A0A087YD90_POEFO Loading...

Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial

Malonate and methylmalonate semialdehyde dehydrogenase involved in the catabolism of valine, thymine, and compounds catabolized by way of beta-alanine, including uracil and cytidine.

AlphaFold DB , UniProt , Accession A0A087YD90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 528 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.1	Very low	30.5	Very low	247 Å²	247	156.4 Å²	156.4	100%	1.217	83%	0.83	S	S	*	*				0	86.6	0	-146.8	179.1	-141.2	0	0	106.9
2	V	26.6	Very low	30.5	Very low	135 Å²	135	153.9 Å²	153.9	82%	0.818	83%	0.825	S	S	*	*			trans	-131.2	110.3	174.3	179.2	0	0	0	0	104.9	M4	V2-M4 PolarHBondContact O-N 2.75Å
3	S	25.1	Very low	30.4	Very low	113 Å²	113	159.5 Å²	159.5	79%	0.79	83%	0.827	S	S	*	*			trans	-75.1	112.6	179.3	170.6	0	0	0	0	108.5
4	M	29.2	Very low	30.5	Very low	156 Å²	156	162.2 Å²	162.2	77%	0.768	83%	0.83	S	S	*	*			trans	-92.4	111.2	164	-82.9	-178.6	169	0	0	108.1	V2 F6	V2-M4 PolarHBondContact O-N 2.75Å; M4-F6 HydrophobicContact CB-CD2 4.49Å; M4-F6 HydrophobicContact CB-CE2 4.2Å; M4-F6 PolarHBondContact O-N 2.93Å
5	D	28	Very low	30.2	Very low	134 Å²	134	161.7 Å²	161.7	72%	0.717	82%	0.823	S	S	*	*			trans	-77.4	102.8	179.8	-162.2	1.5	0	0	0	109.3	R7	D5-R7 PolarHBondContact O-N 3.39Å
6	F	31.4	Very low	30.3	Very low	187 Å²	187	159.9 Å²	159.9	82%	0.82	82%	0.822	S	S	*	*			trans	-93.9	79	171.9	-79.1	-85.8	0	0	0	109.3	M4	M4-F6 HydrophobicContact CB-CD2 4.49Å; M4-F6 HydrophobicContact CB-CE2 4.2Å; M4-F6 PolarHBondContact O-N 2.93Å
7	R	34.1	Very low	30.1	Very low	211 Å²	211	158.6 Å²	158.6	80%	0.796	81%	0.811	S	S	*	*			trans	-141.3	138	163.5	-65.2	-172	-161.5	-175.8	6.9	110.8	D5	D5-R7 PolarHBondContact O-N 3.39Å
8	N	33.2	Very low	30	Very low	162 Å²	162	156.3 Å²	156.3	87%	0.866	81%	0.809	S	S	*	*			trans	84.2	78.5	173	-64	-14.3	0	0	0	117
9	T	31.1	Very low	30	Very low	134 Å²	134	157.9 Å²	157.9	82%	0.822	81%	0.809	S	S	*	*			trans	-117	124.2	142	-27.3	0	0	0	0	107.3	V11	T9-V11 PolarHBondContact O-N 3.32Å
10	P	30.3	Very low	30.4	Very low	113 Å²	113	157.5 Å²	157.5	73%	0.734	81%	0.814	S	S	*	*			trans	-71.8	119.1	-177.9	26.3	-29.7	0	0	0	109.9	T12	P10-T12 PolarHBondContact O-N 3.11Å; P10-T12 VanDerWaalsContact O-N 3.1Å
11	V	32.5	Very low	30.3	Very low	128 Å²	128	152.4 Å²	152.4	78%	0.776	80%	0.8	S	S	*	*			trans	-65.6	106	168	-179.7	0	0	0	0	107.6	T9 R13	T9-V11 PolarHBondContact O-N 3.32Å; V11-R13 PolarHBondContact O-N 2.72Å; V11-R13 VanDerWaalsContact O-N 3.1Å
12	T	30.4	Very low	30.6	Very low	127 Å²	127	150.5 Å²	150.5	78%	0.779	79%	0.788	S	S	*	*			trans	-72.9	100.3	171.2	1.1	0	0	0	0	107.8	P10 F14	P10-T12 PolarHBondContact O-N 3.11Å; P10-T12 VanDerWaalsContact O-N 3.1Å; T12-F14 PolarHBondContact O-N 3.23Å
13	R	29.3	Very low	30.8	Very low	226 Å²	226	151.1 Å²	151.1	85%	0.853	79%	0.786	S	S	*	*			trans	-68.2	125.1	167.3	-79.3	-176.7	176.8	-174.4	-0.9	108.4	V11 E15	V11-R13 PolarHBondContact O-N 2.72Å; V11-R13 VanDerWaalsContact O-N 3.1Å; R13-E15 PolarHBondContact O-N 3.45Å
14	F	31.3	Very low	31.1	Very low	198 Å²	198	151.6 Å²	151.6	87%	0.868	79%	0.788	S	S	*	*			trans	-73.5	112.1	161.8	-84.9	-91.8	0	0	0	108.1	T12	T12-F14 PolarHBondContact O-N 3.23Å
15	E	26.6	Very low	31.5	Very low	155 Å²	155	155.6 Å²	155.6	72%	0.724	80%	0.796	S	S	*	*			trans	-80.5	117.1	165.2	-77.3	-173.2	152.1	0	0	109.2	R13 H17	R13-E15 PolarHBondContact O-N 3.45Å; E15-H17 IonicContact OE2-CE1 2.85Å; E15-H17 IonicContact OE2-NE2 2.98Å
16	V	31.7	Very low	31.9	Very low	133 Å²	133	154 Å²	154	81%	0.806	80%	0.795	S	S	*	*			trans	-99.9	101.8	161.4	-176.8	0	0	0	0	106.5
17	H	26.5	Very low	32.3	Very low	138 Å²	138	151 Å²	151	64%	0.639	80%	0.797	S	S	*	*			trans	-80.1	126.8	172.7	-81.5	-20.9	0	0	0	110.8	E15 K19	E15-H17 IonicContact OE2-CE1 2.85Å; E15-H17 IonicContact OE2-NE2 2.98Å; H17-K19 PolarHBondContact O-N 2.88Å
18	P	29.3	Very low	33	Very low	117 Å²	117	146 Å²	146	76%	0.76	80%	0.795	S	S	*	*			trans	-84.6	107.3	165.1	31.2	-25.1	0	0	0	108.5	T20	P18-T20 PolarHBondContact O-N 2.75Å
19	K	28.9	Very low	34.8	Very low	187 Å²	187	143.6 Å²	143.6	81%	0.813	79%	0.791	S	S	*	*			trans	-83.6	109.8	165.6	-76.6	-171.2	178.5	-179.2	0	108.7	H17 G21	H17-K19 PolarHBondContact O-N 2.88Å; K19-G21 PolarHBondContact O-N 3.12Å
20	T	39.2	Very low	37.3	Very low	149 Å²	149	140.2 Å²	140.2	91%	0.914	77%	0.77	S	S	*	*			trans	-71.7	108.6	163.5	38.3	0	0	0	0	109	P18	P18-T20 PolarHBondContact O-N 2.75Å
21	G	28	Very low	40.3	Very low	51 Å²	51	138.1 Å²	138.1	53%	0.526	76%	0.758	S	S	.	*	S	Bend	trans	178.9	125.1	173.4	0	0	0	0	0	110.3	K19 L23	K19-G21 PolarHBondContact O-N 3.12Å; G21-L23 PolarHBondContact O-N 2.68Å; G21-L23 VanDerWaalsContact O-N 3.13Å
22	H	39.2	Very low	43.4	Very low	207 Å²	207	134.8 Å²	134.8	96%	0.958	74%	0.738	S	S	*	*			trans	-48	117.2	174.6	-75.9	-46.4	0	0	0	110.9
23	L	32.5	Very low	46.6	Very low	147 Å²	147	129.4 Å²	129.4	77%	0.77	71%	0.705	S	S	*	*			trans	-128.5	121.8	178.7	-93.1	151.8	0	0	0	109.1	G21 Y25	G21-L23 PolarHBondContact O-N 2.68Å; G21-L23 VanDerWaalsContact O-N 3.13Å; L23-Y25 PolarHBondContact O-N 2.91Å
24	C	30.2	Very low	49.9	Very low	124 Å²	124	122.8 Å²	122.8	84%	0.838	68%	0.682	S	S	*	*			trans	-46.4	133.5	164.7	-77.4	0	0	0	0	110.5	S26	C24-S26 PolarHBondContact O-N 3.41Å
25	Y	37.6	Very low	53.1	Low	240 Å²	240	113.4 Å²	113.4	94%	0.941	64%	0.641	S	S	*	*			trans	-63.3	90.1	172.7	-79.1	-93.9	0	0	0	110.6	L23	L23-Y25 PolarHBondContact O-N 2.91Å
26	S	35.9	Very low	56.6	Low	99 Å²	99	106.4 Å²	106.4	69%	0.692	61%	0.608	S	S	*	*			trans	-75.1	130.9	151.5	65.7	0	0	0	0	107.4	C24 S28	C24-S26 PolarHBondContact O-N 3.41Å; S26-S28 PolarHBondContact O-N 2.99Å
27	S	40.8	Very low	59.8	Low	124 Å²	124	100.9 Å²	100.9	87%	0.867	57%	0.574	S	S	*	*			trans	-54.3	89.5	-179.9	58.3	0	0	0	0	112.6	S29	S27-S29 PolarHBondContact O-N 3.39Å
28	S	48.6	Very low	63.2	Low	106 Å²	106	97 Å²	97	74%	0.741	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-74.2	120.5	170.1	51.2	0	0	0	0	108.2	S26 V30	S26-S28 PolarHBondContact O-N 2.99Å; S28-V30 PolarHBondContact O-N 3.22Å
29	S	70.7	Confident	66.5	Low	113 Å²	113	91.8 Å²	91.8	79%	0.79	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53	128.2	173.9	51.5	0	0	0	0	110.3	S27 S31	S27-S29 PolarHBondContact O-N 3.39Å; S29-S31 PolarHBondContact O-N 3.41Å
30	V	84.1	Confident	69.8	Low	63 Å²	63	89.2 Å²	89.2	38%	0.382	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-53.4	132.5	173.4	178	0	0	0	0	109.3	S28 V60 R63	S28-V30 PolarHBondContact O-N 3.22Å; V30-V60 HydrophobicContact CG1-CG1 3.9Å; V30-R63 HydrophobicContact CG1-CG 4.09Å
31	S	93.9	Very high	72.6	Confident	69 Å²	69	85.7 Å²	85.7	48%	0.483	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	150.3	-178	61.9	0	0	0	0	111.7	S29 I61 A62 R63	S29-S31 PolarHBondContact O-N 3.41Å; S31-I61 PolarHBondContact OG-O 2.84Å; S31-A62 CarbonylContact O-C 3.1Å; S31-A62 VanDerWaalsContact O-CA 3.23Å; S31-A62 WeakPolarHBondContact O-CA 3.47Å; S31-A62 WeakPolarHBondContact OG-CB 3.49Å; S31-R63 PolarHBondContact O-N 2.81Å
32	T	96.8	Very high	75.9	Confident	58 Å²	58	85.8 Å²	85.8	36%	0.356	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.5	176.7	53.7	0	0	0	0	111.1	E43 W49 R63	T32-E43 WeakPolarHBondContact CB-OE1 3.34Å; T32-E43 PolarHBondContact OG1-OE1 3.15Å; T32-W49 HydrophobicContact CG2-CE3 4.11Å; T32-W49 HydrophobicContact CG2-CH2 3.92Å; T32-W49 HydrophobicContact CG2-CZ3 3.62Å; T32-R63 CarbonylContact C-O 3.42Å; T32-R63 WeakPolarHBondContact CA-O 3.28Å; T32-R63 HydrophobicContact CG2-CB 4.49Å
33	V	97.8	Very high	78.8	Confident	13 Å²	13	79.9 Å²	79.9	8%	0.079	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-86.2	126.7	172.5	-178.3	0	0	0	0	108.5	I52 A62 R63 V64 P65 P208 M212	V33-I52 HydrophobicContact CG2-CD1 3.57Å; V33-A62 HydrophobicContact CG2-CB 4.36Å; V33-R63 PolarHBondContact N-O 3.29Å; V33-V64 HydrophobicContact CB-CB 4.29Å; V33-V64 HydrophobicContact CB-CG2 4.2Å; V33-V64 HydrophobicContact CG1-CG2 4.39Å; V33-P65 WeakPolarHBondContact O-CD 3.33Å; V33-P208 HydrophobicContact CB-CG 4.35Å; V33-P208 HydrophobicContact CG1-CB 4.08Å; V33-P208 HydrophobicContact CG1-CG 4.04Å; V33-P208 HydrophobicContact CG2-CG 3.94Å; V33-M212 HydrophobicContact CG1-CG 3.95Å
34	K	98.4	Very high	81.9	Confident	88 Å²	88	73.4 Å²	73.4	38%	0.383	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-84.1	158.7	-177.5	-67	179.8	178.9	-178.2	0	111.5	F41 V42 E43 M212 H232	K34-F41 HydrophobicContact CB-CB 4.14Å; K34-F41 HydrophobicContact CB-CD1 4.25Å; K34-F41 HydrophobicContact CD-CB 3.72Å; K34-V42 WeakPolarHBondContact CB-O 3.3Å; K34-E43 WeakPolarHBondContact CE-OE2 3.49Å; K34-M212 WeakPolarHBondContact O-CE 3.33Å; K34-H232 PolarHBondContact O-NE2 3.38Å
35	L	98.8	Very high	85.1	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	160.5	162.4	-55.2	170.5	0	0	0	109.3	I37 F41 V42 P65 A67 E71 H232	L35-I37 HydrophobicContact CB-CD1 4.1Å; L35-I37 HydrophobicContact CB-CG1 4.2Å; L35-I37 HydrophobicContact CD1-CD1 4.01Å; L35-F41 CarbonylContact O-C 3.55Å; L35-F41 VanDerWaalsContact O-CA 3.31Å; L35-F41 WeakPolarHBondContact O-CA 3.19Å; L35-V42 HydrophobicContact CB-CB 4.4Å; L35-V42 PolarHBondContact N-O 3.42Å; L35-V42 PolarHBondContact O-N 2.96Å; L35-P65 HydrophobicContact CD2-CG 4.16Å; L35-P65 HydrophobicContact CG-CG 4.48Å; L35-A67 HydrophobicContact CD2-CB 4.07Å; L35-E71 HydrophobicContact CD1-CB 3.82Å; L35-E71 VanDerWaalsContact CD1-CD 3.48Å; L35-E71 HydrophobicContact CD1-CG 3.79Å; L35-H232 HydrophobicContact CD2-CB 4.4Å
36	F	98.9	Very high	87.9	Confident	8 Å²	8	65.8 Å²	65.8	4%	0.035	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	103.6	168.4	-172.1	-101.7	0	0	0	108.8	K40 F41 M212 A215 Q219 L228 N229 V230	F36-K40 CarbonylContact C-O 3.26Å; F36-K40 WeakPolarHBondContact CA-O 3.43Å; F36-F41 HydrophobicContact CD2-CD1 4.36Å; F36-F41 HydrophobicContact CD2-CD2 4.05Å; F36-F41 HydrophobicContact CD2-CE1 4.13Å; F36-F41 AromaticContact CD2-CE2 3.74Å; F36-F41 HydrophobicContact CD2-CE2 3.74Å; F36-F41 HydrophobicContact CD2-CG 4.32Å; F36-F41 AromaticContact CD2-CZ 3.79Å; F36-F41 HydrophobicContact CD2-CZ 3.79Å; F36-F41 HydrophobicContact CE2-CD2 4.21Å; F36-F41 AromaticContact CE2-CE2 3.73Å; F36-F41 HydrophobicContact CE2-CE2 3.73Å; F36-F41 HydrophobicContact CE2-CZ 4.1Å; F36-M212 HydrophobicContact CB-CE 3.68Å; F36-A215 HydrophobicContact CD1-CB 4.04Å; F36-A215 HydrophobicContact CD2-CB 4.36Å; F36-A215 HydrophobicContact CE1-CB 4.31Å; F36-A215 HydrophobicContact CG-CB 4.07Å; F36-Q219 HydrophobicContact CZ-CB 4.22Å; F36-L228 WeakPolarHBondContact CD1-O 3.39Å; F36-L228 WeakPolarHBondContact CE1-O 3.33Å; F36-N229 CarbonylContact O-C 3.55Å; F36-N229 VanDerWaalsContact O-CA 3.23Å; F36-N229 WeakPolarHBondContact O-CA 2.87Å; F36-V230 HydrophobicContact CB-CB 3.85Å; F36-V230 HydrophobicContact CB-CG2 3.93Å; F36-V230 PolarHBondContact N-O 3.36Å; F36-V230 PolarHBondContact O-N 2.96Å
37	I	98.8	Very high	90.8	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.087	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.5	-175.2	-60.9	174.5	0	0	0	109.5	L35 G39 K40 V42 A75 N229	L35-I37 HydrophobicContact CB-CD1 4.1Å; L35-I37 HydrophobicContact CB-CG1 4.2Å; L35-I37 HydrophobicContact CD1-CD1 4.01Å; I37-G39 VanDerWaalsContact C-N 3.28Å; I37-G39 PolarHBondContact O-N 3.4Å; I37-K40 PolarHBondContact N-O 3.5Å; I37-K40 PolarHBondContact O-N 3.11Å; I37-V42 HydrophobicContact CB-CG2 4.17Å; I37-A75 HydrophobicContact CD1-CB 4.18Å; I37-A75 HydrophobicContact CG1-CB 4.09Å; I37-N229 WeakPolarHBondContact CA-OD1 3.45Å
38	D	98.5	Very high	93.5	Very high	58 Å²	58	65.6 Å²	65.6	31%	0.31	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	43.9	174.5	-148.3	50.9	0	0	0	112.7	K40 S78 R81 N229	D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 PolarHBondContact O-N 3.31Å; D38-S78 WeakPolarHBondContact CA-OG 3.24Å; D38-S78 PolarHBondContact OD1-OG 3.5Å; D38-R81 IonicContact OD1-NH2 3.55Å; D38-N229 PolarHBondContact N-OD1 2.82Å
39	G	98.1	Very high	95.9	Very high	7 Å²	7	64.1 Å²	64.1	7%	0.072	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	16.9	-177.6	0	0	0	0	0	114.4	I37 Q219 D225	I37-G39 VanDerWaalsContact C-N 3.28Å; I37-G39 PolarHBondContact O-N 3.4Å; G39-Q219 PolarHBondContact O-NE2 3.27Å; G39-D225 WeakPolarHBondContact CA-OD1 3.42Å
40	K	98.4	Very high	97.2	Very high	133 Å²	133	60.2 Å²	60.2	58%	0.578	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	144.4	-176.9	-63.6	177.5	-173	170.3	0	111.9	F36 I37 D38 V42	F36-K40 CarbonylContact C-O 3.26Å; F36-K40 WeakPolarHBondContact CA-O 3.43Å; I37-K40 PolarHBondContact N-O 3.5Å; I37-K40 PolarHBondContact O-N 3.11Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 PolarHBondContact O-N 3.31Å; K40-V42 HydrophobicContact CB-CG2 4.31Å; K40-V42 PolarHBondContact O-N 3.41Å
41	F	98.6	Very high	97.8	Very high	75 Å²	75	60.5 Å²	60.5	33%	0.329	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.3	167	-70.7	-90.7	0	0	0	109.1	K34 L35 F36 M212 K216	K34-F41 HydrophobicContact CB-CB 4.14Å; K34-F41 HydrophobicContact CB-CD1 4.25Å; K34-F41 HydrophobicContact CD-CB 3.72Å; L35-F41 CarbonylContact O-C 3.55Å; L35-F41 VanDerWaalsContact O-CA 3.31Å; L35-F41 WeakPolarHBondContact O-CA 3.19Å; F36-F41 HydrophobicContact CD2-CD1 4.36Å; F36-F41 HydrophobicContact CD2-CD2 4.05Å; F36-F41 HydrophobicContact CD2-CE1 4.13Å; F36-F41 AromaticContact CD2-CE2 3.74Å; F36-F41 HydrophobicContact CD2-CE2 3.74Å; F36-F41 HydrophobicContact CD2-CG 4.32Å; F36-F41 AromaticContact CD2-CZ 3.79Å; F36-F41 HydrophobicContact CD2-CZ 3.79Å; F36-F41 HydrophobicContact CE2-CD2 4.21Å; F36-F41 AromaticContact CE2-CE2 3.73Å; F36-F41 HydrophobicContact CE2-CE2 3.73Å; F36-F41 HydrophobicContact CE2-CZ 4.1Å; F41-M212 HydrophobicContact CD1-CE 3.72Å; F41-M212 HydrophobicContact CE1-CB 4.19Å; F41-M212 HydrophobicContact CE1-CE 3.48Å; F41-M212 VanDerWaalsContact CE1-CE 3.48Å; F41-K216 HydrophobicContact CE2-CB 4.14Å; F41-K216 HydrophobicContact CE2-CD 3.82Å; F41-K216 HydrophobicContact CE2-CG 4.49Å; F41-K216 HydrophobicContact CZ-CB 3.86Å; F41-K216 HydrophobicContact CZ-CD 4.39Å
42	V	98.4	Very high	98	Very high	52 Å²	52	57.3 Å²	57.3	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.7	-173.9	-180	0	0	0	0	109.7	K34 L35 I37 K40 S44	K34-V42 WeakPolarHBondContact CB-O 3.3Å; L35-V42 HydrophobicContact CB-CB 4.4Å; L35-V42 PolarHBondContact N-O 3.42Å; L35-V42 PolarHBondContact O-N 2.96Å; I37-V42 HydrophobicContact CB-CG2 4.17Å; K40-V42 HydrophobicContact CB-CG2 4.31Å; K40-V42 PolarHBondContact O-N 3.41Å; V42-S44 PolarHBondContact O-N 3.01Å
43	E	98.1	Very high	98.1	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	29%	0.288	S	S	.	.			trans	-67.5	129.5	170.2	-163.5	64.1	-140.2	0	0	109.2	T32 K34	T32-E43 WeakPolarHBondContact CB-OE1 3.34Å; T32-E43 PolarHBondContact OG1-OE1 3.15Å; K34-E43 WeakPolarHBondContact CE-OE2 3.49Å
44	S	98.1	Very high	98.1	Very high	11 Å²	11	58.7 Å²	58.7	8%	0.077	29%	0.291	C	S	.	.			trans	-74	143.4	-177.9	-179.3	0	0	0	0	111.4	V42 S46 P65 E71	V42-S44 PolarHBondContact O-N 3.01Å; S44-S46 VanDerWaalsContact OG-CB 3.27Å; S44-S46 WeakPolarHBondContact OG-CB 3.43Å; S44-S46 PolarHBondContact OG-N 3.22Å; S44-P65 VanDerWaalsContact CB-CB 3.41Å; S44-P65 WeakPolarHBondContact OG-CB 3.09Å; S44-E71 WeakPolarHBondContact CA-OE1 3.41Å; S44-E71 WeakPolarHBondContact CB-OE1 3.5Å; S44-E71 VanDerWaalsContact OG-CD 3.29Å; S44-E71 PolarHBondContact OG-OE1 2.68Å; S44-E71 PolarHBondContact OG-OE2 2.89Å
45	K	97.5	Very high	98.1	Very high	189 Å²	189	54.5 Å²	54.5	82%	0.822	27%	0.272	S	S	*	.			trans	-84.3	3.3	170.1	-62.5	-179.2	-178.8	177	0	112.6	E71	K45-E71 PolarHBondContact N-OE1 3.33Å
46	S	97.3	Very high	98.1	Very high	14 Å²	14	54.8 Å²	54.8	10%	0.098	27%	0.274	C	S	.	.			trans	-62.7	140.3	-179.9	-169	0	0	0	0	111.8	S44 E48 W49 K66	S44-S46 VanDerWaalsContact OG-CB 3.27Å; S44-S46 WeakPolarHBondContact OG-CB 3.43Å; S44-S46 PolarHBondContact OG-N 3.22Å; S46-E48 VanDerWaalsContact C-N 3.34Å; S46-E48 PolarHBondContact OG-N 3.42Å; S46-E48 PolarHBondContact OG-O 2.93Å; S46-W49 PolarHBondContact O-NE1 2.96Å; S46-K66 WeakPolarHBondContact CB-O 3.37Å; S46-K66 PolarHBondContact OG-O 3.39Å
47	S	96.5	Very high	98	Very high	115 Å²	115	55.8 Å²	55.8	80%	0.804	28%	0.281	S	S	*	.	S	Bend	trans	-86.4	-9.6	166.2	55.9	0	0	0	0	112.5
48	E	97.6	Very high	98	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.491	29%	0.286	S	S	.	.			trans	-107.9	119	-178.1	-69.8	-171.5	-110.3	0	0	111.4	S46 K66	S46-E48 VanDerWaalsContact C-N 3.34Å; S46-E48 PolarHBondContact OG-N 3.42Å; S46-E48 PolarHBondContact OG-O 2.93Å; E48-K66 HydrophobicContact CB-CB 4.1Å; E48-K66 HydrophobicContact CB-CD 3.94Å; E48-K66 HydrophobicContact CB-CG 4.22Å; E48-K66 PolarHBondContact O-N 3.42Å; E48-K66 WeakPolarHBondContact OE2-CD 3.31Å; E48-K66 IonicContact OE2-NZ 3.55Å; E48-K66 PolarHBondContact OE2-NZ 3.04Å
49	W	97.8	Very high	97.9	Very high	74 Å²	74	60.1 Å²	60.1	28%	0.28	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148	-177.5	-64	81.5	0	0	0	110.4	T32 S46 R63 P65	T32-W49 HydrophobicContact CG2-CE3 4.11Å; T32-W49 HydrophobicContact CG2-CH2 3.92Å; T32-W49 HydrophobicContact CG2-CZ3 3.62Å; S46-W49 PolarHBondContact O-NE1 2.96Å; W49-R63 HydrophobicContact CB-CB 4.37Å; W49-R63 HydrophobicContact CE3-CB 3.97Å; W49-P65 HydrophobicContact CD2-CB 4.34Å; W49-P65 HydrophobicContact CE3-CB 3.96Å; W49-P65 HydrophobicContact CH2-CB 3.96Å; W49-P65 HydrophobicContact CH2-CG 4.32Å; W49-P65 HydrophobicContact CZ2-CB 4.3Å; W49-P65 HydrophobicContact CZ3-CB 3.77Å; W49-P65 HydrophobicContact CZ3-CG 4.01Å
50	L	98	Very high	97.9	Very high	32 Å²	32	62.3 Å²	62.3	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.5	175.4	-61.4	171.4	0	0	0	108.5	R63 V64 K66 E205 Q234	L50-R63 CarbonylContact O-C 3.5Å; L50-R63 VanDerWaalsContact O-CA 3.25Å; L50-R63 WeakPolarHBondContact O-CA 3.21Å; L50-V64 HydrophobicContact CB-CG1 3.83Å; L50-V64 PolarHBondContact N-O 3.12Å; L50-V64 PolarHBondContact O-N 2.81Å; L50-K66 HydrophobicContact CD1-CG 4.09Å; L50-K66 HydrophobicContact CG-CG 4.13Å; L50-E205 HydrophobicContact CD1-CB 3.92Å; L50-E205 HydrophobicContact CD1-CG 3.88Å; L50-Q234 HydrophobicContact CD1-CG 3.73Å
51	D	98.2	Very high	97.8	Very high	69 Å²	69	58.2 Å²	58.2	37%	0.369	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135	175.5	-70	-28.2	0	0	0	110.3	V60 R63	D51-V60 HydrophobicContact CB-CG1 3.91Å; D51-V60 HydrophobicContact CB-CG2 3.95Å; D51-R63 WeakPolarHBondContact OD1-CG 3.41Å; D51-R63 IonicContact OD1-CZ 3.26Å; D51-R63 IonicContact OD1-NE 2.76Å; D51-R63 PolarHBondContact OD1-NE 2.94Å; D51-R63 IonicContact OD1-NH2 3.44Å; D51-R63 PolarHBondContact OD1-NH2 3.44Å
52	I	98.3	Very high	97.8	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	169.3	-58.7	161	0	0	0	106.3	V33 V60 I61 A62 V64 E119 P208	V33-I52 HydrophobicContact CG2-CD1 3.57Å; I52-V60 CarbonylContact O-C 3.51Å; I52-V60 WeakPolarHBondContact O-CA 3.42Å; I52-I61 HydrophobicContact CB-CG1 4.36Å; I52-I61 HydrophobicContact CG2-CD1 4.05Å; I52-I61 HydrophobicContact CG2-CG1 3.93Å; I52-I61 WeakPolarHBondContact O-CG1 3.18Å; I52-I61 PolarHBondContact O-N 2.68Å; I52-A62 HydrophobicContact CB-CB 4.19Å; I52-A62 WeakPolarHBondContact CB-O 3.31Å; I52-A62 HydrophobicContact CD1-CB 3.67Å; I52-A62 HydrophobicContact CG1-CB 4.47Å; I52-A62 PolarHBondContact N-O 3.27Å; I52-A62 PolarHBondContact O-N 3.46Å; I52-V64 HydrophobicContact CD1-CB 4.05Å; I52-V64 HydrophobicContact CD1-CG1 4.48Å; I52-V64 HydrophobicContact CG1-CB 4.39Å; I52-V64 HydrophobicContact CG1-CG1 4.3Å; I52-E119 HydrophobicContact CG2-CB 4.47Å; I52-E119 HydrophobicContact CG2-CG 4.04Å; I52-P208 HydrophobicContact CD1-CG 3.59Å; I52-P208 HydrophobicContact CG1-CG 4.4Å
53	H	97.8	Very high	97.8	Very high	75 Å²	75	57.5 Å²	57.5	35%	0.347	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.6	-178.7	-65.9	-101	0	0	0	110.6	P55 N58 E59	H53-P55 WeakPolarHBondContact O-CD 3.41Å; H53-N58 PolarHBondContact ND1-O 3.27Å; H53-E59 CarbonylContact C-O 3.58Å; H53-E59 VanDerWaalsContact CA-O 3.29Å; H53-E59 WeakPolarHBondContact CA-O 3.4Å
54	N	98.4	Very high	97.8	Very high	26 Å²	26	53.5 Å²	53.5	14%	0.139	27%	0.268	C	S	.	.			trans	-74.1	115.3	158.1	177.1	-25	0	0	0	107.9	A56 T57 N58 E59 I61	N54-A56 PolarHBondContact O-N 2.85Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CB 3.33Å; N54-A56 PolarHBondContact OD1-N 2.86Å; N54-T57 PolarHBondContact O-N 3.22Å; N54-T57 VanDerWaalsContact O-N 3.16Å; N54-N58 VanDerWaalsContact O-CA 3.24Å; N54-N58 WeakPolarHBondContact O-CA 3.28Å; N54-N58 PolarHBondContact O-N 3.42Å; N54-E59 PolarHBondContact N-O 3.23Å; N54-I61 HydrophobicContact CB-CD1 4.39Å; N54-I61 HydrophobicContact CB-CG2 3.81Å
55	P	98.5	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16	-174.3	25.7	-33	0	0	0	114.2	H53 L118 P350 L351 N390	H53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-L118 WeakPolarHBondContact CD-O 3.35Å; P55-P350 HydrophobicContact CB-CB 4.19Å; P55-P350 HydrophobicContact CB-CG 3.86Å; P55-P350 HydrophobicContact CG-CG 3.93Å; P55-P350 WeakPolarHBondContact O-CB 3.22Å; P55-L351 VanDerWaalsContact CB-O 3.26Å; P55-L351 WeakPolarHBondContact CB-O 3.3Å; P55-N390 PolarHBondContact O-N 3.04Å; P55-N390 PolarHBondContact O-ND2 2.97Å
56	A	98.4	Very high	97.9	Very high	5 Å²	5	47 Å²	47	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.9	175.8	0	0	0	0	0	112.7	N54 A340 P350 Y386 G389 F391	N54-A56 PolarHBondContact O-N 2.85Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CB 3.33Å; N54-A56 PolarHBondContact OD1-N 2.86Å; A56-A340 HydrophobicContact CB-CB 3.64Å; A56-P350 HydrophobicContact CB-CG 4.12Å; A56-Y386 HydrophobicContact CB-CD1 3.89Å; A56-Y386 HydrophobicContact CB-CE1 4.2Å; A56-Y386 WeakPolarHBondContact O-CB 3.26Å; A56-G389 WeakPolarHBondContact O-CA 3.45Å; A56-G389 PolarHBondContact O-N 3.38Å; A56-F391 HydrophobicContact CB-CZ 4.08Å
57	T	97.9	Very high	97.9	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.184	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-18.4	-178	63.3	0	0	0	0	113.5	N54 E59 Y386	N54-T57 PolarHBondContact O-N 3.22Å; N54-T57 VanDerWaalsContact O-N 3.16Å; T57-E59 PolarHBondContact O-N 3.43Å; T57-E59 WeakPolarHBondContact OG1-CB 3.38Å; T57-E59 PolarHBondContact OG1-N 3.05Å; T57-Y386 HydrophobicContact CG2-CD1 3.88Å; T57-Y386 HydrophobicContact CG2-CE1 4.08Å
58	N	97.3	Very high	98	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	21%	0.209	C	C	.	.			trans	59.3	12.3	-165.9	-80	-44.7	0	0	0	115.1	H53 N54 N388 N390	H53-N58 PolarHBondContact ND1-O 3.27Å; N54-N58 VanDerWaalsContact O-CA 3.24Å; N54-N58 WeakPolarHBondContact O-CA 3.28Å; N54-N58 PolarHBondContact O-N 3.42Å; N58-N388 PolarHBondContact ND2-O 2.91Å; N58-N390 PolarHBondContact ND2-OD1 2.87Å; N58-N390 PolarHBondContact OD1-ND2 2.9Å; N58-N390 PolarHBondContact OD1-OD1 3.01Å
59	E	97.3	Very high	98.1	Very high	129 Å²	129	42.2 Å²	42.2	60%	0.603	21%	0.206	S	C	*	.			trans	-71.3	142	172.9	-65.7	176.5	158.6	0	0	110.9	H53 N54 T57 I61	H53-E59 CarbonylContact C-O 3.58Å; H53-E59 VanDerWaalsContact CA-O 3.29Å; H53-E59 WeakPolarHBondContact CA-O 3.4Å; N54-E59 PolarHBondContact N-O 3.23Å; T57-E59 PolarHBondContact O-N 3.43Å; T57-E59 WeakPolarHBondContact OG1-CB 3.38Å; T57-E59 PolarHBondContact OG1-N 3.05Å; E59-I61 PolarHBondContact O-N 2.89Å
60	V	97.8	Very high	98.1	Very high	53 Å²	53	45.1 Å²	45.1	32%	0.321	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.9	174.1	-178.8	0	0	0	0	108.8	V30 D51 I52	V30-V60 HydrophobicContact CG1-CG1 3.9Å; D51-V60 HydrophobicContact CB-CG1 3.91Å; D51-V60 HydrophobicContact CB-CG2 3.95Å; I52-V60 CarbonylContact O-C 3.51Å; I52-V60 WeakPolarHBondContact O-CA 3.42Å
61	I	97.3	Very high	98.2	Very high	47 Å²	47	44.4 Å²	44.4	24%	0.241	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-25	-177.6	55	171	0	0	0	113	S31 I52 N54 E59 L118 E119	S31-I61 PolarHBondContact OG-O 2.84Å; I52-I61 HydrophobicContact CB-CG1 4.36Å; I52-I61 HydrophobicContact CG2-CD1 4.05Å; I52-I61 HydrophobicContact CG2-CG1 3.93Å; I52-I61 WeakPolarHBondContact O-CG1 3.18Å; I52-I61 PolarHBondContact O-N 2.68Å; N54-I61 HydrophobicContact CB-CD1 4.39Å; N54-I61 HydrophobicContact CB-CG2 3.81Å; E59-I61 PolarHBondContact O-N 2.89Å; I61-L118 HydrophobicContact CD1-CD1 4.21Å; I61-L118 HydrophobicContact CD1-CD2 4.14Å; I61-L118 HydrophobicContact CD1-CG 3.71Å; I61-E119 HydrophobicContact CD1-CG 4Å
62	A	97.9	Very high	98.2	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	174.7	178.9	0	0	0	0	0	110.5	S31 V33 I52	S31-A62 CarbonylContact O-C 3.1Å; S31-A62 VanDerWaalsContact O-CA 3.23Å; S31-A62 WeakPolarHBondContact O-CA 3.47Å; S31-A62 WeakPolarHBondContact OG-CB 3.49Å; V33-A62 HydrophobicContact CG2-CB 4.36Å; I52-A62 HydrophobicContact CB-CB 4.19Å; I52-A62 WeakPolarHBondContact CB-O 3.31Å; I52-A62 HydrophobicContact CD1-CB 3.67Å; I52-A62 HydrophobicContact CG1-CB 4.47Å; I52-A62 PolarHBondContact N-O 3.27Å; I52-A62 PolarHBondContact O-N 3.46Å
63	R	98.2	Very high	98.2	Very high	107 Å²	107	44.1 Å²	44.1	40%	0.404	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.2	170.3	-73.8	-179.5	171.3	173	1.2	111.3	V30 S31 T32 V33 W49 L50 D51	V30-R63 HydrophobicContact CG1-CG 4.09Å; S31-R63 PolarHBondContact O-N 2.81Å; T32-R63 CarbonylContact C-O 3.42Å; T32-R63 WeakPolarHBondContact CA-O 3.28Å; T32-R63 HydrophobicContact CG2-CB 4.49Å; V33-R63 PolarHBondContact N-O 3.29Å; W49-R63 HydrophobicContact CB-CB 4.37Å; W49-R63 HydrophobicContact CE3-CB 3.97Å; L50-R63 CarbonylContact O-C 3.5Å; L50-R63 VanDerWaalsContact O-CA 3.25Å; L50-R63 WeakPolarHBondContact O-CA 3.21Å; D51-R63 WeakPolarHBondContact OD1-CG 3.41Å; D51-R63 IonicContact OD1-CZ 3.26Å; D51-R63 IonicContact OD1-NE 2.76Å; D51-R63 PolarHBondContact OD1-NE 2.94Å; D51-R63 IonicContact OD1-NH2 3.44Å; D51-R63 PolarHBondContact OD1-NH2 3.44Å
64	V	98.4	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.7	175.2	67.4	0	0	0	0	110.4	V33 L50 I52 E205 P208 H232	V33-V64 HydrophobicContact CB-CB 4.29Å; V33-V64 HydrophobicContact CB-CG2 4.2Å; V33-V64 HydrophobicContact CG1-CG2 4.39Å; L50-V64 HydrophobicContact CB-CG1 3.83Å; L50-V64 PolarHBondContact N-O 3.12Å; L50-V64 PolarHBondContact O-N 2.81Å; I52-V64 HydrophobicContact CD1-CB 4.05Å; I52-V64 HydrophobicContact CD1-CG1 4.48Å; I52-V64 HydrophobicContact CG1-CB 4.39Å; I52-V64 HydrophobicContact CG1-CG1 4.3Å; V64-E205 HydrophobicContact CG1-CB 3.87Å; V64-E205 WeakPolarHBondContact CG1-O 3.35Å; V64-P208 HydrophobicContact CB-CG 4.31Å; V64-P208 HydrophobicContact CG2-CB 4.3Å; V64-P208 HydrophobicContact CG2-CG 4.18Å; V64-H232 HydrophobicContact CG2-CB 3.43Å; V64-H232 VanDerWaalsContact CG2-CB 3.43Å
65	P	98.4	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	149.1	-177.2	29.6	-34.2	0	0	0	111.2	V33 L35 S44 W49 A67 H232	V33-P65 WeakPolarHBondContact O-CD 3.33Å; L35-P65 HydrophobicContact CD2-CG 4.16Å; L35-P65 HydrophobicContact CG-CG 4.48Å; S44-P65 VanDerWaalsContact CB-CB 3.41Å; S44-P65 WeakPolarHBondContact OG-CB 3.09Å; W49-P65 HydrophobicContact CD2-CB 4.34Å; W49-P65 HydrophobicContact CE3-CB 3.96Å; W49-P65 HydrophobicContact CH2-CB 3.96Å; W49-P65 HydrophobicContact CH2-CG 4.32Å; W49-P65 HydrophobicContact CZ2-CB 4.3Å; W49-P65 HydrophobicContact CZ3-CB 3.77Å; W49-P65 HydrophobicContact CZ3-CG 4.01Å; P65-A67 PolarHBondContact O-N 3.35Å; P65-H232 HydrophobicContact CG-CB 4.42Å; P65-H232 CarbonylContact O-C 3.6Å; P65-H232 VanDerWaalsContact O-CB 3.24Å; P65-H232 WeakPolarHBondContact O-CB 3.43Å
66	K	98.5	Very high	98.3	Very high	62 Å²	62	41.3 Å²	41.3	27%	0.27	21%	0.21	S	C	.	.			trans	-81.3	104.1	153.2	-61.7	-173.7	-166.1	165.5	0	107.1	S46 E48 L50 T68	S46-K66 WeakPolarHBondContact CB-O 3.37Å; S46-K66 PolarHBondContact OG-O 3.39Å; E48-K66 HydrophobicContact CB-CB 4.1Å; E48-K66 HydrophobicContact CB-CD 3.94Å; E48-K66 HydrophobicContact CB-CG 4.22Å; E48-K66 PolarHBondContact O-N 3.42Å; E48-K66 WeakPolarHBondContact OE2-CD 3.31Å; E48-K66 IonicContact OE2-NZ 3.55Å; E48-K66 PolarHBondContact OE2-NZ 3.04Å; L50-K66 HydrophobicContact CD1-CG 4.09Å; L50-K66 HydrophobicContact CG-CG 4.13Å; K66-T68 PolarHBondContact O-N 3.47Å
67	A	98.6	Very high	98.4	Very high	11 Å²	11	44.7 Å²	44.7	9%	0.091	23%	0.228	C	C	.	.			trans	-55.3	136.5	-176	0	0	0	0	0	111.3	L35 P65 E71 M72 I231 H232	L35-A67 HydrophobicContact CD2-CB 4.07Å; P65-A67 PolarHBondContact O-N 3.35Å; A67-E71 WeakPolarHBondContact CA-OE2 3.44Å; A67-E71 HydrophobicContact CB-CB 4.45Å; A67-M72 HydrophobicContact CB-CG 3.96Å; A67-I231 HydrophobicContact CB-CB 4.43Å; A67-H232 WeakPolarHBondContact CB-O 3.3Å; A67-H232 PolarHBondContact N-O 2.87Å
68	T	98.7	Very high	98.4	Very high	33 Å²	33	43.3 Å²	43.3	20%	0.202	22%	0.219	C	C	.	.			trans	-69.3	162.2	175.7	60.2	0	0	0	0	110.9	K66 E70 E71 M72	K66-T68 PolarHBondContact O-N 3.47Å; T68-E70 VanDerWaalsContact C-N 3.25Å; T68-E70 PolarHBondContact O-N 3.08Å; T68-E71 PolarHBondContact N-OE2 2.8Å; T68-E71 PolarHBondContact O-N 2.92Å; T68-E71 WeakPolarHBondContact OG1-CB 3.11Å; T68-E71 WeakPolarHBondContact OG1-CG 3.32Å; T68-E71 PolarHBondContact OG1-N 3.26Å; T68-E71 PolarHBondContact OG1-OE2 3.18Å; T68-M72 WeakPolarHBondContact O-CG 3.43Å; T68-M72 PolarHBondContact O-N 2.76Å
69	Q	98.6	Very high	98.5	Very high	91 Å²	91	41.6 Å²	41.6	43%	0.425	21%	0.21	S	C	.	.	H	α-helix	trans	-59.6	-39.9	177.2	-178	61.8	28.3	0	0	111.5	M72 L73	Q69-M72 PolarHBondContact O-N 3.07Å; Q69-L73 HydrophobicContact CG-CD1 4.1Å; Q69-L73 WeakPolarHBondContact O-CB 3.33Å; Q69-L73 VanDerWaalsContact O-CG 3.3Å; Q69-L73 WeakPolarHBondContact O-CG 3.46Å; Q69-L73 PolarHBondContact O-N 3.47Å
70	E	98.8	Very high	98.6	Very high	135 Å²	135	37.2 Å²	37.2	63%	0.631	19%	0.193	S	C	*	.	H	α-helix	trans	-64.3	-40.2	179.1	-65.1	72.2	-159.4	0	0	111.8	T68 A74	T68-E70 VanDerWaalsContact C-N 3.25Å; T68-E70 PolarHBondContact O-N 3.08Å; E70-A74 WeakPolarHBondContact O-CB 3.3Å; E70-A74 PolarHBondContact O-N 2.95Å
71	E	98.8	Very high	98.6	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-40.5	176.4	-73.1	162.6	159.4	0	0	112	L35 S44 K45 A67 T68 A74 A75	L35-E71 HydrophobicContact CD1-CB 3.82Å; L35-E71 VanDerWaalsContact CD1-CD 3.48Å; L35-E71 HydrophobicContact CD1-CG 3.79Å; S44-E71 WeakPolarHBondContact CA-OE1 3.41Å; S44-E71 WeakPolarHBondContact CB-OE1 3.5Å; S44-E71 VanDerWaalsContact OG-CD 3.29Å; S44-E71 PolarHBondContact OG-OE1 2.68Å; S44-E71 PolarHBondContact OG-OE2 2.89Å; K45-E71 PolarHBondContact N-OE1 3.33Å; A67-E71 WeakPolarHBondContact CA-OE2 3.44Å; A67-E71 HydrophobicContact CB-CB 4.45Å; T68-E71 PolarHBondContact N-OE2 2.8Å; T68-E71 PolarHBondContact O-N 2.92Å; T68-E71 WeakPolarHBondContact OG1-CB 3.11Å; T68-E71 WeakPolarHBondContact OG1-CG 3.32Å; T68-E71 PolarHBondContact OG1-N 3.26Å; T68-E71 PolarHBondContact OG1-OE2 3.18Å; E71-A74 PolarHBondContact O-N 2.84Å; E71-A75 WeakPolarHBondContact O-CB 3.19Å; E71-A75 PolarHBondContact O-N 2.83Å
72	M	98.8	Very high	98.7	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.2	-68.8	-171.1	-68.7	0	0	111.8	A67 T68 Q69 A75 V76 I231 A237 F240	A67-M72 HydrophobicContact CB-CG 3.96Å; T68-M72 WeakPolarHBondContact O-CG 3.43Å; T68-M72 PolarHBondContact O-N 2.76Å; Q69-M72 PolarHBondContact O-N 3.07Å; M72-A75 PolarHBondContact O-N 3.37Å; M72-V76 PolarHBondContact O-N 3.18Å; M72-V76 VanDerWaalsContact O-N 3.15Å; M72-I231 HydrophobicContact CG-CD1 3.86Å; M72-I231 HydrophobicContact SD-CD1 4.17Å; M72-A237 VanDerWaalsContact SD-CA 3.57Å; M72-A237 HydrophobicContact SD-CB 3.99Å; M72-F240 VanDerWaalsContact C-CZ 3.41Å; M72-F240 HydrophobicContact CB-CD1 3.8Å; M72-F240 HydrophobicContact CB-CD2 3.94Å; M72-F240 HydrophobicContact CB-CE1 3.72Å; M72-F240 HydrophobicContact CB-CE2 3.85Å; M72-F240 HydrophobicContact CB-CG 3.92Å; M72-F240 HydrophobicContact CB-CZ 3.75Å; M72-F240 HydrophobicContact CE-CB 4.09Å; M72-F240 HydrophobicContact CE-CD2 4.35Å; M72-F240 HydrophobicContact CE-CG 4.26Å; M72-F240 HydrophobicContact CG-CD1 4.35Å; M72-F240 HydrophobicContact CG-CG 4.44Å; M72-F240 WeakPolarHBondContact O-CE1 3.33Å; M72-F240 VanDerWaalsContact O-CZ 3.23Å; M72-F240 WeakPolarHBondContact O-CZ 3.02Å; M72-F240 HydrophobicContact SD-CB 3.7Å; M72-F240 HydrophobicContact SD-CD1 4.09Å; M72-F240 HydrophobicContact SD-CD2 4.4Å; M72-F240 HydrophobicContact SD-CG 3.81Å
73	L	98.9	Very high	98.7	Very high	60 Å²	60	41.4 Å²	41.4	31%	0.314	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-47.6	172.7	-73.4	168.6	0	0	0	111.3	Q69 A75 V76 D77 F240	Q69-L73 HydrophobicContact CG-CD1 4.1Å; Q69-L73 WeakPolarHBondContact O-CB 3.33Å; Q69-L73 VanDerWaalsContact O-CG 3.3Å; Q69-L73 WeakPolarHBondContact O-CG 3.46Å; Q69-L73 PolarHBondContact O-N 3.47Å; L73-A75 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.28Å; L73-V76 PolarHBondContact O-N 3.19Å; L73-D77 WeakPolarHBondContact O-CB 3.26Å; L73-D77 VanDerWaalsContact O-CG 3.29Å; L73-D77 PolarHBondContact O-N 3.21Å; L73-F240 HydrophobicContact CD2-CE2 3.95Å; L73-F240 HydrophobicContact CD2-CZ 4.39Å; L73-F240 HydrophobicContact CG-CE2 4.17Å
74	A	98.9	Very high	98.7	Very high	42 Å²	42	45.9 Å²	45.9	35%	0.347	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-39.9	178.5	0	0	0	0	0	112.6	E70 E71 S78	E70-A74 WeakPolarHBondContact O-CB 3.3Å; E70-A74 PolarHBondContact O-N 2.95Å; E71-A74 PolarHBondContact O-N 2.84Å; A74-S78 WeakPolarHBondContact O-CB 3.47Å; A74-S78 PolarHBondContact O-N 3.08Å
75	A	98.9	Very high	98.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-46.7	176.5	0	0	0	0	0	112.4	I37 E71 M72 L73 S78 C79 L200 N229 I231	I37-A75 HydrophobicContact CD1-CB 4.18Å; I37-A75 HydrophobicContact CG1-CB 4.09Å; E71-A75 WeakPolarHBondContact O-CB 3.19Å; E71-A75 PolarHBondContact O-N 2.83Å; M72-A75 PolarHBondContact O-N 3.37Å; L73-A75 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.28Å; A75-S78 WeakPolarHBondContact O-CB 3.42Å; A75-S78 PolarHBondContact O-N 3.07Å; A75-C79 PolarHBondContact O-N 2.85Å; A75-C79 PolarHBondContact O-SG 3.38Å; A75-L200 HydrophobicContact CB-CD1 3.78Å; A75-N229 HydrophobicContact CB-CB 4.03Å; A75-N229 PolarHBondContact O-ND2 3.31Å; A75-I231 HydrophobicContact CB-CG2 3.64Å
76	V	98.9	Very high	98.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-37.6	177.2	161.5	0	0	0	0	112.5	M72 L73 S78 C79 S80 L200 F240 H244 A246 I247	M72-V76 PolarHBondContact O-N 3.18Å; M72-V76 VanDerWaalsContact O-N 3.15Å; L73-V76 PolarHBondContact O-N 3.19Å; V76-S78 VanDerWaalsContact C-N 3.31Å; V76-C79 WeakPolarHBondContact O-CB 3.38Å; V76-C79 PolarHBondContact O-N 3.23Å; V76-S80 WeakPolarHBondContact O-CB 3.35Å; V76-S80 PolarHBondContact O-N 3.12Å; V76-S80 PolarHBondContact O-OG 3.04Å; V76-L200 HydrophobicContact CG2-CD2 3.63Å; V76-F240 HydrophobicContact CB-CE1 4.43Å; V76-F240 HydrophobicContact CB-CZ 4.21Å; V76-F240 HydrophobicContact CG2-CE1 3.53Å; V76-F240 HydrophobicContact CG2-CZ 3.76Å; V76-H244 WeakPolarHBondContact CG1-CE1 3.45Å; V76-A246 HydrophobicContact CG1-CB 3.71Å; V76-I247 HydrophobicContact CG2-CD1 4.14Å; V76-I247 HydrophobicContact CG2-CG1 4.34Å
77	D	98.9	Very high	98.6	Very high	76 Å²	76	47.7 Å²	47.7	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-39	177	-73.2	-19.1	0	0	0	110.6	L73 S80 R81	L73-D77 WeakPolarHBondContact O-CB 3.26Å; L73-D77 VanDerWaalsContact O-CG 3.29Å; L73-D77 PolarHBondContact O-N 3.21Å; D77-S80 PolarHBondContact O-N 3.1Å; D77-R81 WeakPolarHBondContact O-CG 3.48Å; D77-R81 PolarHBondContact O-N 2.94Å; D77-R81 PolarHBondContact O-NH1 2.92Å
78	S	98.9	Very high	98.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-50.4	171.1	175.4	0	0	0	0	111.4	D38 A74 A75 V76 S80 R81 A82 G226 N229	D38-S78 WeakPolarHBondContact CA-OG 3.24Å; D38-S78 PolarHBondContact OD1-OG 3.5Å; A74-S78 WeakPolarHBondContact O-CB 3.47Å; A74-S78 PolarHBondContact O-N 3.08Å; A75-S78 WeakPolarHBondContact O-CB 3.42Å; A75-S78 PolarHBondContact O-N 3.07Å; V76-S78 VanDerWaalsContact C-N 3.31Å; S78-S80 VanDerWaalsContact C-N 3.28Å; S78-S80 PolarHBondContact O-N 2.87Å; S78-R81 PolarHBondContact O-N 3.2Å; S78-A82 WeakPolarHBondContact O-CB 3.47Å; S78-A82 PolarHBondContact O-N 3.01Å; S78-G226 WeakPolarHBondContact OG-CA 3.05Å; S78-N229 PolarHBondContact OG-ND2 2.76Å; S78-N229 PolarHBondContact OG-OD1 2.85Å
79	C	98.9	Very high	98.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-53.8	-44.1	173.5	-73.3	0	0	0	0	112.5	A75 V76 F83 V171 T198 Y199 G226 N229	A75-C79 PolarHBondContact O-N 2.85Å; A75-C79 PolarHBondContact O-SG 3.38Å; V76-C79 WeakPolarHBondContact O-CB 3.38Å; V76-C79 PolarHBondContact O-N 3.23Å; C79-F83 WeakPolarHBondContact O-CB 3.19Å; C79-F83 PolarHBondContact O-N 3.36Å; C79-V171 HydrophobicContact CB-CB 4.36Å; C79-V171 HydrophobicContact CB-CG1 3.65Å; C79-V171 HydrophobicContact CB-CG2 3.79Å; C79-T198 WeakPolarHBondContact CB-OG1 3.49Å; C79-T198 WeakPolarHBondContact O-CB 3.32Å; C79-T198 WeakPolarHBondContact O-CG2 3.36Å; C79-T198 PolarHBondContact O-OG1 3.43Å; C79-Y199 PolarHBondContact SG-O 3.04Å; C79-G226 WeakPolarHBondContact CA-O 3.42Å; C79-N229 PolarHBondContact SG-ND2 2.82Å
80	S	98.8	Very high	98.5	Very high	37 Å²	37	53.3 Å²	53.3	26%	0.259	27%	0.271	S	S	.	.	H	α-helix	trans	-70.4	-37.1	-175.9	-58.6	0	0	0	0	112.4	V76 D77 S78	V76-S80 WeakPolarHBondContact O-CB 3.35Å; V76-S80 PolarHBondContact O-N 3.12Å; V76-S80 PolarHBondContact O-OG 3.04Å; D77-S80 PolarHBondContact O-N 3.1Å; S78-S80 VanDerWaalsContact C-N 3.28Å; S78-S80 PolarHBondContact O-N 2.87Å
81	R	98.8	Very high	98.4	Very high	135 Å²	135	49.3 Å²	49.3	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-49.4	174.1	-72.1	-171.3	-53.1	-89.1	2.7	111.1	D38 D77 S78 F83 R84	D38-R81 IonicContact OD1-NH2 3.55Å; D77-R81 WeakPolarHBondContact O-CG 3.48Å; D77-R81 PolarHBondContact O-N 2.94Å; D77-R81 PolarHBondContact O-NH1 2.92Å; S78-R81 PolarHBondContact O-N 3.2Å; R81-F83 VanDerWaalsContact C-N 3.27Å; R81-F83 PolarHBondContact O-N 3.25Å; R81-R84 PolarHBondContact O-N 3.38Å
82	A	98.8	Very high	98.3	Very high	11 Å²	11	53.4 Å²	53.4	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-30	-178.1	0	0	0	0	0	112.8	S78 R84 S85 W86 T198 D225 T227	S78-A82 WeakPolarHBondContact O-CB 3.47Å; S78-A82 PolarHBondContact O-N 3.01Å; A82-R84 PolarHBondContact O-N 2.72Å; A82-S85 PolarHBondContact O-N 3.23Å; A82-S85 PolarHBondContact O-OG 2.94Å; A82-W86 VanDerWaalsContact O-CB 3.24Å; A82-W86 WeakPolarHBondContact O-CB 2.94Å; A82-W86 PolarHBondContact O-N 2.9Å; A82-T198 HydrophobicContact CB-CG2 4.05Å; A82-D225 WeakPolarHBondContact CB-O 3.41Å; A82-T227 HydrophobicContact CB-CG2 4.21Å
83	F	98.9	Very high	98.3	Very high	49 Å²	49	56 Å²	56	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-37.9	178.8	179.2	-112.1	0	0	0	113.1	C79 R81 S85 W86 S87 P168 G170 G196 T198	C79-F83 WeakPolarHBondContact O-CB 3.19Å; C79-F83 PolarHBondContact O-N 3.36Å; R81-F83 VanDerWaalsContact C-N 3.27Å; R81-F83 PolarHBondContact O-N 3.25Å; F83-S85 VanDerWaalsContact C-N 3.29Å; F83-S85 PolarHBondContact O-N 3.36Å; F83-W86 PolarHBondContact O-N 3.46Å; F83-S87 WeakPolarHBondContact O-CB 3.44Å; F83-S87 PolarHBondContact O-N 3.25Å; F83-S87 PolarHBondContact O-OG 3.45Å; F83-P168 HydrophobicContact CE2-CB 4.01Å; F83-P168 HydrophobicContact CE2-CG 4.12Å; F83-P168 HydrophobicContact CZ-CB 4.42Å; F83-P168 HydrophobicContact CZ-CG 4.29Å; F83-G170 VanDerWaalsContact CE2-CA 3.49Å; F83-G170 VanDerWaalsContact CZ-CA 3.49Å; F83-G196 WeakPolarHBondContact CE2-O 3.49Å; F83-T198 HydrophobicContact CB-CG2 3.92Å
84	R	96.8	Very high	98.3	Very high	201 Å²	201	53.8 Å²	53.8	76%	0.758	28%	0.282	S	S	*	.	H	α-helix	trans	-60.1	-35.7	-176.2	-63.6	-178.7	-177.7	177.7	0.2	113.6	R81 A82	R81-R84 PolarHBondContact O-N 3.38Å; A82-R84 PolarHBondContact O-N 2.72Å
85	S	97.8	Very high	98.3	Very high	75 Å²	75	53.3 Å²	53.3	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-95.4	-32.8	177.6	53.2	0	0	0	0	112	A82 F83 E88 T89	A82-S85 PolarHBondContact O-N 3.23Å; A82-S85 PolarHBondContact O-OG 2.94Å; F83-S85 VanDerWaalsContact C-N 3.29Å; F83-S85 PolarHBondContact O-N 3.36Å; S85-E88 PolarHBondContact O-N 3.43Å; S85-T89 PolarHBondContact O-N 3.16Å; S85-T89 VanDerWaalsContact O-N 3.14Å; S85-T89 PolarHBondContact O-OG1 3.16Å
86	W	98.6	Very high	98.3	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-37.7	-179.7	-177.5	-118.5	0	0	0	113.2	A82 F83 E88 T89 R94 I97 M193 G196 N197 T198 P224 T227	A82-W86 VanDerWaalsContact O-CB 3.24Å; A82-W86 WeakPolarHBondContact O-CB 2.94Å; A82-W86 PolarHBondContact O-N 2.9Å; F83-W86 PolarHBondContact O-N 3.46Å; W86-E88 PolarHBondContact O-N 2.77Å; W86-T89 HydrophobicContact CE3-CG2 4.15Å; W86-T89 HydrophobicContact CZ3-CG2 3.97Å; W86-T89 WeakPolarHBondContact O-CB 3.42Å; W86-T89 PolarHBondContact O-N 3.13Å; W86-R94 HydrophobicContact CE3-CG 4.46Å; W86-R94 HydrophobicContact CH2-CB 3.95Å; W86-R94 HydrophobicContact CH2-CG 3.5Å; W86-R94 HydrophobicContact CZ2-CB 4.16Å; W86-R94 VanDerWaalsContact CZ2-CD 3.47Å; W86-R94 HydrophobicContact CZ2-CG 3.68Å; W86-R94 HydrophobicContact CZ3-CG 3.91Å; W86-I97 HydrophobicContact CH2-CD1 3.73Å; W86-I97 HydrophobicContact CZ3-CD1 3.77Å; W86-M193 WeakPolarHBondContact CZ2-O 3.06Å; W86-M193 PolarHBondContact NE1-O 3.46Å; W86-G196 VanDerWaalsContact CD1-C 3.48Å; W86-N197 PolarHBondContact NE1-O 2.91Å; W86-T198 HydrophobicContact CB-CG2 4.47Å; W86-P224 HydrophobicContact CE3-CG 3.98Å; W86-P224 HydrophobicContact CZ3-CG 4.07Å; W86-T227 HydrophobicContact CB-CG2 3.96Å; W86-T227 HydrophobicContact CD2-CG2 3.92Å; W86-T227 HydrophobicContact CE3-CG2 4.26Å; W86-T227 HydrophobicContact CG-CG2 3.79Å
87	S	98.4	Very high	98.2	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.1	176.2	66	0	0	0	0	112.3	F83	F83-S87 WeakPolarHBondContact O-CB 3.44Å; F83-S87 PolarHBondContact O-N 3.25Å; F83-S87 PolarHBondContact O-OG 3.45Å
88	E	97.6	Very high	98.2	Very high	154 Å²	154	55.9 Å²	55.9	72%	0.72	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.8	-179.6	-54.8	-49.5	119.9	0	0	113.3	S85 W86 S90	S85-E88 PolarHBondContact O-N 3.43Å; W86-E88 PolarHBondContact O-N 2.77Å; E88-S90 PolarHBondContact O-N 3Å
