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Moesin/ezrin/radixin homolog 2

Regulator of the Hippo/SWH (Sav/Wts/Hpo) signaling pathway, a signaling pathway that plays a pivotal role in organ size control and tumor suppression by restricting proliferation and promoting apoptosis. The core of this pathway is composed of a kinase cascade wherein Hippo (Hpo), in complex with its regulatory protein Salvador (Sav), phosphorylates and activates Warts (Wts) in complex with its regulatory protein Mats, which in turn phosphorylates and inactivates the Yorkie (Yki) oncoprotein. Mer acts synergistically along with Ex and Kibra to regulate the Hippo signaling pathway.

AlphaFold DB , UniProt , Accession Q24564, Species DROME (Drosophila melanogaster, Fruit fly), Gene Mer, Length 635 aa.

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(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	43.7	Very low	52	Low	241 Å²	241	152 Å²	152	100%	1.187	81%	0.809	S	S	*	*				0	135.9	0	-68.3	178.6	172.8	0	0	107.6
2	S	42.8	Very low	55.1	Low	124 Å²	124	141.3 Å²	141.3	87%	0.867	75%	0.752	S	S	*	*			trans	-114.8	111.7	-164.9	-53.8	0	0	0	0	112
3	P	48.3	Very low	58	Low	107 Å²	107	133.9 Å²	133.9	70%	0.695	72%	0.719	S	S	*	*			trans	-109.3	59.6	-170.4	40.6	-33.7	0	0	0	113.8
4	F	49.6	Very low	60.6	Low	204 Å²	204	124.6 Å²	124.6	90%	0.895	67%	0.669	S	S	*	*			trans	-131.2	85.6	175	-72.3	-70.1	0	0	0	112.2
5	G	41.7	Very low	63	Low	77 Å²	77	120.9 Å²	120.9	79%	0.794	64%	0.641	S	S	*	*			trans	-73.3	134.1	170.3	0	0	0	0	0	111.7	K7	G5-K7 PolarHBondContact O-N 3.25Å
6	S	40.2	Very low	65.1	Low	115 Å²	115	113.3 Å²	113.3	80%	0.804	60%	0.601	S	S	*	*			trans	-70.9	116.6	-177.5	46.2	0	0	0	0	112.1	K8	S6-K8 PolarHBondContact O-N 2.78Å
7	K	45.2	Very low	67	Low	197 Å²	197	107.8 Å²	107.8	86%	0.857	57%	0.574	S	S	*	*			trans	-67.7	105	171.3	-74.6	-179	178.3	174.4	0	109.5	G5 N9	G5-K7 PolarHBondContact O-N 3.25Å; K7-N9 PolarHBondContact O-N 3.08Å
8	K	49.2	Very low	68.5	Low	196 Å²	196	102.6 Å²	102.6	85%	0.852	55%	0.547	S	S	*	.			trans	-64.2	93.4	165.9	-73.9	-173.6	175.6	-177	0	109.5	S6 R10	S6-K8 PolarHBondContact O-N 2.78Å; K8-R10 PolarHBondContact O-N 3.1Å
9	N	53.5	Low	69.7	Low	131 Å²	131	100.9 Å²	100.9	70%	0.701	54%	0.535	S	S	*	.			trans	-60.3	105.3	164.7	-95.9	3.5	0	0	0	108.1	K7 S11	K7-N9 PolarHBondContact O-N 3.08Å; N9-S11 PolarHBondContact O-N 2.82Å
10	R	72	Confident	70.9	Confident	220 Å²	220	100.2 Å²	100.2	83%	0.83	53%	0.531	S	S	*	.			trans	-73.4	113.3	169.7	-62.2	-177.4	-177.6	-171.3	0.2	107.5	K8 P29	K8-R10 PolarHBondContact O-N 3.1Å; R10-P29 WeakPolarHBondContact O-CG 3.37Å
11	S	85.8	Confident	72	Confident	60 Å²	60	97.2 Å²	97.2	42%	0.42	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-68.5	158	169.6	54.8	0	0	0	0	111.1	N9 L27	N9-S11 PolarHBondContact O-N 2.82Å; S11-L27 CarbonylContact C-O 3.51Å; S11-L27 WeakPolarHBondContact CA-O 3.48Å; S11-L27 WeakPolarHBondContact CB-O 3.11Å
12	L	88.9	Confident	74.5	Confident	24 Å²	24	91.2 Å²	91.2	13%	0.126	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.4	167.1	-50.8	177.8	0	0	0	108.1	K26 L27 R73 Y86	L12-K26 CarbonylContact O-C 3.58Å; L12-K26 WeakPolarHBondContact O-CA 3.29Å; L12-L27 HydrophobicContact CB-CB 4.35Å; L12-L27 PolarHBondContact N-O 3.47Å; L12-L27 PolarHBondContact O-N 2.7Å; L12-R73 HydrophobicContact CD1-CB 4.03Å; L12-R73 HydrophobicContact CD1-CG 4.05Å; L12-Y86 HydrophobicContact CB-CD2 4.35Å; L12-Y86 HydrophobicContact CB-CE2 4.03Å; L12-Y86 HydrophobicContact CD1-CE2 4.42Å; L12-Y86 HydrophobicContact CD2-CE2 4.1Å; L12-Y86 HydrophobicContact CG-CE2 4.4Å
13	S	93.1	Very high	77	Confident	45 Å²	45	86.7 Å²	86.7	32%	0.315	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.5	172.6	-61.1	0	0	0	0	109.8	Y86	S13-Y86 PolarHBondContact O-N 3.43Å
14	V	94.7	Very high	79.2	Confident	3 Å²	3	87.5 Å²	87.5	2%	0.018	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140	-175.4	-179.1	0	0	0	0	109.5	V16 E24 F25 L27 L36 Y86 F88	V14-V16 HydrophobicContact CG1-CG2 4.1Å; V14-E24 CarbonylContact O-C 3.54Å; V14-E24 WeakPolarHBondContact O-CA 3.28Å; V14-F25 PolarHBondContact N-O 3.28Å; V14-F25 PolarHBondContact O-N 3.1Å; V14-L27 HydrophobicContact CG2-CD1 3.7Å; V14-L27 HydrophobicContact CG2-CG 3.86Å; V14-L36 HydrophobicContact CG1-CD1 3.89Å; V14-L36 HydrophobicContact CG1-CD2 3.92Å; V14-Y86 CarbonylContact C-O 3.53Å; V14-Y86 WeakPolarHBondContact CA-O 3.47Å; V14-Y86 HydrophobicContact CG2-CD2 4.4Å; V14-F88 HydrophobicContact CG1-CD2 3.59Å; V14-F88 HydrophobicContact CG1-CE2 3.65Å
15	R	96	Very high	81.4	Confident	69 Å²	69	79 Å²	79	26%	0.26	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.4	165.1	-174.4	-179.7	-61.6	-177.9	2.6	109.5	E22 L23 E24 V85 Y86 V87 F88	R15-E22 WeakPolarHBondContact CD-OE2 3.13Å; R15-E22 IonicContact CZ-OE2 3.22Å; R15-E22 IonicContact NE-OE2 2.83Å; R15-E22 IonicContact NH1-OE1 3.33Å; R15-E22 IonicContact NH1-OE2 2.85Å; R15-E22 PolarHBondContact NH1-OE2 3.01Å; R15-L23 CarbonylContact C-O 3.58Å; R15-L23 WeakPolarHBondContact CA-O 3.22Å; R15-E24 HydrophobicContact CB-CG 4.37Å; R15-E24 HydrophobicContact CG-CG 4.21Å; R15-E24 IonicContact CZ-OE1 3.85Å; R15-E24 IonicContact NE-OE1 2.81Å; R15-E24 PolarHBondContact NE-OE1 2.85Å; R15-E24 IonicContact NH2-OE1 3.34Å; R15-E24 PolarHBondContact NH2-OE1 2.7Å; R15-V85 HydrophobicContact CB-CG1 3.85Å; R15-Y86 PolarHBondContact N-O 3.08Å; R15-V87 WeakPolarHBondContact O-CA 3.36Å; R15-F88 PolarHBondContact O-N 3.47Å
16	V	97.2	Very high	83.8	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.4	172.8	-176.5	0	0	0	0	108.4	V14 L23 F25 L36 V40 L54 F88 F90	V14-V16 HydrophobicContact CG1-CG2 4.1Å; V16-L23 PolarHBondContact N-O 3.33Å; V16-L23 PolarHBondContact O-N 3.05Å; V16-F25 HydrophobicContact CB-CE2 4.47Å; V16-F25 HydrophobicContact CG2-CD2 4.24Å; V16-F25 HydrophobicContact CG2-CE2 4.2Å; V16-L36 HydrophobicContact CG2-CD1 4.06Å; V16-V40 HydrophobicContact CB-CG2 4.08Å; V16-V40 HydrophobicContact CG1-CG1 4.33Å; V16-V40 HydrophobicContact CG1-CG2 3.91Å; V16-V40 HydrophobicContact CG2-CG2 3.77Å; V16-L54 HydrophobicContact CB-CD2 4.45Å; V16-L54 HydrophobicContact CG1-CD2 3.46Å; V16-L54 VanDerWaalsContact CG1-CD2 3.46Å; V16-L54 HydrophobicContact CG2-CD2 4.13Å; V16-F88 CarbonylContact C-O 3.55Å; V16-F88 VanDerWaalsContact CA-O 3.31Å; V16-F88 WeakPolarHBondContact CA-O 3.43Å; V16-F88 HydrophobicContact CG2-CB 4.32Å; V16-F88 HydrophobicContact CG2-CD2 4.47Å; V16-F90 HydrophobicContact CG1-CB 3.75Å
17	S	96.9	Very high	86.4	Confident	20 Å²	20	78.4 Å²	78.4	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.2	177.9	-46.5	0	0	0	0	109.9	S21 E22 F88 S89 F90	S17-S21 WeakPolarHBondContact CA-O 3.44Å; S17-E22 PolarHBondContact OG-OE1 2.96Å; S17-F88 PolarHBondContact N-O 2.87Å; S17-S89 CarbonylContact O-C 3.51Å; S17-S89 WeakPolarHBondContact O-CA 3.46Å; S17-F90 PolarHBondContact O-N 3.15Å
