A0A087X2W0_POEFO Loading...

Protoporphyrinogen oxidase

Catalyzes the 6-electron oxidation of protoporphyrinogen-IX to form protoporphyrin-IX.

AlphaFold DB , UniProt , Accession A0A087X2W0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 279 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	71.9	Confident	95	Very high	210 Å²	210	65.1 Å²	65.1	100%	1.034	37%	0.37	S	S	*	.				0	126.5	0	-73	-173.8	-101.4	0	0	108	T27	M1-T27 HydrophobicContact CB-CG2 3.55Å; M1-T27 HydrophobicContact CG-CG2 3.56Å; M1-T27 HydrophobicContact SD-CG2 3.81Å
2	K	91.8	Very high	95.3	Very high	128 Å²	128	64.1 Å²	64.1	56%	0.557	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	132.5	-170.6	-65.6	-177.9	179	176.5	0	111.7	Q25 T27	K2-Q25 PolarHBondContact N-O 3.18Å; K2-Q25 VanDerWaalsContact N-O 3.11Å; K2-T27 PolarHBondContact O-N 2.62Å; K2-T27 PolarHBondContact O-OG1 3.2Å
3	T	96	Very high	95.5	Very high	89 Å²	89	60.1 Å²	60.1	55%	0.546	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.4	164.8	-59.2	0	0	0	0	108.7	K28 I30	T3-K28 CarbonylContact C-O 3.59Å; T3-K28 WeakPolarHBondContact CA-O 3.21Å; T3-K28 HydrophobicContact CG2-CB 4.05Å; T3-K28 HydrophobicContact CG2-CD 4.18Å; T3-K28 HydrophobicContact CG2-CG 4.15Å; T3-I30 HydrophobicContact CG2-CD1 4.1Å; T3-I30 HydrophobicContact CG2-CG1 4.39Å
4	V	97.6	Very high	95.8	Very high	42 Å²	42	55.8 Å²	55.8	26%	0.255	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.1	179.7	-178.2	0	0	0	0	109.7	V6 L20 V26 K28 V29 I30	V4-V6 HydrophobicContact CG1-CG2 4.45Å; V4-L20 HydrophobicContact CB-CD1 4.32Å; V4-L20 HydrophobicContact CG1-CD1 3.76Å; V4-L20 HydrophobicContact CG2-CD2 4.43Å; V4-V26 HydrophobicContact CG2-CG1 4.1Å; V4-V26 HydrophobicContact CG2-CG2 4.23Å; V4-K28 PolarHBondContact N-O 3.16Å; V4-V29 CarbonylContact O-C 3.53Å; V4-V29 VanDerWaalsContact O-CA 3.31Å; V4-V29 WeakPolarHBondContact O-CA 3.29Å; V4-I30 PolarHBondContact O-N 2.9Å
5	A	97.6	Very high	95.9	Very high	49 Å²	49	53.5 Å²	53.5	41%	0.405	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.4	170.1	0	0	0	0	0	110	L7 I30 V270	A5-L7 HydrophobicContact CB-CD2 4.41Å; A5-I30 CarbonylContact C-O 3.55Å; A5-I30 WeakPolarHBondContact CA-O 3.5Å; A5-V270 HydrophobicContact CB-CG2 4.29Å
6	V	98.4	Very high	96.1	Very high	17 Å²	17	52.8 Å²	52.8	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.1	175.7	-179.7	0	0	0	0	107.9	V4 L20 V29 I30 V31 L32	V4-V6 HydrophobicContact CG1-CG2 4.45Å; V6-L20 HydrophobicContact CG2-CD1 3.93Å; V6-V29 HydrophobicContact CG2-CG1 4.04Å; V6-I30 PolarHBondContact N-O 2.91Å; V6-V31 HydrophobicContact CB-CG2 4.42Å; V6-V31 WeakPolarHBondContact O-CA 3.49Å; V6-L32 PolarHBondContact O-N 3.09Å
7	L	98.2	Very high	96.2	Very high	78 Å²	78	49.6 Å²	49.6	41%	0.408	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.5	-176.9	-41.7	-176.5	0	0	0	108.9	A5 L32 V258 I261 V270	A5-L7 HydrophobicContact CB-CD2 4.41Å; L7-L32 HydrophobicContact CD2-CB 4.49Å; L7-L32 HydrophobicContact CD2-CD1 3.96Å; L7-V258 HydrophobicContact CD1-CG1 4.18Å; L7-V258 HydrophobicContact CD2-CG2 3.87Å; L7-I261 HydrophobicContact CD1-CD1 3.31Å; L7-I261 HydrophobicContact CD1-CG1 4.01Å; L7-V270 HydrophobicContact CD2-CG1 3.98Å
8	G	98.4	Very high	96.3	Very high	27 Å²	27	47 Å²	47	28%	0.278	29%	0.293	S	S	.	.			trans	101.5	124.1	-173.6	0	0	0	0	0	112.3	G13 L32	G8-G13 WeakPolarHBondContact O-CA 3.38Å; G8-L32 PolarHBondContact N-O 2.76Å
9	G	98.3	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.296	C	S	.	.			trans	-96.6	17.6	178.1	0	0	0	0	0	114.3	L14 E33 G39	G9-L14 WeakPolarHBondContact O-CD1 3.35Å; G9-L14 WeakPolarHBondContact O-CG 3.31Å; G9-E33 WeakPolarHBondContact CA-OE2 3.35Å; G9-E33 PolarHBondContact N-OE2 2.73Å; G9-G39 PolarHBondContact O-N 3.18Å
10	G	98.6	Very high	96.3	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-72.1	175.7	168.9	0	0	0	0	0	112.5	G12 G13 L14	G10-G12 PolarHBondContact O-N 3.44Å; G10-G12 VanDerWaalsContact O-N 3.08Å; G10-G13 PolarHBondContact O-N 3.04Å; G10-L14 WeakPolarHBondContact O-CG 3.45Å; G10-L14 PolarHBondContact O-N 3.45Å
11	I	98.4	Very high	96.2	Very high	57 Å²	57	47 Å²	47	29%	0.292	28%	0.281	S	S	.	.	H	α-helix	trans	-53.6	-35.4	-177	-169.8	58.8	0	0	0	113.8	A15 L42 L236 I240	I11-A15 WeakPolarHBondContact O-CB 3.27Å; I11-A15 PolarHBondContact O-N 2.8Å; I11-L42 HydrophobicContact CB-CD1 3.92Å; I11-L42 HydrophobicContact CB-CD2 4.33Å; I11-L42 HydrophobicContact CD1-CD2 4.35Å; I11-L42 HydrophobicContact CG1-CD2 4.29Å; I11-L42 HydrophobicContact CG2-CD1 3.78Å; I11-L236 HydrophobicContact CD1-CD2 4.06Å; I11-L236 HydrophobicContact CD1-CG 4.16Å; I11-I240 HydrophobicContact CD1-CD1 3.73Å
12	G	98.3	Very high	97.1	Very high	53 Å²	53	42.4 Å²	42.4	55%	0.546	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-45.6	176.5	0	0	0	0	0	113.2	G10 A16	G10-G12 PolarHBondContact O-N 3.44Å; G10-G12 VanDerWaalsContact O-N 3.08Å; G12-A16 WeakPolarHBondContact O-CB 3.06Å; G12-A16 PolarHBondContact O-N 3.05Å
13	G	98.6	Very high	97.2	Very high	12 Å²	12	39.2 Å²	39.2	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-72.5	-38.5	178.7	0	0	0	0	0	113	G8 G10 A16 S17	G8-G13 WeakPolarHBondContact O-CA 3.38Å; G10-G13 PolarHBondContact O-N 3.04Å; G13-A16 PolarHBondContact O-N 3.38Å; G13-S17 WeakPolarHBondContact O-CB 3.47Å; G13-S17 PolarHBondContact O-N 3.05Å; G13-S17 PolarHBondContact O-OG 3.02Å
14	L	98.6	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-46.1	173.9	-67.9	174.4	0	0	0	111.6	G9 G10 S17 F18 F38 P237 I240 L244	G9-L14 WeakPolarHBondContact O-CD1 3.35Å; G9-L14 WeakPolarHBondContact O-CG 3.31Å; G10-L14 WeakPolarHBondContact O-CG 3.45Å; G10-L14 PolarHBondContact O-N 3.45Å; L14-S17 WeakPolarHBondContact O-CB 3.33Å; L14-S17 PolarHBondContact O-N 2.99Å; L14-F18 WeakPolarHBondContact O-CB 3.5Å; L14-F18 PolarHBondContact O-N 3.38Å; L14-F38 HydrophobicContact CD1-CB 4.19Å; L14-F38 HydrophobicContact CD2-CB 4.42Å; L14-F38 HydrophobicContact CD2-CD1 4.16Å; L14-F38 HydrophobicContact CD2-CG 4.38Å; L14-P237 HydrophobicContact CD1-CB 3.4Å; L14-P237 VanDerWaalsContact CD1-CB 3.4Å; L14-I240 HydrophobicContact CB-CB 4.38Å; L14-I240 HydrophobicContact CB-CD1 4.47Å; L14-I240 HydrophobicContact CB-CG2 3.79Å; L14-L244 HydrophobicContact CD2-CD1 4.18Å
15	A	98.3	Very high	96.9	Very high	21 Å²	21	44.5 Å²	44.5	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-42.9	175.8	0	0	0	0	0	112	I11 S17 F18 Y19 M73	I11-A15 WeakPolarHBondContact O-CB 3.27Å; I11-A15 PolarHBondContact O-N 2.8Å; A15-S17 VanDerWaalsContact C-N 3.29Å; A15-S17 PolarHBondContact O-N 2.79Å; A15-F18 WeakPolarHBondContact O-CB 3.31Å; A15-F18 PolarHBondContact O-N 3.38Å; A15-Y19 WeakPolarHBondContact O-CD2 3.29Å; A15-Y19 PolarHBondContact O-N 2.91Å; A15-Y19 VanDerWaalsContact O-N 3.14Å; A15-M73 HydrophobicContact CB-CE 3.95Å
16	A	98.4	Very high	96.8	Very high	42 Å²	42	42.5 Å²	42.5	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-57.9	-45.3	174.7	0	0	0	0	0	111.1	G12 G13 F18 Y19 L20	G12-A16 WeakPolarHBondContact O-CB 3.06Å; G12-A16 PolarHBondContact O-N 3.05Å; G13-A16 PolarHBondContact O-N 3.38Å; A16-F18 PolarHBondContact O-N 3.35Å; A16-Y19 PolarHBondContact O-N 2.84Å; A16-L20 WeakPolarHBondContact O-CB 3.26Å; A16-L20 WeakPolarHBondContact O-CG 2.95Å; A16-L20 PolarHBondContact O-N 3.15Å
17	S	98.2	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-39.3	178.4	-56.3	0	0	0	0	112.3	G13 L14 A15 Y19 L20 C21 V31	G13-S17 WeakPolarHBondContact O-CB 3.47Å; G13-S17 PolarHBondContact O-N 3.05Å; G13-S17 PolarHBondContact O-OG 3.02Å; L14-S17 WeakPolarHBondContact O-CB 3.33Å; L14-S17 PolarHBondContact O-N 2.99Å; A15-S17 VanDerWaalsContact C-N 3.29Å; A15-S17 PolarHBondContact O-N 2.79Å; S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 PolarHBondContact O-N 2.95Å; S17-L20 PolarHBondContact O-N 3.38Å; S17-C21 PolarHBondContact O-N 3.11Å; S17-V31 WeakPolarHBondContact OG-CG2 3.48Å
18	F	97.3	Very high	96.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-37.9	176.1	176.9	-90.6	0	0	0	113.1	L14 A15 A16 C21 K22 M73 L77 I240 F243	L14-F18 WeakPolarHBondContact O-CB 3.5Å; L14-F18 PolarHBondContact O-N 3.38Å; A15-F18 WeakPolarHBondContact O-CB 3.31Å; A15-F18 PolarHBondContact O-N 3.38Å; A16-F18 PolarHBondContact O-N 3.35Å; F18-C21 PolarHBondContact O-SG 2.98Å; F18-K22 HydrophobicContact CE1-CD 4.46Å; F18-M73 HydrophobicContact CD1-CE 3.77Å; F18-M73 HydrophobicContact CD1-CG 4.15Å; F18-M73 HydrophobicContact CD1-SD 4.41Å; F18-M73 HydrophobicContact CE1-CB 4.36Å; F18-M73 HydrophobicContact CE1-CE 4.17Å; F18-M73 HydrophobicContact CE1-CG 3.79Å; F18-M73 HydrophobicContact CE2-CG 4.46Å; F18-M73 HydrophobicContact CG-CE 4.38Å; F18-M73 HydrophobicContact CZ-CG 3.93Å; F18-L77 HydrophobicContact CD2-CD2 4.29Å; F18-L77 HydrophobicContact CE2-CD2 3.77Å; F18-L77 HydrophobicContact CE2-CG 4.17Å; F18-I240 HydrophobicContact CB-CG2 4.16Å; F18-F243 AromaticContact CD2-CD1 3.5Å; F18-F243 HydrophobicContact CD2-CD1 3.5Å; F18-F243 AromaticContact CD2-CE1 3.54Å; F18-F243 HydrophobicContact CD2-CE1 3.54Å; F18-F243 HydrophobicContact CD2-CG 4.34Å; F18-F243 HydrophobicContact CD2-CZ 4.4Å; F18-F243 AromaticContact CE2-CD1 3.74Å; F18-F243 HydrophobicContact CE2-CD1 3.74Å; F18-F243 AromaticContact CE2-CE1 3.62Å; F18-F243 HydrophobicContact CE2-CE1 3.62Å; F18-F243 HydrophobicContact CE2-CG 4.24Å; F18-F243 HydrophobicContact CE2-CZ 4.04Å
19	Y	96.6	Very high	96.5	Very high	89 Å²	89	42.9 Å²	42.9	35%	0.349	25%	0.248	S	C	.	.	H	α-helix	trans	-81.2	-34.5	174.9	-68.5	-68.2	0	0	0	112.4	A15 A16 S17 C21 K22 N23 N69 M73	A15-Y19 WeakPolarHBondContact O-CD2 3.29Å; A15-Y19 PolarHBondContact O-N 2.91Å; A15-Y19 VanDerWaalsContact O-N 3.14Å; A16-Y19 PolarHBondContact O-N 2.84Å; S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 PolarHBondContact O-N 2.95Å; Y19-C21 PolarHBondContact O-N 2.64Å; Y19-K22 PolarHBondContact O-N 3.32Å; Y19-N23 PolarHBondContact O-N 2.96Å; Y19-N69 VanDerWaalsContact OH-CG 3.22Å; Y19-N69 PolarHBondContact OH-ND2 2.8Å; Y19-N69 PolarHBondContact OH-OD1 3.22Å; Y19-M73 HydrophobicContact CD2-CE 4.18Å; Y19-M73 HydrophobicContact CE2-CE 3.25Å; Y19-M73 WeakPolarHBondContact OH-CE 3.49Å
20	L	96.6	Very high	96.5	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-39.2	176.3	-75.9	167.7	0	0	0	112.2	V4 V6 A16 S17 K22 N23 V26 V29	V4-L20 HydrophobicContact CB-CD1 4.32Å; V4-L20 HydrophobicContact CG1-CD1 3.76Å; V4-L20 HydrophobicContact CG2-CD2 4.43Å; V6-L20 HydrophobicContact CG2-CD1 3.93Å; A16-L20 WeakPolarHBondContact O-CB 3.26Å; A16-L20 WeakPolarHBondContact O-CG 2.95Å; A16-L20 PolarHBondContact O-N 3.15Å; S17-L20 PolarHBondContact O-N 3.38Å; L20-K22 PolarHBondContact O-N 3.34Å; L20-N23 WeakPolarHBondContact O-CB 3.33Å; L20-N23 PolarHBondContact O-N 2.9Å; L20-V26 HydrophobicContact CD2-CG2 3.95Å; L20-V29 HydrophobicContact CB-CG2 3.8Å; L20-V29 HydrophobicContact CD1-CG1 4.49Å
21	C	93.5	Very high	96.5	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.074	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.4	-179.9	75.6	0	0	0	0	113.2	S17 F18 Y19 L244 K249 V250	S17-C21 PolarHBondContact O-N 3.11Å; F18-C21 PolarHBondContact O-SG 2.98Å; Y19-C21 PolarHBondContact O-N 2.64Å; C21-L244 HydrophobicContact CB-CD2 4.44Å; C21-K249 PolarHBondContact O-NZ 2.7Å; C21-V250 HydrophobicContact CB-CG2 4.04Å
22	K	91.4	Very high	96.5	Very high	115 Å²	115	41.5 Å²	41.5	50%	0.5	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.3	174.9	-62.2	-179.1	-178.6	-169.7	0	112.9	F18 Y19 L20	F18-K22 HydrophobicContact CE1-CD 4.46Å; Y19-K22 PolarHBondContact O-N 3.32Å; L20-K22 PolarHBondContact O-N 3.34Å
23	N	93.6	Very high	96.5	Very high	61 Å²	61	39.9 Å²	39.9	33%	0.326	21%	0.214	S	C	.	.			trans	-81.1	120.5	178.2	-172.9	-33.8	0	0	0	110.2	Y19 L20 Q25 V26	Y19-N23 PolarHBondContact O-N 2.96Å; L20-N23 WeakPolarHBondContact O-CB 3.33Å; L20-N23 PolarHBondContact O-N 2.9Å; N23-Q25 PolarHBondContact O-N 2.88Å; N23-Q25 VanDerWaalsContact O-N 3.16Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.1Å; N23-Q25 PolarHBondContact OD1-N 2.85Å; N23-V26 HydrophobicContact CB-CB 4.42Å; N23-V26 HydrophobicContact CB-CG2 4.05Å; N23-V26 PolarHBondContact O-N 2.77Å; N23-V26 VanDerWaalsContact O-N 3.12Å
24	P	92.6	Very high	96.5	Very high	118 Å²	118	42.7 Å²	42.7	77%	0.766	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.2	-177.3	26.7	-35.2	0	0	0	113.9	V26	P24-V26 VanDerWaalsContact C-N 3.33Å
25	Q	94.5	Very high	96.4	Very high	123 Å²	123	44.8 Å²	44.8	58%	0.575	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-17.3	177.9	-59.6	-175.6	-18.1	0	0	113.2	K2 N23	K2-Q25 PolarHBondContact N-O 3.18Å; K2-Q25 VanDerWaalsContact N-O 3.11Å; N23-Q25 PolarHBondContact O-N 2.88Å; N23-Q25 VanDerWaalsContact O-N 3.16Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.1Å; N23-Q25 PolarHBondContact OD1-N 2.85Å
26	V	95.7	Very high	96.3	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.3	-179.1	-179	0	0	0	0	108.6	V4 L20 N23 P24 V29	V4-V26 HydrophobicContact CG2-CG1 4.1Å; V4-V26 HydrophobicContact CG2-CG2 4.23Å; L20-V26 HydrophobicContact CD2-CG2 3.95Å; N23-V26 HydrophobicContact CB-CB 4.42Å; N23-V26 HydrophobicContact CB-CG2 4.05Å; N23-V26 PolarHBondContact O-N 2.77Å; N23-V26 VanDerWaalsContact O-N 3.12Å; P24-V26 VanDerWaalsContact C-N 3.33Å; V26-V29 HydrophobicContact CG1-CG2 3.65Å
27	T	94.6	Very high	96.2	Very high	58 Å²	58	47.6 Å²	47.6	36%	0.356	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-24	-178	49.1	0	0	0	0	112.7	M1 K2	M1-T27 HydrophobicContact CB-CG2 3.55Å; M1-T27 HydrophobicContact CG-CG2 3.56Å; M1-T27 HydrophobicContact SD-CG2 3.81Å; K2-T27 PolarHBondContact O-N 2.62Å; K2-T27 PolarHBondContact O-OG1 3.2Å
28	K	96.9	Very high	96.2	Very high	71 Å²	71	49 Å²	49	31%	0.309	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	135.5	-180	-174.1	174.6	-176	172.8	0	111	T3 V4 I30 K249 E251	T3-K28 CarbonylContact C-O 3.59Å; T3-K28 WeakPolarHBondContact CA-O 3.21Å; T3-K28 HydrophobicContact CG2-CB 4.05Å; T3-K28 HydrophobicContact CG2-CD 4.18Å; T3-K28 HydrophobicContact CG2-CG 4.15Å; V4-K28 PolarHBondContact N-O 3.16Å; K28-I30 HydrophobicContact CD-CD1 4.49Å; K28-I30 HydrophobicContact CD-CG1 4.44Å; K28-I30 HydrophobicContact CG-CG1 4.29Å; K28-K249 CarbonylContact C-O 3.46Å; K28-K249 WeakPolarHBondContact CA-O 3.43Å; K28-E251 WeakPolarHBondContact CE-OE1 3.07Å; K28-E251 IonicContact NZ-OE1 3.58Å; K28-E251 PolarHBondContact NZ-OE1 3.44Å; K28-E251 IonicContact NZ-OE2 3.95Å
29	V	98.2	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.1	170.9	-176.4	0	0	0	0	108.6	V4 V6 L20 V26 V31 K249 V250 E251	V4-V29 CarbonylContact O-C 3.53Å; V4-V29 VanDerWaalsContact O-CA 3.31Å; V4-V29 WeakPolarHBondContact O-CA 3.29Å; V6-V29 HydrophobicContact CG2-CG1 4.04Å; L20-V29 HydrophobicContact CB-CG2 3.8Å; L20-V29 HydrophobicContact CD1-CG1 4.49Å; V26-V29 HydrophobicContact CG1-CG2 3.65Å; V29-V31 HydrophobicContact CG1-CG2 4.27Å; V29-K249 PolarHBondContact N-O 3.16Å; V29-V250 HydrophobicContact CB-CB 4.47Å; V29-V250 HydrophobicContact CB-CG1 4.17Å; V29-V250 HydrophobicContact CB-CG2 4.11Å; V29-V250 HydrophobicContact CG1-CG1 4.32Å; V29-V250 CarbonylContact O-C 3.49Å; V29-V250 VanDerWaalsContact O-CA 3.3Å; V29-V250 WeakPolarHBondContact O-CA 3.45Å; V29-E251 PolarHBondContact O-N 3.13Å
30	I	97.9	Very high	96.3	Very high	35 Å²	35	46.2 Å²	46.2	18%	0.179	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.5	176.3	-53.7	177.5	0	0	0	107.7	T3 V4 A5 V6 K28 L32	T3-I30 HydrophobicContact CG2-CD1 4.1Å; T3-I30 HydrophobicContact CG2-CG1 4.39Å; V4-I30 PolarHBondContact O-N 2.9Å; A5-I30 CarbonylContact C-O 3.55Å; A5-I30 WeakPolarHBondContact CA-O 3.5Å; V6-I30 PolarHBondContact N-O 2.91Å; K28-I30 HydrophobicContact CD-CD1 4.49Å; K28-I30 HydrophobicContact CD-CG1 4.44Å; K28-I30 HydrophobicContact CG-CG1 4.29Å; I30-L32 HydrophobicContact CG2-CD2 3.82Å; I30-L32 HydrophobicContact CG2-CG 4.22Å
31	V	98.5	Very high	96.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.3	176.8	-171.1	0	0	0	0	108.9	V6 S17 V29 F38 V250 E251 L252 H253	V6-V31 HydrophobicContact CB-CG2 4.42Å; V6-V31 WeakPolarHBondContact O-CA 3.49Å; S17-V31 WeakPolarHBondContact OG-CG2 3.48Å; V29-V31 HydrophobicContact CG1-CG2 4.27Å; V31-F38 HydrophobicContact CG1-CE1 4.18Å; V31-V250 HydrophobicContact CG2-CG1 4.04Å; V31-E251 PolarHBondContact N-O 3.12Å; V31-L252 HydrophobicContact CB-CD2 3.69Å; V31-L252 HydrophobicContact CG1-CD2 4.39Å; V31-L252 HydrophobicContact CG2-CD2 3.62Å; V31-H253 PolarHBondContact O-N 3.3Å
32	L	98.3	Very high	96.6	Very high	13 Å²	13	55 Å²	55	7%	0.068	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	109	180	-57.3	178.2	0	0	0	109.4	V6 L7 G8 I30 H253 A256 V258 V270 K272	V6-L32 PolarHBondContact O-N 3.09Å; L7-L32 HydrophobicContact CD2-CB 4.49Å; L7-L32 HydrophobicContact CD2-CD1 3.96Å; G8-L32 PolarHBondContact N-O 2.76Å; I30-L32 HydrophobicContact CG2-CD2 3.82Å; I30-L32 HydrophobicContact CG2-CG 4.22Å; L32-H253 HydrophobicContact CD2-CB 3.79Å; L32-A256 HydrophobicContact CD2-CB 4.25Å; L32-V258 HydrophobicContact CB-CG2 3.88Å; L32-V258 HydrophobicContact CD1-CG2 3.58Å; L32-V258 HydrophobicContact CG-CG2 4.39Å; L32-V270 HydrophobicContact CD1-CG1 3.69Å; L32-K272 HydrophobicContact CD2-CD 4.17Å
33	E	98.2	Very high	97	Very high	18 Å²	18	55.6 Å²	55.6	8%	0.084	29%	0.289	C	S	.	.			trans	-107.8	131.9	176.7	175	41.4	-127.7	0	0	110.4	G9 S35 R37 F38 H253 R254 D255 A256	G9-E33 WeakPolarHBondContact CA-OE2 3.35Å; G9-E33 PolarHBondContact N-OE2 2.73Å; E33-S35 VanDerWaalsContact OE1-CB 3.29Å; E33-S35 WeakPolarHBondContact OE1-CB 3.33Å; E33-S35 PolarHBondContact OE1-N 3.18Å; E33-S35 PolarHBondContact OE1-OG 2.54Å; E33-R37 VanDerWaalsContact CG-O 3.26Å; E33-R37 WeakPolarHBondContact CG-O 3.13Å; E33-F38 HydrophobicContact CB-CD1 3.97Å; E33-F38 HydrophobicContact CB-CE1 3.6Å; E33-F38 HydrophobicContact CG-CD1 4.23Å; E33-F38 HydrophobicContact CG-CE1 4.32Å; E33-H253 PolarHBondContact N-O 2.93Å; E33-R254 CarbonylContact O-C 3.48Å; E33-D255 PolarHBondContact O-N 3.49Å; E33-D255 VanDerWaalsContact O-N 3.15Å; E33-A256 PolarHBondContact O-N 3.28Å
34	S	97.7	Very high	97.2	Very high	71 Å²	71	53 Å²	53	50%	0.497	28%	0.276	S	S	.	.	S	Bend	trans	-71.3	-30.7	-177.6	57.3	0	0	0	0	114.3
35	S	96.8	Very high	97.5	Very high	44 Å²	44	51.8 Å²	51.8	31%	0.308	26%	0.262	S	S	.	.	S	Bend	trans	-93.7	175.8	-177.8	70.4	0	0	0	0	112.3	E33 R37 D255	E33-S35 VanDerWaalsContact OE1-CB 3.29Å; E33-S35 WeakPolarHBondContact OE1-CB 3.33Å; E33-S35 PolarHBondContact OE1-N 3.18Å; E33-S35 PolarHBondContact OE1-OG 2.54Å; S35-R37 PolarHBondContact O-N 3.12Å; S35-R37 PolarHBondContact OG-O 3.32Å; S35-D255 PolarHBondContact O-N 3.47Å
36	S	96.4	Very high	97.6	Very high	76 Å²	76	49.7 Å²	49.7	53%	0.531	25%	0.249	S	C	.	.	S	Bend	trans	-79.3	1.8	178.9	60.1	0	0	0	0	114.1	R254 D255	S36-R254 WeakPolarHBondContact O-CD 3.49Å; S36-R254 PolarHBondContact O-NH1 3.35Å; S36-D255 WeakPolarHBondContact CA-OD1 3.36Å; S36-D255 PolarHBondContact N-OD1 3.5Å
37	R	96.9	Very high	97.7	Very high	47 Å²	47	55.4 Å²	55.4	18%	0.177	27%	0.27	C	S	.	.	S	Bend	trans	-142.3	152.3	-179.6	67.1	175.6	-70.8	-78.9	0.1	113.3	E33 S35 G40 L42 E234	E33-R37 VanDerWaalsContact CG-O 3.26Å; E33-R37 WeakPolarHBondContact CG-O 3.13Å; S35-R37 PolarHBondContact O-N 3.12Å; S35-R37 PolarHBondContact OG-O 3.32Å; R37-G40 PolarHBondContact NH1-O 2.77Å; R37-L42 PolarHBondContact NH2-O 3.5Å; R37-E234 IonicContact CZ-OE1 3.7Å; R37-E234 IonicContact NE-OE1 3.7Å; R37-E234 PolarHBondContact NE-OE1 3.39Å; R37-E234 IonicContact NH2-OE1 3.91Å; R37-E234 PolarHBondContact NH2-OE1 3.15Å; R37-E234 IonicContact NH2-OE2 2.66Å