89	T	98.1	Very high	98.2	Very high	38 Å²	38	58.6 Å²	58.6	23%	0.233	30%	0.297	C	S	.	.	S	Bend	trans	-63	131.9	175.7	-63.7	0	0	0	0	109.4	S85 W86 R94	S85-T89 PolarHBondContact O-N 3.16Å; S85-T89 VanDerWaalsContact O-N 3.14Å; S85-T89 PolarHBondContact O-OG1 3.16Å; W86-T89 HydrophobicContact CE3-CG2 4.15Å; W86-T89 HydrophobicContact CZ3-CG2 3.97Å; W86-T89 WeakPolarHBondContact O-CB 3.42Å; W86-T89 PolarHBondContact O-N 3.13Å; T89-R94 HydrophobicContact CG2-CG 3.91Å; T89-R94 PolarHBondContact O-NH1 3.44Å
90	S	97.5	Very high	98.2	Very high	61 Å²	61	61.7 Å²	61.7	43%	0.427	32%	0.318	S	S	.	.			trans	-56.5	146	-176.5	89.7	0	0	0	0	111.9	E88 L92 S93 R94	E88-S90 PolarHBondContact O-N 3Å; S90-L92 PolarHBondContact O-N 3.42Å; S90-S93 WeakPolarHBondContact O-CB 3.49Å; S90-S93 PolarHBondContact O-N 3.01Å; S90-S93 WeakPolarHBondContact OG-CB 3.41Å; S90-S93 PolarHBondContact OG-N 2.66Å; S90-S93 VanDerWaalsContact OG-N 3.12Å; S90-S93 PolarHBondContact OG-OG 2.78Å; S90-R94 PolarHBondContact O-N 3.2Å
91	I	96.4	Very high	98.2	Very high	51 Å²	51	60 Å²	60	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-58.5	-34.1	-179.5	-168.1	163.1	0	0	0	112.9	R94 Q95 I144 T145 M148	I91-R94 PolarHBondContact O-N 3Å; I91-Q95 WeakPolarHBondContact O-CB 3.22Å; I91-Q95 PolarHBondContact O-N 3.29Å; I91-I144 HydrophobicContact CD1-CG1 4.17Å; I91-I144 HydrophobicContact CD1-CG2 4.43Å; I91-I144 HydrophobicContact CG1-CG1 4.25Å; I91-I144 HydrophobicContact CG1-CG2 3.87Å; I91-T145 HydrophobicContact CG1-CG2 4.37Å; I91-T145 HydrophobicContact CG2-CG2 4.42Å; I91-M148 HydrophobicContact CD1-CB 3.49Å; I91-M148 VanDerWaalsContact CD1-CB 3.49Å; I91-M148 HydrophobicContact CD1-CG 3.65Å
92	L	97.6	Very high	98.2	Very high	103 Å²	103	55.3 Å²	55.3	54%	0.539	29%	0.289	S	S	.	.	H	α-helix	trans	-69.1	-40.2	176.2	-67.2	174.3	0	0	0	111.5	S90 Q95 Q96 T145	S90-L92 PolarHBondContact O-N 3.42Å; L92-Q95 WeakPolarHBondContact O-CB 3.46Å; L92-Q95 PolarHBondContact O-N 2.81Å; L92-Q96 WeakPolarHBondContact O-CG 3.4Å; L92-Q96 PolarHBondContact O-N 2.74Å; L92-T145 HydrophobicContact CD2-CG2 3.71Å
93	S	98.1	Very high	98.2	Very high	59 Å²	59	58.7 Å²	58.7	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-43.2	175.4	-57.3	0	0	0	0	111.3	S90 Q95 Q96 I97	S90-S93 WeakPolarHBondContact O-CB 3.49Å; S90-S93 PolarHBondContact O-N 3.01Å; S90-S93 WeakPolarHBondContact OG-CB 3.41Å; S90-S93 PolarHBondContact OG-N 2.66Å; S90-S93 VanDerWaalsContact OG-N 3.12Å; S90-S93 PolarHBondContact OG-OG 2.78Å; S93-Q95 PolarHBondContact O-N 3.07Å; S93-Q96 PolarHBondContact O-N 2.75Å; S93-I97 PolarHBondContact O-N 2.92Å
94	R	98.5	Very high	98.2	Very high	14 Å²	14	58.6 Å²	58.6	5%	0.053	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-45.1	173.8	-59.9	-160.2	-64	-97.1	-0.6	111.3	W86 T89 S90 I91 Q96 I97 F98 V194	W86-R94 HydrophobicContact CE3-CG 4.46Å; W86-R94 HydrophobicContact CH2-CB 3.95Å; W86-R94 HydrophobicContact CH2-CG 3.5Å; W86-R94 HydrophobicContact CZ2-CB 4.16Å; W86-R94 VanDerWaalsContact CZ2-CD 3.47Å; W86-R94 HydrophobicContact CZ2-CG 3.68Å; W86-R94 HydrophobicContact CZ3-CG 3.91Å; T89-R94 HydrophobicContact CG2-CG 3.91Å; T89-R94 PolarHBondContact O-NH1 3.44Å; S90-R94 PolarHBondContact O-N 3.2Å; I91-R94 PolarHBondContact O-N 3Å; R94-Q96 VanDerWaalsContact C-N 3.35Å; R94-Q96 PolarHBondContact O-N 3.19Å; R94-I97 PolarHBondContact O-N 3.41Å; R94-F98 WeakPolarHBondContact O-CD2 3.44Å; R94-F98 PolarHBondContact O-N 2.98Å; R94-V194 PolarHBondContact NE-O 3.34Å
95	Q	98.6	Very high	98.3	Very high	32 Å²	32	49 Å²	49	15%	0.15	27%	0.269	C	S	.	.	H	α-helix	trans	-57	-44.4	177.2	-177	-172.7	46	0	0	112.5	I91 L92 S93 I97 F98 L99 C142 I144	I91-Q95 WeakPolarHBondContact O-CB 3.22Å; I91-Q95 PolarHBondContact O-N 3.29Å; L92-Q95 WeakPolarHBondContact O-CB 3.46Å; L92-Q95 PolarHBondContact O-N 2.81Å; S93-Q95 PolarHBondContact O-N 3.07Å; Q95-I97 VanDerWaalsContact C-N 3.34Å; Q95-I97 PolarHBondContact O-N 2.92Å; Q95-F98 PolarHBondContact O-N 2.84Å; Q95-F98 VanDerWaalsContact O-N 3.14Å; Q95-L99 HydrophobicContact CG-CD1 4.09Å; Q95-L99 HydrophobicContact CG-CG 4.38Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 2.86Å; Q95-C142 WeakPolarHBondContact CG-O 3.36Å; Q95-C142 PolarHBondContact NE2-O 3.39Å; Q95-I144 HydrophobicContact CB-CG2 3.94Å; Q95-I144 HydrophobicContact CG-CG2 4.38Å
96	Q	98.6	Very high	98.4	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-40.2	-179.3	-70.1	-55.5	-42.8	0	0	112.7	L92 S93 R94 F98 L99 C100	L92-Q96 WeakPolarHBondContact O-CG 3.4Å; L92-Q96 PolarHBondContact O-N 2.74Å; S93-Q96 PolarHBondContact O-N 2.75Å; R94-Q96 VanDerWaalsContact C-N 3.35Å; R94-Q96 PolarHBondContact O-N 3.19Å; Q96-F98 VanDerWaalsContact C-N 3.3Å; Q96-F98 PolarHBondContact O-N 2.81Å; Q96-L99 PolarHBondContact O-N 3.07Å; Q96-C100 PolarHBondContact O-N 2.89Å; Q96-C100 PolarHBondContact O-SG 2.76Å
97	I	98.7	Very high	98.4	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-45.8	174.2	-68.1	162.5	0	0	0	110.2	W86 S93 R94 Q95 L99 C100 Y101 L218 A221 A223	W86-I97 HydrophobicContact CH2-CD1 3.73Å; W86-I97 HydrophobicContact CZ3-CD1 3.77Å; S93-I97 PolarHBondContact O-N 2.92Å; R94-I97 PolarHBondContact O-N 3.41Å; Q95-I97 VanDerWaalsContact C-N 3.34Å; Q95-I97 PolarHBondContact O-N 2.92Å; I97-L99 PolarHBondContact O-N 2.84Å; I97-C100 PolarHBondContact O-N 3.14Å; I97-Y101 WeakPolarHBondContact O-CB 3.28Å; I97-Y101 PolarHBondContact O-N 2.91Å; I97-L218 HydrophobicContact CG2-CD1 4.48Å; I97-A221 HydrophobicContact CG2-CB 4.23Å; I97-A223 HydrophobicContact CG2-CB 4.17Å
98	F	98.7	Very high	98.4	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-71.5	-29.1	179.9	-77.8	-78.7	0	0	0	113.6	R94 Q95 Q96 Y101 Q102 V138 C142 P190 M193 V194 L218	R94-F98 WeakPolarHBondContact O-CD2 3.44Å; R94-F98 PolarHBondContact O-N 2.98Å; Q95-F98 PolarHBondContact O-N 2.84Å; Q95-F98 VanDerWaalsContact O-N 3.14Å; Q96-F98 VanDerWaalsContact C-N 3.3Å; Q96-F98 PolarHBondContact O-N 2.81Å; F98-Y101 HydrophobicContact CD1-CD1 4.01Å; F98-Y101 HydrophobicContact CE1-CD1 4.18Å; F98-Y101 PolarHBondContact O-N 3.3Å; F98-Q102 WeakPolarHBondContact O-CG 3.38Å; F98-Q102 PolarHBondContact O-N 3.19Å; F98-V138 HydrophobicContact CD1-CG1 4.13Å; F98-C142 VanDerWaalsContact C-SG 3.56Å; F98-P190 HydrophobicContact CD1-CB 4.25Å; F98-P190 HydrophobicContact CE1-CB 3.69Å; F98-M193 HydrophobicContact CE2-CB 4.2Å; F98-M193 HydrophobicContact CZ-CB 3.72Å; F98-V194 HydrophobicContact CD2-CB 3.73Å; F98-V194 HydrophobicContact CD2-CG2 3.56Å; F98-V194 HydrophobicContact CE2-CB 3.68Å; F98-V194 HydrophobicContact CE2-CG2 4.01Å; F98-V194 HydrophobicContact CG-CB 4.36Å; F98-V194 HydrophobicContact CG-CG2 4.18Å; F98-V194 HydrophobicContact CZ-CB 4.28Å; F98-L218 HydrophobicContact CE1-CD1 4.16Å; F98-L218 HydrophobicContact CZ-CD1 4.34Å
99	L	98.8	Very high	98.4	Very high	57 Å²	57	51.8 Å²	51.8	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-40	170.1	-74.2	169.9	0	0	0	111.9	Q95 Q96 I97 Q102 C142	Q95-L99 HydrophobicContact CG-CD1 4.09Å; Q95-L99 HydrophobicContact CG-CG 4.38Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 2.86Å; Q96-L99 PolarHBondContact O-N 3.07Å; I97-L99 PolarHBondContact O-N 2.84Å; L99-Q102 WeakPolarHBondContact O-CG 3.47Å; L99-C142 HydrophobicContact CD2-CB 3.77Å; L99-C142 HydrophobicContact CG-CB 4.23Å
100	C	98.8	Very high	98.4	Very high	65 Å²	65	57.2 Å²	57.2	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-41.7	171.2	-67.6	0	0	0	0	111.3	Q96 I97 Q103 L104 A221	Q96-C100 PolarHBondContact O-N 2.89Å; Q96-C100 PolarHBondContact O-SG 2.76Å; I97-C100 PolarHBondContact O-N 3.14Å; C100-Q103 PolarHBondContact O-N 2.99Å; C100-L104 PolarHBondContact O-N 3.09Å; C100-A221 HydrophobicContact CB-CB 4.06Å
101	Y	98.9	Very high	98.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-45.3	-177.4	-175.3	-129.6	0	0	0	113.1	I97 F98 Q103 L104 I105 V138 L186 F189 P190 L214 M217 L218 A221	I97-Y101 WeakPolarHBondContact O-CB 3.28Å; I97-Y101 PolarHBondContact O-N 2.91Å; F98-Y101 HydrophobicContact CD1-CD1 4.01Å; F98-Y101 HydrophobicContact CE1-CD1 4.18Å; F98-Y101 PolarHBondContact O-N 3.3Å; Y101-Q103 PolarHBondContact O-N 3.15Å; Y101-L104 PolarHBondContact O-N 3.3Å; Y101-I105 HydrophobicContact CD1-CD1 4.06Å; Y101-I105 HydrophobicContact CD2-CD1 4.49Å; Y101-I105 HydrophobicContact CD2-CG1 4.44Å; Y101-I105 HydrophobicContact CE1-CD1 3.6Å; Y101-I105 HydrophobicContact CE1-CG1 4.46Å; Y101-I105 HydrophobicContact CE2-CD1 4.06Å; Y101-I105 HydrophobicContact CE2-CG1 4.04Å; Y101-I105 HydrophobicContact CG-CD1 4.48Å; Y101-I105 PolarHBondContact O-N 2.81Å; Y101-V138 HydrophobicContact CD1-CG1 3.64Å; Y101-V138 HydrophobicContact CD1-CG2 4.32Å; Y101-V138 HydrophobicContact CE1-CG1 4.28Å; Y101-V138 HydrophobicContact CE1-CG2 4.13Å; Y101-L186 HydrophobicContact CE1-CD2 3.93Å; Y101-F189 HydrophobicContact CE1-CE2 4.09Å; Y101-F189 HydrophobicContact CE1-CZ 4.15Å; Y101-F189 WeakPolarHBondContact OH-CZ 3.19Å; Y101-P190 HydrophobicContact CE1-CG 4.48Å; Y101-L214 WeakPolarHBondContact CE2-O 3.34Å; Y101-L214 WeakPolarHBondContact OH-CB 3.4Å; Y101-L214 PolarHBondContact OH-O 2.96Å; Y101-L214 VanDerWaalsContact OH-O 3.11Å; Y101-M217 HydrophobicContact CD2-CB 4.18Å; Y101-M217 HydrophobicContact CE2-CB 3.71Å; Y101-L218 HydrophobicContact CD1-CD1 3.97Å; Y101-L218 HydrophobicContact CD2-CB 4.04Å; Y101-L218 HydrophobicContact CD2-CD1 4.03Å; Y101-L218 HydrophobicContact CE1-CD1 4.26Å; Y101-L218 HydrophobicContact CE2-CB 3.74Å; Y101-L218 HydrophobicContact CE2-CD1 4.31Å; Y101-L218 VanDerWaalsContact CE2-N 3.32Å; Y101-L218 HydrophobicContact CG-CD1 3.87Å; Y101-A221 HydrophobicContact CD2-CB 4.38Å
102	Q	98.7	Very high	98.6	Very high	37 Å²	37	56.3 Å²	56.3	17%	0.173	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-37.2	176.4	58.7	138.8	-27.7	0	0	112.1	F98 L99 I105 K106 L135 V138 E139	F98-Q102 WeakPolarHBondContact O-CG 3.38Å; F98-Q102 PolarHBondContact O-N 3.19Å; L99-Q102 WeakPolarHBondContact O-CG 3.47Å; Q102-I105 PolarHBondContact O-N 2.87Å; Q102-K106 WeakPolarHBondContact O-CB 3.24Å; Q102-K106 PolarHBondContact O-N 3.12Å; Q102-L135 HydrophobicContact CB-CD1 3.67Å; Q102-L135 VanDerWaalsContact O-CD1 3.28Å; Q102-L135 WeakPolarHBondContact O-CD1 3.17Å; Q102-V138 HydrophobicContact CB-CB 4.42Å; Q102-V138 HydrophobicContact CB-CG1 3.89Å; Q102-E139 HydrophobicContact CB-CG 4.4Å
103	Q	98.8	Very high	98.7	Very high	83 Å²	83	51.4 Å²	51.4	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-68.3	-42.7	178.9	-173.6	57.7	52.1	0	0	110.7	C100 Y101 I105 K106 D107	C100-Q103 PolarHBondContact O-N 2.99Å; Y101-Q103 PolarHBondContact O-N 3.15Å; Q103-I105 PolarHBondContact O-N 3.42Å; Q103-K106 WeakPolarHBondContact O-CB 3.21Å; Q103-K106 PolarHBondContact O-N 3.44Å; Q103-D107 PolarHBondContact NE2-OD1 3.2Å; Q103-D107 PolarHBondContact NE2-OD2 2.82Å; Q103-D107 VanDerWaalsContact O-CG 3.3Å; Q103-D107 PolarHBondContact O-N 3.05Å
104	L	98.9	Very high	98.7	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-42.7	175.2	-71.4	172.6	0	0	0	112.4	C100 Y101 N108 M217 D220 A221	C100-L104 PolarHBondContact O-N 3.09Å; Y101-L104 PolarHBondContact O-N 3.3Å; L104-N108 WeakPolarHBondContact O-CB 3.21Å; L104-N108 PolarHBondContact O-N 3.26Å; L104-N108 PolarHBondContact O-ND2 3.4Å; L104-M217 HydrophobicContact CB-CB 4.34Å; L104-M217 VanDerWaalsContact CD1-O 3.23Å; L104-M217 WeakPolarHBondContact CD1-O 3.22Å; L104-D220 HydrophobicContact CD1-CB 3.91Å; L104-A221 HydrophobicContact CD1-CB 4Å
105	I	98.9	Very high	98.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-48.8	174.2	-66	170.1	0	0	0	109.9	Y101 Q102 Q103 D107 N108 I109 L112 V131 L135 V138 L186 L214 M217	Y101-I105 HydrophobicContact CD1-CD1 4.06Å; Y101-I105 HydrophobicContact CD2-CD1 4.49Å; Y101-I105 HydrophobicContact CD2-CG1 4.44Å; Y101-I105 HydrophobicContact CE1-CD1 3.6Å; Y101-I105 HydrophobicContact CE1-CG1 4.46Å; Y101-I105 HydrophobicContact CE2-CD1 4.06Å; Y101-I105 HydrophobicContact CE2-CG1 4.04Å; Y101-I105 HydrophobicContact CG-CD1 4.48Å; Y101-I105 PolarHBondContact O-N 2.81Å; Q102-I105 PolarHBondContact O-N 2.87Å; Q103-I105 PolarHBondContact O-N 3.42Å; I105-D107 VanDerWaalsContact C-N 3.31Å; I105-D107 PolarHBondContact O-N 3.04Å; I105-N108 CarbonylContact O-C 3.41Å; I105-N108 PolarHBondContact O-N 3.07Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 3.15Å; I105-L112 HydrophobicContact CG2-CD1 4.03Å; I105-V131 HydrophobicContact CG2-CG1 3.73Å; I105-L135 HydrophobicContact CB-CD1 4.14Å; I105-L135 HydrophobicContact CG2-CB 4.06Å; I105-L135 HydrophobicContact CG2-CD1 4.16Å; I105-L135 HydrophobicContact CG2-CG 4.5Å; I105-V138 HydrophobicContact CD1-CG2 3.97Å; I105-L186 HydrophobicContact CD1-CD1 4.09Å; I105-L186 HydrophobicContact CD1-CD2 3.99Å; I105-L214 HydrophobicContact CD1-CD2 4.2Å; I105-L214 HydrophobicContact CG1-CD2 4.04Å; I105-M217 HydrophobicContact CG1-SD 4.37Å
106	K	98.6	Very high	98.7	Very high	111 Å²	111	52.5 Å²	52.5	48%	0.483	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-43.3	-177.8	-172.9	174.5	-178.8	173.8	0	112.4	Q102 Q103 N108 I109 L135	Q102-K106 WeakPolarHBondContact O-CB 3.24Å; Q102-K106 PolarHBondContact O-N 3.12Å; Q103-K106 WeakPolarHBondContact O-CB 3.21Å; Q103-K106 PolarHBondContact O-N 3.44Å; K106-N108 PolarHBondContact O-N 3.13Å; K106-I109 WeakPolarHBondContact O-CG1 3.32Å; K106-L135 HydrophobicContact CB-CD2 3.97Å; K106-L135 HydrophobicContact CG-CD2 4.29Å
107	D	98.7	Very high	98.7	Very high	107 Å²	107	47.8 Å²	47.8	57%	0.572	24%	0.235	S	C	*	.	H	α-helix	trans	-71.2	-18.1	179.5	-67.5	-25.5	0	0	0	113	Q103 I105	Q103-D107 PolarHBondContact NE2-OD1 3.2Å; Q103-D107 PolarHBondContact NE2-OD2 2.82Å; Q103-D107 VanDerWaalsContact O-CG 3.3Å; Q103-D107 PolarHBondContact O-N 3.05Å; I105-D107 VanDerWaalsContact C-N 3.31Å; I105-D107 PolarHBondContact O-N 3.04Å
108	N	98.7	Very high	98.7	Very high	59 Å²	59	50.7 Å²	50.7	32%	0.316	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	15.8	-175.4	-66.3	-84.9	0	0	0	113.8	L104 I105 K106 K110 E111 L112 M217	L104-N108 WeakPolarHBondContact O-CB 3.21Å; L104-N108 PolarHBondContact O-N 3.26Å; L104-N108 PolarHBondContact O-ND2 3.4Å; I105-N108 CarbonylContact O-C 3.41Å; I105-N108 PolarHBondContact O-N 3.07Å; K106-N108 PolarHBondContact O-N 3.13Å; N108-K110 PolarHBondContact O-N 2.59Å; N108-K110 VanDerWaalsContact O-N 3.16Å; N108-E111 PolarHBondContact O-N 3.42Å; N108-L112 PolarHBondContact O-N 2.85Å; N108-M217 HydrophobicContact CB-CE 3.33Å; N108-M217 HydrophobicContact CB-SD 4.3Å
109	I	98.8	Very high	98.7	Very high	33 Å²	33	50.9 Å²	50.9	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-49.7	-45.3	-179.9	-73.2	174	0	0	0	111.7	I105 K106 E111 L112 A113 E128 V131 L135	I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 3.15Å; K106-I109 WeakPolarHBondContact O-CG1 3.32Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 3.31Å; I109-L112 PolarHBondContact O-N 3.1Å; I109-A113 VanDerWaalsContact O-CB 3.27Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.34Å; I109-E128 HydrophobicContact CG2-CB 4.12Å; I109-E128 HydrophobicContact CG2-CG 3.95Å; I109-V131 HydrophobicContact CB-CG1 4.43Å; I109-V131 HydrophobicContact CG1-CG1 3.92Å; I109-V131 HydrophobicContact CG2-CB 4.48Å; I109-V131 HydrophobicContact CG2-CG1 4.49Å; I109-L135 HydrophobicContact CD1-CD2 4.3Å
110	K	98.4	Very high	98.7	Very high	152 Å²	152	48.2 Å²	48.2	66%	0.661	24%	0.237	S	C	*	.	H	α-helix	trans	-64.2	-37.1	-178	-67.7	-176	176.4	-179.1	0	112.8	N108 K114	N108-K110 PolarHBondContact O-N 2.59Å; N108-K110 VanDerWaalsContact O-N 3.16Å; K110-K114 VanDerWaalsContact O-CG 3.31Å; K110-K114 WeakPolarHBondContact O-CG 3.46Å; K110-K114 PolarHBondContact O-N 3.24Å; K110-K114 VanDerWaalsContact O-N 3.09Å
111	E	98.4	Very high	98.7	Very high	93 Å²	93	45.2 Å²	45.2	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-74.1	-41.7	-179.4	-169.3	59.7	-165.4	0	0	111.2	N108 I109 A113 K114 S115	N108-E111 PolarHBondContact O-N 3.42Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 3.31Å; E111-A113 PolarHBondContact O-N 3.49Å; E111-K114 PolarHBondContact O-N 3.15Å; E111-K114 IonicContact OE2-NZ 2.59Å; E111-K114 PolarHBondContact OE2-NZ 3.25Å; E111-K114 VanDerWaalsContact OE2-NZ 3.11Å; E111-S115 PolarHBondContact O-N 2.96Å
112	L	98.8	Very high	98.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-50.3	170.5	-67.9	166.4	0	0	0	110.1	I105 N108 I109 K114 S115 I116 V131 L213 L214 M217	I105-L112 HydrophobicContact CG2-CD1 4.03Å; N108-L112 PolarHBondContact O-N 2.85Å; I109-L112 PolarHBondContact O-N 3.1Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.18Å; L112-S115 PolarHBondContact O-N 3.24Å; L112-S115 VanDerWaalsContact O-N 3.08Å; L112-S115 PolarHBondContact O-OG 2.85Å; L112-I116 WeakPolarHBondContact O-CG1 3.25Å; L112-I116 PolarHBondContact O-N 3.5Å; L112-I116 VanDerWaalsContact O-N 3.12Å; L112-V131 HydrophobicContact CB-CG1 4.29Å; L112-V131 HydrophobicContact CB-CG2 3.59Å; L112-V131 HydrophobicContact CD1-CG1 3.67Å; L112-V131 HydrophobicContact CD1-CG2 4.41Å; L112-L213 HydrophobicContact CD2-CB 3.65Å; L112-L213 HydrophobicContact CD2-CD1 4.11Å; L112-L214 HydrophobicContact CD1-CD2 3.98Å; L112-L214 HydrophobicContact CD2-CD2 4.01Å; L112-L214 HydrophobicContact CD2-CG 4.13Å; L112-M217 HydrophobicContact CD1-CE 4.09Å; L112-M217 HydrophobicContact CD1-SD 4.13Å; L112-M217 HydrophobicContact CD2-CE 3.98Å; L112-M217 HydrophobicContact CD2-SD 4.44Å; L112-M217 HydrophobicContact CG-CE 3.96Å
113	A	98.8	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-42.1	-178.8	0	0	0	0	0	113.1	I109 E111 S115 I116 T117 A127 E128	I109-A113 VanDerWaalsContact O-CB 3.27Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.34Å; E111-A113 PolarHBondContact O-N 3.49Å; A113-S115 PolarHBondContact O-N 3.24Å; A113-I116 PolarHBondContact O-N 3.24Å; A113-T117 PolarHBondContact O-N 2.78Å; A113-T117 PolarHBondContact O-OG1 3.35Å; A113-A127 HydrophobicContact CB-CB 3.79Å; A113-A127 WeakPolarHBondContact O-CB 3.46Å; A113-E128 HydrophobicContact CB-CG 3.73Å
114	K	98.6	Very high	98.6	Very high	116 Å²	116	43.4 Å²	43.4	50%	0.504	21%	0.212	S	C	.	.	H	α-helix	trans	-58.1	-45.6	174.8	-73.4	170.7	-169.2	169	0	112.4	K110 E111 L112 I116 T117 L118 L124	K110-K114 VanDerWaalsContact O-CG 3.31Å; K110-K114 WeakPolarHBondContact O-CG 3.46Å; K110-K114 PolarHBondContact O-N 3.24Å; K110-K114 VanDerWaalsContact O-N 3.09Å; E111-K114 PolarHBondContact O-N 3.15Å; E111-K114 IonicContact OE2-NZ 2.59Å; E111-K114 PolarHBondContact OE2-NZ 3.25Å; E111-K114 VanDerWaalsContact OE2-NZ 3.11Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.18Å; K114-I116 VanDerWaalsContact C-N 3.28Å; K114-I116 PolarHBondContact O-N 2.99Å; K114-T117 PolarHBondContact O-N 3.48Å; K114-L118 VanDerWaalsContact O-CB 3.32Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 PolarHBondContact O-N 3.48Å; K114-L124 HydrophobicContact CG-CD2 4.28Å
115	S	98.5	Very high	98.6	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-39.2	178.3	73.3	0	0	0	0	111.8	E111 L112 A113 L118 E119	E111-S115 PolarHBondContact O-N 2.96Å; L112-S115 PolarHBondContact O-N 3.24Å; L112-S115 VanDerWaalsContact O-N 3.08Å; L112-S115 PolarHBondContact O-OG 2.85Å; A113-S115 PolarHBondContact O-N 3.24Å; S115-L118 PolarHBondContact O-N 2.78Å; S115-E119 PolarHBondContact O-N 3.47Å; S115-E119 VanDerWaalsContact O-N 3.14Å
116	I	98.8	Very high	98.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-48.6	177.2	-58	176.9	0	0	0	110.4	L112 A113 K114 L118 E119 Q120 K122 A127 D130 V131 P181 A182 C210	L112-I116 WeakPolarHBondContact O-CG1 3.25Å; L112-I116 PolarHBondContact O-N 3.5Å; L112-I116 VanDerWaalsContact O-N 3.12Å; A113-I116 PolarHBondContact O-N 3.24Å; K114-I116 VanDerWaalsContact C-N 3.28Å; K114-I116 PolarHBondContact O-N 2.99Å; I116-L118 VanDerWaalsContact C-N 3.3Å; I116-L118 PolarHBondContact O-N 3.15Å; I116-E119 PolarHBondContact O-N 2.94Å; I116-Q120 HydrophobicContact CG2-CB 4.16Å; I116-Q120 WeakPolarHBondContact O-CA 3.26Å; I116-Q120 WeakPolarHBondContact O-CB 3.41Å; I116-Q120 PolarHBondContact O-N 3.47Å; I116-K122 HydrophobicContact CG2-CD 3.69Å; I116-K122 HydrophobicContact CG2-CG 4.03Å; I116-A127 HydrophobicContact CB-CB 3.95Å; I116-A127 HydrophobicContact CG2-CB 3.99Å; I116-D130 HydrophobicContact CD1-CB 4.25Å; I116-V131 HydrophobicContact CD1-CG2 3.68Å; I116-P181 HydrophobicContact CB-CG 4.22Å; I116-P181 HydrophobicContact CD1-CG 4.23Å; I116-P181 HydrophobicContact CG1-CG 3.79Å; I116-P181 HydrophobicContact CG2-CG 3.75Å; I116-A182 HydrophobicContact CD1-CB 3.81Å; I116-C210 HydrophobicContact CG1-CB 3.93Å
117	T	98.8	Very high	98.5	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.055	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-40.6	178.3	-70.6	0	0	0	0	111.6	A113 K114 G121 K122 L124 G341 D342	A113-T117 PolarHBondContact O-N 2.78Å; A113-T117 PolarHBondContact O-OG1 3.35Å; K114-T117 PolarHBondContact O-N 3.48Å; T117-G121 WeakPolarHBondContact O-CA 3.28Å; T117-G121 PolarHBondContact O-N 3.28Å; T117-K122 WeakPolarHBondContact CB-O 3.42Å; T117-K122 VanDerWaalsContact CG2-O 3.27Å; T117-K122 WeakPolarHBondContact CG2-O 3.19Å; T117-K122 PolarHBondContact OG1-O 3.47Å; T117-L124 HydrophobicContact CG2-CD2 4.39Å; T117-L124 HydrophobicContact CG2-CG 4.48Å; T117-G341 VanDerWaalsContact CG2-C 3.49Å; T117-D342 HydrophobicContact CG2-CB 4.03Å
118	L	98.5	Very high	98.5	Very high	82 Å²	82	39.6 Å²	39.6	43%	0.429	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-44	-179.3	-179.4	62.7	0	0	0	113	P55 I61 K114 S115 I116	P55-L118 WeakPolarHBondContact CD-O 3.35Å; I61-L118 HydrophobicContact CD1-CD1 4.21Å; I61-L118 HydrophobicContact CD1-CD2 4.14Å; I61-L118 HydrophobicContact CD1-CG 3.71Å; K114-L118 VanDerWaalsContact O-CB 3.32Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 PolarHBondContact O-N 3.48Å; S115-L118 PolarHBondContact O-N 2.78Å; I116-L118 VanDerWaalsContact C-N 3.3Å; I116-L118 PolarHBondContact O-N 3.15Å
119	E	98.6	Very high	98.5	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-93	-32.9	-176.1	-61.8	-175.6	146.9	0	0	113.1	I52 I61 S115 I116 V207 T209 I352	I52-E119 HydrophobicContact CG2-CB 4.47Å; I52-E119 HydrophobicContact CG2-CG 4.04Å; I61-E119 HydrophobicContact CD1-CG 4Å; S115-E119 PolarHBondContact O-N 3.47Å; S115-E119 VanDerWaalsContact O-N 3.14Å; I116-E119 PolarHBondContact O-N 2.94Å; E119-V207 HydrophobicContact CB-CB 4.17Å; E119-V207 HydrophobicContact CB-CG1 3.82Å; E119-V207 WeakPolarHBondContact OE2-CA 3.32Å; E119-T209 VanDerWaalsContact OE1-CB 3.23Å; E119-T209 WeakPolarHBondContact OE1-CB 3.29Å; E119-T209 PolarHBondContact OE1-OG1 2.58Å; E119-T209 WeakPolarHBondContact OE2-CB 3.4Å; E119-T209 PolarHBondContact OE2-N 2.58Å; E119-I352 WeakPolarHBondContact O-CD1 3.24Å
120	Q	98.6	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-97.9	-33.3	-175.1	-161.8	-78.8	-31.7	0	0	113.1	I116 K122 F178 V207 I352	I116-Q120 HydrophobicContact CG2-CB 4.16Å; I116-Q120 WeakPolarHBondContact O-CA 3.26Å; I116-Q120 WeakPolarHBondContact O-CB 3.41Å; I116-Q120 PolarHBondContact O-N 3.47Å; Q120-K122 VanDerWaalsContact OE1-CG 3.28Å; Q120-F178 HydrophobicContact CG-CD2 4.39Å; Q120-F178 VanDerWaalsContact CG-O 3.31Å; Q120-F178 WeakPolarHBondContact CG-O 3.37Å; Q120-V207 HydrophobicContact CB-CG1 3.71Å; Q120-V207 HydrophobicContact CG-CG1 4.14Å; Q120-I352 HydrophobicContact CG-CD1 4.36Å
121	G	98.4	Very high	98.5	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	17%	0.166	C	C	.	.			trans	97.7	-16.4	176.6	0	0	0	0	0	116.3	T117 P350	T117-G121 WeakPolarHBondContact O-CA 3.28Å; T117-G121 PolarHBondContact O-N 3.28Å; G121-P350 WeakPolarHBondContact O-CD 3.37Å
122	K	98.6	Very high	98.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	17%	0.165	C	C	.	.			trans	-57.7	157.3	177.3	66.9	-176.1	71.1	177	0	112.2	I116 T117 Q120 D126 A127 D130 N179 A305	I116-K122 HydrophobicContact CG2-CD 3.69Å; I116-K122 HydrophobicContact CG2-CG 4.03Å; T117-K122 WeakPolarHBondContact CB-O 3.42Å; T117-K122 VanDerWaalsContact CG2-O 3.27Å; T117-K122 WeakPolarHBondContact CG2-O 3.19Å; T117-K122 PolarHBondContact OG1-O 3.47Å; Q120-K122 VanDerWaalsContact OE1-CG 3.28Å; K122-D126 HydrophobicContact CB-CB 4.05Å; K122-D126 HydrophobicContact CD-CB 4.07Å; K122-D126 HydrophobicContact CG-CB 4.24Å; K122-A127 HydrophobicContact CD-CB 3.98Å; K122-A127 HydrophobicContact CG-CB 4Å; K122-D130 IonicContact NZ-OD2 3.82Å; K122-D130 PolarHBondContact NZ-OD2 2.88Å; K122-N179 WeakPolarHBondContact CE-O 3.41Å; K122-N179 PolarHBondContact NZ-O 2.79Å; K122-A305 HydrophobicContact CB-CB 4.16Å
123	T	98.6	Very high	98.5	Very high	14 Å²	14	32.6 Å²	32.6	9%	0.086	18%	0.176	C	C	.	.			trans	-59.2	152.5	177.4	70.1	0	0	0	0	110.9	A125 D126 A127 G341 A346	T123-A125 PolarHBondContact O-N 3.38Å; T123-D126 PolarHBondContact O-N 2.84Å; T123-D126 VanDerWaalsContact O-N 3.09Å; T123-D126 WeakPolarHBondContact OG1-CB 3.28Å; T123-D126 PolarHBondContact OG1-N 3.3Å; T123-A127 PolarHBondContact O-N 3.41Å; T123-G341 VanDerWaalsContact CA-O 3.31Å; T123-G341 WeakPolarHBondContact CA-O 3.4Å; T123-A346 HydrophobicContact CG2-CB 4.21Å; T123-A346 VanDerWaalsContact CG2-O 3.22Å; T123-A346 WeakPolarHBondContact CG2-O 3.35Å
124	L	98.3	Very high	98.5	Very high	66 Å²	66	32.6 Å²	32.6	35%	0.346	18%	0.176	S	C	.	.	H	α-helix	trans	-55.2	-39.7	176.5	-75.8	169.5	0	0	0	112.1	K114 T117 D126 A127 E128 G341	K114-L124 HydrophobicContact CG-CD2 4.28Å; T117-L124 HydrophobicContact CG2-CD2 4.39Å; T117-L124 HydrophobicContact CG2-CG 4.48Å; L124-D126 PolarHBondContact O-N 3.12Å; L124-A127 PolarHBondContact O-N 2.98Å; L124-E128 WeakPolarHBondContact O-CG 3.23Å; L124-E128 PolarHBondContact O-N 3.36Å; L124-G341 PolarHBondContact N-O 3Å; L124-G341 VanDerWaalsContact N-O 3.12Å
125	A	97.8	Very high	98.5	Very high	71 Å²	71	27.1 Å²	27.1	59%	0.587	15%	0.152	S	C	*	.	H	α-helix	trans	-63.2	-41.9	177.2	0	0	0	0	0	112.4	T123 A127 E128 G129	T123-A125 PolarHBondContact O-N 3.38Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-E128 PolarHBondContact O-N 3.35Å; A125-G129 PolarHBondContact O-N 3.41Å
126	D	97.9	Very high	98.5	Very high	39 Å²	39	28.3 Å²	28.3	21%	0.209	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-33.6	174.8	-84.3	-25	0	0	0	112.3	K122 T123 L124 G129 D130 A305 R309	K122-D126 HydrophobicContact CB-CB 4.05Å; K122-D126 HydrophobicContact CD-CB 4.07Å; K122-D126 HydrophobicContact CG-CB 4.24Å; T123-D126 PolarHBondContact O-N 2.84Å; T123-D126 VanDerWaalsContact O-N 3.09Å; T123-D126 WeakPolarHBondContact OG1-CB 3.28Å; T123-D126 PolarHBondContact OG1-N 3.3Å; L124-D126 PolarHBondContact O-N 3.12Å; D126-G129 PolarHBondContact O-N 2.85Å; D126-D130 PolarHBondContact O-N 2.78Å; D126-A305 WeakPolarHBondContact OD2-CA 3.45Å; D126-A305 PolarHBondContact OD2-N 2.82Å; D126-R309 IonicContact OD1-CZ 3.26Å; D126-R309 IonicContact OD1-NH2 2.58Å; D126-R309 PolarHBondContact OD1-NH2 3.06Å; D126-R309 IonicContact OD2-NH2 2.95Å; D126-R309 PolarHBondContact OD2-NH2 3.28Å
127	A	98.7	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.1	-38.5	174.7	0	0	0	0	0	112.5	A113 I116 K122 T123 L124 A125 G129 D130 V131	A113-A127 HydrophobicContact CB-CB 3.79Å; A113-A127 WeakPolarHBondContact O-CB 3.46Å; I116-A127 HydrophobicContact CB-CB 3.95Å; I116-A127 HydrophobicContact CG2-CB 3.99Å; K122-A127 HydrophobicContact CD-CB 3.98Å; K122-A127 HydrophobicContact CG-CB 4Å; T123-A127 PolarHBondContact O-N 3.41Å; L124-A127 PolarHBondContact O-N 2.98Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A127-G129 VanDerWaalsContact C-N 3.3Å; A127-D130 WeakPolarHBondContact O-CB 3.19Å; A127-D130 PolarHBondContact O-N 3.25Å; A127-V131 WeakPolarHBondContact O-CG2 3.46Å; A127-V131 PolarHBondContact O-N 3.44Å; A127-V131 VanDerWaalsContact O-N 3.09Å
128	E	98.6	Very high	98.5	Very high	76 Å²	76	28 Å²	28	36%	0.355	15%	0.154	S	C	.	.	H	α-helix	trans	-62.8	-40.6	170.4	-70.5	-178.2	167.7	0	0	110.8	I109 A113 L124 A125 V131 F132	I109-E128 HydrophobicContact CG2-CB 4.12Å; I109-E128 HydrophobicContact CG2-CG 3.95Å; A113-E128 HydrophobicContact CB-CG 3.73Å; L124-E128 WeakPolarHBondContact O-CG 3.23Å; L124-E128 PolarHBondContact O-N 3.36Å; A125-E128 PolarHBondContact O-N 3.35Å; E128-V131 PolarHBondContact O-N 2.7Å; E128-F132 VanDerWaalsContact O-CB 3.23Å; E128-F132 WeakPolarHBondContact O-CB 3.32Å; E128-F132 PolarHBondContact O-N 3.47Å
129	G	98.2	Very high	98.5	Very high	32 Å²	32	27.3 Å²	27.3	33%	0.33	15%	0.149	S	C	.	.	H	α-helix	trans	-60.8	-41.8	172.9	0	0	0	0	0	113.4	A125 D126 A127 F132 R133	A125-G129 PolarHBondContact O-N 3.41Å; D126-G129 PolarHBondContact O-N 2.85Å; A127-G129 VanDerWaalsContact C-N 3.3Å; G129-F132 PolarHBondContact O-N 2.88Å; G129-R133 WeakPolarHBondContact O-CB 3.42Å; G129-R133 VanDerWaalsContact O-CG 3.23Å; G129-R133 WeakPolarHBondContact O-CG 3.34Å; G129-R133 PolarHBondContact O-N 3.43Å
130	D	98.6	Very high	98.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	15%	0.153	C	C	.	.	H	α-helix	trans	-56.1	-53.4	173.7	-174.9	-14.4	0	0	0	111.1	I116 K122 D126 A127 F132 R133 G134 F180 P181 A182 M183	I116-D130 HydrophobicContact CD1-CB 4.25Å; K122-D130 IonicContact NZ-OD2 3.82Å; K122-D130 PolarHBondContact NZ-OD2 2.88Å; D126-D130 PolarHBondContact O-N 2.78Å; A127-D130 WeakPolarHBondContact O-CB 3.19Å; A127-D130 PolarHBondContact O-N 3.25Å; D130-F132 PolarHBondContact O-N 3.16Å; D130-R133 PolarHBondContact O-N 2.93Å; D130-G134 PolarHBondContact O-N 3.28Å; D130-F180 HydrophobicContact CB-CD1 4.06Å; D130-F180 VanDerWaalsContact OD2-CA 3.3Å; D130-F180 WeakPolarHBondContact OD2-CA 3.07Å; D130-P181 WeakPolarHBondContact OD2-CD 3.24Å; D130-A182 PolarHBondContact OD1-N 3.21Å; D130-M183 WeakPolarHBondContact O-CB 3.31Å; D130-M183 WeakPolarHBondContact OD1-CB 3.22Å; D130-M183 PolarHBondContact OD1-N 3.07Å
131	V	98.8	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-46.7	178.3	-179.5	0	0	0	0	111.1	I105 I109 L112 I116 A127 E128 R133 G134 L135 A182	I105-V131 HydrophobicContact CG2-CG1 3.73Å; I109-V131 HydrophobicContact CB-CG1 4.43Å; I109-V131 HydrophobicContact CG1-CG1 3.92Å; I109-V131 HydrophobicContact CG2-CB 4.48Å; I109-V131 HydrophobicContact CG2-CG1 4.49Å; L112-V131 HydrophobicContact CB-CG1 4.29Å; L112-V131 HydrophobicContact CB-CG2 3.59Å; L112-V131 HydrophobicContact CD1-CG1 3.67Å; L112-V131 HydrophobicContact CD1-CG2 4.41Å; I116-V131 HydrophobicContact CD1-CG2 3.68Å; A127-V131 WeakPolarHBondContact O-CG2 3.46Å; A127-V131 PolarHBondContact O-N 3.44Å; A127-V131 VanDerWaalsContact O-N 3.09Å; E128-V131 PolarHBondContact O-N 2.7Å; V131-R133 PolarHBondContact O-N 3.48Å; V131-G134 PolarHBondContact O-N 3.3Å; V131-L135 WeakPolarHBondContact O-CB 3.45Å; V131-L135 PolarHBondContact O-N 3.02Å; V131-A182 HydrophobicContact CB-CB 4.44Å; V131-A182 HydrophobicContact CG2-CB 3.89Å
132	F	98.5	Very high	98.4	Very high	96 Å²	96	28.6 Å²	28.6	42%	0.421	16%	0.156	S	C	.	.	H	α-helix	trans	-60.1	-45.2	-177.9	-177.9	-103	0	0	0	111.7	E128 G129 D130 G134 L135 Q136	E128-F132 VanDerWaalsContact O-CB 3.23Å; E128-F132 WeakPolarHBondContact O-CB 3.32Å; E128-F132 PolarHBondContact O-N 3.47Å; G129-F132 PolarHBondContact O-N 2.88Å; D130-F132 PolarHBondContact O-N 3.16Å; F132-G134 VanDerWaalsContact C-N 3.3Å; F132-G134 PolarHBondContact O-N 3.32Å; F132-L135 WeakPolarHBondContact O-CB 3.43Å; F132-L135 PolarHBondContact O-N 3.1Å; F132-Q136 HydrophobicContact CD1-CG 4.37Å; F132-Q136 HydrophobicContact CE1-CG 4.02Å; F132-Q136 HydrophobicContact CZ-CG 4.17Å; F132-Q136 WeakPolarHBondContact O-CG 3.42Å; F132-Q136 PolarHBondContact O-N 3.36Å
133	R	98.2	Very high	98.3	Very high	59 Å²	59	31.1 Å²	31.1	22%	0.223	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-33.4	178.1	-68.6	-63.2	-64.5	-176.5	-11.4	112.8	G129 D130 V131 M183 V470 P471	G129-R133 WeakPolarHBondContact O-CB 3.42Å; G129-R133 VanDerWaalsContact O-CG 3.23Å; G129-R133 WeakPolarHBondContact O-CG 3.34Å; G129-R133 PolarHBondContact O-N 3.43Å; D130-R133 PolarHBondContact O-N 2.93Å; V131-R133 PolarHBondContact O-N 3.48Å; R133-M183 HydrophobicContact CB-CG 3.89Å; R133-M183 HydrophobicContact CB-SD 3.53Å; R133-M183 VanDerWaalsContact CB-SD 3.53Å; R133-M183 HydrophobicContact CG-SD 4.31Å; R133-V470 PolarHBondContact NH2-O 3.23Å; R133-P471 PolarHBondContact NH2-O 2.84Å
134	G	98.5	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-44.5	170.5	0	0	0	0	0	112.8	D130 V131 F132 Q136 V137 V138	D130-G134 PolarHBondContact O-N 3.28Å; V131-G134 PolarHBondContact O-N 3.3Å; F132-G134 VanDerWaalsContact C-N 3.3Å; F132-G134 PolarHBondContact O-N 3.32Å; G134-Q136 VanDerWaalsContact C-N 3.29Å; G134-Q136 PolarHBondContact O-N 3.13Å; G134-V137 WeakPolarHBondContact O-CB 3.49Å; G134-V137 PolarHBondContact O-N 2.97Å; G134-V138 PolarHBondContact O-N 3.29Å
135	L	98.7	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-54.4	-43.7	176	170.2	61.4	0	0	0	111.6	Q102 I105 K106 I109 V131 F132 V137 V138 E139	Q102-L135 HydrophobicContact CB-CD1 3.67Å; Q102-L135 VanDerWaalsContact O-CD1 3.28Å; Q102-L135 WeakPolarHBondContact O-CD1 3.17Å; I105-L135 HydrophobicContact CB-CD1 4.14Å; I105-L135 HydrophobicContact CG2-CB 4.06Å; I105-L135 HydrophobicContact CG2-CD1 4.16Å; I105-L135 HydrophobicContact CG2-CG 4.5Å; K106-L135 HydrophobicContact CB-CD2 3.97Å; K106-L135 HydrophobicContact CG-CD2 4.29Å; I109-L135 HydrophobicContact CD1-CD2 4.3Å; V131-L135 WeakPolarHBondContact O-CB 3.45Å; V131-L135 PolarHBondContact O-N 3.02Å; F132-L135 WeakPolarHBondContact O-CB 3.43Å; F132-L135 PolarHBondContact O-N 3.1Å; L135-V137 PolarHBondContact O-N 2.81Å; L135-V137 VanDerWaalsContact O-N 3.16Å; L135-V138 CarbonylContact O-C 3.54Å; L135-V138 WeakPolarHBondContact O-CA 3.33Å; L135-V138 WeakPolarHBondContact O-CB 3.43Å; L135-V138 PolarHBondContact O-N 3.44Å; L135-E139 HydrophobicContact CD1-CG 4.28Å; L135-E139 HydrophobicContact CG-CG 4.41Å; L135-E139 PolarHBondContact O-N 2.71Å
136	Q	98.6	Very high	98.1	Very high	38 Å²	38	30.1 Å²	30.1	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-27.5	179.3	-58.9	-175.9	-60.6	0	0	112.8	F132 G134 H140 P473	F132-Q136 HydrophobicContact CD1-CG 4.37Å; F132-Q136 HydrophobicContact CE1-CG 4.02Å; F132-Q136 HydrophobicContact CZ-CG 4.17Å; F132-Q136 WeakPolarHBondContact O-CG 3.42Å; F132-Q136 PolarHBondContact O-N 3.36Å; G134-Q136 VanDerWaalsContact C-N 3.29Å; G134-Q136 PolarHBondContact O-N 3.13Å; Q136-H140 PolarHBondContact O-N 3.06Å; Q136-P473 VanDerWaalsContact C-CG 3.49Å; Q136-P473 HydrophobicContact CB-CG 3.51Å; Q136-P473 WeakPolarHBondContact O-CB 3.36Å; Q136-P473 WeakPolarHBondContact O-CG 3.17Å
137	V	98.6	Very high	98.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-72.8	-37.7	172.7	178.9	0	0	0	0	111.6	G134 L135 E139 H140 A141 L186 W187 M191 P473 Y491	G134-V137 WeakPolarHBondContact O-CB 3.49Å; G134-V137 PolarHBondContact O-N 2.97Å; L135-V137 PolarHBondContact O-N 2.81Å; L135-V137 VanDerWaalsContact O-N 3.16Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-H140 PolarHBondContact O-N 3.41Å; V137-A141 WeakPolarHBondContact O-CB 3.49Å; V137-A141 PolarHBondContact O-N 3Å; V137-L186 WeakPolarHBondContact CG1-O 3.28Å; V137-W187 VanDerWaalsContact CG2-CD1 3.5Å; V137-W187 HydrophobicContact CG2-CG 4.5Å; V137-M191 HydrophobicContact CG1-CG 3.88Å; V137-M191 HydrophobicContact CG1-SD 4.05Å; V137-P473 HydrophobicContact CG2-CB 3.99Å; V137-P473 HydrophobicContact CG2-CG 4.03Å; V137-Y491 HydrophobicContact CG2-CD1 4.34Å; V137-Y491 HydrophobicContact CG2-CG 4.2Å
138	V	98.7	Very high	98	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-41	172.7	-173.6	0	0	0	0	111	F98 Y101 Q102 I105 G134 L135 H140 A141 C142 L186 P190	F98-V138 HydrophobicContact CD1-CG1 4.13Å; Y101-V138 HydrophobicContact CD1-CG1 3.64Å; Y101-V138 HydrophobicContact CD1-CG2 4.32Å; Y101-V138 HydrophobicContact CE1-CG1 4.28Å; Y101-V138 HydrophobicContact CE1-CG2 4.13Å; Q102-V138 HydrophobicContact CB-CB 4.42Å; Q102-V138 HydrophobicContact CB-CG1 3.89Å; I105-V138 HydrophobicContact CD1-CG2 3.97Å; G134-V138 PolarHBondContact O-N 3.29Å; L135-V138 CarbonylContact O-C 3.54Å; L135-V138 WeakPolarHBondContact O-CA 3.33Å; L135-V138 WeakPolarHBondContact O-CB 3.43Å; L135-V138 PolarHBondContact O-N 3.44Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.69Å; V138-A141 WeakPolarHBondContact O-CB 3.26Å; V138-A141 PolarHBondContact O-N 3.41Å; V138-C142 PolarHBondContact O-N 3.12Å; V138-C142 PolarHBondContact O-SG 2.83Å; V138-L186 HydrophobicContact CG2-CB 4.44Å; V138-L186 HydrophobicContact CG2-CD2 3.8Å; V138-L186 HydrophobicContact CG2-CG 4.5Å; V138-P190 HydrophobicContact CG2-CB 4.19Å; V138-P190 HydrophobicContact CG2-CG 4.04Å
139	E	98.6	Very high	98	Very high	68 Å²	68	32.9 Å²	32.9	32%	0.318	18%	0.182	S	C	.	.	H	α-helix	trans	-59	-44.4	173.1	-70.2	175.5	158	0	0	111	Q102 L135 V137 C142	Q102-E139 HydrophobicContact CB-CG 4.4Å; L135-E139 HydrophobicContact CD1-CG 4.28Å; L135-E139 HydrophobicContact CG-CG 4.41Å; L135-E139 PolarHBondContact O-N 2.71Å; V137-E139 VanDerWaalsContact C-N 3.34Å; E139-C142 VanDerWaalsContact O-CB 3.29Å; E139-C142 WeakPolarHBondContact O-CB 3.31Å; E139-C142 PolarHBondContact O-N 3.31Å
140	H	98.3	Very high	97.9	Very high	25 Å²	25	33 Å²	33	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-39	175.2	-178	57	0	0	0	112.9	Q136 V137 V138 C142 S143 P473	Q136-H140 PolarHBondContact O-N 3.06Å; V137-H140 PolarHBondContact O-N 3.41Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.69Å; H140-C142 PolarHBondContact O-N 2.95Å; H140-C142 VanDerWaalsContact O-N 3.15Å; H140-S143 VanDerWaalsContact O-CB 3.25Å; H140-S143 WeakPolarHBondContact O-CB 3.44Å; H140-S143 PolarHBondContact O-N 3.15Å; H140-S143 PolarHBondContact O-OG 2.93Å; H140-P473 HydrophobicContact CB-CB 3.73Å; H140-P473 PolarHBondContact CD2-O 3.05Å
141	A	97.7	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-29.2	174.7	0	0	0	0	0	111.9	V137 V138 S143 I144 M191 V194	V137-A141 WeakPolarHBondContact O-CB 3.49Å; V137-A141 PolarHBondContact O-N 3Å; V138-A141 WeakPolarHBondContact O-CB 3.26Å; V138-A141 PolarHBondContact O-N 3.41Å; A141-S143 PolarHBondContact O-N 2.86Å; A141-S143 VanDerWaalsContact O-N 3.13Å; A141-I144 WeakPolarHBondContact O-CB 3.28Å; A141-I144 PolarHBondContact O-N 2.93Å; A141-I144 VanDerWaalsContact O-N 3.14Å; A141-M191 HydrophobicContact CB-SD 3.79Å; A141-V194 HydrophobicContact CB-CB 4.48Å; A141-V194 HydrophobicContact CB-CG1 3.97Å
142	C	98.1	Very high	97.8	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.074	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12	174.3	-60	0	0	0	0	113.5	Q95 F98 L99 V138 E139 H140 I144	Q95-C142 WeakPolarHBondContact CG-O 3.36Å; Q95-C142 PolarHBondContact NE2-O 3.39Å; F98-C142 VanDerWaalsContact C-SG 3.56Å; L99-C142 HydrophobicContact CD2-CB 3.77Å; L99-C142 HydrophobicContact CG-CB 4.23Å; V138-C142 PolarHBondContact O-N 3.12Å; V138-C142 PolarHBondContact O-SG 2.83Å; E139-C142 VanDerWaalsContact O-CB 3.29Å; E139-C142 WeakPolarHBondContact O-CB 3.31Å; E139-C142 PolarHBondContact O-N 3.31Å; H140-C142 PolarHBondContact O-N 2.95Å; H140-C142 VanDerWaalsContact O-N 3.15Å; C142-I144 PolarHBondContact O-N 2.83Å
143	S	97.4	Very high	97.7	Very high	55 Å²	55	45.9 Å²	45.9	39%	0.385	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	14	172.5	-56.1	0	0	0	0	113.3	H140 A141 T145 S146 L147	H140-S143 VanDerWaalsContact O-CB 3.25Å; H140-S143 WeakPolarHBondContact O-CB 3.44Å; H140-S143 PolarHBondContact O-N 3.15Å; H140-S143 PolarHBondContact O-OG 2.93Å; A141-S143 PolarHBondContact O-N 2.86Å; A141-S143 VanDerWaalsContact O-N 3.13Å; S143-T145 PolarHBondContact O-N 3.19Å; S143-T145 VanDerWaalsContact O-N 3.09Å; S143-S146 PolarHBondContact O-N 2.84Å; S143-L147 WeakPolarHBondContact O-CG 3.21Å; S143-L147 PolarHBondContact O-N 2.98Å
144	I	97.4	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.5	-32.3	-169.6	-165.8	61.3	0	0	0	114.6	I91 Q95 A141 C142 S146 L147 M148 V194 I496	I91-I144 HydrophobicContact CD1-CG1 4.17Å; I91-I144 HydrophobicContact CD1-CG2 4.43Å; I91-I144 HydrophobicContact CG1-CG1 4.25Å; I91-I144 HydrophobicContact CG1-CG2 3.87Å; Q95-I144 HydrophobicContact CB-CG2 3.94Å; Q95-I144 HydrophobicContact CG-CG2 4.38Å; A141-I144 WeakPolarHBondContact O-CB 3.28Å; A141-I144 PolarHBondContact O-N 2.93Å; A141-I144 VanDerWaalsContact O-N 3.14Å; C142-I144 PolarHBondContact O-N 2.83Å; I144-S146 VanDerWaalsContact C-N 3.29Å; I144-S146 PolarHBondContact O-N 3.19Å; I144-L147 HydrophobicContact CD1-CB 4.39Å; I144-L147 PolarHBondContact O-N 3.1Å; I144-L147 VanDerWaalsContact O-N 3.14Å; I144-M148 HydrophobicContact CD1-CG 3.42Å; I144-M148 VanDerWaalsContact CD1-CG 3.42Å; I144-M148 HydrophobicContact CD1-SD 4.01Å; I144-M148 HydrophobicContact CG1-CG 3.56Å; I144-M148 WeakPolarHBondContact O-CB 3.32Å; I144-M148 WeakPolarHBondContact O-CG 3.41Å; I144-M148 PolarHBondContact O-N 2.98Å; I144-V194 HydrophobicContact CB-CG1 4.43Å; I144-V194 HydrophobicContact CB-CG2 3.7Å; I144-V194 HydrophobicContact CD1-CG1 3.75Å; I144-V194 HydrophobicContact CD1-CG2 4.41Å; I144-V194 HydrophobicContact CG1-CB 4.48Å; I144-V194 HydrophobicContact CG1-CG1 4.14Å; I144-V194 HydrophobicContact CG1-CG2 3.86Å; I144-V194 HydrophobicContact CG2-CG2 3.76Å; I144-I496 HydrophobicContact CD1-CD1 3.68Å
145	T	96.2	Very high	97.3	Very high	45 Å²	45	51.4 Å²	51.4	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-41.7	-178.3	51.1	0	0	0	0	112.2	I91 L92 S143	I91-T145 HydrophobicContact CG1-CG2 4.37Å; I91-T145 HydrophobicContact CG2-CG2 4.42Å; L92-T145 HydrophobicContact CD2-CG2 3.71Å; S143-T145 PolarHBondContact O-N 3.19Å; S143-T145 VanDerWaalsContact O-N 3.09Å
146	S	96.8	Very high	97.2	Very high	85 Å²	85	54.8 Å²	54.8	59%	0.594	32%	0.319	S	S	*	.	H	α-helix	trans	-81.6	-33.8	175.2	-57.4	0	0	0	0	112.1	S143 I144 M148 L149	S143-S146 PolarHBondContact O-N 2.84Å; I144-S146 VanDerWaalsContact C-N 3.29Å; I144-S146 PolarHBondContact O-N 3.19Å; S146-M148 VanDerWaalsContact C-N 3.32Å; S146-M148 PolarHBondContact O-N 2.85Å; S146-L149 PolarHBondContact O-N 3.06Å