18	T	94.3	Very high	88.6	Confident	14 Å²	14	75.3 Å²	75.3	9%	0.086	36%	0.36	C	S	.	.			trans	-90.5	-163.7	162.9	60.4	0	0	0	0	108.5	D20 S21 F90 L111	T18-D20 VanDerWaalsContact C-N 3.34Å; T18-D20 VanDerWaalsContact CB-OD1 3.27Å; T18-D20 WeakPolarHBondContact CB-OD1 3.39Å; T18-D20 PolarHBondContact OG1-N 3.02Å; T18-D20 PolarHBondContact OG1-OD1 2.76Å; T18-S21 PolarHBondContact N-O 3.42Å; T18-S21 PolarHBondContact OG1-N 2.89Å; T18-S21 PolarHBondContact OG1-O 2.93Å; T18-S21 PolarHBondContact OG1-OG 3.36Å; T18-F90 HydrophobicContact CG2-CB 4.17Å; T18-F90 HydrophobicContact CG2-CD1 4.16Å; T18-L111 HydrophobicContact CG2-CD2 4.19Å
19	F	92.2	Very high	90.5	Very high	71 Å²	71	67.9 Å²	67.9	31%	0.311	33%	0.332	S	S	.	.	S	Bend	trans	-81.9	-13.6	170.7	-76.4	-75.9	0	0	0	113.5	Y91 L114 Q115 Q118	F19-Y91 HydrophobicContact CD1-CE1 4.49Å; F19-Y91 HydrophobicContact CD2-CD1 4.01Å; F19-Y91 AromaticContact CD2-CE1 3.82Å; F19-Y91 HydrophobicContact CD2-CE1 3.82Å; F19-Y91 AromaticContact CE1-CE1 4Å; F19-Y91 HydrophobicContact CE1-CE1 4Å; F19-Y91 AromaticContact CE2-CD1 3.31Å; F19-Y91 HydrophobicContact CE2-CD1 3.31Å; F19-Y91 AromaticContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CG 4.37Å; F19-Y91 HydrophobicContact CG-CE1 4.41Å; F19-Y91 AromaticContact CZ-CD1 3.81Å; F19-Y91 HydrophobicContact CZ-CD1 3.81Å; F19-Y91 AromaticContact CZ-CE1 3.32Å; F19-Y91 HydrophobicContact CZ-CE1 3.32Å; F19-Y91 AromaticContact CZ-CZ 3.85Å; F19-L114 HydrophobicContact CB-CB 3.63Å; F19-L114 HydrophobicContact CB-CD1 3.68Å; F19-L114 HydrophobicContact CB-CG 4.23Å; F19-L114 HydrophobicContact CD2-CB 4.2Å; F19-L114 HydrophobicContact CG-CB 4.04Å; F19-Q115 HydrophobicContact CD2-CB 4.05Å; F19-Q115 VanDerWaalsContact CE2-CA 3.47Å; F19-Q115 HydrophobicContact CE2-CB 3.44Å; F19-Q115 VanDerWaalsContact CE2-CB 3.44Å; F19-Q115 HydrophobicContact CE2-CG 3.65Å; F19-Q115 HydrophobicContact CZ-CB 4.16Å; F19-Q115 HydrophobicContact CZ-CG 4.04Å; F19-Q118 HydrophobicContact CD1-CB 4.37Å; F19-Q118 HydrophobicContact CE1-CB 3.82Å; F19-Q118 HydrophobicContact CE1-CG 3.93Å; F19-Q118 HydrophobicContact CZ-CB 4.34Å
20	D	91.9	Very high	92.3	Very high	86 Å²	86	70.8 Å²	70.8	46%	0.46	33%	0.333	S	S	.	.	S	Bend	trans	-127.7	-10.8	-171.4	59.7	-33.5	0	0	0	114.4	T18 H110 L114	T18-D20 VanDerWaalsContact C-N 3.34Å; T18-D20 VanDerWaalsContact CB-OD1 3.27Å; T18-D20 WeakPolarHBondContact CB-OD1 3.39Å; T18-D20 PolarHBondContact OG1-N 3.02Å; T18-D20 PolarHBondContact OG1-OD1 2.76Å; D20-H110 IonicContact OD2-CD2 2.74Å; D20-L114 HydrophobicContact CB-CD1 3.71Å
21	S	94.3	Very high	93.4	Very high	38 Å²	38	60.7 Å²	60.7	27%	0.266	30%	0.297	S	S	.	.			trans	-147.7	154.6	-175.6	77.1	0	0	0	0	113.4	S17 T18	S17-S21 WeakPolarHBondContact CA-O 3.44Å; T18-S21 PolarHBondContact N-O 3.42Å; T18-S21 PolarHBondContact OG1-N 2.89Å; T18-S21 PolarHBondContact OG1-O 2.93Å; T18-S21 PolarHBondContact OG1-OG 3.36Å
22	E	95.9	Very high	94	Very high	115 Å²	115	59 Å²	59	54%	0.537	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.2	163	-61	-148.7	125.1	0	0	109.9	R15 S17	R15-E22 WeakPolarHBondContact CD-OE2 3.13Å; R15-E22 IonicContact CZ-OE2 3.22Å; R15-E22 IonicContact NE-OE2 2.83Å; R15-E22 IonicContact NH1-OE1 3.33Å; R15-E22 IonicContact NH1-OE2 2.85Å; R15-E22 PolarHBondContact NH1-OE2 3.01Å; S17-E22 PolarHBondContact OG-OE1 2.96Å
23	L	95.7	Very high	94.4	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.5	-178.6	-53.4	176.1	0	0	0	109.6	R15 V16 F25 V40 T43 I44	R15-L23 CarbonylContact C-O 3.58Å; R15-L23 WeakPolarHBondContact CA-O 3.22Å; V16-L23 PolarHBondContact N-O 3.33Å; V16-L23 PolarHBondContact O-N 3.05Å; L23-F25 HydrophobicContact CB-CD2 4.44Å; L23-F25 HydrophobicContact CB-CE2 3.55Å; L23-F25 HydrophobicContact CB-CZ 3.67Å; L23-F25 HydrophobicContact CD1-CE2 4.29Å; L23-F25 HydrophobicContact CD1-CZ 4.06Å; L23-F25 HydrophobicContact CG-CZ 4.44Å; L23-V40 HydrophobicContact CD1-CG1 4.25Å; L23-T43 HydrophobicContact CD1-CG2 4.26Å; L23-T43 HydrophobicContact CD2-CG2 4.04Å; L23-I44 HydrophobicContact CD1-CG2 3.85Å
24	E	95.5	Very high	94.6	Very high	125 Å²	125	59 Å²	59	58%	0.584	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	129	176.6	-65.7	-155.5	151.2	0	0	112.5	V14 R15	V14-E24 CarbonylContact O-C 3.54Å; V14-E24 WeakPolarHBondContact O-CA 3.28Å; R15-E24 HydrophobicContact CB-CG 4.37Å; R15-E24 HydrophobicContact CG-CG 4.21Å; R15-E24 IonicContact CZ-OE1 3.85Å; R15-E24 IonicContact NE-OE1 2.81Å; R15-E24 PolarHBondContact NE-OE1 2.85Å; R15-E24 IonicContact NH2-OE1 3.34Å; R15-E24 PolarHBondContact NH2-OE1 2.7Å
25	F	94.5	Very high	94.7	Very high	26 Å²	26	62.8 Å²	62.8	11%	0.114	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.4	-175.4	-57.2	-67.5	0	0	0	112.3	V14 V16 L23 L36 L39 V40 T43	V14-F25 PolarHBondContact N-O 3.28Å; V14-F25 PolarHBondContact O-N 3.1Å; V16-F25 HydrophobicContact CB-CE2 4.47Å; V16-F25 HydrophobicContact CG2-CD2 4.24Å; V16-F25 HydrophobicContact CG2-CE2 4.2Å; L23-F25 HydrophobicContact CB-CD2 4.44Å; L23-F25 HydrophobicContact CB-CE2 3.55Å; L23-F25 HydrophobicContact CB-CZ 3.67Å; L23-F25 HydrophobicContact CD1-CE2 4.29Å; L23-F25 HydrophobicContact CD1-CZ 4.06Å; L23-F25 HydrophobicContact CG-CZ 4.44Å; F25-L36 HydrophobicContact CD2-CD1 4.1Å; F25-L39 HydrophobicContact CB-CD2 3.97Å; F25-L39 HydrophobicContact CD1-CD1 4.44Å; F25-L39 HydrophobicContact CD1-CD2 3.46Å; F25-L39 VanDerWaalsContact CD1-CD2 3.46Å; F25-L39 HydrophobicContact CD1-CG 3.76Å; F25-L39 HydrophobicContact CD2-CD2 4.43Å; F25-L39 HydrophobicContact CE1-CD1 4.3Å; F25-L39 HydrophobicContact CE1-CD2 3.99Å; F25-L39 HydrophobicContact CE1-CG 3.72Å; F25-L39 HydrophobicContact CG-CD2 3.7Å; F25-L39 HydrophobicContact CG-CG 4.27Å; F25-L39 HydrophobicContact CZ-CG 4.21Å; F25-V40 HydrophobicContact CE2-CG2 3.78Å; F25-V40 HydrophobicContact CZ-CG2 4.39Å; F25-T43 HydrophobicContact CE1-CG2 4.47Å; F25-T43 HydrophobicContact CZ-CG2 4.33Å
26	K	93.9	Very high	94.8	Very high	166 Å²	166	59.5 Å²	59.5	72%	0.722	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	100.1	171.6	-72.7	173	-176.6	164.7	0	109.2	L12	L12-K26 CarbonylContact O-C 3.58Å; L12-K26 WeakPolarHBondContact O-CA 3.29Å
27	L	92.9	Very high	94.8	Very high	13 Å²	13	60 Å²	60	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	158.8	-179.7	-55.9	-177.7	0	0	0	112.1	S11 L12 V14 A31 L36 L39 V72	S11-L27 CarbonylContact C-O 3.51Å; S11-L27 WeakPolarHBondContact CA-O 3.48Å; S11-L27 WeakPolarHBondContact CB-O 3.11Å; L12-L27 HydrophobicContact CB-CB 4.35Å; L12-L27 PolarHBondContact N-O 3.47Å; L12-L27 PolarHBondContact O-N 2.7Å; V14-L27 HydrophobicContact CG2-CD1 3.7Å; V14-L27 HydrophobicContact CG2-CG 3.86Å; L27-A31 HydrophobicContact CB-CB 3.95Å; L27-A31 HydrophobicContact CD1-CB 4.04Å; L27-A31 HydrophobicContact CG-CB 4.47Å; L27-L36 HydrophobicContact CD1-CB 3.92Å; L27-L36 HydrophobicContact CD1-CD1 4.12Å; L27-L36 HydrophobicContact CD1-CD2 4.29Å; L27-L36 HydrophobicContact CD1-CG 4.31Å; L27-L36 HydrophobicContact CD2-CD1 4.22Å; L27-L39 HydrophobicContact CD2-CD2 3.95Å; L27-V72 HydrophobicContact CD1-CG2 4.01Å