38	F	98.4	Very high	97.8	Very high	30 Å²	30	59 Å²	59	13%	0.132	30%	0.298	C	S	.	.	S	Bend	trans	-85.6	163.2	166.9	-65.5	-65.3	0	0	0	110.9	L14 V31 E33 A241 L252 R254	L14-F38 HydrophobicContact CD1-CB 4.19Å; L14-F38 HydrophobicContact CD2-CB 4.42Å; L14-F38 HydrophobicContact CD2-CD1 4.16Å; L14-F38 HydrophobicContact CD2-CG 4.38Å; V31-F38 HydrophobicContact CG1-CE1 4.18Å; E33-F38 HydrophobicContact CB-CD1 3.97Å; E33-F38 HydrophobicContact CB-CE1 3.6Å; E33-F38 HydrophobicContact CG-CD1 4.23Å; E33-F38 HydrophobicContact CG-CE1 4.32Å; F38-A241 HydrophobicContact CD2-CB 4.22Å; F38-L252 HydrophobicContact CE2-CB 3.89Å; F38-L252 HydrophobicContact CE2-CD1 4.24Å; F38-L252 HydrophobicContact CE2-CG 4.5Å; F38-L252 HydrophobicContact CZ-CB 3.67Å; F38-L252 HydrophobicContact CZ-CD2 4.26Å; F38-L252 HydrophobicContact CZ-CG 4.39Å; F38-R254 HydrophobicContact CD2-CG 4.09Å; F38-R254 HydrophobicContact CE1-CG 4.21Å; F38-R254 HydrophobicContact CE2-CG 3.46Å; F38-R254 VanDerWaalsContact CE2-CG 3.46Å; F38-R254 HydrophobicContact CZ-CG 3.52Å
39	G	97.8	Very high	97.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	110	-24	173.9	0	0	0	0	0	114.9	G9 W41 L42 P237	G9-G39 PolarHBondContact O-N 3.18Å; G39-W41 PolarHBondContact O-N 3.08Å; G39-L42 PolarHBondContact O-N 3.45Å; G39-P237 VanDerWaalsContact CA-CB 3.47Å
40	G	98.2	Very high	97.6	Very high	31 Å²	31	63.2 Å²	63.2	32%	0.32	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-127.5	-179.3	0	0	0	0	0	110.9	R37 L42	R37-G40 PolarHBondContact NH1-O 2.77Å; G40-L42 PolarHBondContact O-N 2.98Å
41	W	98.4	Very high	97.6	Very high	220 Å²	220	63.2 Å²	63.2	83%	0.833	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.6	-179.2	-59.9	118.3	0	0	0	115.3	G39 W43 G56 P57	G39-W41 PolarHBondContact O-N 3.08Å; W41-W43 PolarHBondContact O-N 3.41Å; W41-W43 VanDerWaalsContact O-N 3.15Å; W41-G56 WeakPolarHBondContact O-CA 3.47Å; W41-P57 WeakPolarHBondContact O-CD 3.46Å
42	L	98.4	Very high	97.6	Very high	15 Å²	15	65.9 Å²	65.9	8%	0.079	36%	0.359	C	S	.	.			trans	-78.9	98.1	171.4	-76.5	72.2	0	0	0	107.5	I11 R37 G39 G40 P57 V233 P237	I11-L42 HydrophobicContact CB-CD1 3.92Å; I11-L42 HydrophobicContact CB-CD2 4.33Å; I11-L42 HydrophobicContact CD1-CD2 4.35Å; I11-L42 HydrophobicContact CG1-CD2 4.29Å; I11-L42 HydrophobicContact CG2-CD1 3.78Å; R37-L42 PolarHBondContact NH2-O 3.5Å; G39-L42 PolarHBondContact O-N 3.45Å; G40-L42 PolarHBondContact O-N 2.98Å; L42-P57 HydrophobicContact CD1-CG 4.09Å; L42-P57 HydrophobicContact CG-CG 4.33Å; L42-V233 HydrophobicContact CB-CG2 4.34Å; L42-V233 HydrophobicContact CG-CG2 4.26Å; L42-P237 HydrophobicContact CB-CG 3.95Å; L42-P237 HydrophobicContact CD2-CG 4.2Å
43	W	98.1	Very high	97.6	Very high	129 Å²	129	70.1 Å²	70.1	49%	0.489	38%	0.378	S	S	.	.			trans	-143.9	122.9	-174.6	-171.8	2.6	0	0	0	109.9	W41 L55 E234	W41-W43 PolarHBondContact O-N 3.41Å; W41-W43 VanDerWaalsContact O-N 3.15Å; W43-L55 HydrophobicContact CB-CB 4.3Å; W43-L55 HydrophobicContact CD2-CD1 3.72Å; W43-L55 HydrophobicContact CE3-CD1 4.15Å; W43-L55 HydrophobicContact CG-CB 4.46Å; W43-L55 HydrophobicContact CG-CD1 3.92Å; W43-L55 HydrophobicContact CZ2-CD1 4.4Å; W43-L55 WeakPolarHBondContact O-CB 3.17Å; W43-L55 PolarHBondContact O-N 3.32Å; W43-E234 VanDerWaalsContact CD1-OE2 3.3Å
44	S	98.6	Very high	97.6	Very high	7 Å²	7	70.6 Å²	70.6	5%	0.049	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.7	-174.8	-50.5	0	0	0	0	110.2	E54 G232 V233 E234	S44-E54 WeakPolarHBondContact CB-OE2 3.5Å; S44-E54 PolarHBondContact OG-OE1 3.39Å; S44-E54 PolarHBondContact OG-OE2 3.42Å; S44-G232 WeakPolarHBondContact OG-CA 3.16Å; S44-V233 PolarHBondContact OG-N 3Å; S44-E234 PolarHBondContact N-OE2 3.13Å; S44-E234 VanDerWaalsContact OG-CB 3.31Å; S44-E234 WeakPolarHBondContact OG-CB 3.38Å; S44-E234 PolarHBondContact OG-N 3.25Å; S44-E234 VanDerWaalsContact OG-N 3.12Å
45	L	98.3	Very high	97.6	Very high	91 Å²	91	72 Å²	72	48%	0.476	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116	168.7	174.9	70.6	0	0	0	109.4	V52 F53	L45-V52 WeakPolarHBondContact O-CA 3.45Å; L45-F53 HydrophobicContact CB-CB 4.12Å; L45-F53 HydrophobicContact CD2-CB 4.48Å; L45-F53 PolarHBondContact N-O 3.2Å; L45-F53 PolarHBondContact O-N 2.85Å
46	R	97.9	Very high	97.7	Very high	79 Å²	79	71.1 Å²	71.1	30%	0.298	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.6	178.9	-60.5	169	178.1	152.7	-0.3	109.6	R231 T235 E238	R46-R231 PolarHBondContact NE-O 3.26Å; R46-R231 PolarHBondContact NH2-O 3.22Å; R46-R231 VanDerWaalsContact NH2-O 3.09Å; R46-T235 PolarHBondContact NH2-OG1 2.91Å; R46-E238 IonicContact CZ-OE1 2.96Å; R46-E238 IonicContact CZ-OE2 3.32Å; R46-E238 IonicContact NH1-OE1 3.27Å; R46-E238 PolarHBondContact NH1-OE1 3.15Å; R46-E238 IonicContact NH1-OE2 2.79Å; R46-E238 PolarHBondContact NH1-OE2 3.19Å; R46-E238 IonicContact NH2-OE1 3.22Å; R46-E238 PolarHBondContact NH2-OE1 3.23Å; R46-E238 IonicContact NH2-OE2 3.33Å; R46-E238 PolarHBondContact NH2-OE2 2.78Å
47	R	97.4	Very high	97.7	Very high	128 Å²	128	70.1 Å²	70.1	48%	0.483	37%	0.371	S	S	.	.			trans	-96.8	159.2	179.8	-74.4	168.8	61.6	124.6	2.4	112.2	D49 G50 A51 F53	R47-D49 WeakPolarHBondContact CB-OD1 3.41Å; R47-D49 IonicContact CZ-OD2 2.6Å; R47-D49 VanDerWaalsContact CZ-OD2 3.27Å; R47-D49 IonicContact NE-OD1 2.74Å; R47-D49 PolarHBondContact NE-OD1 3.01Å; R47-D49 IonicContact NE-OD2 3.69Å; R47-D49 PolarHBondContact NE-OD2 2.95Å; R47-D49 IonicContact NH2-OD2 4Å; R47-D49 PolarHBondContact NH2-OD2 3.47Å; R47-D49 PolarHBondContact O-N 2.83Å; R47-G50 PolarHBondContact O-N 3.38Å; R47-G50 VanDerWaalsContact O-N 3.11Å; R47-A51 HydrophobicContact CB-CB 4.46Å; R47-A51 PolarHBondContact N-O 3.21Å; R47-F53 HydrophobicContact CG-CD2 4.36Å; R47-F53 HydrophobicContact CG-CE2 4.46Å
48	S	95.9	Very high	97.8	Very high	135 Å²	135	75.9 Å²	75.9	94%	0.944	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.4	176.9	50.5	0	0	0	0	113.7	G50	S48-G50 PolarHBondContact O-N 2.65Å
49	D	96.5	Very high	97.7	Very high	97 Å²	97	75.7 Å²	75.7	52%	0.519	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.8	174.1	58.5	16.7	0	0	0	113.5	R47 A51	R47-D49 WeakPolarHBondContact CB-OD1 3.41Å; R47-D49 IonicContact CZ-OD2 2.6Å; R47-D49 VanDerWaalsContact CZ-OD2 3.27Å; R47-D49 IonicContact NE-OD1 2.74Å; R47-D49 PolarHBondContact NE-OD1 3.01Å; R47-D49 IonicContact NE-OD2 3.69Å; R47-D49 PolarHBondContact NE-OD2 2.95Å; R47-D49 IonicContact NH2-OD2 4Å; R47-D49 PolarHBondContact NH2-OD2 3.47Å; R47-D49 PolarHBondContact O-N 2.83Å; D49-A51 VanDerWaalsContact C-N 3.32Å; D49-A51 VanDerWaalsContact OD1-CB 3.27Å; D49-A51 WeakPolarHBondContact OD1-CB 3.42Å; D49-A51 PolarHBondContact OD1-N 3.32Å
50	G	95.1	Very high	97.7	Very high	62 Å²	62	77.6 Å²	77.6	64%	0.639	41%	0.409	S	S	*	.	S	Bend	trans	85.6	-3.7	-179.4	0	0	0	0	0	114.5	R47 S48	R47-G50 PolarHBondContact O-N 3.38Å; R47-G50 VanDerWaalsContact O-N 3.11Å; S48-G50 PolarHBondContact O-N 2.65Å
51	A	97.9	Very high	97.7	Very high	35 Å²	35	85 Å²	85	29%	0.289	43%	0.427	S	S	.	.			trans	-71.1	144.1	175.6	0	0	0	0	0	111.8	R47 D49 F53	R47-A51 HydrophobicContact CB-CB 4.46Å; R47-A51 PolarHBondContact N-O 3.21Å; D49-A51 VanDerWaalsContact C-N 3.32Å; D49-A51 VanDerWaalsContact OD1-CB 3.27Å; D49-A51 WeakPolarHBondContact OD1-CB 3.42Å; D49-A51 PolarHBondContact OD1-N 3.32Å; A51-F53 HydrophobicContact CB-CD2 4.47Å; A51-F53 HydrophobicContact CB-CE2 3.92Å
52	V	98.4	Very high	97.6	Very high	55 Å²	55	75.3 Å²	75.3	33%	0.333	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.1	175.8	-178	0	0	0	0	109.4	L45	L45-V52 WeakPolarHBondContact O-CA 3.45Å
53	F	98.4	Very high	97.4	Very high	103 Å²	103	77.5 Å²	77.5	45%	0.452	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	111.3	178.2	-73.6	-85.5	0	0	0	110.3	L45 R47 A51	L45-F53 HydrophobicContact CB-CB 4.12Å; L45-F53 HydrophobicContact CD2-CB 4.48Å; L45-F53 PolarHBondContact N-O 3.2Å; L45-F53 PolarHBondContact O-N 2.85Å; R47-F53 HydrophobicContact CG-CD2 4.36Å; R47-F53 HydrophobicContact CG-CE2 4.46Å; A51-F53 HydrophobicContact CB-CD2 4.47Å; A51-F53 HydrophobicContact CB-CE2 3.92Å
54	E	98.6	Very high	97.2	Very high	27 Å²	27	74 Å²	74	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120	177.5	-58.4	-70.9	-165.3	0	0	110.8	S44 G56 R58 G232 V233	S44-E54 WeakPolarHBondContact CB-OE2 3.5Å; S44-E54 PolarHBondContact OG-OE1 3.39Å; S44-E54 PolarHBondContact OG-OE2 3.42Å; E54-G56 VanDerWaalsContact C-N 3.34Å; E54-R58 HydrophobicContact CB-CB 3.73Å; E54-R58 HydrophobicContact CG-CB 3.71Å; E54-G232 WeakPolarHBondContact OE1-CA 3.07Å; E54-V233 PolarHBondContact OE1-N 3.23Å; E54-V233 WeakPolarHBondContact OE2-CG2 3.34Å
55	L	98.2	Very high	97	Very high	102 Å²	102	74.6 Å²	74.6	53%	0.534	42%	0.422	S	S	.	.	S	Bend	trans	-87.7	-6	179.9	-55.4	-178.1	0	0	0	112.8	W43	W43-L55 HydrophobicContact CB-CB 4.3Å; W43-L55 HydrophobicContact CD2-CD1 3.72Å; W43-L55 HydrophobicContact CE3-CD1 4.15Å; W43-L55 HydrophobicContact CG-CB 4.46Å; W43-L55 HydrophobicContact CG-CD1 3.92Å; W43-L55 HydrophobicContact CZ2-CD1 4.4Å; W43-L55 WeakPolarHBondContact O-CB 3.17Å; W43-L55 PolarHBondContact O-N 3.32Å
56	G	97.3	Very high	96.9	Very high	25 Å²	25	75.8 Å²	75.8	26%	0.258	43%	0.433	S	S	.	.	S	Bend	trans	-143.2	-124.3	176.6	0	0	0	0	0	111.9	W41 E54	W41-G56 WeakPolarHBondContact O-CA 3.47Å; E54-G56 VanDerWaalsContact C-N 3.34Å
57	P	97.9	Very high	96.8	Very high	55 Å²	55	72.2 Å²	72.2	36%	0.357	42%	0.421	S	S	.	.			trans	-57.4	145	172.7	-21.8	34.1	0	0	0	111.3	W41 L42 V233	W41-P57 WeakPolarHBondContact O-CD 3.46Å; L42-P57 HydrophobicContact CD1-CG 4.09Å; L42-P57 HydrophobicContact CG-CG 4.33Å; P57-V233 WeakPolarHBondContact O-CG2 3.4Å
58	R	97.5	Very high	96.8	Very high	168 Å²	168	66.5 Å²	66.5	63%	0.634	40%	0.4	S	S	*	.			trans	-127.2	-4.7	-178.7	70.6	-175.7	79.7	-98.8	-1.9	114.8	E54 S228	E54-R58 HydrophobicContact CB-CB 3.73Å; E54-R58 HydrophobicContact CG-CB 3.71Å; R58-S228 PolarHBondContact O-OG 2.8Å
59	G	96.8	Very high	96.9	Very high	26 Å²	26	62.6 Å²	62.6	27%	0.268	37%	0.368	S	S	.	.			trans	-170.3	148.4	-177.9	0	0	0	0	0	110.5	W227	G59-W227 CarbonylContact C-O 3.53Å; G59-W227 VanDerWaalsContact CA-O 3.31Å; G59-W227 WeakPolarHBondContact CA-O 3.15Å
60	I	98.3	Very high	97	Very high	40 Å²	40	59.4 Å²	59.4	21%	0.205	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-120.4	138.2	-177.1	-61.4	163.1	0	0	0	108.1	T70 Q226 W227 L236	I60-T70 HydrophobicContact CG2-CG2 4.35Å; I60-Q226 CarbonylContact O-C 3.18Å; I60-Q226 WeakPolarHBondContact O-CA 3.47Å; I60-W227 HydrophobicContact CB-CD2 4.32Å; I60-W227 HydrophobicContact CB-CH2 4.32Å; I60-W227 HydrophobicContact CB-CZ2 3.79Å; I60-W227 HydrophobicContact CD1-CH2 3.59Å; I60-W227 HydrophobicContact CD1-CZ2 3.88Å; I60-W227 HydrophobicContact CD1-CZ3 4.1Å; I60-W227 HydrophobicContact CG1-CZ2 4.45Å; I60-W227 HydrophobicContact CG2-CZ2 3.68Å; I60-W227 PolarHBondContact N-O 3.48Å; I60-W227 PolarHBondContact O-N 3.44Å; I60-W227 PolarHBondContact O-NE1 2.83Å; I60-L236 HydrophobicContact CD1-CD2 4.25Å
61	R	97.8	Very high	97.2	Very high	187 Å²	187	56.6 Å²	56.6	71%	0.706	32%	0.323	S	S	*	.			trans	-86.6	135.9	176.1	-63.6	-172.8	-62.1	-175.1	-1	110.2	A63	R61-A63 VanDerWaalsContact C-N 3.27Å; R61-A63 PolarHBondContact O-N 2.85Å
62	P	97.4	Very high	97.2	Very high	15 Å²	15	56.8 Å²	56.8	10%	0.097	32%	0.319	C	S	.	.			trans	-82.7	-4.6	179.4	35.6	-37.3	0	0	0	113.2	G67 L71 A219 W224 A225	P62-G67 CarbonylContact O-C 3.55Å; P62-G67 WeakPolarHBondContact O-CA 3.3Å; P62-L71 HydrophobicContact CB-CD1 3.7Å; P62-A219 HydrophobicContact CB-CB 4.11Å; P62-W224 HydrophobicContact CG-CB 3.91Å; P62-W224 WeakPolarHBondContact CG-O 3.19Å; P62-A225 WeakPolarHBondContact CD-O 3.43Å
63	A	93.6	Very high	97.2	Very high	62 Å²	62	54.7 Å²	54.7	51%	0.512	31%	0.306	S	S	.	.			trans	-70.6	145.2	-170.2	0	0	0	0	0	113.6	R61 G67	R61-A63 VanDerWaalsContact C-N 3.27Å; R61-A63 PolarHBondContact O-N 2.85Å; A63-G67 PolarHBondContact O-N 2.89Å
64	G	93.5	Very high	97.1	Very high	54 Å²	54	49.8 Å²	49.8	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	72.4	-176.2	175.1	0	0	0	0	0	114.4	V66 G67 T68	G64-V66 VanDerWaalsContact C-N 3.33Å; G64-V66 PolarHBondContact O-N 2.69Å; G64-G67 PolarHBondContact O-N 2.78Å; G64-T68 WeakPolarHBondContact O-CB 3.37Å; G64-T68 PolarHBondContact O-N 2.86Å; G64-T68 PolarHBondContact O-OG1 2.81Å
65	A	94.4	Very high	97.1	Very high	21 Å²	21	50.7 Å²	50.7	17%	0.174	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-43.1	-178.4	0	0	0	0	0	112.6	T68 N69 P208 I210	A65-T68 PolarHBondContact O-N 2.88Å; A65-N69 WeakPolarHBondContact O-CB 3.42Å; A65-N69 PolarHBondContact O-N 2.89Å; A65-P208 HydrophobicContact CB-CG 3.98Å; A65-P208 WeakPolarHBondContact CB-O 3.46Å; A65-I210 HydrophobicContact CB-CG1 3.97Å
66	V	95.1	Very high	97	Very high	116 Å²	116	47.9 Å²	47.9	70%	0.703	28%	0.284	S	S	*	.	H	α-helix	trans	-66.3	-45.2	-179.8	179.5	0	0	0	0	111.3	G64 T68 N69 T70	G64-V66 VanDerWaalsContact C-N 3.33Å; G64-V66 PolarHBondContact O-N 2.69Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-T68 PolarHBondContact O-N 2.85Å; V66-N69 PolarHBondContact O-N 2.92Å; V66-T70 PolarHBondContact O-N 3.17Å; V66-T70 PolarHBondContact O-OG1 3.14Å
67	G	97.4	Very high	97	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-40.5	176.4	0	0	0	0	0	112.2	P62 A63 G64 T70 L71	P62-G67 CarbonylContact O-C 3.55Å; P62-G67 WeakPolarHBondContact O-CA 3.3Å; A63-G67 PolarHBondContact O-N 2.89Å; G64-G67 PolarHBondContact O-N 2.78Å; G67-T70 PolarHBondContact O-N 3.3Å; G67-L71 PolarHBondContact O-N 2.84Å
68	T	97.8	Very high	97	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-49.3	173.9	-57.9	0	0	0	0	111.2	G64 A65 V66 T70 L71 N72 I210 P212 A216	G64-T68 WeakPolarHBondContact O-CB 3.37Å; G64-T68 PolarHBondContact O-N 2.86Å; G64-T68 PolarHBondContact O-OG1 2.81Å; A65-T68 PolarHBondContact O-N 2.88Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-T68 PolarHBondContact O-N 2.85Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 2.91Å; T68-L71 PolarHBondContact O-N 2.77Å; T68-N72 PolarHBondContact O-N 3.1Å; T68-N72 PolarHBondContact O-OD1 2.69Å; T68-I210 HydrophobicContact CG2-CB 4.14Å; T68-I210 HydrophobicContact CG2-CG2 3.88Å; T68-P212 HydrophobicContact CG2-CB 3.84Å; T68-A216 HydrophobicContact CG2-CB 3.95Å
69	N	97.6	Very high	97	Very high	53 Å²	53	40.8 Å²	40.8	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-37.1	178.2	-175.3	60.8	0	0	0	112.4	Y19 A65 V66 N72 M73 I210	Y19-N69 VanDerWaalsContact OH-CG 3.22Å; Y19-N69 PolarHBondContact OH-ND2 2.8Å; Y19-N69 PolarHBondContact OH-OD1 3.22Å; A65-N69 WeakPolarHBondContact O-CB 3.42Å; A65-N69 PolarHBondContact O-N 2.89Å; V66-N69 PolarHBondContact O-N 2.92Å; N69-N72 PolarHBondContact O-N 3.23Å; N69-M73 PolarHBondContact O-N 2.98Å; N69-I210 HydrophobicContact CB-CG1 4.44Å; N69-I210 HydrophobicContact CB-CG2 4.22Å
70	T	98.2	Very high	97.1	Very high	30 Å²	30	43.5 Å²	43.5	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-45	176.3	-51.7	0	0	0	0	111.1	I60 V66 G67 T68 N72 M73 V74 W227	I60-T70 HydrophobicContact CG2-CG2 4.35Å; V66-T70 PolarHBondContact O-N 3.17Å; V66-T70 PolarHBondContact O-OG1 3.14Å; G67-T70 PolarHBondContact O-N 3.3Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 2.91Å; T70-N72 VanDerWaalsContact C-N 3.35Å; T70-N72 PolarHBondContact O-N 3.02Å; T70-M73 WeakPolarHBondContact O-CB 3.37Å; T70-M73 PolarHBondContact O-N 3.02Å; T70-V74 VanDerWaalsContact O-CG2 3.29Å; T70-V74 WeakPolarHBondContact O-CG2 3.49Å; T70-V74 PolarHBondContact O-N 2.91Å; T70-W227 HydrophobicContact CG2-CH2 4.18Å; T70-W227 HydrophobicContact CG2-CZ2 3.84Å
71	L	98.5	Very high	97	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-36.9	176.3	-71.9	177.8	0	0	0	112.5	P62 G67 T68 M73 V74 E75 L215 A216 A219 W224 W227	P62-L71 HydrophobicContact CB-CD1 3.7Å; G67-L71 PolarHBondContact O-N 2.84Å; T68-L71 PolarHBondContact O-N 2.77Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 2.96Å; L71-V74 PolarHBondContact O-N 3.12Å; L71-E75 WeakPolarHBondContact O-CB 3.45Å; L71-E75 PolarHBondContact O-N 2.88Å; L71-L215 HydrophobicContact CB-CD2 4.43Å; L71-L215 HydrophobicContact CB-CG 4.42Å; L71-L215 HydrophobicContact CD2-CD2 3.89Å; L71-L215 HydrophobicContact CD2-CG 4.05Å; L71-A216 HydrophobicContact CB-CB 4.02Å; L71-A216 HydrophobicContact CD1-CB 4.23Å; L71-A219 HydrophobicContact CD1-CB 3.5Å; L71-A219 VanDerWaalsContact CD1-CB 3.5Å; L71-W224 HydrophobicContact CD2-CZ3 4.4Å; L71-W227 HydrophobicContact CD2-CD2 4.11Å; L71-W227 HydrophobicContact CD2-CG 4.48Å; L71-W227 HydrophobicContact CD2-CH2 4.49Å; L71-W227 HydrophobicContact CD2-CZ2 3.73Å; L71-W227 HydrophobicContact CG-CZ2 4.47Å
72	N	97.9	Very high	97	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.214	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-36.4	173.2	-68.9	3.9	0	0	0	111.9	T68 N69 T70 G76 V211 G213	T68-N72 PolarHBondContact O-N 3.1Å; T68-N72 PolarHBondContact O-OD1 2.69Å; N69-N72 PolarHBondContact O-N 3.23Å; T70-N72 VanDerWaalsContact C-N 3.35Å; T70-N72 PolarHBondContact O-N 3.02Å; N72-G76 PolarHBondContact O-N 3.08Å; N72-V211 PolarHBondContact ND2-O 3.14Å; N72-G213 PolarHBondContact OD1-N 3.3Å
73	M	97.9	Very high	97.1	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.054	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-46	174.2	178.9	-177.1	-63.8	0	0	111.2	A15 F18 Y19 N69 T70 L71 E75 G76 L77 I240	A15-M73 HydrophobicContact CB-CE 3.95Å; F18-M73 HydrophobicContact CD1-CE 3.77Å; F18-M73 HydrophobicContact CD1-CG 4.15Å; F18-M73 HydrophobicContact CD1-SD 4.41Å; F18-M73 HydrophobicContact CE1-CB 4.36Å; F18-M73 HydrophobicContact CE1-CE 4.17Å; F18-M73 HydrophobicContact CE1-CG 3.79Å; F18-M73 HydrophobicContact CE2-CG 4.46Å; F18-M73 HydrophobicContact CG-CE 4.38Å; F18-M73 HydrophobicContact CZ-CG 3.93Å; Y19-M73 HydrophobicContact CD2-CE 4.18Å; Y19-M73 HydrophobicContact CE2-CE 3.25Å; Y19-M73 WeakPolarHBondContact OH-CE 3.49Å; N69-M73 PolarHBondContact O-N 2.98Å; T70-M73 WeakPolarHBondContact O-CB 3.37Å; T70-M73 PolarHBondContact O-N 3.02Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 2.96Å; M73-E75 VanDerWaalsContact C-N 3.34Å; M73-E75 PolarHBondContact O-N 3.37Å; M73-G76 CarbonylContact O-C 3.46Å; M73-G76 PolarHBondContact O-N 3.48Å; M73-G76 VanDerWaalsContact O-N 3.16Å; M73-L77 HydrophobicContact CG-CD1 4Å; M73-L77 VanDerWaalsContact O-CG 3.28Å; M73-L77 WeakPolarHBondContact O-CG 3.14Å; M73-L77 PolarHBondContact O-N 3.02Å; M73-I240 HydrophobicContact SD-CD1 3.78Å; M73-I240 HydrophobicContact SD-CG1 4.35Å
74	V	98.3	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-43.9	177.7	169.5	0	0	0	0	111.6	T70 L71 L77 G78 L79 I83 L215 W227 L236	T70-V74 VanDerWaalsContact O-CG2 3.29Å; T70-V74 WeakPolarHBondContact O-CG2 3.49Å; T70-V74 PolarHBondContact O-N 2.91Å; L71-V74 PolarHBondContact O-N 3.12Å; V74-L77 PolarHBondContact O-N 3.33Å; V74-G78 PolarHBondContact O-N 2.98Å; V74-L79 HydrophobicContact CG1-CB 3.78Å; V74-L79 PolarHBondContact O-N 3.24Å; V74-L79 VanDerWaalsContact O-N 3.13Å; V74-I83 HydrophobicContact CG1-CD1 3.73Å; V74-I83 HydrophobicContact CG1-CG1 4.3Å; V74-L215 HydrophobicContact CB-CD2 4.03Å; V74-L215 HydrophobicContact CG1-CD2 3.54Å; V74-W227 HydrophobicContact CG2-CH2 3.5Å; V74-W227 VanDerWaalsContact CG2-CH2 3.5Å; V74-W227 HydrophobicContact CG2-CZ2 4.25Å; V74-W227 HydrophobicContact CG2-CZ3 4.09Å; V74-L236 HydrophobicContact CG2-CD1 4.07Å
75	E	97.8	Very high	97.5	Very high	46 Å²	46	38.6 Å²	38.6	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-49	171.8	162.1	167.8	148.2	0	0	111.1	L71 M73 L77 G78 E80 H214 L215	L71-E75 WeakPolarHBondContact O-CB 3.45Å; L71-E75 PolarHBondContact O-N 2.88Å; M73-E75 VanDerWaalsContact C-N 3.34Å; M73-E75 PolarHBondContact O-N 3.37Å; E75-L77 PolarHBondContact O-N 2.96Å; E75-G78 PolarHBondContact O-N 2.76Å; E75-E80 WeakPolarHBondContact CA-OE1 3.48Å; E75-E80 HydrophobicContact CB-CG 4.46Å; E75-E80 VanDerWaalsContact CG-OE1 3.27Å; E75-E80 WeakPolarHBondContact CG-OE1 3.29Å; E75-H214 IonicContact OE1-CD2 3.67Å; E75-H214 PolarHBondContact OE1-N 3.37Å; E75-H214 WeakPolarHBondContact OE2-CA 3.22Å; E75-H214 PolarHBondContact OE2-N 2.65Å; E75-L215 HydrophobicContact CB-CB 4.09Å; E75-L215 HydrophobicContact CB-CD2 4.46Å; E75-L215 WeakPolarHBondContact OE2-CB 3.35Å; E75-L215 PolarHBondContact OE2-N 3.43Å