147	L	96.8	Very high	96.9	Very high	29 Å²	29	54.2 Å²	54.2	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-71.1	-24.6	-177.2	-64.7	172.5	0	0	0	113.5	S143 I144 K493 I496	S143-L147 WeakPolarHBondContact O-CG 3.21Å; S143-L147 PolarHBondContact O-N 2.98Å; I144-L147 HydrophobicContact CD1-CB 4.39Å; I144-L147 PolarHBondContact O-N 3.1Å; I144-L147 VanDerWaalsContact O-N 3.14Å; L147-K493 HydrophobicContact CD2-CG 4.38Å; L147-I496 HydrophobicContact CB-CD1 4.11Å; L147-I496 HydrophobicContact CB-CG1 4.08Å; L147-I496 HydrophobicContact CD1-CD1 4.09Å; L147-I496 HydrophobicContact CD1-CG1 4.18Å
148	M	97.3	Very high	96.6	Very high	20 Å²	20	61.4 Å²	61.4	10%	0.099	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-3	-179.9	-71.7	-70.4	-70.7	0	0	114.5	I91 I144 S146 G150 R166 C195 I496 T500	I91-M148 HydrophobicContact CD1-CB 3.49Å; I91-M148 VanDerWaalsContact CD1-CB 3.49Å; I91-M148 HydrophobicContact CD1-CG 3.65Å; I144-M148 HydrophobicContact CD1-CG 3.42Å; I144-M148 VanDerWaalsContact CD1-CG 3.42Å; I144-M148 HydrophobicContact CD1-SD 4.01Å; I144-M148 HydrophobicContact CG1-CG 3.56Å; I144-M148 WeakPolarHBondContact O-CB 3.32Å; I144-M148 WeakPolarHBondContact O-CG 3.41Å; I144-M148 PolarHBondContact O-N 2.98Å; S146-M148 VanDerWaalsContact C-N 3.32Å; S146-M148 PolarHBondContact O-N 2.85Å; M148-G150 PolarHBondContact O-N 2.74Å; M148-R166 HydrophobicContact CE-CB 4.31Å; M148-R166 HydrophobicContact CE-CG 4.13Å; M148-R166 VanDerWaalsContact CE-O 3.26Å; M148-R166 WeakPolarHBondContact CE-O 3.42Å; M148-R166 WeakPolarHBondContact O-CB 3.37Å; M148-R166 HydrophobicContact SD-CG 4.02Å; M148-C195 HydrophobicContact SD-CB 4.33Å; M148-I496 HydrophobicContact SD-CG2 4.5Å; M148-T500 HydrophobicContact CE-CG2 4.2Å; M148-T500 HydrophobicContact SD-CG2 3.87Å
149	L	97.4	Very high	96.3	Very high	123 Å²	123	64.4 Å²	64.4	64%	0.644	37%	0.365	S	S	*	.			trans	-58.4	137.7	178	-66.1	173.6	0	0	0	110.6	S146	S146-L149 PolarHBondContact O-N 3.06Å
150	G	96.3	Very high	96.1	Very high	35 Å²	35	63.2 Å²	63.2	36%	0.361	36%	0.36	S	S	.	.			trans	-87.9	-163.3	166.1	0	0	0	0	0	111.4	M148 T164	M148-G150 PolarHBondContact O-N 2.74Å; G150-T164 WeakPolarHBondContact CA-O 3.27Å
151	E	97.6	Very high	96.1	Very high	153 Å²	153	65 Å²	65	72%	0.715	37%	0.371	S	S	*	.			trans	-121.7	148.7	-179.7	-61.6	177.2	139.7	0	0	109.2	Y163 T164	E151-Y163 CarbonylContact O-C 3.57Å; E151-Y163 WeakPolarHBondContact O-CA 3.24Å; E151-T164 PolarHBondContact N-OG1 2.94Å; E151-T164 PolarHBondContact O-N 3.37Å; E151-T164 PolarHBondContact O-OG1 3.41Å
152	T	97.8	Very high	96.1	Very high	104 Å²	104	66.5 Å²	66.5	64%	0.638	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.1	177.8	-59.9	0	0	0	0	109.7
153	L	97.6	Very high	96.1	Very high	112 Å²	112	68.6 Å²	68.6	59%	0.586	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	103.6	172	-176.3	62.8	0	0	0	108.7	I156 T162	L153-I156 HydrophobicContact CB-CG2 4.32Å; L153-I156 HydrophobicContact CD2-CG2 3.7Å; L153-I156 HydrophobicContact CG-CG2 3.75Å; L153-T162 PolarHBondContact N-O 2.98Å; L153-T162 PolarHBondContact O-N 3.14Å
154	P	95.8	Very high	96.1	Very high	79 Å²	79	67 Å²	67	51%	0.513	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	160.2	180	32.5	-35.1	0	0	0	112	I156 D161	P154-I156 VanDerWaalsContact C-N 3.32Å; P154-I156 PolarHBondContact O-N 2.94Å; P154-D161 WeakPolarHBondContact CA-OD1 3.43Å
155	S	92.8	Very high	96.1	Very high	96 Å²	96	72.8 Å²	72.8	67%	0.671	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.8	42.8	169.9	-55.8	0	0	0	0	114.1	T157 M160 D161	S155-T157 PolarHBondContact O-N 3.35Å; S155-M160 CarbonylContact C-O 3.53Å; S155-M160 WeakPolarHBondContact CA-O 3.48Å; S155-M160 PolarHBondContact N-O 2.89Å; S155-D161 PolarHBondContact N-OD1 3.19Å
156	I	94.8	Very high	96.2	Very high	71 Å²	71	73 Å²	73	36%	0.364	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-23.1	174.2	58	155.3	0	0	0	111.7	L153 P154 M160 T162 T506	L153-I156 HydrophobicContact CB-CG2 4.32Å; L153-I156 HydrophobicContact CD2-CG2 3.7Å; L153-I156 HydrophobicContact CG-CG2 3.75Å; P154-I156 VanDerWaalsContact C-N 3.32Å; P154-I156 PolarHBondContact O-N 2.94Å; I156-M160 HydrophobicContact CD1-CE 3.26Å; I156-M160 HydrophobicContact CD1-CG 4.24Å; I156-M160 HydrophobicContact CG1-CB 4.42Å; I156-M160 HydrophobicContact CG1-CE 3.81Å; I156-M160 HydrophobicContact CG1-CG 4.16Å; I156-M160 WeakPolarHBondContact CG1-O 3.33Å; I156-M160 PolarHBondContact N-O 2.89Å; I156-T162 WeakPolarHBondContact CD1-OG1 3.39Å; I156-T506 HydrophobicContact CD1-CG2 4.02Å
157	T	93.6	Very high	96.3	Very high	27 Å²	27	71.2 Å²	71.2	17%	0.166	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	174.9	158.1	-177.4	0	0	0	0	107.6	S155 D159 M160 G527	S155-T157 PolarHBondContact O-N 3.35Å; T157-D159 PolarHBondContact O-N 3.12Å; T157-M160 HydrophobicContact CG2-CB 3.52Å; T157-M160 HydrophobicContact CG2-CE 3.56Å; T157-M160 HydrophobicContact CG2-CG 4.18Å; T157-M160 HydrophobicContact CG2-SD 3.86Å; T157-M160 PolarHBondContact O-N 3.22Å; T157-M160 VanDerWaalsContact O-N 3.14Å; T157-G527 PolarHBondContact OG1-O 3.36Å
158	K	91.8	Very high	96.4	Very high	152 Å²	152	70.7 Å²	70.7	66%	0.661	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	128.2	174	-173.8	-179.8	177.7	-174.9	0	111.3	M160	K158-M160 PolarHBondContact O-N 3.49Å
159	D	92.1	Very high	96.4	Very high	62 Å²	62	71 Å²	71	33%	0.332	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	23.8	176.7	-56.1	-21.1	0	0	0	114.9	T157 Q508 W509 A511	T157-D159 PolarHBondContact O-N 3.12Å; D159-Q508 WeakPolarHBondContact O-CA 3.37Å; D159-W509 WeakPolarHBondContact CB-O 3.46Å; D159-W509 PolarHBondContact O-N 3.02Å; D159-A511 PolarHBondContact OD2-N 2.82Å; D159-A511 VanDerWaalsContact OD2-N 3.09Å
160	M	95.1	Very high	96.5	Very high	43 Å²	43	65.5 Å²	65.5	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.8	-177	-169.2	168.9	95.6	0	0	113.1	S155 I156 T157 K158 T506 S507 Q508	S155-M160 CarbonylContact C-O 3.53Å; S155-M160 WeakPolarHBondContact CA-O 3.48Å; S155-M160 PolarHBondContact N-O 2.89Å; I156-M160 HydrophobicContact CD1-CE 3.26Å; I156-M160 HydrophobicContact CD1-CG 4.24Å; I156-M160 HydrophobicContact CG1-CB 4.42Å; I156-M160 HydrophobicContact CG1-CE 3.81Å; I156-M160 HydrophobicContact CG1-CG 4.16Å; I156-M160 WeakPolarHBondContact CG1-O 3.33Å; I156-M160 PolarHBondContact N-O 2.89Å; T157-M160 HydrophobicContact CG2-CB 3.52Å; T157-M160 HydrophobicContact CG2-CE 3.56Å; T157-M160 HydrophobicContact CG2-CG 4.18Å; T157-M160 HydrophobicContact CG2-SD 3.86Å; T157-M160 PolarHBondContact O-N 3.22Å; T157-M160 VanDerWaalsContact O-N 3.14Å; K158-M160 PolarHBondContact O-N 3.49Å; M160-T506 HydrophobicContact CE-CG2 3.72Å; M160-T506 HydrophobicContact CG-CG2 3.73Å; M160-T506 HydrophobicContact SD-CG2 3.66Å; M160-S507 VanDerWaalsContact CA-O 3.29Å; M160-S507 WeakPolarHBondContact CA-O 3.44Å; M160-Q508 HydrophobicContact CB-CB 4.18Å; M160-Q508 HydrophobicContact CB-CG 4.27Å; M160-Q508 HydrophobicContact CG-CB 3.97Å; M160-Q508 HydrophobicContact SD-CB 4.17Å
161	D	97.1	Very high	96.6	Very high	64 Å²	64	64 Å²	64	34%	0.342	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	159.2	178.3	-62.1	-29.1	0	0	0	110.9	P154 S155 T506 S507	P154-D161 WeakPolarHBondContact CA-OD1 3.43Å; S155-D161 PolarHBondContact N-OD1 3.19Å; D161-T506 WeakPolarHBondContact O-CA 3.41Å; D161-S507 PolarHBondContact N-O 3.24Å; D161-S507 PolarHBondContact O-N 3.14Å
162	T	98	Very high	96.7	Very high	31 Å²	31	56.8 Å²	56.8	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.8	165.4	-69.8	0	0	0	0	110.6	L153 I156 T504 I505 T506	L153-T162 PolarHBondContact N-O 2.98Å; L153-T162 PolarHBondContact O-N 3.14Å; I156-T162 WeakPolarHBondContact CD1-OG1 3.39Å; T162-T504 HydrophobicContact CG2-CG2 3.85Å; T162-I505 WeakPolarHBondContact CA-O 3.34Å; T162-T506 PolarHBondContact OG1-OG1 3.24Å
163	Y	98.3	Very high	96.8	Very high	55 Å²	55	51.8 Å²	51.8	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161.3	176.5	55	-92.2	0	0	0	112.1	E151 Y165 I505	E151-Y163 CarbonylContact O-C 3.57Å; E151-Y163 WeakPolarHBondContact O-CA 3.24Å; Y163-Y165 AromaticContact CD2-CE1 3.9Å; Y163-Y165 HydrophobicContact CD2-CE1 3.9Å; Y163-Y165 HydrophobicContact CD2-CE2 4.35Å; Y163-Y165 AromaticContact CD2-CZ 3.79Å; Y163-Y165 HydrophobicContact CE2-CE1 4.02Å; Y163-Y165 AromaticContact CE2-CE2 3.83Å; Y163-Y165 HydrophobicContact CE2-CE2 3.83Å; Y163-Y165 AromaticContact CE2-CZ 3.42Å; Y163-Y165 VanDerWaalsContact CE2-CZ 3.42Å; Y163-Y165 WeakPolarHBondContact CE2-OH 3.46Å; Y163-I505 HydrophobicContact CD2-CB 4.03Å; Y163-I505 HydrophobicContact CD2-CD1 4Å; Y163-I505 HydrophobicContact CD2-CG1 4.48Å; Y163-I505 HydrophobicContact CE1-CB 4.39Å; Y163-I505 HydrophobicContact CE1-CG2 4.21Å; Y163-I505 HydrophobicContact CE2-CB 3.57Å; Y163-I505 HydrophobicContact CE2-CD1 3.79Å; Y163-I505 HydrophobicContact CE2-CG1 3.93Å; Y163-I505 HydrophobicContact CE2-CG2 3.92Å; Y163-I505 PolarHBondContact N-O 3.46Å; Y163-I505 PolarHBondContact O-N 2.86Å; Y163-I505 WeakPolarHBondContact OH-CG2 3.29Å
164	T	98.4	Very high	96.8	Very high	21 Å²	21	46.5 Å²	46.5	13%	0.129	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.3	179.6	64.3	0	0	0	0	112.6	G150 E151 I502 K503 T504	G150-T164 WeakPolarHBondContact CA-O 3.27Å; E151-T164 PolarHBondContact N-OG1 2.94Å; E151-T164 PolarHBondContact O-N 3.37Å; E151-T164 PolarHBondContact O-OG1 3.41Å; T164-I502 HydrophobicContact CG2-CG2 3.84Å; T164-K503 CarbonylContact C-O 3.46Å; T164-K503 VanDerWaalsContact CA-O 3.27Å; T164-K503 WeakPolarHBondContact CA-O 3.32Å; T164-T504 HydrophobicContact CG2-CG2 4.15Å
165	Y	97.9	Very high	97	Very high	121 Å²	121	43 Å²	43	48%	0.475	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.4	166.7	-60.2	-40.3	0	0	0	110.3	Y163 I502 K503 I505	Y163-Y165 AromaticContact CD2-CE1 3.9Å; Y163-Y165 HydrophobicContact CD2-CE1 3.9Å; Y163-Y165 HydrophobicContact CD2-CE2 4.35Å; Y163-Y165 AromaticContact CD2-CZ 3.79Å; Y163-Y165 HydrophobicContact CE2-CE1 4.02Å; Y163-Y165 AromaticContact CE2-CE2 3.83Å; Y163-Y165 HydrophobicContact CE2-CE2 3.83Å; Y163-Y165 AromaticContact CE2-CZ 3.42Å; Y163-Y165 VanDerWaalsContact CE2-CZ 3.42Å; Y163-Y165 WeakPolarHBondContact CE2-OH 3.46Å; Y165-I502 WeakPolarHBondContact O-CA 3.13Å; Y165-K503 PolarHBondContact N-O 3.49Å; Y165-K503 PolarHBondContact O-N 2.99Å; Y165-I505 HydrophobicContact CD2-CD1 3.42Å; Y165-I505 VanDerWaalsContact CD2-CD1 3.42Å; Y165-I505 HydrophobicContact CE2-CD1 3.61Å; Y165-I505 HydrophobicContact CE2-CG1 4.45Å; Y165-I505 HydrophobicContact CG-CD1 4.12Å
166	R	97.8	Very high	97.2	Very high	50 Å²	50	38.7 Å²	38.7	19%	0.189	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.3	169	-171.7	177.2	-64.3	-78.6	-2.1	109.3	M148 T500 I502	M148-R166 HydrophobicContact CE-CB 4.31Å; M148-R166 HydrophobicContact CE-CG 4.13Å; M148-R166 VanDerWaalsContact CE-O 3.26Å; M148-R166 WeakPolarHBondContact CE-O 3.42Å; M148-R166 WeakPolarHBondContact O-CB 3.37Å; M148-R166 HydrophobicContact SD-CG 4.02Å; R166-T500 WeakPolarHBondContact CD-OG1 3.19Å; R166-T500 HydrophobicContact CG-CG2 3.64Å; R166-T500 WeakPolarHBondContact CG-OG1 3.17Å; R166-T500 PolarHBondContact NH1-OG1 3Å; R166-I502 HydrophobicContact CB-CD1 4.24Å; R166-I502 HydrophobicContact CG-CD1 4.36Å
167	L	98.2	Very high	97.4	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.9	-173.5	-57.4	179.2	0	0	0	111.1	T500 Q501 K503	L167-T500 CarbonylContact O-C 3.53Å; L167-T500 WeakPolarHBondContact O-CA 3.46Å; L167-T500 VanDerWaalsContact O-CB 3.29Å; L167-T500 WeakPolarHBondContact O-CB 3.37Å; L167-Q501 HydrophobicContact CB-CG 4.25Å; L167-Q501 PolarHBondContact N-O 2.91Å; L167-Q501 PolarHBondContact O-N 2.94Å; L167-K503 HydrophobicContact CD1-CB 3.88Å; L167-K503 HydrophobicContact CD1-CD 3.93Å
168	P	98.6	Very high	97.7	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.123	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	158.9	169.4	29.5	-35	0	0	0	110.9	F83 G196 N197	F83-P168 HydrophobicContact CE2-CB 4.01Å; F83-P168 HydrophobicContact CE2-CG 4.12Å; F83-P168 HydrophobicContact CZ-CB 4.42Å; F83-P168 HydrophobicContact CZ-CG 4.29Å; P168-G196 VanDerWaalsContact CB-C 3.49Å; P168-N197 WeakPolarHBondContact CB-OD1 3.48Å
169	I	98.6	Very high	98	Very high	27 Å²	27	29.5 Å²	29.5	14%	0.138	15%	0.145	C	C	.	.			trans	-104.7	-20.5	-173.5	58.8	174.9	0	0	0	113.8	N197 K248 A249 Q501	I169-N197 WeakPolarHBondContact CG1-OD1 3.17Å; I169-N197 PolarHBondContact N-OD1 3.27Å; I169-K248 HydrophobicContact CD1-CB 4.33Å; I169-K248 HydrophobicContact CG1-CB 4.39Å; I169-K248 WeakPolarHBondContact O-CG 3.44Å; I169-A249 HydrophobicContact CD1-CB 3.61Å; I169-Q501 HydrophobicContact CG2-CB 3.93Å; I169-Q501 HydrophobicContact CG2-CG 3.98Å
170	G	98.8	Very high	98.3	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	14%	0.135	C	C	.	.	S	Bend	trans	137.2	-135.2	176.8	0	0	0	0	0	113.6	F83 N197 T198	F83-G170 VanDerWaalsContact CE2-CA 3.49Å; F83-G170 VanDerWaalsContact CZ-CA 3.49Å; G170-N197 PolarHBondContact N-OD1 3.36Å; G170-N197 WeakPolarHBondContact O-CA 3.23Å; G170-N197 VanDerWaalsContact O-CB 3.23Å; G170-N197 WeakPolarHBondContact O-CB 3.47Å; G170-N197 PolarHBondContact O-OD1 2.72Å; G170-T198 PolarHBondContact O-N 2.78Å
171	V	98.9	Very high	98.5	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.5	171.6	-175.3	0	0	0	0	109	C79 I247 K248	C79-V171 HydrophobicContact CB-CB 4.36Å; C79-V171 HydrophobicContact CB-CG1 3.65Å; C79-V171 HydrophobicContact CB-CG2 3.79Å; V171-I247 HydrophobicContact CG1-CG1 4.18Å; V171-I247 WeakPolarHBondContact O-CA 3.16Å; V171-K248 PolarHBondContact O-N 3.26Å
172	C	98.9	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	156.9	173.2	-65.1	0	0	0	0	110	T198 Y199 L200 Y499	C172-T198 PolarHBondContact N-O 2.99Å; C172-Y199 HydrophobicContact CB-CD2 3.72Å; C172-Y199 HydrophobicContact CB-CE2 3.64Å; C172-Y199 CarbonylContact O-C 3.58Å; C172-Y199 WeakPolarHBondContact O-CA 3.41Å; C172-L200 PolarHBondContact O-N 2.77Å; C172-Y499 HydrophobicContact CB-CD1 4.22Å; C172-Y499 HydrophobicContact CB-CE1 4.11Å
173	A	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.5	177.4	0	0	0	0	0	112.4	Y199 L200 I241 I247 A249 I250 S251	A173-Y199 PolarHBondContact O-OH 3.21Å; A173-L200 CarbonylContact C-O 3.46Å; A173-L200 WeakPolarHBondContact CA-O 3.35Å; A173-L200 HydrophobicContact CB-CB 4.36Å; A173-I241 HydrophobicContact CB-CG1 4.41Å; A173-I241 HydrophobicContact CB-CG2 3.51Å; A173-I247 HydrophobicContact CB-CD1 4.32Å; A173-I247 HydrophobicContact CB-CG2 3.82Å; A173-A249 PolarHBondContact N-O 3.46Å; A173-I250 CarbonylContact O-C 3.39Å; A173-I250 WeakPolarHBondContact O-CA 3.46Å; A173-S251 PolarHBondContact O-N 3.29Å
174	G	98.9	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.1	176.9	0	0	0	0	0	111	L200 K202 S251	G174-L200 PolarHBondContact N-O 2.78Å; G174-K202 PolarHBondContact O-N 2.88Å; G174-S251 CarbonylContact C-O 3.59Å; G174-S251 VanDerWaalsContact CA-O 3.27Å; G174-S251 WeakPolarHBondContact CA-O 3.47Å
175	I	98.9	Very high	98.6	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.7	175.3	-61	165.3	0	0	0	107.1	K202 V238 I241 I250 S251 F252 V253 I262	I175-K202 WeakPolarHBondContact CA-O 3.22Å; I175-K202 HydrophobicContact CG1-CB 4.4Å; I175-K202 HydrophobicContact CG2-CD 4.39Å; I175-V238 HydrophobicContact CD1-CG1 4.17Å; I175-V238 HydrophobicContact CD1-CG2 4.29Å; I175-V238 HydrophobicContact CG2-CG2 4.43Å; I175-I241 HydrophobicContact CD1-CB 4.43Å; I175-I241 HydrophobicContact CD1-CD1 4.14Å; I175-I241 HydrophobicContact CD1-CG2 4.08Å; I175-I241 HydrophobicContact CG1-CD1 3.83Å; I175-I250 HydrophobicContact CD1-CG2 4.26Å; I175-S251 PolarHBondContact N-O 3.19Å; I175-F252 HydrophobicContact CB-CD2 3.85Å; I175-F252 HydrophobicContact CG2-CD2 3.69Å; I175-F252 HydrophobicContact CG2-CE2 4.01Å; I175-V253 PolarHBondContact O-N 2.72Å; I175-I262 HydrophobicContact CD1-CD1 3.87Å; I175-I262 HydrophobicContact CD1-CG1 4.49Å
176	A	98.7	Very high	98.7	Very high	6 Å²	6	12.6 Å²	12.6	5%	0.05	7%	0.065	C	C	.	.			trans	-107.7	145.9	-171.3	0	0	0	0	0	112.4	I184 P185 K202 S204	A176-I184 HydrophobicContact CB-CG2 4.04Å; A176-P185 HydrophobicContact CB-CG 3.81Å; A176-K202 PolarHBondContact N-O 3.26Å; A176-K202 VanDerWaalsContact N-O 3.11Å; A176-S204 PolarHBondContact O-N 2.98Å; A176-S204 VanDerWaalsContact O-N 3.1Å
177	P	98.6	Very high	98.7	Very high	17 Å²	17	10.5 Å²	10.5	11%	0.11	6%	0.057	C	C	.	.			trans	-85.2	176.5	-179.1	38.1	-36.1	0	0	0	111.3	N179 I184 V253	P177-N179 WeakPolarHBondContact CG-OD1 3.5Å; P177-I184 HydrophobicContact CG-CD1 3.32Å; P177-V253 WeakPolarHBondContact CB-O 3.36Å; P177-V253 VanDerWaalsContact CD-O 3.22Å; P177-V253 WeakPolarHBondContact CD-O 3.31Å; P177-V253 HydrophobicContact CG-CB 4.26Å; P177-V253 HydrophobicContact CG-CG1 4.05Å
178	F	98.6	Very high	98.7	Very high	33 Å²	33	8.3 Å²	8.3	15%	0.145	5%	0.045	C	C	.	.	S	Bend	trans	-79.1	-23.4	-177	72.8	-94.3	0	0	0	114.3	Q120 F180 R206 V207 Q308 I352 F412	Q120-F178 HydrophobicContact CG-CD2 4.39Å; Q120-F178 VanDerWaalsContact CG-O 3.31Å; Q120-F178 WeakPolarHBondContact CG-O 3.37Å; F178-F180 PolarHBondContact O-N 3.22Å; F178-R206 HydrophobicContact CB-CB 4.26Å; F178-V207 VanDerWaalsContact CA-CG2 3.46Å; F178-V207 HydrophobicContact CB-CG1 4.49Å; F178-V207 HydrophobicContact CB-CG2 3.89Å; F178-V207 WeakPolarHBondContact O-CG2 3.27Å; F178-Q308 HydrophobicContact CE2-CB 4.42Å; F178-I352 HydrophobicContact CB-CG1 4.37Å; F178-I352 HydrophobicContact CD2-CB 3.7Å; F178-I352 HydrophobicContact CD2-CD1 3.93Å; F178-I352 HydrophobicContact CD2-CG1 3.55Å; F178-I352 HydrophobicContact CD2-CG2 3.99Å; F178-I352 HydrophobicContact CE1-CG2 4.14Å; F178-I352 HydrophobicContact CE2-CB 3.56Å; F178-I352 HydrophobicContact CE2-CG1 3.98Å; F178-I352 HydrophobicContact CE2-CG2 3.55Å; F178-I352 HydrophobicContact CG-CB 4.44Å; F178-I352 HydrophobicContact CG-CD1 4.49Å; F178-I352 HydrophobicContact CG-CG1 3.96Å; F178-I352 HydrophobicContact CG-CG2 4.47Å; F178-I352 HydrophobicContact CZ-CB 4.17Å; F178-I352 HydrophobicContact CZ-CG2 3.61Å; F178-F412 HydrophobicContact CE1-CE1 4.15Å; F178-F412 HydrophobicContact CE2-CE1 4.23Å; F178-F412 AromaticContact CZ-CD1 3.94Å; F178-F412 HydrophobicContact CZ-CD1 3.94Å; F178-F412 AromaticContact CZ-CE1 3.52Å; F178-F412 HydrophobicContact CZ-CE1 3.52Å
179	N	98.4	Very high	98.7	Very high	7 Å²	7	7.4 Å²	7.4	4%	0.037	4%	0.04	C	C	.	.	S	Bend	trans	-79.8	-21.6	-164	66	-43	0	0	0	113.6	K122 P177 Q308 F412	K122-N179 WeakPolarHBondContact CE-O 3.41Å; K122-N179 PolarHBondContact NZ-O 2.79Å; P177-N179 WeakPolarHBondContact CG-OD1 3.5Å; N179-Q308 VanDerWaalsContact CB-O 3.22Å; N179-Q308 WeakPolarHBondContact CB-O 3.47Å; N179-Q308 PolarHBondContact ND2-O 2.83Å; N179-F412 HydrophobicContact CB-CE1 4.09Å; N179-F412 HydrophobicContact CB-CZ 4.07Å
180	F	98.6	Very high	98.7	Very high	24 Å²	24	6.1 Å²	6.1	11%	0.105	3%	0.033	C	C	.	.			trans	-137.8	77.9	172.4	-67	-84.2	0	0	0	111.3	D130 F178 A182 M183 I184 P185 R309	D130-F180 HydrophobicContact CB-CD1 4.06Å; D130-F180 VanDerWaalsContact OD2-CA 3.3Å; D130-F180 WeakPolarHBondContact OD2-CA 3.07Å; F178-F180 PolarHBondContact O-N 3.22Å; F180-A182 PolarHBondContact O-N 3Å; F180-M183 HydrophobicContact CB-CB 4.01Å; F180-M183 HydrophobicContact CB-CE 3.98Å; F180-M183 HydrophobicContact CD1-CB 4.34Å; F180-M183 HydrophobicContact CD1-CE 3.65Å; F180-M183 HydrophobicContact CD1-SD 4.3Å; F180-M183 HydrophobicContact CD2-CE 3.71Å; F180-M183 HydrophobicContact CE1-CE 3.98Å; F180-M183 HydrophobicContact CE2-CE 4.04Å; F180-M183 HydrophobicContact CG-CB 4.48Å; F180-M183 HydrophobicContact CG-CE 3.52Å; F180-M183 HydrophobicContact CZ-CE 4.16Å; F180-I184 HydrophobicContact CB-CD1 3.79Å; F180-I184 HydrophobicContact CB-CG1 3.88Å; F180-I184 HydrophobicContact CD2-CD1 4.17Å; F180-I184 HydrophobicContact CG-CD1 4.45Å; F180-I184 PolarHBondContact O-N 3.47Å; F180-P185 WeakPolarHBondContact O-CD 3.1Å; F180-R309 HydrophobicContact CE2-CB 4.17Å; F180-R309 HydrophobicContact CE2-CG 4.18Å; F180-R309 HydrophobicContact CZ-CB 4.2Å; F180-R309 HydrophobicContact CZ-CG 3.82Å
181	P	98.6	Very high	98.7	Very high	6 Å²	6	5.9 Å²	5.9	4%	0.039	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.4	-175.4	29.3	-38.2	0	0	0	115	I116 D130 P185 V207 C210	I116-P181 HydrophobicContact CB-CG 4.22Å; I116-P181 HydrophobicContact CD1-CG 4.23Å; I116-P181 HydrophobicContact CG1-CG 3.79Å; I116-P181 HydrophobicContact CG2-CG 3.75Å; D130-P181 WeakPolarHBondContact OD2-CD 3.24Å; P181-P185 WeakPolarHBondContact O-CG 3.37Å; P181-V207 HydrophobicContact CB-CB 4.01Å; P181-V207 HydrophobicContact CB-CG2 3.7Å; P181-V207 HydrophobicContact CG-CB 4.23Å; P181-V207 HydrophobicContact CG-CG2 4.21Å; P181-C210 HydrophobicContact CB-CB 4.09Å; P181-C210 HydrophobicContact CG-CB 4.39Å
182	A	98.8	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-58.5	169.3	0	0	0	0	0	111.7	I116 D130 V131 F180 I184 P185 L186 L214	I116-A182 HydrophobicContact CD1-CB 3.81Å; D130-A182 PolarHBondContact OD1-N 3.21Å; V131-A182 HydrophobicContact CB-CB 4.44Å; V131-A182 HydrophobicContact CG2-CB 3.89Å; F180-A182 PolarHBondContact O-N 3Å; A182-I184 PolarHBondContact O-N 3.05Å; A182-P185 WeakPolarHBondContact O-CD 3.34Å; A182-L186 WeakPolarHBondContact O-CB 3.35Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.2Å; A182-L214 HydrophobicContact CB-CD1 4.32Å
183	M	98.7	Very high	98.7	Very high	11 Å²	11	5.7 Å²	5.7	5%	0.054	3%	0.029	C	C	.	.	H	α-helix	trans	-53.9	-50	-172.6	-173.8	179.2	72.1	0	0	111.9	D130 R133 F180 L186 W187	D130-M183 WeakPolarHBondContact O-CB 3.31Å; D130-M183 WeakPolarHBondContact OD1-CB 3.22Å; D130-M183 PolarHBondContact OD1-N 3.07Å; R133-M183 HydrophobicContact CB-CG 3.89Å; R133-M183 HydrophobicContact CB-SD 3.53Å; R133-M183 VanDerWaalsContact CB-SD 3.53Å; R133-M183 HydrophobicContact CG-SD 4.31Å; F180-M183 HydrophobicContact CB-CB 4.01Å; F180-M183 HydrophobicContact CB-CE 3.98Å; F180-M183 HydrophobicContact CD1-CB 4.34Å; F180-M183 HydrophobicContact CD1-CE 3.65Å; F180-M183 HydrophobicContact CD1-SD 4.3Å; F180-M183 HydrophobicContact CD2-CE 3.71Å; F180-M183 HydrophobicContact CE1-CE 3.98Å; F180-M183 HydrophobicContact CE2-CE 4.04Å; F180-M183 HydrophobicContact CG-CB 4.48Å; F180-M183 HydrophobicContact CG-CE 3.52Å; F180-M183 HydrophobicContact CZ-CE 4.16Å; M183-L186 CarbonylContact O-C 3.54Å; M183-L186 PolarHBondContact O-N 3.4Å; M183-W187 HydrophobicContact CE-CH2 3.83Å; M183-W187 HydrophobicContact CE-CZ2 3.52Å; M183-W187 HydrophobicContact CG-CD2 4.49Å; M183-W187 HydrophobicContact CG-CZ2 3.79Å; M183-W187 VanDerWaalsContact CG-NE1 3.27Å; M183-W187 PolarHBondContact O-N 3.38Å; M183-W187 HydrophobicContact SD-CH2 4.46Å; M183-W187 HydrophobicContact SD-CZ2 3.59Å; M183-W187 VanDerWaalsContact SD-CZ2 3.59Å
184	I	98.8	Very high	98.7	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-73	-44.9	-172.5	-67.1	170.3	0	0	0	112.2	A176 P177 F180 A182 L186 W187 M188 V253	A176-I184 HydrophobicContact CB-CG2 4.04Å; P177-I184 HydrophobicContact CG-CD1 3.32Å; F180-I184 HydrophobicContact CB-CD1 3.79Å; F180-I184 HydrophobicContact CB-CG1 3.88Å; F180-I184 HydrophobicContact CD2-CD1 4.17Å; F180-I184 HydrophobicContact CG-CD1 4.45Å; F180-I184 PolarHBondContact O-N 3.47Å; A182-I184 PolarHBondContact O-N 3.05Å; I184-L186 PolarHBondContact O-N 3.1Å; I184-W187 HydrophobicContact CG1-CE3 4.36Å; I184-W187 WeakPolarHBondContact O-CB 3.39Å; I184-W187 PolarHBondContact O-N 3.32Å; I184-M188 HydrophobicContact CG2-CE 3.51Å; I184-M188 HydrophobicContact CG2-SD 4.38Å; I184-M188 WeakPolarHBondContact O-CG 3.38Å; I184-M188 PolarHBondContact O-N 3.34Å; I184-V253 HydrophobicContact CD1-CB 4.32Å; I184-V253 HydrophobicContact CD1-CG1 3.81Å; I184-V253 HydrophobicContact CG2-CB 3.89Å; I184-V253 HydrophobicContact CG2-CG2 3.79Å
185	P	98.8	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-53.4	-39.5	168.4	-32.5	40.2	0	0	0	113.2	A176 F180 P181 A182 W187 M188 F189 P190 L201	A176-P185 HydrophobicContact CB-CG 3.81Å; F180-P185 WeakPolarHBondContact O-CD 3.1Å; P181-P185 WeakPolarHBondContact O-CG 3.37Å; A182-P185 WeakPolarHBondContact O-CD 3.34Å; P185-W187 VanDerWaalsContact C-N 3.29Å; P185-W187 PolarHBondContact O-N 3.44Å; P185-M188 WeakPolarHBondContact O-CB 3.33Å; P185-M188 PolarHBondContact O-N 3.48Å; P185-F189 HydrophobicContact CB-CD1 4.35Å; P185-F189 HydrophobicContact CB-CE1 4.15Å; P185-F189 WeakPolarHBondContact O-CD1 3.37Å; P185-F189 PolarHBondContact O-N 3.47Å; P185-F189 VanDerWaalsContact O-N 3.16Å; P185-P190 WeakPolarHBondContact O-CD 3.35Å; P185-L201 HydrophobicContact CB-CD1 4.4Å; P185-L201 HydrophobicContact CB-CD2 4.11Å
186	L	98.8	Very high	98.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-72.6	-18.2	178.2	-67.2	174	0	0	0	114	Y101 I105 V137 V138 A182 M183 I184 M188 F189 P190 L214	Y101-L186 HydrophobicContact CE1-CD2 3.93Å; I105-L186 HydrophobicContact CD1-CD1 4.09Å; I105-L186 HydrophobicContact CD1-CD2 3.99Å; V137-L186 WeakPolarHBondContact CG1-O 3.28Å; V138-L186 HydrophobicContact CG2-CB 4.44Å; V138-L186 HydrophobicContact CG2-CD2 3.8Å; V138-L186 HydrophobicContact CG2-CG 4.5Å; A182-L186 WeakPolarHBondContact O-CB 3.35Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.2Å; M183-L186 CarbonylContact O-C 3.54Å; M183-L186 PolarHBondContact O-N 3.4Å; I184-L186 PolarHBondContact O-N 3.1Å; L186-M188 PolarHBondContact O-N 2.74Å; L186-F189 HydrophobicContact CD2-CE1 3.98Å; L186-F189 HydrophobicContact CD2-CZ 3.69Å; L186-P190 HydrophobicContact CB-CG 4.41Å; L186-P190 HydrophobicContact CD2-CG 3.78Å; L186-P190 WeakPolarHBondContact O-CD 3.35Å; L186-P190 WeakPolarHBondContact O-CG 3.3Å; L186-L214 HydrophobicContact CD1-CD1 4.14Å; L186-L214 HydrophobicContact CD1-CD2 4.16Å; L186-L214 HydrophobicContact CD2-CD1 4.17Å; L186-L214 HydrophobicContact CD2-CD2 4.27Å; L186-L214 HydrophobicContact CG-CD1 3.95Å
187	W	98.5	Very high	98.7	Very high	7 Å²	7	5.1 Å²	5.1	3%	0.027	3%	0.025	C	C	.	.	H	α-helix	trans	-72.1	-18.7	167.2	-67	3.3	0	0	0	113.1	V137 M183 I184 P185 F477 F490 Y491	V137-W187 VanDerWaalsContact CG2-CD1 3.5Å; V137-W187 HydrophobicContact CG2-CG 4.5Å; M183-W187 HydrophobicContact CE-CH2 3.83Å; M183-W187 HydrophobicContact CE-CZ2 3.52Å; M183-W187 HydrophobicContact CG-CD2 4.49Å; M183-W187 HydrophobicContact CG-CZ2 3.79Å; M183-W187 VanDerWaalsContact CG-NE1 3.27Å; M183-W187 PolarHBondContact O-N 3.38Å; M183-W187 HydrophobicContact SD-CH2 4.46Å; M183-W187 HydrophobicContact SD-CZ2 3.59Å; M183-W187 VanDerWaalsContact SD-CZ2 3.59Å; I184-W187 HydrophobicContact CG1-CE3 4.36Å; I184-W187 WeakPolarHBondContact O-CB 3.39Å; I184-W187 PolarHBondContact O-N 3.32Å; P185-W187 VanDerWaalsContact C-N 3.29Å; P185-W187 PolarHBondContact O-N 3.44Å; W187-F477 HydrophobicContact CH2-CB 4.45Å; W187-F477 AromaticContact CH2-CD2 3.46Å; W187-F477 HydrophobicContact CH2-CD2 3.46Å; W187-F477 VanDerWaalsContact CH2-CD2 3.46Å; W187-F477 AromaticContact CH2-CE2 3.85Å; W187-F477 HydrophobicContact CH2-CE2 3.85Å; W187-F477 HydrophobicContact CH2-CG 4.03Å; W187-F477 HydrophobicContact CZ2-CD2 4.42Å; W187-F477 HydrophobicContact CZ3-CB 4.18Å; W187-F477 HydrophobicContact CZ3-CD1 4.44Å; W187-F477 AromaticContact CZ3-CD2 3.81Å; W187-F477 HydrophobicContact CZ3-CD2 3.81Å; W187-F477 HydrophobicContact CZ3-CE2 4.3Å; W187-F477 AromaticContact CZ3-CG 3.89Å; W187-F477 HydrophobicContact CZ3-CG 3.89Å; W187-F490 HydrophobicContact CE3-CB 4.38Å; W187-Y491 HydrophobicContact CB-CD1 3.96Å; W187-Y491 AromaticContact CD1-CD1 3.89Å; W187-Y491 AromaticContact CD2-CD1 3.55Å; W187-Y491 HydrophobicContact CD2-CD1 3.55Å; W187-Y491 AromaticContact CD2-CE1 3.45Å; W187-Y491 HydrophobicContact CD2-CE1 3.45Å; W187-Y491 VanDerWaalsContact CD2-CE1 3.45Å; W187-Y491 AromaticContact CE2-CD1 3.9Å; W187-Y491 AromaticContact CE2-CE1 3.43Å; W187-Y491 VanDerWaalsContact CE2-CE1 3.43Å; W187-Y491 AromaticContact CE3-CD1 3.99Å; W187-Y491 HydrophobicContact CE3-CD1 3.99Å; W187-Y491 AromaticContact CE3-CE1 3.72Å; W187-Y491 HydrophobicContact CE3-CE1 3.72Å; W187-Y491 AromaticContact CG-CD1 3.54Å; W187-Y491 HydrophobicContact CG-CD1 3.54Å; W187-Y491 AromaticContact CG-CE1 3.94Å; W187-Y491 HydrophobicContact CG-CE1 3.94Å; W187-Y491 AromaticContact CH2-CE1 3.97Å; W187-Y491 HydrophobicContact CH2-CE1 3.97Å; W187-Y491 AromaticContact CZ2-CE1 3.71Å; W187-Y491 HydrophobicContact CZ2-CE1 3.71Å; W187-Y491 AromaticContact CZ3-CE1 3.97Å; W187-Y491 HydrophobicContact CZ3-CE1 3.97Å; W187-Y491 AromaticContact NE1-CE1 3.89Å
188	M	98.7	Very high	98.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-105.1	-81.9	-166.1	-70.9	-175.8	-175.5	0	0	111.8	I184 P185 L186 M191 G192 Y199 S251 V253 F490 Y499	I184-M188 HydrophobicContact CG2-CE 3.51Å; I184-M188 HydrophobicContact CG2-SD 4.38Å; I184-M188 WeakPolarHBondContact O-CG 3.38Å; I184-M188 PolarHBondContact O-N 3.34Å; P185-M188 WeakPolarHBondContact O-CB 3.33Å; P185-M188 PolarHBondContact O-N 3.48Å; L186-M188 PolarHBondContact O-N 2.74Å; M188-M191 PolarHBondContact O-N 2.56Å; M188-G192 PolarHBondContact O-N 3.47Å; M188-G192 VanDerWaalsContact O-N 3.13Å; M188-Y199 HydrophobicContact CB-CE1 4.26Å; M188-Y199 WeakPolarHBondContact CB-OH 3.22Å; M188-S251 WeakPolarHBondContact CE-O 3.16Å; M188-S251 WeakPolarHBondContact CG-OG 3.32Å; M188-V253 HydrophobicContact CE-CB 4.21Å; M188-V253 HydrophobicContact CE-CG2 3.64Å; M188-F490 HydrophobicContact CE-CE1 4.37Å; M188-Y499 PolarHBondContact O-OH 3.45Å
189	F	98.8	Very high	98.7	Very high	1 Å²	1	2.8 Å²	2.8	0%	0.004	1%	0.013	C	C	.	.	H	α-helix	trans	-66.3	-36	-168.3	77.1	-95.1	0	0	0	113.8	Y101 P185 L186 M191 G192 M193 Y199 L201 L218 L228	Y101-F189 HydrophobicContact CE1-CE2 4.09Å; Y101-F189 HydrophobicContact CE1-CZ 4.15Å; Y101-F189 WeakPolarHBondContact OH-CZ 3.19Å; P185-F189 HydrophobicContact CB-CD1 4.35Å; P185-F189 HydrophobicContact CB-CE1 4.15Å; P185-F189 WeakPolarHBondContact O-CD1 3.37Å; P185-F189 PolarHBondContact O-N 3.47Å; P185-F189 VanDerWaalsContact O-N 3.16Å; L186-F189 HydrophobicContact CD2-CE1 3.98Å; L186-F189 HydrophobicContact CD2-CZ 3.69Å; F189-M191 VanDerWaalsContact C-N 3.35Å; F189-M191 PolarHBondContact O-N 3.14Å; F189-G192 PolarHBondContact O-N 2.93Å; F189-M193 HydrophobicContact CD2-SD 3.89Å; F189-M193 VanDerWaalsContact O-CB 3.27Å; F189-M193 WeakPolarHBondContact O-CB 3.33Å; F189-M193 VanDerWaalsContact O-CG 3.27Å; F189-M193 WeakPolarHBondContact O-CG 3.36Å; F189-M193 PolarHBondContact O-N 2.95Å; F189-Y199 HydrophobicContact CB-CD1 3.34Å; F189-Y199 HydrophobicContact CB-CD2 4.02Å; F189-Y199 HydrophobicContact CB-CE1 3.74Å; F189-Y199 HydrophobicContact CB-CE2 4.37Å; F189-Y199 HydrophobicContact CB-CG 3.49Å; F189-Y199 VanDerWaalsContact CB-CG 3.49Å; F189-L201 HydrophobicContact CD1-CD2 4.31Å; F189-L218 HydrophobicContact CD2-CD2 4.09Å; F189-L218 HydrophobicContact CE2-CD2 3.8Å; F189-L228 HydrophobicContact CB-CD1 4.09Å; F189-L228 HydrophobicContact CD2-CD1 4.28Å; F189-L228 HydrophobicContact CD2-CD2 4.27Å; F189-L228 HydrophobicContact CE2-CD2 4.32Å; F189-L228 HydrophobicContact CG-CD1 4.09Å
190	P	98.6	Very high	98.7	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-61.2	-45.1	178.9	-25	37	0	0	0	111.9	F98 Y101 V138 P185 L186 M193 V194	F98-P190 HydrophobicContact CD1-CB 4.25Å; F98-P190 HydrophobicContact CE1-CB 3.69Å; Y101-P190 HydrophobicContact CE1-CG 4.48Å; V138-P190 HydrophobicContact CG2-CB 4.19Å; V138-P190 HydrophobicContact CG2-CG 4.04Å; P185-P190 WeakPolarHBondContact O-CD 3.35Å; L186-P190 HydrophobicContact CB-CG 4.41Å; L186-P190 HydrophobicContact CD2-CG 3.78Å; L186-P190 WeakPolarHBondContact O-CD 3.35Å; L186-P190 WeakPolarHBondContact O-CG 3.3Å; P190-M193 PolarHBondContact O-N 2.88Å; P190-V194 WeakPolarHBondContact O-CB 3.34Å; P190-V194 WeakPolarHBondContact O-CG1 3.07Å; P190-V194 PolarHBondContact O-N 3.41Å
191	M	98.5	Very high	98.7	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-64.1	-44.8	178.1	-67.8	-58.2	-60.5	0	0	111.7	V137 A141 M188 F189 V194 C195 I496 Y499	V137-M191 HydrophobicContact CG1-CG 3.88Å; V137-M191 HydrophobicContact CG1-SD 4.05Å; A141-M191 HydrophobicContact CB-SD 3.79Å; M188-M191 PolarHBondContact O-N 2.56Å; F189-M191 VanDerWaalsContact C-N 3.35Å; F189-M191 PolarHBondContact O-N 3.14Å; M191-V194 WeakPolarHBondContact O-CG1 3.45Å; M191-C195 PolarHBondContact O-N 2.78Å; M191-C195 PolarHBondContact O-SG 2.73Å; M191-C195 VanDerWaalsContact O-SG 3.36Å; M191-I496 HydrophobicContact CE-CD1 3.44Å; M191-I496 VanDerWaalsContact CE-CD1 3.44Å; M191-I496 HydrophobicContact CE-CG1 3.81Å; M191-Y499 HydrophobicContact CB-CD2 3.93Å; M191-Y499 HydrophobicContact CB-CE2 3.8Å
192	G	98.4	Very high	98.7	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-61.4	-47.1	177.1	0	0	0	0	0	112.2	M188 F189 C195 N197	M188-G192 PolarHBondContact O-N 3.47Å; M188-G192 VanDerWaalsContact O-N 3.13Å; F189-G192 PolarHBondContact O-N 2.93Å; G192-C195 WeakPolarHBondContact O-CB 3.25Å; G192-C195 PolarHBondContact O-N 3.41Å; G192-N197 VanDerWaalsContact O-CB 3.23Å; G192-N197 WeakPolarHBondContact O-CB 3.45Å; G192-N197 PolarHBondContact O-N 3.36Å; G192-N197 PolarHBondContact O-ND2 3.12Å
193	M	98.8	Very high	98.7	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.005	1%	0.007	C	C	.	.	H	α-helix	trans	-71.2	-41.3	-175.5	-72.7	179.2	63.3	0	0	113.2	W86 F98 F189 P190 C195 G196 N197 L218 T227 L228	W86-M193 WeakPolarHBondContact CZ2-O 3.06Å; W86-M193 PolarHBondContact NE1-O 3.46Å; F98-M193 HydrophobicContact CE2-CB 4.2Å; F98-M193 HydrophobicContact CZ-CB 3.72Å; F189-M193 HydrophobicContact CD2-SD 3.89Å; F189-M193 VanDerWaalsContact O-CB 3.27Å; F189-M193 WeakPolarHBondContact O-CB 3.33Å; F189-M193 VanDerWaalsContact O-CG 3.27Å; F189-M193 WeakPolarHBondContact O-CG 3.36Å; F189-M193 PolarHBondContact O-N 2.95Å; P190-M193 PolarHBondContact O-N 2.88Å; M193-C195 PolarHBondContact O-N 3.21Å; M193-G196 WeakPolarHBondContact O-CA 3.16Å; M193-G196 PolarHBondContact O-N 2.65Å; M193-N197 WeakPolarHBondContact CA-O 3.23Å; M193-L218 HydrophobicContact CE-CD2 3.65Å; M193-L218 HydrophobicContact SD-CD2 3.75Å; M193-T227 VanDerWaalsContact CE-OG1 3.31Å; M193-T227 WeakPolarHBondContact CE-OG1 3.44Å; M193-L228 HydrophobicContact CE-CB 4.27Å; M193-L228 HydrophobicContact SD-CB 3.89Å
194	V	98.5	Very high	98.7	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-64.2	-29.2	179.3	79.3	0	0	0	0	111.7	R94 F98 A141 I144 P190 M191 G196	R94-V194 PolarHBondContact NE-O 3.34Å; F98-V194 HydrophobicContact CD2-CB 3.73Å; F98-V194 HydrophobicContact CD2-CG2 3.56Å; F98-V194 HydrophobicContact CE2-CB 3.68Å; F98-V194 HydrophobicContact CE2-CG2 4.01Å; F98-V194 HydrophobicContact CG-CB 4.36Å; F98-V194 HydrophobicContact CG-CG2 4.18Å; F98-V194 HydrophobicContact CZ-CB 4.28Å; A141-V194 HydrophobicContact CB-CB 4.48Å; A141-V194 HydrophobicContact CB-CG1 3.97Å; I144-V194 HydrophobicContact CB-CG1 4.43Å; I144-V194 HydrophobicContact CB-CG2 3.7Å; I144-V194 HydrophobicContact CD1-CG1 3.75Å; I144-V194 HydrophobicContact CD1-CG2 4.41Å; I144-V194 HydrophobicContact CG1-CB 4.48Å; I144-V194 HydrophobicContact CG1-CG1 4.14Å; I144-V194 HydrophobicContact CG1-CG2 3.86Å; I144-V194 HydrophobicContact CG2-CG2 3.76Å; P190-V194 WeakPolarHBondContact O-CB 3.34Å; P190-V194 WeakPolarHBondContact O-CG1 3.07Å; P190-V194 PolarHBondContact O-N 3.41Å; M191-V194 WeakPolarHBondContact O-CG1 3.45Å; V194-G196 PolarHBondContact O-N 3.12Å
195	C	98.7	Very high	98.7	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.8	170.9	-73.6	0	0	0	0	114.1	M148 M191 G192 M193 I496 T500	M148-C195 HydrophobicContact SD-CB 4.33Å; M191-C195 PolarHBondContact O-N 2.78Å; M191-C195 PolarHBondContact O-SG 2.73Å; M191-C195 VanDerWaalsContact O-SG 3.36Å; G192-C195 WeakPolarHBondContact O-CB 3.25Å; G192-C195 PolarHBondContact O-N 3.41Å; M193-C195 PolarHBondContact O-N 3.21Å; C195-I496 VanDerWaalsContact SG-CD1 3.51Å; C195-T500 HydrophobicContact CB-CG2 3.78Å
196	G	98.7	Very high	98.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	11.1	-179.1	0	0	0	0	0	114.9	F83 W86 P168 M193 V194	F83-G196 WeakPolarHBondContact CE2-O 3.49Å; W86-G196 VanDerWaalsContact CD1-C 3.48Å; P168-G196 VanDerWaalsContact CB-C 3.49Å; M193-G196 WeakPolarHBondContact O-CA 3.16Å; M193-G196 PolarHBondContact O-N 2.65Å; V194-G196 PolarHBondContact O-N 3.12Å
197	N	98.9	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.033	C	C	.	.			trans	-86.4	161.9	174.6	-56.8	-76.4	0	0	0	111.4	W86 P168 I169 G170 G192 M193 Y499	W86-N197 PolarHBondContact NE1-O 2.91Å; P168-N197 WeakPolarHBondContact CB-OD1 3.48Å; I169-N197 WeakPolarHBondContact CG1-OD1 3.17Å; I169-N197 PolarHBondContact N-OD1 3.27Å; G170-N197 PolarHBondContact N-OD1 3.36Å; G170-N197 WeakPolarHBondContact O-CA 3.23Å; G170-N197 VanDerWaalsContact O-CB 3.23Å; G170-N197 WeakPolarHBondContact O-CB 3.47Å; G170-N197 PolarHBondContact O-OD1 2.72Å; G192-N197 VanDerWaalsContact O-CB 3.23Å; G192-N197 WeakPolarHBondContact O-CB 3.45Å; G192-N197 PolarHBondContact O-N 3.36Å; G192-N197 PolarHBondContact O-ND2 3.12Å; M193-N197 WeakPolarHBondContact CA-O 3.23Å; N197-Y499 PolarHBondContact ND2-O 2.81Å
198	T	98.9	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	159.5	161.8	56.1	0	0	0	0	110	C79 A82 F83 W86 G170 C172 T227	C79-T198 WeakPolarHBondContact CB-OG1 3.49Å; C79-T198 WeakPolarHBondContact O-CB 3.32Å; C79-T198 WeakPolarHBondContact O-CG2 3.36Å; C79-T198 PolarHBondContact O-OG1 3.43Å; A82-T198 HydrophobicContact CB-CG2 4.05Å; F83-T198 HydrophobicContact CB-CG2 3.92Å; W86-T198 HydrophobicContact CB-CG2 4.47Å; G170-T198 PolarHBondContact O-N 2.78Å; C172-T198 PolarHBondContact N-O 2.99Å; T198-T227 CarbonylContact C-O 3.59Å; T198-T227 WeakPolarHBondContact CA-O 3.27Å; T198-T227 HydrophobicContact CG2-CG2 4.33Å
199	Y	98.9	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.6	-165.4	-142.4	-85.3	0	0	0	113.4	C79 C172 A173 M188 F189 T227 L228 N229 Y499	C79-Y199 PolarHBondContact SG-O 3.04Å; C172-Y199 HydrophobicContact CB-CD2 3.72Å; C172-Y199 HydrophobicContact CB-CE2 3.64Å; C172-Y199 CarbonylContact O-C 3.58Å; C172-Y199 WeakPolarHBondContact O-CA 3.41Å; A173-Y199 PolarHBondContact O-OH 3.21Å; M188-Y199 HydrophobicContact CB-CE1 4.26Å; M188-Y199 WeakPolarHBondContact CB-OH 3.22Å; F189-Y199 HydrophobicContact CB-CD1 3.34Å; F189-Y199 HydrophobicContact CB-CD2 4.02Å; F189-Y199 HydrophobicContact CB-CE1 3.74Å; F189-Y199 HydrophobicContact CB-CE2 4.37Å; F189-Y199 HydrophobicContact CB-CG 3.49Å; F189-Y199 VanDerWaalsContact CB-CG 3.49Å; Y199-T227 PolarHBondContact N-O 2.67Å; Y199-L228 WeakPolarHBondContact O-CA 3.44Å; Y199-N229 PolarHBondContact O-N 3.25Å; Y199-Y499 AromaticContact CE2-CE1 3.78Å; Y199-Y499 HydrophobicContact CE2-CE1 3.78Å; Y199-Y499 AromaticContact CE2-CZ 3.96Å; Y199-Y499 PolarHBondContact OH-OH 3.42Å
200	L	98.9	Very high	98.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112	169.6	-177.7	66.9	0	0	0	110	A75 V76 C172 A173 G174 N229 I231 F240 I241 I247	A75-L200 HydrophobicContact CB-CD1 3.78Å; V76-L200 HydrophobicContact CG2-CD2 3.63Å; C172-L200 PolarHBondContact O-N 2.77Å; A173-L200 CarbonylContact C-O 3.46Å; A173-L200 WeakPolarHBondContact CA-O 3.35Å; A173-L200 HydrophobicContact CB-CB 4.36Å; G174-L200 PolarHBondContact N-O 2.78Å; L200-N229 WeakPolarHBondContact CA-O 3.31Å; L200-N229 HydrophobicContact CD1-CB 3.98Å; L200-I231 HydrophobicContact CD1-CD1 4.25Å; L200-I231 HydrophobicContact CD1-CG1 3.96Å; L200-I231 HydrophobicContact CD1-CG2 3.95Å; L200-I231 HydrophobicContact CD2-CD1 4.02Å; L200-I231 HydrophobicContact CG-CD1 4.31Å; L200-I231 HydrophobicContact CG-CG1 4.28Å; L200-F240 HydrophobicContact CD2-CE1 4.2Å; L200-I241 HydrophobicContact CD2-CG1 4.01Å; L200-I247 HydrophobicContact CD2-CD1 4.14Å
201	L	98.9	Very high	98.7	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.8	178.7	-175.4	69	0	0	0	110.9	P185 F189 A211 L228 N229 V230 I231	P185-L201 HydrophobicContact CB-CD1 4.4Å; P185-L201 HydrophobicContact CB-CD2 4.11Å; F189-L201 HydrophobicContact CD1-CD2 4.31Å; L201-A211 HydrophobicContact CD2-CB 4.19Å; L201-L228 HydrophobicContact CB-CD1 4.32Å; L201-N229 PolarHBondContact N-O 3.07Å; L201-V230 HydrophobicContact CB-CG2 4.31Å; L201-V230 HydrophobicContact CD2-CG2 4.44Å; L201-V230 WeakPolarHBondContact O-CA 3.32Å; L201-I231 PolarHBondContact O-N 2.94Å
202	K	98.9	Very high	98.7	Very high	7 Å²	7	10.2 Å²	10.2	3%	0.03	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	93.4	163.7	-168.8	-129.9	95.6	74.7	0	109.8	G174 I175 A176 E205 I231 G233 A237 V238 I241	G174-K202 PolarHBondContact O-N 2.88Å; I175-K202 WeakPolarHBondContact CA-O 3.22Å; I175-K202 HydrophobicContact CG1-CB 4.4Å; I175-K202 HydrophobicContact CG2-CD 4.39Å; A176-K202 PolarHBondContact N-O 3.26Å; A176-K202 VanDerWaalsContact N-O 3.11Å; K202-E205 IonicContact NZ-OE2 2.91Å; K202-E205 PolarHBondContact NZ-OE2 2.8Å; K202-I231 WeakPolarHBondContact CA-O 3.38Å; K202-I231 HydrophobicContact CB-CG1 4.42Å; K202-G233 PolarHBondContact NZ-O 2.94Å; K202-A237 HydrophobicContact CD-CB 4.22Å; K202-A237 HydrophobicContact CG-CB 4.28Å; K202-V238 HydrophobicContact CD-CG2 4.02Å; K202-I241 HydrophobicContact CB-CD1 3.84Å
203	P	98.8	Very high	98.7	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.026	6%	0.062	C	C	.	.			trans	-70.4	167	174.4	32.5	-34.9	0	0	0	110.4	E205 A211 V230	P203-E205 PolarHBondContact O-N 2.87Å; P203-A211 HydrophobicContact CB-CB 3.74Å; P203-A211 HydrophobicContact CG-CB 3.91Å; P203-V230 HydrophobicContact CG-CG1 3.95Å
204	S	98.7	Very high	98.7	Very high	10 Å²	10	12.7 Å²	12.7	7%	0.07	6%	0.062	C	C	.	.			trans	-62	132.3	171.6	-178.6	0	0	0	0	110.2	A176 R206 V207	A176-S204 PolarHBondContact O-N 2.98Å; A176-S204 VanDerWaalsContact O-N 3.1Å; S204-R206 PolarHBondContact O-N 2.9Å; S204-R206 VanDerWaalsContact O-N 3.12Å; S204-R206 PolarHBondContact OG-N 3.42Å; S204-V207 PolarHBondContact O-N 3.39Å