28	E	92.3	Very high	94.8	Very high	131 Å²	131	60.4 Å²	60.4	61%	0.612	29%	0.29	S	S	*	.			trans	-70.5	150.1	165.1	-65.7	-153	160.2	0	0	112.1	R30 A31	E28-R30 PolarHBondContact O-N 3.06Å; E28-A31 WeakPolarHBondContact O-CB 3.1Å; E28-A31 PolarHBondContact O-N 3.43Å
29	P	88.7	Confident	94.9	Very high	40 Å²	40	62 Å²	62	26%	0.26	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-1.6	172.5	-31.3	39.8	0	0	0	117.3	R10 R73	R10-P29 WeakPolarHBondContact O-CG 3.37Å; P29-R73 WeakPolarHBondContact O-CD 3.34Å; P29-R73 PolarHBondContact O-NH1 3.17Å
30	R	92.5	Very high	95.2	Very high	192 Å²	192	58.7 Å²	58.7	73%	0.725	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-7.5	-179.7	-72.1	-177.9	171.9	-172.3	-3.5	113.5	E28 S32 R71	E28-R30 PolarHBondContact O-N 3.06Å; R30-S32 PolarHBondContact O-N 2.87Å; R30-R71 WeakPolarHBondContact O-CD 3.29Å; R30-R71 WeakPolarHBondContact O-CG 3.42Å; R30-R71 PolarHBondContact O-NE 2.9Å
31	A	95.1	Very high	95.5	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	26%	0.263	C	S	.	.			trans	-55.1	130.8	-176.1	0	0	0	0	0	112.5	L27 E28 D35 R71 V72	L27-A31 HydrophobicContact CB-CB 3.95Å; L27-A31 HydrophobicContact CD1-CB 4.04Å; L27-A31 HydrophobicContact CG-CB 4.47Å; E28-A31 WeakPolarHBondContact O-CB 3.1Å; E28-A31 PolarHBondContact O-N 3.43Å; A31-D35 WeakPolarHBondContact CA-OD2 3.48Å; A31-D35 HydrophobicContact CB-CB 4.05Å; A31-R71 WeakPolarHBondContact O-CA 3.48Å; A31-R71 WeakPolarHBondContact O-CB 3.5Å; A31-V72 PolarHBondContact O-N 3.39Å
32	S	96.9	Very high	95.6	Very high	25 Å²	25	59.1 Å²	59.1	18%	0.175	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-72.7	170.2	169.3	68.3	0	0	0	0	111.5	R30 Q34 D35 M68 K70 V72	R30-S32 PolarHBondContact O-N 2.87Å; S32-Q34 PolarHBondContact OG-N 2.79Å; S32-D35 VanDerWaalsContact CB-OD2 3.31Å; S32-D35 WeakPolarHBondContact CB-OD2 3.42Å; S32-D35 PolarHBondContact N-OD2 3.35Å; S32-D35 PolarHBondContact O-N 3.46Å; S32-D35 PolarHBondContact OG-N 3.24Å; S32-D35 PolarHBondContact OG-OD2 3.36Å; S32-M68 WeakPolarHBondContact CB-O 3.35Å; S32-K70 CarbonylContact C-O 3.59Å; S32-K70 WeakPolarHBondContact CA-O 3.42Å; S32-V72 WeakPolarHBondContact O-CG2 3.28Å
33	G	96.9	Very high	95.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-35.6	168.2	0	0	0	0	0	111.8	L36 F37 M68 K70	G33-L36 PolarHBondContact O-N 2.98Å; G33-F37 WeakPolarHBondContact O-CB 3.19Å; G33-F37 PolarHBondContact O-N 3.46Å; G33-M68 PolarHBondContact N-O 2.96Å; G33-M68 VanDerWaalsContact N-O 3.13Å; G33-K70 PolarHBondContact N-O 2.95Å
34	Q	97.4	Very high	95.6	Very high	68 Å²	68	57.5 Å²	57.5	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.3	-164.7	68.6	46.3	0	0	111.9	S32 L36 F37 D38 M68	S32-Q34 PolarHBondContact OG-N 2.79Å; Q34-L36 VanDerWaalsContact C-N 3.26Å; Q34-L36 PolarHBondContact O-N 2.81Å; Q34-F37 PolarHBondContact O-N 3.47Å; Q34-F37 VanDerWaalsContact O-N 3.14Å; Q34-D38 PolarHBondContact NE2-OD1 3.35Å; Q34-D38 WeakPolarHBondContact O-CB 3.49Å; Q34-D38 PolarHBondContact O-N 3.06Å; Q34-M68 HydrophobicContact CB-CB 4.16Å; Q34-M68 PolarHBondContact N-O 3.06Å
35	D	97.3	Very high	95.6	Very high	84 Å²	84	53.5 Å²	53.5	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-38.1	-179.7	-67.3	-63.9	0	0	0	112.4	A31 S32 L39	A31-D35 WeakPolarHBondContact CA-OD2 3.48Å; A31-D35 HydrophobicContact CB-CB 4.05Å; S32-D35 VanDerWaalsContact CB-OD2 3.31Å; S32-D35 WeakPolarHBondContact CB-OD2 3.42Å; S32-D35 PolarHBondContact N-OD2 3.35Å; S32-D35 PolarHBondContact O-N 3.46Å; S32-D35 PolarHBondContact OG-N 3.24Å; S32-D35 PolarHBondContact OG-OD2 3.36Å; D35-L39 WeakPolarHBondContact O-CB 3.43Å; D35-L39 PolarHBondContact O-N 2.66Å
36	L	97.4	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-73.9	-44.8	175.1	175.4	57.6	0	0	0	111.4	V14 V16 F25 L27 G33 Q34 L39 V40 L54 L66 V72 F88	V14-L36 HydrophobicContact CG1-CD1 3.89Å; V14-L36 HydrophobicContact CG1-CD2 3.92Å; V16-L36 HydrophobicContact CG2-CD1 4.06Å; F25-L36 HydrophobicContact CD2-CD1 4.1Å; L27-L36 HydrophobicContact CD1-CB 3.92Å; L27-L36 HydrophobicContact CD1-CD1 4.12Å; L27-L36 HydrophobicContact CD1-CD2 4.29Å; L27-L36 HydrophobicContact CD1-CG 4.31Å; L27-L36 HydrophobicContact CD2-CD1 4.22Å; G33-L36 PolarHBondContact O-N 2.98Å; Q34-L36 VanDerWaalsContact C-N 3.26Å; Q34-L36 PolarHBondContact O-N 2.81Å; L36-L39 WeakPolarHBondContact O-CB 3.38Å; L36-L39 PolarHBondContact O-N 3.08Å; L36-V40 HydrophobicContact CD1-CG2 4.33Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 3.29Å; L36-L54 HydrophobicContact CB-CD1 4.42Å; L36-L54 HydrophobicContact CD2-CD1 3.88Å; L36-L54 HydrophobicContact CG-CD1 3.73Å; L36-L66 HydrophobicContact CD2-CD2 4.12Å; L36-V72 HydrophobicContact CB-CG2 4.33Å; L36-V72 HydrophobicContact CD2-CG2 4.27Å; L36-F88 HydrophobicContact CD2-CD2 3.82Å; L36-F88 HydrophobicContact CD2-CE2 3.7Å; L36-F88 HydrophobicContact CD2-CG 4.45Å; L36-F88 HydrophobicContact CD2-CZ 4.27Å
37	F	98	Very high	95.9	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-46.3	-179.2	-172.2	-111.5	0	0	0	112	G33 Q34 L39 V40 C41 S49 F52 L54 M68 F90	G33-F37 WeakPolarHBondContact O-CB 3.19Å; G33-F37 PolarHBondContact O-N 3.46Å; Q34-F37 PolarHBondContact O-N 3.47Å; Q34-F37 VanDerWaalsContact O-N 3.14Å; F37-L39 PolarHBondContact O-N 3.31Å; F37-V40 PolarHBondContact O-N 2.96Å; F37-C41 WeakPolarHBondContact O-CB 3.47Å; F37-C41 PolarHBondContact O-N 2.78Å; F37-C41 PolarHBondContact O-SG 3.35Å; F37-S49 WeakPolarHBondContact CZ-O 3.35Å; F37-F52 HydrophobicContact CE2-CB 4.09Å; F37-F52 HydrophobicContact CZ-CB 4.08Å; F37-F52 WeakPolarHBondContact CZ-O 3.33Å; F37-L54 HydrophobicContact CB-CD1 4.16Å; F37-L54 HydrophobicContact CD2-CD1 4.1Å; F37-L54 HydrophobicContact CD2-CG 4.15Å; F37-M68 HydrophobicContact CB-CE 4.01Å; F37-M68 HydrophobicContact CB-SD 3.92Å; F37-M68 HydrophobicContact CD1-CE 3.79Å; F37-M68 HydrophobicContact CD1-SD 4.44Å; F37-M68 HydrophobicContact CD2-CE 3.59Å; F37-M68 HydrophobicContact CE1-CE 4.05Å; F37-M68 HydrophobicContact CE2-CE 3.87Å; F37-M68 HydrophobicContact CG-CE 3.53Å; F37-M68 HydrophobicContact CG-SD 4.1Å; F37-M68 HydrophobicContact CZ-CE 4.08Å; F37-F90 HydrophobicContact CD2-CD2 4.43Å; F37-F90 AromaticContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CE2-CD2 4.22Å; F37-F90 AromaticContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CZ 4.38Å; F37-F90 HydrophobicContact CZ-CE2 4.36Å
38	D	97.5	Very high	96.1	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-29.5	174.9	-70.8	-11.5	0	0	0	112.1	Q34 R42	Q34-D38 PolarHBondContact NE2-OD1 3.35Å; Q34-D38 WeakPolarHBondContact O-CB 3.49Å; Q34-D38 PolarHBondContact O-N 3.06Å; D38-R42 VanDerWaalsContact O-CB 3.28Å; D38-R42 WeakPolarHBondContact O-CB 3.25Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.3Å; D38-R42 PolarHBondContact O-N 2.91Å; D38-R42 VanDerWaalsContact O-N 3.13Å; D38-R42 PolarHBondContact O-NE 2.85Å
