F355-W386 AromaticContact CE1-CD2 3.91Å; F355-W386 HydrophobicContact CE1-CD2 3.91Å; F355-W386 AromaticContact CE1-CE3 3.63Å; F355-W386 HydrophobicContact CE1-CE3 3.63Å; F355-W386 HydrophobicContact CE1-CG 4.02Å; F355-W386 HydrophobicContact CE1-CZ3 4.45Å; F355-W386 HydrophobicContact CZ-CD2 4.08Å; F355-W386 AromaticContact CZ-CE3 3.83Å; F355-W386 HydrophobicContact CZ-CE3 3.83Å; F355-W386 HydrophobicContact CZ-CG 4.47Å; F355-W386 HydrophobicContact CZ-CZ3 4.29Å; L376-W386 HydrophobicContact CD2-CD2 4.22Å; L376-W386 HydrophobicContact CD2-CH2 4.15Å; L376-W386 HydrophobicContact CD2-CZ2 3.58Å
387	T	97.3	Very high	89.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.5	166.7	39.8	0	0	0	0	110	G48 N50 V79 R81 F351 L352 T353 E354	G48-T387 WeakPolarHBondContact O-CA 3.36Å; N50-T387 PolarHBondContact ND2-O 3.39Å; V79-T387 HydrophobicContact CG1-CG2 3.71Å; R81-T387 HydrophobicContact CB-CG2 4.11Å; F351-T387 HydrophobicContact CE1-CG2 3.94Å; F351-T387 HydrophobicContact CZ-CG2 4.12Å; L352-T387 PolarHBondContact O-N 3.02Å; T353-T387 CarbonylContact C-O 3.47Å; T353-T387 VanDerWaalsContact CA-OG1 3.26Å; T353-T387 WeakPolarHBondContact CA-OG1 3.49Å; T353-T387 VanDerWaalsContact O-O 3.06Å; T353-T387 PolarHBondContact O-OG1 2.83Å; E354-T387 WeakPolarHBondContact CA-O 3.44Å
388	Y	94.6	Very high	88.5	Confident	21 Å²	21	48.7 Å²	48.7	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146	177.9	175.1	-96.7	0	0	0	112	G48 F49 N50 F355 C358 D390 F393 F406	G48-Y388 PolarHBondContact O-N 3.14Å; F49-Y388 CarbonylContact C-O 3.59Å; F49-Y388 VanDerWaalsContact CA-O 3.23Å; F49-Y388 WeakPolarHBondContact CA-O 3.29Å; N50-Y388 PolarHBondContact N-O 2.94Å; N50-Y388 PolarHBondContact ND2-O 3.46Å; F355-Y388 HydrophobicContact CD2-CD2 4.24Å; F355-Y388 HydrophobicContact CE1-CD2 4.45Å; F355-Y388 AromaticContact CE2-CD2 3.82Å; F355-Y388 HydrophobicContact CE2-CD2 3.82Å; F355-Y388 AromaticContact CZ-CD2 3.93Å; F355-Y388 HydrophobicContact CZ-CD2 3.93Å; F355-Y388 HydrophobicContact CZ-CG 4.41Å; F355-Y388 CarbonylContact O-C 3.51Å; F355-Y388 WeakPolarHBondContact O-CA 3.06Å; F355-Y388 WeakPolarHBondContact O-CD2 3.36Å; C358-Y388 WeakPolarHBondContact O-CE2 3.49Å; C358-Y388 PolarHBondContact O-OH 2.87Å; Y388-D390 VanDerWaalsContact CD1-O 3.23Å; Y388-D390 WeakPolarHBondContact CD1-O 3.47Å; Y388-D390 VanDerWaalsContact CE1-N 3.31Å; Y388-D390 WeakPolarHBondContact CE1-O 3.45Å; Y388-F393 AromaticContact