205	E	98.3	Very high	98.7	Very high	34 Å²	34	12.8 Å²	12.8	16%	0.159	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.7	174.5	63.7	-86.2	-162.7	0	0	113.4	L50 V64 K202 P203 Q234	L50-E205 HydrophobicContact CD1-CB 3.92Å; L50-E205 HydrophobicContact CD1-CG 3.88Å; V64-E205 HydrophobicContact CG1-CB 3.87Å; V64-E205 WeakPolarHBondContact CG1-O 3.35Å; K202-E205 IonicContact NZ-OE2 2.91Å; K202-E205 PolarHBondContact NZ-OE2 2.8Å; P203-E205 PolarHBondContact O-N 2.87Å; E205-Q234 HydrophobicContact CG-CG 4.15Å; E205-Q234 WeakPolarHBondContact OE1-CG 3.36Å; E205-Q234 PolarHBondContact OE1-NE2 3.09Å
206	R	98.3	Very high	98.7	Very high	97 Å²	97	16.2 Å²	16.2	37%	0.366	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.9	178.5	-61.6	-177.4	178.9	173	-4.3	113.5	F178 S204 I352	F178-R206 HydrophobicContact CB-CB 4.26Å; S204-R206 PolarHBondContact O-N 2.9Å; S204-R206 VanDerWaalsContact O-N 3.12Å; S204-R206 PolarHBondContact OG-N 3.42Å; R206-I352 HydrophobicContact CB-CD1 4.25Å; R206-I352 HydrophobicContact CB-CG1 4.25Å
207	V	98.6	Very high	98.7	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.081	C	C	.	.	S	Bend	trans	-142.5	47.8	-171.7	-66.1	0	0	0	0	112.1	E119 Q120 F178 P181 S204 T209 I352	E119-V207 HydrophobicContact CB-CB 4.17Å; E119-V207 HydrophobicContact CB-CG1 3.82Å; E119-V207 WeakPolarHBondContact OE2-CA 3.32Å; Q120-V207 HydrophobicContact CB-CG1 3.71Å; Q120-V207 HydrophobicContact CG-CG1 4.14Å; F178-V207 VanDerWaalsContact CA-CG2 3.46Å; F178-V207 HydrophobicContact CB-CG1 4.49Å; F178-V207 HydrophobicContact CB-CG2 3.89Å; F178-V207 WeakPolarHBondContact O-CG2 3.27Å; P181-V207 HydrophobicContact CB-CB 4.01Å; P181-V207 HydrophobicContact CB-CG2 3.7Å; P181-V207 HydrophobicContact CG-CB 4.23Å; P181-V207 HydrophobicContact CG-CG2 4.21Å; S204-V207 PolarHBondContact O-N 3.39Å; V207-T209 PolarHBondContact O-N 2.9Å; V207-I352 HydrophobicContact CG1-CD1 3.99Å
208	P	98.6	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-75.1	-23.3	-168.4	33.4	-37.7	0	0	0	113.5	V33 I52 V64 C210 A211 M212 H232	V33-P208 HydrophobicContact CB-CG 4.35Å; V33-P208 HydrophobicContact CG1-CB 4.08Å; V33-P208 HydrophobicContact CG1-CG 4.04Å; V33-P208 HydrophobicContact CG2-CG 3.94Å; I52-P208 HydrophobicContact CD1-CG 3.59Å; I52-P208 HydrophobicContact CG1-CG 4.4Å; V64-P208 HydrophobicContact CB-CG 4.31Å; V64-P208 HydrophobicContact CG2-CB 4.3Å; V64-P208 HydrophobicContact CG2-CG 4.18Å; P208-C210 VanDerWaalsContact C-N 3.34Å; P208-C210 PolarHBondContact O-N 3.23Å; P208-A211 PolarHBondContact O-N 3.27Å; P208-M212 WeakPolarHBondContact O-CG 3.4Å; P208-M212 PolarHBondContact O-N 2.9Å; P208-H232 VanDerWaalsContact CB-CE1 3.48Å; P208-H232 WeakPolarHBondContact CB-CE1 3.47Å
209	T	98.6	Very high	98.7	Very high	43 Å²	43	19.8 Å²	19.8	26%	0.264	9%	0.094	S	C	.	.	H	α-helix	trans	-62.9	-40.2	-166	-66.8	0	0	0	0	112.3	E119 V207 A211 M212 L213	E119-T209 VanDerWaalsContact OE1-CB 3.23Å; E119-T209 WeakPolarHBondContact OE1-CB 3.29Å; E119-T209 PolarHBondContact OE1-OG1 2.58Å; E119-T209 WeakPolarHBondContact OE2-CB 3.4Å; E119-T209 PolarHBondContact OE2-N 2.58Å; V207-T209 PolarHBondContact O-N 2.9Å; T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.37Å; T209-M212 WeakPolarHBondContact O-CB 3.46Å; T209-M212 PolarHBondContact O-N 3.17Å; T209-M212 VanDerWaalsContact O-N 3.12Å; T209-L213 HydrophobicContact CG2-CD1 4.34Å; T209-L213 HydrophobicContact CG2-CG 4.47Å; T209-L213 WeakPolarHBondContact O-CG 3.43Å; T209-L213 PolarHBondContact O-N 3.07Å
210	C	98.7	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-42.2	179.8	-171.1	0	0	0	0	112.2	I116 P181 P208 M212 L213 L214	I116-C210 HydrophobicContact CG1-CB 3.93Å; P181-C210 HydrophobicContact CB-CB 4.09Å; P181-C210 HydrophobicContact CG-CB 4.39Å; P208-C210 VanDerWaalsContact C-N 3.34Å; P208-C210 PolarHBondContact O-N 3.23Å; C210-M212 VanDerWaalsContact C-N 3.27Å; C210-M212 PolarHBondContact O-N 2.92Å; C210-L213 PolarHBondContact O-N 3.36Å; C210-L214 WeakPolarHBondContact O-CG 3.37Å; C210-L214 PolarHBondContact O-N 2.85Å
211	A	98.6	Very high	98.7	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-34.1	177	0	0	0	0	0	112.1	L201 P203 P208 T209 L214 A215	L201-A211 HydrophobicContact CD2-CB 4.19Å; P203-A211 HydrophobicContact CB-CB 3.74Å; P203-A211 HydrophobicContact CG-CB 3.91Å; P208-A211 PolarHBondContact O-N 3.27Å; T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.37Å; A211-L214 PolarHBondContact O-N 2.99Å; A211-A215 PolarHBondContact O-N 3.27Å
212	M	98.8	Very high	98.6	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.064	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-39.8	176.5	-61.1	-48.6	-66.1	0	0	112.3	V33 K34 F36 F41 P208 T209 C210 A215 K216 V230	V33-M212 HydrophobicContact CG1-CG 3.95Å; K34-M212 WeakPolarHBondContact O-CE 3.33Å; F36-M212 HydrophobicContact CB-CE 3.68Å; F41-M212 HydrophobicContact CD1-CE 3.72Å; F41-M212 HydrophobicContact CE1-CB 4.19Å; F41-M212 HydrophobicContact CE1-CE 3.48Å; F41-M212 VanDerWaalsContact CE1-CE 3.48Å; P208-M212 WeakPolarHBondContact O-CG 3.4Å; P208-M212 PolarHBondContact O-N 2.9Å; T209-M212 WeakPolarHBondContact O-CB 3.46Å; T209-M212 PolarHBondContact O-N 3.17Å; T209-M212 VanDerWaalsContact O-N 3.12Å; C210-M212 VanDerWaalsContact C-N 3.27Å; C210-M212 PolarHBondContact O-N 2.92Å; M212-A215 PolarHBondContact O-N 3.1Å; M212-K216 PolarHBondContact O-N 2.91Å; M212-V230 HydrophobicContact SD-CB 4.07Å; M212-V230 HydrophobicContact SD-CG1 3.76Å; M212-V230 HydrophobicContact SD-CG2 4.47Å
213	L	98.9	Very high	98.6	Very high	53 Å²	53	26.9 Å²	26.9	28%	0.277	15%	0.147	S	C	.	.	H	α-helix	trans	-62.9	-43	172.3	-66.6	174.3	0	0	0	111.3	L112 T209 C210 A215 K216 M217	L112-L213 HydrophobicContact CD2-CB 3.65Å; L112-L213 HydrophobicContact CD2-CD1 4.11Å; T209-L213 HydrophobicContact CG2-CD1 4.34Å; T209-L213 HydrophobicContact CG2-CG 4.47Å; T209-L213 WeakPolarHBondContact O-CG 3.43Å; T209-L213 PolarHBondContact O-N 3.07Å; C210-L213 PolarHBondContact O-N 3.36Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.98Å; L213-K216 PolarHBondContact O-N 3.2Å; L213-M217 WeakPolarHBondContact O-CG 3.17Å; L213-M217 PolarHBondContact O-N 3.24Å
214	L	98.9	Very high	98.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-38.3	175.6	-70.8	175.3	0	0	0	112.4	Y101 I105 L112 A182 L186 C210 A211 M217 L218	Y101-L214 WeakPolarHBondContact CE2-O 3.34Å; Y101-L214 WeakPolarHBondContact OH-CB 3.4Å; Y101-L214 PolarHBondContact OH-O 2.96Å; Y101-L214 VanDerWaalsContact OH-O 3.11Å; I105-L214 HydrophobicContact CD1-CD2 4.2Å; I105-L214 HydrophobicContact CG1-CD2 4.04Å; L112-L214 HydrophobicContact CD1-CD2 3.98Å; L112-L214 HydrophobicContact CD2-CD2 4.01Å; L112-L214 HydrophobicContact CD2-CG 4.13Å; A182-L214 HydrophobicContact CB-CD1 4.32Å; L186-L214 HydrophobicContact CD1-CD1 4.14Å; L186-L214 HydrophobicContact CD1-CD2 4.16Å; L186-L214 HydrophobicContact CD2-CD1 4.17Å; L186-L214 HydrophobicContact CD2-CD2 4.27Å; L186-L214 HydrophobicContact CG-CD1 3.95Å; C210-L214 WeakPolarHBondContact O-CG 3.37Å; C210-L214 PolarHBondContact O-N 2.85Å; A211-L214 PolarHBondContact O-N 2.99Å; L214-M217 PolarHBondContact O-N 3.47Å; L214-L218 PolarHBondContact O-N 2.88Å
215	A	98.8	Very high	98.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-42.7	174.8	0	0	0	0	0	112	F36 A211 M212 L213 M217 L218 Q219 L228 V230	F36-A215 HydrophobicContact CD1-CB 4.04Å; F36-A215 HydrophobicContact CD2-CB 4.36Å; F36-A215 HydrophobicContact CE1-CB 4.31Å; F36-A215 HydrophobicContact CG-CB 4.07Å; A211-A215 PolarHBondContact O-N 3.27Å; M212-A215 PolarHBondContact O-N 3.1Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.98Å; A215-M217 PolarHBondContact O-N 3.43Å; A215-L218 PolarHBondContact O-N 2.9Å; A215-Q219 PolarHBondContact O-N 3.34Å; A215-L228 HydrophobicContact CB-CD2 3.82Å; A215-V230 HydrophobicContact CB-CG2 4.14Å
216	K	98.7	Very high	98.6	Very high	73 Å²	73	31.5 Å²	31.5	32%	0.317	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-47.2	173.7	-178.6	61.8	171.7	70.3	0	111.7	F41 M212 L213 L218 Q219 D220	F41-K216 HydrophobicContact CE2-CB 4.14Å; F41-K216 HydrophobicContact CE2-CD 3.82Å; F41-K216 HydrophobicContact CE2-CG 4.49Å; F41-K216 HydrophobicContact CZ-CB 3.86Å; F41-K216 HydrophobicContact CZ-CD 4.39Å; M212-K216 PolarHBondContact O-N 2.91Å; L213-K216 PolarHBondContact O-N 3.2Å; K216-L218 VanDerWaalsContact C-N 3.27Å; K216-L218 PolarHBondContact O-N 3.04Å; K216-Q219 WeakPolarHBondContact O-CB 3.39Å; K216-Q219 PolarHBondContact O-N 3.28Å; K216-D220 IonicContact NZ-OD1 2.65Å; K216-D220 PolarHBondContact NZ-OD1 2.8Å; K216-D220 IonicContact NZ-OD2 3.12Å; K216-D220 PolarHBondContact NZ-OD2 2.85Å; K216-D220 PolarHBondContact O-N 3.44Å
217	M	98.9	Very high	98.6	Very high	17 Å²	17	27 Å²	27	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-35.3	179.4	-70.9	173.4	-168.8	0	0	112	Y101 L104 I105 N108 L112 L213 L214 A215 D220 A221	Y101-M217 HydrophobicContact CD2-CB 4.18Å; Y101-M217 HydrophobicContact CE2-CB 3.71Å; L104-M217 HydrophobicContact CB-CB 4.34Å; L104-M217 VanDerWaalsContact CD1-O 3.23Å; L104-M217 WeakPolarHBondContact CD1-O 3.22Å; I105-M217 HydrophobicContact CG1-SD 4.37Å; N108-M217 HydrophobicContact CB-CE 3.33Å; N108-M217 HydrophobicContact CB-SD 4.3Å; L112-M217 HydrophobicContact CD1-CE 4.09Å; L112-M217 HydrophobicContact CD1-SD 4.13Å; L112-M217 HydrophobicContact CD2-CE 3.98Å; L112-M217 HydrophobicContact CD2-SD 4.44Å; L112-M217 HydrophobicContact CG-CE 3.96Å; L213-M217 WeakPolarHBondContact O-CG 3.17Å; L213-M217 PolarHBondContact O-N 3.24Å; L214-M217 PolarHBondContact O-N 3.47Å; A215-M217 PolarHBondContact O-N 3.43Å; M217-D220 PolarHBondContact O-N 3.48Å; M217-A221 WeakPolarHBondContact O-CB 3.39Å; M217-A221 PolarHBondContact O-N 3.28Å
218	L	98.8	Very high	98.6	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-39.9	175.9	-175.9	66.9	0	0	0	111.5	I97 F98 Y101 F189 M193 L214 A215 K216 A221 A223 L228	I97-L218 HydrophobicContact CG2-CD1 4.48Å; F98-L218 HydrophobicContact CE1-CD1 4.16Å; F98-L218 HydrophobicContact CZ-CD1 4.34Å; Y101-L218 HydrophobicContact CD1-CD1 3.97Å; Y101-L218 HydrophobicContact CD2-CB 4.04Å; Y101-L218 HydrophobicContact CD2-CD1 4.03Å; Y101-L218 HydrophobicContact CE1-CD1 4.26Å; Y101-L218 HydrophobicContact CE2-CB 3.74Å; Y101-L218 HydrophobicContact CE2-CD1 4.31Å; Y101-L218 VanDerWaalsContact CE2-N 3.32Å; Y101-L218 HydrophobicContact CG-CD1 3.87Å; F189-L218 HydrophobicContact CD2-CD2 4.09Å; F189-L218 HydrophobicContact CE2-CD2 3.8Å; M193-L218 HydrophobicContact CE-CD2 3.65Å; M193-L218 HydrophobicContact SD-CD2 3.75Å; L214-L218 PolarHBondContact O-N 2.88Å; A215-L218 PolarHBondContact O-N 2.9Å; K216-L218 VanDerWaalsContact C-N 3.27Å; K216-L218 PolarHBondContact O-N 3.04Å; L218-A221 WeakPolarHBondContact O-CB 3.28Å; L218-A221 PolarHBondContact O-N 3.04Å; L218-A223 HydrophobicContact CD1-CB 4.1Å; L218-A223 HydrophobicContact CD2-CB 4.33Å; L218-A223 HydrophobicContact CG-CB 3.69Å; L218-A223 VanDerWaalsContact O-CB 3.27Å; L218-A223 WeakPolarHBondContact O-CB 3.15Å; L218-A223 PolarHBondContact O-N 3.4Å; L218-L228 HydrophobicContact CD2-CB 3.89Å; L218-L228 HydrophobicContact CD2-CD2 3.6Å; L218-L228 HydrophobicContact CD2-CG 4.35Å
219	Q	98.1	Very high	98.6	Very high	54 Å²	54	27.2 Å²	27.2	25%	0.252	16%	0.159	S	C	.	.	H	α-helix	trans	-61.3	-44.9	171.4	174.4	171.8	58.2	0	0	111.7	F36 G39 A215 K216 A221 G222	F36-Q219 HydrophobicContact CZ-CB 4.22Å; G39-Q219 PolarHBondContact O-NE2 3.27Å; A215-Q219 PolarHBondContact O-N 3.34Å; K216-Q219 WeakPolarHBondContact O-CB 3.39Å; K216-Q219 PolarHBondContact O-N 3.28Å; Q219-A221 PolarHBondContact O-N 3.11Å; Q219-G222 WeakPolarHBondContact O-CA 3.39Å; Q219-G222 PolarHBondContact O-N 3.01Å
220	D	98.6	Very high	98.7	Very high	89 Å²	89	25.1 Å²	25.1	48%	0.476	15%	0.146	S	C	.	.	H	α-helix	trans	-64.6	-25.6	177.7	-69.1	-21.3	0	0	0	112.7	L104 K216 M217 G222	L104-D220 HydrophobicContact CD1-CB 3.91Å; K216-D220 IonicContact NZ-OD1 2.65Å; K216-D220 PolarHBondContact NZ-OD1 2.8Å; K216-D220 IonicContact NZ-OD2 3.12Å; K216-D220 PolarHBondContact NZ-OD2 2.85Å; K216-D220 PolarHBondContact O-N 3.44Å; M217-D220 PolarHBondContact O-N 3.48Å; D220-G222 PolarHBondContact O-N 2.87Å
221	A	98.7	Very high	98.7	Very high	11 Å²	11	25.1 Å²	25.1	9%	0.091	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.3	171.4	0	0	0	0	0	113.6	I97 C100 Y101 L104 M217 L218 Q219	I97-A221 HydrophobicContact CG2-CB 4.23Å; C100-A221 HydrophobicContact CB-CB 4.06Å; Y101-A221 HydrophobicContact CD2-CB 4.38Å; L104-A221 HydrophobicContact CD1-CB 4Å; M217-A221 WeakPolarHBondContact O-CB 3.39Å; M217-A221 PolarHBondContact O-N 3.28Å; L218-A221 WeakPolarHBondContact O-CB 3.28Å; L218-A221 PolarHBondContact O-N 3.04Å; Q219-A221 PolarHBondContact O-N 3.11Å
222	G	98.3	Very high	98.7	Very high	47 Å²	47	25 Å²	25	49%	0.485	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	19.9	178.8	0	0	0	0	0	114.5	Q219 D220	Q219-G222 WeakPolarHBondContact O-CA 3.39Å; Q219-G222 PolarHBondContact O-N 3.01Å; D220-G222 PolarHBondContact O-N 2.87Å
223	A	98.2	Very high	98.6	Very high	11 Å²	11	24.5 Å²	24.5	9%	0.091	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-63.6	131	171.8	0	0	0	0	0	110.6	I97 L218	I97-A223 HydrophobicContact CG2-CB 4.17Å; L218-A223 HydrophobicContact CD1-CB 4.1Å; L218-A223 HydrophobicContact CD2-CB 4.33Å; L218-A223 HydrophobicContact CG-CB 3.69Å; L218-A223 VanDerWaalsContact O-CB 3.27Å; L218-A223 WeakPolarHBondContact O-CB 3.15Å; L218-A223 PolarHBondContact O-N 3.4Å
224	P	98.5	Very high	98.5	Very high	57 Å²	57	25.2 Å²	25.2	37%	0.37	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-62.4	148.3	179.7	-22.7	32.6	0	0	0	112.9	W86 G226 T227	W86-P224 HydrophobicContact CE3-CG 3.98Å; W86-P224 HydrophobicContact CZ3-CG 4.07Å; P224-G226 PolarHBondContact O-N 3.21Å; P224-T227 HydrophobicContact CB-CG2 3.94Å; P224-T227 HydrophobicContact CG-CG2 4.27Å; P224-T227 WeakPolarHBondContact O-CB 3.3Å; P224-T227 WeakPolarHBondContact O-CG2 3.31Å; P224-T227 PolarHBondContact O-N 3.3Å; P224-T227 PolarHBondContact O-OG1 3.5Å
225	D	98.8	Very high	98.5	Very high	87 Å²	87	32.3 Å²	32.3	47%	0.465	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	138.8	176.7	-67	-14.2	0	0	0	111.4	G39 A82 T227	G39-D225 WeakPolarHBondContact CA-OD1 3.42Å; A82-D225 WeakPolarHBondContact CB-O 3.41Å; D225-T227 PolarHBondContact O-N 3.42Å
226	G	98.4	Very high	98.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-5.1	179.7	0	0	0	0	0	115.9	S78 C79 P224 N229	S78-G226 WeakPolarHBondContact OG-CA 3.05Å; C79-G226 WeakPolarHBondContact CA-O 3.42Å; P224-G226 PolarHBondContact O-N 3.21Å; G226-N229 PolarHBondContact O-ND2 3.39Å
227	T	98.7	Very high	98.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	19%	0.189	C	C	.	.	S	Bend	trans	-71.6	-30.9	175.5	59.9	0	0	0	0	113.1	A82 W86 M193 T198 Y199 P224 D225	A82-T227 HydrophobicContact CB-CG2 4.21Å; W86-T227 HydrophobicContact CB-CG2 3.96Å; W86-T227 HydrophobicContact CD2-CG2 3.92Å; W86-T227 HydrophobicContact CE3-CG2 4.26Å; W86-T227 HydrophobicContact CG-CG2 3.79Å; M193-T227 VanDerWaalsContact CE-OG1 3.31Å; M193-T227 WeakPolarHBondContact CE-OG1 3.44Å; T198-T227 CarbonylContact C-O 3.59Å; T198-T227 WeakPolarHBondContact CA-O 3.27Å; T198-T227 HydrophobicContact CG2-CG2 4.33Å; Y199-T227 PolarHBondContact N-O 2.67Å; P224-T227 HydrophobicContact CB-CG2 3.94Å; P224-T227 HydrophobicContact CG-CG2 4.27Å; P224-T227 WeakPolarHBondContact O-CB 3.3Å; P224-T227 WeakPolarHBondContact O-CG2 3.31Å; P224-T227 PolarHBondContact O-N 3.3Å; P224-T227 PolarHBondContact O-OG1 3.5Å; D225-T227 PolarHBondContact O-N 3.42Å
228	L	98.9	Very high	98.4	Very high	5 Å²	5	32 Å²	32	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.4	165	177	65.2	0	0	0	109.3	F36 F189 M193 Y199 L201 A215 L218 V230	F36-L228 WeakPolarHBondContact CD1-O 3.39Å; F36-L228 WeakPolarHBondContact CE1-O 3.33Å; F189-L228 HydrophobicContact CB-CD1 4.09Å; F189-L228 HydrophobicContact CD2-CD1 4.28Å; F189-L228 HydrophobicContact CD2-CD2 4.27Å; F189-L228 HydrophobicContact CE2-CD2 4.32Å; F189-L228 HydrophobicContact CG-CD1 4.09Å; M193-L228 HydrophobicContact CE-CB 4.27Å; M193-L228 HydrophobicContact SD-CB 3.89Å; Y199-L228 WeakPolarHBondContact O-CA 3.44Å; L201-L228 HydrophobicContact CB-CD1 4.32Å; A215-L228 HydrophobicContact CB-CD2 3.82Å; L218-L228 HydrophobicContact CD2-CB 3.89Å; L218-L228 HydrophobicContact CD2-CD2 3.6Å; L218-L228 HydrophobicContact CD2-CG 4.35Å; L228-V230 HydrophobicContact CG-CG2 4.42Å
229	N	98.9	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.3	166.8	-67.3	-90	0	0	0	109.5	F36 I37 D38 A75 S78 C79 Y199 L200 L201 G226	F36-N229 CarbonylContact O-C 3.55Å; F36-N229 VanDerWaalsContact O-CA 3.23Å; F36-N229 WeakPolarHBondContact O-CA 2.87Å; I37-N229 WeakPolarHBondContact CA-OD1 3.45Å; D38-N229 PolarHBondContact N-OD1 2.82Å; A75-N229 HydrophobicContact CB-CB 4.03Å; A75-N229 PolarHBondContact O-ND2 3.31Å; S78-N229 PolarHBondContact OG-ND2 2.76Å; S78-N229 PolarHBondContact OG-OD1 2.85Å; C79-N229 PolarHBondContact SG-ND2 2.82Å; Y199-N229 PolarHBondContact O-N 3.25Å; L200-N229 WeakPolarHBondContact CA-O 3.31Å; L200-N229 HydrophobicContact CD1-CB 3.98Å; L201-N229 PolarHBondContact N-O 3.07Å; G226-N229 PolarHBondContact O-ND2 3.39Å
230	V	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122	178.4	-170.5	0	0	0	0	109.4	F36 L201 P203 M212 A215 L228	F36-V230 HydrophobicContact CB-CB 3.85Å; F36-V230 HydrophobicContact CB-CG2 3.93Å; F36-V230 PolarHBondContact N-O 3.36Å; F36-V230 PolarHBondContact O-N 2.96Å; L201-V230 HydrophobicContact CB-CG2 4.31Å; L201-V230 HydrophobicContact CD2-CG2 4.44Å; L201-V230 WeakPolarHBondContact O-CA 3.32Å; P203-V230 HydrophobicContact CG-CG1 3.95Å; M212-V230 HydrophobicContact SD-CB 4.07Å; M212-V230 HydrophobicContact SD-CG1 3.76Å; M212-V230 HydrophobicContact SD-CG2 4.47Å; A215-V230 HydrophobicContact CB-CG2 4.14Å; L228-V230 HydrophobicContact CG-CG2 4.42Å
231	I	98.8	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.169	C	C	.	.			trans	-114.8	151.3	172.8	60.1	167.8	0	0	0	110.5	A67 M72 A75 L200 L201 K202 A237 F240 I241	A67-I231 HydrophobicContact CB-CB 4.43Å; M72-I231 HydrophobicContact CG-CD1 3.86Å; M72-I231 HydrophobicContact SD-CD1 4.17Å; A75-I231 HydrophobicContact CB-CG2 3.64Å; L200-I231 HydrophobicContact CD1-CD1 4.25Å; L200-I231 HydrophobicContact CD1-CG1 3.96Å; L200-I231 HydrophobicContact CD1-CG2 3.95Å; L200-I231 HydrophobicContact CD2-CD1 4.02Å; L200-I231 HydrophobicContact CG-CD1 4.31Å; L200-I231 HydrophobicContact CG-CG1 4.28Å; L201-I231 PolarHBondContact O-N 2.94Å; K202-I231 WeakPolarHBondContact CA-O 3.38Å; K202-I231 HydrophobicContact CB-CG1 4.42Å; I231-A237 HydrophobicContact CD1-CB 4.32Å; I231-F240 HydrophobicContact CD1-CD1 4.45Å; I231-I241 HydrophobicContact CD1-CD1 4.45Å
232	H	98.8	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.			trans	-115.5	163.9	176.6	-61.9	-63.6	0	0	0	112	K34 L35 V64 P65 A67 P208	K34-H232 PolarHBondContact O-NE2 3.38Å; L35-H232 HydrophobicContact CD2-CB 4.4Å; V64-H232 HydrophobicContact CG2-CB 3.43Å; V64-H232 VanDerWaalsContact CG2-CB 3.43Å; P65-H232 HydrophobicContact CG-CB 4.42Å; P65-H232 CarbonylContact O-C 3.6Å; P65-H232 VanDerWaalsContact O-CB 3.24Å; P65-H232 WeakPolarHBondContact O-CB 3.43Å; A67-H232 WeakPolarHBondContact CB-O 3.3Å; A67-H232 PolarHBondContact N-O 2.87Å; P208-H232 VanDerWaalsContact CB-CE1 3.48Å; P208-H232 WeakPolarHBondContact CB-CE1 3.47Å
233	G	97.6	Very high	98.5	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	16%	0.156	C	C	.	.			trans	133.7	-174.6	178.9	0	0	0	0	0	112.6	K202	K202-G233 PolarHBondContact NZ-O 2.94Å
234	Q	97.1	Very high	98.6	Very high	69 Å²	69	28.9 Å²	28.9	32%	0.322	16%	0.159	S	C	.	.	S	Bend	trans	-113.7	-124	-174.9	-66.3	179.6	-45.4	0	0	110.4	L50 E205 A236 A237 V238	L50-Q234 HydrophobicContact CD1-CG 3.73Å; E205-Q234 HydrophobicContact CG-CG 4.15Å; E205-Q234 WeakPolarHBondContact OE1-CG 3.36Å; E205-Q234 PolarHBondContact OE1-NE2 3.09Å; Q234-A236 VanDerWaalsContact C-N 3.35Å; Q234-A236 PolarHBondContact O-N 2.99Å; Q234-A237 PolarHBondContact O-N 2.74Å; Q234-V238 PolarHBondContact O-N 3.35Å; Q234-V238 VanDerWaalsContact O-N 3.13Å
235	H	97.5	Very high	98.6	Very high	149 Å²	149	30.8 Å²	30.8	69%	0.69	17%	0.172	S	C	*	.	H	α-helix	trans	-57.4	-40.5	-174.2	-60.7	-58.6	0	0	0	114.1	A237 V238 N239	H235-A237 PolarHBondContact O-N 3.24Å; H235-V238 PolarHBondContact O-N 2.81Å; H235-N239 WeakPolarHBondContact O-CB 3.32Å; H235-N239 PolarHBondContact O-N 3.31Å; H235-N239 PolarHBondContact O-ND2 3.43Å; H235-N239 PolarHBondContact O-OD1 2.82Å
236	A	98.3	Very high	98.5	Very high	66 Å²	66	27.8 Å²	27.8	55%	0.545	16%	0.159	S	C	.	.	H	α-helix	trans	-61.4	-44.7	179.2	0	0	0	0	0	112.2	Q234 N239 F240	Q234-A236 VanDerWaalsContact C-N 3.35Å; Q234-A236 PolarHBondContact O-N 2.99Å; A236-N239 PolarHBondContact O-N 3.26Å; A236-F240 WeakPolarHBondContact O-CB 3.48Å; A236-F240 PolarHBondContact O-N 2.77Å
237	A	98.6	Very high	98.6	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-39.4	177.1	0	0	0	0	0	112.5	M72 K202 I231 Q234 H235 I241	M72-A237 VanDerWaalsContact SD-CA 3.57Å; M72-A237 HydrophobicContact SD-CB 3.99Å; K202-A237 HydrophobicContact CD-CB 4.22Å; K202-A237 HydrophobicContact CG-CB 4.28Å; I231-A237 HydrophobicContact CD1-CB 4.32Å; Q234-A237 PolarHBondContact O-N 2.74Å; H235-A237 PolarHBondContact O-N 3.24Å; A237-I241 WeakPolarHBondContact O-CG1 3.4Å; A237-I241 PolarHBondContact O-N 2.96Å; A237-I241 VanDerWaalsContact O-N 3.09Å
238	V	98.8	Very high	98.6	Very high	18 Å²	18	32.5 Å²	32.5	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-45.8	174.6	172.4	0	0	0	0	111.3	I175 K202 Q234 H235 I241 C242 Y261 I262	I175-V238 HydrophobicContact CD1-CG1 4.17Å; I175-V238 HydrophobicContact CD1-CG2 4.29Å; I175-V238 HydrophobicContact CG2-CG2 4.43Å; K202-V238 HydrophobicContact CD-CG2 4.02Å; Q234-V238 PolarHBondContact O-N 3.35Å; Q234-V238 VanDerWaalsContact O-N 3.13Å; H235-V238 PolarHBondContact O-N 2.81Å; V238-I241 PolarHBondContact O-N 2.61Å; V238-C242 PolarHBondContact O-N 2.77Å; V238-C242 PolarHBondContact O-SG 3.04Å; V238-Y261 HydrophobicContact CG1-CE1 4.48Å; V238-I262 HydrophobicContact CG1-CD1 3.69Å; V238-I262 HydrophobicContact CG1-CG1 3.56Å
239	N	98.8	Very high	98.6	Very high	43 Å²	43	32.2 Å²	32.2	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-45.2	178	-70.5	-12.1	0	0	0	111.3	H235 A236 I241 C242 D243 Y261	H235-N239 WeakPolarHBondContact O-CB 3.32Å; H235-N239 PolarHBondContact O-N 3.31Å; H235-N239 PolarHBondContact O-ND2 3.43Å; H235-N239 PolarHBondContact O-OD1 2.82Å; A236-N239 PolarHBondContact O-N 3.26Å; N239-I241 VanDerWaalsContact C-N 3.31Å; N239-I241 PolarHBondContact O-N 2.85Å; N239-C242 PolarHBondContact O-N 3.11Å; N239-D243 WeakPolarHBondContact O-CB 3.37Å; N239-D243 PolarHBondContact O-N 3.1Å; N239-Y261 VanDerWaalsContact OD1-CE1 3.28Å; N239-Y261 WeakPolarHBondContact OD1-CE1 3.4Å; N239-Y261 PolarHBondContact OD1-OH 3.46Å
240	F	98.9	Very high	98.6	Very high	14 Å²	14	32.2 Å²	32.2	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-53.6	-48.4	174.7	174.9	-92.5	0	0	0	111.5	M72 L73 V76 L200 I231 A236 C242 D243 H244	M72-F240 VanDerWaalsContact C-CZ 3.41Å; M72-F240 HydrophobicContact CB-CD1 3.8Å; M72-F240 HydrophobicContact CB-CD2 3.94Å; M72-F240 HydrophobicContact CB-CE1 3.72Å; M72-F240 HydrophobicContact CB-CE2 3.85Å; M72-F240 HydrophobicContact CB-CG 3.92Å; M72-F240 HydrophobicContact CB-CZ 3.75Å; M72-F240 HydrophobicContact CE-CB 4.09Å; M72-F240 HydrophobicContact CE-CD2 4.35Å; M72-F240 HydrophobicContact CE-CG 4.26Å; M72-F240 HydrophobicContact CG-CD1 4.35Å; M72-F240 HydrophobicContact CG-CG 4.44Å; M72-F240 WeakPolarHBondContact O-CE1 3.33Å; M72-F240 VanDerWaalsContact O-CZ 3.23Å; M72-F240 WeakPolarHBondContact O-CZ 3.02Å; M72-F240 HydrophobicContact SD-CB 3.7Å; M72-F240 HydrophobicContact SD-CD1 4.09Å; M72-F240 HydrophobicContact SD-CD2 4.4Å; M72-F240 HydrophobicContact SD-CG 3.81Å; L73-F240 HydrophobicContact CD2-CE2 3.95Å; L73-F240 HydrophobicContact CD2-CZ 4.39Å; L73-F240 HydrophobicContact CG-CE2 4.17Å; V76-F240 HydrophobicContact CB-CE1 4.43Å; V76-F240 HydrophobicContact CB-CZ 4.21Å; V76-F240 HydrophobicContact CG2-CE1 3.53Å; V76-F240 HydrophobicContact CG2-CZ 3.76Å; L200-F240 HydrophobicContact CD2-CE1 4.2Å; I231-F240 HydrophobicContact CD1-CD1 4.45Å; A236-F240 WeakPolarHBondContact O-CB 3.48Å; A236-F240 PolarHBondContact O-N 2.77Å; F240-C242 VanDerWaalsContact C-N 3.33Å; F240-C242 PolarHBondContact O-N 2.8Å; F240-D243 PolarHBondContact O-N 2.94Å; F240-H244 HydrophobicContact CE1-CB 4.47Å; F240-H244 HydrophobicContact CE2-CB 4.42Å; F240-H244 AromaticContact CE2-CD2 3.49Å; F240-H244 VanDerWaalsContact CE2-CD2 3.49Å; F240-H244 WeakPolarHBondContact CE2-CD2 3.29Å; F240-H244 HydrophobicContact CZ-CB 4.27Å; F240-H244 AromaticContact CZ-CD2 3.54Å; F240-H244 VanDerWaalsContact O-CB 3.28Å; F240-H244 WeakPolarHBondContact O-CB 3.21Å; F240-H244 PolarHBondContact O-N 3.27Å
241	I	98.9	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-43.1	176.4	-72.1	168.6	0	0	0	111.7	A173 I175 L200 K202 I231 A237 V238 N239 D243 I247 I250	A173-I241 HydrophobicContact CB-CG1 4.41Å; A173-I241 HydrophobicContact CB-CG2 3.51Å; I175-I241 HydrophobicContact CD1-CB 4.43Å; I175-I241 HydrophobicContact CD1-CD1 4.14Å; I175-I241 HydrophobicContact CD1-CG2 4.08Å; I175-I241 HydrophobicContact CG1-CD1 3.83Å; L200-I241 HydrophobicContact CD2-CG1 4.01Å; K202-I241 HydrophobicContact CB-CD1 3.84Å; I231-I241 HydrophobicContact CD1-CD1 4.45Å; A237-I241 WeakPolarHBondContact O-CG1 3.4Å; A237-I241 PolarHBondContact O-N 2.96Å; A237-I241 VanDerWaalsContact O-N 3.09Å; V238-I241 PolarHBondContact O-N 2.61Å; N239-I241 VanDerWaalsContact C-N 3.31Å; N239-I241 PolarHBondContact O-N 2.85Å; I241-D243 VanDerWaalsContact C-N 3.31Å; I241-D243 PolarHBondContact O-N 2.79Å; I241-I247 HydrophobicContact CB-CD1 4.29Å; I241-I247 HydrophobicContact CG1-CD1 4.33Å; I241-I247 HydrophobicContact CG2-CD1 4.26Å; I241-I250 HydrophobicContact CG2-CD1 3.99Å; I241-I250 HydrophobicContact CG2-CG1 4Å; I241-I250 HydrophobicContact CG2-CG2 4.26Å
242	C	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-29.7	-179.2	-65	0	0	0	0	113.4	V238 N239 F240 R265 N269 K271	V238-C242 PolarHBondContact O-N 2.77Å; V238-C242 PolarHBondContact O-SG 3.04Å; N239-C242 PolarHBondContact O-N 3.11Å; F240-C242 VanDerWaalsContact C-N 3.33Å; F240-C242 PolarHBondContact O-N 2.8Å; C242-R265 HydrophobicContact CB-CB 4.21Å; C242-R265 HydrophobicContact CB-CG 3.83Å; C242-N269 PolarHBondContact O-ND2 3.26Å; C242-K271 WeakPolarHBondContact O-CE 3.34Å
243	D	98.8	Very high	98.6	Very high	58 Å²	58	32.9 Å²	32.9	31%	0.31	18%	0.181	S	C	.	.	H	α-helix	trans	-102.1	-30.4	-170.2	-62.6	-24.8	0	0	0	113.2	N239 F240 I241 R265 N269	N239-D243 WeakPolarHBondContact O-CB 3.37Å; N239-D243 PolarHBondContact O-N 3.1Å; F240-D243 PolarHBondContact O-N 2.94Å; I241-D243 VanDerWaalsContact C-N 3.31Å; I241-D243 PolarHBondContact O-N 2.79Å; D243-R265 IonicContact OD1-CZ 3.44Å; D243-R265 IonicContact OD1-NE 2.59Å; D243-R265 PolarHBondContact OD1-NE 3.2Å; D243-R265 IonicContact OD1-NH2 2.74Å; D243-R265 PolarHBondContact OD1-NH2 3.41Å; D243-R265 IonicContact OD2-CZ 3.87Å; D243-R265 IonicContact OD2-NE 2.62Å; D243-R265 PolarHBondContact OD2-NE 3.15Å; D243-R265 IonicContact OD2-NH2 2.93Å; D243-R265 PolarHBondContact OD2-NH2 2.99Å; D243-N269 PolarHBondContact OD1-ND2 3.07Å; D243-N269 VanDerWaalsContact OD1-ND2 3.07Å
244	H	98.8	Very high	98.6	Very high	33 Å²	33	33.8 Å²	33.8	15%	0.153	19%	0.19	C	C	.	.			trans	-65.2	126.5	-170	-162.6	-77.3	0	0	0	112.3	V76 F240 A246 I247 K271	V76-H244 WeakPolarHBondContact CG1-CE1 3.45Å; F240-H244 HydrophobicContact CE1-CB 4.47Å; F240-H244 HydrophobicContact CE2-CB 4.42Å; F240-H244 AromaticContact CE2-CD2 3.49Å; F240-H244 VanDerWaalsContact CE2-CD2 3.49Å; F240-H244 WeakPolarHBondContact CE2-CD2 3.29Å; F240-H244 HydrophobicContact CZ-CB 4.27Å; F240-H244 AromaticContact CZ-CD2 3.54Å; F240-H244 VanDerWaalsContact O-CB 3.28Å; F240-H244 WeakPolarHBondContact O-CB 3.21Å; F240-H244 PolarHBondContact O-N 3.27Å; H244-A246 VanDerWaalsContact C-N 3.29Å; H244-A246 WeakPolarHBondContact ND1-CB 3.16Å; H244-A246 PolarHBondContact ND1-N 3.48Å; H244-A246 PolarHBondContact O-N 2.9Å; H244-I247 HydrophobicContact CB-CD1 4.14Å; H244-I247 HydrophobicContact CB-CG1 4.49Å; H244-I247 PolarHBondContact O-N 2.9Å; H244-K271 WeakPolarHBondContact O-CE 3.42Å; H244-K271 PolarHBondContact O-NZ 3.31Å
245	P	98.5	Very high	98.5	Very high	98 Å²	98	33.6 Å²	33.6	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22	-169.8	25.8	-35.7	0	0	0	114.7	I247 K248	P245-I247 VanDerWaalsContact C-N 3.31Å; P245-K248 PolarHBondContact O-NZ 2.69Å
246	A	98.6	Very high	98.5	Very high	24 Å²	24	28.3 Å²	28.3	20%	0.198	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.1	176.6	0	0	0	0	0	113	V76 H244 K248	V76-A246 HydrophobicContact CG1-CB 3.71Å; H244-A246 VanDerWaalsContact C-N 3.29Å; H244-A246 WeakPolarHBondContact ND1-CB 3.16Å; H244-A246 PolarHBondContact ND1-N 3.48Å; H244-A246 PolarHBondContact O-N 2.9Å; A246-K248 WeakPolarHBondContact O-CE 3.36Å
247	I	98.9	Very high	98.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.6	-178.3	-60.7	170.2	0	0	0	109.3	V76 V171 A173 L200 I241 H244 P245 I250 K271	V76-I247 HydrophobicContact CG2-CD1 4.14Å; V76-I247 HydrophobicContact CG2-CG1 4.34Å; V171-I247 HydrophobicContact CG1-CG1 4.18Å; V171-I247 WeakPolarHBondContact O-CA 3.16Å; A173-I247 HydrophobicContact CB-CD1 4.32Å; A173-I247 HydrophobicContact CB-CG2 3.82Å; L200-I247 HydrophobicContact CD2-CD1 4.14Å; I241-I247 HydrophobicContact CB-CD1 4.29Å; I241-I247 HydrophobicContact CG1-CD1 4.33Å; I241-I247 HydrophobicContact CG2-CD1 4.26Å; H244-I247 HydrophobicContact CB-CD1 4.14Å; H244-I247 HydrophobicContact CB-CG1 4.49Å; H244-I247 PolarHBondContact O-N 2.9Å; P245-I247 VanDerWaalsContact C-N 3.31Å; I247-I250 HydrophobicContact CG2-CG1 4.22Å; I247-K271 HydrophobicContact CG2-CD 4.37Å; I247-K271 WeakPolarHBondContact O-CD 3.49Å; I247-K271 PolarHBondContact O-NZ 3.29Å
248	K	98.8	Very high	98.3	Very high	100 Å²	100	34.7 Å²	34.7	44%	0.435	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-27.9	-173.2	-55.8	-56.7	175.9	-170.6	0	113.8	I169 V171 P245 A246 R272	I169-K248 HydrophobicContact CD1-CB 4.33Å; I169-K248 HydrophobicContact CG1-CB 4.39Å; I169-K248 WeakPolarHBondContact O-CG 3.44Å; V171-K248 PolarHBondContact O-N 3.26Å; P245-K248 PolarHBondContact O-NZ 2.69Å; A246-K248 WeakPolarHBondContact O-CE 3.36Å; K248-R272 PolarHBondContact O-N 3.43Å; K248-R272 VanDerWaalsContact O-N 3.1Å
249	A	98.9	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.5	178.9	0	0	0	0	0	111.9	I169 A173 R272 F498	I169-A249 HydrophobicContact CD1-CB 3.61Å; A173-A249 PolarHBondContact N-O 3.46Å; A249-R272 CarbonylContact C-O 3.55Å; A249-R272 VanDerWaalsContact CA-O 3.24Å; A249-R272 WeakPolarHBondContact CA-O 3.31Å; A249-R272 HydrophobicContact CB-CB 4.15Å; A249-F498 HydrophobicContact CB-CE1 3.74Å; A249-F498 HydrophobicContact CB-CZ 3.75Å
250	I	98.9	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.1	178.4	-55.5	173	0	0	0	109.4	A173 I175 I241 I247 I262 K271 R272 V273 Q274 F498	A173-I250 CarbonylContact O-C 3.39Å; A173-I250 WeakPolarHBondContact O-CA 3.46Å; I175-I250 HydrophobicContact CD1-CG2 4.26Å; I241-I250 HydrophobicContact CG2-CD1 3.99Å; I241-I250 HydrophobicContact CG2-CG1 4Å; I241-I250 HydrophobicContact CG2-CG2 4.26Å; I247-I250 HydrophobicContact CG2-CG1 4.22Å; I250-I262 HydrophobicContact CG2-CG2 3.82Å; I250-K271 HydrophobicContact CD1-CD 3.77Å; I250-K271 HydrophobicContact CG1-CD 4.18Å; I250-R272 PolarHBondContact N-O 3.09Å; I250-V273 HydrophobicContact CB-CG1 4.26Å; I250-V273 HydrophobicContact CB-CG2 4.29Å; I250-V273 HydrophobicContact CD1-CG2 4.5Å; I250-V273 WeakPolarHBondContact O-CA 3.27Å; I250-Q274 PolarHBondContact O-N 3.49Å; I250-F498 WeakPolarHBondContact O-CZ 3.48Å
251	S	98.9	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115	171.8	-175.8	0	0	0	0	109.2	A173 G174 I175 M188 Q274 F490 Y499	A173-S251 PolarHBondContact O-N 3.29Å; G174-S251 CarbonylContact C-O 3.59Å; G174-S251 VanDerWaalsContact CA-O 3.27Å; G174-S251 WeakPolarHBondContact CA-O 3.47Å; I175-S251 PolarHBondContact N-O 3.19Å; M188-S251 WeakPolarHBondContact CE-O 3.16Å; M188-S251 WeakPolarHBondContact CG-OG 3.32Å; S251-Q274 PolarHBondContact OG-NE2 2.91Å; S251-F490 VanDerWaalsContact OG-CE1 3.27Å; S251-F490 WeakPolarHBondContact OG-CE1 3.26Å; S251-Y499 WeakPolarHBondContact CB-OH 3.22Å
252	F	98.9	Very high	98.2	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.6	-178.5	170.4	-92.8	0	0	0	111.5	I175 G254 A258 I262 Q274 S275 N276 F490	I175-F252 HydrophobicContact CB-CD2 3.85Å; I175-F252 HydrophobicContact CG2-CD2 3.69Å; I175-F252 HydrophobicContact CG2-CE2 4.01Å; F252-G254 VanDerWaalsContact CE1-N 3.27Å; F252-G254 VanDerWaalsContact CZ-CA 3.43Å; F252-A258 HydrophobicContact CE2-CB 4.06Å; F252-A258 HydrophobicContact CZ-CB 3.62Å; F252-I262 HydrophobicContact CB-CD1 4.46Å; F252-I262 HydrophobicContact CB-CG2 4.18Å; F252-I262 HydrophobicContact CD2-CD1 3.19Å; F252-I262 HydrophobicContact CE2-CD1 3.41Å; F252-I262 VanDerWaalsContact CE2-CD1 3.41Å; F252-I262 HydrophobicContact CG-CD1 3.83Å; F252-I262 HydrophobicContact CZ-CD1 4.2Å; F252-Q274 PolarHBondContact N-O 2.93Å; F252-S275 VanDerWaalsContact CD1-OG 3.28Å; F252-S275 WeakPolarHBondContact CD1-OG 3.11Å; F252-S275 WeakPolarHBondContact O-CA 3.36Å; F252-N276 PolarHBondContact O-N 3.3Å; F252-F490 WeakPolarHBondContact O-CZ 3.45Å
253	V	98.8	Very high	98.2	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.9	163.4	-177.7	0	0	0	0	108.7	I175 P177 I184 M188 N276 F490	I175-V253 PolarHBondContact O-N 2.72Å; P177-V253 WeakPolarHBondContact CB-O 3.36Å; P177-V253 VanDerWaalsContact CD-O 3.22Å; P177-V253 WeakPolarHBondContact CD-O 3.31Å; P177-V253 HydrophobicContact CG-CB 4.26Å; P177-V253 HydrophobicContact CG-CG1 4.05Å; I184-V253 HydrophobicContact CD1-CB 4.32Å; I184-V253 HydrophobicContact CD1-CG1 3.81Å; I184-V253 HydrophobicContact CG2-CB 3.89Å; I184-V253 HydrophobicContact CG2-CG2 3.79Å; M188-V253 HydrophobicContact CE-CB 4.21Å; M188-V253 HydrophobicContact CE-CG2 3.64Å; V253-N276 WeakPolarHBondContact CA-O 3.45Å; V253-N276 HydrophobicContact CB-CB 4.32Å; V253-N276 HydrophobicContact CG1-CB 4.1Å; V253-N276 HydrophobicContact CG2-CB 3.95Å; V253-F490 HydrophobicContact CG2-CD1 4.17Å; V253-F490 HydrophobicContact CG2-CE1 3.57Å; V253-F490 HydrophobicContact CG2-CZ 3.88Å
254	G	97.4	Very high	98.2	Very high	21 Å²	21	45.8 Å²	45.8	22%	0.216	24%	0.239	C	C	.	.	S	Bend	trans	169.6	-148.9	178	0	0	0	0	0	113.4	F252 N276 M277	F252-G254 VanDerWaalsContact CE1-N 3.27Å; F252-G254 VanDerWaalsContact CZ-CA 3.43Å; G254-N276 PolarHBondContact N-O 3.1Å; G254-M277 CarbonylContact O-C 3.58Å; G254-M277 VanDerWaalsContact O-CA 3.32Å; G254-M277 WeakPolarHBondContact O-CA 3.49Å
255	S	96.5	Very high	98.2	Very high	64 Å²	64	48.1 Å²	48.1	45%	0.448	25%	0.247	S	C	.	.			trans	-76.3	160.2	-178.4	64.5	0	0	0	0	112.6	Q257 A258 G259	S255-Q257 PolarHBondContact O-N 2.98Å; S255-A258 PolarHBondContact O-N 3.16Å; S255-G259 PolarHBondContact O-N 2.91Å
256	N	96.1	Very high	98.2	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-54	-50.7	176.4	-59.3	-15.4	0	0	0	112.3	A258 G259 E260 M277 G278 Y436	N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 2.99Å; N256-G259 PolarHBondContact O-N 2.69Å; N256-G259 VanDerWaalsContact O-N 3.12Å; N256-E260 WeakPolarHBondContact O-CB 3.32Å; N256-E260 WeakPolarHBondContact O-CG 3.48Å; N256-E260 PolarHBondContact O-N 2.67Å; N256-M277 WeakPolarHBondContact OD1-CB 3.34Å; N256-G278 VanDerWaalsContact OD1-CA 3.32Å; N256-G278 WeakPolarHBondContact OD1-CA 3.22Å; N256-G278 PolarHBondContact OD1-N 2.91Å; N256-Y436 WeakPolarHBondContact ND2-CE1 3.34Å; N256-Y436 PolarHBondContact ND2-OH 3.21Å
257	Q	96.6	Very high	98.2	Very high	166 Å²	166	44.4 Å²	44.4	78%	0.776	22%	0.222	S	C	*	.	H	α-helix	trans	-58.3	-44.4	-175.5	-174.5	-177.1	17.6	0	0	112.1	S255 Y261	S255-Q257 PolarHBondContact O-N 2.98Å; Q257-Y261 VanDerWaalsContact O-CB 3.31Å; Q257-Y261 WeakPolarHBondContact O-CB 3.43Å; Q257-Y261 PolarHBondContact O-N 2.87Å
258	A	97.6	Very high	98.2	Very high	35 Å²	35	53.4 Å²	53.4	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-72.4	-39.7	177.6	0	0	0	0	0	111.5	F252 S255 N256 Y261 I262	F252-A258 HydrophobicContact CE2-CB 4.06Å; F252-A258 HydrophobicContact CZ-CB 3.62Å; S255-A258 PolarHBondContact O-N 3.16Å; N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 2.99Å; A258-Y261 PolarHBondContact O-N 3.4Å; A258-I262 WeakPolarHBondContact O-CB 3.3Å; A258-I262 WeakPolarHBondContact O-CD1 3.08Å; A258-I262 VanDerWaalsContact O-CG1 3.22Å; A258-I262 WeakPolarHBondContact O-CG1 3.23Å; A258-I262 PolarHBondContact O-N 3.03Å
259	G	97.9	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-41.7	-178	0	0	0	0	0	114.1	S255 N256 Y263 S275	S255-G259 PolarHBondContact O-N 2.91Å; N256-G259 PolarHBondContact O-N 2.69Å; N256-G259 VanDerWaalsContact O-N 3.12Å; G259-Y263 VanDerWaalsContact O-CB 3.23Å; G259-Y263 WeakPolarHBondContact O-CB 3.25Å; G259-Y263 PolarHBondContact O-N 3.45Å; G259-S275 VanDerWaalsContact C-OG 3.31Å; G259-S275 WeakPolarHBondContact CA-OG 3.38Å; G259-S275 PolarHBondContact O-OG 2.93Å
260	E	97.8	Very high	98.1	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-48.4	174.2	-70.2	179.1	159.6	0	0	110.1	N256 I262 Y263 E264 M277 R485	N256-E260 WeakPolarHBondContact O-CB 3.32Å; N256-E260 WeakPolarHBondContact O-CG 3.48Å; N256-E260 PolarHBondContact O-N 2.67Å; E260-I262 PolarHBondContact O-N 3.2Å; E260-Y263 PolarHBondContact O-N 2.89Å; E260-E264 WeakPolarHBondContact O-CB 3.42Å; E260-E264 WeakPolarHBondContact O-CG 3.06Å; E260-E264 PolarHBondContact O-N 3.37Å; E260-M277 HydrophobicContact CG-CE 4.1Å; E260-M277 HydrophobicContact CG-SD 3.68Å; E260-R485 IonicContact OE1-NH2 2.67Å
261	Y	98.6	Very high	98.1	Very high	84 Å²	84	56.4 Å²	56.4	33%	0.329	30%	0.298	S	S	.	.	H	α-helix	trans	-57.4	-47.1	177.6	175.9	-100.5	0	0	0	113	V238 N239 Q257 A258 R265	V238-Y261 HydrophobicContact CG1-CE1 4.48Å; N239-Y261 VanDerWaalsContact OD1-CE1 3.28Å; N239-Y261 WeakPolarHBondContact OD1-CE1 3.4Å; N239-Y261 PolarHBondContact OD1-OH 3.46Å; Q257-Y261 VanDerWaalsContact O-CB 3.31Å; Q257-Y261 WeakPolarHBondContact O-CB 3.43Å; Q257-Y261 PolarHBondContact O-N 2.87Å; A258-Y261 PolarHBondContact O-N 3.4Å; Y261-R265 VanDerWaalsContact O-CB 3.22Å; Y261-R265 WeakPolarHBondContact O-CB 3.45Å; Y261-R265 PolarHBondContact O-N 3.02Å; Y261-R265 WeakPolarHBondContact OH-CD 3.36Å; Y261-R265 PolarHBondContact OH-NH1 3.12Å
262	I	98.8	Very high	98.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-41.1	179.9	-71	163.5	0	0	0	110.9	I175 V238 I250 F252 A258 E260 G266 V273	I175-I262 HydrophobicContact CD1-CD1 3.87Å; I175-I262 HydrophobicContact CD1-CG1 4.49Å; V238-I262 HydrophobicContact CG1-CD1 3.69Å; V238-I262 HydrophobicContact CG1-CG1 3.56Å; I250-I262 HydrophobicContact CG2-CG2 3.82Å; F252-I262 HydrophobicContact CB-CD1 4.46Å; F252-I262 HydrophobicContact CB-CG2 4.18Å; F252-I262 HydrophobicContact CD2-CD1 3.19Å; F252-I262 HydrophobicContact CE2-CD1 3.41Å; F252-I262 VanDerWaalsContact CE2-CD1 3.41Å; F252-I262 HydrophobicContact CG-CD1 3.83Å; F252-I262 HydrophobicContact CZ-CD1 4.2Å; A258-I262 WeakPolarHBondContact O-CB 3.3Å; A258-I262 WeakPolarHBondContact O-CD1 3.08Å; A258-I262 VanDerWaalsContact O-CG1 3.22Å; A258-I262 WeakPolarHBondContact O-CG1 3.23Å; A258-I262 PolarHBondContact O-N 3.03Å; E260-I262 PolarHBondContact O-N 3.2Å; I262-G266 WeakPolarHBondContact O-CA 3.46Å; I262-G266 PolarHBondContact O-N 2.67Å; I262-V273 HydrophobicContact CG2-CG1 4.31Å
263	Y	98.8	Very high	98.1	Very high	73 Å²	73	60.1 Å²	60.1	29%	0.286	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-50	177	-175.9	-97.8	0	0	0	111.5	G259 E260 S267 V273 R485	G259-Y263 VanDerWaalsContact O-CB 3.23Å; G259-Y263 WeakPolarHBondContact O-CB 3.25Å; G259-Y263 PolarHBondContact O-N 3.45Å; E260-Y263 PolarHBondContact O-N 2.89Å; Y263-S267 WeakPolarHBondContact O-CB 3.38Å; Y263-S267 PolarHBondContact O-N 3.08Å; Y263-S267 PolarHBondContact O-OG 3.21Å; Y263-V273 HydrophobicContact CD2-CB 3.8Å; Y263-V273 HydrophobicContact CD2-CG1 3.95Å; Y263-V273 HydrophobicContact CE2-CB 4.29Å; Y263-R485 HydrophobicContact CD1-CB 3.84Å; Y263-R485 HydrophobicContact CD1-CG 4.3Å; Y263-R485 HydrophobicContact CD2-CB 3.46Å; Y263-R485 VanDerWaalsContact CD2-CB 3.46Å; Y263-R485 HydrophobicContact CE1-CB 4.13Å; Y263-R485 HydrophobicContact CE2-CB 3.81Å; Y263-R485 HydrophobicContact CG-CB 3.48Å; Y263-R485 VanDerWaalsContact CG-CB 3.48Å; Y263-R485 HydrophobicContact CG-CG 4.24Å
264	E	98.5	Very high	98	Very high	130 Å²	130	59.9 Å²	59.9	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-63	-51.9	179.4	-71.8	175.9	-180	0	0	111.9	E260 K268	E260-E264 WeakPolarHBondContact O-CB 3.42Å; E260-E264 WeakPolarHBondContact O-CG 3.06Å; E260-E264 PolarHBondContact O-N 3.37Å; E264-K268 WeakPolarHBondContact O-CB 3.38Å; E264-K268 PolarHBondContact O-N 2.92Å
265	R	98.6	Very high	98.1	Very high	82 Å²	82	58.9 Å²	58.9	31%	0.309	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-44.9	-176.6	-168.6	175.1	-175.8	120.8	4.2	111.8	C242 D243 Y261 K268 N269	C242-R265 HydrophobicContact CB-CB 4.21Å; C242-R265 HydrophobicContact CB-CG 3.83Å; D243-R265 IonicContact OD1-CZ 3.44Å; D243-R265 IonicContact OD1-NE 2.59Å; D243-R265 PolarHBondContact OD1-NE 3.2Å; D243-R265 IonicContact OD1-NH2 2.74Å; D243-R265 PolarHBondContact OD1-NH2 3.41Å; D243-R265 IonicContact OD2-CZ 3.87Å; D243-R265 IonicContact OD2-NE 2.62Å; D243-R265 PolarHBondContact OD2-NE 3.15Å; D243-R265 IonicContact OD2-NH2 2.93Å; D243-R265 PolarHBondContact OD2-NH2 2.99Å; Y261-R265 VanDerWaalsContact O-CB 3.22Å; Y261-R265 WeakPolarHBondContact O-CB 3.45Å; Y261-R265 PolarHBondContact O-N 3.02Å; Y261-R265 WeakPolarHBondContact OH-CD 3.36Å; Y261-R265 PolarHBondContact OH-NH1 3.12Å; R265-K268 PolarHBondContact O-N 3.41Å; R265-N269 PolarHBondContact O-N 3.49Å; R265-N269 PolarHBondContact O-ND2 3.27Å; R265-N269 VanDerWaalsContact O-ND2 3.1Å