76	G	96.1	Very high	97.7	Very high	43 Å²	43	39.4 Å²	39.4	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-12.9	176	0	0	0	0	0	115.4	N72 M73	N72-G76 PolarHBondContact O-N 3.08Å; M73-G76 CarbonylContact O-C 3.46Å; M73-G76 PolarHBondContact O-N 3.48Å; M73-G76 VanDerWaalsContact O-N 3.16Å
77	L	97.4	Very high	97.7	Very high	29 Å²	29	35.6 Å²	35.6	15%	0.152	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.4	173.4	-67.5	166	0	0	0	112.6	F18 M73 V74 E75 L79 L236 I240 F243	F18-L77 HydrophobicContact CD2-CD2 4.29Å; F18-L77 HydrophobicContact CE2-CD2 3.77Å; F18-L77 HydrophobicContact CE2-CG 4.17Å; M73-L77 HydrophobicContact CG-CD1 4Å; M73-L77 VanDerWaalsContact O-CG 3.28Å; M73-L77 WeakPolarHBondContact O-CG 3.14Å; M73-L77 PolarHBondContact O-N 3.02Å; V74-L77 PolarHBondContact O-N 3.33Å; E75-L77 PolarHBondContact O-N 2.96Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 HydrophobicContact CB-CD1 4.17Å; L77-L79 HydrophobicContact CB-CG 4.09Å; L77-L79 HydrophobicContact CD1-CD1 4.31Å; L77-L79 PolarHBondContact O-N 2.96Å; L77-L236 HydrophobicContact CD1-CD1 3.83Å; L77-I240 HydrophobicContact CD1-CD1 4.48Å; L77-I240 HydrophobicContact CD1-CG1 3.6Å; L77-I240 HydrophobicContact CD2-CG1 4.36Å; L77-F243 HydrophobicContact CD2-CB 3.73Å; L77-F243 HydrophobicContact CD2-CD2 4.38Å; L77-F243 HydrophobicContact CD2-CG 4Å
78	G	97.6	Very high	97.6	Very high	58 Å²	58	41.1 Å²	41.1	60%	0.598	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	18.5	-178.4	0	0	0	0	0	114.6	V74 E75 E80	V74-G78 PolarHBondContact O-N 2.98Å; E75-G78 PolarHBondContact O-N 2.76Å; G78-E80 VanDerWaalsContact C-N 3.29Å; G78-E80 PolarHBondContact O-N 3.41Å
79	L	98.3	Very high	97.3	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-86.9	8.6	-174.5	-71.4	178.1	0	0	0	114.4	V74 L77 G81 D82 L229 T235 L236	V74-L79 HydrophobicContact CG1-CB 3.78Å; V74-L79 PolarHBondContact O-N 3.24Å; V74-L79 VanDerWaalsContact O-N 3.13Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 HydrophobicContact CB-CD1 4.17Å; L77-L79 HydrophobicContact CB-CG 4.09Å; L77-L79 HydrophobicContact CD1-CD1 4.31Å; L77-L79 PolarHBondContact O-N 2.96Å; L79-G81 VanDerWaalsContact C-N 3.25Å; L79-G81 PolarHBondContact O-N 2.9Å; L79-D82 PolarHBondContact O-N 3.43Å; L79-L229 HydrophobicContact CB-CD2 4.38Å; L79-L229 HydrophobicContact CD1-CD1 4.24Å; L79-T235 HydrophobicContact CD2-CG2 4.01Å; L79-L236 HydrophobicContact CD1-CD1 4.33Å
80	E	97.1	Very high	97.2	Very high	83 Å²	83	48.7 Å²	48.7	39%	0.388	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.7	-39.5	-177.2	-67.3	154.4	-159.4	0	0	112.9	E75 G78 D82 I83 L215	E75-E80 WeakPolarHBondContact CA-OE1 3.48Å; E75-E80 HydrophobicContact CB-CG 4.46Å; E75-E80 VanDerWaalsContact CG-OE1 3.27Å; E75-E80 WeakPolarHBondContact CG-OE1 3.29Å; G78-E80 VanDerWaalsContact C-N 3.29Å; G78-E80 PolarHBondContact O-N 3.41Å; E80-D82 PolarHBondContact O-N 2.95Å; E80-I83 PolarHBondContact O-N 3.31Å; E80-L215 HydrophobicContact CG-CB 4.43Å; E80-L215 HydrophobicContact CG-CD1 4.36Å; E80-L215 HydrophobicContact CG-CD2 4.13Å
81	G	97.4	Very high	96.9	Very high	54 Å²	54	51.8 Å²	51.8	56%	0.557	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.4	178.5	0	0	0	0	0	113.7	L79 K230	L79-G81 VanDerWaalsContact C-N 3.25Å; L79-G81 PolarHBondContact O-N 2.9Å; G81-K230 VanDerWaalsContact O-CE 3.25Å; G81-K230 WeakPolarHBondContact O-CE 3.34Å; G81-K230 PolarHBondContact O-NZ 3.01Å
82	D	97.9	Very high	96.5	Very high	52 Å²	52	54.5 Å²	54.5	28%	0.278	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-99	-2	-177.8	-71.6	-29.8	0	0	0	113.7	L79 E80 L84 L229 K230	L79-D82 PolarHBondContact O-N 3.43Å; E80-D82 PolarHBondContact O-N 2.95Å; D82-L84 PolarHBondContact O-N 3.44Å; D82-L229 HydrophobicContact CB-CD2 3.95Å; D82-L229 CarbonylContact O-C 3.49Å; D82-L229 VanDerWaalsContact O-CA 3.29Å; D82-L229 WeakPolarHBondContact O-CA 3.27Å; D82-K230 WeakPolarHBondContact O-CG 3.18Å; D82-K230 PolarHBondContact O-N 3.03Å
83	I	98.4	Very high	96	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.072	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.8	-177.5	-64.2	-72	0	0	0	111.6	V74 E80 P85 L215 W224 W227 L229	V74-I83 HydrophobicContact CG1-CD1 3.73Å; V74-I83 HydrophobicContact CG1-CG1 4.3Å; E80-I83 PolarHBondContact O-N 3.31Å; I83-P85 HydrophobicContact CG2-CB 4.32Å; I83-P85 WeakPolarHBondContact O-CD 3.08Å; I83-L215 HydrophobicContact CD1-CD2 4.49Å; I83-L215 HydrophobicContact CG1-CD1 4.42Å; I83-L215 HydrophobicContact CG1-CD2 4.28Å; I83-W224 HydrophobicContact CB-CH2 4.4Å; I83-W224 HydrophobicContact CG2-CE3 4.47Å; I83-W224 HydrophobicContact CG2-CH2 3.46Å; I83-W224 VanDerWaalsContact CG2-CH2 3.46Å; I83-W224 HydrophobicContact CG2-CZ2 4.34Å; I83-W224 HydrophobicContact CG2-CZ3 3.54Å; I83-W227 HydrophobicContact CD1-CD2 4.12Å; I83-W227 HydrophobicContact CD1-CE3 3.33Å; I83-W227 HydrophobicContact CD1-CZ3 3.58Å; I83-W227 HydrophobicContact CG2-CB 4.12Å; I83-L229 HydrophobicContact CD1-CD2 3.69Å; I83-L229 HydrophobicContact CG1-CD2 4.39Å
84	L	98.2	Very high	95.5	Very high	86 Å²	86	57.5 Å²	57.5	45%	0.45	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	93.1	168.6	-67.8	-176.5	0	0	0	109.4	D82 W227 S228 K230	D82-L84 PolarHBondContact O-N 3.44Å; L84-W227 CarbonylContact O-C 3.53Å; L84-W227 VanDerWaalsContact O-CA 3.28Å; L84-W227 WeakPolarHBondContact O-CA 3.22Å; L84-S228 PolarHBondContact N-O 3.47Å; L84-S228 PolarHBondContact O-N 3.07Å; L84-K230 HydrophobicContact CD1-CG 4.36Å; L84-K230 HydrophobicContact CD2-CG 3.81Å; L84-K230 HydrophobicContact CG-CG 3.92Å
85	P	98.1	Very high	95.2	Very high	50 Å²	50	59.8 Å²	59.8	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	151.4	-178	35	-33.2	0	0	0	112.5	I83 W224	I83-P85 HydrophobicContact CG2-CB 4.32Å; I83-P85 WeakPolarHBondContact O-CD 3.08Å; P85-W224 HydrophobicContact CB-CD2 3.37Å; P85-W224 HydrophobicContact CB-CE3 3.89Å; P85-W224 HydrophobicContact CB-CG 3.79Å; P85-W224 HydrophobicContact CB-CH2 4.08Å; P85-W224 HydrophobicContact CB-CZ2 3.57Å; P85-W224 HydrophobicContact CB-CZ3 4.22Å; P85-W224 HydrophobicContact CG-CD2 4.42Å; P85-W224 HydrophobicContact CG-CH2 4.43Å; P85-W224 HydrophobicContact CG-CZ2 3.76Å
86	V	97.9	Very high	94.9	Very high	38 Å²	38	64.8 Å²	64.8	23%	0.23	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.8	168.8	-172.1	0	0	0	0	108.3	H90 A92 S93 A225 Q226	V86-H90 HydrophobicContact CG1-CB 3.82Å; V86-A92 HydrophobicContact CG1-CB 4.23Å; V86-S93 VanDerWaalsContact CG1-OG 3.29Å; V86-S93 WeakPolarHBondContact CG1-OG 3.44Å; V86-A225 PolarHBondContact O-N 3.19Å; V86-Q226 HydrophobicContact CB-CG 4.01Å; V86-Q226 HydrophobicContact CG2-CG 4.28Å; V86-Q226 PolarHBondContact N-O 3.38Å; V86-Q226 PolarHBondContact O-N 2.9Å
87	S	96.9	Very high	94.9	Very high	36 Å²	36	68.5 Å²	68.5	25%	0.252	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	160	179.2	72.8	0	0	0	0	112.3	N89 H90 S93 A223	S87-N89 PolarHBondContact O-N 3.26Å; S87-N89 PolarHBondContact OG-N 2.93Å; S87-H90 WeakPolarHBondContact O-CB 3.34Å; S87-H90 PolarHBondContact O-N 3.16Å; S87-H90 PolarHBondContact OG-N 2.71Å; S87-S93 WeakPolarHBondContact O-CB 3.32Å; S87-S93 PolarHBondContact O-OG 3.38Å; S87-A223 CarbonylContact C-O 3.57Å; S87-A223 VanDerWaalsContact CA-O 3.26Å; S87-A223 WeakPolarHBondContact CA-O 3.15Å
88	Y	93.4	Very high	94.8	Very high	119 Å²	119	67.7 Å²	67.7	47%	0.467	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.8	170.6	-78.3	-72.3	0	0	0	112.9	K94 A223 W224 A225	Y88-K94 WeakPolarHBondContact O-CE 3.32Å; Y88-K94 WeakPolarHBondContact O-CG 3.16Å; Y88-A223 HydrophobicContact CD2-CB 4.41Å; Y88-A223 VanDerWaalsContact CD2-O 3.23Å; Y88-A223 WeakPolarHBondContact CD2-O 3.3Å; Y88-A223 PolarHBondContact N-O 2.83Å; Y88-W224 WeakPolarHBondContact CE2-O 3.47Å; Y88-A225 HydrophobicContact CD1-CB 3.61Å; Y88-A225 HydrophobicContact CD2-CB 4.11Å; Y88-A225 HydrophobicContact CE1-CB 3.65Å; Y88-A225 HydrophobicContact CE2-CB 4.14Å; Y88-A225 HydrophobicContact CG-CB 3.84Å
89	N	92.4	Very high	94.8	Very high	119 Å²	119	72.8 Å²	72.8	64%	0.636	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-20	178.9	-76.1	-24.5	0	0	0	113.7	S87 K94	S87-N89 PolarHBondContact O-N 3.26Å; S87-N89 PolarHBondContact OG-N 2.93Å; N89-K94 VanDerWaalsContact O-CE 3.25Å; N89-K94 WeakPolarHBondContact O-CE 3.3Å; N89-K94 PolarHBondContact O-NZ 3.46Å
90	H	95.1	Very high	94.7	Very high	102 Å²	102	73.5 Å²	73.5	47%	0.472	38%	0.375	S	S	.	.	S	Bend	trans	-71.6	146.1	-179.9	-164.1	-94.5	0	0	0	112.4	V86 S87 A92 S93 K94	V86-H90 HydrophobicContact CG1-CB 3.82Å; S87-H90 WeakPolarHBondContact O-CB 3.34Å; S87-H90 PolarHBondContact O-N 3.16Å; S87-H90 PolarHBondContact OG-N 2.71Å; H90-A92 VanDerWaalsContact ND1-CB 3.32Å; H90-A92 WeakPolarHBondContact ND1-CB 3.35Å; H90-A92 PolarHBondContact ND1-N 3.37Å; H90-A92 PolarHBondContact O-N 2.93Å; H90-S93 PolarHBondContact O-N 3.42Å; H90-K94 PolarHBondContact O-N 3.13Å
91	V	92.5	Very high	94.6	Very high	95 Å²	95	77 Å²	77	58%	0.576	40%	0.396	S	S	*	.	H	α-helix	trans	-57.9	-34.8	-179	-65.8	0	0	0	0	112.8	S93 K94 N95	V91-S93 PolarHBondContact O-N 3.27Å; V91-K94 PolarHBondContact O-N 2.99Å; V91-N95 PolarHBondContact O-N 3.25Å; V91-N95 PolarHBondContact O-ND2 2.83Å
92	A	90.1	Very high	94.5	Very high	58 Å²	58	76.8 Å²	76.8	48%	0.479	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-23.9	176.6	0	0	0	0	0	113.7	V86 H90	V86-A92 HydrophobicContact CG1-CB 4.23Å; H90-A92 VanDerWaalsContact ND1-CB 3.32Å; H90-A92 WeakPolarHBondContact ND1-CB 3.35Å; H90-A92 PolarHBondContact ND1-N 3.37Å; H90-A92 PolarHBondContact O-N 2.93Å
93	S	88	Confident	94.5	Very high	6 Å²	6	80.3 Å²	80.3	4%	0.042	41%	0.409	C	S	.	.	H	α-helix	trans	-94.6	-30.6	179.1	-60.6	0	0	0	0	112.8	V86 S87 H90 V91 R96 A225	V86-S93 VanDerWaalsContact CG1-OG 3.29Å; V86-S93 WeakPolarHBondContact CG1-OG 3.44Å; S87-S93 WeakPolarHBondContact O-CB 3.32Å; S87-S93 PolarHBondContact O-OG 3.38Å; H90-S93 PolarHBondContact O-N 3.42Å; V91-S93 PolarHBondContact O-N 3.27Å; S93-R96 PolarHBondContact O-NH1 3.45Å; S93-A225 WeakPolarHBondContact OG-CB 3.39Å
94	K	87.4	Confident	94.4	Very high	108 Å²	108	85.4 Å²	85.4	47%	0.47	44%	0.436	S	S	.	.	H	α-helix	trans	-78.9	-27	-175.9	-71.9	-175.5	173.6	163.6	0	113.9	Y88 N89 H90 V91	Y88-K94 WeakPolarHBondContact O-CE 3.32Å; Y88-K94 WeakPolarHBondContact O-CG 3.16Å; N89-K94 VanDerWaalsContact O-CE 3.25Å; N89-K94 WeakPolarHBondContact O-CE 3.3Å; N89-K94 PolarHBondContact O-NZ 3.46Å; H90-K94 PolarHBondContact O-N 3.13Å; V91-K94 PolarHBondContact O-N 2.99Å
95	N	90.3	Very high	94.3	Very high	48 Å²	48	82.8 Å²	82.8	26%	0.257	42%	0.421	S	S	.	.			trans	-111.7	113.7	-168.8	-57.6	-37.3	0	0	0	110.4	V91 Y97 K106	V91-N95 PolarHBondContact O-N 3.25Å; V91-N95 PolarHBondContact O-ND2 2.83Å; N95-Y97 HydrophobicContact CB-CE2 3.63Å; N95-K106 WeakPolarHBondContact OD1-CE 3.12Å; N95-K106 PolarHBondContact OD1-NZ 3.38Å
96	R	92.8	Very high	94.1	Very high	151 Å²	151	84.5 Å²	84.5	57%	0.57	42%	0.423	S	S	*	.			trans	-120.9	144.9	166.5	-70.4	176.1	177.1	70.5	6.8	107.9	S93 L107	S93-R96 PolarHBondContact O-NH1 3.45Å; R96-L107 HydrophobicContact CB-CB 4.4Å; R96-L107 HydrophobicContact CB-CD1 3.87Å; R96-L107 PolarHBondContact O-N 3.18Å
97	Y	95.8	Very high	93.9	Very high	121 Å²	121	85 Å²	85	48%	0.475	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.7	-174.1	-62	-96.6	0	0	0	110.8	N95 L104 H105 K106	N95-Y97 HydrophobicContact CB-CE2 3.63Å; Y97-L104 HydrophobicContact CD1-CB 4.27Å; Y97-H105 CarbonylContact C-O 3.49Å; Y97-H105 WeakPolarHBondContact CA-O 3.47Å; Y97-K106 HydrophobicContact CD1-CB 3.91Å; Y97-K106 HydrophobicContact CE1-CB 3.68Å; Y97-K106 HydrophobicContact CE1-CG 4.18Å
98	L	96.2	Very high	93.6	Very high	13 Å²	13	84.8 Å²	84.8	7%	0.068	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.5	164.9	-64.3	-176.8	0	0	0	108.6	V100 H105 L107 P120 F121 L160 S164	L98-V100 HydrophobicContact CB-CG2 4.08Å; L98-H105 PolarHBondContact N-O 3.01Å; L98-H105 PolarHBondContact O-N 2.83Å; L98-L107 HydrophobicContact CD1-CD2 3.63Å; L98-L107 HydrophobicContact CD1-CG 4.49Å; L98-L107 HydrophobicContact CD2-CD2 4.47Å; L98-L107 HydrophobicContact CG-CD2 3.73Å; L98-L107 HydrophobicContact CG-CG 4.05Å; L98-P120 HydrophobicContact CD1-CG 4.31Å; L98-F121 HydrophobicContact CD1-CZ 4.47Å; L98-L160 HydrophobicContact CD1-CB 4.41Å; L98-S164 VanDerWaalsContact CD2-CB 3.5Å; L98-S164 WeakPolarHBondContact CD2-OG 3.46Å
99	Y	96.8	Very high	93.2	Very high	165 Å²	165	82.1 Å²	82.1	65%	0.647	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	109.5	170.9	-175.2	-105.3	0	0	0	109.2	G102 Q103 L104	Y99-G102 VanDerWaalsContact CE2-C 3.44Å; Y99-G102 WeakPolarHBondContact OH-CA 3.4Å; Y99-Q103 WeakPolarHBondContact CA-O 3.42Å; Y99-L104 HydrophobicContact CD2-CD2 4.01Å; Y99-L104 HydrophobicContact CD2-CG 4.17Å
100	V	95.9	Very high	93	Very high	26 Å²	26	79.1 Å²	79.1	16%	0.158	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.8	-175.9	-176.8	0	0	0	0	108.7	L98 G102 Q103 H105 P120 L160	L98-V100 HydrophobicContact CB-CG2 4.08Å; V100-G102 VanDerWaalsContact C-N 3.32Å; V100-G102 PolarHBondContact O-N 3.19Å; V100-Q103 PolarHBondContact N-O 3.44Å; V100-Q103 PolarHBondContact O-N 3.3Å; V100-H105 PolarHBondContact O-NE2 3.47Å; V100-H105 VanDerWaalsContact O-NE2 3.11Å; V100-P120 HydrophobicContact CB-CB 4.08Å; V100-P120 HydrophobicContact CB-CG 4.35Å; V100-P120 HydrophobicContact CG1-CB 4.11Å; V100-P120 HydrophobicContact CG2-CB 4.26Å; V100-P120 HydrophobicContact CG2-CG 3.98Å; V100-L160 HydrophobicContact CG1-CD2 4.37Å; V100-L160 HydrophobicContact CG2-CD2 4.3Å
101	N	94.4	Very high	92.7	Very high	155 Å²	155	80.7 Å²	80.7	83%	0.829	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	46.2	178	-58.6	-21.5	0	0	0	113.5	Q103	N101-Q103 VanDerWaalsContact C-N 3.3Å; N101-Q103 PolarHBondContact O-N 2.9Å
102	G	96.2	Very high	92.6	Very high	51 Å²	51	79.7 Å²	79.7	53%	0.526	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.9	176	0	0	0	0	0	115.4	Y99 V100	Y99-G102 VanDerWaalsContact CE2-C 3.44Å; Y99-G102 WeakPolarHBondContact OH-CA 3.4Å; V100-G102 VanDerWaalsContact C-N 3.32Å; V100-G102 PolarHBondContact O-N 3.19Å
103	Q	97	Very high	92.6	Very high	125 Å²	125	77.2 Å²	77.2	58%	0.584	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.4	-174.4	-62.9	-175.3	3.8	0	0	112.9	Y99 V100 N101 H105	Y99-Q103 WeakPolarHBondContact CA-O 3.42Å; V100-Q103 PolarHBondContact N-O 3.44Å; V100-Q103 PolarHBondContact O-N 3.3Å; N101-Q103 VanDerWaalsContact C-N 3.3Å; N101-Q103 PolarHBondContact O-N 2.9Å; Q103-H105 PolarHBondContact O-CD2 3.16Å; Q103-H105 VanDerWaalsContact O-CD2 3.3Å
104	L	97.3	Very high	92.7	Very high	122 Å²	122	79.9 Å²	79.9	64%	0.639	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.4	171.5	-73.7	172.6	0	0	0	110.3	Y97 Y99	Y97-L104 HydrophobicContact CD1-CB 4.27Å; Y99-L104 HydrophobicContact CD2-CD2 4.01Å; Y99-L104 HydrophobicContact CD2-CG 4.17Å
105	H	96	Very high	93	Very high	30 Å²	30	79.1 Å²	79.1	14%	0.139	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.9	177.1	-59.7	-76.7	0	0	0	109.7	Y97 L98 V100 Q103 L107 A119 P120	Y97-H105 CarbonylContact C-O 3.49Å; Y97-H105 WeakPolarHBondContact CA-O 3.47Å; L98-H105 PolarHBondContact N-O 3.01Å; L98-H105 PolarHBondContact O-N 2.83Å; V100-H105 PolarHBondContact O-NE2 3.47Å; V100-H105 VanDerWaalsContact O-NE2 3.11Å; Q103-H105 PolarHBondContact O-CD2 3.16Å; Q103-H105 VanDerWaalsContact O-CD2 3.3Å; H105-L107 PolarHBondContact O-N 3.32Å; H105-A119 WeakPolarHBondContact ND1-CB 3.29Å; H105-P120 HydrophobicContact CB-CG 4.36Å
106	K	94.7	Very high	93.1	Very high	86 Å²	86	83.6 Å²	83.6	37%	0.374	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.3	175.3	-176	174.7	165.8	175.7	0	109.4	N95 Y97	N95-K106 WeakPolarHBondContact OD1-CE 3.12Å; N95-K106 PolarHBondContact OD1-NZ 3.38Å; Y97-K106 HydrophobicContact CD1-CB 3.91Å; Y97-K106 HydrophobicContact CE1-CB 3.68Å; Y97-K106 HydrophobicContact CE1-CG 4.18Å
107	L	92.9	Very high	93.2	Very high	48 Å²	48	80.2 Å²	80.2	25%	0.251	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-60.6	141.5	175.5	-82	176.4	0	0	0	110.8	R96 L98 H105 S109 F121	R96-L107 HydrophobicContact CB-CB 4.4Å; R96-L107 HydrophobicContact CB-CD1 3.87Å; R96-L107 PolarHBondContact O-N 3.18Å; L98-L107 HydrophobicContact CD1-CD2 3.63Å; L98-L107 HydrophobicContact CD1-CG 4.49Å; L98-L107 HydrophobicContact CD2-CD2 4.47Å; L98-L107 HydrophobicContact CG-CD2 3.73Å; L98-L107 HydrophobicContact CG-CG 4.05Å; H105-L107 PolarHBondContact O-N 3.32Å; L107-S109 PolarHBondContact O-N 3.07Å; L107-F121 HydrophobicContact CD2-CE2 4.25Å; L107-F121 HydrophobicContact CD2-CZ 4.38Å
108	P	90.1	Very high	93.1	Very high	32 Å²	32	76.5 Å²	76.5	21%	0.208	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-59.1	135.3	177.6	-20	30.8	0	0	0	111.3	G113 V118 F121 L125	P108-G113 VanDerWaalsContact CB-O 3.29Å; P108-G113 WeakPolarHBondContact CB-O 3.49Å; P108-V118 HydrophobicContact CB-CB 4.5Å; P108-V118 HydrophobicContact CG-CB 3.93Å; P108-V118 HydrophobicContact CG-CG1 4.05Å; P108-V118 HydrophobicContact CG-CG2 4.46Å; P108-F121 HydrophobicContact CG-CD2 4.1Å; P108-F121 HydrophobicContact CG-CE2 4.01Å; P108-L125 HydrophobicContact CB-CD1 4.25Å; P108-L125 HydrophobicContact CG-CD1 3.97Å
109	S	86.4	Confident	92.9	Very high	64 Å²	64	78.5 Å²	78.5	45%	0.448	44%	0.441	S	S	.	.			trans	-133	140.6	-178.4	64.4	0	0	0	0	111	L107	L107-S109 PolarHBondContact O-N 3.07Å
110	G	87.1	Confident	92.8	Very high	56 Å²	56	71.9 Å²	71.9	58%	0.577	42%	0.419	S	S	*	.	H	α-helix	trans	67.9	-174.5	-178.6	0	0	0	0	0	113.2	S112 G113	G110-S112 PolarHBondContact O-N 3.2Å; G110-G113 PolarHBondContact O-N 3.14Å
111	I	88.8	Confident	92.8	Very high	134 Å²	134	71.1 Å²	71.1	69%	0.687	41%	0.413	S	S	*	.	H	α-helix	trans	-64	-42.9	-175.3	-59.8	173.1	0	0	0	110.9	G113 I114 L115	I111-G113 VanDerWaalsContact C-N 3.28Å; I111-G113 PolarHBondContact O-N 3.47Å; I111-I114 PolarHBondContact O-N 2.89Å; I111-L115 HydrophobicContact CG2-CD1 3.77Å; I111-L115 HydrophobicContact CG2-CG 4.15Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.49Å; I111-L115 VanDerWaalsContact O-N 3.12Å
112	S	90.1	Very high	92.9	Very high	75 Å²	75	68 Å²	68	52%	0.524	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-35.6	-179.1	58.4	0	0	0	0	113.1	G110 I114 L115 K116	G110-S112 PolarHBondContact O-N 3.2Å; S112-I114 VanDerWaalsContact C-N 3.3Å; S112-I114 PolarHBondContact O-N 2.9Å; S112-L115 PolarHBondContact O-N 3.13Å; S112-K116 WeakPolarHBondContact O-CB 3.31Å; S112-K116 PolarHBondContact O-N 3.3Å; S112-K116 VanDerWaalsContact O-N 3.07Å
113	G	90.1	Very high	92.8	Very high	6 Å²	6	71.2 Å²	71.2	6%	0.062	40%	0.4	C	S	.	.	H	α-helix	trans	-68.7	-26.9	176	0	0	0	0	0	113.6	P108 G110 I111	P108-G113 VanDerWaalsContact CB-O 3.29Å; P108-G113 WeakPolarHBondContact CB-O 3.49Å; G110-G113 PolarHBondContact O-N 3.14Å; I111-G113 VanDerWaalsContact C-N 3.28Å; I111-G113 PolarHBondContact O-N 3.47Å
114	I	90.5	Very high	92.6	Very high	61 Å²	61	66.2 Å²	66.2	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-78.7	-37.6	176.5	-64.4	168.9	0	0	0	110.8	I111 S112 L125 L126 L129	I111-I114 PolarHBondContact O-N 2.89Å; S112-I114 VanDerWaalsContact C-N 3.3Å; S112-I114 PolarHBondContact O-N 2.9Å; I114-L125 HydrophobicContact CG2-CB 4.46Å; I114-L125 PolarHBondContact O-N 3.25Å; I114-L126 HydrophobicContact CG2-CB 4.11Å; I114-L126 HydrophobicContact CG2-CD1 4.4Å; I114-L126 PolarHBondContact O-N 2.89Å; I114-L129 HydrophobicContact CG2-CD1 3.67Å