39	L	96.8	Very high	96.3	Very high	48 Å²	48	42.8 Å²	42.8	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-71.7	-41.9	174.5	-176.8	60.5	0	0	0	111.6	F25 L27 D35 L36 F37 T43	F25-L39 HydrophobicContact CB-CD2 3.97Å; F25-L39 HydrophobicContact CD1-CD1 4.44Å; F25-L39 HydrophobicContact CD1-CD2 3.46Å; F25-L39 VanDerWaalsContact CD1-CD2 3.46Å; F25-L39 HydrophobicContact CD1-CG 3.76Å; F25-L39 HydrophobicContact CD2-CD2 4.43Å; F25-L39 HydrophobicContact CE1-CD1 4.3Å; F25-L39 HydrophobicContact CE1-CD2 3.99Å; F25-L39 HydrophobicContact CE1-CG 3.72Å; F25-L39 HydrophobicContact CG-CD2 3.7Å; F25-L39 HydrophobicContact CG-CG 4.27Å; F25-L39 HydrophobicContact CZ-CG 4.21Å; L27-L39 HydrophobicContact CD2-CD2 3.95Å; D35-L39 WeakPolarHBondContact O-CB 3.43Å; D35-L39 PolarHBondContact O-N 2.66Å; L36-L39 WeakPolarHBondContact O-CB 3.38Å; L36-L39 PolarHBondContact O-N 3.08Å; F37-L39 PolarHBondContact O-N 3.31Å; L39-T43 WeakPolarHBondContact O-CB 3.33Å; L39-T43 PolarHBondContact O-N 2.62Å; L39-T43 VanDerWaalsContact O-N 3.09Å; L39-T43 PolarHBondContact O-OG1 3.4Å
40	V	97.5	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-56.9	173.4	174.6	0	0	0	0	110.1	V16 L23 F25 L36 F37 R42 T43 I44 L54 F90	V16-V40 HydrophobicContact CB-CG2 4.08Å; V16-V40 HydrophobicContact CG1-CG1 4.33Å; V16-V40 HydrophobicContact CG1-CG2 3.91Å; V16-V40 HydrophobicContact CG2-CG2 3.77Å; L23-V40 HydrophobicContact CD1-CG1 4.25Å; F25-V40 HydrophobicContact CE2-CG2 3.78Å; F25-V40 HydrophobicContact CZ-CG2 4.39Å; L36-V40 HydrophobicContact CD1-CG2 4.33Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 3.29Å; F37-V40 PolarHBondContact O-N 2.96Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.49Å; V40-T43 WeakPolarHBondContact O-CA 3.21Å; V40-T43 WeakPolarHBondContact O-CB 3.33Å; V40-T43 PolarHBondContact O-N 3.22Å; V40-I44 HydrophobicContact CG1-CD1 4.46Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.5Å; V40-I44 VanDerWaalsContact O-N 3.08Å; V40-L54 HydrophobicContact CG2-CD2 4.46Å; V40-F90 HydrophobicContact CB-CD2 4.38Å; V40-F90 HydrophobicContact CB-CE2 4.47Å; V40-F90 HydrophobicContact CG1-CB 4.46Å; V40-F90 HydrophobicContact CG1-CD2 3.52Å; V40-F90 HydrophobicContact CG1-CE2 3.74Å; V40-F90 HydrophobicContact CG1-CG 3.95Å; V40-F90 HydrophobicContact CG1-CZ 4.37Å
41	C	97.5	Very high	96.9	Very high	3 Å²	3	35 Å²	35	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-55.3	-43.3	-178.3	-68.6	0	0	0	0	112.4	F37 T43 I44 G45 L46	F37-C41 WeakPolarHBondContact O-CB 3.47Å; F37-C41 PolarHBondContact O-N 2.78Å; F37-C41 PolarHBondContact O-SG 3.35Å; C41-T43 PolarHBondContact O-N 3.17Å; C41-I44 PolarHBondContact O-N 3.42Å; C41-G45 PolarHBondContact O-N 2.92Å; C41-L46 WeakPolarHBondContact CB-O 3.38Å; C41-L46 PolarHBondContact O-N 3.49Å
42	R	96.8	Very high	97.1	Very high	131 Å²	131	35.1 Å²	35.1	49%	0.494	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-38	173.1	-82.5	177.5	-67.2	173	-1.4	113.5	D38 V40 H528	D38-R42 VanDerWaalsContact O-CB 3.28Å; D38-R42 WeakPolarHBondContact O-CB 3.25Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.3Å; D38-R42 PolarHBondContact O-N 2.91Å; D38-R42 VanDerWaalsContact O-N 3.13Å; D38-R42 PolarHBondContact O-NE 2.85Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.49Å; R42-H528 VanDerWaalsContact CG-CD2 3.49Å; R42-H528 WeakPolarHBondContact CG-CD2 3.42Å; R42-H528 WeakPolarHBondContact CG-NE2 3.44Å
43	T	96.8	Very high	97.1	Very high	74 Å²	74	34.1 Å²	34.1	45%	0.454	18%	0.175	S	C	.	.	H	α-helix	trans	-70	-35	-177.6	-58.2	0	0	0	0	111.8	L23 F25 L39 V40 C41	L23-T43 HydrophobicContact CD1-CG2 4.26Å; L23-T43 HydrophobicContact CD2-CG2 4.04Å; F25-T43 HydrophobicContact CE1-CG2 4.47Å; F25-T43 HydrophobicContact CZ-CG2 4.33Å; L39-T43 WeakPolarHBondContact O-CB 3.33Å; L39-T43 PolarHBondContact O-N 2.62Å; L39-T43 VanDerWaalsContact O-N 3.09Å; L39-T43 PolarHBondContact O-OG1 3.4Å; V40-T43 WeakPolarHBondContact O-CA 3.21Å; V40-T43 WeakPolarHBondContact O-CB 3.33Å; V40-T43 PolarHBondContact O-N 3.22Å; C41-T43 PolarHBondContact O-N 3.17Å
44	I	95.7	Very high	97.1	Very high	35 Å²	35	34.1 Å²	34.1	18%	0.179	18%	0.175	C	C	.	.	H	α-helix	trans	-93.8	-2.5	177.9	67.4	177.6	0	0	0	114	L23 V40 C41 L46 F90 L111	L23-I44 HydrophobicContact CD1-CG2 3.85Å; V40-I44 HydrophobicContact CG1-CD1 4.46Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.5Å; V40-I44 VanDerWaalsContact O-N 3.08Å; C41-I44 PolarHBondContact O-N 3.42Å; I44-L46 VanDerWaalsContact C-N 3.34Å; I44-L46 HydrophobicContact CD1-CB 3.76Å; I44-L46 HydrophobicContact CD1-CD1 4.14Å; I44-L46 HydrophobicContact CG1-CB 3.67Å; I44-L46 PolarHBondContact O-N 2.98Å; I44-F90 HydrophobicContact CD1-CD1 4.36Å; I44-F90 HydrophobicContact CD1-CE1 3.73Å; I44-F90 HydrophobicContact CD1-CZ 4.01Å; I44-L111 HydrophobicContact CD1-CD1 4.01Å
45	G	95.8	Very high	97.1	Very high	41 Å²	41	33.1 Å²	33.1	42%	0.423	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	18.1	-179.4	0	0	0	0	0	115.5	C41 Q105	C41-G45 PolarHBondContact O-N 2.92Å; G45-Q105 PolarHBondContact O-NE2 2.88Å
46	L	96.6	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.153	C	C	.	.			trans	-91.1	123.8	-174.2	-172.9	146.4	0	0	0	111.7	C41 I44 F52 I107 L111	C41-L46 WeakPolarHBondContact CB-O 3.38Å; C41-L46 PolarHBondContact O-N 3.49Å; I44-L46 VanDerWaalsContact C-N 3.34Å; I44-L46 HydrophobicContact CD1-CB 3.76Å; I44-L46 HydrophobicContact CD1-CD1 4.14Å; I44-L46 HydrophobicContact CG1-CB 3.67Å; I44-L46 PolarHBondContact O-N 2.98Å; L46-F52 HydrophobicContact CD1-CD2 4.11Å; L46-F52 HydrophobicContact CD1-CE2 3.56Å; L46-F52 HydrophobicContact CD1-CZ 3.8Å; L46-F52 HydrophobicContact CD2-CD2 3.82Å; L46-F52 HydrophobicContact CD2-CE2 3.93Å; L46-F52 HydrophobicContact CG-CE2 4.32Å; L46-I107 HydrophobicContact CB-CG2 4.21Å; L46-I107 HydrophobicContact CD1-CG1 4.49Å; L46-I107 HydrophobicContact CD1-CG2 4.48Å; L46-L111 HydrophobicContact CD1-CD1 3.83Å
47	R	96.7	Very high	96.9	Very high	72 Å²	72	33.3 Å²	33.3	27%	0.272	17%	0.172	S	C	.	.			trans	-105.3	-26	179.2	-59.6	172.9	63.6	-176.3	1.1	112.5	S49 E311 M315	R47-S49 PolarHBondContact O-N 2.93Å; R47-E311 IonicContact CZ-OE1 3.21Å; R47-E311 IonicContact NE-OE1 2.71Å; R47-E311 VanDerWaalsContact NH2-CG 3.28Å; R47-E311 IonicContact NH2-OE1 3.36Å; R47-E311 PolarHBondContact NH2-OE1 2.94Å; R47-M315 HydrophobicContact CB-CE 3.72Å; R47-M315 HydrophobicContact CB-SD 4.02Å; R47-M315 VanDerWaalsContact CZ-CG 3.47Å