266	G	98.7	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-45.8	178.1	0	0	0	0	0	112.3	I262 N269 K271	I262-G266 WeakPolarHBondContact O-CA 3.46Å; I262-G266 PolarHBondContact O-N 2.67Å; G266-N269 CarbonylContact O-C 3.44Å; G266-N269 PolarHBondContact O-N 2.99Å; G266-N269 VanDerWaalsContact O-N 3.16Å; G266-K271 WeakPolarHBondContact O-CB 3.31Å; G266-K271 PolarHBondContact O-N 3.44Å; G266-K271 VanDerWaalsContact O-N 3.15Å
267	S	98.4	Very high	98.2	Very high	44 Å²	44	54.1 Å²	54.1	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-67.3	-38.4	179.3	-55.9	0	0	0	0	112	Y263 N269 G270	Y263-S267 WeakPolarHBondContact O-CB 3.38Å; Y263-S267 PolarHBondContact O-N 3.08Å; Y263-S267 PolarHBondContact O-OG 3.21Å; S267-N269 PolarHBondContact O-N 3.32Å; S267-G270 PolarHBondContact O-N 2.9Å
268	K	98.4	Very high	98	Very high	190 Å²	190	46.3 Å²	46.3	83%	0.826	24%	0.235	S	C	*	.	H	α-helix	trans	-58.4	-30.6	173.2	-176.3	177.4	178.5	179.9	0	112.5	E264 R265 G270	E264-K268 WeakPolarHBondContact O-CB 3.38Å; E264-K268 PolarHBondContact O-N 2.92Å; R265-K268 PolarHBondContact O-N 3.41Å; K268-G270 VanDerWaalsContact C-N 3.28Å; K268-G270 PolarHBondContact O-N 3.09Å
269	N	98.4	Very high	98	Very high	75 Å²	75	44.8 Å²	44.8	40%	0.401	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	15.4	174.6	-71.8	-48.8	0	0	0	113.6	C242 D243 R265 G266 S267 K271	C242-N269 PolarHBondContact O-ND2 3.26Å; D243-N269 PolarHBondContact OD1-ND2 3.07Å; D243-N269 VanDerWaalsContact OD1-ND2 3.07Å; R265-N269 PolarHBondContact O-N 3.49Å; R265-N269 PolarHBondContact O-ND2 3.27Å; R265-N269 VanDerWaalsContact O-ND2 3.1Å; G266-N269 CarbonylContact O-C 3.44Å; G266-N269 PolarHBondContact O-N 2.99Å; G266-N269 VanDerWaalsContact O-N 3.16Å; S267-N269 PolarHBondContact O-N 3.32Å; N269-K271 VanDerWaalsContact C-N 3.32Å; N269-K271 HydrophobicContact CB-CG 4.47Å; N269-K271 PolarHBondContact O-N 3.44Å
270	G	97.8	Very high	97.9	Very high	73 Å²	73	44.9 Å²	44.9	75%	0.753	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	17	174.9	0	0	0	0	0	115	S267 K268	S267-G270 PolarHBondContact O-N 2.9Å; K268-G270 VanDerWaalsContact C-N 3.28Å; K268-G270 PolarHBondContact O-N 3.09Å
271	K	98.5	Very high	98	Very high	16 Å²	16	41.4 Å²	41.4	7%	0.07	21%	0.206	C	C	.	.			trans	-90.5	150.4	-179.8	-51.2	-175.9	-169.9	-43.6	0	110.6	C242 H244 I247 I250 G266 N269	C242-K271 WeakPolarHBondContact O-CE 3.34Å; H244-K271 WeakPolarHBondContact O-CE 3.42Å; H244-K271 PolarHBondContact O-NZ 3.31Å; I247-K271 HydrophobicContact CG2-CD 4.37Å; I247-K271 WeakPolarHBondContact O-CD 3.49Å; I247-K271 PolarHBondContact O-NZ 3.29Å; I250-K271 HydrophobicContact CD1-CD 3.77Å; I250-K271 HydrophobicContact CG1-CD 4.18Å; G266-K271 WeakPolarHBondContact O-CB 3.31Å; G266-K271 PolarHBondContact O-N 3.44Å; G266-K271 VanDerWaalsContact O-N 3.15Å; N269-K271 VanDerWaalsContact C-N 3.32Å; N269-K271 HydrophobicContact CB-CG 4.47Å; N269-K271 PolarHBondContact O-N 3.44Å
272	R	98.4	Very high	98	Very high	80 Å²	80	37.5 Å²	37.5	30%	0.302	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.2	165.3	-58.1	-179.2	69.3	-179.7	2.4	108.7	K248 A249 I250 Q497 F498 T500	K248-R272 PolarHBondContact O-N 3.43Å; K248-R272 VanDerWaalsContact O-N 3.1Å; A249-R272 CarbonylContact C-O 3.55Å; A249-R272 VanDerWaalsContact CA-O 3.24Å; A249-R272 WeakPolarHBondContact CA-O 3.31Å; A249-R272 HydrophobicContact CB-CB 4.15Å; I250-R272 PolarHBondContact N-O 3.09Å; R272-Q497 PolarHBondContact NH1-O 3.5Å; R272-Q497 PolarHBondContact NH2-O 3.48Å; R272-F498 HydrophobicContact CB-CE2 3.87Å; R272-F498 HydrophobicContact CB-CZ 4.31Å; R272-F498 VanDerWaalsContact CZ-O 3.29Å; R272-F498 PolarHBondContact NH1-O 2.82Å; R272-T500 PolarHBondContact NH1-O 3.11Å
273	V	98.8	Very high	98	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128	177.2	-169.4	0	0	0	0	110.3	I250 I262 Y263	I250-V273 HydrophobicContact CB-CG1 4.26Å; I250-V273 HydrophobicContact CB-CG2 4.29Å; I250-V273 HydrophobicContact CD1-CG2 4.5Å; I250-V273 WeakPolarHBondContact O-CA 3.27Å; I262-V273 HydrophobicContact CG2-CG1 4.31Å; Y263-V273 HydrophobicContact CD2-CB 3.8Å; Y263-V273 HydrophobicContact CD2-CG1 3.95Å; Y263-V273 HydrophobicContact CE2-CB 4.29Å
274	Q	98.6	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.6	164.9	67.1	-176.2	12.2	0	0	107.6	I250 S251 F252 F484 T488 N489 F490 F498	I250-Q274 PolarHBondContact O-N 3.49Å; S251-Q274 PolarHBondContact OG-NE2 2.91Å; F252-Q274 PolarHBondContact N-O 2.93Å; Q274-F484 HydrophobicContact CB-CE2 4.03Å; Q274-F484 HydrophobicContact CB-CZ 4.08Å; Q274-T488 VanDerWaalsContact CB-O 3.26Å; Q274-T488 WeakPolarHBondContact CB-O 3.29Å; Q274-T488 PolarHBondContact OE1-O 3.35Å; Q274-N489 PolarHBondContact OE1-O 3.23Å; Q274-F490 HydrophobicContact CB-CZ 4.31Å; Q274-F490 HydrophobicContact CG-CD1 4.45Å; Q274-F490 HydrophobicContact CG-CE1 3.92Å; Q274-F490 HydrophobicContact CG-CE2 4.47Å; Q274-F490 HydrophobicContact CG-CZ 3.89Å; Q274-F498 HydrophobicContact CB-CD2 4.1Å; Q274-F498 HydrophobicContact CB-CE2 3.77Å; Q274-F498 HydrophobicContact CB-CZ 4.12Å; Q274-F498 HydrophobicContact CG-CD1 4.19Å; Q274-F498 HydrophobicContact CG-CD2 4.11Å; Q274-F498 HydrophobicContact CG-CE1 3.85Å; Q274-F498 HydrophobicContact CG-CE2 3.77Å; Q274-F498 HydrophobicContact CG-CG 4.31Å; Q274-F498 HydrophobicContact CG-CZ 3.64Å; Q274-F498 VanDerWaalsContact OE1-CG 3.23Å
275	S	98.4	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	103.8	-169.6	-176	0	0	0	0	109.5	F252 G259 F484 R485	F252-S275 VanDerWaalsContact CD1-OG 3.28Å; F252-S275 WeakPolarHBondContact CD1-OG 3.11Å; F252-S275 WeakPolarHBondContact O-CA 3.36Å; G259-S275 VanDerWaalsContact C-OG 3.31Å; G259-S275 WeakPolarHBondContact CA-OG 3.38Å; G259-S275 PolarHBondContact O-OG 2.93Å; S275-F484 CarbonylContact O-C 3.53Å; S275-F484 WeakPolarHBondContact O-CA 3.22Å; S275-F484 WeakPolarHBondContact O-CD2 3.25Å; S275-R485 PolarHBondContact N-O 3.2Å; S275-R485 PolarHBondContact O-N 3.3Å
276	N	97.9	Very high	98	Very high	2 Å²	2	25 Å²	25	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.2	172.8	-162.5	86.5	0	0	0	109.8	F252 V253 G254 F477 F490	F252-N276 PolarHBondContact O-N 3.3Å; V253-N276 WeakPolarHBondContact CA-O 3.45Å; V253-N276 HydrophobicContact CB-CB 4.32Å; V253-N276 HydrophobicContact CG1-CB 4.1Å; V253-N276 HydrophobicContact CG2-CB 3.95Å; G254-N276 PolarHBondContact N-O 3.1Å; N276-F477 WeakPolarHBondContact OD1-CD1 3.23Å; N276-F477 WeakPolarHBondContact OD1-CE1 3.38Å; N276-F490 HydrophobicContact CB-CD2 4.41Å; N276-F490 HydrophobicContact CB-CE2 3.53Å; N276-F490 HydrophobicContact CB-CZ 3.7Å
277	M	96.1	Very high	98	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.154	C	C	.	.			trans	-116.8	-166.1	-171.7	-56.1	-167.3	-54	0	0	110.6	G254 N256 E260 G482 S483 R485	G254-M277 CarbonylContact O-C 3.58Å; G254-M277 VanDerWaalsContact O-CA 3.32Å; G254-M277 WeakPolarHBondContact O-CA 3.49Å; N256-M277 WeakPolarHBondContact OD1-CB 3.34Å; E260-M277 HydrophobicContact CG-CE 4.1Å; E260-M277 HydrophobicContact CG-SD 3.68Å; M277-G482 WeakPolarHBondContact CE-O 3.28Å; M277-S483 PolarHBondContact N-O 3.16Å; M277-R485 HydrophobicContact CE-CG 3.62Å; M277-R485 HydrophobicContact SD-CG 4.05Å
278	G	93.6	Very high	98	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	15%	0.153	C	C	.	.			trans	-65.2	171.5	-176.6	0	0	0	0	0	113.6	N256 E410 Y436 S483	N256-G278 VanDerWaalsContact OD1-CA 3.32Å; N256-G278 WeakPolarHBondContact OD1-CA 3.22Å; N256-G278 PolarHBondContact OD1-N 2.91Å; G278-E410 VanDerWaalsContact CA-OE2 3.24Å; G278-E410 WeakPolarHBondContact CA-OE2 3.34Å; G278-Y436 WeakPolarHBondContact O-CD1 3.43Å; G278-S483 WeakPolarHBondContact O-CB 3.45Å; G278-S483 PolarHBondContact O-OG 3.49Å
279	A	96.7	Very high	98	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	12%	0.118	C	C	.	.			trans	-140.9	161	-176.5	0	0	0	0	0	112.9	C310 E410 N438	A279-C310 WeakPolarHBondContact CB-O 2.99Å; A279-E410 PolarHBondContact N-OE1 3.26Å; A279-E410 VanDerWaalsContact O-CG 3.27Å; A279-E410 WeakPolarHBondContact O-CG 3.49Å; A279-N438 HydrophobicContact CB-CB 3.56Å
280	K	97.3	Very high	98	Very high	3 Å²	3	20 Å²	20	1%	0.013	12%	0.121	C	C	.	.			trans	-143.7	84.9	163.4	-164.6	81.1	175.8	-163.4	0	106.9	H282 C406 Y407 E409 N434 Y436	K280-H282 PolarHBondContact O-CE1 2.87Å; K280-H282 VanDerWaalsContact O-CE1 3.29Å; K280-H282 PolarHBondContact O-ND1 3.15Å; K280-C406 PolarHBondContact NZ-O 2.96Å; K280-Y407 WeakPolarHBondContact CD-O 3.35Å; K280-Y407 WeakPolarHBondContact CE-O 3.46Å; K280-Y407 PolarHBondContact NZ-O 2.9Å; K280-E409 PolarHBondContact NZ-O 3.43Å; K280-N434 PolarHBondContact O-ND2 2.91Å; K280-Y436 HydrophobicContact CB-CD2 3.56Å; K280-Y436 HydrophobicContact CB-CE2 4.21Å; K280-Y436 HydrophobicContact CB-CG 4.3Å
281	N	98.4	Very high	98	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	10%	0.097	C	C	.	.			trans	-81.9	137.6	-173.6	-50	-55.7	0	0	0	110.5	C310 M311 A312 S314 T315 G439	N281-C310 PolarHBondContact ND2-O 3.3Å; N281-M311 VanDerWaalsContact ND2-CA 3.32Å; N281-M311 WeakPolarHBondContact ND2-CA 3.48Å; N281-A312 WeakPolarHBondContact CB-O 3.34Å; N281-A312 PolarHBondContact ND2-O 2.91Å; N281-S314 PolarHBondContact O-N 3.28Å; N281-S314 PolarHBondContact O-OG 2.97Å; N281-T315 PolarHBondContact O-N 3.17Å; N281-T315 VanDerWaalsContact O-N 3.12Å; N281-G439 WeakPolarHBondContact CA-O 3.19Å; N281-G439 WeakPolarHBondContact CB-O 3.43Å; N281-G439 WeakPolarHBondContact OD1-CA 3.29Å; N281-G439 PolarHBondContact OD1-N 3.27Å; N281-G439 PolarHBondContact OD1-O 2.87Å
282	H	98.7	Very high	98	Very high	2 Å²	2	23 Å²	23	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.9	179.4	-60.6	71	0	0	0	111	K280 T315 I317 Y407 V431 N434 T440 A441	K280-H282 PolarHBondContact O-CE1 2.87Å; K280-H282 VanDerWaalsContact O-CE1 3.29Å; K280-H282 PolarHBondContact O-ND1 3.15Å; H282-T315 CarbonylContact C-O 3.53Å; H282-T315 VanDerWaalsContact CA-O 3.29Å; H282-T315 WeakPolarHBondContact CA-O 3.43Å; H282-T315 VanDerWaalsContact CD2-CG2 3.46Å; H282-T315 WeakPolarHBondContact CD2-CG2 3.35Å; H282-I317 HydrophobicContact CB-CD1 4.15Å; H282-Y407 AromaticContact NE2-CE2 3.44Å; H282-Y407 WeakPolarHBondContact NE2-CE2 3.46Å; H282-Y407 AromaticContact NE2-CZ 3.56Å; H282-Y407 PolarHBondContact NE2-OH 2.88Å; H282-V431 HydrophobicContact CB-CG2 3.63Å; H282-N434 PolarHBondContact CE1-ND2 3.44Å; H282-T440 CarbonylContact O-C 3.55Å; H282-T440 VanDerWaalsContact O-CA 3.31Å; H282-T440 WeakPolarHBondContact O-CA 3.39Å; H282-T440 PolarHBondContact O-OG1 3.05Å; H282-A441 PolarHBondContact O-N 2.98Å
283	G	98.6	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.5	165.7	0	0	0	0	0	110.7	T315 A316 I317 A441	G283-T315 PolarHBondContact N-O 2.9Å; G283-A316 CarbonylContact O-C 3.57Å; G283-A316 WeakPolarHBondContact O-CA 3.45Å; G283-I317 PolarHBondContact O-N 3.37Å; G283-A441 CarbonylContact C-O 3.51Å; G283-A441 WeakPolarHBondContact CA-O 3.4Å
284	V	98.9	Very high	98	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.8	176.7	179.9	0	0	0	0	109.3	M286 I317 V319 L424 A427 V431 A441 I442 F443 Y453	V284-M286 HydrophobicContact CG1-SD 4.17Å; V284-I317 HydrophobicContact CG2-CB 4.35Å; V284-I317 HydrophobicContact CG2-CD1 4.06Å; V284-V319 HydrophobicContact CG1-CG2 3.76Å; V284-L424 HydrophobicContact CG1-CD1 4.36Å; V284-A427 HydrophobicContact CG1-CB 3.67Å; V284-A427 HydrophobicContact CG2-CB 3.97Å; V284-V431 HydrophobicContact CG2-CG2 4.17Å; V284-A441 PolarHBondContact N-O 2.82Å; V284-I442 HydrophobicContact CB-CG1 4.43Å; V284-I442 CarbonylContact O-C 3.38Å; V284-I442 WeakPolarHBondContact O-CA 3.5Å; V284-F443 PolarHBondContact O-N 2.68Å; V284-Y453 HydrophobicContact CB-CE2 4.26Å; V284-Y453 HydrophobicContact CG2-CE2 3.7Å
285	V	98.9	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.9	-178.3	-176.3	0	0	0	0	109.3	A289 T294 L298 I317 L318 V319 A322 W325 F443	V285-A289 HydrophobicContact CG1-CB 4.39Å; V285-T294 HydrophobicContact CG1-CG2 3.89Å; V285-T294 HydrophobicContact CG2-CG2 3.94Å; V285-L298 HydrophobicContact CG2-CD1 4.09Å; V285-I317 PolarHBondContact N-O 2.86Å; V285-L318 HydrophobicContact CB-CD2 3.85Å; V285-L318 HydrophobicContact CG1-CD2 4.33Å; V285-L318 HydrophobicContact CG2-CD2 3.91Å; V285-V319 WeakPolarHBondContact O-CB 3.22Å; V285-V319 PolarHBondContact O-N 3.35Å; V285-A322 HydrophobicContact CB-CB 4.5Å; V285-A322 HydrophobicContact CG1-CB 3.98Å; V285-W325 HydrophobicContact CG1-CE3 3.82Å; V285-W325 HydrophobicContact CG1-CH2 4.34Å; V285-W325 HydrophobicContact CG1-CZ3 3.38Å; V285-F443 HydrophobicContact CG2-CD2 3.97Å
286	M	98.9	Very high	97.9	Very high	23 Å²	23	27 Å²	27	11%	0.113	14%	0.143	C	C	.	.			trans	-83.3	152.5	176.1	-60.4	-58	-63.7	0	0	111.3	V284 D288 A289 V319 L424 I442 F443	V284-M286 HydrophobicContact CG1-SD 4.17Å; M286-D288 WeakPolarHBondContact CB-OD1 3.28Å; M286-D288 PolarHBondContact O-N 2.91Å; M286-D288 VanDerWaalsContact O-N 3.15Å; M286-A289 WeakPolarHBondContact O-CB 3.3Å; M286-A289 PolarHBondContact O-N 3.28Å; M286-V319 HydrophobicContact CE-CG1 4.13Å; M286-V319 HydrophobicContact SD-CB 4Å; M286-V319 HydrophobicContact SD-CG1 4.11Å; M286-V319 HydrophobicContact SD-CG2 3.85Å; M286-L424 HydrophobicContact CE-CB 4Å; M286-L424 HydrophobicContact SD-CB 4.17Å; M286-L424 HydrophobicContact SD-CD1 3.97Å; M286-I442 HydrophobicContact CG-CD1 4.07Å; M286-I442 HydrophobicContact CG-CG1 4.21Å; M286-F443 WeakPolarHBondContact CB-O 3.38Å; M286-F443 PolarHBondContact N-O 2.96Å
287	P	98.4	Very high	97.9	Very high	50 Å²	50	29 Å²	29	33%	0.325	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29	177.7	-29.2	36.6	0	0	0	115.2	A289 V319 E321	P287-A289 VanDerWaalsContact C-N 3.32Å; P287-V319 WeakPolarHBondContact CD-O 3.29Å; P287-V319 WeakPolarHBondContact CG-O 3.46Å; P287-E321 HydrophobicContact CB-CB 4.17Å; P287-E321 HydrophobicContact CG-CB 4.35Å
288	D	98.5	Very high	98	Very high	55 Å²	55	29 Å²	29	29%	0.294	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.1	-177.8	75.3	-50.7	0	0	0	113.1	M286 T444 T445 N446	M286-D288 WeakPolarHBondContact CB-OD1 3.28Å; M286-D288 PolarHBondContact O-N 2.91Å; M286-D288 VanDerWaalsContact O-N 3.15Å; D288-T444 VanDerWaalsContact CG-OG1 3.22Å; D288-T444 PolarHBondContact OD1-OG1 2.6Å; D288-T444 PolarHBondContact OD2-OG1 2.92Å; D288-T445 WeakPolarHBondContact O-CG2 3.27Å; D288-T445 PolarHBondContact O-OG1 3.1Å; D288-T445 WeakPolarHBondContact OD2-CA 3.5Å; D288-T445 PolarHBondContact OD2-N 3.41Å; D288-T445 PolarHBondContact OD2-OG1 3.45Å; D288-T445 VanDerWaalsContact OD2-OG1 3.06Å; D288-N446 VanDerWaalsContact OD2-CB 3.28Å; D288-N446 WeakPolarHBondContact OD2-CB 3.21Å; D288-N446 PolarHBondContact OD2-N 2.86Å
289	A	98.7	Very high	98.3	Very high	9 Å²	9	29.4 Å²	29.4	7%	0.074	15%	0.154	C	C	.	.	S	Bend	trans	-62.7	151.3	175.7	0	0	0	0	0	111.1	V285 M286 P287 K291 W325 F443	V285-A289 HydrophobicContact CG1-CB 4.39Å; M286-A289 WeakPolarHBondContact O-CB 3.3Å; M286-A289 PolarHBondContact O-N 3.28Å; P287-A289 VanDerWaalsContact C-N 3.32Å; A289-K291 PolarHBondContact O-N 2.89Å; A289-W325 HydrophobicContact CB-CH2 4.04Å; A289-W325 HydrophobicContact CB-CZ3 4.15Å; A289-F443 HydrophobicContact CB-CB 3.85Å; A289-F443 WeakPolarHBondContact CB-O 3.27Å
290	N	98.4	Very high	98.3	Very high	90 Å²	90	31.3 Å²	31.3	48%	0.481	17%	0.174	S	C	.	.			trans	-66.1	101.6	166.8	-178.2	-46.9	0	0	0	108.7	E292 N293 T294	N290-E292 PolarHBondContact O-N 3.34Å; N290-E292 PolarHBondContact OD1-N 3.34Å; N290-N293 HydrophobicContact CB-CB 4.2Å; N290-N293 PolarHBondContact O-N 3.08Å; N290-N293 WeakPolarHBondContact OD1-CB 3.44Å; N290-N293 PolarHBondContact OD1-N 2.89Å; N290-T294 VanDerWaalsContact O-CB 3.25Å; N290-T294 WeakPolarHBondContact O-CB 3.38Å; N290-T294 PolarHBondContact O-N 2.83Å; N290-T294 PolarHBondContact O-OG1 2.93Å
291	K	98.3	Very high	98.3	Very high	56 Å²	56	31.3 Å²	31.3	24%	0.243	17%	0.174	C	C	.	.	H	α-helix	trans	-53.9	-53.6	-174.9	-179.2	-175.1	-177.4	-161.9	0	112.7	A289 N293 T294 L295 W325 E328	A289-K291 PolarHBondContact O-N 2.89Å; K291-N293 PolarHBondContact O-N 3.19Å; K291-T294 PolarHBondContact O-N 2.98Å; K291-L295 HydrophobicContact CG-CD1 3.97Å; K291-L295 HydrophobicContact CG-CG 4.35Å; K291-L295 WeakPolarHBondContact O-CG 3.23Å; K291-L295 PolarHBondContact O-N 2.62Å; K291-W325 HydrophobicContact CB-CD2 4.31Å; K291-W325 HydrophobicContact CB-CE3 4.31Å; K291-W325 HydrophobicContact CB-CH2 4.04Å; K291-W325 HydrophobicContact CB-CZ2 4.02Å; K291-W325 HydrophobicContact CB-CZ3 4.17Å; K291-W325 HydrophobicContact CD-CD2 4.09Å; K291-W325 HydrophobicContact CD-CG 4.09Å; K291-W325 VanDerWaalsContact CE-CD1 3.49Å; K291-W325 HydrophobicContact CG-CD2 3.7Å; K291-W325 HydrophobicContact CG-CE3 3.94Å; K291-W325 HydrophobicContact CG-CG 4.05Å; K291-W325 HydrophobicContact CG-CH2 4.47Å; K291-W325 HydrophobicContact CG-CZ2 4.26Å; K291-W325 HydrophobicContact CG-CZ3 4.31Å; K291-E328 VanDerWaalsContact CE-OE1 3.28Å; K291-E328 WeakPolarHBondContact CE-OE1 3.34Å; K291-E328 VanDerWaalsContact CE-OE2 3.25Å; K291-E328 WeakPolarHBondContact CE-OE2 3.11Å; K291-E328 IonicContact NZ-OE1 3.87Å; K291-E328 PolarHBondContact NZ-OE1 3.09Å; K291-E328 IonicContact NZ-OE2 3.69Å; K291-E328 PolarHBondContact NZ-OE2 2.72Å
292	E	98.1	Very high	98.3	Very high	98 Å²	98	31.2 Å²	31.2	46%	0.458	17%	0.174	S	C	.	.	H	α-helix	trans	-59.1	-47.5	-175.2	-71	-55.4	120	0	0	112.2	N290 N296 R332	N290-E292 PolarHBondContact O-N 3.34Å; N290-E292 PolarHBondContact OD1-N 3.34Å; E292-N296 PolarHBondContact O-N 3.28Å; E292-N296 PolarHBondContact O-ND2 3.18Å; E292-R332 PolarHBondContact O-NH1 3.47Å; E292-R332 IonicContact OE1-NH2 3.47Å; E292-R332 PolarHBondContact OE1-NH2 3.4Å; E292-R332 VanDerWaalsContact OE1-NH2 3.12Å; E292-R332 IonicContact OE2-CZ 2.66Å; E292-R332 IonicContact OE2-NH1 3Å; E292-R332 IonicContact OE2-NH2 3.9Å; E292-R332 PolarHBondContact OE2-NH2 3.22Å
293	N	97.8	Very high	98.3	Very high	74 Å²	74	31.1 Å²	31.1	40%	0.396	17%	0.174	S	C	.	.	H	α-helix	trans	-66.8	-43	177.8	-173.6	30.3	0	0	0	111.4	N290 K291 N296 Q297	N290-N293 HydrophobicContact CB-CB 4.2Å; N290-N293 PolarHBondContact O-N 3.08Å; N290-N293 WeakPolarHBondContact OD1-CB 3.44Å; N290-N293 PolarHBondContact OD1-N 2.89Å; K291-N293 PolarHBondContact O-N 3.19Å; N293-N296 PolarHBondContact O-N 3.2Å; N293-Q297 VanDerWaalsContact CG-NE2 3.29Å; N293-Q297 PolarHBondContact ND2-NE2 3.44Å; N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 VanDerWaalsContact O-CG 3.31Å; N293-Q297 WeakPolarHBondContact O-CG 3.21Å; N293-Q297 PolarHBondContact O-N 2.89Å; N293-Q297 PolarHBondContact OD1-NE2 3.5Å; N293-Q297 VanDerWaalsContact OD1-NE2 3.15Å
294	T	98.6	Very high	98.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-49.8	-178.5	-59.1	0	0	0	0	111.2	V285 N290 K291 N296 Q297 L298 F443	V285-T294 HydrophobicContact CG1-CG2 3.89Å; V285-T294 HydrophobicContact CG2-CG2 3.94Å; N290-T294 VanDerWaalsContact O-CB 3.25Å; N290-T294 WeakPolarHBondContact O-CB 3.38Å; N290-T294 PolarHBondContact O-N 2.83Å; N290-T294 PolarHBondContact O-OG1 2.93Å; K291-T294 PolarHBondContact O-N 2.98Å; T294-N296 VanDerWaalsContact C-N 3.34Å; T294-N296 PolarHBondContact O-N 2.89Å; T294-Q297 PolarHBondContact O-N 3.32Å; T294-Q297 VanDerWaalsContact O-N 3.16Å; T294-L298 HydrophobicContact CG2-CD1 4.11Å; T294-L298 HydrophobicContact CG2-CG 4.23Å; T294-L298 VanDerWaalsContact O-CG 3.3Å; T294-L298 WeakPolarHBondContact O-CG 3.48Å; T294-L298 PolarHBondContact O-N 2.92Å; T294-F443 HydrophobicContact CG2-CB 3.84Å; T294-F443 HydrophobicContact CG2-CD1 3.8Å; T294-F443 HydrophobicContact CG2-CD2 3.95Å; T294-F443 HydrophobicContact CG2-CE1 4.35Å; T294-F443 HydrophobicContact CG2-CE2 4.47Å; T294-F443 HydrophobicContact CG2-CG 3.58Å
295	L	98.4	Very high	98	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-42.1	-179.7	-68.8	-178	0	0	0	112.2	K291 L298 V299 W325 E328 L329	K291-L295 HydrophobicContact CG-CD1 3.97Å; K291-L295 HydrophobicContact CG-CG 4.35Å; K291-L295 WeakPolarHBondContact O-CG 3.23Å; K291-L295 PolarHBondContact O-N 2.62Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 2.84Å; L295-V299 WeakPolarHBondContact O-CG2 3.27Å; L295-V299 PolarHBondContact O-N 2.92Å; L295-W325 HydrophobicContact CD1-CB 4.48Å; L295-W325 HydrophobicContact CD2-CB 4.19Å; L295-E328 HydrophobicContact CD1-CB 3.82Å; L295-L329 HydrophobicContact CD2-CB 3.82Å; L295-L329 HydrophobicContact CD2-CD1 4.07Å; L295-L329 HydrophobicContact CD2-CG 4.38Å
296	N	97.8	Very high	97.9	Very high	93 Å²	93	31.8 Å²	31.8	50%	0.497	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-43.4	174.9	-75.1	-23.8	0	0	0	112.2	E292 N293 T294 V299 G300 R332	E292-N296 PolarHBondContact O-N 3.28Å; E292-N296 PolarHBondContact O-ND2 3.18Å; N293-N296 PolarHBondContact O-N 3.2Å; T294-N296 VanDerWaalsContact C-N 3.34Å; T294-N296 PolarHBondContact O-N 2.89Å; N296-V299 PolarHBondContact O-N 3.45Å; N296-G300 PolarHBondContact O-N 3.36Å; N296-G300 VanDerWaalsContact O-N 3.1Å; N296-R332 PolarHBondContact ND2-NH1 3.36Å; N296-R332 PolarHBondContact OD1-NH1 2.89Å
297	Q	97.8	Very high	97.8	Very high	44 Å²	44	30.9 Å²	30.9	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-38.9	179.5	-77.5	-167.4	83.7	0	0	112.7	N293 T294 A301 F443 N465 P467	N293-Q297 VanDerWaalsContact CG-NE2 3.29Å; N293-Q297 PolarHBondContact ND2-NE2 3.44Å; N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 VanDerWaalsContact O-CG 3.31Å; N293-Q297 WeakPolarHBondContact O-CG 3.21Å; N293-Q297 PolarHBondContact O-N 2.89Å; N293-Q297 PolarHBondContact OD1-NE2 3.5Å; N293-Q297 VanDerWaalsContact OD1-NE2 3.15Å; T294-Q297 PolarHBondContact O-N 3.32Å; T294-Q297 VanDerWaalsContact O-N 3.16Å; Q297-A301 VanDerWaalsContact O-CB 3.23Å; Q297-A301 WeakPolarHBondContact O-CB 3.27Å; Q297-A301 PolarHBondContact O-N 2.9Å; Q297-F443 HydrophobicContact CB-CE1 4.24Å; Q297-N465 PolarHBondContact NE2-O 3.45Å; Q297-N465 PolarHBondContact OE1-O 2.9Å; Q297-P467 HydrophobicContact CB-CG 3.97Å; Q297-P467 HydrophobicContact CG-CG 4.5Å
298	L	98.4	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-45.8	174.5	-69.8	176.9	0	0	0	111.4	V285 T294 L295 A301 A302 L313 A316 L329 F443	V285-L298 HydrophobicContact CG2-CD1 4.09Å; T294-L298 HydrophobicContact CG2-CD1 4.11Å; T294-L298 HydrophobicContact CG2-CG 4.23Å; T294-L298 VanDerWaalsContact O-CG 3.3Å; T294-L298 WeakPolarHBondContact O-CG 3.48Å; T294-L298 PolarHBondContact O-N 2.92Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 2.84Å; L298-A301 PolarHBondContact O-N 2.82Å; L298-A302 VanDerWaalsContact O-CB 3.28Å; L298-A302 WeakPolarHBondContact O-CB 3.07Å; L298-A302 PolarHBondContact O-N 2.8Å; L298-L313 HydrophobicContact CD2-CD2 3.2Å; L298-A316 HydrophobicContact CD2-CB 4.41Å; L298-L329 HydrophobicContact CB-CD1 3.96Å; L298-L329 HydrophobicContact CD1-CD1 4.25Å; L298-L329 HydrophobicContact CD1-CD2 4.16Å; L298-F443 HydrophobicContact CD2-CE2 3.9Å; L298-F443 HydrophobicContact CD2-CZ 4.29Å
299	V	98.2	Very high	97.8	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-52.3	178.6	171.9	0	0	0	0	110.8	L295 N296 A301 A302 F303 L329 R332 L336	L295-V299 WeakPolarHBondContact O-CG2 3.27Å; L295-V299 PolarHBondContact O-N 2.92Å; N296-V299 PolarHBondContact O-N 3.45Å; V299-A301 VanDerWaalsContact C-N 3.28Å; V299-A301 PolarHBondContact O-N 2.99Å; V299-A302 PolarHBondContact O-N 2.97Å; V299-F303 HydrophobicContact CB-CD2 4.39Å; V299-F303 HydrophobicContact CG1-CD2 3.97Å; V299-F303 HydrophobicContact CG1-CE2 4.49Å; V299-F303 WeakPolarHBondContact O-CD2 3.22Å; V299-F303 PolarHBondContact O-N 2.84Å; V299-L329 HydrophobicContact CG2-CD1 3.78Å; V299-R332 HydrophobicContact CG2-CB 3.85Å; V299-L336 HydrophobicContact CG1-CD1 3.69Å; V299-L336 HydrophobicContact CG1-CD2 3.84Å; V299-L336 HydrophobicContact CG1-CG 3.97Å
300	G	97.3	Very high	97.6	Very high	42 Å²	42	28 Å²	28	43%	0.433	16%	0.155	S	C	.	.	H	α-helix	trans	-60.4	-38.7	179.3	0	0	0	0	0	112.8	N296 G304	N296-G300 PolarHBondContact O-N 3.36Å; N296-G300 VanDerWaalsContact O-N 3.1Å; G300-G304 WeakPolarHBondContact O-CA 3.5Å; G300-G304 PolarHBondContact O-N 2.92Å
301	A	97.7	Very high	97.6	Very high	2 Å²	2	24 Å²	24	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-78.7	-27.7	-177	0	0	0	0	0	115	Q297 L298 V299 A312 L313 P467 I468	Q297-A301 VanDerWaalsContact O-CB 3.23Å; Q297-A301 WeakPolarHBondContact O-CB 3.27Å; Q297-A301 PolarHBondContact O-N 2.9Å; L298-A301 PolarHBondContact O-N 2.82Å; V299-A301 VanDerWaalsContact C-N 3.28Å; V299-A301 PolarHBondContact O-N 2.99Å; A301-A312 WeakPolarHBondContact O-CA 3.29Å; A301-L313 HydrophobicContact CB-CB 3.66Å; A301-L313 PolarHBondContact O-N 3.15Å; A301-P467 HydrophobicContact CB-CB 3.41Å; A301-P467 VanDerWaalsContact CB-CB 3.41Å; A301-P467 HydrophobicContact CB-CG 3.77Å; A301-I468 HydrophobicContact CB-CD1 3.99Å; A301-I468 HydrophobicContact CB-CG1 3.84Å
302	A	98.2	Very high	97.6	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-82.5	-41.2	177.2	0	0	0	0	0	112.3	L298 V299 G307 L416	L298-A302 VanDerWaalsContact O-CB 3.28Å; L298-A302 WeakPolarHBondContact O-CB 3.07Å; L298-A302 PolarHBondContact O-N 2.8Å; V299-A302 PolarHBondContact O-N 2.97Å; A302-G307 WeakPolarHBondContact O-CA 3.37Å; A302-L416 HydrophobicContact CB-CB 3.97Å; A302-L416 HydrophobicContact CB-CD1 4.09Å; A302-L416 HydrophobicContact CB-CD2 4.38Å; A302-L416 HydrophobicContact CB-CG 4.38Å
303	F	98.4	Very high	97.5	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-107.3	-16.7	-167.7	-52.6	-63.7	0	0	0	114.4	V299 A306 G307 A333 L336 V348 P394 I396 P414 L416	V299-F303 HydrophobicContact CB-CD2 4.39Å; V299-F303 HydrophobicContact CG1-CD2 3.97Å; V299-F303 HydrophobicContact CG1-CE2 4.49Å; V299-F303 WeakPolarHBondContact O-CD2 3.22Å; V299-F303 PolarHBondContact O-N 2.84Å; F303-A306 VanDerWaalsContact O-CA 3.28Å; F303-A306 WeakPolarHBondContact O-CA 3.3Å; F303-A306 PolarHBondContact O-N 2.78Å; F303-G307 PolarHBondContact O-N 3.14Å; F303-A333 HydrophobicContact CD2-CB 4.34Å; F303-A333 HydrophobicContact CE2-CB 3.56Å; F303-A333 HydrophobicContact CZ-CB 3.97Å; F303-L336 HydrophobicContact CB-CD1 3.61Å; F303-L336 HydrophobicContact CD2-CD1 3.65Å; F303-L336 HydrophobicContact CG-CD1 3.83Å; F303-V348 HydrophobicContact CB-CG2 4.16Å; F303-P394 HydrophobicContact CD1-CB 3.84Å; F303-P394 HydrophobicContact CD2-CB 4.44Å; F303-P394 HydrophobicContact CE1-CB 3.83Å; F303-P394 HydrophobicContact CE2-CB 4.44Å; F303-P394 HydrophobicContact CG-CB 4.16Å; F303-P394 HydrophobicContact CZ-CB 4.15Å; F303-I396 HydrophobicContact CZ-CD1 4.32Å; F303-I396 HydrophobicContact CZ-CG1 3.9Å; F303-P414 HydrophobicContact CD1-CB 3.92Å; F303-P414 WeakPolarHBondContact CD1-O 3.35Å; F303-P414 VanDerWaalsContact CE1-O 3.32Å; F303-P414 WeakPolarHBondContact CE1-O 3.49Å; F303-L416 HydrophobicContact CE1-CB 4.3Å; F303-L416 HydrophobicContact CZ-CB 3.88Å
304	G	95.6	Very high	97.5	Very high	10 Å²	10	14.5 Å²	14.5	10%	0.103	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-56.5	141.5	176.2	0	0	0	0	0	112.5	G300 A306 G307 R309	G300-G304 WeakPolarHBondContact O-CA 3.5Å; G300-G304 PolarHBondContact O-N 2.92Å; G304-A306 PolarHBondContact O-N 2.84Å; G304-G307 PolarHBondContact O-N 2.8Å; G304-R309 VanDerWaalsContact C-NH2 3.34Å; G304-R309 PolarHBondContact O-NE 3.47Å
305	A	95.7	Very high	97.5	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.025	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	47.1	35.9	-167.8	0	0	0	0	0	114	K122 D126 G307 Q308 R309	K122-A305 HydrophobicContact CB-CB 4.16Å; D126-A305 WeakPolarHBondContact OD2-CA 3.45Å; D126-A305 PolarHBondContact OD2-N 2.82Å; A305-G307 PolarHBondContact O-N 2.85Å; A305-Q308 PolarHBondContact O-N 3.06Å; A305-Q308 VanDerWaalsContact O-N 3.14Å; A305-R309 HydrophobicContact CB-CG 4.13Å; A305-R309 VanDerWaalsContact CB-NE 3.31Å
306	A	97.5	Very high	97.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	54.2	33.3	-174.8	0	0	0	0	0	113.6	F303 G304 Q308 V348 G349 L351 G413 P414	F303-A306 VanDerWaalsContact O-CA 3.28Å; F303-A306 WeakPolarHBondContact O-CA 3.3Å; F303-A306 PolarHBondContact O-N 2.78Å; G304-A306 PolarHBondContact O-N 2.84Å; A306-Q308 PolarHBondContact O-N 2.81Å; A306-Q308 VanDerWaalsContact O-N 3.09Å; A306-V348 HydrophobicContact CB-CG1 3.95Å; A306-G349 WeakPolarHBondContact CB-O 3.42Å; A306-L351 HydrophobicContact CB-CD2 4.15Å; A306-G413 CarbonylContact O-C 3.58Å; A306-G413 WeakPolarHBondContact O-CA 3.41Å; A306-P414 WeakPolarHBondContact O-CD 3.17Å
307	G	97.1	Very high	97.6	Very high	3 Å²	3	9.9 Å²	9.9	3%	0.031	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	66.7	6.8	-179.5	0	0	0	0	0	115.1	A302 F303 G304 A305 R309	A302-G307 WeakPolarHBondContact O-CA 3.37Å; F303-G307 PolarHBondContact O-N 3.14Å; G304-G307 PolarHBondContact O-N 2.8Å; A305-G307 PolarHBondContact O-N 2.85Å; G307-R309 PolarHBondContact O-N 3.04Å
308	Q	98.4	Very high	97.6	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.014	6%	0.057	C	C	.	.			trans	-79.6	52.1	178.3	-63.3	174.4	110.7	0	0	111.1	F178 N179 A305 A306 P350 L351 F412	F178-Q308 HydrophobicContact CE2-CB 4.42Å; N179-Q308 VanDerWaalsContact CB-O 3.22Å; N179-Q308 WeakPolarHBondContact CB-O 3.47Å; N179-Q308 PolarHBondContact ND2-O 2.83Å; A305-Q308 PolarHBondContact O-N 3.06Å; A305-Q308 VanDerWaalsContact O-N 3.14Å; A306-Q308 PolarHBondContact O-N 2.81Å; A306-Q308 VanDerWaalsContact O-N 3.09Å; Q308-P350 PolarHBondContact NE2-O 2.86Å; Q308-L351 HydrophobicContact CG-CD2 3.64Å; Q308-F412 VanDerWaalsContact C-CZ 3.44Å; Q308-F412 HydrophobicContact CB-CD1 3.9Å; Q308-F412 HydrophobicContact CB-CE1 3.68Å; Q308-F412 HydrophobicContact CB-CZ 4.4Å; Q308-F412 HydrophobicContact CG-CD1 4.04Å; Q308-F412 HydrophobicContact CG-CE1 4.28Å; Q308-F412 WeakPolarHBondContact CG-O 3.37Å
309	R	97.3	Very high	97.7	Very high	37 Å²	37	8 Å²	8	14%	0.14	6%	0.058	C	C	.	.			trans	-129	134.1	-179.7	-51.4	178.6	179.6	-174.6	-2.3	109	D126 F180 G304 A305 G307 M311 A312	D126-R309 IonicContact OD1-CZ 3.26Å; D126-R309 IonicContact OD1-NH2 2.58Å; D126-R309 PolarHBondContact OD1-NH2 3.06Å; D126-R309 IonicContact OD2-NH2 2.95Å; D126-R309 PolarHBondContact OD2-NH2 3.28Å; F180-R309 HydrophobicContact CE2-CB 4.17Å; F180-R309 HydrophobicContact CE2-CG 4.18Å; F180-R309 HydrophobicContact CZ-CB 4.2Å; F180-R309 HydrophobicContact CZ-CG 3.82Å; G304-R309 VanDerWaalsContact C-NH2 3.34Å; G304-R309 PolarHBondContact O-NE 3.47Å; A305-R309 HydrophobicContact CB-CG 4.13Å; A305-R309 VanDerWaalsContact CB-NE 3.31Å; G307-R309 PolarHBondContact O-N 3.04Å; R309-M311 PolarHBondContact O-N 2.86Å; R309-M311 VanDerWaalsContact O-N 3.15Å; R309-A312 HydrophobicContact CB-CB 3.98Å; R309-A312 VanDerWaalsContact O-CB 3.23Å; R309-A312 WeakPolarHBondContact O-CB 3.33Å; R309-A312 PolarHBondContact O-N 2.77Å
310	C	95.8	Very high	97.6	Very high	13 Å²	13	8.9 Å²	8.9	9%	0.088	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.6	170.9	59.7	0	0	0	0	112.1	A279 N281 N438	A279-C310 WeakPolarHBondContact CB-O 2.99Å; N281-C310 PolarHBondContact ND2-O 3.3Å; C310-N438 PolarHBondContact O-ND2 3.19Å
311	M	97.6	Very high	97.6	Very high	7 Å²	7	12.6 Å²	12.6	3%	0.034	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	11.3	174.1	-66.2	-64.4	-68.2	0	0	113.3	N281 R309 L313 N438 Q461 I468 P469 V470 F477	N281-M311 VanDerWaalsContact ND2-CA 3.32Å; N281-M311 WeakPolarHBondContact ND2-CA 3.48Å; R309-M311 PolarHBondContact O-N 2.86Å; R309-M311 VanDerWaalsContact O-N 3.15Å; M311-L313 PolarHBondContact O-N 3.18Å; M311-N438 PolarHBondContact SD-ND2 2.97Å; M311-N438 VanDerWaalsContact SD-ND2 3.43Å; M311-Q461 HydrophobicContact CE-CB 4.49Å; M311-Q461 PolarHBondContact SD-NE2 3.24Å; M311-I468 HydrophobicContact CB-CG2 4.04Å; M311-P469 HydrophobicContact CE-CG 3.79Å; M311-V470 HydrophobicContact CB-CG2 4.15Å; M311-V470 HydrophobicContact CE-CG2 4.39Å; M311-V470 HydrophobicContact CG-CG2 3.82Å; M311-F477 HydrophobicContact CG-CE2 3.82Å; M311-F477 HydrophobicContact CG-CZ 3.87Å; M311-F477 HydrophobicContact SD-CE2 4.03Å; M311-F477 HydrophobicContact SD-CZ 3.77Å
312	A	97.6	Very high	97.6	Very high	7 Å²	7	12.5 Å²	12.5	6%	0.058	7%	0.074	C	C	.	.			trans	-58.9	134.8	172.4	0	0	0	0	0	108.9	N281 A301 R309 S314	N281-A312 WeakPolarHBondContact CB-O 3.34Å; N281-A312 PolarHBondContact ND2-O 2.91Å; A301-A312 WeakPolarHBondContact O-CA 3.29Å; R309-A312 HydrophobicContact CB-CB 3.98Å; R309-A312 VanDerWaalsContact O-CB 3.23Å; R309-A312 WeakPolarHBondContact O-CB 3.33Å; R309-A312 PolarHBondContact O-N 2.77Å; A312-S314 PolarHBondContact O-N 3.27Å
313	L	97.5	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.			trans	-81	77.7	175.8	-161.9	96.9	0	0	0	108.8	L298 A301 M311 T315 L416 A441 P467	L298-L313 HydrophobicContact CD2-CD2 3.2Å; A301-L313 HydrophobicContact CB-CB 3.66Å; A301-L313 PolarHBondContact O-N 3.15Å; M311-L313 PolarHBondContact O-N 3.18Å; L313-T315 PolarHBondContact O-N 2.87Å; L313-L416 WeakPolarHBondContact O-CD1 3.42Å; L313-A441 HydrophobicContact CD1-CB 4.26Å; L313-P467 HydrophobicContact CD1-CB 4.41Å; L313-P467 WeakPolarHBondContact CD1-O 3.25Å
314	S	97.6	Very high	97.6	Very high	21 Å²	21	23.1 Å²	23.1	15%	0.147	11%	0.114	C	C	.	.			trans	-71.2	-15.5	-173	64.4	0	0	0	0	114.4	N281 A312 I417	N281-S314 PolarHBondContact O-N 3.28Å; N281-S314 PolarHBondContact O-OG 2.97Å; A312-S314 PolarHBondContact O-N 3.27Å; S314-I417 PolarHBondContact O-N 2.89Å
315	T	98.6	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	128.9	-175.9	-53.5	0	0	0	0	110.8	N281 H282 G283 L313 Y407 I417 L419	N281-T315 PolarHBondContact O-N 3.17Å; N281-T315 VanDerWaalsContact O-N 3.12Å; H282-T315 CarbonylContact C-O 3.53Å; H282-T315 VanDerWaalsContact CA-O 3.29Å; H282-T315 WeakPolarHBondContact CA-O 3.43Å; H282-T315 VanDerWaalsContact CD2-CG2 3.46Å; H282-T315 WeakPolarHBondContact CD2-CG2 3.35Å; G283-T315 PolarHBondContact N-O 2.9Å; L313-T315 PolarHBondContact O-N 2.87Å; T315-Y407 HydrophobicContact CG2-CE2 4.27Å; T315-I417 CarbonylContact C-O 3.59Å; T315-I417 VanDerWaalsContact CA-O 3.28Å; T315-I417 WeakPolarHBondContact CA-O 3.48Å; T315-I417 HydrophobicContact CG2-CB 4.47Å; T315-I417 HydrophobicContact CG2-CG2 4.18Å; T315-L419 HydrophobicContact CG2-CD1 3.47Å; T315-L419 VanDerWaalsContact CG2-CD1 3.47Å; T315-L419 HydrophobicContact CG2-CG 4.1Å
316	A	98.7	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.4	168.2	0	0	0	0	0	109.7	G283 L298 L416 I417 V418 L419	G283-A316 CarbonylContact O-C 3.57Å; G283-A316 WeakPolarHBondContact O-CA 3.45Å; L298-A316 HydrophobicContact CD2-CB 4.41Å; A316-L416 HydrophobicContact CB-CD1 4.14Å; A316-I417 PolarHBondContact N-O 2.98Å; A316-V418 WeakPolarHBondContact O-CA 3.43Å; A316-L419 PolarHBondContact O-N 3.26Å
317	I	98.8	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.8	171.8	-59.5	167	0	0	0	107.4	H282 G283 V284 V285 V319 L419 A421 A427 L430 V431	H282-I317 HydrophobicContact CB-CD1 4.15Å; G283-I317 PolarHBondContact O-N 3.37Å; V284-I317 HydrophobicContact CG2-CB 4.35Å; V284-I317 HydrophobicContact CG2-CD1 4.06Å; V285-I317 PolarHBondContact N-O 2.86Å; I317-V319 HydrophobicContact CG2-CG2 4.47Å; I317-L419 WeakPolarHBondContact CA-O 3.44Å; I317-L419 HydrophobicContact CD1-CD1 4.48Å; I317-L419 HydrophobicContact CG1-CB 4Å; I317-L419 HydrophobicContact CG1-CD1 3.93Å; I317-A421 HydrophobicContact CG2-CB 3.6Å; I317-A427 HydrophobicContact CG2-CB 3.89Å; I317-L430 HydrophobicContact CD1-CB 4.02Å; I317-L430 HydrophobicContact CD1-CD1 4.37Å; I317-L430 HydrophobicContact CG2-CD1 4.31Å; I317-V431 HydrophobicContact CD1-CG2 3.69Å
318	L	98.7	Very high	97.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.9	178.5	-55.6	-177.6	0	0	0	109.8	V285 A322 R323 L326 V418 L419 E420 A421	V285-L318 HydrophobicContact CB-CD2 3.85Å; V285-L318 HydrophobicContact CG1-CD2 4.33Å; V285-L318 HydrophobicContact CG2-CD2 3.91Å; L318-A322 HydrophobicContact CB-CB 4.45Å; L318-R323 HydrophobicContact CB-CG 4.01Å; L318-L326 HydrophobicContact CD1-CB 4.1Å; L318-V418 HydrophobicContact CD1-CG1 3.77Å; L318-V418 HydrophobicContact CG-CG1 3.96Å; L318-L419 PolarHBondContact N-O 3.38Å; L318-E420 WeakPolarHBondContact O-CA 2.94Å; L318-A421 PolarHBondContact O-N 3.27Å; L318-A421 VanDerWaalsContact O-N 3.1Å
319	V	98.8	Very high	97.9	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.8	-176.7	-175.6	0	0	0	0	110.4	V284 V285 M286 P287 I317 E321 A322 A421 A427	V284-V319 HydrophobicContact CG1-CG2 3.76Å; V285-V319 WeakPolarHBondContact O-CB 3.22Å; V285-V319 PolarHBondContact O-N 3.35Å; M286-V319 HydrophobicContact CE-CG1 4.13Å; M286-V319 HydrophobicContact SD-CB 4Å; M286-V319 HydrophobicContact SD-CG1 4.11Å; M286-V319 HydrophobicContact SD-CG2 3.85Å; P287-V319 WeakPolarHBondContact CD-O 3.29Å; P287-V319 WeakPolarHBondContact CG-O 3.46Å; I317-V319 HydrophobicContact CG2-CG2 4.47Å; V319-E321 PolarHBondContact O-N 3.12Å; V319-A322 WeakPolarHBondContact O-CB 3.46Å; V319-A322 PolarHBondContact O-N 3.39Å; V319-A322 VanDerWaalsContact O-N 3.1Å; V319-A421 WeakPolarHBondContact CA-O 3.23Å; V319-A421 HydrophobicContact CG2-CB 4.31Å; V319-A427 HydrophobicContact CG2-CB 4.06Å
320	G	97.5	Very high	98	Very high	28 Å²	28	31.5 Å²	31.5	29%	0.289	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	49.9	-120.5	175	0	0	0	0	0	113.4	A322 R323 A421	G320-A322 PolarHBondContact O-N 2.98Å; G320-R323 WeakPolarHBondContact O-CB 3.49Å; G320-R323 VanDerWaalsContact O-CD 3.24Å; G320-R323 WeakPolarHBondContact O-CD 3.45Å; G320-R323 WeakPolarHBondContact O-CG 3.28Å; G320-R323 PolarHBondContact O-N 3.26Å; G320-A421 PolarHBondContact N-O 2.93Å
321	E	97.3	Very high	98.1	Very high	120 Å²	120	36.2 Å²	36.2	56%	0.561	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-65.6	-19.1	-175.8	-59.5	-161.8	139.6	0	0	115.2	P287 V319 R323 R324	P287-E321 HydrophobicContact CB-CB 4.17Å; P287-E321 HydrophobicContact CG-CB 4.35Å; V319-E321 PolarHBondContact O-N 3.12Å; E321-R323 PolarHBondContact O-N 3.43Å; E321-R324 VanDerWaalsContact CG-NH2 3.34Å; E321-R324 WeakPolarHBondContact O-CB 3.2Å; E321-R324 PolarHBondContact O-N 3.19Å; E321-R324 IonicContact OE1-CZ 3.8Å; E321-R324 IonicContact OE1-NH2 3.9Å; E321-R324 PolarHBondContact OE1-NH2 3.43Å; E321-R324 IonicContact OE2-NH2 3.11Å; E321-R324 PolarHBondContact OE2-NH2 2.97Å
322	A	97.8	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.8	-19.7	178.2	0	0	0	0	0	112.8	V285 L318 V319 G320 R324 W325	V285-A322 HydrophobicContact CB-CB 4.5Å; V285-A322 HydrophobicContact CG1-CB 3.98Å; L318-A322 HydrophobicContact CB-CB 4.45Å; V319-A322 WeakPolarHBondContact O-CB 3.46Å; V319-A322 PolarHBondContact O-N 3.39Å; V319-A322 VanDerWaalsContact O-N 3.1Å; G320-A322 PolarHBondContact O-N 2.98Å; A322-R324 PolarHBondContact O-N 3.47Å; A322-R324 VanDerWaalsContact O-N 3.15Å; A322-W325 HydrophobicContact CB-CD2 4.25Å; A322-W325 HydrophobicContact CB-CE3 4.15Å; A322-W325 HydrophobicContact CB-CH2 4.38Å; A322-W325 HydrophobicContact CB-CZ2 4.48Å; A322-W325 HydrophobicContact CB-CZ3 4.23Å; A322-W325 WeakPolarHBondContact O-CB 3.23Å; A322-W325 PolarHBondContact O-N 3.46Å
323	R	97.6	Very high	98.2	Very high	67 Å²	67	37.9 Å²	37.9	25%	0.253	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-54	-32.4	174	-64.1	168.4	-170.9	-165.3	17.2	112.4	L318 G320 E321 W325 L326 E420 A421 D422	L318-R323 HydrophobicContact CB-CG 4.01Å; G320-R323 WeakPolarHBondContact O-CB 3.49Å; G320-R323 VanDerWaalsContact O-CD 3.24Å; G320-R323 WeakPolarHBondContact O-CD 3.45Å; G320-R323 WeakPolarHBondContact O-CG 3.28Å; G320-R323 PolarHBondContact O-N 3.26Å; E321-R323 PolarHBondContact O-N 3.43Å; R323-W325 PolarHBondContact O-N 2.94Å; R323-W325 VanDerWaalsContact O-N 3.12Å; R323-L326 WeakPolarHBondContact O-CB 3.38Å; R323-L326 PolarHBondContact O-N 3.42Å; R323-E420 VanDerWaalsContact CD-OE2 3.22Å; R323-E420 WeakPolarHBondContact CD-OE2 3.45Å; R323-E420 HydrophobicContact CG-CB 4.34Å; R323-E420 HydrophobicContact CG-CG 3.94Å; R323-E420 IonicContact CZ-OE2 2.78Å; R323-E420 IonicContact NE-OE2 2.69Å; R323-E420 PolarHBondContact NE-OE2 2.75Å; R323-E420 IonicContact NH1-OE2 3.27Å; R323-E420 PolarHBondContact NH1-OE2 2.97Å; R323-A421 PolarHBondContact NH2-O 2.76Å; R323-D422 IonicContact CZ-OD1 3.25Å; R323-D422 IonicContact NH1-OD1 3.42Å; R323-D422 IonicContact NH2-OD1 3.52Å; R323-D422 PolarHBondContact NH2-OD1 3.27Å
324	R	97.9	Very high	98.3	Very high	159 Å²	159	44 Å²	44	60%	0.6	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-65.5	-12.5	178.8	-64.7	-174.3	-77.9	-166.6	-2.4	113.6	E321 A322	E321-R324 VanDerWaalsContact CG-NH2 3.34Å; E321-R324 WeakPolarHBondContact O-CB 3.2Å; E321-R324 PolarHBondContact O-N 3.19Å; E321-R324 IonicContact OE1-CZ 3.8Å; E321-R324 IonicContact OE1-NH2 3.9Å; E321-R324 PolarHBondContact OE1-NH2 3.43Å; E321-R324 IonicContact OE2-NH2 3.11Å; E321-R324 PolarHBondContact OE2-NH2 2.97Å; A322-R324 PolarHBondContact O-N 3.47Å; A322-R324 VanDerWaalsContact O-N 3.15Å