115	L	93.3	Very high	92.4	Very high	92 Å²	92	61.9 Å²	61.9	48%	0.482	36%	0.356	S	S	.	.	H	α-helix	trans	-79.9	-30.1	-175.3	-63.6	179.6	0	0	0	114	I111 S112 P124 L126	I111-L115 HydrophobicContact CG2-CD1 3.77Å; I111-L115 HydrophobicContact CG2-CG 4.15Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.49Å; I111-L115 VanDerWaalsContact O-N 3.12Å; S112-L115 PolarHBondContact O-N 3.13Å; L115-P124 WeakPolarHBondContact O-CB 3.38Å; L115-L126 HydrophobicContact CD2-CB 4.47Å; L115-L126 HydrophobicContact CD2-CD1 4.17Å; L115-L126 HydrophobicContact CD2-CD2 3.66Å; L115-L126 HydrophobicContact CD2-CG 4.31Å
116	K	93.8	Very high	92.3	Very high	143 Å²	143	63.2 Å²	63.2	62%	0.622	36%	0.364	S	S	*	.	S	Bend	trans	-96.4	152.3	-179.8	-65.7	-176.6	177.6	-174.7	0	111.1	S112 V118	S112-K116 WeakPolarHBondContact O-CB 3.31Å; S112-K116 PolarHBondContact O-N 3.3Å; S112-K116 VanDerWaalsContact O-N 3.07Å; K116-V118 HydrophobicContact CB-CG2 4.44Å; K116-V118 PolarHBondContact O-N 2.98Å
117	T	94.3	Very high	92.3	Very high	80 Å²	80	64.6 Å²	64.6	49%	0.491	37%	0.37	S	S	.	.			trans	-69.8	123.1	164	-51.9	0	0	0	0	108.3	F121 P124	T117-F121 VanDerWaalsContact CG2-O 3.27Å; T117-F121 WeakPolarHBondContact CG2-O 3.33Å; T117-P124 WeakPolarHBondContact OG1-CD 3.39Å; T117-P124 WeakPolarHBondContact OG1-CG 3.25Å
118	V	93	Very high	92.2	Very high	43 Å²	43	62.7 Å²	62.7	26%	0.261	36%	0.36	S	S	.	.			trans	-127.4	123.9	179.5	176.7	0	0	0	0	106.9	P108 K116 F121	P108-V118 HydrophobicContact CB-CB 4.5Å; P108-V118 HydrophobicContact CG-CB 3.93Å; P108-V118 HydrophobicContact CG-CG1 4.05Å; P108-V118 HydrophobicContact CG-CG2 4.46Å; K116-V118 HydrophobicContact CB-CG2 4.44Å; K116-V118 PolarHBondContact O-N 2.98Å; V118-F121 WeakPolarHBondContact O-CB 3.28Å; V118-F121 WeakPolarHBondContact O-CD2 3.31Å; V118-F121 PolarHBondContact O-N 3.48Å
119	A	93.3	Very high	92.2	Very high	54 Å²	54	64.2 Å²	64.2	45%	0.446	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	143.1	176.1	0	0	0	0	0	110.4	H105	H105-A119 WeakPolarHBondContact ND1-CB 3.29Å
120	P	94.6	Very high	92.4	Very high	27 Å²	27	66.1 Å²	66.1	18%	0.175	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.6	10.9	9.3	36.8	-33	0	0	0	114.1	L98 V100 H105 L160	L98-P120 HydrophobicContact CD1-CG 4.31Å; V100-P120 HydrophobicContact CB-CB 4.08Å; V100-P120 HydrophobicContact CB-CG 4.35Å; V100-P120 HydrophobicContact CG1-CB 4.11Å; V100-P120 HydrophobicContact CG2-CB 4.26Å; V100-P120 HydrophobicContact CG2-CG 3.98Å; H105-P120 HydrophobicContact CB-CG 4.36Å; P120-L160 HydrophobicContact CB-CD1 4.27Å; P120-L160 HydrophobicContact CG-CD1 4.01Å
121	F	95.5	Very high	92.7	Very high	9 Å²	9	66.8 Å²	66.8	4%	0.039	36%	0.364	C	S	.	.			trans	-77.7	138.8	-178.9	-56	-74.7	0	0	0	111.2	L98 L107 P108 T117 V118 R123 L125 E156 L157 L160 A161	L98-F121 HydrophobicContact CD1-CZ 4.47Å; L107-F121 HydrophobicContact CD2-CE2 4.25Å; L107-F121 HydrophobicContact CD2-CZ 4.38Å; P108-F121 HydrophobicContact CG-CD2 4.1Å; P108-F121 HydrophobicContact CG-CE2 4.01Å; T117-F121 VanDerWaalsContact CG2-O 3.27Å; T117-F121 WeakPolarHBondContact CG2-O 3.33Å; V118-F121 WeakPolarHBondContact O-CB 3.28Å; V118-F121 WeakPolarHBondContact O-CD2 3.31Å; V118-F121 PolarHBondContact O-N 3.48Å; F121-R123 VanDerWaalsContact C-N 3.32Å; F121-L125 HydrophobicContact CB-CD2 4.42Å; F121-L125 HydrophobicContact CD1-CD2 4.07Å; F121-L125 HydrophobicContact CD2-CD2 4.16Å; F121-L125 HydrophobicContact CE1-CD2 4.43Å; F121-L125 HydrophobicContact CG-CD2 3.94Å; F121-E156 HydrophobicContact CD1-CG 4.05Å; F121-L157 HydrophobicContact CD1-CD2 4.45Å; F121-L157 HydrophobicContact CE1-CD2 3.78Å; F121-L157 HydrophobicContact CE1-CG 4.46Å; F121-L157 HydrophobicContact CZ-CD2 4.2Å; F121-L160 HydrophobicContact CD1-CD1 4.4Å; F121-L160 HydrophobicContact CE1-CB 4.18Å; F121-L160 HydrophobicContact CE1-CD1 4.4Å; F121-A161 HydrophobicContact CE1-CB 4.39Å; F121-A161 HydrophobicContact CZ-CB 4.14Å
122	S	95.1	Very high	93	Very high	91 Å²	91	60.4 Å²	60.4	64%	0.636	33%	0.331	S	S	*	.	S	Bend	trans	-76.7	-17.8	-177.8	53.5	0	0	0	0	113.7	E156	S122-E156 WeakPolarHBondContact CB-OE1 3.28Å; S122-E156 PolarHBondContact N-OE1 3.4Å; S122-E156 PolarHBondContact N-OE2 3.28Å; S122-E156 VanDerWaalsContact OG-CD 3.29Å; S122-E156 PolarHBondContact OG-OE1 3.12Å; S122-E156 PolarHBondContact OG-OE2 2.92Å
123	R	94.1	Very high	93.1	Very high	117 Å²	117	60.8 Å²	60.8	44%	0.442	33%	0.327	S	S	.	.	S	Bend	trans	-147.1	165.4	-179.3	65.7	-176.1	-174.6	177.9	4.7	112.1	F121	F121-R123 VanDerWaalsContact C-N 3.32Å
124	P	94.3	Very high	93.3	Very high	21 Å²	21	67.6 Å²	67.6	14%	0.136	36%	0.361	C	S	.	.			trans	-60.5	138.5	174.9	-22.2	34.1	0	0	0	111.9	L115 T117 L126 F127	L115-P124 WeakPolarHBondContact O-CB 3.38Å; T117-P124 WeakPolarHBondContact OG1-CD 3.39Å; T117-P124 WeakPolarHBondContact OG1-CG 3.25Å; P124-L126 PolarHBondContact O-N 3.16Å; P124-F127 HydrophobicContact CB-CD2 4.05Å; P124-F127 HydrophobicContact CB-CE2 4.34Å; P124-F127 HydrophobicContact CG-CD2 4.1Å; P124-F127 HydrophobicContact CG-CE2 3.98Å; P124-F127 PolarHBondContact O-N 3.01Å
125	L	93.6	Very high	93.5	Very high	30 Å²	30	66.2 Å²	66.2	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-23.4	178.9	-60.6	-171.7	0	0	0	112.5	P108 I114 F121 F127 S128 L129 L157	P108-L125 HydrophobicContact CB-CD1 4.25Å; P108-L125 HydrophobicContact CG-CD1 3.97Å; I114-L125 HydrophobicContact CG2-CB 4.46Å; I114-L125 PolarHBondContact O-N 3.25Å; F121-L125 HydrophobicContact CB-CD2 4.42Å; F121-L125 HydrophobicContact CD1-CD2 4.07Å; F121-L125 HydrophobicContact CD2-CD2 4.16Å; F121-L125 HydrophobicContact CE1-CD2 4.43Å; F121-L125 HydrophobicContact CG-CD2 3.94Å; L125-F127 PolarHBondContact O-N 3.23Å; L125-S128 PolarHBondContact O-N 3.44Å; L125-L129 PolarHBondContact O-N 2.93Å; L125-L157 HydrophobicContact CD2-CD1 4.26Å; L125-L157 HydrophobicContact CD2-CD2 3.87Å; L125-L157 HydrophobicContact CD2-CG 4.21Å
126	L	94	Very high	93.5	Very high	58 Å²	58	70.7 Å²	70.7	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-50.7	-41.1	174.8	-176.7	68.8	0	0	0	112.3	I114 L115 P124 S128 L129 L130	I114-L126 HydrophobicContact CG2-CB 4.11Å; I114-L126 HydrophobicContact CG2-CD1 4.4Å; I114-L126 PolarHBondContact O-N 2.89Å; L115-L126 HydrophobicContact CD2-CB 4.47Å; L115-L126 HydrophobicContact CD2-CD1 4.17Å; L115-L126 HydrophobicContact CD2-CD2 3.66Å; L115-L126 HydrophobicContact CD2-CG 4.31Å; P124-L126 PolarHBondContact O-N 3.16Å; L126-S128 PolarHBondContact O-N 3.15Å; L126-L129 PolarHBondContact O-N 3.25Å; L126-L130 HydrophobicContact CD1-CD1 4.2Å; L126-L130 HydrophobicContact CD1-CD2 4.48Å; L126-L130 HydrophobicContact CD1-CG 4.09Å; L126-L130 HydrophobicContact CD2-CD1 4.12Å; L126-L130 HydrophobicContact CG-CD1 3.79Å; L126-L130 HydrophobicContact CG-CG 4.08Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 2.83Å
127	F	92.8	Very high	93.5	Very high	116 Å²	116	68.8 Å²	68.8	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-47.7	-178.7	-78.1	-80.9	0	0	0	111.5	P124 L125 L129 L130 T131	P124-F127 HydrophobicContact CB-CD2 4.05Å; P124-F127 HydrophobicContact CB-CE2 4.34Å; P124-F127 HydrophobicContact CG-CD2 4.1Å; P124-F127 HydrophobicContact CG-CE2 3.98Å; P124-F127 PolarHBondContact O-N 3.01Å; L125-F127 PolarHBondContact O-N 3.23Å; F127-L129 VanDerWaalsContact C-N 3.3Å; F127-L129 PolarHBondContact O-N 3.08Å; F127-L130 PolarHBondContact O-N 3.09Å; F127-T131 WeakPolarHBondContact O-CG2 3.23Å; F127-T131 PolarHBondContact O-N 3.18Å; F127-T131 PolarHBondContact O-OG1 3.25Å
128	S	92	Very high	93.3	Very high	7 Å²	7	65.8 Å²	65.8	5%	0.049	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-42.5	176.6	-71.6	0	0	0	0	111.4	L125 L126 T131 E132 L153	L125-S128 PolarHBondContact O-N 3.44Å; L126-S128 PolarHBondContact O-N 3.15Å; S128-T131 PolarHBondContact O-OG1 3.11Å; S128-E132 VanDerWaalsContact O-CB 3.28Å; S128-E132 WeakPolarHBondContact O-CB 3.47Å; S128-E132 PolarHBondContact O-N 2.89Å; S128-L153 WeakPolarHBondContact CB-O 3.34Å; S128-L153 PolarHBondContact OG-O 3.49Å
129	L	90.3	Very high	93.1	Very high	64 Å²	64	75.4 Å²	75.4	34%	0.335	38%	0.379	S	S	.	.	H	α-helix	trans	-65.4	-42.6	179	-64.3	173.8	0	0	0	113	I114 L125 L126 F127 E132 L153 T197	I114-L129 HydrophobicContact CG2-CD1 3.67Å; L125-L129 PolarHBondContact O-N 2.93Å; L126-L129 PolarHBondContact O-N 3.25Å; F127-L129 VanDerWaalsContact C-N 3.3Å; F127-L129 PolarHBondContact O-N 3.08Å; L129-E132 WeakPolarHBondContact O-CB 3.22Å; L129-E132 PolarHBondContact O-N 2.98Å; L129-L153 HydrophobicContact CD2-CD2 4.27Å; L129-T197 HydrophobicContact CB-CG2 4.28Å; L129-T197 HydrophobicContact CD2-CG2 4.06Å
130	L	90.8	Very high	93	Very high	104 Å²	104	79.6 Å²	79.6	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-41.4	179.4	-69.4	176.4	0	0	0	111.7	L126 F127 E132	L126-L130 HydrophobicContact CD1-CD1 4.2Å; L126-L130 HydrophobicContact CD1-CD2 4.48Å; L126-L130 HydrophobicContact CD1-CG 4.09Å; L126-L130 HydrophobicContact CD2-CD1 4.12Å; L126-L130 HydrophobicContact CG-CD1 3.79Å; L126-L130 HydrophobicContact CG-CG 4.08Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 2.83Å; F127-L130 PolarHBondContact O-N 3.09Å; L130-E132 VanDerWaalsContact C-N 3.3Å; L130-E132 PolarHBondContact O-N 3.21Å
131	T	92.4	Very high	92.9	Very high	70 Å²	70	85.4 Å²	85.4	43%	0.429	41%	0.414	S	S	.	.	H	α-helix	trans	-73.1	-23.8	178.6	56.3	0	0	0	0	113	F127 S128 I133 L134	F127-T131 WeakPolarHBondContact O-CG2 3.23Å; F127-T131 PolarHBondContact O-N 3.18Å; F127-T131 PolarHBondContact O-OG1 3.25Å; S128-T131 PolarHBondContact O-OG1 3.11Å; T131-I133 VanDerWaalsContact C-N 3.25Å; T131-I133 PolarHBondContact O-N 3.27Å; T131-L134 WeakPolarHBondContact O-CB 3.49Å; T131-L134 PolarHBondContact O-N 3.36Å
132	E	95.1	Very high	92.9	Very high	0 Å²	0	88 Å²	88	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-59.4	-34.2	-176.8	-170	-83.5	154.7	0	0	113	S128 L129 L130 L134 V135 R152 L153 S195 L196 T197	S128-E132 VanDerWaalsContact O-CB 3.28Å; S128-E132 WeakPolarHBondContact O-CB 3.47Å; S128-E132 PolarHBondContact O-N 2.89Å; L129-E132 WeakPolarHBondContact O-CB 3.22Å; L129-E132 PolarHBondContact O-N 2.98Å; L130-E132 VanDerWaalsContact C-N 3.3Å; L130-E132 PolarHBondContact O-N 3.21Å; E132-L134 PolarHBondContact O-N 2.89Å; E132-V135 WeakPolarHBondContact O-CB 3.38Å; E132-V135 PolarHBondContact O-N 3.43Å; E132-R152 HydrophobicContact CG-CB 4.14Å; E132-R152 WeakPolarHBondContact CG-O 3.36Å; E132-R152 IonicContact OE1-CZ 3.32Å; E132-R152 IonicContact OE1-NE 2.85Å; E132-R152 IonicContact OE1-NH1 3.6Å; E132-R152 PolarHBondContact OE1-NH1 3.45Å; E132-L153 HydrophobicContact CB-CD2 4.1Å; E132-L153 HydrophobicContact CG-CD2 3.81Å; E132-S195 WeakPolarHBondContact OE1-CA 3.14Å; E132-S195 PolarHBondContact OE2-OG 3.21Å; E132-L196 VanDerWaalsContact CD-N 3.32Å; E132-L196 WeakPolarHBondContact OE1-CB 3.45Å; E132-L196 WeakPolarHBondContact OE1-CG 3.37Å; E132-L196 PolarHBondContact OE1-N 2.96Å; E132-L196 PolarHBondContact OE2-N 2.84Å; E132-L196 VanDerWaalsContact OE2-N 3.16Å; E132-T197 PolarHBondContact OE2-N 3.06Å; E132-T197 VanDerWaalsContact OE2-N 3.12Å; E132-T197 PolarHBondContact OE2-OG1 2.8Å; E132-T197 VanDerWaalsContact OE2-OG1 3.13Å
133	I	92.4	Very high	93	Very high	84 Å²	84	85.5 Å²	85.5	43%	0.431	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.9	179	-62.4	169.6	0	0	0	111.4	T131 T197 L198	T131-I133 VanDerWaalsContact C-N 3.25Å; T131-I133 PolarHBondContact O-N 3.27Å; I133-T197 WeakPolarHBondContact CG1-OG1 3.16Å; I133-L198 HydrophobicContact CG2-CD1 4.47Å
134	L	94.1	Very high	93.2	Very high	148 Å²	148	81.3 Å²	81.3	78%	0.775	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.3	-179.5	-55.6	176.7	0	0	0	112.7	T131 E132 K136	T131-L134 WeakPolarHBondContact O-CB 3.49Å; T131-L134 PolarHBondContact O-N 3.36Å; E132-L134 PolarHBondContact O-N 2.89Å; L134-K136 PolarHBondContact O-N 2.9Å
135	V	95	Very high	93.4	Very high	33 Å²	33	80.3 Å²	80.3	20%	0.2	39%	0.389	C	S	.	.	S	Bend	trans	-76.5	120.7	-177.8	179.2	0	0	0	0	110.2	E132 R151 R152	E132-V135 WeakPolarHBondContact O-CB 3.38Å; E132-V135 PolarHBondContact O-N 3.43Å; V135-R151 HydrophobicContact CG1-CG 3.89Å; V135-R151 WeakPolarHBondContact CG1-O 3.2Å; V135-R152 HydrophobicContact CG1-CG 4.11Å; V135-R152 PolarHBondContact O-NH1 3.21Å; V135-R152 PolarHBondContact O-NH2 2.88Å
136	K	93.8	Very high	93.7	Very high	185 Å²	185	80.2 Å²	80.2	80%	0.804	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-61.5	143.2	177.5	-66	-176.5	-178.8	178.6	0	111.3	L134 R151	L134-K136 PolarHBondContact O-N 2.9Å; K136-R151 PolarHBondContact O-NH1 2.92Å
137	K	93.5	Very high	93.9	Very high	104 Å²	104	80 Å²	80	45%	0.452	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-56.3	142	172.4	164.2	173.5	162.2	163.2	0	112	E190 Q191	K137-E190 WeakPolarHBondContact CA-OE1 3.45Å; K137-E190 HydrophobicContact CB-CG 4.19Å; K137-E190 HydrophobicContact CG-CG 4.08Å; K137-Q191 VanDerWaalsContact NZ-CD 3.32Å
138	G	90.8	Very high	94.1	Very high	17 Å²	17	74.4 Å²	74.4	18%	0.175	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-61.5	147.1	172.6	0	0	0	0	0	112.5	E190	G138-E190 PolarHBondContact N-OE1 2.95Å; G138-E190 VanDerWaalsContact N-OE1 3.1Å
139	R	88.5	Confident	94.4	Very high	244 Å²	244	74.2 Å²	74.2	92%	0.921	37%	0.365	S	S	*	.	S	Bend	trans	-89.1	-27.4	-179.8	-66.7	-177	177.8	177.7	-1.9	113.2
140	E	91.3	Very high	94.7	Very high	142 Å²	142	72.7 Å²	72.7	66%	0.664	36%	0.359	S	S	*	.	S	Bend	trans	-75.1	155.4	-178.5	-54.8	-51.8	135.6	0	0	112	D142	E140-D142 WeakPolarHBondContact CB-O 3.1Å; E140-D142 PolarHBondContact O-N 3.27Å
141	E	91.4	Very high	95	Very high	150 Å²	150	71.3 Å²	71.3	70%	0.701	35%	0.347	S	S	*	.	S	Bend	trans	-69.9	-22.1	174.8	-66.7	-161.9	172.5	0	0	113.6	R180 Y187	E141-R180 PolarHBondContact O-NH1 2.88Å; E141-R180 IonicContact OE2-NH1 2.62Å; E141-Y187 PolarHBondContact O-OH 2.89Å
142	D	96.4	Very high	95.2	Very high	62 Å²	62	68.1 Å²	68.1	33%	0.332	33%	0.327	S	S	.	.			trans	-155.7	156.3	176.6	-161	10.1	0	0	0	110.2	E140 S178 R180	E140-D142 WeakPolarHBondContact CB-O 3.1Å; E140-D142 PolarHBondContact O-N 3.27Å; D142-S178 PolarHBondContact OD1-OG 3.39Å; D142-S178 WeakPolarHBondContact OD2-CB 3.26Å; D142-S178 PolarHBondContact OD2-OG 3.5Å; D142-R180 VanDerWaalsContact OD1-CB 3.22Å; D142-R180 WeakPolarHBondContact OD1-CB 3.47Å; D142-R180 PolarHBondContact OD1-N 3.39Å
143	E	97.4	Very high	95.2	Very high	40 Å²	40	69.6 Å²	69.6	19%	0.187	34%	0.335	C	S	.	.			trans	-149.6	166.5	172	65.2	174.3	159.8	0	0	110.7	S147 F148 R151 V179	E143-S147 WeakPolarHBondContact OE2-CB 3.38Å; E143-S147 PolarHBondContact OE2-OG 3.21Å; E143-F148 VanDerWaalsContact CD-CA 3.5Å; E143-F148 HydrophobicContact CG-CB 3.88Å; E143-F148 HydrophobicContact CG-CD2 4.22Å; E143-F148 WeakPolarHBondContact OE1-CA 3.29Å; E143-F148 VanDerWaalsContact OE1-CB 3.28Å; E143-F148 WeakPolarHBondContact OE1-CB 3.36Å; E143-F148 WeakPolarHBondContact OE1-CD2 3.4Å; E143-R151 IonicContact OE1-CZ 2.77Å; E143-R151 IonicContact OE1-NE 3.6Å; E143-R151 IonicContact OE1-NH2 2.73Å; E143-R151 PolarHBondContact OE1-NH2 2.7Å; E143-R151 IonicContact OE2-NE 3.5Å; E143-V179 HydrophobicContact CG-CG1 4.01Å; E143-V179 PolarHBondContact O-N 2.97Å
144	S	98.4	Very high	95.4	Very high	29 Å²	29	66.6 Å²	66.6	20%	0.203	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-66.8	149.9	175	72.3	0	0	0	0	111.3	H146 S147 F148 K175 L177	S144-H146 PolarHBondContact O-N 3.18Å; S144-S147 PolarHBondContact O-N 2.93Å; S144-S147 VanDerWaalsContact O-N 3.15Å; S144-S147 WeakPolarHBondContact OG-CB 3.32Å; S144-S147 PolarHBondContact OG-N 3.43Å; S144-S147 VanDerWaalsContact OG-N 3.15Å; S144-F148 WeakPolarHBondContact O-CB 3.36Å; S144-F148 PolarHBondContact O-N 3Å; S144-K175 WeakPolarHBondContact CB-O 3.34Å; S144-K175 PolarHBondContact OG-O 3.23Å; S144-L177 CarbonylContact C-O 3.58Å; S144-L177 VanDerWaalsContact CA-O 3.27Å; S144-L177 WeakPolarHBondContact CA-O 3.45Å
145	I	98.4	Very high	95.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-39.2	177.1	-66.4	160.9	0	0	0	110.7	V149 M162 C174 L177 V179 C182 F183	I145-V149 HydrophobicContact CG2-CG2 4.46Å; I145-V149 WeakPolarHBondContact O-CB 3.45Å; I145-V149 WeakPolarHBondContact O-CG2 3.43Å; I145-V149 PolarHBondContact O-N 3.42Å; I145-M162 HydrophobicContact CG2-CG 3.24Å; I145-M162 HydrophobicContact CG2-SD 3.95Å; I145-C174 HydrophobicContact CB-CB 4.46Å; I145-C174 HydrophobicContact CG2-CB 4.46Å; I145-C174 PolarHBondContact N-O 3.41Å; I145-L177 HydrophobicContact CD1-CB 3.38Å; I145-L177 HydrophobicContact CD1-CD1 4.27Å; I145-L177 HydrophobicContact CD1-CG 4.49Å; I145-L177 HydrophobicContact CG1-CB 4.3Å; I145-L177 WeakPolarHBondContact CG1-O 3.36Å; I145-L177 PolarHBondContact N-O 2.85Å; I145-V179 HydrophobicContact CG1-CB 4.05Å; I145-V179 HydrophobicContact CG1-CG2 4.5Å; I145-C182 HydrophobicContact CD1-CB 3.58Å; I145-F183 HydrophobicContact CD1-CD2 3.67Å; I145-F183 HydrophobicContact CD1-CE2 3.62Å; I145-F183 HydrophobicContact CG1-CD2 3.88Å; I145-F183 HydrophobicContact CG1-CE2 4.17Å; I145-F183 HydrophobicContact CG2-CD2 4.1Å; I145-F183 HydrophobicContact CG2-CE2 3.97Å
146	H	98.5	Very high	95.6	Very high	28 Å²	28	66.8 Å²	66.8	13%	0.13	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-47.8	176.2	-174	-84.2	0	0	0	112.6	S144 F148 S150 D159 C174 K175	S144-H146 PolarHBondContact O-N 3.18Å; H146-F148 PolarHBondContact O-N 3.04Å; H146-S150 PolarHBondContact CE1-OG 3.31Å; H146-S150 PolarHBondContact ND1-OG 3.34Å; H146-S150 WeakPolarHBondContact O-CB 3.31Å; H146-S150 PolarHBondContact O-N 3.48Å; H146-S150 PolarHBondContact O-OG 2.79Å; H146-D159 IonicContact CD2-OD1 3.12Å; H146-D159 IonicContact CE1-OD1 3.95Å; H146-D159 IonicContact NE2-OD1 3.58Å; H146-D159 PolarHBondContact NE2-OD1 3.06Å; H146-C174 HydrophobicContact CB-CB 4.39Å; H146-C174 WeakPolarHBondContact CB-O 3.23Å; H146-C174 PolarHBondContact N-O 2.98Å; H146-K175 HydrophobicContact CB-CB 4.38Å; H146-K175 HydrophobicContact CB-CG 3.77Å
147	S	98.1	Very high	95.7	Very high	52 Å²	52	59.1 Å²	59.1	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-49	176.8	177.2	0	0	0	0	110.9	E143 S144 V149 S150 R151	E143-S147 WeakPolarHBondContact OE2-CB 3.38Å; E143-S147 PolarHBondContact OE2-OG 3.21Å; S144-S147 PolarHBondContact O-N 2.93Å; S144-S147 VanDerWaalsContact O-N 3.15Å; S144-S147 WeakPolarHBondContact OG-CB 3.32Å; S144-S147 PolarHBondContact OG-N 3.43Å; S144-S147 VanDerWaalsContact OG-N 3.15Å; S147-V149 PolarHBondContact O-N 3.11Å; S147-S150 PolarHBondContact O-N 3.44Å; S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 2.94Å
148	F	98	Very high	95.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-52.8	-179.9	-176	-86.9	0	0	0	112.2	E143 S144 H146 R151 R152 V179 L186 E190 L196	E143-F148 VanDerWaalsContact CD-CA 3.5Å; E143-F148 HydrophobicContact CG-CB 3.88Å; E143-F148 HydrophobicContact CG-CD2 4.22Å; E143-F148 WeakPolarHBondContact OE1-CA 3.29Å; E143-F148 VanDerWaalsContact OE1-CB 3.28Å; E143-F148 WeakPolarHBondContact OE1-CB 3.36Å; E143-F148 WeakPolarHBondContact OE1-CD2 3.4Å; S144-F148 WeakPolarHBondContact O-CB 3.36Å; S144-F148 PolarHBondContact O-N 3Å; H146-F148 PolarHBondContact O-N 3.04Å; F148-R151 PolarHBondContact O-N 3Å; F148-R152 WeakPolarHBondContact O-CB 3.27Å; F148-R152 WeakPolarHBondContact O-CG 3.43Å; F148-R152 PolarHBondContact O-N 2.97Å; F148-V179 HydrophobicContact CB-CB 4.18Å; F148-V179 HydrophobicContact CB-CG1 4.19Å; F148-V179 HydrophobicContact CB-CG2 4.17Å; F148-V179 HydrophobicContact CD1-CG2 3.87Å; F148-V179 HydrophobicContact CD2-CB 4.28Å; F148-V179 HydrophobicContact CD2-CG1 3.7Å; F148-V179 HydrophobicContact CD2-CG2 3.95Å; F148-V179 HydrophobicContact CE1-CG2 4.19Å; F148-V179 HydrophobicContact CE2-CG1 4.31Å; F148-V179 HydrophobicContact CE2-CG2 4.25Å; F148-V179 HydrophobicContact CG-CB 4.2Å; F148-V179 HydrophobicContact CG-CG1 4.09Å; F148-V179 HydrophobicContact CG-CG2 3.75Å; F148-V179 HydrophobicContact CZ-CG2 4.38Å; F148-L186 HydrophobicContact CE1-CB 4.05Å; F148-L186 HydrophobicContact CZ-CB 4.24Å; F148-E190 HydrophobicContact CE2-CB 4.21Å; F148-E190 WeakPolarHBondContact CE2-OE2 3.21Å; F148-E190 HydrophobicContact CZ-CB 4.18Å; F148-L196 HydrophobicContact CE1-CD1 3.91Å; F148-L196 HydrophobicContact CE1-CD2 3.98Å; F148-L196 HydrophobicContact CE1-CG 4.39Å; F148-L196 HydrophobicContact CZ-CD1 4.47Å; F148-L196 HydrophobicContact CZ-CD2 3.82Å; F148-L196 HydrophobicContact CZ-CG 4.47Å