CD1-CE1 3.73Å; Y388-F393 HydrophobicContact CD1-CE1 3.73Å; Y388-F393 AromaticContact CD1-CZ 3.64Å; Y388-F393 HydrophobicContact CD1-CZ 3.64Å; Y388-F393 AromaticContact CE1-CE1 3.87Å; Y388-F393 HydrophobicContact CE1-CE1 3.87Å; Y388-F393 HydrophobicContact CE1-CZ 4.22Å; Y388-F406 HydrophobicContact CD1-CZ 4.12Å; Y388-F406 HydrophobicContact CD2-CE1 4.18Å; Y388-F406 AromaticContact CD2-CZ 3.54Å; Y388-F406 HydrophobicContact CD2-CZ 3.54Å; Y388-F406 HydrophobicContact CE1-CZ 4.44Å; Y388-F406 HydrophobicContact CE2-CE1 4.29Å; Y388-F406 AromaticContact CE2-CZ 3.88Å; Y388-F406 HydrophobicContact CE2-CZ 3.88Å; Y388-F406 HydrophobicContact CG-CE2 4.34Å; Y388-F406 AromaticContact CG-CZ 3.67Å; Y388-F406 HydrophobicContact CG-CZ 3.67Å
389	W	91.6	Very high	87.8	Confident	39 Å²	39	51.8 Å²	51.8	15%	0.148	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.7	170.9	-173.2	-85.4	0	0	0	109.8	N50 V52 H123 Y306 E354 F355	N50-W389 HydrophobicContact CB-CD2 4.4Å; N50-W389 HydrophobicContact CB-CE3 3.48Å; N50-W389 VanDerWaalsContact CB-CE3 3.48Å; N50-W389 HydrophobicContact CB-CZ3 3.73Å; V52-W389 HydrophobicContact CB-CH2 4.13Å; V52-W389 HydrophobicContact CB-CZ3 4.41Å; V52-W389 HydrophobicContact CG2-CH2 4.26Å; V52-W389 HydrophobicContact CG2-CZ3 4.05Å; H123-W389 AromaticContact CE1-CH2 3.58Å; H123-W389 AromaticContact CE1-CZ3 3.41Å; H123-W389 VanDerWaalsContact CE1-CZ3 3.41Å; H123-W389 WeakPolarHBondContact CE1-CZ3 3.3Å; H123-W389 AromaticContact NE2-CH2 3.45Å; H123-W389 WeakPolarHBondContact NE2-CH2 3.35Å; H123-W389 AromaticContact NE2-CZ3 3.8Å; Y306-W389 WeakPolarHBondContact OH-CB 3.33Å; E354-W389 HydrophobicContact CG-CE3 4.05Å; F355-W389 PolarHBondContact O-N 3.2Å
390	D	79	Confident	87.1	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.251	29%	0.287	S	S	.	.			cis	-125.8	-168	9.7	57	36.6	0	0	0	112.5	Y388 Y392 F393	Y388-D390 VanDerWaalsContact CD1-O 3.23Å; Y388-D390 WeakPolarHBondContact CD1-O 3.47Å; Y388-D390 VanDerWaalsContact CE1-N 3.31Å; Y388-D390 WeakPolarHBondContact CE1-O 3.45Å; D390-Y392 HydrophobicContact CB-CD2 4.22Å; D390-Y392 HydrophobicContact CB-CE2 4.41Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.28Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.32Å; D390-Y392 PolarHBondContact OD1-N 3.08Å; D390-Y392 WeakPolarHBondContact OD2-CD2 3.25Å; D390-Y392 WeakPolarHBondContact OD2-CE2 3.08Å; D390-F393 VanDerWaalsContact O-CZ 3.3Å; D390-F393 WeakPolarHBondContact O-CZ 3.14Å