325	W	98.1	Very high	98.3	Very high	29 Å²	29	46.6 Å²	46.6	11%	0.11	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-87.1	-8.3	-178.2	-52.4	-11.4	0	0	0	113.3	V285 A289 K291 L295 A322 R323 E328 L329	V285-W325 HydrophobicContact CG1-CE3 3.82Å; V285-W325 HydrophobicContact CG1-CH2 4.34Å; V285-W325 HydrophobicContact CG1-CZ3 3.38Å; A289-W325 HydrophobicContact CB-CH2 4.04Å; A289-W325 HydrophobicContact CB-CZ3 4.15Å; K291-W325 HydrophobicContact CB-CD2 4.31Å; K291-W325 HydrophobicContact CB-CE3 4.31Å; K291-W325 HydrophobicContact CB-CH2 4.04Å; K291-W325 HydrophobicContact CB-CZ2 4.02Å; K291-W325 HydrophobicContact CB-CZ3 4.17Å; K291-W325 HydrophobicContact CD-CD2 4.09Å; K291-W325 HydrophobicContact CD-CG 4.09Å; K291-W325 VanDerWaalsContact CE-CD1 3.49Å; K291-W325 HydrophobicContact CG-CD2 3.7Å; K291-W325 HydrophobicContact CG-CE3 3.94Å; K291-W325 HydrophobicContact CG-CG 4.05Å; K291-W325 HydrophobicContact CG-CH2 4.47Å; K291-W325 HydrophobicContact CG-CZ2 4.26Å; K291-W325 HydrophobicContact CG-CZ3 4.31Å; L295-W325 HydrophobicContact CD1-CB 4.48Å; L295-W325 HydrophobicContact CD2-CB 4.19Å; A322-W325 HydrophobicContact CB-CD2 4.25Å; A322-W325 HydrophobicContact CB-CE3 4.15Å; A322-W325 HydrophobicContact CB-CH2 4.38Å; A322-W325 HydrophobicContact CB-CZ2 4.48Å; A322-W325 HydrophobicContact CB-CZ3 4.23Å; A322-W325 WeakPolarHBondContact O-CB 3.23Å; A322-W325 PolarHBondContact O-N 3.46Å; R323-W325 PolarHBondContact O-N 2.94Å; R323-W325 VanDerWaalsContact O-N 3.12Å; W325-E328 PolarHBondContact O-N 3.02Å; W325-E328 VanDerWaalsContact O-N 3.15Å; W325-L329 PolarHBondContact O-N 2.84Å
326	L	98.1	Very high	98.3	Very high	24 Å²	24	48.4 Å²	48.4	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-41.7	-176.4	-177.6	54.7	0	0	0	114.1	L318 R323 E328 L329 V330 L375 I396 V418	L318-L326 HydrophobicContact CD1-CB 4.1Å; R323-L326 WeakPolarHBondContact O-CB 3.38Å; R323-L326 PolarHBondContact O-N 3.42Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.02Å; L326-L329 HydrophobicContact CD1-CD2 4.4Å; L326-L329 WeakPolarHBondContact O-CB 3.3Å; L326-L329 PolarHBondContact O-N 2.83Å; L326-V330 HydrophobicContact CD1-CG2 4.43Å; L326-V330 WeakPolarHBondContact O-CG2 3.33Å; L326-V330 PolarHBondContact O-N 3.42Å; L326-L375 HydrophobicContact CD1-CD1 3.9Å; L326-L375 HydrophobicContact CD2-CD1 3.57Å; L326-L375 HydrophobicContact CG-CD1 3.86Å; L326-I396 HydrophobicContact CD1-CG2 4.34Å; L326-V418 HydrophobicContact CD1-CB 4.36Å; L326-V418 HydrophobicContact CD1-CG1 4.14Å; L326-V418 HydrophobicContact CD1-CG2 3.86Å; L326-V418 HydrophobicContact CD2-CG1 4.38Å
327	P	98.4	Very high	98.3	Very high	87 Å²	87	54.6 Å²	54.6	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-59.9	-41.2	175.8	-25.4	36.3	0	0	0	113.3	V330 E331	P327-V330 WeakPolarHBondContact O-CB 3.35Å; P327-V330 PolarHBondContact O-N 3.15Å; P327-E331 PolarHBondContact O-N 3.16Å
328	E	98.5	Very high	98.2	Very high	75 Å²	75	55.9 Å²	55.9	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-71.4	-31.6	178.9	-72.9	164.7	-99	0	0	112.5	K291 L295 W325 L326 V330 R332	K291-E328 VanDerWaalsContact CE-OE1 3.28Å; K291-E328 WeakPolarHBondContact CE-OE1 3.34Å; K291-E328 VanDerWaalsContact CE-OE2 3.25Å; K291-E328 WeakPolarHBondContact CE-OE2 3.11Å; K291-E328 IonicContact NZ-OE1 3.87Å; K291-E328 PolarHBondContact NZ-OE1 3.09Å; K291-E328 IonicContact NZ-OE2 3.69Å; K291-E328 PolarHBondContact NZ-OE2 2.72Å; L295-E328 HydrophobicContact CD1-CB 3.82Å; W325-E328 PolarHBondContact O-N 3.02Å; W325-E328 VanDerWaalsContact O-N 3.15Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.02Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-R332 WeakPolarHBondContact O-CG 3.35Å; E328-R332 PolarHBondContact O-N 3.39Å; E328-R332 VanDerWaalsContact O-N 3.13Å
329	L	98.6	Very high	98.2	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-43.3	170.2	-176.1	55.3	0	0	0	111.1	L295 L298 V299 W325 L326 R332 A333 I396 L416	L295-L329 HydrophobicContact CD2-CB 3.82Å; L295-L329 HydrophobicContact CD2-CD1 4.07Å; L295-L329 HydrophobicContact CD2-CG 4.38Å; L298-L329 HydrophobicContact CB-CD1 3.96Å; L298-L329 HydrophobicContact CD1-CD1 4.25Å; L298-L329 HydrophobicContact CD1-CD2 4.16Å; V299-L329 HydrophobicContact CG2-CD1 3.78Å; W325-L329 PolarHBondContact O-N 2.84Å; L326-L329 HydrophobicContact CD1-CD2 4.4Å; L326-L329 WeakPolarHBondContact O-CB 3.3Å; L326-L329 PolarHBondContact O-N 2.83Å; L329-R332 PolarHBondContact O-N 3.3Å; L329-A333 PolarHBondContact O-N 2.84Å; L329-I396 HydrophobicContact CG-CD1 4.26Å; L329-L416 HydrophobicContact CD2-CD2 3.79Å; L329-L416 HydrophobicContact CG-CD2 4.4Å
330	V	98.8	Very high	98.2	Very high	17 Å²	17	57 Å²	57	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-46.8	177.6	171.1	0	0	0	0	111.4	L326 P327 E328 R332 A333 K334 L375 L376 I396	L326-V330 HydrophobicContact CD1-CG2 4.43Å; L326-V330 WeakPolarHBondContact O-CG2 3.33Å; L326-V330 PolarHBondContact O-N 3.42Å; P327-V330 WeakPolarHBondContact O-CB 3.35Å; P327-V330 PolarHBondContact O-N 3.15Å; E328-V330 VanDerWaalsContact C-N 3.31Å; V330-R332 VanDerWaalsContact C-N 3.32Å; V330-R332 PolarHBondContact O-N 3.05Å; V330-A333 PolarHBondContact O-N 3.41Å; V330-K334 WeakPolarHBondContact O-CB 3.31Å; V330-K334 PolarHBondContact O-N 3.01Å; V330-L375 HydrophobicContact CG2-CB 4.01Å; V330-L376 HydrophobicContact CG1-CB 4.26Å; V330-I396 HydrophobicContact CB-CD1 4.38Å; V330-I396 HydrophobicContact CG2-CB 4.43Å; V330-I396 HydrophobicContact CG2-CD1 3.84Å; V330-I396 HydrophobicContact CG2-CG2 4.31Å
331	E	98.6	Very high	98.2	Very high	113 Å²	113	56 Å²	56	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-38.8	178.9	-71.5	-55.1	126.3	0	0	112.5	P327 K334 A335	P327-E331 PolarHBondContact O-N 3.16Å; E331-K334 PolarHBondContact O-N 3.23Å; E331-A335 PolarHBondContact O-N 2.88Å
332	R	98.5	Very high	98.2	Very high	48 Å²	48	54.2 Å²	54.2	18%	0.181	26%	0.263	C	S	.	.	H	α-helix	trans	-67.7	-42.3	175.5	-68.6	177.1	-164.7	-149.2	3.5	112.7	E292 N296 V299 E328 L329 V330 K334 A335	E292-R332 PolarHBondContact O-NH1 3.47Å; E292-R332 IonicContact OE1-NH2 3.47Å; E292-R332 PolarHBondContact OE1-NH2 3.4Å; E292-R332 VanDerWaalsContact OE1-NH2 3.12Å; E292-R332 IonicContact OE2-CZ 2.66Å; E292-R332 IonicContact OE2-NH1 3Å; E292-R332 IonicContact OE2-NH2 3.9Å; E292-R332 PolarHBondContact OE2-NH2 3.22Å; N296-R332 PolarHBondContact ND2-NH1 3.36Å; N296-R332 PolarHBondContact OD1-NH1 2.89Å; V299-R332 HydrophobicContact CG2-CB 3.85Å; E328-R332 WeakPolarHBondContact O-CG 3.35Å; E328-R332 PolarHBondContact O-N 3.39Å; E328-R332 VanDerWaalsContact O-N 3.13Å; L329-R332 PolarHBondContact O-N 3.3Å; V330-R332 VanDerWaalsContact C-N 3.32Å; V330-R332 PolarHBondContact O-N 3.05Å; R332-K334 VanDerWaalsContact C-N 3.3Å; R332-K334 PolarHBondContact O-N 3.06Å; R332-A335 PolarHBondContact O-N 2.83Å
333	A	98.6	Very high	98.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-38.8	176.9	0	0	0	0	0	111.7	F303 L329 V330 A335 L336 L376 P394 I396	F303-A333 HydrophobicContact CD2-CB 4.34Å; F303-A333 HydrophobicContact CE2-CB 3.56Å; F303-A333 HydrophobicContact CZ-CB 3.97Å; L329-A333 PolarHBondContact O-N 2.84Å; V330-A333 PolarHBondContact O-N 3.41Å; A333-A335 PolarHBondContact O-N 3.31Å; A333-L336 WeakPolarHBondContact O-CB 3.43Å; A333-L336 WeakPolarHBondContact O-CG 3.35Å; A333-L336 PolarHBondContact O-N 2.84Å; A333-L376 HydrophobicContact CB-CD2 3.84Å; A333-P394 HydrophobicContact CB-CB 4.27Å; A333-P394 WeakPolarHBondContact O-CG 3.23Å; A333-I396 HydrophobicContact CB-CD1 3.66Å; A333-I396 HydrophobicContact CB-CG1 4.43Å
334	K	98.3	Very high	98.1	Very high	128 Å²	128	59.2 Å²	59.2	56%	0.557	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-27.3	176.9	-173.4	-178.2	179.1	-174.4	0	113.2	V330 E331 R332 L336 L376	V330-K334 WeakPolarHBondContact O-CB 3.31Å; V330-K334 PolarHBondContact O-N 3.01Å; E331-K334 PolarHBondContact O-N 3.23Å; R332-K334 VanDerWaalsContact C-N 3.3Å; R332-K334 PolarHBondContact O-N 3.06Å; K334-L336 VanDerWaalsContact C-N 3.28Å; K334-L336 PolarHBondContact O-N 2.77Å; K334-L376 HydrophobicContact CB-CD1 4.2Å; K334-L376 HydrophobicContact CB-CD2 4.38Å; K334-L376 HydrophobicContact CG-CD1 4.25Å
335	A	98.2	Very high	97.9	Very high	77 Å²	77	53.8 Å²	53.8	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.8	178.7	0	0	0	0	0	113.9	E331 R332 A333	E331-A335 PolarHBondContact O-N 2.88Å; R332-A335 PolarHBondContact O-N 2.83Å; A333-A335 PolarHBondContact O-N 3.31Å
336	L	98.4	Very high	97.9	Very high	37 Å²	37	53 Å²	53	19%	0.194	29%	0.291	C	S	.	.			trans	-66.5	137.1	179.5	-63.3	176.9	0	0	0	111.8	V299 F303 A333 K334 D347 V348 P394	V299-L336 HydrophobicContact CG1-CD1 3.69Å; V299-L336 HydrophobicContact CG1-CD2 3.84Å; V299-L336 HydrophobicContact CG1-CG 3.97Å; F303-L336 HydrophobicContact CB-CD1 3.61Å; F303-L336 HydrophobicContact CD2-CD1 3.65Å; F303-L336 HydrophobicContact CG-CD1 3.83Å; A333-L336 WeakPolarHBondContact O-CB 3.43Å; A333-L336 WeakPolarHBondContact O-CG 3.35Å; A333-L336 PolarHBondContact O-N 2.84Å; K334-L336 VanDerWaalsContact C-N 3.28Å; K334-L336 PolarHBondContact O-N 2.77Å; L336-D347 HydrophobicContact CB-CB 4.13Å; L336-D347 HydrophobicContact CD2-CB 3.87Å; L336-V348 HydrophobicContact CB-CG2 4.27Å; L336-V348 HydrophobicContact CD1-CG2 4.03Å; L336-P394 HydrophobicContact CB-CG 3.89Å; L336-P394 HydrophobicContact CD1-CB 4.35Å; L336-P394 HydrophobicContact CD1-CG 3.78Å; L336-P394 HydrophobicContact CG-CG 4.39Å
337	R	98.2	Very high	97.9	Very high	131 Å²	131	55.2 Å²	55.2	49%	0.494	30%	0.303	S	S	.	.			trans	-89.7	109.3	-179.7	-63.3	179.1	63.4	-148.1	-5.3	110.6	P344 G345 D347 V348	R337-P344 PolarHBondContact NH1-O 3.35Å; R337-P344 PolarHBondContact NH2-O 2.95Å; R337-G345 WeakPolarHBondContact CD-O 3.23Å; R337-G345 PolarHBondContact NH1-O 3.21Å; R337-D347 WeakPolarHBondContact CB-OD2 3.24Å; R337-D347 PolarHBondContact N-OD2 2.83Å; R337-D347 PolarHBondContact O-N 3.47Å; R337-V348 PolarHBondContact O-N 2.86Å
338	V	98.6	Very high	97.9	Very high	27 Å²	27	51.1 Å²	51.1	16%	0.164	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-82	119.6	171.7	-172.9	0	0	0	0	109.2	V348 V381 V383 F391	V338-V348 WeakPolarHBondContact CA-O 3.4Å; V338-V348 HydrophobicContact CG2-CB 4.28Å; V338-V381 HydrophobicContact CB-CG2 4.12Å; V338-V381 HydrophobicContact CG1-CG1 4.3Å; V338-V381 HydrophobicContact CG1-CG2 4.24Å; V338-V381 HydrophobicContact CG2-CG2 4.27Å; V338-V383 HydrophobicContact CG1-CG2 3.99Å; V338-F391 HydrophobicContact CG1-CB 4.25Å; V338-F391 HydrophobicContact CG1-CD1 3.7Å; V338-F391 HydrophobicContact CG1-CG 4.31Å
339	N	98.4	Very high	97.9	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.16	26%	0.261	C	S	.	.			trans	-160.6	172	176.8	-154.2	-8.8	0	0	0	110.9	Q343 A346 V348 G349 V383 F391	N339-Q343 HydrophobicContact CB-CB 4.41Å; N339-Q343 WeakPolarHBondContact ND2-CB 3.19Å; N339-A346 HydrophobicContact CB-CB 3.93Å; N339-V348 PolarHBondContact N-O 3.3Å; N339-V348 VanDerWaalsContact N-O 3.1Å; N339-V348 VanDerWaalsContact O-O 3.13Å; N339-G349 WeakPolarHBondContact O-CA 3.23Å; N339-V383 HydrophobicContact CB-CG1 4.44Å; N339-V383 WeakPolarHBondContact OD1-CG1 3.49Å; N339-F391 WeakPolarHBondContact O-CE1 3.36Å
340	A	98.3	Very high	97.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.			trans	-57.6	140.6	170.5	0	0	0	0	0	110.8	A56 D342 Q343 A346 Y386 F391	A56-A340 HydrophobicContact CB-CB 3.64Å; A340-D342 WeakPolarHBondContact CB-OD1 3.34Å; A340-D342 PolarHBondContact O-N 3.1Å; A340-D342 VanDerWaalsContact O-N 3.15Å; A340-Q343 HydrophobicContact CB-CG 3.96Å; A340-Q343 WeakPolarHBondContact O-CB 3.37Å; A340-Q343 PolarHBondContact O-N 3.06Å; A340-A346 WeakPolarHBondContact O-CB 3.43Å; A340-Y386 HydrophobicContact CB-CD1 3.96Å; A340-Y386 HydrophobicContact CB-CD2 4.19Å; A340-Y386 HydrophobicContact CB-CE1 3.56Å; A340-Y386 HydrophobicContact CB-CE2 3.82Å; A340-Y386 HydrophobicContact CB-CG 4.26Å; A340-Y386 VanDerWaalsContact CB-CZ 3.48Å; A340-F391 HydrophobicContact CB-CZ 4.44Å
341	G	97.4	Very high	97.9	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.2	-169.1	0	0	0	0	0	115.2	T117 T123 L124 Q343	T117-G341 VanDerWaalsContact CG2-C 3.49Å; T123-G341 VanDerWaalsContact CA-O 3.31Å; T123-G341 WeakPolarHBondContact CA-O 3.4Å; L124-G341 PolarHBondContact N-O 3Å; L124-G341 VanDerWaalsContact N-O 3.12Å; G341-Q343 VanDerWaalsContact C-N 3.35Å
342	D	96.6	Very high	97.9	Very high	83 Å²	83	41.9 Å²	41.9	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.9	174.4	67.3	-17.1	0	0	0	112.9	T117 A340	T117-D342 HydrophobicContact CG2-CB 4.03Å; A340-D342 WeakPolarHBondContact CB-OD1 3.34Å; A340-D342 PolarHBondContact O-N 3.1Å; A340-D342 VanDerWaalsContact O-N 3.15Å
343	Q	97.9	Very high	97.9	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	23%	0.228	S	C	.	.	S	Bend	trans	-81.6	139.1	-178.2	-61	-56	-58	0	0	112	N339 A340 G341 G345 A346 Y386	N339-Q343 HydrophobicContact CB-CB 4.41Å; N339-Q343 WeakPolarHBondContact ND2-CB 3.19Å; A340-Q343 HydrophobicContact CB-CG 3.96Å; A340-Q343 WeakPolarHBondContact O-CB 3.37Å; A340-Q343 PolarHBondContact O-N 3.06Å; G341-Q343 VanDerWaalsContact C-N 3.35Å; Q343-G345 PolarHBondContact O-N 2.89Å; Q343-A346 WeakPolarHBondContact O-CB 3.4Å; Q343-A346 PolarHBondContact O-N 3.15Å; Q343-Y386 HydrophobicContact CG-CE2 4.15Å; Q343-Y386 PolarHBondContact NE2-OH 2.85Å
344	P	95.3	Very high	97.8	Very high	106 Å²	106	41.9 Å²	41.9	69%	0.688	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	124.8	179	-26.5	34.6	0	0	0	114.5	R337 A346	R337-P344 PolarHBondContact NH1-O 3.35Å; R337-P344 PolarHBondContact NH2-O 2.95Å; P344-A346 VanDerWaalsContact C-N 3.32Å; P344-A346 PolarHBondContact O-N 3.17Å
345	G	93.9	Very high	97.8	Very high	45 Å²	45	41.8 Å²	41.8	46%	0.464	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	25	177.5	0	0	0	0	0	114.4	R337 Q343	R337-G345 WeakPolarHBondContact CD-O 3.23Å; R337-G345 PolarHBondContact NH1-O 3.21Å; Q343-G345 PolarHBondContact O-N 2.89Å
346	A	97.5	Very high	97.9	Very high	12 Å²	12	39.2 Å²	39.2	10%	0.099	22%	0.22	C	C	.	.			trans	-66	130.9	161.4	0	0	0	0	0	109.5	T123 N339 A340 Q343 P344	T123-A346 HydrophobicContact CG2-CB 4.21Å; T123-A346 VanDerWaalsContact CG2-O 3.22Å; T123-A346 WeakPolarHBondContact CG2-O 3.35Å; N339-A346 HydrophobicContact CB-CB 3.93Å; A340-A346 WeakPolarHBondContact O-CB 3.43Å; Q343-A346 WeakPolarHBondContact O-CB 3.4Å; Q343-A346 PolarHBondContact O-N 3.15Å; P344-A346 VanDerWaalsContact C-N 3.32Å; P344-A346 PolarHBondContact O-N 3.17Å
347	D	98.1	Very high	97.9	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	23%	0.225	S	C	.	.	S	Bend	trans	-98.9	-34.4	173.8	-59.8	-56.7	0	0	0	111.3	L336 R337	L336-D347 HydrophobicContact CB-CB 4.13Å; L336-D347 HydrophobicContact CD2-CB 3.87Å; R337-D347 WeakPolarHBondContact CB-OD2 3.24Å; R337-D347 PolarHBondContact N-OD2 2.83Å; R337-D347 PolarHBondContact O-N 3.47Å
348	V	98.5	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-129.5	115.6	-176.5	-176.4	0	0	0	0	109.8	F303 A306 L336 R337 V338 N339 P394 P414	F303-V348 HydrophobicContact CB-CG2 4.16Å; A306-V348 HydrophobicContact CB-CG1 3.95Å; L336-V348 HydrophobicContact CB-CG2 4.27Å; L336-V348 HydrophobicContact CD1-CG2 4.03Å; R337-V348 PolarHBondContact O-N 2.86Å; V338-V348 WeakPolarHBondContact CA-O 3.4Å; V338-V348 HydrophobicContact CG2-CB 4.28Å; N339-V348 PolarHBondContact N-O 3.3Å; N339-V348 VanDerWaalsContact N-O 3.1Å; N339-V348 VanDerWaalsContact O-O 3.13Å; V348-P394 HydrophobicContact CG2-CG 4.34Å; V348-P414 HydrophobicContact CG1-CB 4.22Å; V348-P414 HydrophobicContact CG1-CG 4.48Å
349	G	98.4	Very high	97.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	24%	0.236	C	C	.	.			trans	-80.5	-179.1	174.7	0	0	0	0	0	113.8	A306 N339	A306-G349 WeakPolarHBondContact CB-O 3.42Å; N339-G349 WeakPolarHBondContact O-CA 3.23Å
350	P	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.			trans	-71.5	162.9	172.5	32.9	-37.7	0	0	0	112.4	P55 A56 G121 Q308 N390 F391	P55-P350 HydrophobicContact CB-CB 4.19Å; P55-P350 HydrophobicContact CB-CG 3.86Å; P55-P350 HydrophobicContact CG-CG 3.93Å; P55-P350 WeakPolarHBondContact O-CB 3.22Å; A56-P350 HydrophobicContact CB-CG 4.12Å; G121-P350 WeakPolarHBondContact O-CD 3.37Å; Q308-P350 PolarHBondContact NE2-O 2.86Å; P350-N390 HydrophobicContact CB-CB 4.26Å; P350-F391 HydrophobicContact CB-CD1 3.92Å; P350-F391 HydrophobicContact CB-CE1 3.75Å; P350-F391 HydrophobicContact CB-CE2 4.49Å; P350-F391 HydrophobicContact CB-CG 4.39Å; P350-F391 HydrophobicContact CB-CZ 4.06Å; P350-F391 HydrophobicContact CG-CE1 4.11Å; P350-F391 HydrophobicContact CG-CZ 4.32Å
351	L	98.8	Very high	97.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.238	C	C	.	.			trans	-75.6	156.3	165	-64.8	172.3	0	0	0	110.7	P55 A306 Q308 S353 A356 R357 V360 N390 V392	P55-L351 VanDerWaalsContact CB-O 3.26Å; P55-L351 WeakPolarHBondContact CB-O 3.3Å; A306-L351 HydrophobicContact CB-CD2 4.15Å; Q308-L351 HydrophobicContact CG-CD2 3.64Å; L351-S353 PolarHBondContact O-N 2.84Å; L351-S353 VanDerWaalsContact O-N 3.12Å; L351-A356 HydrophobicContact CB-CB 4.3Å; L351-R357 HydrophobicContact CD1-CB 4.19Å; L351-V360 HydrophobicContact CD1-CB 4.02Å; L351-V360 HydrophobicContact CD1-CG1 4.41Å; L351-V360 HydrophobicContact CD1-CG2 3.79Å; L351-N390 HydrophobicContact CB-CB 4.36Å; L351-N390 WeakPolarHBondContact CB-O 3.36Å; L351-N390 PolarHBondContact N-O 3.42Å; L351-N390 WeakPolarHBondContact O-CB 3.36Å; L351-V392 HydrophobicContact CD1-CB 4.18Å; L351-V392 HydrophobicContact CD1-CG2 3.6Å
352	I	98.6	Very high	98	Very high	10 Å²	10	46 Å²	46	5%	0.051	26%	0.256	C	S	.	.	S	Bend	trans	-60.7	-27.8	-171.1	-171.5	61.5	0	0	0	114.8	E119 Q120 F178 R206 V207 A356	E119-I352 WeakPolarHBondContact O-CD1 3.24Å; Q120-I352 HydrophobicContact CG-CD1 4.36Å; F178-I352 HydrophobicContact CB-CG1 4.37Å; F178-I352 HydrophobicContact CD2-CB 3.7Å; F178-I352 HydrophobicContact CD2-CD1 3.93Å; F178-I352 HydrophobicContact CD2-CG1 3.55Å; F178-I352 HydrophobicContact CD2-CG2 3.99Å; F178-I352 HydrophobicContact CE1-CG2 4.14Å; F178-I352 HydrophobicContact CE2-CB 3.56Å; F178-I352 HydrophobicContact CE2-CG1 3.98Å; F178-I352 HydrophobicContact CE2-CG2 3.55Å; F178-I352 HydrophobicContact CG-CB 4.44Å; F178-I352 HydrophobicContact CG-CD1 4.49Å; F178-I352 HydrophobicContact CG-CG1 3.96Å; F178-I352 HydrophobicContact CG-CG2 4.47Å; F178-I352 HydrophobicContact CZ-CB 4.17Å; F178-I352 HydrophobicContact CZ-CG2 3.61Å; R206-I352 HydrophobicContact CB-CD1 4.25Å; R206-I352 HydrophobicContact CB-CG1 4.25Å; V207-I352 HydrophobicContact CG1-CD1 3.99Å; I352-A356 HydrophobicContact CG2-CB 3.85Å
353	S	98.4	Very high	98.1	Very high	11 Å²	11	42.1 Å²	42.1	8%	0.077	24%	0.235	C	C	.	.	S	Bend	trans	-155.8	163.8	-177.6	84.4	0	0	0	0	112.8	L351 Q355 A356 R357 N390	L351-S353 PolarHBondContact O-N 2.84Å; L351-S353 VanDerWaalsContact O-N 3.12Å; S353-Q355 PolarHBondContact O-N 3.23Å; S353-Q355 PolarHBondContact OG-N 3.13Å; S353-Q355 PolarHBondContact OG-OE1 3.14Å; S353-A356 WeakPolarHBondContact O-CB 3.36Å; S353-A356 PolarHBondContact O-N 2.77Å; S353-A356 VanDerWaalsContact O-N 3.1Å; S353-A356 PolarHBondContact OG-N 2.86Å; S353-R357 PolarHBondContact O-N 3.35Å; S353-N390 WeakPolarHBondContact CA-ND2 3.38Å
354	P	98.1	Very high	98.1	Very high	38 Å²	38	39 Å²	39	25%	0.247	22%	0.22	C	C	.	.	H	α-helix	trans	-56.7	-39.2	173.7	-25.5	33.9	0	0	0	112.3	A356 R357 D358 N390	P354-A356 VanDerWaalsContact C-N 3.33Å; P354-A356 PolarHBondContact O-N 3.33Å; P354-R357 WeakPolarHBondContact O-CB 3.42Å; P354-R357 PolarHBondContact O-N 2.94Å; P354-D358 PolarHBondContact O-N 3.09Å; P354-N390 WeakPolarHBondContact CA-OD1 3.45Å; P354-N390 WeakPolarHBondContact CD-OD1 3.24Å; P354-N390 WeakPolarHBondContact CG-OD1 3.43Å
355	Q	98.4	Very high	98.3	Very high	126 Å²	126	37.2 Å²	37.2	59%	0.589	20%	0.203	S	C	*	.	H	α-helix	trans	-66.6	-35.1	178.5	-56.7	77	17.6	0	0	111.9	S353 R359	S353-Q355 PolarHBondContact O-N 3.23Å; S353-Q355 PolarHBondContact OG-N 3.13Å; S353-Q355 PolarHBondContact OG-OE1 3.14Å; Q355-R359 VanDerWaalsContact O-CB 3.28Å; Q355-R359 WeakPolarHBondContact O-CB 3.37Å; Q355-R359 PolarHBondContact O-N 2.94Å
356	A	98.5	Very high	98.5	Very high	22 Å²	22	35.7 Å²	35.7	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-44.3	173.8	0	0	0	0	0	110.8	L351 I352 S353 P354 R359 V360	L351-A356 HydrophobicContact CB-CB 4.3Å; I352-A356 HydrophobicContact CG2-CB 3.85Å; S353-A356 WeakPolarHBondContact O-CB 3.36Å; S353-A356 PolarHBondContact O-N 2.77Å; S353-A356 VanDerWaalsContact O-N 3.1Å; S353-A356 PolarHBondContact OG-N 2.86Å; P354-A356 VanDerWaalsContact C-N 3.33Å; P354-A356 PolarHBondContact O-N 3.33Å; A356-R359 PolarHBondContact O-N 3.42Å; A356-V360 VanDerWaalsContact O-CG2 3.31Å; A356-V360 WeakPolarHBondContact O-CG2 3.38Å; A356-V360 PolarHBondContact O-N 2.88Å
357	R	98.4	Very high	98.6	Very high	79 Å²	79	35.1 Å²	35.1	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-56.9	-51.4	173.6	-176.2	-158.4	66.7	-167.6	-1.3	111.7	L351 S353 P354 R359 V360 C361 N390 V392	L351-R357 HydrophobicContact CD1-CB 4.19Å; S353-R357 PolarHBondContact O-N 3.35Å; P354-R357 WeakPolarHBondContact O-CB 3.42Å; P354-R357 PolarHBondContact O-N 2.94Å; R357-R359 VanDerWaalsContact C-N 3.34Å; R357-R359 PolarHBondContact O-N 2.92Å; R357-V360 PolarHBondContact O-N 3.44Å; R357-C361 PolarHBondContact O-N 3.44Å; R357-C361 PolarHBondContact O-SG 2.92Å; R357-N390 HydrophobicContact CB-CB 4.47Å; R357-V392 HydrophobicContact CG-CG2 3.72Å
358	D	98.6	Very high	98.6	Very high	82 Å²	82	34.2 Å²	34.2	44%	0.439	18%	0.178	S	C	.	.	H	α-helix	trans	-64.4	-39.8	-177.6	-62.7	-13.2	0	0	0	111.3	P354 C361 S362	P354-D358 PolarHBondContact O-N 3.09Å; D358-C361 PolarHBondContact O-N 3.14Å; D358-S362 WeakPolarHBondContact O-CB 3.31Å; D358-S362 PolarHBondContact O-N 3.03Å
359	R	98.6	Very high	98.6	Very high	119 Å²	119	39.7 Å²	39.7	45%	0.449	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-47.9	173.1	178.3	175.8	168.6	76.5	8	111.5	Q355 A356 R357 S362 L363 E409	Q355-R359 VanDerWaalsContact O-CB 3.28Å; Q355-R359 WeakPolarHBondContact O-CB 3.37Å; Q355-R359 PolarHBondContact O-N 2.94Å; A356-R359 PolarHBondContact O-N 3.42Å; R357-R359 VanDerWaalsContact C-N 3.34Å; R357-R359 PolarHBondContact O-N 2.92Å; R359-S362 PolarHBondContact O-N 3.07Å; R359-S362 PolarHBondContact O-OG 3.33Å; R359-L363 HydrophobicContact CG-CD1 4.24Å; R359-L363 PolarHBondContact O-N 3.42Å; R359-E409 IonicContact CZ-OE2 3.34Å; R359-E409 IonicContact NH1-OE2 2.87Å; R359-E409 PolarHBondContact NH1-OE2 3.34Å; R359-E409 IonicContact NH2-OE2 2.67Å; R359-E409 PolarHBondContact NH2-OE2 3.46Å
360	V	98.8	Very high	98.6	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-48.9	177.8	168.9	0	0	0	0	110.5	L351 A356 R357 S362 L363 I364 V392 I411 V415	L351-V360 HydrophobicContact CD1-CB 4.02Å; L351-V360 HydrophobicContact CD1-CG1 4.41Å; L351-V360 HydrophobicContact CD1-CG2 3.79Å; A356-V360 VanDerWaalsContact O-CG2 3.31Å; A356-V360 WeakPolarHBondContact O-CG2 3.38Å; A356-V360 PolarHBondContact O-N 2.88Å; R357-V360 PolarHBondContact O-N 3.44Å; V360-S362 VanDerWaalsContact C-N 3.28Å; V360-S362 PolarHBondContact O-N 3.26Å; V360-L363 PolarHBondContact O-N 2.97Å; V360-L363 VanDerWaalsContact O-N 3.15Å; V360-I364 HydrophobicContact CG1-CD1 3.87Å; V360-I364 HydrophobicContact CG1-CG1 4.49Å; V360-I364 WeakPolarHBondContact O-CG1 3.26Å; V360-I364 PolarHBondContact O-N 3.39Å; V360-V392 HydrophobicContact CG1-CG1 4.1Å; V360-V392 HydrophobicContact CG1-CG2 4.27Å; V360-I411 HydrophobicContact CB-CG2 4.44Å; V360-I411 HydrophobicContact CG1-CG2 4.08Å; V360-I411 HydrophobicContact CG2-CG2 4.1Å; V360-I411 WeakPolarHBondContact CG2-O 3.37Å; V360-V415 HydrophobicContact CG1-CG2 3.93Å
361	C	98.8	Very high	98.5	Very high	29 Å²	29	46 Å²	46	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-39.3	176.6	-71.1	0	0	0	0	112.4	R357 D358 I364 Q365 R379	R357-C361 PolarHBondContact O-N 3.44Å; R357-C361 PolarHBondContact O-SG 2.92Å; D358-C361 PolarHBondContact O-N 3.14Å; C361-I364 PolarHBondContact O-N 3.49Å; C361-Q365 WeakPolarHBondContact O-CB 3.29Å; C361-Q365 PolarHBondContact O-N 3.12Å; C361-R379 HydrophobicContact CB-CG 4.5Å
362	S	98.7	Very high	98.5	Very high	61 Å²	61	46.6 Å²	46.6	43%	0.427	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-37.4	176.9	79.6	0	0	0	0	113	D358 R359 V360 Q365 S366	D358-S362 WeakPolarHBondContact O-CB 3.31Å; D358-S362 PolarHBondContact O-N 3.03Å; R359-S362 PolarHBondContact O-N 3.07Å; R359-S362 PolarHBondContact O-OG 3.33Å; V360-S362 VanDerWaalsContact C-N 3.28Å; V360-S362 PolarHBondContact O-N 3.26Å; S362-Q365 PolarHBondContact O-N 2.84Å; S362-S366 PolarHBondContact O-N 3.41Å
363	L	98.7	Very high	98.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-73	-36.4	177.5	-71.7	171	0	0	0	111.3	R359 V360 S366 G367 K405 C406 E409 I411	R359-L363 HydrophobicContact CG-CD1 4.24Å; R359-L363 PolarHBondContact O-N 3.42Å; V360-L363 PolarHBondContact O-N 2.97Å; V360-L363 VanDerWaalsContact O-N 3.15Å; L363-S366 WeakPolarHBondContact CA-OG 3.35Å; L363-S366 PolarHBondContact O-N 2.87Å; L363-S366 PolarHBondContact O-OG 3.43Å; L363-G367 PolarHBondContact O-N 3.47Å; L363-K405 HydrophobicContact CD2-CD 4.36Å; L363-K405 HydrophobicContact CD2-CG 4.12Å; L363-C406 VanDerWaalsContact O-CB 3.31Å; L363-C406 WeakPolarHBondContact O-CB 3.32Å; L363-E409 HydrophobicContact CD1-CB 4.45Å; L363-E409 HydrophobicContact CD2-CB 4.05Å; L363-I411 HydrophobicContact CB-CG1 4.2Å; L363-I411 HydrophobicContact CD1-CB 4.3Å; L363-I411 HydrophobicContact CD1-CG1 4.07Å; L363-I411 HydrophobicContact CD1-CG2 4.46Å
364	I	98.8	Very high	98.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-48.4	170.2	-63.9	163.8	0	0	0	110	V360 C361 S366 G367 V368 L374 R379 V392 T395 I397 V415	V360-I364 HydrophobicContact CG1-CD1 3.87Å; V360-I364 HydrophobicContact CG1-CG1 4.49Å; V360-I364 WeakPolarHBondContact O-CG1 3.26Å; V360-I364 PolarHBondContact O-N 3.39Å; C361-I364 PolarHBondContact O-N 3.49Å; I364-S366 VanDerWaalsContact C-N 3.33Å; I364-S366 PolarHBondContact O-N 2.92Å; I364-G367 PolarHBondContact O-N 3.02Å; I364-G367 VanDerWaalsContact O-N 3.11Å; I364-V368 PolarHBondContact O-N 3.47Å; I364-L374 HydrophobicContact CG2-CD1 3.86Å; I364-L374 HydrophobicContact CG2-CD2 4.48Å; I364-R379 HydrophobicContact CB-CG 4.36Å; I364-R379 HydrophobicContact CD1-CG 3.74Å; I364-R379 HydrophobicContact CG2-CG 4.1Å; I364-V392 HydrophobicContact CD1-CG1 4.24Å; I364-T395 HydrophobicContact CD1-CG2 3.93Å; I364-T395 HydrophobicContact CG1-CG2 4.07Å; I364-T395 HydrophobicContact CG2-CG2 4Å; I364-I397 HydrophobicContact CB-CD1 4.49Å; I364-I397 HydrophobicContact CG1-CD1 4.43Å; I364-I397 HydrophobicContact CG2-CD1 4.3Å; I364-V415 HydrophobicContact CD1-CG2 3.76Å; I364-V415 HydrophobicContact CG1-CG1 4.32Å; I364-V415 HydrophobicContact CG1-CG2 3.82Å
365	Q	98.7	Very high	98.5	Very high	69 Å²	69	53.7 Å²	53.7	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-40.4	178.8	-174.6	60.4	51.5	0	0	111.9	C361 S362 G367 V368 D369	C361-Q365 WeakPolarHBondContact O-CB 3.29Å; C361-Q365 PolarHBondContact O-N 3.12Å; S362-Q365 PolarHBondContact O-N 2.84Å; Q365-G367 PolarHBondContact O-N 3.48Å; Q365-V368 WeakPolarHBondContact O-CA 3.43Å; Q365-V368 WeakPolarHBondContact O-CB 3.4Å; Q365-V368 PolarHBondContact O-N 3.02Å; Q365-D369 PolarHBondContact NE2-OD1 3.02Å; Q365-D369 VanDerWaalsContact O-CG 3.3Å; Q365-D369 PolarHBondContact O-N 3.42Å
366	S	98.7	Very high	98.5	Very high	13 Å²	13	49 Å²	49	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-34.6	175.9	67.8	0	0	0	0	113	S362 L363 I364 V368 D369 E370	S362-S366 PolarHBondContact O-N 3.41Å; L363-S366 WeakPolarHBondContact CA-OG 3.35Å; L363-S366 PolarHBondContact O-N 2.87Å; L363-S366 PolarHBondContact O-OG 3.43Å; I364-S366 VanDerWaalsContact C-N 3.33Å; I364-S366 PolarHBondContact O-N 2.92Å; S366-V368 PolarHBondContact O-N 3.17Å; S366-D369 PolarHBondContact O-N 2.87Å; S366-E370 VanDerWaalsContact O-CB 3.3Å; S366-E370 WeakPolarHBondContact O-CB 3.43Å; S366-E370 WeakPolarHBondContact O-CG 3.24Å; S366-E370 PolarHBondContact O-N 3.16Å
367	G	98.3	Very high	98.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-45.4	173.8	0	0	0	0	0	111.8	L363 I364 Q365 E370 G371 A372	L363-G367 PolarHBondContact O-N 3.47Å; I364-G367 PolarHBondContact O-N 3.02Å; I364-G367 VanDerWaalsContact O-N 3.11Å; Q365-G367 PolarHBondContact O-N 3.48Å; G367-E370 PolarHBondContact O-N 3.41Å; G367-G371 PolarHBondContact O-N 3.47Å; G367-A372 WeakPolarHBondContact O-CA 3.41Å; G367-A372 WeakPolarHBondContact O-CB 3.16Å; G367-A372 PolarHBondContact O-N 3.44Å
368	V	98.1	Very high	98.5	Very high	53 Å²	53	47.8 Å²	47.8	32%	0.321	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-47.3	176.9	179.6	0	0	0	0	110.9	I364 Q365 S366 E370 G371 L374	I364-V368 PolarHBondContact O-N 3.47Å; Q365-V368 WeakPolarHBondContact O-CA 3.43Å; Q365-V368 WeakPolarHBondContact O-CB 3.4Å; Q365-V368 PolarHBondContact O-N 3.02Å; S366-V368 PolarHBondContact O-N 3.17Å; V368-E370 PolarHBondContact O-N 2.65Å; V368-G371 PolarHBondContact O-N 3.44Å; V368-G371 VanDerWaalsContact O-N 3.11Å; V368-L374 HydrophobicContact CG2-CB 4.2Å; V368-L374 HydrophobicContact CG2-CD2 4.11Å
369	D	98.5	Very high	98.5	Very high	116 Å²	116	46.3 Å²	46.3	62%	0.62	25%	0.25	S	C	*	.	H	α-helix	trans	-63.7	-31.6	-178.7	-60.8	-21.6	0	0	0	112.3	Q365 S366 G371	Q365-D369 PolarHBondContact NE2-OD1 3.02Å; Q365-D369 VanDerWaalsContact O-CG 3.3Å; Q365-D369 PolarHBondContact O-N 3.42Å; S366-D369 PolarHBondContact O-N 2.87Å; D369-G371 VanDerWaalsContact C-N 3.34Å
370	E	98.4	Very high	98.4	Very high	87 Å²	87	47 Å²	47	41%	0.407	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.8	178.7	-65	174.3	118.1	0	0	113.5	S366 G367 V368 M404 K405	S366-E370 VanDerWaalsContact O-CB 3.3Å; S366-E370 WeakPolarHBondContact O-CB 3.43Å; S366-E370 WeakPolarHBondContact O-CG 3.24Å; S366-E370 PolarHBondContact O-N 3.16Å; G367-E370 PolarHBondContact O-N 3.41Å; V368-E370 PolarHBondContact O-N 2.65Å; E370-M404 HydrophobicContact CB-CG 3.9Å; E370-M404 WeakPolarHBondContact O-CE 3.38Å; E370-M404 WeakPolarHBondContact OE2-CA 3.38Å; E370-M404 WeakPolarHBondContact OE2-CB 3.14Å; E370-K405 VanDerWaalsContact CD-N 3.35Å; E370-K405 PolarHBondContact OE1-N 2.97Å; E370-K405 VanDerWaalsContact OE1-N 3.12Å; E370-K405 WeakPolarHBondContact OE2-CB 3.45Å; E370-K405 PolarHBondContact OE2-N 3.05Å
371	G	97.9	Very high	98.2	Very high	47 Å²	47	49.3 Å²	49.3	49%	0.485	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	12.1	173.3	0	0	0	0	0	115.9	G367 V368 D369	G367-G371 PolarHBondContact O-N 3.47Å; V368-G371 PolarHBondContact O-N 3.44Å; V368-G371 VanDerWaalsContact O-N 3.11Å; D369-G371 VanDerWaalsContact C-N 3.34Å
372	A	98.2	Very high	98	Very high	12 Å²	12	57.3 Å²	57.3	10%	0.099	31%	0.308	C	S	.	.			trans	-72.5	157.4	171.2	0	0	0	0	0	111.4	G367 I397 V400 M404	G367-A372 WeakPolarHBondContact O-CA 3.41Å; G367-A372 WeakPolarHBondContact O-CB 3.16Å; G367-A372 PolarHBondContact O-N 3.44Å; A372-I397 HydrophobicContact CB-CG2 3.54Å; A372-V400 HydrophobicContact CB-CG2 3.88Å; A372-M404 HydrophobicContact CB-CE 4.05Å; A372-M404 HydrophobicContact CB-SD 3.88Å
373	Q	98.3	Very high	98	Very high	113 Å²	113	54.9 Å²	54.9	53%	0.528	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.4	179.1	-172	179.6	15.1	0	0	110.5	L375 I397 G398 N399	Q373-L375 VanDerWaalsContact CD-CD2 3.47Å; Q373-L375 HydrophobicContact CG-CD2 3.86Å; Q373-L375 HydrophobicContact CG-CG 4.29Å; Q373-L375 PolarHBondContact O-N 3.06Å; Q373-I397 CarbonylContact O-C 3.54Å; Q373-I397 WeakPolarHBondContact O-CA 3.3Å; Q373-G398 PolarHBondContact N-O 3.24Å; Q373-G398 PolarHBondContact O-N 3.24Å; Q373-N399 HydrophobicContact CB-CB 4.27Å
374	L	98.3	Very high	97.9	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.246	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	100.3	173.6	-165.4	59.7	0	0	0	109.9	I364 V368 D377 T395 I397	I364-L374 HydrophobicContact CG2-CD1 3.86Å; I364-L374 HydrophobicContact CG2-CD2 4.48Å; V368-L374 HydrophobicContact CG2-CB 4.2Å; V368-L374 HydrophobicContact CG2-CD2 4.11Å; L374-D377 HydrophobicContact CD2-CB 3.6Å; L374-D377 VanDerWaalsContact CD2-CG 3.42Å; L374-D377 WeakPolarHBondContact CD2-OD2 3.25Å; L374-D377 HydrophobicContact CG-CB 3.95Å; L374-T395 HydrophobicContact CD1-CG2 3.74Å; L374-I397 HydrophobicContact CD1-CG1 4Å
375	L	98.5	Very high	97.8	Very high	49 Å²	49	66.8 Å²	66.8	26%	0.257	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-30	-174.7	-65.3	169.6	0	0	0	112.7	L326 V330 Q373 I396	L326-L375 HydrophobicContact CD1-CD1 3.9Å; L326-L375 HydrophobicContact CD2-CD1 3.57Å; L326-L375 HydrophobicContact CG-CD1 3.86Å; V330-L375 HydrophobicContact CG2-CB 4.01Å; Q373-L375 VanDerWaalsContact CD-CD2 3.47Å; Q373-L375 HydrophobicContact CG-CD2 3.86Å; Q373-L375 HydrophobicContact CG-CG 4.29Å; Q373-L375 PolarHBondContact O-N 3.06Å; L375-I396 HydrophobicContact CB-CB 4.37Å; L375-I396 HydrophobicContact CB-CG2 4.22Å; L375-I396 HydrophobicContact CD1-CG2 4.07Å; L375-I396 PolarHBondContact N-O 3.4Å
376	L	98.8	Very high	97.7	Very high	28 Å²	28	65.6 Å²	65.6	15%	0.147	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125.1	171.1	-179.2	64.4	0	0	0	107.5	V330 A333 K334 P394 T395 I396	V330-L376 HydrophobicContact CG1-CB 4.26Å; A333-L376 HydrophobicContact CB-CD2 3.84Å; K334-L376 HydrophobicContact CB-CD1 4.2Å; K334-L376 HydrophobicContact CB-CD2 4.38Å; K334-L376 HydrophobicContact CG-CD1 4.25Å; L376-P394 HydrophobicContact CD2-CB 4.01Å; L376-P394 VanDerWaalsContact CD2-O 3.26Å; L376-P394 WeakPolarHBondContact CD2-O 3.45Å; L376-P394 VanDerWaalsContact CG-O 3.3Å; L376-P394 WeakPolarHBondContact CG-O 3.31Å; L376-T395 VanDerWaalsContact O-CA 3.28Å; L376-T395 WeakPolarHBondContact O-CA 3.29Å; L376-T395 VanDerWaalsContact O-CG2 3.26Å; L376-T395 WeakPolarHBondContact O-CG2 3.39Å; L376-I396 HydrophobicContact CB-CB 4.17Å; L376-I396 HydrophobicContact CB-CG1 4.44Å; L376-I396 PolarHBondContact N-O 2.94Å; L376-I396 PolarHBondContact O-N 2.65Å
377	D	98.7	Very high	97.6	Very high	69 Å²	69	71.4 Å²	71.4	37%	0.369	38%	0.376	S	S	.	.			trans	-108.5	106.7	-178.1	-170.6	-5.8	0	0	0	111.2	L374 R379	L374-D377 HydrophobicContact CD2-CB 3.6Å; L374-D377 VanDerWaalsContact CD2-CG 3.42Å; L374-D377 WeakPolarHBondContact CD2-OD2 3.25Å; L374-D377 HydrophobicContact CG-CB 3.95Å; D377-R379 WeakPolarHBondContact OD1-CB 3.37Å; D377-R379 VanDerWaalsContact OD1-CG 3.3Å; D377-R379 WeakPolarHBondContact OD1-CG 3.5Å; D377-R379 IonicContact OD1-CZ 3.78Å; D377-R379 PolarHBondContact OD1-N 3.28Å; D377-R379 IonicContact OD1-NE 3.99Å; D377-R379 PolarHBondContact OD1-NE 3.49Å; D377-R379 IonicContact OD1-NH2 3.84Å; D377-R379 IonicContact OD2-CZ 3.38Å; D377-R379 IonicContact OD2-NE 3.7Å; D377-R379 PolarHBondContact OD2-NE 3.05Å; D377-R379 IonicContact OD2-NH2 2.72Å; D377-R379 PolarHBondContact OD2-NH2 3.33Å
378	G	98.3	Very high	97.5	Very high	6 Å²	6	77.2 Å²	77.2	6%	0.062	41%	0.407	C	S	.	.			trans	-93	0.7	178.2	0	0	0	0	0	115.2	N380 V381 G393 T395	G378-N380 VanDerWaalsContact C-N 3.3Å; G378-N380 PolarHBondContact O-N 3.44Å; G378-V381 PolarHBondContact O-N 3.04Å; G378-G393 PolarHBondContact O-N 3.27Å; G378-T395 WeakPolarHBondContact CA-OG1 3Å; G378-T395 PolarHBondContact N-OG1 2.59Å
379	R	98.3	Very high	97.5	Very high	51 Å²	51	75 Å²	75	19%	0.192	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.9	-168.1	-68.6	175.5	-69.5	175.7	3.3	114.5	C361 I364 D377	C361-R379 HydrophobicContact CB-CG 4.5Å; I364-R379 HydrophobicContact CB-CG 4.36Å; I364-R379 HydrophobicContact CD1-CG 3.74Å; I364-R379 HydrophobicContact CG2-CG 4.1Å; D377-R379 WeakPolarHBondContact OD1-CB 3.37Å; D377-R379 VanDerWaalsContact OD1-CG 3.3Å; D377-R379 WeakPolarHBondContact OD1-CG 3.5Å; D377-R379 IonicContact OD1-CZ 3.78Å; D377-R379 PolarHBondContact OD1-N 3.28Å; D377-R379 IonicContact OD1-NE 3.99Å; D377-R379 PolarHBondContact OD1-NE 3.49Å; D377-R379 IonicContact OD1-NH2 3.84Å; D377-R379 IonicContact OD2-CZ 3.38Å; D377-R379 IonicContact OD2-NE 3.7Å; D377-R379 PolarHBondContact OD2-NE 3.05Å; D377-R379 IonicContact OD2-NH2 2.72Å; D377-R379 PolarHBondContact OD2-NH2 3.33Å
380	N	95.8	Very high	97.5	Very high	134 Å²	134	69.5 Å²	69.5	72%	0.717	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	25.4	-172.8	-62.5	-50.2	0	0	0	112.8	G378 K382	G378-N380 VanDerWaalsContact C-N 3.3Å; G378-N380 PolarHBondContact O-N 3.44Å; N380-K382 PolarHBondContact O-N 3.11Å
381	V	96.4	Very high	97.5	Very high	51 Å²	51	65.9 Å²	65.9	31%	0.309	35%	0.348	S	S	.	.			trans	-60.4	135.9	177.3	70.2	0	0	0	0	110.2	V338 G378 F391	V338-V381 HydrophobicContact CB-CG2 4.12Å; V338-V381 HydrophobicContact CG1-CG1 4.3Å; V338-V381 HydrophobicContact CG1-CG2 4.24Å; V338-V381 HydrophobicContact CG2-CG2 4.27Å; G378-V381 PolarHBondContact O-N 3.04Å; V381-F391 HydrophobicContact CG1-CB 3.71Å
382	K	94.5	Very high	97.6	Very high	197 Å²	197	63.7 Å²	63.7	86%	0.857	33%	0.325	S	S	*	.			trans	-116.2	123.1	174.8	-65.8	-173.8	179	-176.7	0	109.1	N380	N380-K382 PolarHBondContact O-N 3.11Å
383	V	97.6	Very high	97.6	Very high	10 Å²	10	63.2 Å²	63.2	6%	0.061	32%	0.321	C	S	.	.			trans	-105.3	115	177.3	-175	0	0	0	0	108	V338 N339 G385 Y386 F391	V338-V383 HydrophobicContact CG1-CG2 3.99Å; N339-V383 HydrophobicContact CB-CG1 4.44Å; N339-V383 WeakPolarHBondContact OD1-CG1 3.49Å; V383-G385 PolarHBondContact O-N 3.46Å; V383-Y386 HydrophobicContact CG1-CD2 3.86Å; V383-Y386 HydrophobicContact CG1-CG 4.4Å; V383-Y386 CarbonylContact O-C 3.55Å; V383-Y386 PolarHBondContact O-N 3.18Å; V383-F391 HydrophobicContact CB-CD2 4.12Å; V383-F391 HydrophobicContact CB-CE2 4.08Å; V383-F391 HydrophobicContact CB-CG 4.49Å; V383-F391 HydrophobicContact CB-CZ 4.41Å; V383-F391 HydrophobicContact CG1-CE2 4.49Å; V383-F391 HydrophobicContact CG1-CZ 4.4Å; V383-F391 HydrophobicContact CG2-CB 4.18Å; V383-F391 HydrophobicContact CG2-CD1 3.86Å; V383-F391 HydrophobicContact CG2-CD2 3.76Å; V383-F391 HydrophobicContact CG2-CE1 4.15Å; V383-F391 HydrophobicContact CG2-CE2 4.08Å; V383-F391 HydrophobicContact CG2-CG 3.65Å; V383-F391 HydrophobicContact CG2-CZ 4.25Å
384	K	96.6	Very high	97.6	Very high	197 Å²	197	58.3 Å²	58.3	86%	0.857	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	127.7	-177.6	-178.3	-179.2	177.7	-178.2	0	110.6	Y386	K384-Y386 VanDerWaalsContact C-N 3.27Å
385	G	96.6	Very high	97.6	Very high	53 Å²	53	56 Å²	56	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-1.2	-177.7	0	0	0	0	0	114.5	V383 E387	V383-G385 PolarHBondContact O-N 3.46Å; G385-E387 VanDerWaalsContact C-OE2 3.3Å; G385-E387 WeakPolarHBondContact CA-OE2 3.44Å; G385-E387 PolarHBondContact N-OE1 3.31Å; G385-E387 PolarHBondContact N-OE2 3.01Å
386	Y	97.7	Very high	97.7	Very high	44 Å²	44	53.7 Å²	53.7	17%	0.173	28%	0.275	C	S	.	.			trans	-136.8	39.4	179.5	-59.6	-84.4	0	0	0	111	A56 T57 A340 Q343 V383 K384 N388 G389 F391	A56-Y386 HydrophobicContact CB-CD1 3.89Å; A56-Y386 HydrophobicContact CB-CE1 4.2Å; A56-Y386 WeakPolarHBondContact O-CB 3.26Å; T57-Y386 HydrophobicContact CG2-CD1 3.88Å; T57-Y386 HydrophobicContact CG2-CE1 4.08Å; A340-Y386 HydrophobicContact CB-CD1 3.96Å; A340-Y386 HydrophobicContact CB-CD2 4.19Å; A340-Y386 HydrophobicContact CB-CE1 3.56Å; A340-Y386 HydrophobicContact CB-CE2 3.82Å; A340-Y386 HydrophobicContact CB-CG 4.26Å; A340-Y386 VanDerWaalsContact CB-CZ 3.48Å; Q343-Y386 HydrophobicContact CG-CE2 4.15Å; Q343-Y386 PolarHBondContact NE2-OH 2.85Å; V383-Y386 HydrophobicContact CG1-CD2 3.86Å; V383-Y386 HydrophobicContact CG1-CG 4.4Å; V383-Y386 CarbonylContact O-C 3.55Å; V383-Y386 PolarHBondContact O-N 3.18Å; K384-Y386 VanDerWaalsContact C-N 3.27Å; Y386-N388 PolarHBondContact O-N 3.33Å; Y386-N388 VanDerWaalsContact O-N 3.12Å; Y386-G389 PolarHBondContact O-N 3.18Å; Y386-F391 HydrophobicContact CG-CE2 4.5Å
387	E	96.4	Very high	97.7	Very high	136 Å²	136	52.4 Å²	52.4	64%	0.636	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.6	-173.1	-68.1	74.8	-166.8	0	0	112.9	G385	G385-E387 VanDerWaalsContact C-OE2 3.3Å; G385-E387 WeakPolarHBondContact CA-OE2 3.44Å; G385-E387 PolarHBondContact N-OE1 3.31Å; G385-E387 PolarHBondContact N-OE2 3.01Å
388	N	96.3	Very high	97.6	Very high	122 Å²	122	49.2 Å²	49.2	65%	0.652	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.9	178.1	-65.6	-34.1	0	0	0	113.5	N58 Y386	N58-N388 PolarHBondContact ND2-O 2.91Å; Y386-N388 PolarHBondContact O-N 3.33Å; Y386-N388 VanDerWaalsContact O-N 3.12Å
389	G	97.8	Very high	97.5	Very high	7 Å²	7	54.3 Å²	54.3	7%	0.072	28%	0.278	C	S	.	.	S	Bend	trans	-72.2	163.7	-176.6	0	0	0	0	0	114.6	A56 Y386 F391	A56-G389 WeakPolarHBondContact O-CA 3.45Å; A56-G389 PolarHBondContact O-N 3.38Å; Y386-G389 PolarHBondContact O-N 3.18Å; G389-F391 PolarHBondContact O-N 3.19Å
390	N	98.6	Very high	97.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.			trans	-86.2	47.7	-176.4	-60.9	-41.5	0	0	0	112.5	P55 N58 P350 L351 S353 P354 R357	P55-N390 PolarHBondContact O-N 3.04Å; P55-N390 PolarHBondContact O-ND2 2.97Å; N58-N390 PolarHBondContact ND2-OD1 2.87Å; N58-N390 PolarHBondContact OD1-ND2 2.9Å; N58-N390 PolarHBondContact OD1-OD1 3.01Å; P350-N390 HydrophobicContact CB-CB 4.26Å; L351-N390 HydrophobicContact CB-CB 4.36Å; L351-N390 WeakPolarHBondContact CB-O 3.36Å; L351-N390 PolarHBondContact N-O 3.42Å; L351-N390 WeakPolarHBondContact O-CB 3.36Å; S353-N390 WeakPolarHBondContact CA-ND2 3.38Å; P354-N390 WeakPolarHBondContact CA-OD1 3.45Å; P354-N390 WeakPolarHBondContact CD-OD1 3.24Å; P354-N390 WeakPolarHBondContact CG-OD1 3.43Å; R357-N390 HydrophobicContact CB-CB 4.47Å
391	F	98.7	Very high	97.6	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.044	25%	0.254	C	S	.	.			trans	-83.3	137.7	-173.6	-62.5	-79.7	0	0	0	112.8	A56 V338 N339 A340 P350 V381 V383 Y386 G389	A56-F391 HydrophobicContact CB-CZ 4.08Å; V338-F391 HydrophobicContact CG1-CB 4.25Å; V338-F391 HydrophobicContact CG1-CD1 3.7Å; V338-F391 HydrophobicContact CG1-CG 4.31Å; N339-F391 WeakPolarHBondContact O-CE1 3.36Å; A340-F391 HydrophobicContact CB-CZ 4.44Å; P350-F391 HydrophobicContact CB-CD1 3.92Å; P350-F391 HydrophobicContact CB-CE1 3.75Å; P350-F391 HydrophobicContact CB-CE2 4.49Å; P350-F391 HydrophobicContact CB-CG 4.39Å; P350-F391 HydrophobicContact CB-CZ 4.06Å; P350-F391 HydrophobicContact CG-CE1 4.11Å; P350-F391 HydrophobicContact CG-CZ 4.32Å; V381-F391 HydrophobicContact CG1-CB 3.71Å; V383-F391 HydrophobicContact CB-CD2 4.12Å; V383-F391 HydrophobicContact CB-CE2 4.08Å; V383-F391 HydrophobicContact CB-CG 4.49Å; V383-F391 HydrophobicContact CB-CZ 4.41Å; V383-F391 HydrophobicContact CG1-CE2 4.49Å; V383-F391 HydrophobicContact CG1-CZ 4.4Å; V383-F391 HydrophobicContact CG2-CB 4.18Å; V383-F391 HydrophobicContact CG2-CD1 3.86Å; V383-F391 HydrophobicContact CG2-CD2 3.76Å; V383-F391 HydrophobicContact CG2-CE1 4.15Å; V383-F391 HydrophobicContact CG2-CE2 4.08Å; V383-F391 HydrophobicContact CG2-CG 3.65Å; V383-F391 HydrophobicContact CG2-CZ 4.25Å; Y386-F391 HydrophobicContact CG-CE2 4.5Å; G389-F391 PolarHBondContact O-N 3.19Å