149	V	97.8	Very high	96.2	Very high	2 Å²	2	56 Å²	56	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-36.9	-177.7	175.7	0	0	0	0	111.2	I145 S147 R151 R152 L153 G154 L157 A158 M162	I145-V149 HydrophobicContact CG2-CG2 4.46Å; I145-V149 WeakPolarHBondContact O-CB 3.45Å; I145-V149 WeakPolarHBondContact O-CG2 3.43Å; I145-V149 PolarHBondContact O-N 3.42Å; S147-V149 PolarHBondContact O-N 3.11Å; V149-R151 VanDerWaalsContact C-N 3.33Å; V149-R151 PolarHBondContact O-N 3.3Å; V149-R152 PolarHBondContact O-N 2.95Å; V149-L153 HydrophobicContact CG1-CB 4.1Å; V149-L153 HydrophobicContact CG1-CD1 4.26Å; V149-L153 CarbonylContact O-C 3.18Å; V149-L153 WeakPolarHBondContact O-CA 3.26Å; V149-L153 PolarHBondContact O-N 2.83Å; V149-G154 PolarHBondContact O-N 2.95Å; V149-G154 VanDerWaalsContact O-N 3.13Å; V149-L157 HydrophobicContact CG1-CB 4.27Å; V149-A158 HydrophobicContact CB-CB 4.08Å; V149-A158 HydrophobicContact CG1-CB 3.93Å; V149-M162 HydrophobicContact CB-CB 4.41Å; V149-M162 HydrophobicContact CB-CG 4.46Å; V149-M162 HydrophobicContact CG1-CB 4.18Å; V149-M162 HydrophobicContact CG2-CB 4.25Å; V149-M162 HydrophobicContact CG2-CG 3.84Å
150	S	97.4	Very high	96.5	Very high	32 Å²	32	46.2 Å²	46.2	22%	0.224	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-44.8	176.5	-67	0	0	0	0	111.4	H146 S147 G154 A158	H146-S150 PolarHBondContact CE1-OG 3.31Å; H146-S150 PolarHBondContact ND1-OG 3.34Å; H146-S150 WeakPolarHBondContact O-CB 3.31Å; H146-S150 PolarHBondContact O-N 3.48Å; H146-S150 PolarHBondContact O-OG 2.79Å; S147-S150 PolarHBondContact O-N 3.44Å; S150-G154 CarbonylContact O-C 3.59Å; S150-G154 WeakPolarHBondContact O-CA 3.45Å; S150-G154 PolarHBondContact O-N 3.17Å; S150-G154 VanDerWaalsContact O-N 3.13Å; S150-A158 WeakPolarHBondContact OG-CB 3.27Å
151	R	96.6	Very high	96.7	Very high	75 Å²	75	40.2 Å²	40.2	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-65.4	-44.1	178.2	178.3	174	58.4	80	0.2	112.2	V135 K136 E143 S147 F148 V149 E190	V135-R151 HydrophobicContact CG1-CG 3.89Å; V135-R151 WeakPolarHBondContact CG1-O 3.2Å; K136-R151 PolarHBondContact O-NH1 2.92Å; E143-R151 IonicContact OE1-CZ 2.77Å; E143-R151 IonicContact OE1-NE 3.6Å; E143-R151 IonicContact OE1-NH2 2.73Å; E143-R151 PolarHBondContact OE1-NH2 2.7Å; E143-R151 IonicContact OE2-NE 3.5Å; S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 2.94Å; F148-R151 PolarHBondContact O-N 3Å; V149-R151 VanDerWaalsContact C-N 3.33Å; V149-R151 PolarHBondContact O-N 3.3Å; R151-E190 IonicContact CZ-OE1 3.6Å; R151-E190 IonicContact NH1-OE1 2.77Å; R151-E190 PolarHBondContact NH1-OE1 2.87Å; R151-E190 IonicContact NH2-OE1 3.76Å; R151-E190 PolarHBondContact NH2-OE1 2.94Å; R151-E190 IonicContact NH2-OE2 3.47Å; R151-E190 PolarHBondContact NH2-OE2 3.39Å
152	R	96	Very high	96.9	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.011	18%	0.184	C	C	.	.	H	α-helix	trans	-87.2	-41.2	-172.1	-70.1	-159.9	152.4	-74	-10.6	115	E132 V135 F148 V149 E190 G194 L196	E132-R152 HydrophobicContact CG-CB 4.14Å; E132-R152 WeakPolarHBondContact CG-O 3.36Å; E132-R152 IonicContact OE1-CZ 3.32Å; E132-R152 IonicContact OE1-NE 2.85Å; E132-R152 IonicContact OE1-NH1 3.6Å; E132-R152 PolarHBondContact OE1-NH1 3.45Å; V135-R152 HydrophobicContact CG1-CG 4.11Å; V135-R152 PolarHBondContact O-NH1 3.21Å; V135-R152 PolarHBondContact O-NH2 2.88Å; F148-R152 WeakPolarHBondContact O-CB 3.27Å; F148-R152 WeakPolarHBondContact O-CG 3.43Å; F148-R152 PolarHBondContact O-N 2.97Å; V149-R152 PolarHBondContact O-N 2.95Å; R152-E190 IonicContact CZ-OE1 3.61Å; R152-E190 VanDerWaalsContact NE-CD 3.27Å; R152-E190 IonicContact NE-OE1 3.52Å; R152-E190 PolarHBondContact NE-OE1 3.33Å; R152-E190 VanDerWaalsContact NH2-CG 3.32Å; R152-E190 IonicContact NH2-OE1 2.68Å; R152-E190 PolarHBondContact NH2-OE1 2.98Å; R152-G194 PolarHBondContact NH1-O 3.16Å; R152-G194 PolarHBondContact NH2-O 3.15Å; R152-L196 HydrophobicContact CB-CD1 4.34Å
153	L	95.9	Very high	97	Very high	32 Å²	32	33.5 Å²	33.5	17%	0.168	18%	0.178	C	C	.	.	H	α-helix	trans	-120	-6.7	-169.5	-64.5	173.8	0	0	0	112.4	S128 L129 E132 V149 L157 L196	S128-L153 WeakPolarHBondContact CB-O 3.34Å; S128-L153 PolarHBondContact OG-O 3.49Å; L129-L153 HydrophobicContact CD2-CD2 4.27Å; E132-L153 HydrophobicContact CB-CD2 4.1Å; E132-L153 HydrophobicContact CG-CD2 3.81Å; V149-L153 HydrophobicContact CG1-CB 4.1Å; V149-L153 HydrophobicContact CG1-CD1 4.26Å; V149-L153 CarbonylContact O-C 3.18Å; V149-L153 WeakPolarHBondContact O-CA 3.26Å; V149-L153 PolarHBondContact O-N 2.83Å; L153-L157 HydrophobicContact CB-CB 4.3Å; L153-L157 HydrophobicContact CB-CD1 3.78Å; L153-L196 HydrophobicContact CD1-CD1 4.08Å; L153-L196 HydrophobicContact CG-CD1 4.33Å
154	G	96.3	Very high	96.9	Very high	21 Å²	21	33.9 Å²	33.9	22%	0.216	19%	0.185	C	C	.	.			trans	97.6	153.6	177.6	0	0	0	0	0	113.2	V149 S150 E156 L157 A158	V149-G154 PolarHBondContact O-N 2.95Å; V149-G154 VanDerWaalsContact O-N 3.13Å; S150-G154 CarbonylContact O-C 3.59Å; S150-G154 WeakPolarHBondContact O-CA 3.45Å; S150-G154 PolarHBondContact O-N 3.17Å; S150-G154 VanDerWaalsContact O-N 3.13Å; G154-E156 VanDerWaalsContact C-N 3.32Å; G154-E156 PolarHBondContact O-N 2.93Å; G154-L157 PolarHBondContact O-N 3.3Å; G154-A158 PolarHBondContact O-N 2.88Å
155	K	96.6	Very high	96.9	Very high	130 Å²	130	35.2 Å²	35.2	57%	0.565	19%	0.192	S	C	*	.	H	α-helix	trans	-58.1	-39.5	-173.5	-170.6	179.4	-174.7	-62.9	0	113.5	L157 A158 D159	K155-L157 PolarHBondContact O-N 3.26Å; K155-A158 WeakPolarHBondContact O-CB 3.43Å; K155-A158 PolarHBondContact O-N 3.48Å; K155-A158 VanDerWaalsContact O-N 3.15Å; K155-D159 WeakPolarHBondContact CG-OD2 3.49Å; K155-D159 IonicContact NZ-OD1 2.65Å; K155-D159 IonicContact NZ-OD2 3.52Å; K155-D159 PolarHBondContact NZ-OD2 3.4Å; K155-D159 WeakPolarHBondContact O-CB 3.38Å; K155-D159 VanDerWaalsContact O-CG 3.29Å; K155-D159 PolarHBondContact O-N 3.2Å
156	E	95.8	Very high	96.8	Very high	54 Å²	54	35.2 Å²	35.2	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-62.4	-41.1	-179.8	-173	-177	-114.1	0	0	112.4	F121 S122 G154 A158 D159 L160	F121-E156 HydrophobicContact CD1-CG 4.05Å; S122-E156 WeakPolarHBondContact CB-OE1 3.28Å; S122-E156 PolarHBondContact N-OE1 3.4Å; S122-E156 PolarHBondContact N-OE2 3.28Å; S122-E156 VanDerWaalsContact OG-CD 3.29Å; S122-E156 PolarHBondContact OG-OE1 3.12Å; S122-E156 PolarHBondContact OG-OE2 2.92Å; G154-E156 VanDerWaalsContact C-N 3.32Å; G154-E156 PolarHBondContact O-N 2.93Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-D159 PolarHBondContact O-N 3.5Å; E156-L160 HydrophobicContact CG-CD1 3.75Å; E156-L160 HydrophobicContact CG-CG 4.43Å; E156-L160 WeakPolarHBondContact O-CB 3.18Å; E156-L160 PolarHBondContact O-N 3.33Å
157	L	95.9	Very high	96.8	Very high	24 Å²	24	41.6 Å²	41.6	13%	0.126	22%	0.215	C	C	.	.	I	π-helix	trans	-68	-34.9	175.2	-88.5	172.8	0	0	0	111.8	F121 L125 V149 L153 G154 K155 A161 M162	F121-L157 HydrophobicContact CD1-CD2 4.45Å; F121-L157 HydrophobicContact CE1-CD2 3.78Å; F121-L157 HydrophobicContact CE1-CG 4.46Å; F121-L157 HydrophobicContact CZ-CD2 4.2Å; L125-L157 HydrophobicContact CD2-CD1 4.26Å; L125-L157 HydrophobicContact CD2-CD2 3.87Å; L125-L157 HydrophobicContact CD2-CG 4.21Å; V149-L157 HydrophobicContact CG1-CB 4.27Å; L153-L157 HydrophobicContact CB-CB 4.3Å; L153-L157 HydrophobicContact CB-CD1 3.78Å; G154-L157 PolarHBondContact O-N 3.3Å; K155-L157 PolarHBondContact O-N 3.26Å; L157-A161 HydrophobicContact CD2-CB 3.87Å; L157-A161 WeakPolarHBondContact O-CB 3.27Å; L157-A161 PolarHBondContact O-N 2.78Å; L157-A161 VanDerWaalsContact O-N 3.14Å; L157-M162 PolarHBondContact O-N 3.49Å
158	A	97.4	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-66.3	-49.6	174.6	0	0	0	0	0	111.6	V149 S150 G154 K155 E156 D163	V149-A158 HydrophobicContact CB-CB 4.08Å; V149-A158 HydrophobicContact CG1-CB 3.93Å; S150-A158 WeakPolarHBondContact OG-CB 3.27Å; G154-A158 PolarHBondContact O-N 2.88Å; K155-A158 WeakPolarHBondContact O-CB 3.43Å; K155-A158 PolarHBondContact O-N 3.48Å; K155-A158 VanDerWaalsContact O-N 3.15Å; E156-A158 VanDerWaalsContact C-N 3.33Å; A158-D163 PolarHBondContact O-N 3.22Å
159	D	97.1	Very high	96.6	Very high	56 Å²	56	46.9 Å²	46.9	30%	0.299	26%	0.258	S	S	.	.	I	π-helix	trans	-70.2	-38.4	-175	-69.6	-18.6	0	0	0	113.4	H146 K155 E156 D163	H146-D159 IonicContact CD2-OD1 3.12Å; H146-D159 IonicContact CE1-OD1 3.95Å; H146-D159 IonicContact NE2-OD1 3.58Å; H146-D159 PolarHBondContact NE2-OD1 3.06Å; K155-D159 WeakPolarHBondContact CG-OD2 3.49Å; K155-D159 IonicContact NZ-OD1 2.65Å; K155-D159 IonicContact NZ-OD2 3.52Å; K155-D159 PolarHBondContact NZ-OD2 3.4Å; K155-D159 WeakPolarHBondContact O-CB 3.38Å; K155-D159 VanDerWaalsContact O-CG 3.29Å; K155-D159 PolarHBondContact O-N 3.2Å; E156-D159 PolarHBondContact O-N 3.5Å; D159-D163 VanDerWaalsContact O-CB 3.27Å; D159-D163 WeakPolarHBondContact O-CB 3.11Å
160	L	96	Very high	96.6	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	28%	0.275	C	S	.	.	I	π-helix	trans	-97.7	-54.6	-174.1	-59.9	178.7	0	0	0	111.8	L98 V100 P120 F121 E156 S164	L98-L160 HydrophobicContact CD1-CB 4.41Å; V100-L160 HydrophobicContact CG1-CD2 4.37Å; V100-L160 HydrophobicContact CG2-CD2 4.3Å; P120-L160 HydrophobicContact CB-CD1 4.27Å; P120-L160 HydrophobicContact CG-CD1 4.01Å; F121-L160 HydrophobicContact CD1-CD1 4.4Å; F121-L160 HydrophobicContact CE1-CB 4.18Å; F121-L160 HydrophobicContact CE1-CD1 4.4Å; E156-L160 HydrophobicContact CG-CD1 3.75Å; E156-L160 HydrophobicContact CG-CG 4.43Å; E156-L160 WeakPolarHBondContact O-CB 3.18Å; E156-L160 PolarHBondContact O-N 3.33Å; L160-S164 VanDerWaalsContact O-CB 3.26Å; L160-S164 WeakPolarHBondContact O-CB 3.11Å; L160-S164 PolarHBondContact O-OG 2.83Å
161	A	94.9	Very high	96.6	Very high	17 Å²	17	53.7 Å²	53.7	14%	0.14	30%	0.302	C	S	.	.	I	π-helix	trans	-80.8	-54.2	-173.5	0	0	0	0	0	111.2	F121 L157 S164 V165	F121-A161 HydrophobicContact CE1-CB 4.39Å; F121-A161 HydrophobicContact CZ-CB 4.14Å; L157-A161 HydrophobicContact CD2-CB 3.87Å; L157-A161 WeakPolarHBondContact O-CB 3.27Å; L157-A161 PolarHBondContact O-N 2.78Å; L157-A161 VanDerWaalsContact O-N 3.14Å; A161-S164 PolarHBondContact O-N 2.77Å; A161-V165 VanDerWaalsContact O-CG2 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.25Å; A161-V165 PolarHBondContact O-N 2.76Å
162	M	96.6	Very high	96.6	Very high	30 Å²	30	51 Å²	51	15%	0.148	30%	0.298	C	S	.	.	I	π-helix	trans	-75.2	-35.6	-170.9	-162.1	56.1	32.2	0	0	113.7	I145 V149 L157 S164 V165 C166 F183	I145-M162 HydrophobicContact CG2-CG 3.24Å; I145-M162 HydrophobicContact CG2-SD 3.95Å; V149-M162 HydrophobicContact CB-CB 4.41Å; V149-M162 HydrophobicContact CB-CG 4.46Å; V149-M162 HydrophobicContact CG1-CB 4.18Å; V149-M162 HydrophobicContact CG2-CB 4.25Å; V149-M162 HydrophobicContact CG2-CG 3.84Å; L157-M162 PolarHBondContact O-N 3.49Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-S164 PolarHBondContact O-N 2.77Å; M162-V165 HydrophobicContact CE-CB 4.4Å; M162-V165 HydrophobicContact CE-CG2 4.41Å; M162-V165 PolarHBondContact O-N 3.2Å; M162-V165 HydrophobicContact SD-CB 4.15Å; M162-V165 HydrophobicContact SD-CG1 4.29Å; M162-C166 WeakPolarHBondContact O-CB 3.45Å; M162-C166 PolarHBondContact O-N 3.2Å; M162-C166 PolarHBondContact O-SG 2.71Å; M162-F183 HydrophobicContact SD-CE2 3.85Å; M162-F183 HydrophobicContact SD-CZ 3.96Å
163	D	97.3	Very high	96.7	Very high	41 Å²	41	54 Å²	54	22%	0.219	31%	0.314	C	S	.	.	H	α-helix	trans	-55.5	-50	168.7	-173.5	70.4	0	0	0	111.2	A158 D159 V165 C166 R167 C174	A158-D163 PolarHBondContact O-N 3.22Å; D159-D163 VanDerWaalsContact O-CB 3.27Å; D159-D163 WeakPolarHBondContact O-CB 3.11Å; D163-V165 PolarHBondContact O-N 3.34Å; D163-C166 PolarHBondContact O-N 2.9Å; D163-C166 VanDerWaalsContact O-N 3.16Å; D163-R167 WeakPolarHBondContact O-CG 3.24Å; D163-R167 PolarHBondContact O-N 3.15Å; D163-R167 WeakPolarHBondContact OD2-CD 3.49Å; D163-C174 PolarHBondContact OD1-SG 3.39Å
164	S	97.1	Very high	96.8	Very high	47 Å²	47	52.5 Å²	52.5	33%	0.329	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-40.3	178.5	-62	0	0	0	0	112.8	L98 L160 A161 M162 G168	L98-S164 VanDerWaalsContact CD2-CB 3.5Å; L98-S164 WeakPolarHBondContact CD2-OG 3.46Å; L160-S164 VanDerWaalsContact O-CB 3.26Å; L160-S164 WeakPolarHBondContact O-CB 3.11Å; L160-S164 PolarHBondContact O-OG 2.83Å; A161-S164 PolarHBondContact O-N 2.77Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-S164 PolarHBondContact O-N 2.77Å; S164-G168 PolarHBondContact O-N 3.27Å
165	V	96.7	Very high	96.9	Very high	57 Å²	57	57.5 Å²	57.5	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-44.6	174.8	173.3	0	0	0	0	110.7	A161 M162 D163 R167 G168 V169 F183	A161-V165 VanDerWaalsContact O-CG2 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.25Å; A161-V165 PolarHBondContact O-N 2.76Å; M162-V165 HydrophobicContact CE-CB 4.4Å; M162-V165 HydrophobicContact CE-CG2 4.41Å; M162-V165 PolarHBondContact O-N 3.2Å; M162-V165 HydrophobicContact SD-CB 4.15Å; M162-V165 HydrophobicContact SD-CG1 4.29Å; D163-V165 PolarHBondContact O-N 3.34Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 2.93Å; V165-G168 PolarHBondContact O-N 3.34Å; V165-V169 HydrophobicContact CG1-CG2 4.13Å; V165-V169 WeakPolarHBondContact O-CB 3.38Å; V165-V169 WeakPolarHBondContact O-CG2 3.12Å; V165-V169 PolarHBondContact O-N 3.4Å; V165-F183 HydrophobicContact CG1-CE1 4.19Å; V165-F183 HydrophobicContact CG1-CZ 3.79Å
166	C	97.8	Very high	96.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-42.8	179	-70.1	0	0	0	0	111.9	M162 D163 V169 F170 A171 C174 L177	M162-C166 WeakPolarHBondContact O-CB 3.45Å; M162-C166 PolarHBondContact O-N 3.2Å; M162-C166 PolarHBondContact O-SG 2.71Å; D163-C166 PolarHBondContact O-N 2.9Å; D163-C166 VanDerWaalsContact O-N 3.16Å; C166-V169 PolarHBondContact O-N 2.72Å; C166-F170 WeakPolarHBondContact O-CA 3.33Å; C166-F170 WeakPolarHBondContact O-CB 3.22Å; C166-F170 PolarHBondContact O-N 2.86Å; C166-A171 PolarHBondContact O-N 3.35Å; C166-C174 HydrophobicContact CB-CB 3.86Å; C166-C174 VanDerWaalsContact SG-CB 3.54Å; C166-L177 HydrophobicContact CB-CD1 3.96Å
167	R	97.5	Very high	97.1	Very high	163 Å²	163	59 Å²	59	62%	0.615	33%	0.329	S	S	*	.	H	α-helix	trans	-65.3	-38.7	174.8	-68.3	166	64	89.1	0.8	111.9	D163 V165 A171	D163-R167 WeakPolarHBondContact O-CG 3.24Å; D163-R167 PolarHBondContact O-N 3.15Å; D163-R167 WeakPolarHBondContact OD2-CD 3.49Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 2.93Å; R167-A171 VanDerWaalsContact O-CA 3.23Å; R167-A171 WeakPolarHBondContact O-CA 3.46Å; R167-A171 PolarHBondContact O-N 3.29Å; R167-A171 VanDerWaalsContact O-N 3.13Å
168	G	95.8	Very high	97.2	Very high	68 Å²	68	59 Å²	59	70%	0.701	33%	0.331	S	S	*	.	H	α-helix	trans	-72.6	-29.8	178.8	0	0	0	0	0	114.8	S164 V165	S164-G168 PolarHBondContact O-N 3.27Å; V165-G168 PolarHBondContact O-N 3.34Å
169	V	96.1	Very high	97.2	Very high	94 Å²	94	59.1 Å²	59.1	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-98.4	-43	-176.8	179.1	0	0	0	0	112.3	V165 C166	V165-V169 HydrophobicContact CG1-CG2 4.13Å; V165-V169 WeakPolarHBondContact O-CB 3.38Å; V165-V169 WeakPolarHBondContact O-CG2 3.12Å; V165-V169 PolarHBondContact O-N 3.4Å; C166-V169 PolarHBondContact O-N 2.72Å
170	F	97.1	Very high	97.2	Very high	82 Å²	82	61.8 Å²	61.8	36%	0.36	34%	0.338	S	S	.	.	H	α-helix	trans	-115.3	-7.2	-171.8	-52.5	-68.3	0	0	0	113.6	C166 G172 L177 C182 F183	C166-F170 WeakPolarHBondContact O-CA 3.33Å; C166-F170 WeakPolarHBondContact O-CB 3.22Å; C166-F170 PolarHBondContact O-N 2.86Å; F170-G172 PolarHBondContact O-N 2.96Å; F170-G172 VanDerWaalsContact O-N 3.15Å; F170-L177 HydrophobicContact CB-CD1 3.97Å; F170-L177 HydrophobicContact CD2-CD1 3.92Å; F170-L177 HydrophobicContact CG-CD1 4.24Å; F170-C182 HydrophobicContact CD2-CB 4.41Å; F170-C182 HydrophobicContact CE1-CB 4.29Å; F170-C182 HydrophobicContact CE2-CB 3.64Å; F170-C182 HydrophobicContact CZ-CB 3.57Å; F170-F183 HydrophobicContact CE2-CE1 4.43Å; F170-F183 AromaticContact CE2-CE2 3.97Å; F170-F183 HydrophobicContact CE2-CE2 3.97Å; F170-F183 AromaticContact CE2-CZ 3.79Å; F170-F183 HydrophobicContact CE2-CZ 3.79Å
171	A	97.4	Very high	97.3	Very high	96 Å²	96	64.4 Å²	64.4	79%	0.793	36%	0.359	S	S	*	.	S	Bend	trans	51.3	31.2	-168.7	0	0	0	0	0	113	C166 R167	C166-A171 PolarHBondContact O-N 3.35Å; R167-A171 VanDerWaalsContact O-CA 3.23Å; R167-A171 WeakPolarHBondContact O-CA 3.46Å; R167-A171 PolarHBondContact O-N 3.29Å; R167-A171 VanDerWaalsContact O-N 3.13Å
172	G	97.1	Very high	97.4	Very high	19 Å²	19	64.9 Å²	64.9	20%	0.196	36%	0.361	C	S	.	.	S	Bend	trans	-124.4	161.4	-171.6	0	0	0	0	0	114	F170	F170-G172 PolarHBondContact O-N 2.96Å; F170-G172 VanDerWaalsContact O-N 3.15Å
173	D	97.9	Very high	97.4	Very high	65 Å²	65	65.3 Å²	65.3	35%	0.348	36%	0.362	S	S	.	.			trans	-76.1	117.8	178.2	179.3	-3.2	0	0	0	110.9	K175 K176 L177	D173-K175 PolarHBondContact O-N 2.84Å; D173-K175 VanDerWaalsContact O-N 3.08Å; D173-K175 VanDerWaalsContact OD1-CB 3.31Å; D173-K175 WeakPolarHBondContact OD1-CB 3.26Å; D173-K175 PolarHBondContact OD1-N 2.79Å; D173-K176 HydrophobicContact CB-CD 4.4Å; D173-K176 HydrophobicContact CB-CG 4.38Å; D173-K176 PolarHBondContact O-N 3.19Å; D173-L177 WeakPolarHBondContact O-CG 3.45Å; D173-L177 PolarHBondContact O-N 3.41Å; D173-L177 VanDerWaalsContact O-N 3.09Å
174	C	97.9	Very high	97.2	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.2	-179.4	66.1	0	0	0	0	113.6	I145 H146 D163 C166 K176	I145-C174 HydrophobicContact CB-CB 4.46Å; I145-C174 HydrophobicContact CG2-CB 4.46Å; I145-C174 PolarHBondContact N-O 3.41Å; H146-C174 HydrophobicContact CB-CB 4.39Å; H146-C174 WeakPolarHBondContact CB-O 3.23Å; H146-C174 PolarHBondContact N-O 2.98Å; D163-C174 PolarHBondContact OD1-SG 3.39Å; C166-C174 HydrophobicContact CB-CB 3.86Å; C166-C174 VanDerWaalsContact SG-CB 3.54Å; C174-K176 VanDerWaalsContact C-N 3.29Å
175	K	98.5	Very high	97	Very high	127 Å²	127	67.3 Å²	67.3	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.5	175.9	-61.4	176.4	-178.3	176.5	0	113.4	S144 H146 D173	S144-K175 WeakPolarHBondContact CB-O 3.34Å; S144-K175 PolarHBondContact OG-O 3.23Å; H146-K175 HydrophobicContact CB-CB 4.38Å; H146-K175 HydrophobicContact CB-CG 3.77Å; D173-K175 PolarHBondContact O-N 2.84Å; D173-K175 VanDerWaalsContact O-N 3.08Å; D173-K175 VanDerWaalsContact OD1-CB 3.31Å; D173-K175 WeakPolarHBondContact OD1-CB 3.26Å; D173-K175 PolarHBondContact OD1-N 2.79Å
176	K	98.2	Very high	96.8	Very high	175 Å²	175	66 Å²	66	76%	0.761	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-27.1	-179	-59.6	-177.2	-174.8	-179.6	0	113.1	D173 C174	D173-K176 HydrophobicContact CB-CD 4.4Å; D173-K176 HydrophobicContact CB-CG 4.38Å; D173-K176 PolarHBondContact O-N 3.19Å; C174-K176 VanDerWaalsContact C-N 3.29Å