48	E	97.4	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.			trans	-75.2	43.7	176.6	-59.2	175.4	86.2	0	0	112.6	W50 Y51 I104 Q105 T108 M315	E48-W50 HydrophobicContact CB-CH2 4.19Å; E48-W50 HydrophobicContact CB-CZ2 3.86Å; E48-W50 HydrophobicContact CG-CH2 3.97Å; E48-W50 HydrophobicContact CG-CZ2 3.78Å; E48-W50 PolarHBondContact O-N 2.61Å; E48-W50 VanDerWaalsContact O-N 3.07Å; E48-Y51 HydrophobicContact CB-CD2 4.14Å; E48-Y51 HydrophobicContact CB-CE2 4.12Å; E48-Y51 WeakPolarHBondContact O-CD2 3.47Å; E48-Y51 PolarHBondContact O-N 3.47Å; E48-I104 PolarHBondContact OE1-N 2.91Å; E48-I104 PolarHBondContact OE2-N 3.5Å; E48-Q105 WeakPolarHBondContact OE2-CB 3.12Å; E48-Q105 WeakPolarHBondContact OE2-CG 3.35Å; E48-Q105 PolarHBondContact OE2-N 3.47Å; E48-T108 HydrophobicContact CB-CG2 3.94Å; E48-T108 HydrophobicContact CG-CG2 4.47Å; E48-T108 WeakPolarHBondContact OE2-CB 3.42Å; E48-T108 WeakPolarHBondContact OE2-CG2 3.27Å; E48-T108 PolarHBondContact OE2-OG1 3.34Å; E48-M315 HydrophobicContact CG-CE 3.51Å
49	S	96.6	Very high	96.3	Very high	37 Å²	37	36.4 Å²	36.4	26%	0.259	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-64.5	-17.5	-169.1	62.6	0	0	0	0	113.7	F37 R47 Y51 F52	F37-S49 WeakPolarHBondContact CZ-O 3.35Å; R47-S49 PolarHBondContact O-N 2.93Å; S49-Y51 PolarHBondContact O-N 3.37Å; S49-Y51 VanDerWaalsContact O-N 3.17Å; S49-F52 PolarHBondContact O-N 3.04Å
50	W	96.4	Very high	96	Very high	63 Å²	63	42.6 Å²	42.6	24%	0.239	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.5	-14.4	-178.5	54.4	76.1	0	0	0	115.1	E48 L300 I312 M315	E48-W50 HydrophobicContact CB-CH2 4.19Å; E48-W50 HydrophobicContact CB-CZ2 3.86Å; E48-W50 HydrophobicContact CG-CH2 3.97Å; E48-W50 HydrophobicContact CG-CZ2 3.78Å; E48-W50 PolarHBondContact O-N 2.61Å; E48-W50 VanDerWaalsContact O-N 3.07Å; W50-L300 HydrophobicContact CB-CD2 4.16Å; W50-L300 HydrophobicContact CG-CD2 4.2Å; W50-I312 HydrophobicContact CH2-CD1 4.33Å; W50-I312 HydrophobicContact CH2-CG1 4.03Å; W50-M315 HydrophobicContact CH2-CE 4.33Å
51	Y	98.1	Very high	95.6	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.027	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-83	-24.6	171.3	-59.2	-60.6	0	0	0	113.5	E48 S49 A92 K93 F94 E102 L103 T108 F112	E48-Y51 HydrophobicContact CB-CD2 4.14Å; E48-Y51 HydrophobicContact CB-CE2 4.12Å; E48-Y51 WeakPolarHBondContact O-CD2 3.47Å; E48-Y51 PolarHBondContact O-N 3.47Å; S49-Y51 PolarHBondContact O-N 3.37Å; S49-Y51 VanDerWaalsContact O-N 3.17Å; Y51-A92 CarbonylContact O-C 3.53Å; Y51-K93 PolarHBondContact O-N 2.62Å; Y51-F94 PolarHBondContact O-N 3.5Å; Y51-E102 PolarHBondContact OH-O 2.92Å; Y51-L103 HydrophobicContact CD2-CD2 4.34Å; Y51-L103 HydrophobicContact CE2-CD2 3.78Å; Y51-T108 HydrophobicContact CD2-CG2 4.07Å; Y51-T108 HydrophobicContact CE2-CG2 4.32Å; Y51-F112 HydrophobicContact CD1-CE2 4.39Å; Y51-F112 HydrophobicContact CD1-CZ 4.09Å; Y51-F112 AromaticContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CZ 4.3Å; Y51-F112 HydrophobicContact CE2-CE2 4.44Å; Y51-F112 AromaticContact CG-CE2 3.77Å; Y51-F112 HydrophobicContact CG-CE2 3.77Å; Y51-F112 AromaticContact CG-CZ 3.81Å; Y51-F112 HydrophobicContact CG-CZ 3.81Å
52	F	98.3	Very high	95.3	Very high	10 Å²	10	49.3 Å²	49.3	4%	0.044	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	163.8	-161.8	-61	-89.4	0	0	0	113.8	F37 L46 S49 F90 Y91 A92 T108 L111 F112	F37-F52 HydrophobicContact CE2-CB 4.09Å; F37-F52 HydrophobicContact CZ-CB 4.08Å; F37-F52 WeakPolarHBondContact CZ-O 3.33Å; L46-F52 HydrophobicContact CD1-CD2 4.11Å; L46-F52 HydrophobicContact CD1-CE2 3.56Å; L46-F52 HydrophobicContact CD1-CZ 3.8Å; L46-F52 HydrophobicContact CD2-CD2 3.82Å; L46-F52 HydrophobicContact CD2-CE2 3.93Å; L46-F52 HydrophobicContact CG-CE2 4.32Å; S49-F52 PolarHBondContact O-N 3.04Å; F52-F90 HydrophobicContact CB-CE1 3.94Å; F52-F90 HydrophobicContact CB-CE2 3.9Å; F52-F90 HydrophobicContact CB-CZ 3.49Å; F52-F90 VanDerWaalsContact CB-CZ 3.49Å; F52-F90 HydrophobicContact CD1-CD1 4.06Å; F52-F90 AromaticContact CD1-CE1 3.41Å; F52-F90 HydrophobicContact CD1-CE1 3.41Å; F52-F90 VanDerWaalsContact CD1-CE1 3.41Å; F52-F90 AromaticContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD2-CE1 4.44Å; F52-F90 HydrophobicContact CD2-CZ 4.27Å; F52-F90 HydrophobicContact CE1-CE1 4.05Å; F52-F90 AromaticContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE2 4.48Å; F52-F90 AromaticContact CG-CZ 3.61Å; F52-F90 HydrophobicContact CG-CZ 3.61Å; F52-Y91 CarbonylContact C-O 3.46Å; F52-Y91 WeakPolarHBondContact CA-O 3.49Å; F52-A92 HydrophobicContact CD1-CB 4.27Å; F52-A92 HydrophobicContact CE1-CB 4.12Å; F52-T108 HydrophobicContact CE2-CG2 3.98Å; F52-T108 HydrophobicContact CZ-CG2 4.09Å; F52-L111 HydrophobicContact CE1-CB 3.98Å; F52-L111 HydrophobicContact CE1-CD1 4.21Å; F52-L111 HydrophobicContact CZ-CB 4.29Å; F52-L111 HydrophobicContact CZ-CD1 4.47Å; F52-F112 HydrophobicContact CZ-CD2 4.3Å; F52-F112 HydrophobicContact CZ-CE2 4.18Å
53	G	97.6	Very high	95.2	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	168.1	169.5	0	0	0	0	0	111.5	Y91	G53-Y91 PolarHBondContact N-O 2.87Å; G53-Y91 PolarHBondContact O-N 2.98Å; G53-Y91 VanDerWaalsContact O-N 3.12Å
54	L	98	Very high	95	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.4	171.2	-71.5	162	0	0	0	108.8	V16 L36 F37 V40 L66 F88 S89 F90	V16-L54 HydrophobicContact CB-CD2 4.45Å; V16-L54 HydrophobicContact CG1-CD2 3.46Å; V16-L54 VanDerWaalsContact CG1-CD2 3.46Å; V16-L54 HydrophobicContact CG2-CD2 4.13Å; L36-L54 HydrophobicContact CB-CD1 4.42Å; L36-L54 HydrophobicContact CD2-CD1 3.88Å; L36-L54 HydrophobicContact CG-CD1 3.73Å; F37-L54 HydrophobicContact CB-CD1 4.16Å; F37-L54 HydrophobicContact CD2-CD1 4.1Å; F37-L54 HydrophobicContact CD2-CG 4.15Å; V40-L54 HydrophobicContact CG2-CD2 4.46Å; L54-L66 HydrophobicContact CB-CB 3.91Å; L54-L66 HydrophobicContact CB-CD2 3.93Å; L54-L66 HydrophobicContact CD1-CD2 3.71Å; L54-L66 HydrophobicContact CG-CD2 4.48Å; L54-L66 WeakPolarHBondContact O-CB 3.45Å; L54-L66 PolarHBondContact O-N 3.35Å; L54-F88 HydrophobicContact CB-CB 4.29Å; L54-F88 HydrophobicContact CB-CD1 4.19Å; L54-F88 HydrophobicContact CB-CG 4.45Å; L54-F88 HydrophobicContact CD2-CB 3.85Å; L54-S89 WeakPolarHBondContact CA-O 3.33Å; L54-F90 HydrophobicContact CD2-CB 4.06Å; L54-F90 HydrophobicContact CD2-CD2 3.98Å; L54-F90 HydrophobicContact CG-CD2 4.37Å
55	Q	97	Very high	95	Very high	47 Å²	47	43.1 Å²	43.1	22%	0.22	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.6	176.2	-169.3	178.5	81.6	0	0	109.8	V63 S64 W65 F88 S89 Y91	Q55-V63 HydrophobicContact CG-CG1 3.49Å; Q55-V63 VanDerWaalsContact CG-CG1 3.49Å; Q55-S64 CarbonylContact C-O 3.56Å; Q55-S64 WeakPolarHBondContact CA-O 3.35Å; Q55-W65 HydrophobicContact CB-CE3 4.05Å; Q55-W65 HydrophobicContact CB-CH2 4.42Å; Q55-W65 HydrophobicContact CB-CZ3 4Å; Q55-F88 CarbonylContact O-C 3.52Å; Q55-F88 WeakPolarHBondContact O-CA 3.36Å; Q55-S89 PolarHBondContact N-O 2.88Å; Q55-S89 PolarHBondContact O-N 3.26Å; Q55-Y91 HydrophobicContact CB-CD2 4.39Å