392	V	98.8	Very high	97.6	Very high	1 Å²	1	49 Å²	49	1%	0.006	26%	0.257	C	S	.	.			trans	-131.9	130.4	161.5	-179.5	0	0	0	0	105.8	L351 R357 V360 I364 P414	L351-V392 HydrophobicContact CD1-CB 4.18Å; L351-V392 HydrophobicContact CD1-CG2 3.6Å; R357-V392 HydrophobicContact CG-CG2 3.72Å; V360-V392 HydrophobicContact CG1-CG1 4.1Å; V360-V392 HydrophobicContact CG1-CG2 4.27Å; I364-V392 HydrophobicContact CD1-CG1 4.24Å; V392-P414 HydrophobicContact CB-CG 3.99Å; V392-P414 HydrophobicContact CG1-CG 4.09Å; V392-P414 WeakPolarHBondContact O-CG 3.37Å
393	G	98.6	Very high	97.7	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.021	25%	0.254	C	S	.	.			trans	-76.8	167.5	177.2	0	0	0	0	0	112.6	G378 T395	G378-G393 PolarHBondContact O-N 3.27Å; G393-T395 PolarHBondContact O-N 3.38Å; G393-T395 PolarHBondContact O-OG1 2.71Å; G393-T395 VanDerWaalsContact O-OG1 3.08Å
394	P	98.8	Very high	97.8	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.065	25%	0.254	C	S	.	.			trans	-49.2	126.7	169.7	-22.6	30.7	0	0	0	110.3	F303 A333 L336 V348 L376	F303-P394 HydrophobicContact CD1-CB 3.84Å; F303-P394 HydrophobicContact CD2-CB 4.44Å; F303-P394 HydrophobicContact CE1-CB 3.83Å; F303-P394 HydrophobicContact CE2-CB 4.44Å; F303-P394 HydrophobicContact CG-CB 4.16Å; F303-P394 HydrophobicContact CZ-CB 4.15Å; A333-P394 HydrophobicContact CB-CB 4.27Å; A333-P394 WeakPolarHBondContact O-CG 3.23Å; L336-P394 HydrophobicContact CB-CG 3.89Å; L336-P394 HydrophobicContact CD1-CB 4.35Å; L336-P394 HydrophobicContact CD1-CG 3.78Å; L336-P394 HydrophobicContact CG-CG 4.39Å; V348-P394 HydrophobicContact CG2-CG 4.34Å; L376-P394 HydrophobicContact CD2-CB 4.01Å; L376-P394 VanDerWaalsContact CD2-O 3.26Å; L376-P394 WeakPolarHBondContact CD2-O 3.45Å; L376-P394 VanDerWaalsContact CG-O 3.3Å; L376-P394 WeakPolarHBondContact CG-O 3.31Å
395	T	98.9	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.6	-179.1	-59.8	0	0	0	0	108.9	I364 L374 L376 G378 G393 I397 P414 V415 L416	I364-T395 HydrophobicContact CD1-CG2 3.93Å; I364-T395 HydrophobicContact CG1-CG2 4.07Å; I364-T395 HydrophobicContact CG2-CG2 4Å; L374-T395 HydrophobicContact CD1-CG2 3.74Å; L376-T395 VanDerWaalsContact O-CA 3.28Å; L376-T395 WeakPolarHBondContact O-CA 3.29Å; L376-T395 VanDerWaalsContact O-CG2 3.26Å; L376-T395 WeakPolarHBondContact O-CG2 3.39Å; G378-T395 WeakPolarHBondContact CA-OG1 3Å; G378-T395 PolarHBondContact N-OG1 2.59Å; G393-T395 PolarHBondContact O-N 3.38Å; G393-T395 PolarHBondContact O-OG1 2.71Å; G393-T395 VanDerWaalsContact O-OG1 3.08Å; T395-I397 HydrophobicContact CG2-CG1 4.17Å; T395-P414 PolarHBondContact N-O 3.49Å; T395-V415 HydrophobicContact CG2-CG1 4.14Å; T395-V415 CarbonylContact O-C 3.4Å; T395-V415 WeakPolarHBondContact O-CA 3.49Å; T395-L416 PolarHBondContact O-N 3.27Å
396	I	98.9	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.6	176.3	-62.5	176.2	0	0	0	108.5	F303 L326 L329 V330 A333 L375 L376 L416 V418	F303-I396 HydrophobicContact CZ-CD1 4.32Å; F303-I396 HydrophobicContact CZ-CG1 3.9Å; L326-I396 HydrophobicContact CD1-CG2 4.34Å; L329-I396 HydrophobicContact CG-CD1 4.26Å; V330-I396 HydrophobicContact CB-CD1 4.38Å; V330-I396 HydrophobicContact CG2-CB 4.43Å; V330-I396 HydrophobicContact CG2-CD1 3.84Å; V330-I396 HydrophobicContact CG2-CG2 4.31Å; A333-I396 HydrophobicContact CB-CD1 3.66Å; A333-I396 HydrophobicContact CB-CG1 4.43Å; L375-I396 HydrophobicContact CB-CB 4.37Å; L375-I396 HydrophobicContact CB-CG2 4.22Å; L375-I396 HydrophobicContact CD1-CG2 4.07Å; L375-I396 PolarHBondContact N-O 3.4Å; L376-I396 HydrophobicContact CB-CB 4.17Å; L376-I396 HydrophobicContact CB-CG1 4.44Å; L376-I396 PolarHBondContact N-O 2.94Å; L376-I396 PolarHBondContact O-N 2.65Å; I396-L416 WeakPolarHBondContact CA-O 3.44Å; I396-L416 HydrophobicContact CG1-CB 4.29Å; I396-V418 HydrophobicContact CG2-CG2 3.87Å
397	I	98.8	Very high	97.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.3	179.2	-45.5	179	0	0	0	107.9	I364 A372 Q373 L374 T395 V400 V415 L416 V418	I364-I397 HydrophobicContact CB-CD1 4.49Å; I364-I397 HydrophobicContact CG1-CD1 4.43Å; I364-I397 HydrophobicContact CG2-CD1 4.3Å; A372-I397 HydrophobicContact CB-CG2 3.54Å; Q373-I397 CarbonylContact O-C 3.54Å; Q373-I397 WeakPolarHBondContact O-CA 3.3Å; L374-I397 HydrophobicContact CD1-CG1 4Å; T395-I397 HydrophobicContact CG2-CG1 4.17Å; I397-V400 HydrophobicContact CB-CG2 4.07Å; I397-V400 HydrophobicContact CG2-CG2 3.56Å; I397-V415 HydrophobicContact CD1-CG1 3.8Å; I397-V415 HydrophobicContact CG1-CG1 4.06Å; I397-L416 PolarHBondContact N-O 3.22Å; I397-V418 PolarHBondContact O-N 2.79Å
398	G	98.1	Very high	97.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	175.7	174.6	0	0	0	0	0	112.4	Q373 V400	Q373-G398 PolarHBondContact N-O 3.24Å; Q373-G398 PolarHBondContact O-N 3.24Å; G398-V400 PolarHBondContact O-N 3.01Å
399	N	95.7	Very high	97.9	Very high	114 Å²	114	36.6 Å²	36.6	61%	0.61	18%	0.175	S	C	*	.	S	Bend	trans	52.4	35.3	-177.2	-165.9	41.8	0	0	0	113.2	Q373	Q373-N399 HydrophobicContact CB-CB 4.27Å
400	V	97.9	Very high	97.8	Very high	10 Å²	10	38 Å²	38	6%	0.061	18%	0.18	C	C	.	.			trans	-83	147.1	178.7	175.2	0	0	0	0	109.7	A372 I397 G398 M404 I417 L419	A372-V400 HydrophobicContact CB-CG2 3.88Å; I397-V400 HydrophobicContact CB-CG2 4.07Å; I397-V400 HydrophobicContact CG2-CG2 3.56Å; G398-V400 PolarHBondContact O-N 3.01Å; V400-M404 VanDerWaalsContact CA-SD 3.59Å; V400-M404 HydrophobicContact CB-SD 4.14Å; V400-M404 HydrophobicContact CG1-CB 4.45Å; V400-M404 HydrophobicContact CG1-SD 3.85Å; V400-M404 HydrophobicContact CG2-SD 4.38Å; V400-I417 HydrophobicContact CB-CG2 3.63Å; V400-I417 HydrophobicContact CG1-CG2 3.59Å; V400-I417 HydrophobicContact CG2-CG2 3.81Å; V400-L419 WeakPolarHBondContact O-CD2 3.45Å
401	T	97.2	Very high	97.8	Very high	58 Å²	58	38.3 Å²	38.3	36%	0.356	18%	0.182	S	C	.	.			trans	-118.7	155.8	171.8	74.4	0	0	0	0	111.1	R403 M404	T401-R403 PolarHBondContact O-N 3.04Å; T401-M404 HydrophobicContact CG2-CE 4.24Å; T401-M404 PolarHBondContact N-SD 3.1Å; T401-M404 PolarHBondContact O-N 3.28Å; T401-M404 VanDerWaalsContact O-N 3.08Å
402	P	97.2	Very high	97.8	Very high	57 Å²	57	40.2 Å²	40.2	37%	0.37	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.8	177.3	-27.5	36.4	0	0	0	115.9	Y407 L430	P402-Y407 HydrophobicContact CB-CD1 4.02Å; P402-Y407 HydrophobicContact CB-CE1 3.72Å; P402-Y407 HydrophobicContact CG-CE1 4.39Å; P402-L430 HydrophobicContact CG-CD2 3.69Å
403	R	97.2	Very high	97.8	Very high	207 Å²	207	40.4 Å²	40.4	78%	0.781	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-23.1	178.6	-63.4	-174.5	-178.7	-152.1	0.6	112.9	T401 K408	T401-R403 PolarHBondContact O-N 3.04Å; R403-K408 WeakPolarHBondContact O-CE 3.44Å; R403-K408 PolarHBondContact O-NZ 3.23Å
404	M	98.4	Very high	97.8	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.064	19%	0.191	C	C	.	.	S	Bend	trans	-68.9	145.1	-175.9	-67.1	170.1	173.9	0	0	111.5	E370 A372 V400 T401 C406 Y407 K408	E370-M404 HydrophobicContact CB-CG 3.9Å; E370-M404 WeakPolarHBondContact O-CE 3.38Å; E370-M404 WeakPolarHBondContact OE2-CA 3.38Å; E370-M404 WeakPolarHBondContact OE2-CB 3.14Å; A372-M404 HydrophobicContact CB-CE 4.05Å; A372-M404 HydrophobicContact CB-SD 3.88Å; V400-M404 VanDerWaalsContact CA-SD 3.59Å; V400-M404 HydrophobicContact CB-SD 4.14Å; V400-M404 HydrophobicContact CG1-CB 4.45Å; V400-M404 HydrophobicContact CG1-SD 3.85Å; V400-M404 HydrophobicContact CG2-SD 4.38Å; T401-M404 HydrophobicContact CG2-CE 4.24Å; T401-M404 PolarHBondContact N-SD 3.1Å; T401-M404 PolarHBondContact O-N 3.28Å; T401-M404 VanDerWaalsContact O-N 3.08Å; M404-C406 VanDerWaalsContact C-N 3.34Å; M404-C406 PolarHBondContact O-N 3.33Å; M404-Y407 WeakPolarHBondContact O-CB 3.49Å; M404-Y407 PolarHBondContact O-N 3.36Å; M404-K408 PolarHBondContact O-N 3.1Å
405	K	98.1	Very high	97.8	Very high	91 Å²	91	40 Å²	40	40%	0.396	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-42.8	178.7	-172.9	-179.3	-176.9	-177.7	0	112	L363 E370 Y407 K408 E409	L363-K405 HydrophobicContact CD2-CD 4.36Å; L363-K405 HydrophobicContact CD2-CG 4.12Å; E370-K405 VanDerWaalsContact CD-N 3.35Å; E370-K405 PolarHBondContact OE1-N 2.97Å; E370-K405 VanDerWaalsContact OE1-N 3.12Å; E370-K405 WeakPolarHBondContact OE2-CB 3.45Å; E370-K405 PolarHBondContact OE2-N 3.05Å; K405-Y407 PolarHBondContact O-N 2.9Å; K405-K408 PolarHBondContact O-N 2.88Å; K405-E409 WeakPolarHBondContact CE-OE1 3.11Å; K405-E409 HydrophobicContact CG-CG 4.45Å; K405-E409 IonicContact NZ-OE1 3.23Å; K405-E409 PolarHBondContact O-N 3.35Å
406	C	97.2	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-29	177.9	69.5	0	0	0	0	112.5	K280 L363 M404 I417	K280-C406 PolarHBondContact NZ-O 2.96Å; L363-C406 VanDerWaalsContact O-CB 3.31Å; L363-C406 WeakPolarHBondContact O-CB 3.32Å; M404-C406 VanDerWaalsContact C-N 3.34Å; M404-C406 PolarHBondContact O-N 3.33Å; C406-I417 HydrophobicContact CB-CD1 4.36Å; C406-I417 WeakPolarHBondContact O-CD1 3.46Å
407	Y	98.1	Very high	97.8	Very high	9 Å²	9	40 Å²	40	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-79.5	-49.5	173.2	177.8	-96.1	0	0	0	112.5	K280 H282 T315 P402 M404 K405 E409 I417 L419	K280-Y407 WeakPolarHBondContact CD-O 3.35Å; K280-Y407 WeakPolarHBondContact CE-O 3.46Å; K280-Y407 PolarHBondContact NZ-O 2.9Å; H282-Y407 AromaticContact NE2-CE2 3.44Å; H282-Y407 WeakPolarHBondContact NE2-CE2 3.46Å; H282-Y407 AromaticContact NE2-CZ 3.56Å; H282-Y407 PolarHBondContact NE2-OH 2.88Å; T315-Y407 HydrophobicContact CG2-CE2 4.27Å; P402-Y407 HydrophobicContact CB-CD1 4.02Å; P402-Y407 HydrophobicContact CB-CE1 3.72Å; P402-Y407 HydrophobicContact CG-CE1 4.39Å; M404-Y407 WeakPolarHBondContact O-CB 3.49Å; M404-Y407 PolarHBondContact O-N 3.36Å; K405-Y407 PolarHBondContact O-N 2.9Å; Y407-E409 PolarHBondContact O-N 3.05Å; Y407-I417 HydrophobicContact CD2-CG2 4.45Å; Y407-L419 HydrophobicContact CD2-CD1 4.27Å; Y407-L419 HydrophobicContact CE2-CD1 3.68Å
408	K	96.6	Very high	97.8	Very high	119 Å²	119	40 Å²	40	52%	0.517	19%	0.19	S	C	.	.	H	α-helix	trans	-63.9	-39.3	-174.4	-72.2	171.8	174.2	162.3	0	113.2	R403 M404 K405	R403-K408 WeakPolarHBondContact O-CE 3.44Å; R403-K408 PolarHBondContact O-NZ 3.23Å; M404-K408 PolarHBondContact O-N 3.1Å; K405-K408 PolarHBondContact O-N 2.88Å
409	E	96.1	Very high	97.8	Very high	58 Å²	58	40.3 Å²	40.3	27%	0.271	19%	0.191	S	C	.	.	S	Bend	trans	-88	144.3	-179.4	-67.3	-169.9	-141	0	0	111.7	K280 R359 L363 K405 Y407 I411	K280-E409 PolarHBondContact NZ-O 3.43Å; R359-E409 IonicContact CZ-OE2 3.34Å; R359-E409 IonicContact NH1-OE2 2.87Å; R359-E409 PolarHBondContact NH1-OE2 3.34Å; R359-E409 IonicContact NH2-OE2 2.67Å; R359-E409 PolarHBondContact NH2-OE2 3.46Å; L363-E409 HydrophobicContact CD1-CB 4.45Å; L363-E409 HydrophobicContact CD2-CB 4.05Å; K405-E409 WeakPolarHBondContact CE-OE1 3.11Å; K405-E409 HydrophobicContact CG-CG 4.45Å; K405-E409 IonicContact NZ-OE1 3.23Å; K405-E409 PolarHBondContact O-N 3.35Å; Y407-E409 PolarHBondContact O-N 3.05Å; E409-I411 PolarHBondContact O-N 3.26Å
410	E	96.9	Very high	97.9	Very high	36 Å²	36	39.7 Å²	39.7	17%	0.168	18%	0.184	C	C	.	.			trans	-68.7	117.8	166.4	-175.1	175.2	-141	0	0	108.7	G278 A279 F412	G278-E410 VanDerWaalsContact CA-OE2 3.24Å; G278-E410 WeakPolarHBondContact CA-OE2 3.34Å; A279-E410 PolarHBondContact N-OE1 3.26Å; A279-E410 VanDerWaalsContact O-CG 3.27Å; A279-E410 WeakPolarHBondContact O-CG 3.49Å; E410-F412 HydrophobicContact CG-CB 4.27Å; E410-F412 HydrophobicContact CG-CD2 4.04Å
411	I	98	Very high	97.9	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.041	18%	0.183	C	C	.	.			trans	-75.3	-43.1	-179	-61.7	176.3	0	0	0	110.4	V360 L363 E409 G413 V415 I417	V360-I411 HydrophobicContact CB-CG2 4.44Å; V360-I411 HydrophobicContact CG1-CG2 4.08Å; V360-I411 HydrophobicContact CG2-CG2 4.1Å; V360-I411 WeakPolarHBondContact CG2-O 3.37Å; L363-I411 HydrophobicContact CB-CG1 4.2Å; L363-I411 HydrophobicContact CD1-CB 4.3Å; L363-I411 HydrophobicContact CD1-CG1 4.07Å; L363-I411 HydrophobicContact CD1-CG2 4.46Å; E409-I411 PolarHBondContact O-N 3.26Å; I411-G413 VanDerWaalsContact C-N 3.31Å; I411-G413 PolarHBondContact O-N 2.82Å; I411-V415 HydrophobicContact CD1-CB 4.05Å; I411-V415 HydrophobicContact CD1-CG1 3.83Å; I411-V415 HydrophobicContact CG2-CB 4.08Å; I411-V415 HydrophobicContact CG2-CG2 3.79Å; I411-I417 HydrophobicContact CD1-CD1 3.96Å; I411-I417 HydrophobicContact CD1-CG1 4.42Å
412	F	98.3	Very high	97.9	Very high	49 Å²	49	42.7 Å²	42.7	22%	0.215	20%	0.198	C	C	.	.			trans	56.1	42.7	-179.7	-142.4	-107.2	0	0	0	113.6	F178 N179 Q308 E410	F178-F412 HydrophobicContact CE1-CE1 4.15Å; F178-F412 HydrophobicContact CE2-CE1 4.23Å; F178-F412 AromaticContact CZ-CD1 3.94Å; F178-F412 HydrophobicContact CZ-CD1 3.94Å; F178-F412 AromaticContact CZ-CE1 3.52Å; F178-F412 HydrophobicContact CZ-CE1 3.52Å; N179-F412 HydrophobicContact CB-CE1 4.09Å; N179-F412 HydrophobicContact CB-CZ 4.07Å; Q308-F412 VanDerWaalsContact C-CZ 3.44Å; Q308-F412 HydrophobicContact CB-CD1 3.9Å; Q308-F412 HydrophobicContact CB-CE1 3.68Å; Q308-F412 HydrophobicContact CB-CZ 4.4Å; Q308-F412 HydrophobicContact CG-CD1 4.04Å; Q308-F412 HydrophobicContact CG-CE1 4.28Å; Q308-F412 WeakPolarHBondContact CG-O 3.37Å; E410-F412 HydrophobicContact CG-CB 4.27Å; E410-F412 HydrophobicContact CG-CD2 4.04Å
413	G	98.5	Very high	98	Very high	5 Å²	5	41.9 Å²	41.9	5%	0.052	19%	0.194	C	C	.	.	S	Bend	trans	-148.5	179.3	177.9	0	0	0	0	0	110.9	A306 I411 V415	A306-G413 CarbonylContact O-C 3.58Å; A306-G413 WeakPolarHBondContact O-CA 3.41Å; I411-G413 VanDerWaalsContact C-N 3.31Å; I411-G413 PolarHBondContact O-N 2.82Å; G413-V415 PolarHBondContact O-N 3.35Å
414	P	98.5	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-77.5	62.4	-174.1	31.3	-32.6	0	0	0	111.2	F303 A306 V348 V392 T395	F303-P414 HydrophobicContact CD1-CB 3.92Å; F303-P414 WeakPolarHBondContact CD1-O 3.35Å; F303-P414 VanDerWaalsContact CE1-O 3.32Å; F303-P414 WeakPolarHBondContact CE1-O 3.49Å; A306-P414 WeakPolarHBondContact O-CD 3.17Å; V348-P414 HydrophobicContact CG1-CB 4.22Å; V348-P414 HydrophobicContact CG1-CG 4.48Å; V392-P414 HydrophobicContact CB-CG 3.99Å; V392-P414 HydrophobicContact CG1-CG 4.09Å; V392-P414 WeakPolarHBondContact O-CG 3.37Å; T395-P414 PolarHBondContact N-O 3.49Å
415	V	98.8	Very high	98.1	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.2	-175.2	-171	0	0	0	0	109.8	V360 I364 T395 I397 I411 G413	V360-V415 HydrophobicContact CG1-CG2 3.93Å; I364-V415 HydrophobicContact CD1-CG2 3.76Å; I364-V415 HydrophobicContact CG1-CG1 4.32Å; I364-V415 HydrophobicContact CG1-CG2 3.82Å; T395-V415 HydrophobicContact CG2-CG1 4.14Å; T395-V415 CarbonylContact O-C 3.4Å; T395-V415 WeakPolarHBondContact O-CA 3.49Å; I397-V415 HydrophobicContact CD1-CG1 3.8Å; I397-V415 HydrophobicContact CG1-CG1 4.06Å; I411-V415 HydrophobicContact CD1-CB 4.05Å; I411-V415 HydrophobicContact CD1-CG1 3.83Å; I411-V415 HydrophobicContact CG2-CB 4.08Å; I411-V415 HydrophobicContact CG2-CG2 3.79Å; G413-V415 PolarHBondContact O-N 3.35Å
416	L	98.9	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.5	171.4	-179.9	61.2	0	0	0	109.9	A302 F303 L313 A316 L329 T395 I396 I397 V418	A302-L416 HydrophobicContact CB-CB 3.97Å; A302-L416 HydrophobicContact CB-CD1 4.09Å; A302-L416 HydrophobicContact CB-CD2 4.38Å; A302-L416 HydrophobicContact CB-CG 4.38Å; F303-L416 HydrophobicContact CE1-CB 4.3Å; F303-L416 HydrophobicContact CZ-CB 3.88Å; L313-L416 WeakPolarHBondContact O-CD1 3.42Å; A316-L416 HydrophobicContact CB-CD1 4.14Å; L329-L416 HydrophobicContact CD2-CD2 3.79Å; L329-L416 HydrophobicContact CG-CD2 4.4Å; T395-L416 PolarHBondContact O-N 3.27Å; I396-L416 WeakPolarHBondContact CA-O 3.44Å; I396-L416 HydrophobicContact CG1-CB 4.29Å; I397-L416 PolarHBondContact N-O 3.22Å; L416-V418 HydrophobicContact CG-CG2 4.37Å
417	I	98.6	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.7	169.9	-71.8	177	0	0	0	109.2	S314 T315 A316 V400 C406 Y407 I411	S314-I417 PolarHBondContact O-N 2.89Å; T315-I417 CarbonylContact C-O 3.59Å; T315-I417 VanDerWaalsContact CA-O 3.28Å; T315-I417 WeakPolarHBondContact CA-O 3.48Å; T315-I417 HydrophobicContact CG2-CB 4.47Å; T315-I417 HydrophobicContact CG2-CG2 4.18Å; A316-I417 PolarHBondContact N-O 2.98Å; V400-I417 HydrophobicContact CB-CG2 3.63Å; V400-I417 HydrophobicContact CG1-CG2 3.59Å; V400-I417 HydrophobicContact CG2-CG2 3.81Å; C406-I417 HydrophobicContact CB-CD1 4.36Å; C406-I417 WeakPolarHBondContact O-CD1 3.46Å; Y407-I417 HydrophobicContact CD2-CG2 4.45Å; I411-I417 HydrophobicContact CD1-CD1 3.96Å; I411-I417 HydrophobicContact CD1-CG1 4.42Å
418	V	98.7	Very high	98.2	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.9	176.3	-174.6	0	0	0	0	109.9	A316 L318 L326 I396 I397 L416	A316-V418 WeakPolarHBondContact O-CA 3.43Å; L318-V418 HydrophobicContact CD1-CG1 3.77Å; L318-V418 HydrophobicContact CG-CG1 3.96Å; L326-V418 HydrophobicContact CD1-CB 4.36Å; L326-V418 HydrophobicContact CD1-CG1 4.14Å; L326-V418 HydrophobicContact CD1-CG2 3.86Å; L326-V418 HydrophobicContact CD2-CG1 4.38Å; I396-V418 HydrophobicContact CG2-CG2 3.87Å; I397-V418 PolarHBondContact O-N 2.79Å; L416-V418 HydrophobicContact CG-CG2 4.37Å
419	L	98.4	Very high	98.3	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	158.4	170.1	-68.4	161.6	0	0	0	109.1	T315 A316 I317 L318 V400 Y407	T315-L419 HydrophobicContact CG2-CD1 3.47Å; T315-L419 VanDerWaalsContact CG2-CD1 3.47Å; T315-L419 HydrophobicContact CG2-CG 4.1Å; A316-L419 PolarHBondContact O-N 3.26Å; I317-L419 WeakPolarHBondContact CA-O 3.44Å; I317-L419 HydrophobicContact CD1-CD1 4.48Å; I317-L419 HydrophobicContact CG1-CB 4Å; I317-L419 HydrophobicContact CG1-CD1 3.93Å; L318-L419 PolarHBondContact N-O 3.38Å; V400-L419 WeakPolarHBondContact O-CD2 3.45Å; Y407-L419 HydrophobicContact CD2-CD1 4.27Å; Y407-L419 HydrophobicContact CE2-CD1 3.68Å
420	E	98	Very high	98.4	Very high	101 Å²	101	32 Å²	32	47%	0.472	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.6	171.6	-60.9	-168.2	171.2	0	0	110.4	L318 R323	L318-E420 WeakPolarHBondContact O-CA 2.94Å; R323-E420 VanDerWaalsContact CD-OE2 3.22Å; R323-E420 WeakPolarHBondContact CD-OE2 3.45Å; R323-E420 HydrophobicContact CG-CB 4.34Å; R323-E420 HydrophobicContact CG-CG 3.94Å; R323-E420 IonicContact CZ-OE2 2.78Å; R323-E420 IonicContact NE-OE2 2.69Å; R323-E420 PolarHBondContact NE-OE2 2.75Å; R323-E420 IonicContact NH1-OE2 3.27Å; R323-E420 PolarHBondContact NH1-OE2 2.97Å
421	A	98.1	Very high	98.5	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.2	175.5	0	0	0	0	0	110.2	I317 L318 V319 G320 R323 D426 A427 L430	I317-A421 HydrophobicContact CG2-CB 3.6Å; L318-A421 PolarHBondContact O-N 3.27Å; L318-A421 VanDerWaalsContact O-N 3.1Å; V319-A421 WeakPolarHBondContact CA-O 3.23Å; V319-A421 HydrophobicContact CG2-CB 4.31Å; G320-A421 PolarHBondContact N-O 2.93Å; R323-A421 PolarHBondContact NH2-O 2.76Å; A421-D426 HydrophobicContact CB-CB 4.1Å; A421-A427 HydrophobicContact CB-CB 4.06Å; A421-L430 HydrophobicContact CB-CD1 4.31Å
422	D	98.1	Very high	98.5	Very high	126 Å²	126	32.2 Å²	32.2	67%	0.674	16%	0.162	S	C	*	.	S	Bend	trans	-81.2	-33.4	-179.9	-61.7	-43.8	0	0	0	111.3	R323 D426	R323-D422 IonicContact CZ-OD1 3.25Å; R323-D422 IonicContact NH1-OD1 3.42Å; R323-D422 IonicContact NH2-OD1 3.52Å; R323-D422 PolarHBondContact NH2-OD1 3.27Å; D422-D426 WeakPolarHBondContact CB-OD2 3.1Å; D422-D426 PolarHBondContact N-OD2 3.32Å
423	S	98.6	Very high	98.4	Very high	40 Å²	40	36.2 Å²	36.2	28%	0.28	19%	0.185	S	C	.	.	S	Bend	trans	-138.5	168.3	-178.6	69.4	0	0	0	0	113.1	D425 D426 A427	S423-D425 PolarHBondContact O-N 3.3Å; S423-D425 PolarHBondContact OG-N 2.77Å; S423-D426 WeakPolarHBondContact CB-OD2 3.44Å; S423-D426 PolarHBondContact N-OD2 3.13Å; S423-D426 PolarHBondContact O-N 3.02Å; S423-D426 PolarHBondContact OG-N 2.83Å; S423-D426 PolarHBondContact OG-OD1 2.86Å; S423-D426 PolarHBondContact OG-OD2 3.38Å; S423-A427 PolarHBondContact O-N 3.39Å; S423-A427 VanDerWaalsContact O-N 3.11Å
424	L	98.8	Very high	98.3	Very high	18 Å²	18	36.2 Å²	36.2	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-37.3	170.2	177.5	58.6	0	0	0	111.5	V284 M286 D426 A427 I428 I442 A449 K452 Y453	V284-L424 HydrophobicContact CG1-CD1 4.36Å; M286-L424 HydrophobicContact CE-CB 4Å; M286-L424 HydrophobicContact SD-CB 4.17Å; M286-L424 HydrophobicContact SD-CD1 3.97Å; L424-D426 PolarHBondContact O-N 3.06Å; L424-A427 PolarHBondContact O-N 2.92Å; L424-I428 HydrophobicContact CD1-CD1 4.09Å; L424-I428 HydrophobicContact CD1-CG1 4.2Å; L424-I428 HydrophobicContact CG-CD1 3.86Å; L424-I428 HydrophobicContact CG-CG1 4.43Å; L424-I428 WeakPolarHBondContact O-CG1 3.36Å; L424-I428 PolarHBondContact O-N 3.19Å; L424-I442 HydrophobicContact CD1-CD1 3.8Å; L424-A449 HydrophobicContact CD2-CB 3.99Å; L424-K452 HydrophobicContact CD2-CB 4.32Å; L424-K452 HydrophobicContact CD2-CD 4.13Å; L424-K452 HydrophobicContact CD2-CG 4.37Å; L424-Y453 HydrophobicContact CD1-CD2 3.9Å
425	D	98.8	Very high	98.2	Very high	62 Å²	62	40.2 Å²	40.2	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-40.7	178.7	-73.8	-53.6	0	0	0	112	S423 A427 I428 R429 K452	S423-D425 PolarHBondContact O-N 3.3Å; S423-D425 PolarHBondContact OG-N 2.77Å; D425-A427 VanDerWaalsContact C-N 3.34Å; D425-I428 PolarHBondContact O-N 3.47Å; D425-R429 VanDerWaalsContact C-NH1 3.31Å; D425-R429 WeakPolarHBondContact O-CG 3.31Å; D425-R429 PolarHBondContact O-N 2.67Å; D425-R429 PolarHBondContact O-NH1 2.85Å; D425-K452 WeakPolarHBondContact OD1-CE 3.4Å; D425-K452 IonicContact OD1-NZ 2.74Å; D425-K452 PolarHBondContact OD1-NZ 3.25Å; D425-K452 IonicContact OD2-NZ 3.93Å; D425-K452 PolarHBondContact OD2-NZ 3.17Å
426	D	98.4	Very high	98.1	Very high	37 Å²	37	41.3 Å²	41.3	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-41	176.2	-48.6	-39	0	0	0	110.7	A421 D422 S423 L424 R429 L430	A421-D426 HydrophobicContact CB-CB 4.1Å; D422-D426 WeakPolarHBondContact CB-OD2 3.1Å; D422-D426 PolarHBondContact N-OD2 3.32Å; S423-D426 WeakPolarHBondContact CB-OD2 3.44Å; S423-D426 PolarHBondContact N-OD2 3.13Å; S423-D426 PolarHBondContact O-N 3.02Å; S423-D426 PolarHBondContact OG-N 2.83Å; S423-D426 PolarHBondContact OG-OD1 2.86Å; S423-D426 PolarHBondContact OG-OD2 3.38Å; L424-D426 PolarHBondContact O-N 3.06Å; D426-R429 PolarHBondContact O-N 3.43Å; D426-R429 IonicContact OD1-CZ 3.5Å; D426-R429 VanDerWaalsContact OD1-CZ 3.26Å; D426-R429 IonicContact OD1-NH1 3.58Å; D426-R429 PolarHBondContact OD1-NH1 3.26Å; D426-R429 IonicContact OD1-NH2 2.76Å; D426-R429 PolarHBondContact OD1-NH2 3.08Å; D426-L430 WeakPolarHBondContact O-CG 3.27Å; D426-L430 PolarHBondContact O-N 3.13Å
427	A	98.7	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176.3	0	0	0	0	0	111.7	V284 I317 V319 A421 S423 L424 D425 R429 L430 V431	V284-A427 HydrophobicContact CG1-CB 3.67Å; V284-A427 HydrophobicContact CG2-CB 3.97Å; I317-A427 HydrophobicContact CG2-CB 3.89Å; V319-A427 HydrophobicContact CG2-CB 4.06Å; A421-A427 HydrophobicContact CB-CB 4.06Å; S423-A427 PolarHBondContact O-N 3.39Å; S423-A427 VanDerWaalsContact O-N 3.11Å; L424-A427 PolarHBondContact O-N 2.92Å; D425-A427 VanDerWaalsContact C-N 3.34Å; A427-R429 VanDerWaalsContact C-N 3.31Å; A427-R429 PolarHBondContact O-N 3.28Å; A427-L430 WeakPolarHBondContact O-CB 3.45Å; A427-L430 PolarHBondContact O-N 3.25Å; A427-L430 VanDerWaalsContact O-N 3.16Å; A427-V431 WeakPolarHBondContact O-CG2 3.35Å; A427-V431 PolarHBondContact O-N 2.87Å
428	I	98.8	Very high	97.9	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-44.1	175.2	-70.1	164.9	0	0	0	110.4	L424 D425 L430 V431 N432 K452 Y453 E456	L424-I428 HydrophobicContact CD1-CD1 4.09Å; L424-I428 HydrophobicContact CD1-CG1 4.2Å; L424-I428 HydrophobicContact CG-CD1 3.86Å; L424-I428 HydrophobicContact CG-CG1 4.43Å; L424-I428 WeakPolarHBondContact O-CG1 3.36Å; L424-I428 PolarHBondContact O-N 3.19Å; D425-I428 PolarHBondContact O-N 3.47Å; I428-L430 VanDerWaalsContact C-N 3.35Å; I428-L430 PolarHBondContact O-N 3.28Å; I428-V431 PolarHBondContact O-N 2.95Å; I428-N432 WeakPolarHBondContact O-CB 3.34Å; I428-N432 PolarHBondContact O-N 3.16Å; I428-K452 HydrophobicContact CD1-CG 4.42Å; I428-Y453 HydrophobicContact CD1-CD2 4.15Å; I428-Y453 HydrophobicContact CG1-CD2 3.6Å; I428-Y453 HydrophobicContact CG1-CE2 3.91Å; I428-E456 HydrophobicContact CD1-CB 4.22Å; I428-E456 HydrophobicContact CG2-CB 4.2Å
429	R	98.6	Very high	97.8	Very high	133 Å²	133	41.4 Å²	41.4	50%	0.502	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-40	176.6	-71.9	-166.3	-49.3	-85.6	12.3	112.6	D425 D426 A427 N432 N433	D425-R429 VanDerWaalsContact C-NH1 3.31Å; D425-R429 WeakPolarHBondContact O-CG 3.31Å; D425-R429 PolarHBondContact O-N 2.67Å; D425-R429 PolarHBondContact O-NH1 2.85Å; D426-R429 PolarHBondContact O-N 3.43Å; D426-R429 IonicContact OD1-CZ 3.5Å; D426-R429 VanDerWaalsContact OD1-CZ 3.26Å; D426-R429 IonicContact OD1-NH1 3.58Å; D426-R429 PolarHBondContact OD1-NH1 3.26Å; D426-R429 IonicContact OD1-NH2 2.76Å; D426-R429 PolarHBondContact OD1-NH2 3.08Å; A427-R429 VanDerWaalsContact C-N 3.31Å; A427-R429 PolarHBondContact O-N 3.28Å; R429-N432 PolarHBondContact O-N 2.91Å; R429-N433 VanDerWaalsContact O-CB 3.26Å; R429-N433 WeakPolarHBondContact O-CB 3.42Å; R429-N433 PolarHBondContact O-N 3.41Å; R429-N433 PolarHBondContact O-ND2 2.96Å; R429-N433 VanDerWaalsContact O-ND2 3.15Å
430	L	98.3	Very high	97.8	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-44	175.3	-72.8	169.8	0	0	0	111.8	I317 P402 A421 D426 A427 I428 N434	I317-L430 HydrophobicContact CD1-CB 4.02Å; I317-L430 HydrophobicContact CD1-CD1 4.37Å; I317-L430 HydrophobicContact CG2-CD1 4.31Å; P402-L430 HydrophobicContact CG-CD2 3.69Å; A421-L430 HydrophobicContact CB-CD1 4.31Å; D426-L430 WeakPolarHBondContact O-CG 3.27Å; D426-L430 PolarHBondContact O-N 3.13Å; A427-L430 WeakPolarHBondContact O-CB 3.45Å; A427-L430 PolarHBondContact O-N 3.25Å; A427-L430 VanDerWaalsContact O-N 3.16Å; I428-L430 VanDerWaalsContact C-N 3.35Å; I428-L430 PolarHBondContact O-N 3.28Å; L430-N434 PolarHBondContact O-N 3.32Å
431	V	98.4	Very high	97.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-68	-41.9	178.4	-179.4	0	0	0	0	111.7	H282 V284 I317 A427 I428 N434 V457 V459 R481	H282-V431 HydrophobicContact CB-CG2 3.63Å; V284-V431 HydrophobicContact CG2-CG2 4.17Å; I317-V431 HydrophobicContact CD1-CG2 3.69Å; A427-V431 WeakPolarHBondContact O-CG2 3.35Å; A427-V431 PolarHBondContact O-N 2.87Å; I428-V431 PolarHBondContact O-N 2.95Å; V431-N434 WeakPolarHBondContact O-CB 3.37Å; V431-N434 PolarHBondContact O-N 3.35Å; V431-V457 HydrophobicContact CB-CG2 4.12Å; V431-V457 HydrophobicContact CG1-CG2 3.52Å; V431-V459 HydrophobicContact CG1-CG2 3.94Å; V431-R481 PolarHBondContact O-NH2 3.33Å
432	N	98.4	Very high	97.9	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-72.5	-29.7	-179.2	-71.6	-2	0	0	0	112.4	I428 R429 N434 E456 V457 D458 R481	I428-N432 WeakPolarHBondContact O-CB 3.34Å; I428-N432 PolarHBondContact O-N 3.16Å; R429-N432 PolarHBondContact O-N 2.91Å; N432-N434 VanDerWaalsContact C-N 3.28Å; N432-N434 PolarHBondContact O-N 3.04Å; N432-E456 PolarHBondContact ND2-O 3.28Å; N432-V457 WeakPolarHBondContact OD1-CA 3.23Å; N432-D458 PolarHBondContact OD1-N 2.87Å; N432-R481 PolarHBondContact O-NH1 2.92Å
433	N	97.3	Very high	97.9	Very high	133 Å²	133	30.1 Å²	30.1	71%	0.711	16%	0.158	S	C	*	.	H	α-helix	trans	-74.8	-14.4	175.7	-74.4	-24.2	0	0	0	114	R429	R429-N433 VanDerWaalsContact O-CB 3.26Å; R429-N433 WeakPolarHBondContact O-CB 3.42Å; R429-N433 PolarHBondContact O-N 3.41Å; R429-N433 PolarHBondContact O-ND2 2.96Å; R429-N433 VanDerWaalsContact O-ND2 3.15Å
434	N	95.9	Very high	97.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	-69.1	133.7	171.4	177.4	40.1	0	0	0	110	K280 H282 L430 V431 N432 Y436 R481	K280-N434 PolarHBondContact O-ND2 2.91Å; H282-N434 PolarHBondContact CE1-ND2 3.44Å; L430-N434 PolarHBondContact O-N 3.32Å; V431-N434 WeakPolarHBondContact O-CB 3.37Å; V431-N434 PolarHBondContact O-N 3.35Å; N432-N434 VanDerWaalsContact C-N 3.28Å; N432-N434 PolarHBondContact O-N 3.04Å; N434-Y436 PolarHBondContact ND2-O 3.02Å; N434-Y436 PolarHBondContact O-N 3.45Å; N434-Y436 WeakPolarHBondContact OD1-CD2 3.35Å; N434-R481 PolarHBondContact O-NH1 3.43Å
435	P	95.3	Very high	97.9	Very high	84 Å²	84	32.5 Å²	32.5	55%	0.545	17%	0.172	S	C	.	.	S	Bend	trans	-66.1	-23.3	179.4	25.2	-36.3	0	0	0	113.8	G482	P435-G482 VanDerWaalsContact O-CA 3.3Å; P435-G482 WeakPolarHBondContact O-CA 3.46Å; P435-G482 PolarHBondContact O-N 3.25Å
436	Y	96.9	Very high	97.9	Very high	26 Å²	26	33.5 Å²	33.5	10%	0.102	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144	-178.9	-58.4	-72.9	0	0	0	112.3	N256 G278 K280 N434 R481 S483	N256-Y436 WeakPolarHBondContact ND2-CE1 3.34Å; N256-Y436 PolarHBondContact ND2-OH 3.21Å; G278-Y436 WeakPolarHBondContact O-CD1 3.43Å; K280-Y436 HydrophobicContact CB-CD2 3.56Å; K280-Y436 HydrophobicContact CB-CE2 4.21Å; K280-Y436 HydrophobicContact CB-CG 4.3Å; N434-Y436 PolarHBondContact ND2-O 3.02Å; N434-Y436 PolarHBondContact O-N 3.45Å; N434-Y436 WeakPolarHBondContact OD1-CD2 3.35Å; Y436-R481 PolarHBondContact O-NH2 3.3Å; Y436-S483 WeakPolarHBondContact CB-OG 3.45Å
437	G	95.8	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	31.7	-179	0	0	0	0	0	113	G460 S480 S483	G437-G460 PolarHBondContact O-N 3.14Å; G437-S480 CarbonylContact C-O 3.54Å; G437-S480 VanDerWaalsContact CA-O 3.31Å; G437-S480 WeakPolarHBondContact CA-O 3.38Å; G437-S480 PolarHBondContact N-O 2.97Å; G437-S480 PolarHBondContact O-N 2.99Å; G437-S480 PolarHBondContact O-OG 3.14Å; G437-S480 VanDerWaalsContact O-OG 3.08Å; G437-S483 PolarHBondContact N-OG 3.22Å
438	N	96.8	Very high	97.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	22%	0.223	C	C	.	.	S	Bend	trans	-71.6	-64.6	-175.6	-162.4	27.7	0	0	0	112.5	A279 C310 M311 Q461 F477 S483	A279-N438 HydrophobicContact CB-CB 3.56Å; C310-N438 PolarHBondContact O-ND2 3.19Å; M311-N438 PolarHBondContact SD-ND2 2.97Å; M311-N438 VanDerWaalsContact SD-ND2 3.43Å; N438-Q461 WeakPolarHBondContact O-CB 3.23Å; N438-Q461 PolarHBondContact O-NE2 2.91Å; N438-Q461 PolarHBondContact OD1-NE2 2.85Å; N438-F477 WeakPolarHBondContact OD1-CE1 3.19Å; N438-F477 VanDerWaalsContact OD1-CZ 3.29Å; N438-F477 WeakPolarHBondContact OD1-CZ 3.28Å; N438-S483 WeakPolarHBondContact CB-OG 3.34Å; N438-S483 PolarHBondContact N-OG 2.97Å
439	G	97.4	Very high	97.9	Very high	4 Å²	4	38 Å²	38	4%	0.041	23%	0.226	C	C	.	.			trans	-151.8	157	-179.1	0	0	0	0	0	113.2	N281 Q461	N281-G439 WeakPolarHBondContact CA-O 3.19Å; N281-G439 WeakPolarHBondContact CB-O 3.43Å; N281-G439 WeakPolarHBondContact OD1-CA 3.29Å; N281-G439 PolarHBondContact OD1-N 3.27Å; N281-G439 PolarHBondContact OD1-O 2.87Å; G439-Q461 CarbonylContact C-O 3.51Å; G439-Q461 VanDerWaalsContact CA-O 3.3Å; G439-Q461 WeakPolarHBondContact CA-O 3.32Å
440	T	98.7	Very high	97.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	160.2	176.6	-171	0	0	0	0	111.3	H282 Y453 V457 V459 Q461 I462 G463	H282-T440 CarbonylContact O-C 3.55Å; H282-T440 VanDerWaalsContact O-CA 3.31Å; H282-T440 WeakPolarHBondContact O-CA 3.39Å; H282-T440 PolarHBondContact O-OG1 3.05Å; T440-Y453 HydrophobicContact CG2-CE1 3.88Å; T440-Y453 PolarHBondContact OG1-OH 3.47Å; T440-V457 HydrophobicContact CG2-CG1 4.05Å; T440-V457 HydrophobicContact CG2-CG2 4.06Å; T440-V459 HydrophobicContact CG2-CB 3.75Å; T440-V459 HydrophobicContact CG2-CG1 3.83Å; T440-V459 HydrophobicContact CG2-CG2 4.06Å; T440-Q461 PolarHBondContact N-O 3.4Å; T440-I462 HydrophobicContact CG2-CB 4.44Å; T440-I462 HydrophobicContact CG2-CG1 4.08Å; T440-I462 HydrophobicContact CG2-CG2 4.26Å; T440-I462 CarbonylContact O-C 3.55Å; T440-I462 WeakPolarHBondContact O-CA 3.35Å; T440-G463 PolarHBondContact O-N 3.18Å
441	A	98.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.6	175.5	0	0	0	0	0	111.9	H282 G283 V284 L313 F443 G463 V466	H282-A441 PolarHBondContact O-N 2.98Å; G283-A441 CarbonylContact C-O 3.51Å; G283-A441 WeakPolarHBondContact CA-O 3.4Å; V284-A441 PolarHBondContact N-O 2.82Å; L313-A441 HydrophobicContact CD1-CB 4.26Å; A441-F443 HydrophobicContact CB-CE2 4.1Å; A441-F443 HydrophobicContact CB-CZ 4.33Å; A441-G463 CarbonylContact C-O 3.56Å; A441-G463 WeakPolarHBondContact CA-O 3.46Å; A441-V466 VanDerWaalsContact CB-O 3.29Å; A441-V466 WeakPolarHBondContact CB-O 3.36Å
442	I	98.9	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.5	163	-177.2	169.3	0	0	0	109.6	V284 M286 L424 T444 Y453 G463 V464 N465	V284-I442 HydrophobicContact CB-CG1 4.43Å; V284-I442 CarbonylContact O-C 3.38Å; V284-I442 WeakPolarHBondContact O-CA 3.5Å; M286-I442 HydrophobicContact CG-CD1 4.07Å; M286-I442 HydrophobicContact CG-CG1 4.21Å; L424-I442 HydrophobicContact CD1-CD1 3.8Å; I442-T444 HydrophobicContact CD1-CG2 4.11Å; I442-T444 HydrophobicContact CG1-CG2 4.05Å; I442-Y453 HydrophobicContact CB-CD1 3.56Å; I442-Y453 HydrophobicContact CB-CD2 4.35Å; I442-Y453 HydrophobicContact CB-CE1 3.86Å; I442-Y453 HydrophobicContact CB-CG 3.82Å; I442-Y453 HydrophobicContact CD1-CD1 4.41Å; I442-Y453 HydrophobicContact CD1-CD2 4.06Å; I442-Y453 HydrophobicContact CD1-CG 3.77Å; I442-Y453 HydrophobicContact CG1-CG 4.36Å; I442-Y453 HydrophobicContact CG2-CD1 3.44Å; I442-Y453 VanDerWaalsContact CG2-CD1 3.44Å; I442-Y453 HydrophobicContact CG2-CE1 4.09Å; I442-Y453 HydrophobicContact CG2-CG 3.88Å; I442-G463 PolarHBondContact N-O 3.2Å; I442-V464 HydrophobicContact CG2-CB 4.48Å; I442-V464 HydrophobicContact CG2-CG1 4.47Å; I442-V464 HydrophobicContact CG2-CG2 4.02Å; I442-V464 CarbonylContact O-C 3.52Å; I442-V464 WeakPolarHBondContact O-CA 3.31Å; I442-N465 PolarHBondContact O-N 2.78Å
443	F	98.9	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.4	172.8	-58.7	-89.4	0	0	0	109	V284 V285 M286 A289 T294 Q297 L298 A441 N465 P467	V284-F443 PolarHBondContact O-N 2.68Å; V285-F443 HydrophobicContact CG2-CD2 3.97Å; M286-F443 WeakPolarHBondContact CB-O 3.38Å; M286-F443 PolarHBondContact N-O 2.96Å; A289-F443 HydrophobicContact CB-CB 3.85Å; A289-F443 WeakPolarHBondContact CB-O 3.27Å; T294-F443 HydrophobicContact CG2-CB 3.84Å; T294-F443 HydrophobicContact CG2-CD1 3.8Å; T294-F443 HydrophobicContact CG2-CD2 3.95Å; T294-F443 HydrophobicContact CG2-CE1 4.35Å; T294-F443 HydrophobicContact CG2-CE2 4.47Å; T294-F443 HydrophobicContact CG2-CG 3.58Å; Q297-F443 HydrophobicContact CB-CE1 4.24Å; L298-F443 HydrophobicContact CD2-CE2 3.9Å; L298-F443 HydrophobicContact CD2-CZ 4.29Å; A441-F443 HydrophobicContact CB-CE2 4.1Å; A441-F443 HydrophobicContact CB-CZ 4.33Å; F443-N465 VanDerWaalsContact CA-OD1 3.3Å; F443-N465 WeakPolarHBondContact CA-OD1 3.43Å; F443-P467 HydrophobicContact CZ-CB 3.93Å
444	T	98.9	Very high	98.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	21%	0.213	C	C	.	.			trans	-168.4	154.9	-175.5	-174.3	0	0	0	0	110.1	D288 I442 N446 A449 A450 N465	D288-T444 VanDerWaalsContact CG-OG1 3.22Å; D288-T444 PolarHBondContact OD1-OG1 2.6Å; D288-T444 PolarHBondContact OD2-OG1 2.92Å; I442-T444 HydrophobicContact CD1-CG2 4.11Å; I442-T444 HydrophobicContact CG1-CG2 4.05Å; T444-N446 PolarHBondContact OG1-N 3.22Å; T444-N446 VanDerWaalsContact OG1-N 3.14Å; T444-A449 HydrophobicContact CG2-CB 4.33Å; T444-A450 HydrophobicContact CG2-CB 3.97Å; T444-N465 PolarHBondContact N-OD1 3.22Å; T444-N465 PolarHBondContact O-ND2 2.89Å; T444-N465 PolarHBondContact O-OD1 3.5Å
445	T	98.6	Very high	98.2	Very high	107 Å²	107	42.3 Å²	42.3	66%	0.656	24%	0.243	S	C	*	.	S	Bend	trans	-101.6	-6.6	167.9	58.3	0	0	0	0	112	D288	D288-T445 WeakPolarHBondContact O-CG2 3.27Å; D288-T445 PolarHBondContact O-OG1 3.1Å; D288-T445 WeakPolarHBondContact OD2-CA 3.5Å; D288-T445 PolarHBondContact OD2-N 3.41Å; D288-T445 PolarHBondContact OD2-OG1 3.45Å; D288-T445 VanDerWaalsContact OD2-OG1 3.06Å
446	N	98.7	Very high	98.3	Very high	82 Å²	82	42.2 Å²	42.2	44%	0.439	24%	0.235	S	C	.	.			trans	-85.8	113.7	179	-172.9	-45.8	0	0	0	112.2	D288 T444 A448 A449 A450	D288-N446 VanDerWaalsContact OD2-CB 3.28Å; D288-N446 WeakPolarHBondContact OD2-CB 3.21Å; D288-N446 PolarHBondContact OD2-N 2.86Å; T444-N446 PolarHBondContact OG1-N 3.22Å; T444-N446 VanDerWaalsContact OG1-N 3.14Å; N446-A448 VanDerWaalsContact C-N 3.31Å; N446-A448 PolarHBondContact O-N 3.36Å; N446-A448 WeakPolarHBondContact OD1-CA 3.37Å; N446-A448 VanDerWaalsContact OD1-CB 3.29Å; N446-A448 WeakPolarHBondContact OD1-CB 3.46Å; N446-A448 PolarHBondContact OD1-N 3.16Å; N446-A449 HydrophobicContact CB-CB 4Å; N446-A449 PolarHBondContact O-N 3.37Å; N446-A449 PolarHBondContact OD1-N 3.38Å; N446-A450 PolarHBondContact O-N 3.35Å
447	G	98.8	Very high	98.4	Very high	55 Å²	55	41.5 Å²	41.5	57%	0.567	23%	0.233	S	C	*	.	H	α-helix	trans	-62.4	-31.2	178.4	0	0	0	0	0	114.6	R451	G447-R451 VanDerWaalsContact O-CB 3.25Å; G447-R451 WeakPolarHBondContact O-CB 3.35Å; G447-R451 PolarHBondContact O-N 3.35Å
448	A	98.7	Very high	98.4	Very high	72 Å²	72	45.8 Å²	45.8	60%	0.595	26%	0.256	S	S	*	.	H	α-helix	trans	-70.9	-40.4	176.6	0	0	0	0	0	111.5	N446 R451 K452	N446-A448 VanDerWaalsContact C-N 3.31Å; N446-A448 PolarHBondContact O-N 3.36Å; N446-A448 WeakPolarHBondContact OD1-CA 3.37Å; N446-A448 VanDerWaalsContact OD1-CB 3.29Å; N446-A448 WeakPolarHBondContact OD1-CB 3.46Å; N446-A448 PolarHBondContact OD1-N 3.16Å; A448-R451 PolarHBondContact O-N 2.97Å; A448-K452 VanDerWaalsContact O-CB 3.29Å; A448-K452 WeakPolarHBondContact O-CB 3.46Å; A448-K452 PolarHBondContact O-N 3.28Å
449	A	98.8	Very high	98.4	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-47.6	174	0	0	0	0	0	111.3	L424 T444 N446 R451 K452 Y453	L424-A449 HydrophobicContact CD2-CB 3.99Å; T444-A449 HydrophobicContact CG2-CB 4.33Å; N446-A449 HydrophobicContact CB-CB 4Å; N446-A449 PolarHBondContact O-N 3.37Å; N446-A449 PolarHBondContact OD1-N 3.38Å; A449-R451 VanDerWaalsContact C-N 3.35Å; A449-R451 PolarHBondContact O-N 3.23Å; A449-K452 PolarHBondContact O-N 2.94Å; A449-Y453 WeakPolarHBondContact O-CB 3.44Å; A449-Y453 PolarHBondContact O-N 3.3Å
450	A	98.8	Very high	98.2	Very high	14 Å²	14	47.7 Å²	47.7	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-46.9	175.9	0	0	0	0	0	111.6	T444 N446 Y453 T454 V464	T444-A450 HydrophobicContact CG2-CB 3.97Å; N446-A450 PolarHBondContact O-N 3.35Å; A450-Y453 PolarHBondContact O-N 2.87Å; A450-T454 VanDerWaalsContact O-CG2 3.3Å; A450-T454 WeakPolarHBondContact O-CG2 3.36Å; A450-T454 PolarHBondContact O-N 3.27Å; A450-T454 PolarHBondContact O-OG1 3.41Å; A450-T454 VanDerWaalsContact O-OG1 3.14Å; A450-V464 HydrophobicContact CB-CG1 3.82Å; A450-V464 HydrophobicContact CB-CG2 4.34Å
451	R	98.7	Very high	98.1	Very high	165 Å²	165	47.9 Å²	47.9	62%	0.623	27%	0.274	S	S	*	.	H	α-helix	trans	-65.1	-41.6	179.1	-177.7	174.5	173.2	16.5	-2.3	112.8	G447 A448 A449 T454 H455	G447-R451 VanDerWaalsContact O-CB 3.25Å; G447-R451 WeakPolarHBondContact O-CB 3.35Å; G447-R451 PolarHBondContact O-N 3.35Å; A448-R451 PolarHBondContact O-N 2.97Å; A449-R451 VanDerWaalsContact C-N 3.35Å; A449-R451 PolarHBondContact O-N 3.23Å; R451-T454 PolarHBondContact O-OG1 2.87Å; R451-T454 VanDerWaalsContact O-OG1 3.09Å; R451-H455 VanDerWaalsContact O-CB 3.31Å; R451-H455 WeakPolarHBondContact O-CB 3.27Å; R451-H455 PolarHBondContact O-N 3.36Å; R451-H455 VanDerWaalsContact O-N 3.15Å
452	K	98.8	Very high	98	Very high	66 Å²	66	50.6 Å²	50.6	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176.5	-179.4	171.8	177.6	175.6	0	109.9	L424 D425 I428 A448 A449 T454 H455 E456	L424-K452 HydrophobicContact CD2-CB 4.32Å; L424-K452 HydrophobicContact CD2-CD 4.13Å; L424-K452 HydrophobicContact CD2-CG 4.37Å; D425-K452 WeakPolarHBondContact OD1-CE 3.4Å; D425-K452 IonicContact OD1-NZ 2.74Å; D425-K452 PolarHBondContact OD1-NZ 3.25Å; D425-K452 IonicContact OD2-NZ 3.93Å; D425-K452 PolarHBondContact OD2-NZ 3.17Å; I428-K452 HydrophobicContact CD1-CG 4.42Å; A448-K452 VanDerWaalsContact O-CB 3.29Å; A448-K452 WeakPolarHBondContact O-CB 3.46Å; A448-K452 PolarHBondContact O-N 3.28Å; A449-K452 PolarHBondContact O-N 2.94Å; K452-T454 PolarHBondContact O-N 3.32Å; K452-H455 PolarHBondContact O-N 3.01Å; K452-E456 VanDerWaalsContact CE-OE1 3.24Å; K452-E456 WeakPolarHBondContact CE-OE1 3.43Å; K452-E456 WeakPolarHBondContact CE-OE2 3.49Å; K452-E456 HydrophobicContact CG-CG 4.4Å; K452-E456 WeakPolarHBondContact CG-OE1 3.36Å; K452-E456 WeakPolarHBondContact O-CB 3.41Å; K452-E456 PolarHBondContact O-N 3.13Å
453	Y	98.8	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-50	178.6	-168.9	-101.2	0	0	0	112.4	V284 L424 I428 T440 I442 A449 A450 H455 E456 V457 I462	V284-Y453 HydrophobicContact CB-CE2 4.26Å; V284-Y453 HydrophobicContact CG2-CE2 3.7Å; L424-Y453 HydrophobicContact CD1-CD2 3.9Å; I428-Y453 HydrophobicContact CD1-CD2 4.15Å; I428-Y453 HydrophobicContact CG1-CD2 3.6Å; I428-Y453 HydrophobicContact CG1-CE2 3.91Å; T440-Y453 HydrophobicContact CG2-CE1 3.88Å; T440-Y453 PolarHBondContact OG1-OH 3.47Å; I442-Y453 HydrophobicContact CB-CD1 3.56Å; I442-Y453 HydrophobicContact CB-CD2 4.35Å; I442-Y453 HydrophobicContact CB-CE1 3.86Å; I442-Y453 HydrophobicContact CB-CG 3.82Å; I442-Y453 HydrophobicContact CD1-CD1 4.41Å; I442-Y453 HydrophobicContact CD1-CD2 4.06Å; I442-Y453 HydrophobicContact CD1-CG 3.77Å; I442-Y453 HydrophobicContact CG1-CG 4.36Å; I442-Y453 HydrophobicContact CG2-CD1 3.44Å; I442-Y453 VanDerWaalsContact CG2-CD1 3.44Å; I442-Y453 HydrophobicContact CG2-CE1 4.09Å; I442-Y453 HydrophobicContact CG2-CG 3.88Å; A449-Y453 WeakPolarHBondContact O-CB 3.44Å; A449-Y453 PolarHBondContact O-N 3.3Å; A450-Y453 PolarHBondContact O-N 2.87Å; Y453-H455 PolarHBondContact O-N 3.14Å; Y453-E456 PolarHBondContact O-N 3.21Å; Y453-V457 HydrophobicContact CD1-CG1 4.16Å; Y453-V457 HydrophobicContact CE1-CB 4.26Å; Y453-V457 HydrophobicContact CE1-CG1 3.99Å; Y453-V457 HydrophobicContact CE1-CG2 4.35Å; Y453-V457 HydrophobicContact CE2-CB 4.3Å; Y453-V457 HydrophobicContact CE2-CG2 4.22Å; Y453-V457 VanDerWaalsContact O-CB 3.3Å; Y453-V457 WeakPolarHBondContact O-CB 3.49Å; Y453-V457 WeakPolarHBondContact O-CG1 3.34Å; Y453-V457 PolarHBondContact O-N 3.42Å; Y453-I462 HydrophobicContact CD1-CG2 4.05Å; Y453-I462 HydrophobicContact CE1-CG2 4.08Å