177	L	98.4	Very high	96.7	Very high	41 Å²	41	67.8 Å²	67.8	22%	0.215	38%	0.376	C	S	.	.	S	Bend	trans	-72.6	134.9	-179.6	-68	172.5	0	0	0	111.2	S144 I145 C166 F170 D173	S144-L177 CarbonylContact C-O 3.58Å; S144-L177 VanDerWaalsContact CA-O 3.27Å; S144-L177 WeakPolarHBondContact CA-O 3.45Å; I145-L177 HydrophobicContact CD1-CB 3.38Å; I145-L177 HydrophobicContact CD1-CD1 4.27Å; I145-L177 HydrophobicContact CD1-CG 4.49Å; I145-L177 HydrophobicContact CG1-CB 4.3Å; I145-L177 WeakPolarHBondContact CG1-O 3.36Å; I145-L177 PolarHBondContact N-O 2.85Å; C166-L177 HydrophobicContact CB-CD1 3.96Å; F170-L177 HydrophobicContact CB-CD1 3.97Å; F170-L177 HydrophobicContact CD2-CD1 3.92Å; F170-L177 HydrophobicContact CG-CD1 4.24Å; D173-L177 WeakPolarHBondContact O-CG 3.45Å; D173-L177 PolarHBondContact O-N 3.41Å; D173-L177 VanDerWaalsContact O-N 3.09Å
178	S	98.5	Very high	96.5	Very high	24 Å²	24	65.2 Å²	65.2	17%	0.168	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-70.6	129.6	176.6	159	0	0	0	0	112	D142 R180 S181 C182	D142-S178 PolarHBondContact OD1-OG 3.39Å; D142-S178 WeakPolarHBondContact OD2-CB 3.26Å; D142-S178 PolarHBondContact OD2-OG 3.5Å; S178-R180 PolarHBondContact OG-N 3.35Å; S178-S181 PolarHBondContact OG-N 3.42Å; S178-S181 PolarHBondContact OG-OG 2.87Å; S178-C182 WeakPolarHBondContact O-CB 3.48Å; S178-C182 PolarHBondContact O-N 2.83Å; S178-C182 PolarHBondContact O-SG 3.14Å
179	V	97.9	Very high	96.4	Very high	1 Å²	1	62 Å²	62	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-69.1	-36.1	173.2	70.4	0	0	0	0	111.6	E143 I145 F148 S181 F183 Y187	E143-V179 HydrophobicContact CG-CG1 4.01Å; E143-V179 PolarHBondContact O-N 2.97Å; I145-V179 HydrophobicContact CG1-CB 4.05Å; I145-V179 HydrophobicContact CG1-CG2 4.5Å; F148-V179 HydrophobicContact CB-CB 4.18Å; F148-V179 HydrophobicContact CB-CG1 4.19Å; F148-V179 HydrophobicContact CB-CG2 4.17Å; F148-V179 HydrophobicContact CD1-CG2 3.87Å; F148-V179 HydrophobicContact CD2-CB 4.28Å; F148-V179 HydrophobicContact CD2-CG1 3.7Å; F148-V179 HydrophobicContact CD2-CG2 3.95Å; F148-V179 HydrophobicContact CE1-CG2 4.19Å; F148-V179 HydrophobicContact CE2-CG1 4.31Å; F148-V179 HydrophobicContact CE2-CG2 4.25Å; F148-V179 HydrophobicContact CG-CB 4.2Å; F148-V179 HydrophobicContact CG-CG1 4.09Å; F148-V179 HydrophobicContact CG-CG2 3.75Å; F148-V179 HydrophobicContact CZ-CG2 4.38Å; V179-S181 VanDerWaalsContact C-N 3.32Å; V179-S181 PolarHBondContact O-N 3.4Å; V179-F183 HydrophobicContact CG2-CB 4.3Å; V179-F183 CarbonylContact O-C 3.55Å; V179-F183 WeakPolarHBondContact O-CA 3.18Å; V179-F183 PolarHBondContact O-N 3.34Å; V179-Y187 HydrophobicContact CG1-CD2 4.21Å
180	R	97	Very high	96.3	Very high	113 Å²	113	57.7 Å²	57.7	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-41.3	179.4	178.2	175.8	173.1	176	-5	111.8	E141 D142 S178 Y187	E141-R180 PolarHBondContact O-NH1 2.88Å; E141-R180 IonicContact OE2-NH1 2.62Å; D142-R180 VanDerWaalsContact OD1-CB 3.22Å; D142-R180 WeakPolarHBondContact OD1-CB 3.47Å; D142-R180 PolarHBondContact OD1-N 3.39Å; S178-R180 PolarHBondContact OG-N 3.35Å; R180-Y187 HydrophobicContact CB-CD1 4.22Å; R180-Y187 HydrophobicContact CB-CD2 4.1Å; R180-Y187 HydrophobicContact CB-CE1 4.4Å; R180-Y187 HydrophobicContact CB-CE2 4.3Å; R180-Y187 HydrophobicContact CB-CG 4.07Å; R180-Y187 HydrophobicContact CG-CD1 3.91Å; R180-Y187 HydrophobicContact CG-CE1 3.85Å; R180-Y187 HydrophobicContact CG-CG 4.27Å
181	S	97.3	Very high	96.1	Very high	92 Å²	92	56.4 Å²	56.4	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-85.3	-42.9	-178.4	-65.3	0	0	0	0	113.1	S178 V179	S178-S181 PolarHBondContact OG-N 3.42Å; S178-S181 PolarHBondContact OG-OG 2.87Å; V179-S181 VanDerWaalsContact C-N 3.32Å; V179-S181 PolarHBondContact O-N 3.4Å
182	C	97.5	Very high	95.8	Very high	28 Å²	28	56.8 Å²	56.8	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-86	-33.7	-172	-60.3	0	0	0	0	113.2	I145 F170 S178 P184	I145-C182 HydrophobicContact CD1-CB 3.58Å; F170-C182 HydrophobicContact CD2-CB 4.41Å; F170-C182 HydrophobicContact CE1-CB 4.29Å; F170-C182 HydrophobicContact CE2-CB 3.64Å; F170-C182 HydrophobicContact CZ-CB 3.57Å; S178-C182 WeakPolarHBondContact O-CB 3.48Å; S178-C182 PolarHBondContact O-N 2.83Å; S178-C182 PolarHBondContact O-SG 3.14Å; C182-P184 VanDerWaalsContact C-CD 3.42Å
183	F	96.2	Very high	95.6	Very high	39 Å²	39	61.2 Å²	61.2	17%	0.171	30%	0.301	C	S	.	.			trans	-129.7	61.6	179.1	-63.5	-73	0	0	0	111.7	I145 M162 V165 F170 V179 S185 L186 Y187	I145-F183 HydrophobicContact CD1-CD2 3.67Å; I145-F183 HydrophobicContact CD1-CE2 3.62Å; I145-F183 HydrophobicContact CG1-CD2 3.88Å; I145-F183 HydrophobicContact CG1-CE2 4.17Å; I145-F183 HydrophobicContact CG2-CD2 4.1Å; I145-F183 HydrophobicContact CG2-CE2 3.97Å; M162-F183 HydrophobicContact SD-CE2 3.85Å; M162-F183 HydrophobicContact SD-CZ 3.96Å; V165-F183 HydrophobicContact CG1-CE1 4.19Å; V165-F183 HydrophobicContact CG1-CZ 3.79Å; F170-F183 HydrophobicContact CE2-CE1 4.43Å; F170-F183 AromaticContact CE2-CE2 3.97Å; F170-F183 HydrophobicContact CE2-CE2 3.97Å; F170-F183 AromaticContact CE2-CZ 3.79Å; F170-F183 HydrophobicContact CE2-CZ 3.79Å; V179-F183 HydrophobicContact CG2-CB 4.3Å; V179-F183 CarbonylContact O-C 3.55Å; V179-F183 WeakPolarHBondContact O-CA 3.18Å; V179-F183 PolarHBondContact O-N 3.34Å; F183-S185 PolarHBondContact O-N 2.96Å; F183-L186 HydrophobicContact CB-CB 4.14Å; F183-L186 HydrophobicContact CB-CD1 3.8Å; F183-L186 HydrophobicContact CB-CG 4.05Å; F183-L186 HydrophobicContact CD1-CD1 4.48Å; F183-L186 HydrophobicContact CG-CD1 4.1Å; F183-L186 WeakPolarHBondContact O-CB 3.45Å; F183-L186 PolarHBondContact O-N 2.84Å; F183-Y187 PolarHBondContact O-N 3.23Å; F183-Y187 VanDerWaalsContact O-N 3.14Å
184	P	93.6	Very high	95.3	Very high	56 Å²	56	59.6 Å²	59.6	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-28.2	-174.4	21.9	-33.4	0	0	0	113.4	C182 K188	C182-P184 VanDerWaalsContact C-CD 3.42Å; P184-K188 VanDerWaalsContact O-CB 3.27Å; P184-K188 WeakPolarHBondContact O-CB 3.34Å; P184-K188 WeakPolarHBondContact O-CG 3.49Å; P184-K188 PolarHBondContact O-N 2.74Å
185	S	91.8	Very high	95.1	Very high	74 Å²	74	59.6 Å²	59.6	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-39.8	174	-59.9	0	0	0	0	112.8	F183 A189	F183-S185 PolarHBondContact O-N 2.96Å; S185-A189 VanDerWaalsContact O-CB 3.3Å; S185-A189 WeakPolarHBondContact O-CB 3.42Å; S185-A189 PolarHBondContact O-N 3.48Å
186	L	94.4	Very high	94.9	Very high	29 Å²	29	53.9 Å²	53.9	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-47.1	175.7	-66	-179.7	0	0	0	110.7	F148 F183 K188 A189 E190 L196 F200	F148-L186 HydrophobicContact CE1-CB 4.05Å; F148-L186 HydrophobicContact CZ-CB 4.24Å; F183-L186 HydrophobicContact CB-CB 4.14Å; F183-L186 HydrophobicContact CB-CD1 3.8Å; F183-L186 HydrophobicContact CB-CG 4.05Å; F183-L186 HydrophobicContact CD1-CD1 4.48Å; F183-L186 HydrophobicContact CG-CD1 4.1Å; F183-L186 WeakPolarHBondContact O-CB 3.45Å; F183-L186 PolarHBondContact O-N 2.84Å; L186-K188 PolarHBondContact O-N 3.2Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.5Å; L186-E190 PolarHBondContact O-N 3.26Å; L186-E190 VanDerWaalsContact O-N 3.13Å; L186-L196 HydrophobicContact CB-CD2 4.02Å; L186-L196 HydrophobicContact CD2-CD1 4.34Å; L186-L196 HydrophobicContact CD2-CD2 3.89Å; L186-L196 WeakPolarHBondContact O-CD2 3.14Å; L186-F200 HydrophobicContact CD2-CE2 3.73Å; L186-F200 HydrophobicContact CD2-CZ 3.44Å; L186-F200 VanDerWaalsContact CD2-CZ 3.44Å
187	Y	94.9	Very high	94.5	Very high	37 Å²	37	46.7 Å²	46.7	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-49.8	176.6	179.5	-103.1	0	0	0	111.2	E141 V179 R180 F183 A189 E190 Q191	E141-Y187 PolarHBondContact O-OH 2.89Å; V179-Y187 HydrophobicContact CG1-CD2 4.21Å; R180-Y187 HydrophobicContact CB-CD1 4.22Å; R180-Y187 HydrophobicContact CB-CD2 4.1Å; R180-Y187 HydrophobicContact CB-CE1 4.4Å; R180-Y187 HydrophobicContact CB-CE2 4.3Å; R180-Y187 HydrophobicContact CB-CG 4.07Å; R180-Y187 HydrophobicContact CG-CD1 3.91Å; R180-Y187 HydrophobicContact CG-CE1 3.85Å; R180-Y187 HydrophobicContact CG-CG 4.27Å; F183-Y187 PolarHBondContact O-N 3.23Å; F183-Y187 VanDerWaalsContact O-N 3.14Å; Y187-A189 VanDerWaalsContact C-N 3.34Å; Y187-A189 PolarHBondContact O-N 2.85Å; Y187-E190 PolarHBondContact O-N 2.98Å; Y187-Q191 HydrophobicContact CD1-CG 4.04Å; Y187-Q191 HydrophobicContact CD2-CG 4.23Å; Y187-Q191 HydrophobicContact CE1-CG 3.66Å; Y187-Q191 HydrophobicContact CE2-CG 3.84Å; Y187-Q191 HydrophobicContact CG-CG 4.32Å; Y187-Q191 VanDerWaalsContact O-CG 3.3Å; Y187-Q191 WeakPolarHBondContact O-CG 3.37Å; Y187-Q191 PolarHBondContact O-N 3.15Å; Y187-Q191 PolarHBondContact OH-NE2 2.6Å
188	K	92.6	Very high	94.2	Very high	109 Å²	109	47.5 Å²	47.5	47%	0.474	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-38.2	178.2	-73.9	174.7	-176.8	-175.8	0	113	P184 L186 Q191 Q192	P184-K188 VanDerWaalsContact O-CB 3.27Å; P184-K188 WeakPolarHBondContact O-CB 3.34Å; P184-K188 WeakPolarHBondContact O-CG 3.49Å; P184-K188 PolarHBondContact O-N 2.74Å; L186-K188 PolarHBondContact O-N 3.2Å; K188-Q191 PolarHBondContact O-N 3.45Å; K188-Q192 VanDerWaalsContact O-CB 3.31Å; K188-Q192 WeakPolarHBondContact O-CB 3.36Å; K188-Q192 VanDerWaalsContact O-CG 3.32Å; K188-Q192 WeakPolarHBondContact O-CG 3.37Å; K188-Q192 PolarHBondContact O-N 2.79Å
189	A	93.9	Very high	93.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-48.4	176.1	0	0	0	0	0	111.5	S185 L186 Y187 R193 L196	S185-A189 VanDerWaalsContact O-CB 3.3Å; S185-A189 WeakPolarHBondContact O-CB 3.42Å; S185-A189 PolarHBondContact O-N 3.48Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.5Å; Y187-A189 VanDerWaalsContact C-N 3.34Å; Y187-A189 PolarHBondContact O-N 2.85Å; A189-R193 WeakPolarHBondContact O-CB 3.42Å; A189-R193 PolarHBondContact O-N 2.76Å; A189-L196 HydrophobicContact CB-CD2 3.96Å
190	E	94.9	Very high	93.3	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-50.3	172.1	172.3	176.9	-123.2	0	0	111.6	K137 G138 F148 R151 R152 L186 Y187 Q192 G194	K137-E190 WeakPolarHBondContact CA-OE1 3.45Å; K137-E190 HydrophobicContact CB-CG 4.19Å; K137-E190 HydrophobicContact CG-CG 4.08Å; G138-E190 PolarHBondContact N-OE1 2.95Å; G138-E190 VanDerWaalsContact N-OE1 3.1Å; F148-E190 HydrophobicContact CE2-CB 4.21Å; F148-E190 WeakPolarHBondContact CE2-OE2 3.21Å; F148-E190 HydrophobicContact CZ-CB 4.18Å; R151-E190 IonicContact CZ-OE1 3.6Å; R151-E190 IonicContact NH1-OE1 2.77Å; R151-E190 PolarHBondContact NH1-OE1 2.87Å; R151-E190 IonicContact NH2-OE1 3.76Å; R151-E190 PolarHBondContact NH2-OE1 2.94Å; R151-E190 IonicContact NH2-OE2 3.47Å; R151-E190 PolarHBondContact NH2-OE2 3.39Å; R152-E190 IonicContact CZ-OE1 3.61Å; R152-E190 VanDerWaalsContact NE-CD 3.27Å; R152-E190 IonicContact NE-OE1 3.52Å; R152-E190 PolarHBondContact NE-OE1 3.33Å; R152-E190 VanDerWaalsContact NH2-CG 3.32Å; R152-E190 IonicContact NH2-OE1 2.68Å; R152-E190 PolarHBondContact NH2-OE1 2.98Å; L186-E190 PolarHBondContact O-N 3.26Å; L186-E190 VanDerWaalsContact O-N 3.13Å; Y187-E190 PolarHBondContact O-N 2.98Å; E190-Q192 VanDerWaalsContact C-N 3.29Å; E190-Q192 PolarHBondContact O-N 3.41Å; E190-G194 WeakPolarHBondContact O-CA 3.44Å; E190-G194 PolarHBondContact O-N 3.15Å
191	Q	92.3	Very high	92.8	Very high	55 Å²	55	54.1 Å²	54.1	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-32.7	-171.7	-65.2	-55.1	62.7	0	0	113.4	K137 Y187 K188	K137-Q191 VanDerWaalsContact NZ-CD 3.32Å; Y187-Q191 HydrophobicContact CD1-CG 4.04Å; Y187-Q191 HydrophobicContact CD2-CG 4.23Å; Y187-Q191 HydrophobicContact CE1-CG 3.66Å; Y187-Q191 HydrophobicContact CE2-CG 3.84Å; Y187-Q191 HydrophobicContact CG-CG 4.32Å; Y187-Q191 VanDerWaalsContact O-CG 3.3Å; Y187-Q191 WeakPolarHBondContact O-CG 3.37Å; Y187-Q191 PolarHBondContact O-N 3.15Å; Y187-Q191 PolarHBondContact OH-NE2 2.6Å; K188-Q191 PolarHBondContact O-N 3.45Å
192	Q	91.6	Very high	92.3	Very high	105 Å²	105	54.8 Å²	54.8	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-94.3	-33.7	-176.6	-65.3	175.1	-0.8	0	0	113.3	K188 E190 S204	K188-Q192 VanDerWaalsContact O-CB 3.31Å; K188-Q192 WeakPolarHBondContact O-CB 3.36Å; K188-Q192 VanDerWaalsContact O-CG 3.32Å; K188-Q192 WeakPolarHBondContact O-CG 3.37Å; K188-Q192 PolarHBondContact O-N 2.79Å; E190-Q192 VanDerWaalsContact C-N 3.29Å; E190-Q192 PolarHBondContact O-N 3.41Å; Q192-S204 PolarHBondContact OE1-O 2.83Å
193	R	91.6	Very high	91.4	Very high	111 Å²	111	55 Å²	55	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-116.2	-4.5	-173.8	-56.8	-59.6	-165	162.5	3.3	113.8	A189 S195 L198 L202 G203	A189-R193 WeakPolarHBondContact O-CB 3.42Å; A189-R193 PolarHBondContact O-N 2.76Å; R193-S195 PolarHBondContact O-N 2.94Å; R193-S195 VanDerWaalsContact O-N 3.1Å; R193-L198 HydrophobicContact CB-CB 4.07Å; R193-L202 PolarHBondContact NH2-O 2.93Å; R193-G203 PolarHBondContact NE-O 3.05Å; R193-G203 VanDerWaalsContact NE-O 3.15Å; R193-G203 PolarHBondContact NH2-O 3.39Å; R193-G203 VanDerWaalsContact NH2-O 3.12Å
194	G	93	Very high	89.9	Confident	31 Å²	31	54.7 Å²	54.7	32%	0.32	29%	0.291	S	S	.	.	S	Bend	trans	72.3	-8.6	-174.2	0	0	0	0	0	114.5	R152 E190	R152-G194 PolarHBondContact NH1-O 3.16Å; R152-G194 PolarHBondContact NH2-O 3.15Å; E190-G194 WeakPolarHBondContact O-CA 3.44Å; E190-G194 PolarHBondContact O-N 3.15Å
195	S	93.7	Very high	88.7	Confident	1 Å²	1	55 Å²	55	1%	0.007	31%	0.305	C	S	.	.	S	Bend	trans	-151.3	140.9	-172.1	158.1	0	0	0	0	110.9	E132 R193 T197 L198 G199	E132-S195 WeakPolarHBondContact OE1-CA 3.14Å; E132-S195 PolarHBondContact OE2-OG 3.21Å; R193-S195 PolarHBondContact O-N 2.94Å; R193-S195 VanDerWaalsContact O-N 3.1Å; S195-T197 PolarHBondContact OG-N 3.3Å; S195-T197 PolarHBondContact OG-OG1 3.42Å; S195-L198 PolarHBondContact OG-N 3.39Å; S195-G199 PolarHBondContact O-N 3.41Å
196	L	93.6	Very high	87.6	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-47.2	174.6	-62.8	178.9	0	0	0	111.4	E132 F148 R152 L153 L186 A189 L198 G199 F200	E132-L196 VanDerWaalsContact CD-N 3.32Å; E132-L196 WeakPolarHBondContact OE1-CB 3.45Å; E132-L196 WeakPolarHBondContact OE1-CG 3.37Å; E132-L196 PolarHBondContact OE1-N 2.96Å; E132-L196 PolarHBondContact OE2-N 2.84Å; E132-L196 VanDerWaalsContact OE2-N 3.16Å; F148-L196 HydrophobicContact CE1-CD1 3.91Å; F148-L196 HydrophobicContact CE1-CD2 3.98Å; F148-L196 HydrophobicContact CE1-CG 4.39Å; F148-L196 HydrophobicContact CZ-CD1 4.47Å; F148-L196 HydrophobicContact CZ-CD2 3.82Å; F148-L196 HydrophobicContact CZ-CG 4.47Å; R152-L196 HydrophobicContact CB-CD1 4.34Å; L153-L196 HydrophobicContact CD1-CD1 4.08Å; L153-L196 HydrophobicContact CG-CD1 4.33Å; L186-L196 HydrophobicContact CB-CD2 4.02Å; L186-L196 HydrophobicContact CD2-CD1 4.34Å; L186-L196 HydrophobicContact CD2-CD2 3.89Å; L186-L196 WeakPolarHBondContact O-CD2 3.14Å; A189-L196 HydrophobicContact CB-CD2 3.96Å; L196-L198 PolarHBondContact O-N 3.01Å; L196-G199 PolarHBondContact O-N 3.04Å; L196-G199 VanDerWaalsContact O-N 3.14Å; L196-F200 HydrophobicContact CB-CD2 4.48Å; L196-F200 HydrophobicContact CB-CE2 4.31Å; L196-F200 WeakPolarHBondContact O-CD2 3.35Å; L196-F200 PolarHBondContact O-N 3.28Å
197	T	90.4	Very high	86.5	Confident	24 Å²	24	59.5 Å²	59.5	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-45	-178.2	56.1	0	0	0	0	111.1	L129 E132 I133 S195 G199 F200 L201	L129-T197 HydrophobicContact CB-CG2 4.28Å; L129-T197 HydrophobicContact CD2-CG2 4.06Å; E132-T197 PolarHBondContact OE2-N 3.06Å; E132-T197 VanDerWaalsContact OE2-N 3.12Å; E132-T197 PolarHBondContact OE2-OG1 2.8Å; E132-T197 VanDerWaalsContact OE2-OG1 3.13Å; I133-T197 WeakPolarHBondContact CG1-OG1 3.16Å; S195-T197 PolarHBondContact OG-N 3.3Å; S195-T197 PolarHBondContact OG-OG1 3.42Å; T197-G199 PolarHBondContact O-N 2.55Å; T197-F200 PolarHBondContact O-N 3.01Å; T197-L201 WeakPolarHBondContact O-CG 3.36Å; T197-L201 PolarHBondContact O-N 3Å; T197-L201 VanDerWaalsContact O-N 3.07Å
198	L	90.7	Very high	86	Confident	58 Å²	58	62.4 Å²	62.4	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-39.2	173.3	-65.8	-178.7	0	0	0	112.3	I133 R193 S195 L196 F200 L201 L202	I133-L198 HydrophobicContact CG2-CD1 4.47Å; R193-L198 HydrophobicContact CB-CB 4.07Å; S195-L198 PolarHBondContact OG-N 3.39Å; L196-L198 PolarHBondContact O-N 3.01Å; L198-F200 VanDerWaalsContact C-N 3.35Å; L198-F200 PolarHBondContact O-N 3.1Å; L198-L201 PolarHBondContact O-N 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 PolarHBondContact O-N 3.24Å
199	G	90.7	Very high	85.7	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-38.9	175.5	0	0	0	0	0	114	S195 L196 T197 G203 S204	S195-G199 PolarHBondContact O-N 3.41Å; L196-G199 PolarHBondContact O-N 3.04Å; L196-G199 VanDerWaalsContact O-N 3.14Å; T197-G199 PolarHBondContact O-N 2.55Å; G199-G203 CarbonylContact O-C 3.53Å; G199-G203 WeakPolarHBondContact O-CA 3.46Å; G199-G203 PolarHBondContact O-N 2.89Å; G199-S204 PolarHBondContact O-N 3.48Å
200	F	87.4	Confident	85.7	Confident	133 Å²	133	66.5 Å²	66.5	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-75.9	-34.2	177.2	-71	-57.5	0	0	0	113.4	L186 L196 T197 L198	L186-F200 HydrophobicContact CD2-CE2 3.73Å; L186-F200 HydrophobicContact CD2-CZ 3.44Å; L186-F200 VanDerWaalsContact CD2-CZ 3.44Å; L196-F200 HydrophobicContact CB-CD2 4.48Å; L196-F200 HydrophobicContact CB-CE2 4.31Å; L196-F200 WeakPolarHBondContact O-CD2 3.35Å; L196-F200 PolarHBondContact O-N 3.28Å; T197-F200 PolarHBondContact O-N 3.01Å; L198-F200 VanDerWaalsContact C-N 3.35Å; L198-F200 PolarHBondContact O-N 3.1Å
201	L	87.1	Confident	85.8	Confident	143 Å²	143	72 Å²	72	75%	0.749	43%	0.431	S	S	*	.	H	α-helix	trans	-76.4	-43.6	179.4	-70.6	172.1	0	0	0	112.8	T197 L198	T197-L201 WeakPolarHBondContact O-CG 3.36Å; T197-L201 PolarHBondContact O-N 3Å; T197-L201 VanDerWaalsContact O-N 3.07Å; L198-L201 PolarHBondContact O-N 3.28Å
202	L	86.7	Confident	86	Confident	107 Å²	107	71.1 Å²	71.1	56%	0.56	43%	0.43	S	S	*	.	H	α-helix	trans	-97.8	-3.6	-174.2	-56.8	177	0	0	0	113.1	R193 L198	R193-L202 PolarHBondContact NH2-O 2.93Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 PolarHBondContact O-N 3.24Å
203	G	79.1	Confident	86.2	Confident	33 Å²	33	66.9 Å²	66.9	34%	0.34	41%	0.414	S	S	.	.			trans	75.1	148.2	-171.9	0	0	0	0	0	113.2	R193 G199	R193-G203 PolarHBondContact NE-O 3.05Å; R193-G203 VanDerWaalsContact NE-O 3.15Å; R193-G203 PolarHBondContact NH2-O 3.39Å; R193-G203 VanDerWaalsContact NH2-O 3.12Å; G199-G203 CarbonylContact O-C 3.53Å; G199-G203 WeakPolarHBondContact O-CA 3.46Å; G199-G203 PolarHBondContact O-N 2.89Å
204	S	64.6	Low	86.5	Confident	31 Å²	31	68.4 Å²	68.4	22%	0.217	43%	0.426	C	S	.	.	S	Bend	trans	-117.1	43	-179.1	62.1	0	0	0	0	112.2	Q192 G199	Q192-S204 PolarHBondContact OE1-O 2.83Å; G199-S204 PolarHBondContact O-N 3.48Å
205	G	66.9	Low	86.7	Confident	64 Å²	64	67.2 Å²	67.2	66%	0.66	41%	0.412	S	S	*	.	S	Bend	trans	112.4	174.6	175.3	0	0	0	0	0	115.1
206	S	68.5	Low	86.9	Confident	125 Å²	125	67.3 Å²	67.3	87%	0.874	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-80.1	129.8	177.6	48.5	0	0	0	0	111.1
207	A	73.3	Confident	87.1	Confident	72 Å²	72	71.3 Å²	71.3	60%	0.595	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-85.8	147.9	165.8	0	0	0	0	0	109.2	V209	A207-V209 PolarHBondContact O-N 3.24Å
208	P	82.7	Confident	87.5	Confident	98 Å²	98	74.5 Å²	74.5	64%	0.636	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.9	134.7	172.2	21.8	-30	0	0	0	110.1	A65	A65-P208 HydrophobicContact CB-CG 3.98Å; A65-P208 WeakPolarHBondContact CB-O 3.46Å
209	V	87.3	Confident	87.9	Confident	136 Å²	136	71.9 Å²	71.9	82%	0.824	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-90.2	118.1	179.4	-178.7	0	0	0	0	108.4	A207	A207-V209 PolarHBondContact O-N 3.24Å