56	Y	95.9	Very high	95.1	Very high	24 Å²	24	41.7 Å²	41.7	9%	0.094	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.7	176.2	65.4	-83	0	0	0	111.6	D58 V63 S64 L66 Q75 V77 F88	Y56-D58 HydrophobicContact CE2-CB 3.96Å; Y56-V63 WeakPolarHBondContact O-CA 3.45Å; Y56-S64 WeakPolarHBondContact CD1-O 3.42Å; Y56-S64 VanDerWaalsContact CZ-CB 3.49Å; Y56-S64 PolarHBondContact N-O 3.02Å; Y56-S64 PolarHBondContact O-N 2.94Å; Y56-L66 HydrophobicContact CD1-CB 4.4Å; Y56-L66 HydrophobicContact CE1-CB 4.33Å; Y56-L66 HydrophobicContact CE1-CD1 4.35Å; Y56-Q75 PolarHBondContact OH-O 3.45Å; Y56-V77 HydrophobicContact CD1-CG2 4.41Å; Y56-V77 HydrophobicContact CD2-CB 3.91Å; Y56-V77 HydrophobicContact CD2-CG1 3.85Å; Y56-V77 HydrophobicContact CD2-CG2 3.68Å; Y56-V77 HydrophobicContact CE1-CG2 4.45Å; Y56-V77 HydrophobicContact CE2-CB 4.22Å; Y56-V77 HydrophobicContact CE2-CG2 3.72Å; Y56-V77 HydrophobicContact CG-CB 4.49Å; Y56-V77 HydrophobicContact CG-CG1 4.11Å; Y56-V77 HydrophobicContact CG-CG2 4.04Å; Y56-F88 HydrophobicContact CD1-CD1 4.18Å; Y56-F88 AromaticContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CG-CD1 4.27Å; Y56-F88 HydrophobicContact CG-CE1 4Å
57	V	94	Very high	95	Very high	63 Å²	63	44.4 Å²	44.4	38%	0.382	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.3	169.1	-178.3	0	0	0	0	108.8	E78	V57-E78 WeakPolarHBondContact O-CB 3.43Å; V57-E78 PolarHBondContact O-N 3.19Å
58	D	92	Very high	94.9	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.08	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-80.1	165.5	177.3	102	-50.8	0	0	0	112	Y56 R60 S61 N62 R76	Y56-D58 HydrophobicContact CE2-CB 3.96Å; D58-R60 PolarHBondContact O-N 3.29Å; D58-R60 WeakPolarHBondContact OD1-CA 3.36Å; D58-R60 VanDerWaalsContact OD1-CB 3.32Å; D58-R60 WeakPolarHBondContact OD1-CB 3.39Å; D58-R60 PolarHBondContact OD1-N 2.79Å; D58-S61 WeakPolarHBondContact O-CA 3.36Å; D58-S61 PolarHBondContact O-N 3.27Å; D58-S61 PolarHBondContact OD1-N 3Å; D58-N62 PolarHBondContact N-O 2.93Å; D58-N62 WeakPolarHBondContact OD1-CB 3.47Å; D58-N62 PolarHBondContact OD1-N 3.44Å; D58-N62 PolarHBondContact OD1-ND2 2.92Å; D58-R76 CarbonylContact C-O 3.52Å; D58-R76 VanDerWaalsContact CA-O 3.3Å; D58-R76 WeakPolarHBondContact CA-O 3.42Å
59	T	90.4	Very high	94.7	Very high	90 Å²	90	48.8 Å²	48.8	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	7.8	175.6	53.7	0	0	0	0	116.2	R76	T59-R76 WeakPolarHBondContact CG2-O 3.44Å; T59-R76 PolarHBondContact N-O 2.88Å
60	R	90.3	Very high	94.6	Very high	178 Å²	178	52.9 Å²	52.9	67%	0.672	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	16.2	171.6	-62	167.3	162.1	-157	-9	111.5	D58 N62	D58-R60 PolarHBondContact O-N 3.29Å; D58-R60 WeakPolarHBondContact OD1-CA 3.36Å; D58-R60 VanDerWaalsContact OD1-CB 3.32Å; D58-R60 WeakPolarHBondContact OD1-CB 3.39Å; D58-R60 PolarHBondContact OD1-N 2.79Å; R60-N62 VanDerWaalsContact C-N 3.27Å; R60-N62 WeakPolarHBondContact CB-ND2 3.42Å; R60-N62 PolarHBondContact O-N 3.24Å; R60-N62 PolarHBondContact O-ND2 3.26Å; R60-N62 VanDerWaalsContact O-ND2 3.17Å
61	S	90.7	Very high	94.6	Very high	94 Å²	94	54.7 Å²	54.7	66%	0.657	27%	0.269	S	S	*	.	S	Bend	trans	62.1	22.6	-176.8	-49.7	0	0	0	0	115.3	D58	D58-S61 WeakPolarHBondContact O-CA 3.36Å; D58-S61 PolarHBondContact O-N 3.27Å; D58-S61 PolarHBondContact OD1-N 3Å
62	N	91.3	Very high	94.4	Very high	50 Å²	50	54.4 Å²	54.4	27%	0.267	27%	0.267	S	S	.	.			trans	-91.2	128.1	176.6	-55.9	-84.2	0	0	0	111.2	D58 R60 S64	D58-N62 PolarHBondContact N-O 2.93Å; D58-N62 WeakPolarHBondContact OD1-CB 3.47Å; D58-N62 PolarHBondContact OD1-N 3.44Å; D58-N62 PolarHBondContact OD1-ND2 2.92Å; R60-N62 VanDerWaalsContact C-N 3.27Å; R60-N62 WeakPolarHBondContact CB-ND2 3.42Å; R60-N62 PolarHBondContact O-N 3.24Å; R60-N62 PolarHBondContact O-ND2 3.26Å; R60-N62 VanDerWaalsContact O-ND2 3.17Å; N62-S64 PolarHBondContact O-N 2.97Å; N62-S64 PolarHBondContact O-OG 3.44Å
63	V	92.9	Very high	94	Very high	72 Å²	72	58.8 Å²	58.8	44%	0.436	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	123.6	169	-176.3	0	0	0	0	109.1	Q55 Y56 H285	Q55-V63 HydrophobicContact CG-CG1 3.49Å; Q55-V63 VanDerWaalsContact CG-CG1 3.49Å; Y56-V63 WeakPolarHBondContact O-CA 3.45Å; V63-H285 PolarHBondContact O-CE1 3.2Å; V63-H285 PolarHBondContact O-NE2 3.34Å
64	S	93.9	Very high	93.8	Very high	8 Å²	8	62.6 Å²	62.6	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.2	-166	-64	0	0	0	0	111.1	Q55 Y56 N62 H285	Q55-S64 CarbonylContact C-O 3.56Å; Q55-S64 WeakPolarHBondContact CA-O 3.35Å; Y56-S64 WeakPolarHBondContact CD1-O 3.42Å; Y56-S64 VanDerWaalsContact CZ-CB 3.49Å; Y56-S64 PolarHBondContact N-O 3.02Å; Y56-S64 PolarHBondContact O-N 2.94Å; N62-S64 PolarHBondContact O-N 2.97Å; N62-S64 PolarHBondContact O-OG 3.44Å; S64-H285 PolarHBondContact OG-CE1 3.46Å; S64-H285 VanDerWaalsContact OG-CE1 3.28Å
65	W	95.9	Very high	93.5	Very high	29 Å²	29	63.4 Å²	63.4	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.6	173.4	-66.1	97.8	0	0	0	111.1	Q55 K67 K93	Q55-W65 HydrophobicContact CB-CE3 4.05Å; Q55-W65 HydrophobicContact CB-CH2 4.42Å; Q55-W65 HydrophobicContact CB-CZ3 4Å; W65-K67 PolarHBondContact O-N 3.03Å; W65-K93 HydrophobicContact CD2-CD 3.69Å; W65-K93 HydrophobicContact CD2-CG 4.09Å; W65-K93 HydrophobicContact CE3-CB 4.31Å; W65-K93 HydrophobicContact CE3-CD 3.99Å; W65-K93 HydrophobicContact CE3-CG 4.35Å; W65-K93 HydrophobicContact CG-CD 3.96Å; W65-K93 HydrophobicContact CH2-CB 3.68Å; W65-K93 HydrophobicContact CH2-CG 4.08Å; W65-K93 HydrophobicContact CZ2-CB 3.92Å; W65-K93 HydrophobicContact CZ2-CD 4.35Å; W65-K93 HydrophobicContact CZ2-CG 3.81Å; W65-K93 HydrophobicContact CZ3-CB 3.9Å; W65-K93 HydrophobicContact CZ3-CD 4.43Å; W65-K93 HydrophobicContact CZ3-CG 4.35Å
66	L	96.4	Very high	93.1	Very high	11 Å²	11	68.3 Å²	68.3	6%	0.058	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-63.6	127.5	177.4	-168.4	68.9	0	0	0	110.4	L36 L54 Y56 F88	L36-L66 HydrophobicContact CD2-CD2 4.12Å; L54-L66 HydrophobicContact CB-CB 3.91Å; L54-L66 HydrophobicContact CB-CD2 3.93Å; L54-L66 HydrophobicContact CD1-CD2 3.71Å; L54-L66 HydrophobicContact CG-CD2 4.48Å; L54-L66 WeakPolarHBondContact O-CB 3.45Å; L54-L66 PolarHBondContact O-N 3.35Å; Y56-L66 HydrophobicContact CD1-CB 4.4Å; Y56-L66 HydrophobicContact CE1-CB 4.33Å; Y56-L66 HydrophobicContact CE1-CD1 4.35Å; L66-F88 HydrophobicContact CD1-CE1 3.92Å; L66-F88 HydrophobicContact CD1-CZ 4.43Å; L66-F88 HydrophobicContact CD2-CE1 4.36Å
67	K	95.2	Very high	92.8	Very high	59 Å²	59	67.7 Å²	67.7	26%	0.257	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-82.9	124.8	173.3	-57.5	-70.5	171.8	157.4	0	108.4	W65 E69 K70 Q75 D292	W65-K67 PolarHBondContact O-N 3.03Å; K67-E69 VanDerWaalsContact C-N 3.31Å; K67-E69 PolarHBondContact O-N 2.75Å; K67-K70 HydrophobicContact CB-CB 4.25Å; K67-K70 HydrophobicContact CB-CD 4.07Å; K67-K70 HydrophobicContact CB-CG 4.22Å; K67-K70 HydrophobicContact CG-CD 4.37Å; K67-K70 PolarHBondContact O-N 2.96Å; K67-Q75 VanDerWaalsContact CB-OE1 3.31Å; K67-Q75 PolarHBondContact O-NE2 3.39Å; K67-D292 IonicContact NZ-OD1 3.82Å; K67-D292 PolarHBondContact NZ-OD1 3.4Å; K67-D292 IonicContact NZ-OD2 3.62Å; K67-D292 PolarHBondContact NZ-OD2 3.15Å