391	G	76.3	Confident	86.1	Confident	2 Å²	2	53.6 Å²	53.6	2%	0.021	28%	0.282	C	S	.	.			trans	-84.9	9.2	-179.4	0	0	0	0	0	116.5	N50 F393	N50-G391 PolarHBondContact O-N 2.94Å; G391-F393 PolarHBondContact O-N 3.07Å
392	Y	79.4	Confident	84.7	Confident	117 Å²	117	57.4 Å²	57.4	46%	0.459	29%	0.292	S	S	.	.			trans	-83	63.1	-176	-58.5	-57	0	0	0	112.4	D390	D390-Y392 HydrophobicContact CB-CD2 4.22Å; D390-Y392 HydrophobicContact CB-CE2 4.41Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.28Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.32Å; D390-Y392 PolarHBondContact OD1-N 3.08Å; D390-Y392 WeakPolarHBondContact OD2-CD2 3.25Å; D390-Y392 WeakPolarHBondContact OD2-CE2 3.08Å
393	F	80.2	Confident	83	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.026	30%	0.3	C	S	.	.			trans	-86.8	-6.4	178.8	-55.7	-62.2	0	0	0	114.4	F49 F72 W75 Y388 D390 G391 P400 I401 A404 F406	F49-F393 HydrophobicContact CB-CE2 3.58Å; F49-F393 HydrophobicContact CB-CZ 3.79Å; F49-F393 AromaticContact CD1-CE2 3.71Å; F49-F393 HydrophobicContact CD1-CE2 3.71Å; F49-F393 HydrophobicContact CD2-CE2 4.06Å; F49-F393 HydrophobicContact CE1-CE2 4.39Å; F49-F393 HydrophobicContact CG-CD2 4.48Å; F49-F393 AromaticContact CG-CE2 3.52Å; F49-F393 HydrophobicContact CG-CE2 3.52Å; F49-F393 HydrophobicContact CG-CZ 4.25Å; F72-F393 HydrophobicContact CE1-CB 4.3Å; F72-F393 AromaticContact CE1-CD2 3.73Å; F72-F393 HydrophobicContact CE1-CD2 3.73Å; F72-F393 HydrophobicContact CE1-CG 4.48Å; F72-F393 HydrophobicContact CZ-CD2 4.14Å; W75-F393 HydrophobicContact CH2-CB 3.98Å; W75-F393 HydrophobicContact CZ3-CB 3.74Å; W75-F393 HydrophobicContact CZ3-CD2 4.3Å; W75-F393 HydrophobicContact CZ3-CG 4.05Å; Y388-F393 AromaticContact CD1-CE1 3.73Å; Y388-F393 HydrophobicContact CD1-CE1 3.73Å; Y388-F393 AromaticContact CD1-CZ 3.64Å; Y388-F393 HydrophobicContact CD1-CZ 3.64Å; Y388-F393 AromaticContact CE1-CE1 3.87Å; Y388-F393 HydrophobicContact CE1-CE1 3.87Å; Y388-F393 HydrophobicContact CE1-CZ 4.22Å; D390-F393 VanDerWaalsContact O-CZ 3.3Å; D390-F393 WeakPolarHBondContact O-CZ 3.14Å; G391-F393 PolarHBondContact O-N 3.07Å; F393-P400 CarbonylContact O-C 3.5Å; F393-P400 WeakPolarHBondContact O-CA 3.35Å; F393-I401 PolarHBondContact O-N 3.46Å; F393-A404 HydrophobicContact CD1-CB 3.89Å; F393-A404 VanDerWaalsContact CD1-O 3.26Å; F393-A404 WeakPolarHBondContact CD1-O 3.31Å; F393-A404 WeakPolarHBondContact CE1-O 3.25Å; F393-F406 HydrophobicContact CE1-CE2 4.09Å; F393-F406 HydrophobicContact CZ-CE2 4.42Å