454	T	98.4	Very high	98	Very high	59 Å²	59	53.6 Å²	53.6	36%	0.362	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-23.7	-179.7	56.4	0	0	0	0	113.4	A450 R451 K452 I462 V464	A450-T454 VanDerWaalsContact O-CG2 3.3Å; A450-T454 WeakPolarHBondContact O-CG2 3.36Å; A450-T454 PolarHBondContact O-N 3.27Å; A450-T454 PolarHBondContact O-OG1 3.41Å; A450-T454 VanDerWaalsContact O-OG1 3.14Å; R451-T454 PolarHBondContact O-OG1 2.87Å; R451-T454 VanDerWaalsContact O-OG1 3.09Å; K452-T454 PolarHBondContact O-N 3.32Å; T454-I462 HydrophobicContact CG2-CG2 3.89Å; T454-V464 HydrophobicContact CG2-CG2 3.76Å
455	H	98.3	Very high	98	Very high	139 Å²	139	56.1 Å²	56.1	64%	0.644	32%	0.321	S	S	*	.	H	α-helix	trans	-86.3	-36.9	178.5	-173.3	55.4	0	0	0	113.3	R451 K452 Y453	R451-H455 VanDerWaalsContact O-CB 3.31Å; R451-H455 WeakPolarHBondContact O-CB 3.27Å; R451-H455 PolarHBondContact O-N 3.36Å; R451-H455 VanDerWaalsContact O-N 3.15Å; K452-H455 PolarHBondContact O-N 3.01Å; Y453-H455 PolarHBondContact O-N 3.14Å
456	E	98.6	Very high	98	Very high	82 Å²	82	54.2 Å²	54.2	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-101.1	-19.7	-169.8	-66.6	-179.6	-164.5	0	0	114.1	I428 N432 K452 Y453	I428-E456 HydrophobicContact CD1-CB 4.22Å; I428-E456 HydrophobicContact CG2-CB 4.2Å; N432-E456 PolarHBondContact ND2-O 3.28Å; K452-E456 VanDerWaalsContact CE-OE1 3.24Å; K452-E456 WeakPolarHBondContact CE-OE1 3.43Å; K452-E456 WeakPolarHBondContact CE-OE2 3.49Å; K452-E456 HydrophobicContact CG-CG 4.4Å; K452-E456 WeakPolarHBondContact CG-OE1 3.36Å; K452-E456 WeakPolarHBondContact O-CB 3.41Å; K452-E456 PolarHBondContact O-N 3.13Å; Y453-E456 PolarHBondContact O-N 3.21Å
457	V	98.2	Very high	97.9	Very high	11 Å²	11	51 Å²	51	7%	0.067	29%	0.292	C	S	.	.			trans	-75.2	130.2	177.7	79.6	0	0	0	0	110.7	V431 N432 T440 Y453 V459 I462	V431-V457 HydrophobicContact CB-CG2 4.12Å; V431-V457 HydrophobicContact CG1-CG2 3.52Å; N432-V457 WeakPolarHBondContact OD1-CA 3.23Å; T440-V457 HydrophobicContact CG2-CG1 4.05Å; T440-V457 HydrophobicContact CG2-CG2 4.06Å; Y453-V457 HydrophobicContact CD1-CG1 4.16Å; Y453-V457 HydrophobicContact CE1-CB 4.26Å; Y453-V457 HydrophobicContact CE1-CG1 3.99Å; Y453-V457 HydrophobicContact CE1-CG2 4.35Å; Y453-V457 HydrophobicContact CE2-CB 4.3Å; Y453-V457 HydrophobicContact CE2-CG2 4.22Å; Y453-V457 VanDerWaalsContact O-CB 3.3Å; Y453-V457 WeakPolarHBondContact O-CB 3.49Å; Y453-V457 WeakPolarHBondContact O-CG1 3.34Å; Y453-V457 PolarHBondContact O-N 3.42Å; V457-V459 VanDerWaalsContact C-N 3.34Å; V457-V459 HydrophobicContact CG2-CB 4.48Å; V457-V459 HydrophobicContact CG2-CG2 4.08Å; V457-V459 PolarHBondContact O-N 3.15Å; V457-I462 HydrophobicContact CG1-CD1 3.44Å; V457-I462 VanDerWaalsContact CG1-CD1 3.44Å; V457-I462 HydrophobicContact CG1-CG1 3.79Å; V457-I462 HydrophobicContact CG1-CG2 4.35Å
458	D	96.8	Very high	97.8	Very high	89 Å²	89	50.6 Å²	50.6	48%	0.476	28%	0.277	S	S	.	.			trans	-92	63.6	-178.1	-174.5	8.4	0	0	0	110.4	N432 R481	N432-D458 PolarHBondContact OD1-N 2.87Å; D458-R481 PolarHBondContact O-NE 3.18Å; D458-R481 PolarHBondContact O-NH2 3.14Å; D458-R481 WeakPolarHBondContact OD2-CD 3.48Å; D458-R481 IonicContact OD2-NE 2.71Å
459	V	96.9	Very high	97.7	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.079	25%	0.254	C	S	.	.			trans	-139.6	134.6	-178.9	176	0	0	0	0	108.8	V431 T440 V457 Q461 I462	V431-V459 HydrophobicContact CG1-CG2 3.94Å; T440-V459 HydrophobicContact CG2-CB 3.75Å; T440-V459 HydrophobicContact CG2-CG1 3.83Å; T440-V459 HydrophobicContact CG2-CG2 4.06Å; V457-V459 VanDerWaalsContact C-N 3.34Å; V457-V459 HydrophobicContact CG2-CB 4.48Å; V457-V459 HydrophobicContact CG2-CG2 4.08Å; V457-V459 PolarHBondContact O-N 3.15Å; V459-Q461 VanDerWaalsContact C-N 3.32Å; V459-Q461 PolarHBondContact O-N 3.32Å; V459-I462 WeakPolarHBondContact O-CG1 3.33Å
460	G	91.7	Very high	97.5	Very high	33 Å²	33	49.1 Å²	49.1	34%	0.34	26%	0.259	S	S	.	.	S	Bend	trans	-77.6	-11.5	-171.1	0	0	0	0	0	115.6	G437 T478 S480	G437-G460 PolarHBondContact O-N 3.14Å; G460-T478 CarbonylContact C-O 3.49Å; G460-T478 VanDerWaalsContact C-O 3.26Å; G460-T478 WeakPolarHBondContact CA-O 3.24Å; G460-T478 PolarHBondContact O-OG1 3.38Å; G460-S480 PolarHBondContact N-OG 2.72Å
461	Q	96.4	Very high	97.3	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.019	26%	0.261	C	S	.	.	S	Bend	trans	-130.6	114.8	175.6	-56.6	174.2	119.9	0	0	110.2	M311 N438 G439 T440 V459 P469 P471 F477 T478	M311-Q461 HydrophobicContact CE-CB 4.49Å; M311-Q461 PolarHBondContact SD-NE2 3.24Å; N438-Q461 WeakPolarHBondContact O-CB 3.23Å; N438-Q461 PolarHBondContact O-NE2 2.91Å; N438-Q461 PolarHBondContact OD1-NE2 2.85Å; G439-Q461 CarbonylContact C-O 3.51Å; G439-Q461 VanDerWaalsContact CA-O 3.3Å; G439-Q461 WeakPolarHBondContact CA-O 3.32Å; T440-Q461 PolarHBondContact N-O 3.4Å; V459-Q461 VanDerWaalsContact C-N 3.32Å; V459-Q461 PolarHBondContact O-N 3.32Å; Q461-P469 HydrophobicContact CB-CG 4.39Å; Q461-P471 HydrophobicContact CG-CG 4.21Å; Q461-P471 VanDerWaalsContact OE1-CG 3.31Å; Q461-F477 VanDerWaalsContact NE2-CZ 3.31Å; Q461-T478 WeakPolarHBondContact CG-OG1 3.44Å
462	I	98.4	Very high	97	Very high	57 Å²	57	45.7 Å²	45.7	29%	0.292	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125	-171.4	-52.6	165.6	0	0	0	110	T440 Y453 T454 V457 V459	T440-I462 HydrophobicContact CG2-CB 4.44Å; T440-I462 HydrophobicContact CG2-CG1 4.08Å; T440-I462 HydrophobicContact CG2-CG2 4.26Å; T440-I462 CarbonylContact O-C 3.55Å; T440-I462 WeakPolarHBondContact O-CA 3.35Å; Y453-I462 HydrophobicContact CD1-CG2 4.05Å; Y453-I462 HydrophobicContact CE1-CG2 4.08Å; T454-I462 HydrophobicContact CG2-CG2 3.89Å; V457-I462 HydrophobicContact CG1-CD1 3.44Å; V457-I462 VanDerWaalsContact CG1-CD1 3.44Å; V457-I462 HydrophobicContact CG1-CG1 3.79Å; V457-I462 HydrophobicContact CG1-CG2 4.35Å; V459-I462 WeakPolarHBondContact O-CG1 3.33Å
463	G	98.4	Very high	96.8	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.1	172.8	0	0	0	0	0	112	T440 A441 I442 V466	T440-G463 PolarHBondContact O-N 3.18Å; A441-G463 CarbonylContact C-O 3.56Å; A441-G463 WeakPolarHBondContact CA-O 3.46Å; I442-G463 PolarHBondContact N-O 3.2Å; G463-V466 WeakPolarHBondContact CA-O 3.28Å
464	V	98.7	Very high	96.5	Very high	60 Å²	60	48 Å²	48	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112	166.5	-179.7	0	0	0	0	106.9	I442 A450 T454 V466	I442-V464 HydrophobicContact CG2-CB 4.48Å; I442-V464 HydrophobicContact CG2-CG1 4.47Å; I442-V464 HydrophobicContact CG2-CG2 4.02Å; I442-V464 CarbonylContact O-C 3.52Å; I442-V464 WeakPolarHBondContact O-CA 3.31Å; A450-V464 HydrophobicContact CB-CG1 3.82Å; A450-V464 HydrophobicContact CB-CG2 4.34Å; T454-V464 HydrophobicContact CG2-CG2 3.76Å; V464-V466 PolarHBondContact O-N 2.96Å
465	N	98.5	Very high	96.4	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.294	28%	0.277	S	S	.	.	S	Bend	trans	58.8	23.9	-170.9	-57.7	-52.5	0	0	0	114.4	Q297 I442 F443 T444	Q297-N465 PolarHBondContact NE2-O 3.45Å; Q297-N465 PolarHBondContact OE1-O 2.9Å; I442-N465 PolarHBondContact O-N 2.78Å; F443-N465 VanDerWaalsContact CA-OD1 3.3Å; F443-N465 WeakPolarHBondContact CA-OD1 3.43Å; T444-N465 PolarHBondContact N-OD1 3.22Å; T444-N465 PolarHBondContact O-ND2 2.89Å; T444-N465 PolarHBondContact O-OD1 3.5Å
466	V	98.1	Very high	96.2	Very high	68 Å²	68	45.2 Å²	45.2	41%	0.412	25%	0.249	S	C	.	.			trans	-133.9	111	178.9	179.3	0	0	0	0	108.7	A441 G463 V464	A441-V466 VanDerWaalsContact CB-O 3.29Å; A441-V466 WeakPolarHBondContact CB-O 3.36Å; G463-V466 WeakPolarHBondContact CA-O 3.28Å; V464-V466 PolarHBondContact O-N 2.96Å
467	P	96.5	Very high	96.2	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.091	23%	0.231	C	C	.	.	S	Bend	trans	-72.3	-30.3	-174.1	27.1	-36.5	0	0	0	113.6	Q297 A301 L313 F443 P469	Q297-P467 HydrophobicContact CB-CG 3.97Å; Q297-P467 HydrophobicContact CG-CG 4.5Å; A301-P467 HydrophobicContact CB-CB 3.41Å; A301-P467 VanDerWaalsContact CB-CB 3.41Å; A301-P467 HydrophobicContact CB-CG 3.77Å; L313-P467 HydrophobicContact CD1-CB 4.41Å; L313-P467 WeakPolarHBondContact CD1-O 3.25Å; F443-P467 HydrophobicContact CZ-CB 3.93Å; P467-P469 VanDerWaalsContact C-CD 3.45Å; P467-P469 VanDerWaalsContact O-CD 3.25Å; P467-P469 WeakPolarHBondContact O-CD 3.39Å
468	I	96.7	Very high	96	Very high	47 Å²	47	42.7 Å²	42.7	24%	0.241	24%	0.239	C	C	.	.			trans	-117.1	81.7	-177.6	-62	-177.6	0	0	0	107	A301 M311 V470	A301-I468 HydrophobicContact CB-CD1 3.99Å; A301-I468 HydrophobicContact CB-CG1 3.84Å; M311-I468 HydrophobicContact CB-CG2 4.04Å; I468-V470 HydrophobicContact CG2-CB 4.49Å; I468-V470 HydrophobicContact CG2-CG2 3.52Å; I468-V470 PolarHBondContact O-N 3.33Å
469	P	96.4	Very high	95.8	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.123	22%	0.218	C	C	.	.			trans	-80.7	52.2	-177.4	35.4	-39.8	0	0	0	111.7	M311 Q461 P467 P471	M311-P469 HydrophobicContact CE-CG 3.79Å; Q461-P469 HydrophobicContact CB-CG 4.39Å; P467-P469 VanDerWaalsContact C-CD 3.45Å; P467-P469 VanDerWaalsContact O-CD 3.25Å; P467-P469 WeakPolarHBondContact O-CD 3.39Å; P469-P471 VanDerWaalsContact O-CD 3.23Å; P469-P471 WeakPolarHBondContact O-CD 3.42Å
470	V	95.3	Very high	95.7	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.2	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-67.9	119.3	176	-179.6	0	0	0	0	108.4	R133 M311 I468 F477	R133-V470 PolarHBondContact NH2-O 3.23Å; M311-V470 HydrophobicContact CB-CG2 4.15Å; M311-V470 HydrophobicContact CE-CG2 4.39Å; M311-V470 HydrophobicContact CG-CG2 3.82Å; I468-V470 HydrophobicContact CG2-CB 4.49Å; I468-V470 HydrophobicContact CG2-CG2 3.52Å; I468-V470 PolarHBondContact O-N 3.33Å; V470-F477 HydrophobicContact CG1-CD2 4.42Å
471	P	94.4	Very high	95.9	Very high	25 Å²	25	40.8 Å²	40.8	16%	0.162	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-60.5	149.2	-177.6	-26.3	37.6	0	0	0	112.1	R133 Q461 P469 F475 S476 Y491	R133-P471 PolarHBondContact NH2-O 2.84Å; Q461-P471 HydrophobicContact CG-CG 4.21Å; Q461-P471 VanDerWaalsContact OE1-CG 3.31Å; P469-P471 VanDerWaalsContact O-CD 3.23Å; P469-P471 WeakPolarHBondContact O-CD 3.42Å; P471-F475 HydrophobicContact CB-CB 3.9Å; P471-S476 WeakPolarHBondContact CB-O 3.37Å; P471-S476 VanDerWaalsContact CG-O 3.31Å; P471-S476 WeakPolarHBondContact CG-O 3.29Å; P471-Y491 PolarHBondContact O-OH 3.32Å
472	L	93.8	Very high	95.8	Very high	82 Å²	82	41.4 Å²	41.4	43%	0.429	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-68	156.6	170.3	-66.4	177.9	0	0	0	110.6	M474 F475	L472-M474 VanDerWaalsContact C-N 3.29Å; L472-M474 HydrophobicContact CB-CE 4.35Å; L472-M474 HydrophobicContact CB-SD 3.36Å; L472-M474 WeakPolarHBondContact CB-SD 3.42Å; L472-M474 HydrophobicContact CD1-CE 4.16Å; L472-M474 HydrophobicContact CD1-SD 4.18Å; L472-M474 HydrophobicContact CG-SD 4.43Å; L472-M474 PolarHBondContact O-N 3.48Å; L472-M474 VanDerWaalsContact O-N 3.13Å; L472-F475 HydrophobicContact CB-CD2 4.25Å; L472-F475 CarbonylContact O-C 3.5Å; L472-F475 WeakPolarHBondContact O-CA 3.21Å; L472-F475 WeakPolarHBondContact O-CB 3.18Å; L472-F475 PolarHBondContact O-N 3.28Å
473	P	92.7	Very high	95.8	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.078	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	-169.6	-29.5	38.7	0	0	0	117.9	Q136 V137 H140 F475 G492	Q136-P473 VanDerWaalsContact C-CG 3.49Å; Q136-P473 HydrophobicContact CB-CG 3.51Å; Q136-P473 WeakPolarHBondContact O-CB 3.36Å; Q136-P473 WeakPolarHBondContact O-CG 3.17Å; V137-P473 HydrophobicContact CG2-CB 3.99Å; V137-P473 HydrophobicContact CG2-CG 4.03Å; H140-P473 HydrophobicContact CB-CB 3.73Å; H140-P473 PolarHBondContact CD2-O 3.05Å; P473-F475 CarbonylContact C-O 3.6Å; P473-F475 VanDerWaalsContact O-O 3.05Å; P473-G492 WeakPolarHBondContact O-CA 3.43Å; P473-G492 PolarHBondContact O-N 2.99Å
474	M	93.3	Very high	95.7	Very high	104 Å²	104	39.5 Å²	39.5	51%	0.512	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.7	172.6	68.7	-73.3	-107.5	0	0	112.8	L472	L472-M474 VanDerWaalsContact C-N 3.29Å; L472-M474 HydrophobicContact CB-CE 4.35Å; L472-M474 HydrophobicContact CB-SD 3.36Å; L472-M474 WeakPolarHBondContact CB-SD 3.42Å; L472-M474 HydrophobicContact CD1-CE 4.16Å; L472-M474 HydrophobicContact CD1-SD 4.18Å; L472-M474 HydrophobicContact CG-SD 4.43Å; L472-M474 PolarHBondContact O-N 3.48Å; L472-M474 VanDerWaalsContact O-N 3.13Å
475	F	95.6	Very high	95.7	Very high	131 Å²	131	40.4 Å²	40.4	58%	0.575	21%	0.212	S	C	*	.	S	Bend	trans	-90.8	-171	163.6	-59.5	-89.4	0	0	0	109.2	P471 L472 P473 Y491 G492	P471-F475 HydrophobicContact CB-CB 3.9Å; L472-F475 HydrophobicContact CB-CD2 4.25Å; L472-F475 CarbonylContact O-C 3.5Å; L472-F475 WeakPolarHBondContact O-CA 3.21Å; L472-F475 WeakPolarHBondContact O-CB 3.18Å; L472-F475 PolarHBondContact O-N 3.28Å; P473-F475 CarbonylContact C-O 3.6Å; P473-F475 VanDerWaalsContact O-O 3.05Å; F475-Y491 WeakPolarHBondContact O-CD2 3.49Å; F475-Y491 VanDerWaalsContact O-CE2 3.32Å; F475-Y491 WeakPolarHBondContact O-CE2 3.32Å; F475-G492 VanDerWaalsContact O-CA 3.28Å; F475-G492 WeakPolarHBondContact O-CA 3.38Å
476	S	95.6	Very high	95.6	Very high	8 Å²	8	39.1 Å²	39.1	6%	0.056	21%	0.212	C	C	.	.			trans	-124.4	155.1	179.5	-63.1	0	0	0	0	110.1	P471 T478 F490 Y491 Q494	P471-S476 WeakPolarHBondContact CB-O 3.37Å; P471-S476 VanDerWaalsContact CG-O 3.31Å; P471-S476 WeakPolarHBondContact CG-O 3.29Å; S476-T478 PolarHBondContact O-N 3.16Å; S476-T478 VanDerWaalsContact O-N 3.14Å; S476-F490 VanDerWaalsContact CA-O 3.29Å; S476-F490 WeakPolarHBondContact CA-O 3.38Å; S476-F490 VanDerWaalsContact CB-O 3.27Å; S476-F490 WeakPolarHBondContact CB-O 3.36Å; S476-Y491 PolarHBondContact OG-O 2.97Å; S476-Q494 VanDerWaalsContact OG-CB 3.31Å; S476-Q494 WeakPolarHBondContact OG-CB 3.45Å; S476-Q494 WeakPolarHBondContact OG-CG 3.41Å; S476-Q494 PolarHBondContact OG-N 2.86Å
477	F	97	Very high	95.4	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-74.5	98.8	172.2	-169.1	-90.7	0	0	0	109.5	W187 N276 M311 N438 Q461 V470 G479 N489 F490 Y491	W187-F477 HydrophobicContact CH2-CB 4.45Å; W187-F477 AromaticContact CH2-CD2 3.46Å; W187-F477 HydrophobicContact CH2-CD2 3.46Å; W187-F477 VanDerWaalsContact CH2-CD2 3.46Å; W187-F477 AromaticContact CH2-CE2 3.85Å; W187-F477 HydrophobicContact CH2-CE2 3.85Å; W187-F477 HydrophobicContact CH2-CG 4.03Å; W187-F477 HydrophobicContact CZ2-CD2 4.42Å; W187-F477 HydrophobicContact CZ3-CB 4.18Å; W187-F477 HydrophobicContact CZ3-CD1 4.44Å; W187-F477 AromaticContact CZ3-CD2 3.81Å; W187-F477 HydrophobicContact CZ3-CD2 3.81Å; W187-F477 HydrophobicContact CZ3-CE2 4.3Å; W187-F477 AromaticContact CZ3-CG 3.89Å; W187-F477 HydrophobicContact CZ3-CG 3.89Å; N276-F477 WeakPolarHBondContact OD1-CD1 3.23Å; N276-F477 WeakPolarHBondContact OD1-CE1 3.38Å; M311-F477 HydrophobicContact CG-CE2 3.82Å; M311-F477 HydrophobicContact CG-CZ 3.87Å; M311-F477 HydrophobicContact SD-CE2 4.03Å; M311-F477 HydrophobicContact SD-CZ 3.77Å; N438-F477 WeakPolarHBondContact OD1-CE1 3.19Å; N438-F477 VanDerWaalsContact OD1-CZ 3.29Å; N438-F477 WeakPolarHBondContact OD1-CZ 3.28Å; Q461-F477 VanDerWaalsContact NE2-CZ 3.31Å; V470-F477 HydrophobicContact CG1-CD2 4.42Å; F477-G479 PolarHBondContact O-N 3.33Å; F477-N489 VanDerWaalsContact O-CB 3.24Å; F477-N489 WeakPolarHBondContact O-CB 3.44Å; F477-N489 PolarHBondContact O-OD1 3.42Å; F477-N489 VanDerWaalsContact O-OD1 3.13Å; F477-F490 HydrophobicContact CB-CB 4.21Å; F477-F490 PolarHBondContact N-O 2.89Å; F477-F490 VanDerWaalsContact N-O 3.17Å; F477-Y491 HydrophobicContact CB-CD1 4.44Å; F477-Y491 HydrophobicContact CB-CE1 3.51Å; F477-Y491 WeakPolarHBondContact CB-OH 3.41Å; F477-Y491 HydrophobicContact CG-CE1 4.49Å; F477-Y491 VanDerWaalsContact N-CZ 3.3Å; F477-Y491 PolarHBondContact N-OH 3.4Å
478	T	94.5	Very high	95.3	Very high	38 Å²	38	41.9 Å²	41.9	23%	0.233	22%	0.224	C	C	.	.			trans	-98.9	56.1	-166	46	0	0	0	0	112.9	G460 Q461 S476	G460-T478 CarbonylContact C-O 3.49Å; G460-T478 VanDerWaalsContact C-O 3.26Å; G460-T478 WeakPolarHBondContact CA-O 3.24Å; G460-T478 PolarHBondContact O-OG1 3.38Å; Q461-T478 WeakPolarHBondContact CG-OG1 3.44Å; S476-T478 PolarHBondContact O-N 3.16Å; S476-T478 VanDerWaalsContact O-N 3.14Å
479	G	93	Very high	95.3	Very high	4 Å²	4	40.4 Å²	40.4	4%	0.041	22%	0.216	C	C	.	.			trans	-58.8	147.2	168.4	0	0	0	0	0	111.2	F477 F484	F477-G479 PolarHBondContact O-N 3.33Å; G479-F484 VanDerWaalsContact O-CB 3.28Å; G479-F484 WeakPolarHBondContact O-CB 3.36Å
480	S	94.5	Very high	95.3	Very high	28 Å²	28	39.5 Å²	39.5	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	177	179.8	72.5	0	0	0	0	112.5	G437 G460 G482 S483	G437-S480 CarbonylContact C-O 3.54Å; G437-S480 VanDerWaalsContact CA-O 3.31Å; G437-S480 WeakPolarHBondContact CA-O 3.38Å; G437-S480 PolarHBondContact N-O 2.97Å; G437-S480 PolarHBondContact O-N 2.99Å; G437-S480 PolarHBondContact O-OG 3.14Å; G437-S480 VanDerWaalsContact O-OG 3.08Å; G460-S480 PolarHBondContact N-OG 2.72Å; S480-G482 PolarHBondContact O-N 3.21Å; S480-S483 WeakPolarHBondContact O-CB 3.5Å; S480-S483 PolarHBondContact O-N 3.05Å
481	R	95.1	Very high	95.3	Very high	63 Å²	63	38 Å²	38	24%	0.238	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.5	-130.5	174.9	-58	-170.3	-76	159	-0.6	112.8	V431 N432 N434 Y436 D458 S483 F484 R485	V431-R481 PolarHBondContact O-NH2 3.33Å; N432-R481 PolarHBondContact O-NH1 2.92Å; N434-R481 PolarHBondContact O-NH1 3.43Å; Y436-R481 PolarHBondContact O-NH2 3.3Å; D458-R481 PolarHBondContact O-NE 3.18Å; D458-R481 PolarHBondContact O-NH2 3.14Å; D458-R481 WeakPolarHBondContact OD2-CD 3.48Å; D458-R481 IonicContact OD2-NE 2.71Å; R481-S483 PolarHBondContact O-N 3.04Å; R481-S483 VanDerWaalsContact O-N 3.1Å; R481-F484 PolarHBondContact O-N 3.09Å; R481-R485 PolarHBondContact O-NH1 3.37Å
482	G	95.3	Very high	95.4	Very high	18 Å²	18	36.8 Å²	36.8	19%	0.186	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-10.7	178.4	0	0	0	0	0	114.8	M277 P435 S480	M277-G482 WeakPolarHBondContact CE-O 3.28Å; P435-G482 VanDerWaalsContact O-CA 3.3Å; P435-G482 WeakPolarHBondContact O-CA 3.46Å; P435-G482 PolarHBondContact O-N 3.25Å; S480-G482 PolarHBondContact O-N 3.21Å
483	S	97.6	Very high	95.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.3	-178.7	-61.6	0	0	0	0	114	M277 G278 Y436 G437 N438 S480 R481	M277-S483 PolarHBondContact N-O 3.16Å; G278-S483 WeakPolarHBondContact O-CB 3.45Å; G278-S483 PolarHBondContact O-OG 3.49Å; Y436-S483 WeakPolarHBondContact CB-OG 3.45Å; G437-S483 PolarHBondContact N-OG 3.22Å; N438-S483 WeakPolarHBondContact CB-OG 3.34Å; N438-S483 PolarHBondContact N-OG 2.97Å; S480-S483 WeakPolarHBondContact O-CB 3.5Å; S480-S483 PolarHBondContact O-N 3.05Å; R481-S483 PolarHBondContact O-N 3.04Å; R481-S483 VanDerWaalsContact O-N 3.1Å
484	F	98	Very high	95.6	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.083	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	143.7	-179.5	-176.7	-109.2	0	0	0	112.3	Q274 S275 G479 R481 G486 T488 F490	Q274-F484 HydrophobicContact CB-CE2 4.03Å; Q274-F484 HydrophobicContact CB-CZ 4.08Å; S275-F484 CarbonylContact O-C 3.53Å; S275-F484 WeakPolarHBondContact O-CA 3.22Å; S275-F484 WeakPolarHBondContact O-CD2 3.25Å; G479-F484 VanDerWaalsContact O-CB 3.28Å; G479-F484 WeakPolarHBondContact O-CB 3.36Å; R481-F484 PolarHBondContact O-N 3.09Å; F484-G486 WeakPolarHBondContact CE1-O 3.34Å; F484-T488 WeakPolarHBondContact CZ-O 3.4Å; F484-F490 HydrophobicContact CD2-CE2 4.06Å; F484-F490 HydrophobicContact CE2-CD2 4.45Å; F484-F490 AromaticContact CE2-CE2 3.69Å; F484-F490 HydrophobicContact CE2-CE2 3.69Å; F484-F490 HydrophobicContact CE2-CZ 4.45Å
485	R	97.9	Very high	95.8	Very high	80 Å²	80	36.6 Å²	36.6	30%	0.302	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.5	166.8	-61.8	-74.5	-178.6	-89	-4.6	109.2	E260 Y263 S275 M277 R481	E260-R485 IonicContact OE1-NH2 2.67Å; Y263-R485 HydrophobicContact CD1-CB 3.84Å; Y263-R485 HydrophobicContact CD1-CG 4.3Å; Y263-R485 HydrophobicContact CD2-CB 3.46Å; Y263-R485 VanDerWaalsContact CD2-CB 3.46Å; Y263-R485 HydrophobicContact CE1-CB 4.13Å; Y263-R485 HydrophobicContact CE2-CB 3.81Å; Y263-R485 HydrophobicContact CG-CB 3.48Å; Y263-R485 VanDerWaalsContact CG-CB 3.48Å; Y263-R485 HydrophobicContact CG-CG 4.24Å; S275-R485 PolarHBondContact N-O 3.2Å; S275-R485 PolarHBondContact O-N 3.3Å; M277-R485 HydrophobicContact CE-CG 3.62Å; M277-R485 HydrophobicContact SD-CG 4.05Å; R481-R485 PolarHBondContact O-NH1 3.37Å
486	G	96.1	Very high	95.9	Very high	28 Å²	28	30.6 Å²	30.6	29%	0.289	16%	0.16	S	C	.	.	S	Bend	trans	133.8	178	-172.3	0	0	0	0	0	110.9	F484	F484-G486 WeakPolarHBondContact CE1-O 3.34Å
487	D	93.3	Very high	96	Very high	130 Å²	130	34.7 Å²	34.7	70%	0.695	18%	0.178	S	C	*	.	S	Bend	trans	-110.8	-20.7	176.3	58.2	2.7	0	0	0	112.6
488	T	95.6	Very high	96.1	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.055	18%	0.178	C	C	.	.	S	Bend	trans	-125.1	119.7	-171.6	-44.5	0	0	0	0	109.5	Q274 F484 Q494 Q497 F498	Q274-T488 VanDerWaalsContact CB-O 3.26Å; Q274-T488 WeakPolarHBondContact CB-O 3.29Å; Q274-T488 PolarHBondContact OE1-O 3.35Å; F484-T488 WeakPolarHBondContact CZ-O 3.4Å; T488-Q494 HydrophobicContact CG2-CB 3.74Å; T488-Q494 WeakPolarHBondContact CG2-O 3.14Å; T488-Q497 HydrophobicContact CG2-CB 3.99Å; T488-F498 HydrophobicContact CG2-CB 3.75Å
489	N	96.1	Very high	96.3	Very high	16 Å²	16	32.9 Å²	32.9	9%	0.086	17%	0.167	C	C	.	.			trans	-82.8	176.6	-177.1	-70.9	-77.5	0	0	0	113.6	Q274 F477 Q494 G495	Q274-N489 PolarHBondContact OE1-O 3.23Å; F477-N489 VanDerWaalsContact O-CB 3.24Å; F477-N489 WeakPolarHBondContact O-CB 3.44Å; F477-N489 PolarHBondContact O-OD1 3.42Å; F477-N489 VanDerWaalsContact O-OD1 3.13Å; N489-Q494 HydrophobicContact CB-CB 4.33Å; N489-Q494 PolarHBondContact ND2-OE1 3.5Å; N489-Q494 CarbonylContact O-C 3.58Å; N489-Q494 WeakPolarHBondContact O-CB 3.43Å; N489-G495 PolarHBondContact O-N 3.49Å
490	F	96.6	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-74.3	144.6	-175.7	-56.9	-98.5	0	0	0	112.8	W187 M188 S251 F252 V253 Q274 N276 S476 F477 F484	W187-F490 HydrophobicContact CE3-CB 4.38Å; M188-F490 HydrophobicContact CE-CE1 4.37Å; S251-F490 VanDerWaalsContact OG-CE1 3.27Å; S251-F490 WeakPolarHBondContact OG-CE1 3.26Å; F252-F490 WeakPolarHBondContact O-CZ 3.45Å; V253-F490 HydrophobicContact CG2-CD1 4.17Å; V253-F490 HydrophobicContact CG2-CE1 3.57Å; V253-F490 HydrophobicContact CG2-CZ 3.88Å; Q274-F490 HydrophobicContact CB-CZ 4.31Å; Q274-F490 HydrophobicContact CG-CD1 4.45Å; Q274-F490 HydrophobicContact CG-CE1 3.92Å; Q274-F490 HydrophobicContact CG-CE2 4.47Å; Q274-F490 HydrophobicContact CG-CZ 3.89Å; N276-F490 HydrophobicContact CB-CD2 4.41Å; N276-F490 HydrophobicContact CB-CE2 3.53Å; N276-F490 HydrophobicContact CB-CZ 3.7Å; S476-F490 VanDerWaalsContact CA-O 3.29Å; S476-F490 WeakPolarHBondContact CA-O 3.38Å; S476-F490 VanDerWaalsContact CB-O 3.27Å; S476-F490 WeakPolarHBondContact CB-O 3.36Å; F477-F490 HydrophobicContact CB-CB 4.21Å; F477-F490 PolarHBondContact N-O 2.89Å; F477-F490 VanDerWaalsContact N-O 3.17Å; F484-F490 HydrophobicContact CD2-CE2 4.06Å; F484-F490 HydrophobicContact CE2-CD2 4.45Å; F484-F490 AromaticContact CE2-CE2 3.69Å; F484-F490 HydrophobicContact CE2-CE2 3.69Å; F484-F490 HydrophobicContact CE2-CZ 4.45Å
491	Y	96.3	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	18%	0.18	C	C	.	.	S	Bend	trans	46.5	-176.6	174.6	64.3	-107	0	0	0	114.9	V137 W187 P471 F475 S476 F477 G495	V137-Y491 HydrophobicContact CG2-CD1 4.34Å; V137-Y491 HydrophobicContact CG2-CG 4.2Å; W187-Y491 HydrophobicContact CB-CD1 3.96Å; W187-Y491 AromaticContact CD1-CD1 3.89Å; W187-Y491 AromaticContact CD2-CD1 3.55Å; W187-Y491 HydrophobicContact CD2-CD1 3.55Å; W187-Y491 AromaticContact CD2-CE1 3.45Å; W187-Y491 HydrophobicContact CD2-CE1 3.45Å; W187-Y491 VanDerWaalsContact CD2-CE1 3.45Å; W187-Y491 AromaticContact CE2-CD1 3.9Å; W187-Y491 AromaticContact CE2-CE1 3.43Å; W187-Y491 VanDerWaalsContact CE2-CE1 3.43Å; W187-Y491 AromaticContact CE3-CD1 3.99Å; W187-Y491 HydrophobicContact CE3-CD1 3.99Å; W187-Y491 AromaticContact CE3-CE1 3.72Å; W187-Y491 HydrophobicContact CE3-CE1 3.72Å; W187-Y491 AromaticContact CG-CD1 3.54Å; W187-Y491 HydrophobicContact CG-CD1 3.54Å; W187-Y491 AromaticContact CG-CE1 3.94Å; W187-Y491 HydrophobicContact CG-CE1 3.94Å; W187-Y491 AromaticContact CH2-CE1 3.97Å; W187-Y491 HydrophobicContact CH2-CE1 3.97Å; W187-Y491 AromaticContact CZ2-CE1 3.71Å; W187-Y491 HydrophobicContact CZ2-CE1 3.71Å; W187-Y491 AromaticContact CZ3-CE1 3.97Å; W187-Y491 HydrophobicContact CZ3-CE1 3.97Å; W187-Y491 AromaticContact NE1-CE1 3.89Å; P471-Y491 PolarHBondContact O-OH 3.32Å; F475-Y491 WeakPolarHBondContact O-CD2 3.49Å; F475-Y491 VanDerWaalsContact O-CE2 3.32Å; F475-Y491 WeakPolarHBondContact O-CE2 3.32Å; S476-Y491 PolarHBondContact OG-O 2.97Å; F477-Y491 HydrophobicContact CB-CD1 4.44Å; F477-Y491 HydrophobicContact CB-CE1 3.51Å; F477-Y491 WeakPolarHBondContact CB-OH 3.41Å; F477-Y491 HydrophobicContact CG-CE1 4.49Å; F477-Y491 VanDerWaalsContact N-CZ 3.3Å; F477-Y491 PolarHBondContact N-OH 3.4Å; Y491-G495 PolarHBondContact O-N 2.86Å
492	G	95.8	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	58	-152.6	-173.8	0	0	0	0	0	112.6	P473 F475 Q494 G495 I496	P473-G492 WeakPolarHBondContact O-CA 3.43Å; P473-G492 PolarHBondContact O-N 2.99Å; F475-G492 VanDerWaalsContact O-CA 3.28Å; F475-G492 WeakPolarHBondContact O-CA 3.38Å; G492-Q494 VanDerWaalsContact C-N 3.32Å; G492-Q494 PolarHBondContact O-N 3.27Å; G492-G495 PolarHBondContact O-N 3.44Å; G492-I496 WeakPolarHBondContact O-CG1 3.44Å; G492-I496 PolarHBondContact O-N 3.49Å; G492-I496 VanDerWaalsContact O-N 3.16Å
493	K	94.4	Very high	97	Very high	144 Å²	144	42.2 Å²	42.2	63%	0.626	21%	0.205	S	C	*	.	H	α-helix	trans	-62.9	-34.6	-179.9	-68	-175.6	178.7	-178.4	0	113.3	L147 I496 Q497	L147-K493 HydrophobicContact CD2-CG 4.38Å; K493-I496 PolarHBondContact O-N 2.83Å; K493-Q497 WeakPolarHBondContact O-CG 3.27Å; K493-Q497 PolarHBondContact O-N 3.12Å; K493-Q497 VanDerWaalsContact O-N 3.1Å
494	Q	96.7	Very high	97	Very high	49 Å²	49	46.6 Å²	46.6	23%	0.229	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-41.7	176.4	-62	-167.9	39.1	0	0	110.6	S476 T488 N489 G492 I496 Q497 F498	S476-Q494 VanDerWaalsContact OG-CB 3.31Å; S476-Q494 WeakPolarHBondContact OG-CB 3.45Å; S476-Q494 WeakPolarHBondContact OG-CG 3.41Å; S476-Q494 PolarHBondContact OG-N 2.86Å; T488-Q494 HydrophobicContact CG2-CB 3.74Å; T488-Q494 WeakPolarHBondContact CG2-O 3.14Å; N489-Q494 HydrophobicContact CB-CB 4.33Å; N489-Q494 PolarHBondContact ND2-OE1 3.5Å; N489-Q494 CarbonylContact O-C 3.58Å; N489-Q494 WeakPolarHBondContact O-CB 3.43Å; G492-Q494 VanDerWaalsContact C-N 3.32Å; G492-Q494 PolarHBondContact O-N 3.27Å; Q494-I496 VanDerWaalsContact C-N 3.28Å; Q494-I496 PolarHBondContact O-N 2.76Å; Q494-Q497 CarbonylContact O-C 3.44Å; Q494-Q497 WeakPolarHBondContact O-CA 3.46Å; Q494-Q497 WeakPolarHBondContact O-CB 3.45Å; Q494-Q497 PolarHBondContact O-N 2.84Å; Q494-F498 PolarHBondContact O-N 3.48Å
495	G	96.9	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-41.2	172.8	0	0	0	0	0	113	N489 Y491 G492 Q497 F498 Y499	N489-G495 PolarHBondContact O-N 3.49Å; Y491-G495 PolarHBondContact O-N 2.86Å; G492-G495 PolarHBondContact O-N 3.44Å; G495-Q497 PolarHBondContact O-N 3.39Å; G495-F498 PolarHBondContact O-N 3.31Å; G495-Y499 WeakPolarHBondContact O-CD2 3.43Å; G495-Y499 PolarHBondContact O-N 2.92Å
496	I	97.6	Very high	97	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-45.4	173.4	-59.8	-66.5	0	0	0	111	I144 L147 M148 M191 C195 G492 K493 Q494 F498 Y499 T500	I144-I496 HydrophobicContact CD1-CD1 3.68Å; L147-I496 HydrophobicContact CB-CD1 4.11Å; L147-I496 HydrophobicContact CB-CG1 4.08Å; L147-I496 HydrophobicContact CD1-CD1 4.09Å; L147-I496 HydrophobicContact CD1-CG1 4.18Å; M148-I496 HydrophobicContact SD-CG2 4.5Å; M191-I496 HydrophobicContact CE-CD1 3.44Å; M191-I496 VanDerWaalsContact CE-CD1 3.44Å; M191-I496 HydrophobicContact CE-CG1 3.81Å; C195-I496 VanDerWaalsContact SG-CD1 3.51Å; G492-I496 WeakPolarHBondContact O-CG1 3.44Å; G492-I496 PolarHBondContact O-N 3.49Å; G492-I496 VanDerWaalsContact O-N 3.16Å; K493-I496 PolarHBondContact O-N 2.83Å; Q494-I496 VanDerWaalsContact C-N 3.28Å; Q494-I496 PolarHBondContact O-N 2.76Å; I496-F498 VanDerWaalsContact C-N 3.33Å; I496-F498 PolarHBondContact O-N 3.03Å; I496-Y499 PolarHBondContact O-N 2.8Å; I496-T500 WeakPolarHBondContact O-CB 3.48Å; I496-T500 WeakPolarHBondContact O-CG2 3.33Å; I496-T500 PolarHBondContact O-N 3.27Å; I496-T500 PolarHBondContact O-OG1 2.89Å
497	Q	97.4	Very high	97.1	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.444	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-35.6	176.4	-68.6	173.7	-7.9	0	0	112.8	R272 T488 K493 Q494 G495	R272-Q497 PolarHBondContact NH1-O 3.5Å; R272-Q497 PolarHBondContact NH2-O 3.48Å; T488-Q497 HydrophobicContact CG2-CB 3.99Å; K493-Q497 WeakPolarHBondContact O-CG 3.27Å; K493-Q497 PolarHBondContact O-N 3.12Å; K493-Q497 VanDerWaalsContact O-N 3.1Å; Q494-Q497 CarbonylContact O-C 3.44Å; Q494-Q497 WeakPolarHBondContact O-CA 3.46Å; Q494-Q497 WeakPolarHBondContact O-CB 3.45Å; Q494-Q497 PolarHBondContact O-N 2.84Å; G495-Q497 PolarHBondContact O-N 3.39Å
498	F	98.6	Very high	97.1	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-40.6	178.8	-176.3	-103.8	0	0	0	112	A249 I250 R272 Q274 T488 Q494 G495 I496	A249-F498 HydrophobicContact CB-CE1 3.74Å; A249-F498 HydrophobicContact CB-CZ 3.75Å; I250-F498 WeakPolarHBondContact O-CZ 3.48Å; R272-F498 HydrophobicContact CB-CE2 3.87Å; R272-F498 HydrophobicContact CB-CZ 4.31Å; R272-F498 VanDerWaalsContact CZ-O 3.29Å; R272-F498 PolarHBondContact NH1-O 2.82Å; Q274-F498 HydrophobicContact CB-CD2 4.1Å; Q274-F498 HydrophobicContact CB-CE2 3.77Å; Q274-F498 HydrophobicContact CB-CZ 4.12Å; Q274-F498 HydrophobicContact CG-CD1 4.19Å; Q274-F498 HydrophobicContact CG-CD2 4.11Å; Q274-F498 HydrophobicContact CG-CE1 3.85Å; Q274-F498 HydrophobicContact CG-CE2 3.77Å; Q274-F498 HydrophobicContact CG-CG 4.31Å; Q274-F498 HydrophobicContact CG-CZ 3.64Å; Q274-F498 VanDerWaalsContact OE1-CG 3.23Å; T488-F498 HydrophobicContact CG2-CB 3.75Å; Q494-F498 PolarHBondContact O-N 3.48Å; G495-F498 PolarHBondContact O-N 3.31Å; I496-F498 VanDerWaalsContact C-N 3.33Å; I496-F498 PolarHBondContact O-N 3.03Å
499	Y	98.7	Very high	96.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	6.1	-176.3	-66.7	-54.9	0	0	0	114.7	C172 M188 M191 N197 Y199 S251 G495 I496	C172-Y499 HydrophobicContact CB-CD1 4.22Å; C172-Y499 HydrophobicContact CB-CE1 4.11Å; M188-Y499 PolarHBondContact O-OH 3.45Å; M191-Y499 HydrophobicContact CB-CD2 3.93Å; M191-Y499 HydrophobicContact CB-CE2 3.8Å; N197-Y499 PolarHBondContact ND2-O 2.81Å; Y199-Y499 AromaticContact CE2-CE1 3.78Å; Y199-Y499 HydrophobicContact CE2-CE1 3.78Å; Y199-Y499 AromaticContact CE2-CZ 3.96Å; Y199-Y499 PolarHBondContact OH-OH 3.42Å; S251-Y499 WeakPolarHBondContact CB-OH 3.22Å; G495-Y499 WeakPolarHBondContact O-CD2 3.43Å; G495-Y499 PolarHBondContact O-N 2.92Å; I496-Y499 PolarHBondContact O-N 2.8Å
500	T	98.6	Very high	96.5	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164.5	-179.6	63.1	0	0	0	0	112.3	M148 R166 L167 C195 R272 I496	M148-T500 HydrophobicContact CE-CG2 4.2Å; M148-T500 HydrophobicContact SD-CG2 3.87Å; R166-T500 WeakPolarHBondContact CD-OG1 3.19Å; R166-T500 HydrophobicContact CG-CG2 3.64Å; R166-T500 WeakPolarHBondContact CG-OG1 3.17Å; R166-T500 PolarHBondContact NH1-OG1 3Å; L167-T500 CarbonylContact O-C 3.53Å; L167-T500 WeakPolarHBondContact O-CA 3.46Å; L167-T500 VanDerWaalsContact O-CB 3.29Å; L167-T500 WeakPolarHBondContact O-CB 3.37Å; C195-T500 HydrophobicContact CB-CG2 3.78Å; R272-T500 PolarHBondContact NH1-O 3.11Å; I496-T500 WeakPolarHBondContact O-CB 3.48Å; I496-T500 WeakPolarHBondContact O-CG2 3.33Å; I496-T500 PolarHBondContact O-N 3.27Å; I496-T500 PolarHBondContact O-OG1 2.89Å
501	Q	98	Very high	95.9	Very high	106 Å²	106	58.1 Å²	58.1	50%	0.495	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.6	170.3	62	-176.1	-9.4	0	0	110.3	L167 I169	L167-Q501 HydrophobicContact CB-CG 4.25Å; L167-Q501 PolarHBondContact N-O 2.91Å; L167-Q501 PolarHBondContact O-N 2.94Å; I169-Q501 HydrophobicContact CG2-CB 3.93Å; I169-Q501 HydrophobicContact CG2-CG 3.98Å
502	I	98.3	Very high	95.2	Very high	87 Å²	87	63.2 Å²	63.2	45%	0.446	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	175.4	-60.8	-58	0	0	0	109.2	T164 Y165 R166	T164-I502 HydrophobicContact CG2-CG2 3.84Å; Y165-I502 WeakPolarHBondContact O-CA 3.13Å; R166-I502 HydrophobicContact CB-CD1 4.24Å; R166-I502 HydrophobicContact CG-CD1 4.36Å
503	K	98.3	Very high	94.4	Very high	113 Å²	113	67.3 Å²	67.3	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.3	167.3	-178.6	-178.2	-71.2	175.2	0	108	T164 Y165 L167 I505	T164-K503 CarbonylContact C-O 3.46Å; T164-K503 VanDerWaalsContact CA-O 3.27Å; T164-K503 WeakPolarHBondContact CA-O 3.32Å; Y165-K503 PolarHBondContact N-O 3.49Å; Y165-K503 PolarHBondContact O-N 2.99Å; L167-K503 HydrophobicContact CD1-CB 3.88Å; L167-K503 HydrophobicContact CD1-CD 3.93Å; K503-I505 HydrophobicContact CD-CD1 4.38Å; K503-I505 HydrophobicContact CG-CD1 4.05Å; K503-I505 WeakPolarHBondContact O-CD1 3.2Å
504	T	98.4	Very high	93.4	Very high	92 Å²	92	64.9 Å²	64.9	56%	0.564	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.3	177.8	-52.5	0	0	0	0	109.9	T162 T164	T162-T504 HydrophobicContact CG2-CG2 3.85Å; T164-T504 HydrophobicContact CG2-CG2 4.15Å
505	I	98.4	Very high	92.2	Very high	40 Å²	40	68.1 Å²	68.1	21%	0.205	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.8	179.3	-57.1	89.8	0	0	0	107.8	T162 Y163 Y165 K503	T162-I505 WeakPolarHBondContact CA-O 3.34Å; Y163-I505 HydrophobicContact CD2-CB 4.03Å; Y163-I505 HydrophobicContact CD2-CD1 4Å; Y163-I505 HydrophobicContact CD2-CG1 4.48Å; Y163-I505 HydrophobicContact CE1-CB 4.39Å; Y163-I505 HydrophobicContact CE1-CG2 4.21Å; Y163-I505 HydrophobicContact CE2-CB 3.57Å; Y163-I505 HydrophobicContact CE2-CD1 3.79Å; Y163-I505 HydrophobicContact CE2-CG1 3.93Å; Y163-I505 HydrophobicContact CE2-CG2 3.92Å; Y163-I505 PolarHBondContact N-O 3.46Å; Y163-I505 PolarHBondContact O-N 2.86Å; Y163-I505 WeakPolarHBondContact OH-CG2 3.29Å; Y165-I505 HydrophobicContact CD2-CD1 3.42Å; Y165-I505 VanDerWaalsContact CD2-CD1 3.42Å; Y165-I505 HydrophobicContact CE2-CD1 3.61Å; Y165-I505 HydrophobicContact CE2-CG1 4.45Å; Y165-I505 HydrophobicContact CG-CD1 4.12Å; K503-I505 HydrophobicContact CD-CD1 4.38Å; K503-I505 HydrophobicContact CG-CD1 4.05Å; K503-I505 WeakPolarHBondContact O-CD1 3.2Å
506	T	97.6	Very high	90.3	Very high	81 Å²	81	72.2 Å²	72.2	50%	0.497	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.7	164.8	-60.5	0	0	0	0	107.2	I156 M160 D161 T162	I156-T506 HydrophobicContact CD1-CG2 4.02Å; M160-T506 HydrophobicContact CE-CG2 3.72Å; M160-T506 HydrophobicContact CG-CG2 3.73Å; M160-T506 HydrophobicContact SD-CG2 3.66Å; D161-T506 WeakPolarHBondContact O-CA 3.41Å; T162-T506 PolarHBondContact OG1-OG1 3.24Å
507	S	96.7	Very high	88.3	Confident	22 Å²	22	82 Å²	82	15%	0.154	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.5	-169.1	-172.5	0	0	0	0	108.5	M160 D161 W509	M160-S507 VanDerWaalsContact CA-O 3.29Å; M160-S507 WeakPolarHBondContact CA-O 3.44Å; D161-S507 PolarHBondContact N-O 3.24Å; D161-S507 PolarHBondContact O-N 3.14Å; S507-W509 PolarHBondContact OG-NE1 3.26Å
508	Q	94.4	Very high	86.5	Confident	66 Å²	66	81.7 Å²	81.7	31%	0.308	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.4	176.3	-176.9	175.2	51.4	0	0	109.6	D159 M160 K510	D159-Q508 WeakPolarHBondContact O-CA 3.37Å; M160-Q508 HydrophobicContact CB-CB 4.18Å; M160-Q508 HydrophobicContact CB-CG 4.27Å; M160-Q508 HydrophobicContact CG-CB 3.97Å; M160-Q508 HydrophobicContact SD-CB 4.17Å; Q508-K510 HydrophobicContact CG-CG 4.29Å
509	W	91.4	Very high	84.6	Confident	199 Å²	199	87.4 Å²	87.4	75%	0.754	47%	0.473	S	S	*	.			trans	-136.6	90	175.8	-63.7	96.5	0	0	0	108.5	D159 S507 A511	D159-W509 WeakPolarHBondContact CB-O 3.46Å; D159-W509 PolarHBondContact O-N 3.02Å; S507-W509 PolarHBondContact OG-NE1 3.26Å; W509-A511 PolarHBondContact O-N 3.38Å
510	K	88.3	Confident	82.7	Confident	47 Å²	47	91 Å²	91	20%	0.204	50%	0.502	C	S	.	.			trans	-63.6	134.1	-175.4	-55	179.1	178	177.1	0	109.5	Q508 E512 D513	Q508-K510 HydrophobicContact CG-CG 4.29Å; K510-E512 HydrophobicContact CB-CG 3.8Å; K510-E512 HydrophobicContact CD-CG 4.3Å; K510-E512 WeakPolarHBondContact CD-OE1 3.45Å; K510-E512 IonicContact NZ-OE1 3.82Å; K510-E512 PolarHBondContact O-N 3.09Å; K510-E512 VanDerWaalsContact O-N 3.08Å; K510-D513 WeakPolarHBondContact CB-OD2 3.47Å; K510-D513 WeakPolarHBondContact O-CB 3.5Å; K510-D513 PolarHBondContact O-N 3.21Å
511	A	83.7	Confident	81.1	Confident	68 Å²	68	97.6 Å²	97.6	56%	0.562	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-57.5	-30.6	-179	0	0	0	0	0	112.7	D159 W509 D513 A514	D159-A511 PolarHBondContact OD2-N 2.82Å; D159-A511 VanDerWaalsContact OD2-N 3.09Å; W509-A511 PolarHBondContact O-N 3.38Å; A511-D513 VanDerWaalsContact C-N 3.34Å; A511-D513 PolarHBondContact O-N 3.47Å; A511-A514 WeakPolarHBondContact O-CB 3.49Å; A511-A514 PolarHBondContact O-N 3.21Å
512	E	81.1	Confident	79.3	Confident	109 Å²	109	97.9 Å²	97.9	51%	0.509	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-65.7	-29.5	176.6	57.6	-173	-172	0	0	114	K510 A514 T515 L516	K510-E512 HydrophobicContact CB-CG 3.8Å; K510-E512 HydrophobicContact CD-CG 4.3Å; K510-E512 WeakPolarHBondContact CD-OE1 3.45Å; K510-E512 IonicContact NZ-OE1 3.82Å; K510-E512 PolarHBondContact O-N 3.09Å; K510-E512 VanDerWaalsContact O-N 3.08Å; E512-A514 PolarHBondContact O-N 3.37Å; E512-T515 PolarHBondContact O-N 3.15Å; E512-T515 PolarHBondContact O-OG1 3.45Å; E512-L516 HydrophobicContact CB-CD1 4.12Å; E512-L516 HydrophobicContact CG-CD1 3.98Å; E512-L516 PolarHBondContact O-N 3.04Å
513	D	78.6	Confident	77.1	Confident	87 Å²	87	101.6 Å²	101.6	47%	0.465	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-65.4	-22.1	-179.5	-65.4	-26.8	0	0	0	112.1	K510 A511 T515 L516	K510-D513 WeakPolarHBondContact CB-OD2 3.47Å; K510-D513 WeakPolarHBondContact O-CB 3.5Å; K510-D513 PolarHBondContact O-N 3.21Å; A511-D513 VanDerWaalsContact C-N 3.34Å; A511-D513 PolarHBondContact O-N 3.47Å; D513-T515 PolarHBondContact O-N 2.97Å; D513-T515 VanDerWaalsContact O-N 3.15Å; D513-L516 WeakPolarHBondContact OD1-CD1 3.38Å
514	A	73.2	Confident	75.1	Confident	92 Å²	92	99.3 Å²	99.3	76%	0.76	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-65.5	-13.8	174.3	0	0	0	0	0	113.4	A511 E512	A511-A514 WeakPolarHBondContact O-CB 3.49Å; A511-A514 PolarHBondContact O-N 3.21Å; E512-A514 PolarHBondContact O-N 3.37Å
515	T	71.3	Confident	73.3	Confident	117 Å²	117	100.9 Å²	100.9	72%	0.718	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	-3.2	-173.6	58.9	0	0	0	0	115.3	E512 D513 K517	E512-T515 PolarHBondContact O-N 3.15Å; E512-T515 PolarHBondContact O-OG1 3.45Å; D513-T515 PolarHBondContact O-N 2.97Å; D513-T515 VanDerWaalsContact O-N 3.15Å; T515-K517 PolarHBondContact O-N 3.2Å
516	L	57	Low	70.6	Confident	86 Å²	86	107.8 Å²	107.8	45%	0.45	61%	0.608	S	S	.	*			trans	-70.9	123.3	-178	-89.4	158	0	0	0	112.6	E512 D513	E512-L516 HydrophobicContact CB-CD1 4.12Å; E512-L516 HydrophobicContact CG-CD1 3.98Å; E512-L516 PolarHBondContact O-N 3.04Å; D513-L516 WeakPolarHBondContact OD1-CD1 3.38Å
517	K	57	Low	68.4	Low	212 Å²	212	105.9 Å²	105.9	92%	0.922	61%	0.605	S	S	*	*			trans	-99.3	-0.1	172.1	-70.7	-174.1	179.1	-180	0	114	T515	T515-K517 PolarHBondContact O-N 3.2Å
518	S	59.7	Low	65.5	Low	87 Å²	87	119.9 Å²	119.9	61%	0.608	65%	0.654	S	S	*	*	S	Bend	trans	-133.3	144.6	-176.5	-60.1	0	0	0	0	111.4
519	P	57.8	Low	64	Low	122 Å²	122	122.6 Å²	122.6	79%	0.792	67%	0.672	S	S	*	*			trans	-70	136.9	-173.2	25	-31.9	0	0	0	113.4
520	A	60.2	Low	62.6	Low	74 Å²	74	118.5 Å²	118.5	61%	0.612	67%	0.667	S	S	*	*			trans	-94.9	132.3	170.7	0	0	0	0	0	110.6
521	V	63.6	Low	61.2	Low	142 Å²	142	122.5 Å²	122.5	86%	0.861	69%	0.693	S	S	*	*			trans	-114.4	8.9	-174.5	-65.6	0	0	0	0	113.9
522	T	60.3	Low	59.8	Low	113 Å²	113	125.7 Å²	125.7	69%	0.693	70%	0.701	S	S	*	*	S	Bend	trans	-109.8	136.4	-176.7	43.3	0	0	0	0	112.5
523	M	52.7	Low	58.5	Low	165 Å²	165	126.8 Å²	126.8	81%	0.813	71%	0.713	S	S	*	*			trans	-67.9	142	178.7	-79.6	-72.2	-75.5	0	0	112	T525	M523-T525 PolarHBondContact O-N 3.08Å
524	P	55.3	Low	57.2	Low	65 Å²	65	129.4 Å²	129.4	42%	0.422	73%	0.729	S	S	.	*			trans	-64.6	132.2	174.6	-16.6	29.2	0	0	0	111.9
525	T	60.5	Low	56	Low	124 Å²	124	132.1 Å²	132.1	76%	0.761	73%	0.727	S	S	*	*			trans	-117.5	160.6	171.7	55.8	0	0	0	0	110.3	M523 G527	M523-T525 PolarHBondContact O-N 3.08Å; T525-G527 PolarHBondContact O-N 3.45Å
526	M	41.6	Very low	54.9	Low	185 Å²	185	133.2 Å²	133.2	91%	0.911	73%	0.728	S	S	*	*			trans	-60.7	98.6	173.4	-67.3	-162.1	-73.3	0	0	110.1
527	G	51.9	Low	54.7	Low	41 Å²	41	137.2 Å²	137.2	42%	0.423	75%	0.751	S	S	.	*			trans	-80.6	138.2	170.7	0	0	0	0	0	109.7	T157 T525	T157-G527 PolarHBondContact OG1-O 3.36Å; T525-G527 PolarHBondContact O-N 3.45Å
528	R	35.6	Very low	54.5	Low	316 Å²	316	130.4 Å²	130.4	100%	1.192	74%	0.735	S	S	*	*			trans	-59.1	0	175.1	-78.1	-175.8	178.9	177.9	-0.6	112.9

Retrieved 528 of 528 residues in 330.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).