210	I	94.3	Very high	88.2	Confident	59 Å²	59	78.1 Å²	78.1	30%	0.303	45%	0.454	S	S	.	.			trans	-107.4	124.9	171.3	-57.6	-63.2	0	0	0	107.4	A65 T68 N69 P212	A65-I210 HydrophobicContact CB-CG1 3.97Å; T68-I210 HydrophobicContact CG2-CB 4.14Å; T68-I210 HydrophobicContact CG2-CG2 3.88Å; N69-I210 HydrophobicContact CB-CG1 4.44Å; N69-I210 HydrophobicContact CB-CG2 4.22Å; I210-P212 WeakPolarHBondContact O-CD 3.46Å
211	V	95.8	Very high	88.7	Confident	120 Å²	120	80.3 Å²	80.3	73%	0.727	46%	0.459	S	S	*	.			trans	-65.1	120.9	176.8	-178.6	0	0	0	0	108.4	N72	N72-V211 PolarHBondContact ND2-O 3.14Å
212	P	96.2	Very high	89.2	Confident	36 Å²	36	76.9 Å²	76.9	23%	0.234	44%	0.439	C	S	.	.			trans	-78.1	127.2	-176.3	31.4	-34	0	0	0	111.1	T68 I210 A216 Q217	T68-P212 HydrophobicContact CG2-CB 3.84Å; I210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-A216 HydrophobicContact CB-CB 3.78Å; P212-Q217 HydrophobicContact CB-CG 4.04Å; P212-Q217 HydrophobicContact CG-CG 4.07Å; P212-Q217 PolarHBondContact O-NE2 3.13Å
213	G	96.9	Very high	89.7	Confident	15 Å²	15	73.7 Å²	73.7	16%	0.155	43%	0.428	C	S	.	.			trans	-69.3	-179.1	166.3	0	0	0	0	0	112.4	N72 L215 A216 Q217	N72-G213 PolarHBondContact OD1-N 3.3Å; G213-L215 PolarHBondContact O-N 2.92Å; G213-A216 PolarHBondContact O-N 3.06Å; G213-Q217 VanDerWaalsContact O-CG 3.26Å; G213-Q217 WeakPolarHBondContact O-CG 3.46Å; G213-Q217 PolarHBondContact O-N 3.31Å
214	H	97.8	Very high	90.6	Very high	144 Å²	144	72.4 Å²	72.4	67%	0.667	41%	0.413	S	S	*	.	H	α-helix	trans	-59.9	-42.8	-176.2	-73.5	-72.4	0	0	0	113	E75 Q217 R218	E75-H214 IonicContact OE1-CD2 3.67Å; E75-H214 PolarHBondContact OE1-N 3.37Å; E75-H214 WeakPolarHBondContact OE2-CA 3.22Å; E75-H214 PolarHBondContact OE2-N 2.65Å; H214-Q217 PolarHBondContact O-N 3.31Å; H214-R218 WeakPolarHBondContact O-CB 3.43Å; H214-R218 PolarHBondContact O-N 3.22Å
215	L	97.9	Very high	92.1	Very high	6 Å²	6	71.3 Å²	71.3	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-40.3	179	-174.2	61.7	0	0	0	111.6	L71 V74 E75 E80 I83 G213 R218 A219 W224	L71-L215 HydrophobicContact CB-CD2 4.43Å; L71-L215 HydrophobicContact CB-CG 4.42Å; L71-L215 HydrophobicContact CD2-CD2 3.89Å; L71-L215 HydrophobicContact CD2-CG 4.05Å; V74-L215 HydrophobicContact CB-CD2 4.03Å; V74-L215 HydrophobicContact CG1-CD2 3.54Å; E75-L215 HydrophobicContact CB-CB 4.09Å; E75-L215 HydrophobicContact CB-CD2 4.46Å; E75-L215 WeakPolarHBondContact OE2-CB 3.35Å; E75-L215 PolarHBondContact OE2-N 3.43Å; E80-L215 HydrophobicContact CG-CB 4.43Å; E80-L215 HydrophobicContact CG-CD1 4.36Å; E80-L215 HydrophobicContact CG-CD2 4.13Å; I83-L215 HydrophobicContact CD1-CD2 4.49Å; I83-L215 HydrophobicContact CG1-CD1 4.42Å; I83-L215 HydrophobicContact CG1-CD2 4.28Å; G213-L215 PolarHBondContact O-N 2.92Å; L215-R218 WeakPolarHBondContact O-CB 3.27Å; L215-R218 PolarHBondContact O-N 3Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 2.79Å; L215-W224 HydrophobicContact CD1-CH2 3.78Å; L215-W224 HydrophobicContact CD1-CZ3 4.18Å
216	A	97.9	Very high	93.6	Very high	2 Å²	2	71.5 Å²	71.5	2%	0.017	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-38.3	175.1	0	0	0	0	0	112.3	T68 L71 P212 G213 K220	T68-A216 HydrophobicContact CG2-CB 3.95Å; L71-A216 HydrophobicContact CB-CB 4.02Å; L71-A216 HydrophobicContact CD1-CB 4.23Å; P212-A216 HydrophobicContact CB-CB 3.78Å; G213-A216 PolarHBondContact O-N 3.06Å; A216-K220 WeakPolarHBondContact O-CG 3.47Å; A216-K220 PolarHBondContact O-N 3.37Å
217	Q	98	Very high	95	Very high	90 Å²	90	65.7 Å²	65.7	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-43.2	173.4	-68.3	171.6	21.3	0	0	111.5	P212 G213 H214 K220 R221	P212-Q217 HydrophobicContact CB-CG 4.04Å; P212-Q217 HydrophobicContact CG-CG 4.07Å; P212-Q217 PolarHBondContact O-NE2 3.13Å; G213-Q217 VanDerWaalsContact O-CG 3.26Å; G213-Q217 WeakPolarHBondContact O-CG 3.46Å; G213-Q217 PolarHBondContact O-N 3.31Å; H214-Q217 PolarHBondContact O-N 3.31Å; Q217-K220 PolarHBondContact O-N 3.47Å; Q217-R221 PolarHBondContact O-N 3.05Å
218	R	98.2	Very high	96.2	Very high	92 Å²	92	63.1 Å²	63.1	35%	0.347	33%	0.326	S	S	.	.	H	α-helix	trans	-57.8	-47.9	174.3	178.3	177.7	179.2	-151.3	-11.1	111.6	H214 L215 K220 R221 E222 W224	H214-R218 WeakPolarHBondContact O-CB 3.43Å; H214-R218 PolarHBondContact O-N 3.22Å; L215-R218 WeakPolarHBondContact O-CB 3.27Å; L215-R218 PolarHBondContact O-N 3Å; R218-K220 VanDerWaalsContact C-N 3.26Å; R218-K220 PolarHBondContact O-N 3.13Å; R218-R221 PolarHBondContact O-N 3.36Å; R218-R221 VanDerWaalsContact O-N 3.15Å; R218-E222 HydrophobicContact CG-CG 4.37Å; R218-E222 VanDerWaalsContact CG-OE1 3.24Å; R218-E222 WeakPolarHBondContact CG-OE1 3.29Å; R218-E222 IonicContact CZ-OE1 2.64Å; R218-E222 IonicContact NE-OE1 2.83Å; R218-E222 PolarHBondContact NE-OE1 2.95Å; R218-E222 IonicContact NE-OE2 3.42Å; R218-E222 IonicContact NH2-OE1 3.96Å; R218-E222 IonicContact NH2-OE2 3.18Å; R218-E222 WeakPolarHBondContact O-CB 3.44Å; R218-E222 PolarHBondContact O-N 2.87Å; R218-W224 HydrophobicContact CG-CZ2 4.21Å
219	A	98.1	Very high	97	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-37.1	179	0	0	0	0	0	112.9	P62 L71 L215 A223 W224	P62-A219 HydrophobicContact CB-CB 4.11Å; L71-A219 HydrophobicContact CD1-CB 3.5Å; L71-A219 VanDerWaalsContact CD1-CB 3.5Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 2.79Å; A219-A223 PolarHBondContact O-N 3.44Å; A219-W224 HydrophobicContact CB-CB 4.25Å; A219-W224 HydrophobicContact CB-CD2 3.66Å; A219-W224 HydrophobicContact CB-CE3 3.38Å; A219-W224 HydrophobicContact CB-CG 4.09Å; A219-W224 HydrophobicContact CB-CZ3 3.88Å; A219-W224 PolarHBondContact O-N 3.06Å
220	K	97.2	Very high	97.5	Very high	132 Å²	132	57.7 Å²	57.7	57%	0.574	28%	0.281	S	S	*	.	H	α-helix	trans	-67.7	-49.2	173.7	-70.6	177.1	-176	178.1	0	111.6	A216 Q217 R218 E222 A223	A216-K220 WeakPolarHBondContact O-CG 3.47Å; A216-K220 PolarHBondContact O-N 3.37Å; Q217-K220 PolarHBondContact O-N 3.47Å; R218-K220 VanDerWaalsContact C-N 3.26Å; R218-K220 PolarHBondContact O-N 3.13Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E222 PolarHBondContact O-N 3.47Å; K220-A223 PolarHBondContact O-N 3.42Å; K220-A223 VanDerWaalsContact O-N 3.1Å
221	R	97.8	Very high	97.6	Very high	179 Å²	179	61.5 Å²	61.5	68%	0.675	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-41	-179.5	-177.1	179.6	62.5	-113.2	0.1	112.3	Q217 R218 A223	Q217-R221 PolarHBondContact O-N 3.05Å; R218-R221 PolarHBondContact O-N 3.36Å; R218-R221 VanDerWaalsContact O-N 3.15Å; R221-A223 VanDerWaalsContact C-N 3.27Å; R221-A223 PolarHBondContact O-N 3.47Å
222	E	97.4	Very high	97.8	Very high	70 Å²	70	55.9 Å²	55.9	33%	0.327	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	5.5	179.4	-67.6	178.1	-160.9	0	0	113.1	R218 K220 W224	R218-E222 HydrophobicContact CG-CG 4.37Å; R218-E222 VanDerWaalsContact CG-OE1 3.24Å; R218-E222 WeakPolarHBondContact CG-OE1 3.29Å; R218-E222 IonicContact CZ-OE1 2.64Å; R218-E222 IonicContact NE-OE1 2.83Å; R218-E222 PolarHBondContact NE-OE1 2.95Å; R218-E222 IonicContact NE-OE2 3.42Å; R218-E222 IonicContact NH2-OE1 3.96Å; R218-E222 IonicContact NH2-OE2 3.18Å; R218-E222 WeakPolarHBondContact O-CB 3.44Å; R218-E222 PolarHBondContact O-N 2.87Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E222 PolarHBondContact O-N 3.47Å; E222-W224 VanDerWaalsContact CB-CD1 3.47Å; E222-W224 PolarHBondContact O-N 3.14Å; E222-W224 WeakPolarHBondContact OE2-CZ2 3.19Å; E222-W224 PolarHBondContact OE2-NE1 2.66Å
223	A	97.3	Very high	97.8	Very high	40 Å²	40	54.4 Å²	54.4	33%	0.331	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	50.5	178.4	0	0	0	0	0	113.3	S87 Y88 A219 K220 R221 A225	S87-A223 CarbonylContact C-O 3.57Å; S87-A223 VanDerWaalsContact CA-O 3.26Å; S87-A223 WeakPolarHBondContact CA-O 3.15Å; Y88-A223 HydrophobicContact CD2-CB 4.41Å; Y88-A223 VanDerWaalsContact CD2-O 3.23Å; Y88-A223 WeakPolarHBondContact CD2-O 3.3Å; Y88-A223 PolarHBondContact N-O 2.83Å; A219-A223 PolarHBondContact O-N 3.44Å; K220-A223 PolarHBondContact O-N 3.42Å; K220-A223 VanDerWaalsContact O-N 3.1Å; R221-A223 VanDerWaalsContact C-N 3.27Å; R221-A223 PolarHBondContact O-N 3.47Å; A223-A225 PolarHBondContact O-N 3.28Å
224	W	98.1	Very high	97.9	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.3	178	-66.7	5	0	0	0	111.2	P62 L71 I83 P85 Y88 L215 R218 A219 E222 W227	P62-W224 HydrophobicContact CG-CB 3.91Å; P62-W224 WeakPolarHBondContact CG-O 3.19Å; L71-W224 HydrophobicContact CD2-CZ3 4.4Å; I83-W224 HydrophobicContact CB-CH2 4.4Å; I83-W224 HydrophobicContact CG2-CE3 4.47Å; I83-W224 HydrophobicContact CG2-CH2 3.46Å; I83-W224 VanDerWaalsContact CG2-CH2 3.46Å; I83-W224 HydrophobicContact CG2-CZ2 4.34Å; I83-W224 HydrophobicContact CG2-CZ3 3.54Å; P85-W224 HydrophobicContact CB-CD2 3.37Å; P85-W224 HydrophobicContact CB-CE3 3.89Å; P85-W224 HydrophobicContact CB-CG 3.79Å; P85-W224 HydrophobicContact CB-CH2 4.08Å; P85-W224 HydrophobicContact CB-CZ2 3.57Å; P85-W224 HydrophobicContact CB-CZ3 4.22Å; P85-W224 HydrophobicContact CG-CD2 4.42Å; P85-W224 HydrophobicContact CG-CH2 4.43Å; P85-W224 HydrophobicContact CG-CZ2 3.76Å; Y88-W224 WeakPolarHBondContact CE2-O 3.47Å; L215-W224 HydrophobicContact CD1-CH2 3.78Å; L215-W224 HydrophobicContact CD1-CZ3 4.18Å; R218-W224 HydrophobicContact CG-CZ2 4.21Å; A219-W224 HydrophobicContact CB-CB 4.25Å; A219-W224 HydrophobicContact CB-CD2 3.66Å; A219-W224 HydrophobicContact CB-CE3 3.38Å; A219-W224 HydrophobicContact CB-CG 4.09Å; A219-W224 HydrophobicContact CB-CZ3 3.88Å; A219-W224 PolarHBondContact O-N 3.06Å; E222-W224 VanDerWaalsContact CB-CD1 3.47Å; E222-W224 PolarHBondContact O-N 3.14Å; E222-W224 WeakPolarHBondContact OE2-CZ2 3.19Å; E222-W224 PolarHBondContact OE2-NE1 2.66Å; W224-W227 HydrophobicContact CE3-CB 4.11Å; W224-W227 HydrophobicContact CE3-CG 4.31Å; W224-W227 HydrophobicContact CZ3-CB 4.39Å
225	A	97.3	Very high	98	Very high	8 Å²	8	48.2 Å²	48.2	7%	0.066	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-39.6	171.8	0	0	0	0	0	111.4	P62 V86 Y88 S93 A223	P62-A225 WeakPolarHBondContact CD-O 3.43Å; V86-A225 PolarHBondContact O-N 3.19Å; Y88-A225 HydrophobicContact CD1-CB 3.61Å; Y88-A225 HydrophobicContact CD2-CB 4.11Å; Y88-A225 HydrophobicContact CE1-CB 3.65Å; Y88-A225 HydrophobicContact CE2-CB 4.14Å; Y88-A225 HydrophobicContact CG-CB 3.84Å; S93-A225 WeakPolarHBondContact OG-CB 3.39Å; A223-A225 PolarHBondContact O-N 3.28Å
226	Q	98	Very high	98	Very high	67 Å²	67	48.2 Å²	48.2	31%	0.313	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	166.8	175.3	61.7	-176.8	-19.8	0	0	109.9	I60 V86	I60-Q226 CarbonylContact O-C 3.18Å; I60-Q226 WeakPolarHBondContact O-CA 3.47Å; V86-Q226 HydrophobicContact CB-CG 4.01Å; V86-Q226 HydrophobicContact CG2-CG 4.28Å; V86-Q226 PolarHBondContact N-O 3.38Å; V86-Q226 PolarHBondContact O-N 2.9Å
227	W	98.5	Very high	98	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.011	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158	174.8	58.6	-86.5	0	0	0	110.7	G59 I60 T70 L71 V74 I83 L84 W224 L229	G59-W227 CarbonylContact C-O 3.53Å; G59-W227 VanDerWaalsContact CA-O 3.31Å; G59-W227 WeakPolarHBondContact CA-O 3.15Å; I60-W227 HydrophobicContact CB-CD2 4.32Å; I60-W227 HydrophobicContact CB-CH2 4.32Å; I60-W227 HydrophobicContact CB-CZ2 3.79Å; I60-W227 HydrophobicContact CD1-CH2 3.59Å; I60-W227 HydrophobicContact CD1-CZ2 3.88Å; I60-W227 HydrophobicContact CD1-CZ3 4.1Å; I60-W227 HydrophobicContact CG1-CZ2 4.45Å; I60-W227 HydrophobicContact CG2-CZ2 3.68Å; I60-W227 PolarHBondContact N-O 3.48Å; I60-W227 PolarHBondContact O-N 3.44Å; I60-W227 PolarHBondContact O-NE1 2.83Å; T70-W227 HydrophobicContact CG2-CH2 4.18Å; T70-W227 HydrophobicContact CG2-CZ2 3.84Å; L71-W227 HydrophobicContact CD2-CD2 4.11Å; L71-W227 HydrophobicContact CD2-CG 4.48Å; L71-W227 HydrophobicContact CD2-CH2 4.49Å; L71-W227 HydrophobicContact CD2-CZ2 3.73Å; L71-W227 HydrophobicContact CG-CZ2 4.47Å; V74-W227 HydrophobicContact CG2-CH2 3.5Å; V74-W227 VanDerWaalsContact CG2-CH2 3.5Å; V74-W227 HydrophobicContact CG2-CZ2 4.25Å; V74-W227 HydrophobicContact CG2-CZ3 4.09Å; I83-W227 HydrophobicContact CD1-CD2 4.12Å; I83-W227 HydrophobicContact CD1-CE3 3.33Å; I83-W227 HydrophobicContact CD1-CZ3 3.58Å; I83-W227 HydrophobicContact CG2-CB 4.12Å; L84-W227 CarbonylContact O-C 3.53Å; L84-W227 VanDerWaalsContact O-CA 3.28Å; L84-W227 WeakPolarHBondContact O-CA 3.22Å; W224-W227 HydrophobicContact CE3-CB 4.11Å; W224-W227 HydrophobicContact CE3-CG 4.31Å; W224-W227 HydrophobicContact CZ3-CB 4.39Å; W227-L229 HydrophobicContact CZ3-CD2 4.48Å; W227-L229 HydrophobicContact CZ3-CG 4.38Å
228	S	98.5	Very high	98	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-170.4	170.8	-167.2	0	0	0	0	109.6	R58 L84 V233	R58-S228 PolarHBondContact O-OG 2.8Å; L84-S228 PolarHBondContact N-O 3.47Å; L84-S228 PolarHBondContact O-N 3.07Å; S228-V233 WeakPolarHBondContact OG-CG1 3.47Å
229	L	98.5	Very high	98.1	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.2	176.9	-66.3	167.9	0	0	0	110.7	L79 D82 I83 W227 R231 G232 T235 L236	L79-L229 HydrophobicContact CB-CD2 4.38Å; L79-L229 HydrophobicContact CD1-CD1 4.24Å; D82-L229 HydrophobicContact CB-CD2 3.95Å; D82-L229 CarbonylContact O-C 3.49Å; D82-L229 VanDerWaalsContact O-CA 3.29Å; D82-L229 WeakPolarHBondContact O-CA 3.27Å; I83-L229 HydrophobicContact CD1-CD2 3.69Å; I83-L229 HydrophobicContact CG1-CD2 4.39Å; W227-L229 HydrophobicContact CZ3-CD2 4.48Å; W227-L229 HydrophobicContact CZ3-CG 4.38Å; L229-R231 PolarHBondContact O-N 3.12Å; L229-R231 VanDerWaalsContact O-N 3.14Å; L229-G232 PolarHBondContact O-N 3.17Å; L229-T235 HydrophobicContact CD1-CG2 4.05Å; L229-L236 HydrophobicContact CD1-CB 3.92Å
230	K	97.8	Very high	98.1	Very high	115 Å²	115	43 Å²	43	50%	0.5	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-39.2	-176.2	-78.5	175.5	-175.4	167.4	0	114	G81 D82 L84	G81-K230 VanDerWaalsContact O-CE 3.25Å; G81-K230 WeakPolarHBondContact O-CE 3.34Å; G81-K230 PolarHBondContact O-NZ 3.01Å; D82-K230 WeakPolarHBondContact O-CG 3.18Å; D82-K230 PolarHBondContact O-N 3.03Å; L84-K230 HydrophobicContact CD1-CG 4.36Å; L84-K230 HydrophobicContact CD2-CG 3.81Å; L84-K230 HydrophobicContact CG-CG 3.92Å
231	R	97.1	Very high	98.1	Very high	140 Å²	140	37.2 Å²	37.2	53%	0.528	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	18.4	-179.1	-62.8	178.7	66.2	-147.2	0.1	112.7	R46 L229 T235	R46-R231 PolarHBondContact NE-O 3.26Å; R46-R231 PolarHBondContact NH2-O 3.22Å; R46-R231 VanDerWaalsContact NH2-O 3.09Å; L229-R231 PolarHBondContact O-N 3.12Å; L229-R231 VanDerWaalsContact O-N 3.14Å; R231-T235 WeakPolarHBondContact CB-OG1 3.28Å
232	G	98.3	Very high	98.1	Very high	2 Å²	2	34 Å²	34	2%	0.021	17%	0.167	C	C	.	.			trans	91.2	159.3	-177.1	0	0	0	0	0	113.6	S44 E54 L229 E234 T235	S44-G232 WeakPolarHBondContact OG-CA 3.16Å; E54-G232 WeakPolarHBondContact OE1-CA 3.07Å; L229-G232 PolarHBondContact O-N 3.17Å; G232-E234 PolarHBondContact O-N 3.18Å; G232-E234 VanDerWaalsContact O-N 3.14Å; G232-T235 VanDerWaalsContact O-CB 3.32Å; G232-T235 WeakPolarHBondContact O-CB 3.42Å; G232-T235 PolarHBondContact O-N 3.01Å; G232-T235 PolarHBondContact O-OG1 3.14Å
233	V	98.1	Very high	98.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.3	-176.1	-59.2	0	0	0	0	113.1	L42 S44 E54 P57 S228 T235 L236 P237	L42-V233 HydrophobicContact CB-CG2 4.34Å; L42-V233 HydrophobicContact CG-CG2 4.26Å; S44-V233 PolarHBondContact OG-N 3Å; E54-V233 PolarHBondContact OE1-N 3.23Å; E54-V233 WeakPolarHBondContact OE2-CG2 3.34Å; P57-V233 WeakPolarHBondContact O-CG2 3.4Å; S228-V233 WeakPolarHBondContact OG-CG1 3.47Å; V233-T235 PolarHBondContact O-N 3.47Å; V233-L236 WeakPolarHBondContact O-CB 3.05Å; V233-L236 PolarHBondContact O-N 2.98Å; V233-L236 VanDerWaalsContact O-N 3.1Å; V233-P237 VanDerWaalsContact O-CD 3.3Å; V233-P237 WeakPolarHBondContact O-CD 3.28Å
234	E	98.6	Very high	98.1	Very high	24 Å²	24	31.8 Å²	31.8	11%	0.112	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.8	171.8	-177.5	170.7	-168.5	0	0	112.8	R37 W43 S44 G232 L236 P237 E238	R37-E234 IonicContact CZ-OE1 3.7Å; R37-E234 IonicContact NE-OE1 3.7Å; R37-E234 PolarHBondContact NE-OE1 3.39Å; R37-E234 IonicContact NH2-OE1 3.91Å; R37-E234 PolarHBondContact NH2-OE1 3.15Å; R37-E234 IonicContact NH2-OE2 2.66Å; W43-E234 VanDerWaalsContact CD1-OE2 3.3Å; S44-E234 PolarHBondContact N-OE2 3.13Å; S44-E234 VanDerWaalsContact OG-CB 3.31Å; S44-E234 WeakPolarHBondContact OG-CB 3.38Å; S44-E234 PolarHBondContact OG-N 3.25Å; S44-E234 VanDerWaalsContact OG-N 3.12Å; G232-E234 PolarHBondContact O-N 3.18Å; G232-E234 VanDerWaalsContact O-N 3.14Å; E234-L236 PolarHBondContact O-N 3.18Å; E234-P237 WeakPolarHBondContact O-CD 3.48Å; E234-P237 WeakPolarHBondContact O-CG 3.2Å; E234-E238 HydrophobicContact CG-CG 4.12Å; E234-E238 WeakPolarHBondContact O-CB 3.41Å; E234-E238 VanDerWaalsContact O-CG 3.29Å; E234-E238 WeakPolarHBondContact O-CG 3.18Å; E234-E238 PolarHBondContact O-N 2.69Å; E234-E238 VanDerWaalsContact O-N 3.08Å
235	T	98.5	Very high	97.9	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-29.8	172.3	-62.1	0	0	0	0	112.9	R46 L79 L229 R231 G232 V233 E238 S239	R46-T235 PolarHBondContact NH2-OG1 2.91Å; L79-T235 HydrophobicContact CD2-CG2 4.01Å; L229-T235 HydrophobicContact CD1-CG2 4.05Å; R231-T235 WeakPolarHBondContact CB-OG1 3.28Å; G232-T235 VanDerWaalsContact O-CB 3.32Å; G232-T235 WeakPolarHBondContact O-CB 3.42Å; G232-T235 PolarHBondContact O-N 3.01Å; G232-T235 PolarHBondContact O-OG1 3.14Å; V233-T235 PolarHBondContact O-N 3.47Å; T235-E238 WeakPolarHBondContact CA-OE2 3.47Å; T235-S239 WeakPolarHBondContact O-CB 3.34Å; T235-S239 PolarHBondContact O-N 3.29Å; T235-S239 PolarHBondContact O-OG 3.39Å
236	L	98.6	Very high	97.8	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-58.5	177.4	177.8	60.2	0	0	0	112.4	I11 I60 V74 L77 L79 L229 V233 E234 E238 S239 I240	I11-L236 HydrophobicContact CD1-CD2 4.06Å; I11-L236 HydrophobicContact CD1-CG 4.16Å; I60-L236 HydrophobicContact CD1-CD2 4.25Å; V74-L236 HydrophobicContact CG2-CD1 4.07Å; L77-L236 HydrophobicContact CD1-CD1 3.83Å; L79-L236 HydrophobicContact CD1-CD1 4.33Å; L229-L236 HydrophobicContact CD1-CB 3.92Å; V233-L236 WeakPolarHBondContact O-CB 3.05Å; V233-L236 PolarHBondContact O-N 2.98Å; V233-L236 VanDerWaalsContact O-N 3.1Å; E234-L236 PolarHBondContact O-N 3.18Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-E238 PolarHBondContact O-N 3.37Å; L236-S239 PolarHBondContact O-N 3.13Å; L236-I240 HydrophobicContact CD1-CD1 4.07Å; L236-I240 HydrophobicContact CD1-CG1 4.4Å; L236-I240 HydrophobicContact CG-CD1 4.15Å; L236-I240 WeakPolarHBondContact O-CG1 3.38Å; L236-I240 PolarHBondContact O-N 2.65Å
237	P	98.4	Very high	97.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-31.1	176.6	25.1	-34.8	0	0	0	113.8	L14 G39 L42 V233 E234 I240 A241	L14-P237 HydrophobicContact CD1-CB 3.4Å; L14-P237 VanDerWaalsContact CD1-CB 3.4Å; G39-P237 VanDerWaalsContact CA-CB 3.47Å; L42-P237 HydrophobicContact CB-CG 3.95Å; L42-P237 HydrophobicContact CD2-CG 4.2Å; V233-P237 VanDerWaalsContact O-CD 3.3Å; V233-P237 WeakPolarHBondContact O-CD 3.28Å; E234-P237 WeakPolarHBondContact O-CD 3.48Å; E234-P237 WeakPolarHBondContact O-CG 3.2Å; P237-I240 PolarHBondContact O-N 3.27Å; P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 3.4Å
238	E	98.5	Very high	97.1	Very high	59 Å²	59	47.6 Å²	47.6	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-56.4	-52.3	170.8	-74.1	171.5	156.9	0	0	110.3	R46 E234 T235 L236 I240 A241 E242	R46-E238 IonicContact CZ-OE1 2.96Å; R46-E238 IonicContact CZ-OE2 3.32Å; R46-E238 IonicContact NH1-OE1 3.27Å; R46-E238 PolarHBondContact NH1-OE1 3.15Å; R46-E238 IonicContact NH1-OE2 2.79Å; R46-E238 PolarHBondContact NH1-OE2 3.19Å; R46-E238 IonicContact NH2-OE1 3.22Å; R46-E238 PolarHBondContact NH2-OE1 3.23Å; R46-E238 IonicContact NH2-OE2 3.33Å; R46-E238 PolarHBondContact NH2-OE2 2.78Å; E234-E238 HydrophobicContact CG-CG 4.12Å; E234-E238 WeakPolarHBondContact O-CB 3.41Å; E234-E238 VanDerWaalsContact O-CG 3.29Å; E234-E238 WeakPolarHBondContact O-CG 3.18Å; E234-E238 PolarHBondContact O-N 2.69Å; E234-E238 VanDerWaalsContact O-N 3.08Å; T235-E238 WeakPolarHBondContact CA-OE2 3.47Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-E238 PolarHBondContact O-N 3.37Å; E238-I240 PolarHBondContact O-N 2.77Å; E238-A241 WeakPolarHBondContact O-CB 3.38Å; E238-A241 PolarHBondContact O-N 2.77Å; E238-A241 VanDerWaalsContact O-N 3.13Å; E238-E242 WeakPolarHBondContact O-CG 3.3Å; E238-E242 PolarHBondContact O-N 2.78Å