394	I	80.1	Confident	81.2	Confident	24 Å²	24	53.9 Å²	53.9	12%	0.123	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-127.6	134.5	-170.2	-54.7	-167.7	0	0	0	109	Q68 M71 F72 G398 N399	Q68-I394 HydrophobicContact CB-CD1 3.62Å; Q68-I394 HydrophobicContact CG-CD1 3.42Å; Q68-I394 VanDerWaalsContact CG-CD1 3.42Å; Q68-I394 HydrophobicContact CG-CG1 4.48Å; M71-I394 HydrophobicContact CE-CD1 3.71Å; M71-I394 HydrophobicContact CE-CG1 4.25Å; M71-I394 HydrophobicContact SD-CD1 3.96Å; F72-I394 HydrophobicContact CE1-CD1 4.44Å; I394-G398 WeakPolarHBondContact CG2-O 3.27Å; I394-N399 CarbonylContact C-O 3.51Å; I394-N399 WeakPolarHBondContact CA-O 3.26Å; I394-N399 WeakPolarHBondContact CG2-O 3.36Å
395	D	79.9	Confident	79.2	Confident	65 Å²	65	54.2 Å²	54.2	35%	0.348	29%	0.289	S	S	.	.			trans	-75.5	172.1	175.9	69.6	19.1	0	0	0	112.3	A397 G398 N399 I401	D395-A397 PolarHBondContact O-N 3.22Å; D395-A397 VanDerWaalsContact OD1-C 3.3Å; D395-A397 VanDerWaalsContact OD1-CA 3.3Å; D395-A397 WeakPolarHBondContact OD1-CA 3.02Å; D395-A397 WeakPolarHBondContact OD1-CB 2.96Å; D395-A397 PolarHBondContact OD1-N 3.24Å; D395-G398 PolarHBondContact O-N 3.22Å; D395-G398 PolarHBondContact OD1-N 3.24Å; D395-N399 PolarHBondContact N-O 2.63Å; D395-N399 PolarHBondContact OD1-N 2.74Å; D395-N399 PolarHBondContact OD1-ND2 3.14Å; D395-I401 HydrophobicContact CB-CD1 4.47Å; D395-I401 HydrophobicContact CB-CG1 4.01Å
396	D	78	Confident	77	Confident	183 Å²	183	56.8 Å²	56.8	98%	0.979	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.5	179.1	-65.1	-27.8	0	0	0	113.4
397	A	80.6	Confident	74.3	Confident	78 Å²	78	61.6 Å²	61.6	65%	0.645	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	0.8	177.2	0	0	0	0	0	113.1	D395 N399	D395-A397 PolarHBondContact O-N 3.22Å; D395-A397 VanDerWaalsContact OD1-C 3.3Å; D395-A397 VanDerWaalsContact OD1-CA 3.3Å; D395-A397 WeakPolarHBondContact OD1-CA 3.02Å; D395-A397 WeakPolarHBondContact OD1-CB 2.96Å; D395-A397 PolarHBondContact OD1-N 3.24Å; A397-N399 WeakPolarHBondContact CB-ND2 3.26Å
398	G	78.1	Confident	71.4	Confident	33 Å²	33	65.4 Å²	65.4	34%	0.34	35%	0.349	S	S	.	.	S	Bend	trans	83.4	10.1	179.9	0	0	0	0	0	114.2	I394 D395	I394-G398 WeakPolarHBondContact CG2-O 3.27Å; D395-G398 PolarHBondContact O-N 3.22Å; D395-G398 PolarHBondContact OD1-N 3.24Å