68	M	94.6	Very high	92.4	Very high	37 Å²	37	69.3 Å²	69.3	18%	0.182	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.6	-171.5	-59.2	-48.8	-175.6	0	0	112.1	S32 G33 Q34 F37 K70	S32-M68 WeakPolarHBondContact CB-O 3.35Å; G33-M68 PolarHBondContact N-O 2.96Å; G33-M68 VanDerWaalsContact N-O 3.13Å; Q34-M68 HydrophobicContact CB-CB 4.16Å; Q34-M68 PolarHBondContact N-O 3.06Å; F37-M68 HydrophobicContact CB-CE 4.01Å; F37-M68 HydrophobicContact CB-SD 3.92Å; F37-M68 HydrophobicContact CD1-CE 3.79Å; F37-M68 HydrophobicContact CD1-SD 4.44Å; F37-M68 HydrophobicContact CD2-CE 3.59Å; F37-M68 HydrophobicContact CE1-CE 4.05Å; F37-M68 HydrophobicContact CE2-CE 3.87Å; F37-M68 HydrophobicContact CG-CE 3.53Å; F37-M68 HydrophobicContact CG-SD 4.1Å; F37-M68 HydrophobicContact CZ-CE 4.08Å; M68-K70 VanDerWaalsContact C-N 3.31Å; M68-K70 PolarHBondContact O-N 3.46Å
69	E	93.3	Very high	92	Very high	126 Å²	126	71.9 Å²	71.9	59%	0.589	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.1	-174.8	-39.2	77.3	-174	0	0	112.8	K67	K67-E69 VanDerWaalsContact C-N 3.31Å; K67-E69 PolarHBondContact O-N 2.75Å
70	K	95.1	Very high	91.5	Very high	123 Å²	123	72.5 Å²	72.5	54%	0.535	34%	0.335	S	S	.	.	S	Bend	trans	-106.6	148.5	-174.5	-63.7	-179.5	-174.7	177.6	0	110.8	S32 G33 K67 M68 Q75	S32-K70 CarbonylContact C-O 3.59Å; S32-K70 WeakPolarHBondContact CA-O 3.42Å; G33-K70 PolarHBondContact N-O 2.95Å; K67-K70 HydrophobicContact CB-CB 4.25Å; K67-K70 HydrophobicContact CB-CD 4.07Å; K67-K70 HydrophobicContact CB-CG 4.22Å; K67-K70 HydrophobicContact CG-CD 4.37Å; K67-K70 PolarHBondContact O-N 2.96Å; M68-K70 VanDerWaalsContact C-N 3.31Å; M68-K70 PolarHBondContact O-N 3.46Å; K70-Q75 HydrophobicContact CB-CG 3.87Å; K70-Q75 PolarHBondContact O-NE2 2.86Å
71	R	95.3	Very high	90.4	Very high	102 Å²	102	68.8 Å²	68.8	39%	0.385	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-64.1	139	176.3	-58.5	-166.2	-176.5	99.8	6.7	111.7	R30 A31 R73 D74 Q75	R30-R71 WeakPolarHBondContact O-CD 3.29Å; R30-R71 WeakPolarHBondContact O-CG 3.42Å; R30-R71 PolarHBondContact O-NE 2.9Å; A31-R71 WeakPolarHBondContact O-CA 3.48Å; A31-R71 WeakPolarHBondContact O-CB 3.5Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 HydrophobicContact CB-CG 4.24Å; R71-R73 PolarHBondContact O-N 2.91Å; R71-D74 HydrophobicContact CB-CB 4.06Å; R71-D74 WeakPolarHBondContact CB-OD2 3.41Å; R71-D74 WeakPolarHBondContact CD-OD2 3.3Å; R71-D74 IonicContact NH1-OD2 3.61Å; R71-D74 PolarHBondContact NH1-OD2 3.42Å; R71-D74 PolarHBondContact O-N 3.45Å; R71-Q75 WeakPolarHBondContact O-CG 3.47Å
72	V	93.7	Very high	89.6	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-51.2	-52.2	-178.7	-176.3	0	0	0	0	111.4	L27 A31 S32 L36 D74 Q75 F88	L27-V72 HydrophobicContact CD1-CG2 4.01Å; A31-V72 PolarHBondContact O-N 3.39Å; S32-V72 WeakPolarHBondContact O-CG2 3.28Å; L36-V72 HydrophobicContact CB-CG2 4.33Å; L36-V72 HydrophobicContact CD2-CG2 4.27Å; V72-D74 VanDerWaalsContact C-N 3.28Å; V72-D74 PolarHBondContact O-N 3.23Å; V72-Q75 PolarHBondContact O-N 2.93Å; V72-F88 HydrophobicContact CG1-CE1 4.49Å; V72-F88 HydrophobicContact CG1-CE2 3.96Å; V72-F88 HydrophobicContact CG1-CZ 3.48Å; V72-F88 VanDerWaalsContact CG1-CZ 3.48Å
73	R	90.9	Very high	88.8	Confident	102 Å²	102	69.7 Å²	69.7	39%	0.385	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22	177.4	52.8	153.7	-118.1	-142.7	3.7	115.8	L12 P29 R71 Q75 Y86	L12-R73 HydrophobicContact CD1-CB 4.03Å; L12-R73 HydrophobicContact CD1-CG 4.05Å; P29-R73 WeakPolarHBondContact O-CD 3.34Å; P29-R73 PolarHBondContact O-NH1 3.17Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 HydrophobicContact CB-CG 4.24Å; R71-R73 PolarHBondContact O-N 2.91Å; R73-Q75 VanDerWaalsContact C-N 3.29Å; R73-Y86 WeakPolarHBondContact CB-OH 3.46Å
74	D	92.7	Very high	88.4	Confident	84 Å²	84	71.8 Å²	71.8	45%	0.449	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-89.8	4.2	-176.7	-63.3	-21.4	0	0	0	111.2	R71 V72	R71-D74 HydrophobicContact CB-CB 4.06Å; R71-D74 WeakPolarHBondContact CB-OD2 3.41Å; R71-D74 WeakPolarHBondContact CD-OD2 3.3Å; R71-D74 IonicContact NH1-OD2 3.61Å; R71-D74 PolarHBondContact NH1-OD2 3.42Å; R71-D74 PolarHBondContact O-N 3.45Å; V72-D74 VanDerWaalsContact C-N 3.28Å; V72-D74 PolarHBondContact O-N 3.23Å
75	Q	92.5	Very high	88.3	Confident	17 Å²	17	71.9 Å²	71.9	8%	0.079	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-104.4	11.2	-174.4	-68.7	-173.1	66.1	0	0	116	Y56 K67 K70 R71 V72 R73 V77	Y56-Q75 PolarHBondContact OH-O 3.45Å; K67-Q75 VanDerWaalsContact CB-OE1 3.31Å; K67-Q75 PolarHBondContact O-NE2 3.39Å; K70-Q75 HydrophobicContact CB-CG 3.87Å; K70-Q75 PolarHBondContact O-NE2 2.86Å; R71-Q75 WeakPolarHBondContact O-CG 3.47Å; V72-Q75 PolarHBondContact O-N 2.93Å; R73-Q75 VanDerWaalsContact C-N 3.29Å; Q75-V77 VanDerWaalsContact C-N 3.27Å; Q75-V77 HydrophobicContact CB-CG2 4.36Å; Q75-V77 PolarHBondContact O-N 3.4Å
76	R	88.5	Confident	88.1	Confident	150 Å²	150	72 Å²	72	57%	0.566	36%	0.357	S	S	*	.			trans	59.1	31.1	178.9	-51.4	-178.7	179.9	167.3	-0.3	115.2	D58 T59	D58-R76 CarbonylContact C-O 3.52Å; D58-R76 VanDerWaalsContact CA-O 3.3Å; D58-R76 WeakPolarHBondContact CA-O 3.42Å; T59-R76 WeakPolarHBondContact CG2-O 3.44Å; T59-R76 PolarHBondContact N-O 2.88Å
77	V	88.8	Confident	88	Confident	11 Å²	11	74 Å²	74	7%	0.067	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-60.1	134.3	169.9	-174.8	0	0	0	0	109.4	Y56 Q75 Y86 F88	Y56-V77 HydrophobicContact CD1-CG2 4.41Å; Y56-V77 HydrophobicContact CD2-CB 3.91Å; Y56-V77 HydrophobicContact CD2-CG1 3.85Å; Y56-V77 HydrophobicContact CD2-CG2 3.68Å; Y56-V77 HydrophobicContact CE1-CG2 4.45Å; Y56-V77 HydrophobicContact CE2-CB 4.22Å; Y56-V77 HydrophobicContact CE2-CG2 3.72Å; Y56-V77 HydrophobicContact CG-CB 4.49Å; Y56-V77 HydrophobicContact CG-CG1 4.11Å; Y56-V77 HydrophobicContact CG-CG2 4.04Å; Q75-V77 VanDerWaalsContact C-N 3.27Å; Q75-V77 HydrophobicContact CB-CG2 4.36Å; Q75-V77 PolarHBondContact O-N 3.4Å; V77-Y86 HydrophobicContact CB-CD1 3.8Å; V77-Y86 HydrophobicContact CB-CE1 4.24Å; V77-Y86 HydrophobicContact CG1-CD1 3.82Å; V77-Y86 HydrophobicContact CG2-CD1 4.5Å; V77-F88 HydrophobicContact CB-CZ 4.5Å; V77-F88 HydrophobicContact CG1-CE1 4.01Å; V77-F88 HydrophobicContact CG1-CZ 3.87Å; V77-F88 HydrophobicContact CG2-CE1 3.94Å; V77-F88 HydrophobicContact CG2-CZ 3.95Å
78	E	85	Confident	88.1	Confident	98 Å²	98	71.3 Å²	71.3	46%	0.458	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-68.8	137.4	173.8	-170.7	166.4	-168.7	0	0	110.9	V57	V57-E78 WeakPolarHBondContact O-CB 3.43Å; V57-E78 PolarHBondContact O-N 3.19Å
79	L	84.3	Confident	88.3	Confident	69 Å²	69	71 Å²	71	36%	0.361	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.6	179.6	-80.2	170.2	0	0	0	109.9	A81 Y86	L79-A81 PolarHBondContact O-N 3.46Å; L79-Y86 HydrophobicContact CD2-CD1 3.74Å; L79-Y86 HydrophobicContact CD2-CD2 3.77Å; L79-Y86 HydrophobicContact CD2-CE1 3.74Å; L79-Y86 HydrophobicContact CD2-CE2 3.73Å; L79-Y86 HydrophobicContact CD2-CG 3.77Å; L79-Y86 HydrophobicContact CG-CD1 4.45Å; L79-Y86 HydrophobicContact CG-CE1 4.21Å