239	S	98.5	Very high	96.9	Very high	17 Å²	17	50.8 Å²	50.8	12%	0.119	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-34.3	-177.5	-52.9	0	0	0	0	112.8	T235 L236 F243	T235-S239 WeakPolarHBondContact O-CB 3.34Å; T235-S239 PolarHBondContact O-N 3.29Å; T235-S239 PolarHBondContact O-OG 3.39Å; L236-S239 PolarHBondContact O-N 3.13Å; S239-F243 WeakPolarHBondContact O-CB 3.2Å; S239-F243 PolarHBondContact O-N 2.9Å
240	I	98.4	Very high	96.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-44.7	172.5	-64.5	164.4	0	0	0	110	I11 L14 F18 M73 L77 L236 P237 E238 E242 F243 L244	I11-I240 HydrophobicContact CD1-CD1 3.73Å; L14-I240 HydrophobicContact CB-CB 4.38Å; L14-I240 HydrophobicContact CB-CD1 4.47Å; L14-I240 HydrophobicContact CB-CG2 3.79Å; F18-I240 HydrophobicContact CB-CG2 4.16Å; M73-I240 HydrophobicContact SD-CD1 3.78Å; M73-I240 HydrophobicContact SD-CG1 4.35Å; L77-I240 HydrophobicContact CD1-CD1 4.48Å; L77-I240 HydrophobicContact CD1-CG1 3.6Å; L77-I240 HydrophobicContact CD2-CG1 4.36Å; L236-I240 HydrophobicContact CD1-CD1 4.07Å; L236-I240 HydrophobicContact CD1-CG1 4.4Å; L236-I240 HydrophobicContact CG-CD1 4.15Å; L236-I240 WeakPolarHBondContact O-CG1 3.38Å; L236-I240 PolarHBondContact O-N 2.65Å; P237-I240 PolarHBondContact O-N 3.27Å; E238-I240 PolarHBondContact O-N 2.77Å; I240-E242 PolarHBondContact O-N 2.85Å; I240-F243 PolarHBondContact O-N 3.18Å; I240-L244 HydrophobicContact CG2-CD1 3.75Å; I240-L244 HydrophobicContact CG2-CG 4.12Å; I240-L244 WeakPolarHBondContact O-CB 3.31Å; I240-L244 WeakPolarHBondContact O-CG 3.33Å; I240-L244 PolarHBondContact O-N 2.93Å
241	A	98.1	Very high	96.7	Very high	11 Å²	11	49.4 Å²	49.4	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-43.5	179.1	0	0	0	0	0	111.8	F38 P237 E238 L244 Q245 L252	F38-A241 HydrophobicContact CD2-CB 4.22Å; P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 3.4Å; E238-A241 WeakPolarHBondContact O-CB 3.38Å; E238-A241 PolarHBondContact O-N 2.77Å; E238-A241 VanDerWaalsContact O-N 3.13Å; A241-L244 PolarHBondContact O-N 3.29Å; A241-Q245 WeakPolarHBondContact O-CB 3.32Å; A241-Q245 PolarHBondContact O-N 2.92Å; A241-L252 HydrophobicContact CB-CD1 4.11Å; A241-L252 WeakPolarHBondContact O-CD1 3.16Å
242	E	97.3	Very high	96.8	Very high	113 Å²	113	44.7 Å²	44.7	53%	0.528	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-48.2	175	-71.5	174.4	-171.6	0	0	111.9	E238 I240 L244 Q245 Q246	E238-E242 WeakPolarHBondContact O-CG 3.3Å; E238-E242 PolarHBondContact O-N 2.78Å; I240-E242 PolarHBondContact O-N 2.85Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.68Å; E242-Q245 PolarHBondContact O-N 3.1Å; E242-Q246 WeakPolarHBondContact O-CG 3.37Å; E242-Q246 PolarHBondContact O-N 3.29Å
243	F	97.3	Very high	96.7	Very high	62 Å²	62	47.1 Å²	47.1	27%	0.272	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-44.4	175.7	173.6	-91.6	0	0	0	112.1	F18 L77 S239 I240 Q246 S247	F18-F243 AromaticContact CD2-CD1 3.5Å; F18-F243 HydrophobicContact CD2-CD1 3.5Å; F18-F243 AromaticContact CD2-CE1 3.54Å; F18-F243 HydrophobicContact CD2-CE1 3.54Å; F18-F243 HydrophobicContact CD2-CG 4.34Å; F18-F243 HydrophobicContact CD2-CZ 4.4Å; F18-F243 AromaticContact CE2-CD1 3.74Å; F18-F243 HydrophobicContact CE2-CD1 3.74Å; F18-F243 AromaticContact CE2-CE1 3.62Å; F18-F243 HydrophobicContact CE2-CE1 3.62Å; F18-F243 HydrophobicContact CE2-CG 4.24Å; F18-F243 HydrophobicContact CE2-CZ 4.04Å; L77-F243 HydrophobicContact CD2-CB 3.73Å; L77-F243 HydrophobicContact CD2-CD2 4.38Å; L77-F243 HydrophobicContact CD2-CG 4Å; S239-F243 WeakPolarHBondContact O-CB 3.2Å; S239-F243 PolarHBondContact O-N 2.9Å; I240-F243 PolarHBondContact O-N 3.18Å; F243-Q246 PolarHBondContact O-N 2.97Å; F243-S247 PolarHBondContact O-N 3.45Å; F243-S247 VanDerWaalsContact O-N 3.12Å
244	L	96.9	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-43.1	178.8	-70.8	171.2	0	0	0	111.4	L14 C21 I240 A241 E242 Q246 S247 V250 L252	L14-L244 HydrophobicContact CD2-CD1 4.18Å; C21-L244 HydrophobicContact CB-CD2 4.44Å; I240-L244 HydrophobicContact CG2-CD1 3.75Å; I240-L244 HydrophobicContact CG2-CG 4.12Å; I240-L244 WeakPolarHBondContact O-CB 3.31Å; I240-L244 WeakPolarHBondContact O-CG 3.33Å; I240-L244 PolarHBondContact O-N 2.93Å; A241-L244 PolarHBondContact O-N 3.29Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.68Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.01Å; L244-S247 WeakPolarHBondContact O-CB 3.49Å; L244-S247 PolarHBondContact O-N 2.91Å; L244-S247 PolarHBondContact O-OG 3.4Å; L244-V250 HydrophobicContact CB-CB 4.11Å; L244-V250 HydrophobicContact CB-CG1 4.03Å; L244-V250 HydrophobicContact CB-CG2 4.17Å; L244-V250 HydrophobicContact CD2-CB 4.47Å; L244-V250 HydrophobicContact CD2-CG1 4.36Å; L244-V250 HydrophobicContact CD2-CG2 3.72Å; L244-L252 HydrophobicContact CB-CD1 4.35Å; L244-L252 HydrophobicContact CB-CD2 4.48Å; L244-L252 HydrophobicContact CD1-CD2 4.29Å
245	Q	94.9	Very high	96.6	Very high	144 Å²	144	55.1 Å²	55.1	67%	0.673	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-40.3	178.1	-172.5	169.9	3.5	0	0	111.8	A241 E242 S247 L252	A241-Q245 WeakPolarHBondContact O-CB 3.32Å; A241-Q245 PolarHBondContact O-N 2.92Å; E242-Q245 PolarHBondContact O-N 3.1Å; Q245-S247 VanDerWaalsContact C-N 3.29Å; Q245-S247 PolarHBondContact O-N 3.07Å; Q245-L252 HydrophobicContact CB-CD1 4.32Å
246	Q	95.2	Very high	96.5	Very high	158 Å²	158	55 Å²	55	74%	0.738	28%	0.281	S	S	*	.	H	α-helix	trans	-70.2	-22.8	177.5	-69.6	171.8	5.9	0	0	113.4	E242 F243 L244 G248	E242-Q246 WeakPolarHBondContact O-CG 3.37Å; E242-Q246 PolarHBondContact O-N 3.29Å; F243-Q246 PolarHBondContact O-N 2.97Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.01Å; Q246-G248 PolarHBondContact O-N 3.48Å
247	S	92.3	Very high	96.4	Very high	43 Å²	43	55.7 Å²	55.7	30%	0.301	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.3	-178.1	77.7	0	0	0	0	114.7	F243 L244 Q245 K249 V250	F243-S247 PolarHBondContact O-N 3.45Å; F243-S247 VanDerWaalsContact O-N 3.12Å; L244-S247 WeakPolarHBondContact O-CB 3.49Å; L244-S247 PolarHBondContact O-N 2.91Å; L244-S247 PolarHBondContact O-OG 3.4Å; Q245-S247 VanDerWaalsContact C-N 3.29Å; Q245-S247 PolarHBondContact O-N 3.07Å; S247-K249 PolarHBondContact O-N 3.34Å; S247-K249 PolarHBondContact OG-N 2.62Å; S247-V250 WeakPolarHBondContact OG-CG2 3.34Å
248	G	88.9	Confident	96.3	Very high	73 Å²	73	57.7 Å²	57.7	75%	0.753	30%	0.299	S	S	*	.	S	Bend	trans	67.4	-7.4	-175.1	0	0	0	0	0	115.5	Q246	Q246-G248 PolarHBondContact O-N 3.48Å
249	K	93.6	Very high	96.2	Very high	86 Å²	86	63.3 Å²	63.3	37%	0.374	32%	0.318	S	S	.	.	S	Bend	trans	-95.8	-9.6	179.7	-67	-174.4	-178.2	-179.6	0	113.7	C21 K28 V29 S247	C21-K249 PolarHBondContact O-NZ 2.7Å; K28-K249 CarbonylContact C-O 3.46Å; K28-K249 WeakPolarHBondContact CA-O 3.43Å; V29-K249 PolarHBondContact N-O 3.16Å; S247-K249 PolarHBondContact O-N 3.34Å; S247-K249 PolarHBondContact OG-N 2.62Å
250	V	97	Very high	96.1	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.085	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.3	-167.1	-171.9	0	0	0	0	110.1	C21 V29 V31 L244 S247 L252	C21-V250 HydrophobicContact CB-CG2 4.04Å; V29-V250 HydrophobicContact CB-CB 4.47Å; V29-V250 HydrophobicContact CB-CG1 4.17Å; V29-V250 HydrophobicContact CB-CG2 4.11Å; V29-V250 HydrophobicContact CG1-CG1 4.32Å; V29-V250 CarbonylContact O-C 3.49Å; V29-V250 VanDerWaalsContact O-CA 3.3Å; V29-V250 WeakPolarHBondContact O-CA 3.45Å; V31-V250 HydrophobicContact CG2-CG1 4.04Å; L244-V250 HydrophobicContact CB-CB 4.11Å; L244-V250 HydrophobicContact CB-CG1 4.03Å; L244-V250 HydrophobicContact CB-CG2 4.17Å; L244-V250 HydrophobicContact CD2-CB 4.47Å; L244-V250 HydrophobicContact CD2-CG1 4.36Å; L244-V250 HydrophobicContact CD2-CG2 3.72Å; S247-V250 WeakPolarHBondContact OG-CG2 3.34Å; V250-L252 HydrophobicContact CG1-CD2 3.83Å; V250-L252 HydrophobicContact CG1-CG 4.3Å
251	E	97	Very high	96.1	Very high	75 Å²	75	71.7 Å²	71.7	35%	0.35	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.1	168.5	-66.7	-178.6	-174.1	0	0	109.9	K28 V29 V31 H253	K28-E251 WeakPolarHBondContact CE-OE1 3.07Å; K28-E251 IonicContact NZ-OE1 3.58Å; K28-E251 PolarHBondContact NZ-OE1 3.44Å; K28-E251 IonicContact NZ-OE2 3.95Å; V29-E251 PolarHBondContact O-N 3.13Å; V31-E251 PolarHBondContact N-O 3.12Å; E251-H253 IonicContact OE2-CE1 3.38Å; E251-H253 IonicContact OE2-NE2 2.95Å; E251-H253 PolarHBondContact OE2-NE2 2.9Å
252	L	97.6	Very high	96	Very high	41 Å²	41	73.9 Å²	73.9	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.8	179.5	-64.6	-178.2	0	0	0	109.6	V31 F38 A241 L244 Q245 V250	V31-L252 HydrophobicContact CB-CD2 3.69Å; V31-L252 HydrophobicContact CG1-CD2 4.39Å; V31-L252 HydrophobicContact CG2-CD2 3.62Å; F38-L252 HydrophobicContact CE2-CB 3.89Å; F38-L252 HydrophobicContact CE2-CD1 4.24Å; F38-L252 HydrophobicContact CE2-CG 4.5Å; F38-L252 HydrophobicContact CZ-CB 3.67Å; F38-L252 HydrophobicContact CZ-CD2 4.26Å; F38-L252 HydrophobicContact CZ-CG 4.39Å; A241-L252 HydrophobicContact CB-CD1 4.11Å; A241-L252 WeakPolarHBondContact O-CD1 3.16Å; L244-L252 HydrophobicContact CB-CD1 4.35Å; L244-L252 HydrophobicContact CB-CD2 4.48Å; L244-L252 HydrophobicContact CD1-CD2 4.29Å; Q245-L252 HydrophobicContact CB-CD1 4.32Å; V250-L252 HydrophobicContact CG1-CD2 3.83Å; V250-L252 HydrophobicContact CG1-CG 4.3Å
253	H	97.4	Very high	96	Very high	53 Å²	53	72.6 Å²	72.6	25%	0.245	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.5	178.3	-59.7	-101.7	0	0	0	110	V31 L32 E33 E251 A256 K272	V31-H253 PolarHBondContact O-N 3.3Å; L32-H253 HydrophobicContact CD2-CB 3.79Å; E33-H253 PolarHBondContact N-O 2.93Å; E251-H253 IonicContact OE2-CE1 3.38Å; E251-H253 IonicContact OE2-NE2 2.95Å; E251-H253 PolarHBondContact OE2-NE2 2.9Å; H253-A256 HydrophobicContact CB-CB 3.75Å; H253-K272 PolarHBondContact ND1-NZ 2.94Å
254	R	96.6	Very high	96	Very high	149 Å²	149	72.8 Å²	72.8	56%	0.562	38%	0.375	S	S	*	.	S	Bend	trans	-97.2	166.9	169.1	-63.5	174.8	-69.1	170.1	-6.6	109.3	E33 S36 F38 A256	E33-R254 CarbonylContact O-C 3.48Å; S36-R254 WeakPolarHBondContact O-CD 3.49Å; S36-R254 PolarHBondContact O-NH1 3.35Å; F38-R254 HydrophobicContact CD2-CG 4.09Å; F38-R254 HydrophobicContact CE1-CG 4.21Å; F38-R254 HydrophobicContact CE2-CG 3.46Å; F38-R254 VanDerWaalsContact CE2-CG 3.46Å; F38-R254 HydrophobicContact CZ-CG 3.52Å; R254-A256 PolarHBondContact O-N 3.47Å
255	D	96.8	Very high	95.8	Very high	48 Å²	48	80.2 Å²	80.2	26%	0.257	42%	0.42	S	S	.	.	S	Bend	trans	54.1	27	-178.2	-56	-57.8	0	0	0	112.6	E33 S35 S36 M275	E33-D255 PolarHBondContact O-N 3.49Å; E33-D255 VanDerWaalsContact O-N 3.15Å; S35-D255 PolarHBondContact O-N 3.47Å; S36-D255 WeakPolarHBondContact CA-OD1 3.36Å; S36-D255 PolarHBondContact N-OD1 3.5Å; D255-M275 HydrophobicContact CB-CE 3.94Å
256	A	96.7	Very high	95.6	Very high	4 Å²	4	78.9 Å²	78.9	3%	0.033	43%	0.427	C	S	.	.			trans	-114.1	56.4	-168.3	0	0	0	0	0	110.8	L32 E33 H253 R254 V258 K272	L32-A256 HydrophobicContact CD2-CB 4.25Å; E33-A256 PolarHBondContact O-N 3.28Å; H253-A256 HydrophobicContact CB-CB 3.75Å; R254-A256 PolarHBondContact O-N 3.47Å; A256-V258 PolarHBondContact O-N 3.06Å; A256-V258 VanDerWaalsContact O-N 3.16Å; A256-K272 HydrophobicContact CB-CD 3.95Å
257	A	96.8	Very high	95.6	Very high	18 Å²	18	72.8 Å²	72.8	15%	0.149	41%	0.406	C	S	.	.			trans	-60.8	118.3	-179.4	0	0	0	0	0	111.3	K272 N273	A257-K272 VanDerWaalsContact O-CA 3.31Å; A257-K272 WeakPolarHBondContact O-CA 3.49Å; A257-N273 PolarHBondContact O-N 3.47Å
258	V	97.1	Very high	95.8	Very high	44 Å²	44	79.1 Å²	79.1	27%	0.267	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129	176.3	177.1	0	0	0	0	108.7	L7 L32 A256 I261 V270	L7-V258 HydrophobicContact CD1-CG1 4.18Å; L7-V258 HydrophobicContact CD2-CG2 3.87Å; L32-V258 HydrophobicContact CB-CG2 3.88Å; L32-V258 HydrophobicContact CD1-CG2 3.58Å; L32-V258 HydrophobicContact CG-CG2 4.39Å; A256-V258 PolarHBondContact O-N 3.06Å; A256-V258 VanDerWaalsContact O-N 3.16Å; V258-I261 HydrophobicContact CG1-CG1 4.17Å; V258-V270 HydrophobicContact CB-CG1 4.48Å; V258-V270 HydrophobicContact CG1-CG1 3.7Å; V258-V270 HydrophobicContact CG2-CG1 3.95Å
259	R	96.2	Very high	96.1	Very high	176 Å²	176	81.7 Å²	81.7	66%	0.664	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	-28.7	-179.2	-63.3	-59.6	-175	178.3	-1.9	113	C271 N273	R259-C271 PolarHBondContact N-O 3.01Å; R259-N273 WeakPolarHBondContact CG-OD1 3.13Å; R259-N273 PolarHBondContact NE-ND2 2.79Å; R259-N273 PolarHBondContact NH2-ND2 2.97Å
260	Q	96.6	Very high	96.2	Very high	109 Å²	109	79.9 Å²	79.9	51%	0.509	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	143.6	-174.5	-160.9	-180	2.5	0	0	110.9	I262 C271	Q260-I262 HydrophobicContact CG-CD1 4.27Å; Q260-I262 HydrophobicContact CG-CG1 3.81Å; Q260-C271 HydrophobicContact CB-CB 4.12Å; Q260-C271 PolarHBondContact O-N 3.1Å
261	I	97.1	Very high	96.1	Very high	84 Å²	84	81 Å²	81	43%	0.431	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.7	171.7	-53.6	168.6	0	0	0	106.1	L7 V258 W268 K269	L7-I261 HydrophobicContact CD1-CD1 3.31Å; L7-I261 HydrophobicContact CD1-CG1 4.01Å; V258-I261 HydrophobicContact CG1-CG1 4.17Å; I261-W268 HydrophobicContact CG2-CB 4.49Å; I261-W268 HydrophobicContact CG2-CD2 4.16Å; I261-W268 HydrophobicContact CG2-CE3 3.46Å; I261-W268 VanDerWaalsContact CG2-CE3 3.46Å; I261-W268 HydrophobicContact CG2-CZ3 3.97Å; I261-K269 WeakPolarHBondContact CA-O 3.4Å
262	I	97.5	Very high	95.6	Very high	57 Å²	57	81.5 Å²	81.5	29%	0.292	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123	-175.9	-52.4	172.8	0	0	0	108.1	Q260 W268 K269	Q260-I262 HydrophobicContact CG-CD1 4.27Å; Q260-I262 HydrophobicContact CG-CG1 3.81Å; I262-W268 WeakPolarHBondContact O-CA 3.39Å; I262-K269 HydrophobicContact CB-CB 4.34Å; I262-K269 PolarHBondContact N-O 3.23Å; I262-K269 PolarHBondContact O-N 3.05Å
263	P	96.9	Very high	94.8	Very high	87 Å²	87	82.7 Å²	82.7	57%	0.565	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.6	173.5	27.6	-31.9	0	0	0	110	W268	P263-W268 HydrophobicContact CB-CE3 3.96Å; P263-W268 HydrophobicContact CB-CH2 4.13Å; P263-W268 HydrophobicContact CB-CZ3 3.64Å; P263-W268 HydrophobicContact CG-CZ3 4.19Å
264	T	95.9	Very high	93.1	Very high	66 Å²	66	87 Å²	87	41%	0.405	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	171	173.6	70	0	0	0	0	109.7	S266 G267 K269	T264-S266 PolarHBondContact O-N 3.06Å; T264-S266 VanDerWaalsContact O-N 3.16Å; T264-G267 PolarHBondContact N-O 3.12Å; T264-G267 PolarHBondContact O-N 3.26Å; T264-G267 VanDerWaalsContact OG1-C 3.27Å; T264-G267 PolarHBondContact OG1-N 3.15Å; T264-G267 PolarHBondContact OG1-O 3.03Å; T264-K269 HydrophobicContact CG2-CB 4.09Å
265	T	93.6	Very high	91.2	Very high	156 Å²	156	85.5 Å²	85.5	96%	0.957	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.3	179.2	49.6	0	0	0	0	113.7
266	S	91.1	Very high	89	Confident	116 Å²	116	88.8 Å²	88.8	81%	0.811	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	5.8	-175.7	59.4	0	0	0	0	114.2	T264	T264-S266 PolarHBondContact O-N 3.06Å; T264-S266 VanDerWaalsContact O-N 3.16Å
267	G	94.2	Very high	86.7	Confident	30 Å²	30	98.3 Å²	98.3	31%	0.309	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-127.5	180	0	0	0	0	0	113.7	T264	T264-G267 PolarHBondContact N-O 3.12Å; T264-G267 PolarHBondContact O-N 3.26Å; T264-G267 VanDerWaalsContact OG1-C 3.27Å; T264-G267 PolarHBondContact OG1-N 3.15Å; T264-G267 PolarHBondContact OG1-O 3.03Å
268	W	96.3	Very high	84.2	Confident	176 Å²	176	103.4 Å²	103.4	67%	0.667	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.3	-173.4	-62.4	95.4	0	0	0	111	I261 I262 P263	I261-W268 HydrophobicContact CG2-CB 4.49Å; I261-W268 HydrophobicContact CG2-CD2 4.16Å; I261-W268 HydrophobicContact CG2-CE3 3.46Å; I261-W268 VanDerWaalsContact CG2-CE3 3.46Å; I261-W268 HydrophobicContact CG2-CZ3 3.97Å; I262-W268 WeakPolarHBondContact O-CA 3.39Å; P263-W268 HydrophobicContact CB-CE3 3.96Å; P263-W268 HydrophobicContact CB-CH2 4.13Å; P263-W268 HydrophobicContact CB-CZ3 3.64Å; P263-W268 HydrophobicContact CG-CZ3 4.19Å
269	K	95.6	Very high	81.4	Confident	127 Å²	127	114.1 Å²	114.1	55%	0.552	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.9	122	165.3	-179.2	179.4	179.1	-179.3	0	108.6	I261 I262 T264	I261-K269 WeakPolarHBondContact CA-O 3.4Å; I262-K269 HydrophobicContact CB-CB 4.34Å; I262-K269 PolarHBondContact N-O 3.23Å; I262-K269 PolarHBondContact O-N 3.05Å; T264-K269 HydrophobicContact CG2-CB 4.09Å
270	V	96.3	Very high	80.6	Confident	47 Å²	47	111.1 Å²	111.1	29%	0.285	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109	114.8	179.5	-175.5	0	0	0	0	109	A5 L7 L32 V258	A5-V270 HydrophobicContact CB-CG2 4.29Å; L7-V270 HydrophobicContact CD2-CG1 3.98Å; L32-V270 HydrophobicContact CD1-CG1 3.69Å; V258-V270 HydrophobicContact CB-CG1 4.48Å; V258-V270 HydrophobicContact CG1-CG1 3.7Å; V258-V270 HydrophobicContact CG2-CG1 3.95Å
271	C	94.1	Very high	79.8	Confident	38 Å²	38	111.2 Å²	111.2	26%	0.257	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	124.1	-179.7	-59.5	0	0	0	0	109.9	R259 Q260	R259-C271 PolarHBondContact N-O 3.01Å; Q260-C271 HydrophobicContact CB-CB 4.12Å; Q260-C271 PolarHBondContact O-N 3.1Å
272	K	88.3	Confident	78.8	Confident	85 Å²	85	112.7 Å²	112.7	37%	0.37	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.2	154.3	176.7	64.4	174.3	-180	175.7	0	111.4	L32 H253 A256 A257	L32-K272 HydrophobicContact CD2-CD 4.17Å; H253-K272 PolarHBondContact ND1-NZ 2.94Å; A256-K272 HydrophobicContact CB-CD 3.95Å; A257-K272 VanDerWaalsContact O-CA 3.31Å; A257-K272 WeakPolarHBondContact O-CA 3.49Å
273	N	80.1	Confident	77.7	Confident	66 Å²	66	115.9 Å²	115.9	35%	0.353	61%	0.612	S	S	.	*			trans	-65.9	136.1	165.2	-78.9	6.9	0	0	0	109.3	A257 R259	A257-N273 PolarHBondContact O-N 3.47Å; R259-N273 WeakPolarHBondContact CG-OD1 3.13Å; R259-N273 PolarHBondContact NE-ND2 2.79Å; R259-N273 PolarHBondContact NH2-ND2 2.97Å
274	I	61.8	Low	76.5	Confident	143 Å²	143	117.8 Å²	117.8	73%	0.733	62%	0.615	S	S	*	*			trans	-94.6	93.7	160.6	-54.2	175.9	0	0	0	104.8	T276	I274-T276 VanDerWaalsContact C-N 3.27Å; I274-T276 HydrophobicContact CG2-CG2 4.03Å; I274-T276 PolarHBondContact O-N 3.4Å
275	M	56.4	Low	75.3	Confident	119 Å²	119	121.2 Å²	121.2	59%	0.586	63%	0.629	S	S	*	*			trans	-74.6	91.8	164.9	-72.3	-162.1	-66.3	0	0	107	D255 R277	D255-M275 HydrophobicContact CB-CE 3.94Å; M275-R277 PolarHBondContact O-N 3.29Å
276	T	50.5	Low	73.9	Confident	116 Å²	116	118.7 Å²	118.7	71%	0.712	61%	0.605	S	S	*	*			trans	-61.4	114.1	162.1	46.3	0	0	0	0	106.6	I274	I274-T276 VanDerWaalsContact C-N 3.27Å; I274-T276 HydrophobicContact CG2-CG2 4.03Å; I274-T276 PolarHBondContact O-N 3.4Å
277	R	48.2	Very low	72.6	Confident	205 Å²	205	118.9 Å²	118.9	77%	0.774	59%	0.59	S	S	*	*			trans	-57.5	131	168.1	-73.5	-177.4	179.9	-176.9	-0.9	107.2	M275	M275-R277 PolarHBondContact O-N 3.29Å
278	P	44	Very low	70.8	Confident	125 Å²	125	126.3 Å²	126.3	81%	0.812	61%	0.613	S	S	*	*			trans	-60.8	138.3	165.6	-8.3	23.3	0	0	0	107.9
279	E	38.4	Very low	68.5	Low	269 Å²	269	121.8 Å²	121.8	100%	1.257	61%	0.608	S	S	*	*			trans	-58	0	172.8	-65.8	-178.9	164.9	0	0	112.4

Retrieved 279 of 279 residues in 107.6 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).