399	N	81.4	Confident	68.4	Low	86 Å²	86	68.8 Å²	68.8	46%	0.46	38%	0.376	S	S	.	.			trans	-93.2	145.3	178.9	-53.4	-73.5	0	0	0	111.2	I394 D395 A397 I401	I394-N399 CarbonylContact C-O 3.51Å; I394-N399 WeakPolarHBondContact CA-O 3.26Å; I394-N399 WeakPolarHBondContact CG2-O 3.36Å; D395-N399 PolarHBondContact N-O 2.63Å; D395-N399 PolarHBondContact OD1-N 2.74Å; D395-N399 PolarHBondContact OD1-ND2 3.14Å; A397-N399 WeakPolarHBondContact CB-ND2 3.26Å; N399-I401 PolarHBondContact O-N 3.2Å
400	P	79.3	Confident	65.4	Low	58 Å²	58	73.8 Å²	73.8	38%	0.377	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-59.3	128.4	171.3	-2.5	6.7	0	0	0	111.6	M71 W75 F393 R402 V405	M71-P400 HydrophobicContact CE-CB 4.17Å; M71-P400 HydrophobicContact CE-CG 3.58Å; W75-P400 HydrophobicContact CH2-CB 4.04Å; W75-P400 HydrophobicContact CZ2-CB 3.82Å; W75-P400 HydrophobicContact CZ2-CG 4.13Å; F393-P400 CarbonylContact O-C 3.5Å; F393-P400 WeakPolarHBondContact O-CA 3.35Å; P400-R402 PolarHBondContact O-N 2.87Å; P400-R402 VanDerWaalsContact O-N 3.16Å; P400-V405 HydrophobicContact CB-CG2 3.67Å
401	I	73.8	Confident	62.9	Low	56 Å²	56	76.9 Å²	76.9	29%	0.287	43%	0.43	S	S	.	.			trans	-71.5	108.5	171.5	-63.8	167.6	0	0	0	107	F393 D395 N399 S403 A404 V405	F393-I401 PolarHBondContact O-N 3.46Å; D395-I401 HydrophobicContact CB-CD1 4.47Å; D395-I401 HydrophobicContact CB-CG1 4.01Å; N399-I401 PolarHBondContact O-N 3.2Å; I401-S403 WeakPolarHBondContact CG2-OG 3.46Å; I401-S403 PolarHBondContact O-N 3.31Å; I401-A404 HydrophobicContact CB-CB 4Å; I401-A404 HydrophobicContact CG2-CB 4.01Å; I401-A404 PolarHBondContact O-N 3.38Å; I401-V405 WeakPolarHBondContact O-CG2 3.37Å; I401-V405 PolarHBondContact O-N 3.34Å
402	R	66.4	Low	60.5	Low	220 Å²	220	81.8 Å²	81.8	83%	0.83	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.6	-174.6	-71	-171.9	179.8	-159.3	-0.1	113.5	P400 A404	P400-R402 PolarHBondContact O-N 2.87Å; P400-R402 VanDerWaalsContact O-N 3.16Å; R402-A404 VanDerWaalsContact C-N 3.33Å
403	S	60.1	Low	57.9	Low	59 Å²	59	81 Å²	81	41%	0.413	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.8	179.6	59.2	0	0	0	0	115.3	G359 D360 I401	G359-S403 CarbonylContact C-O 3.46Å; D360-S403 PolarHBondContact N-O 3.31Å; D360-S403 WeakPolarHBondContact O-CA 3.45Å; I401-S403 WeakPolarHBondContact CG2-OG 3.46Å; I401-S403 PolarHBondContact O-N 3.31Å
404	A	56.7	Low	55.3	Low	17 Å²	17	88.5 Å²	88.5	14%	0.14	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.8	-179.8	0	0	0	0	0	111.9	F393 I401 R402	F393-A404 HydrophobicContact CD1-CB 3.89Å; F393-A404 VanDerWaalsContact CD1-O 3.26Å; F393-A404 WeakPolarHBondContact CD1-O 3.31Å; F393-A404 WeakPolarHBondContact CE1-O 3.25Å; I401-A404 HydrophobicContact CB-CB 4Å; I401-A404 HydrophobicContact CG2-CB 4.01Å; I401-A404 PolarHBondContact O-N 3.38Å; R402-A404 VanDerWaalsContact C-N 3.33Å
405	V	53.8	Low	52.9	Low	11 Å²	11	92.6 Å²	92.6	7%	0.067	53%	0.529	C	S	.	.	S	Bend	trans	-92	107.2	177.5	-175.9	0	0	0	0	109.4	W75 P400 I401 H407 W416	W75-V405 HydrophobicContact CH2-CG1 4.44Å; W75-V405 HydrophobicContact CH2-CG2 3.47Å; W75-V405 VanDerWaalsContact CH2-CG2 3.47Å; W75-V405 HydrophobicContact CZ2-CG1 4.3Å; W75-V405 HydrophobicContact CZ2-CG2 3.85Å; W75-V405 HydrophobicContact CZ3-CG2 4.04Å; P400-V405 HydrophobicContact CB-CG2 3.67Å; I401-V405 WeakPolarHBondContact O-CG2 3.37Å; I401-V405 PolarHBondContact O-N 3.34Å; V405-H407 PolarHBondContact O-N 3.21Å; V405-H407 PolarHBondContact O-ND1 2.85Å; V405-W416 HydrophobicContact CG1-CH2 3.84Å; V405-W416 HydrophobicContact CG1-CZ2 4.35Å
406	F	52.3	Low	50.4	Low	57 Å²	57	97.2 Å²	97.2	25%	0.25	54%	0.541	C	S	.	.			trans	-50.8	110.2	178.3	-54.7	-82.1	0	0	0	111.3	C372 L376 Y388 F393	C372-F406 HydrophobicContact CB-CE1 4.5Å; L376-F406 HydrophobicContact CD1-CD1 3.72Å; L376-F406 HydrophobicContact CD1-CE1 4.15Å; L376-F406 HydrophobicContact CD1-CG 4.39Å; Y388-F406 HydrophobicContact CD1-CZ 4.12Å; Y388-F406 HydrophobicContact CD2-CE1 4.18Å; Y388-F406 AromaticContact CD2-CZ 3.54Å; Y388-F406 HydrophobicContact CD2-CZ 3.54Å; Y388-F406 HydrophobicContact CE1-CZ 4.44Å; Y388-F406 HydrophobicContact CE2-CE1 4.29Å; Y388-F406 AromaticContact CE2-CZ 3.88Å; Y388-F406 HydrophobicContact CE2-CZ 3.88Å; Y388-F406 HydrophobicContact CG-CE2 4.34Å; Y388-F406 AromaticContact CG-CZ 3.67Å; Y388-F406 HydrophobicContact CG-CZ 3.67Å; F393-F406 HydrophobicContact CE1-CE2 4.09Å; F393-F406 HydrophobicContact CZ-CE2 4.42Å
407	H	41.8	Very low	47.9	Very low	114 Å²	114	95.1 Å²	95.1	53%	0.528	53%	0.526	S	S	.	.			trans	-85.4	115.9	160.2	-80.6	55.8	0	0	0	107.7	D360 V405 S409	D360-H407 WeakPolarHBondContact OD2-CB 3.35Å; V405-H407 PolarHBondContact O-N 3.21Å; V405-H407 PolarHBondContact O-ND1 2.85Å; H407-S409 PolarHBondContact O-N 2.94Å
408	S	35.2	Very low	45.3	Very low	81 Å²	81	96.5 Å²	96.5	57%	0.566	52%	0.521	S	S	*	.			trans	-66.6	104.1	159	64	0	0	0	0	107.3	L410	S408-L410 PolarHBondContact O-N 2.83Å
409	S	31.8	Very low	42.9	Very low	92 Å²	92	99.3 Å²	99.3	64%	0.643	54%	0.535	S	S	*	.			trans	-75.5	63.2	170.4	58.7	0	0	0	0	110.7	H407	H407-S409 PolarHBondContact O-N 2.94Å
410	L	29.7	Very low	40.1	Very low	144 Å²	144	104.5 Å²	104.5	75%	0.754	56%	0.556	S	S	*	*			trans	-94.9	97.2	150.6	-78.3	169	0	0	0	106.6	S408 S412	S408-L410 PolarHBondContact O-N 2.83Å; L410-S412 PolarHBondContact O-N 2.97Å
411	S	26.6	Very low	37.5	Very low	112 Å²	112	106.2 Å²	106.2	78%	0.783	58%	0.575	S	S	*	*	S	Bend	trans	-57.6	128.6	164.8	52	0	0	0	0	108.3
412	S	24.3	Very low	35.2	Very low	105 Å²	105	109.1 Å²	109.1	73%	0.734	60%	0.596	S	S	*	*	S	Bend	trans	87.6	117.7	-165.4	79.9	0	0	0	0	114.5	L410	L410-S412 PolarHBondContact O-N 2.97Å
413	V	26.7	Very low	33.2	Very low	99 Å²	99	105.8 Å²	105.8	60%	0.6	59%	0.587	S	S	*	*	S	Bend	trans	88.8	102.1	179.8	-148	0	0	0	0	115.5	K415	V413-K415 HydrophobicContact CB-CD 4.31Å; V413-K415 HydrophobicContact CB-CG 3.99Å; V413-K415 HydrophobicContact CG1-CD 4.09Å; V413-K415 HydrophobicContact CG1-CG 3.62Å; V413-K415 PolarHBondContact O-N 2.95Å
414	N	25.3	Very low	31.4	Very low	164 Å²	164	112.5 Å²	112.5	88%	0.877	61%	0.612	S	S	*	*			trans	-41	98.7	154.4	-71.1	-27.6	0	0	0	109.5
415	K	28.4	Very low	30.1	Very low	110 Å²	110	121 Å²	121	48%	0.478	67%	0.67	S	S	.	*			trans	-136.7	90.9	177.1	-70.5	-163.8	173.9	-176.8	0	111.5	V413 E417	V413-K415 HydrophobicContact CB-CD 4.31Å; V413-K415 HydrophobicContact CB-CG 3.99Å; V413-K415 HydrophobicContact CG1-CD 4.09Å; V413-K415 HydrophobicContact CG1-CG 3.62Å; V413-K415 PolarHBondContact O-N 2.95Å; K415-E417 VanDerWaalsContact CA-N 3.32Å; K415-E417 HydrophobicContact CB-CB 4.25Å; K415-E417 HydrophobicContact CD-CB 4.38Å; K415-E417 HydrophobicContact CG-CB 4.1Å
416	W	27.7	Very low	28.9	Very low	163 Å²	163	126.5 Å²	126.5	62%	0.617	70%	0.7	S	S	*	*			trans	-74.4	12.7	134.2	-73.3	102.4	0	0	0	111.3	W75 V405 I418	W75-W416 VanDerWaalsContact CA-CZ3 3.48Å; W75-W416 HydrophobicContact CB-CE3 4.26Å; W75-W416 HydrophobicContact CB-CH2 4.24Å; W75-W416 HydrophobicContact CB-CZ3 3.5Å; W75-W416 AromaticContact CD1-CE3 3.73Å; W75-W416 AromaticContact CD1-CH2 3.1Å; W75-W416 AromaticContact CD1-CZ2 3.9Å; W75-W416 AromaticContact CD1-CZ3 3.02Å; W75-W416 HydrophobicContact CD2-CH2 4.01Å; W75-W416 HydrophobicContact CD2-CZ3 4.17Å; W75-W416 AromaticContact CE2-CH2 3.89Å; W75-W416 HydrophobicContact CG-CE3 4.22Å; W75-W416 AromaticContact CG-CH2 3.54Å; W75-W416 HydrophobicContact CG-CH2 3.54Å; W75-W416 AromaticContact CG-CZ3 3.28Å; W75-W416 HydrophobicContact CG-CZ3 3.28Å; W75-W416 AromaticContact NE1-CH2 3.3Å; W75-W416 VanDerWaalsContact NE1-CH2 3.3Å; W75-W416 AromaticContact NE1-CZ2 3.85Å; W75-W416 AromaticContact NE1-CZ3 3.77Å; V405-W416 HydrophobicContact CG1-CH2 3.84Å; V405-W416 HydrophobicContact CG1-CZ2 4.35Å; W416-I418 PolarHBondContact O-N 2.81Å
417	E	25.2	Very low	27.7	Very low	139 Å²	139	130.1 Å²	130.1	65%	0.65	72%	0.724	S	S	*	*			trans	-98.9	69.4	-178.6	-65.6	-177.3	154.4	0	0	111.5	K415	K415-E417 VanDerWaalsContact CA-N 3.32Å; K415-E417 HydrophobicContact CB-CB 4.25Å; K415-E417 HydrophobicContact CD-CB 4.38Å; K415-E417 HydrophobicContact CG-CB 4.1Å
418	I	26.6	Very low	26.9	Very low	106 Å²	106	131 Å²	131	54%	0.544	74%	0.735	S	S	.	*	S	Bend	trans	-134.6	72.3	160.4	-54.3	-179.7	0	0	0	107.8	W416	W416-I418 PolarHBondContact O-N 2.81Å
419	C	27.2	Very low	26.4	Very low	93 Å²	93	133.9 Å²	133.9	63%	0.628	75%	0.745	S	S	*	*	S	Bend	trans	-172.7	8.6	155	-99.2	0	0	0	0	115.4
420	Q	23.8	Very low	26	Very low	195 Å²	195	136.6 Å²	136.6	91%	0.911	75%	0.751	S	S	*	*			trans	-113.1	12.5	-177.8	-81.5	-162	-16.5	0	0	117.2	T422	Q420-T422 PolarHBondContact O-N 2.99Å
421	A	24.6	Very low	25.8	Very low	93 Å²	93	136.1 Å²	136.1	77%	0.769	75%	0.751	S	S	*	*			trans	-99.5	76.6	-180	0	0	0	0	0	113.1
422	T	25.6	Very low	25.7	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	75%	0.749	S	S	*	*	S	Bend	trans	178.9	73.2	143.9	16.9	0	0	0	0	112.2	Q420	Q420-T422 PolarHBondContact O-N 2.99Å
423	F	24.7	Very low	25.9	Very low	149 Å²	149	140.3 Å²	140.3	65%	0.654	75%	0.75	S	S	*	*			trans	-155.5	79.5	153.6	-87.2	-73.3	0	0	0	108.3	F42	F42-F423 HydrophobicContact CD2-CZ 4.37Å; F42-F423 HydrophobicContact CE2-CE1 4.15Å; F42-F423 HydrophobicContact CE2-CE2 4.4Å; F42-F423 AromaticContact CE2-CZ 3.52Å; F42-F423 HydrophobicContact CE2-CZ 3.52Å; F42-F423 AromaticContact CZ-CE1 3.96Å; F42-F423 HydrophobicContact CZ-CE1 3.96Å; F42-F423 AromaticContact CZ-CZ 3.68Å; F42-F423 HydrophobicContact CZ-CZ 3.68Å
424	Q	21.9	Very low	25.8	Very low	201 Å²	201	143.8 Å²	143.8	94%	0.939	76%	0.762	S	S	*	*			trans	-165.6	80.1	162.3	-106.6	177	21.5	0	0	109.3
425	S	28.4	Very low	25.8	Very low	194 Å²	194	141.9 Å²	141.9	100%	1.357	75%	0.752	S	S	*	*			trans	-167.9	0	146.6	66.7	0	0	0	0	108.9

Retrieved 425 of 425 residues in 163.2 ms (Link to these results)

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