80	H	80.7	Confident	88.5	Confident	102 Å²	102	65.1 Å²	65.1	47%	0.472	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120	-179.2	-168.3	-89.9	0	0	0	111	S82 N83 N84 V85 V87	H80-S82 PolarHBondContact CE1-OG 3Å; H80-S82 VanDerWaalsContact CE1-OG 3.23Å; H80-S82 PolarHBondContact ND1-OG 3.39Å; H80-S82 PolarHBondContact O-N 3.07Å; H80-S82 VanDerWaalsContact O-N 3.07Å; H80-N83 PolarHBondContact O-N 3.48Å; H80-N83 PolarHBondContact O-OD1 3.14Å; H80-N84 PolarHBondContact O-N 3.25Å; H80-V85 PolarHBondContact N-O 2.81Å; H80-V87 HydrophobicContact CB-CG2 4.06Å
81	A	66.7	Low	88.6	Confident	101 Å²	101	61.7 Å²	61.7	84%	0.835	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.5	-161	0	0	0	0	0	115	L79	L79-A81 PolarHBondContact O-N 3.46Å
82	S	73	Confident	88.7	Confident	96 Å²	96	57 Å²	57	67%	0.671	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.4	-178.9	63	0	0	0	0	114.6	H80	H80-S82 PolarHBondContact CE1-OG 3Å; H80-S82 VanDerWaalsContact CE1-OG 3.23Å; H80-S82 PolarHBondContact ND1-OG 3.39Å; H80-S82 PolarHBondContact O-N 3.07Å; H80-S82 VanDerWaalsContact O-N 3.07Å
83	N	75.5	Confident	88.9	Confident	67 Å²	67	58.1 Å²	58.1	36%	0.358	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	-3.4	-164.7	61.4	5	0	0	0	115.6	H80 V85	H80-N83 PolarHBondContact O-N 3.48Å; H80-N83 PolarHBondContact O-OD1 3.14Å; N83-V85 HydrophobicContact CB-CG2 4.08Å; N83-V85 VanDerWaalsContact CG-CG2 3.41Å; N83-V85 WeakPolarHBondContact ND2-CG2 3.29Å; N83-V85 PolarHBondContact O-N 2.84Å; N83-V85 WeakPolarHBondContact OD1-CB 3.29Å; N83-V85 PolarHBondContact OD1-N 2.97Å; N83-V85 VanDerWaalsContact OD1-N 3.13Å
84	N	84	Confident	89.3	Confident	115 Å²	115	54.3 Å²	54.3	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	35.9	-173.3	-62.9	-70.2	0	0	0	113.3	H80	H80-N84 PolarHBondContact O-N 3.25Å
85	V	91.4	Very high	89.5	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.2	172.2	174.6	0	0	0	0	109.5	R15 H80 N83 V87	R15-V85 HydrophobicContact CB-CG1 3.85Å; H80-V85 PolarHBondContact N-O 2.81Å; N83-V85 HydrophobicContact CB-CG2 4.08Å; N83-V85 VanDerWaalsContact CG-CG2 3.41Å; N83-V85 WeakPolarHBondContact ND2-CG2 3.29Å; N83-V85 PolarHBondContact O-N 2.84Å; N83-V85 WeakPolarHBondContact OD1-CB 3.29Å; N83-V85 PolarHBondContact OD1-N 2.97Å; N83-V85 VanDerWaalsContact OD1-N 3.13Å; V85-V87 HydrophobicContact CG1-CG2 4.42Å
86	Y	92.7	Very high	89.7	Confident	30 Å²	30	50.6 Å²	50.6	12%	0.118	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.5	165.8	-62.9	-91.8	0	0	0	108.7	L12 S13 V14 R15 R73 V77 L79	L12-Y86 HydrophobicContact CB-CD2 4.35Å; L12-Y86 HydrophobicContact CB-CE2 4.03Å; L12-Y86 HydrophobicContact CD1-CE2 4.42Å; L12-Y86 HydrophobicContact CD2-CE2 4.1Å; L12-Y86 HydrophobicContact CG-CE2 4.4Å; S13-Y86 PolarHBondContact O-N 3.43Å; V14-Y86 CarbonylContact C-O 3.53Å; V14-Y86 WeakPolarHBondContact CA-O 3.47Å; V14-Y86 HydrophobicContact CG2-CD2 4.4Å; R15-Y86 PolarHBondContact N-O 3.08Å; R73-Y86 WeakPolarHBondContact CB-OH 3.46Å; V77-Y86 HydrophobicContact CB-CD1 3.8Å; V77-Y86 HydrophobicContact CB-CE1 4.24Å; V77-Y86 HydrophobicContact CG1-CD1 3.82Å; V77-Y86 HydrophobicContact CG2-CD1 4.5Å; L79-Y86 HydrophobicContact CD2-CD1 3.74Å; L79-Y86 HydrophobicContact CD2-CD2 3.77Å; L79-Y86 HydrophobicContact CD2-CE1 3.74Å; L79-Y86 HydrophobicContact CD2-CE2 3.73Å; L79-Y86 HydrophobicContact CD2-CG 3.77Å; L79-Y86 HydrophobicContact CG-CD1 4.45Å; L79-Y86 HydrophobicContact CG-CE1 4.21Å
87	V	94.6	Very high	90	Very high	55 Å²	55	45.1 Å²	45.1	33%	0.333	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.4	-179.4	-177.3	0	0	0	0	109.8	R15 H80 V85	R15-V87 WeakPolarHBondContact O-CA 3.36Å; H80-V87 HydrophobicContact CB-CG2 4.06Å; V85-V87 HydrophobicContact CG1-CG2 4.42Å
88	F	97.3	Very high	90.2	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.1	174.8	-57.4	-86.6	0	0	0	110.9	V14 R15 V16 S17 L36 L54 Q55 Y56 L66 V72 V77	V14-F88 HydrophobicContact CG1-CD2 3.59Å; V14-F88 HydrophobicContact CG1-CE2 3.65Å; R15-F88 PolarHBondContact O-N 3.47Å; V16-F88 CarbonylContact C-O 3.55Å; V16-F88 VanDerWaalsContact CA-O 3.31Å; V16-F88 WeakPolarHBondContact CA-O 3.43Å; V16-F88 HydrophobicContact CG2-CB 4.32Å; V16-F88 HydrophobicContact CG2-CD2 4.47Å; S17-F88 PolarHBondContact N-O 2.87Å; L36-F88 HydrophobicContact CD2-CD2 3.82Å; L36-F88 HydrophobicContact CD2-CE2 3.7Å; L36-F88 HydrophobicContact CD2-CG 4.45Å; L36-F88 HydrophobicContact CD2-CZ 4.27Å; L54-F88 HydrophobicContact CB-CB 4.29Å; L54-F88 HydrophobicContact CB-CD1 4.19Å; L54-F88 HydrophobicContact CB-CG 4.45Å; L54-F88 HydrophobicContact CD2-CB 3.85Å; Q55-F88 CarbonylContact O-C 3.52Å; Q55-F88 WeakPolarHBondContact O-CA 3.36Å; Y56-F88 HydrophobicContact CD1-CD1 4.18Å; Y56-F88 AromaticContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CG-CD1 4.27Å; Y56-F88 HydrophobicContact CG-CE1 4Å; L66-F88 HydrophobicContact CD1-CE1 3.92Å; L66-F88 HydrophobicContact CD1-CZ 4.43Å; L66-F88 HydrophobicContact CD2-CE1 4.36Å; V72-F88 HydrophobicContact CG1-CE1 4.49Å; V72-F88 HydrophobicContact CG1-CE2 3.96Å; V72-F88 HydrophobicContact CG1-CZ 3.48Å; V72-F88 VanDerWaalsContact CG1-CZ 3.48Å; V77-F88 HydrophobicContact CB-CZ 4.5Å; V77-F88 HydrophobicContact CG1-CE1 4.01Å; V77-F88 HydrophobicContact CG1-CZ 3.87Å; V77-F88 HydrophobicContact CG2-CE1 3.94Å; V77-F88 HydrophobicContact CG2-CZ 3.95Å
89	S	97.6	Very high	90.6	Very high	30 Å²	30	40.6 Å²	40.6	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	166.3	-50.7	0	0	0	0	110	S17 L54 Q55	S17-S89 CarbonylContact O-C 3.51Å; S17-S89 WeakPolarHBondContact O-CA 3.46Å; L54-S89 WeakPolarHBondContact CA-O 3.33Å; Q55-S89 PolarHBondContact N-O 2.88Å; Q55-S89 PolarHBondContact O-N 3.26Å
90	F	98.1	Very high	91	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	105.9	177.6	-177.8	-90.8	0	0	0	109.9	V16 S17 T18 F37 V40 I44 F52 L54 L111	V16-F90 HydrophobicContact CG1-CB 3.75Å; S17-F90 PolarHBondContact O-N 3.15Å; T18-F90 HydrophobicContact CG2-CB 4.17Å; T18-F90 HydrophobicContact CG2-CD1 4.16Å; F37-F90 HydrophobicContact CD2-CD2 4.43Å; F37-F90 AromaticContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CE2-CD2 4.22Å; F37-F90 AromaticContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CZ 4.38Å; F37-F90 HydrophobicContact CZ-CE2 4.36Å; V40-F90 HydrophobicContact CB-CD2 4.38Å; V40-F90 HydrophobicContact CB-CE2 4.47Å; V40-F90 HydrophobicContact CG1-CB 4.46Å; V40-F90 HydrophobicContact CG1-CD2 3.52Å; V40-F90 HydrophobicContact CG1-CE2 3.74Å; V40-F90 HydrophobicContact CG1-CG 3.95Å; V40-F90 HydrophobicContact CG1-CZ 4.37Å; I44-F90 HydrophobicContact CD1-CD1 4.36Å; I44-F90 HydrophobicContact CD1-CE1 3.73Å; I44-F90 HydrophobicContact CD1-CZ 4.01Å; F52-F90 HydrophobicContact CB-CE1 3.94Å; F52-F90 HydrophobicContact CB-CE2 3.9Å; F52-F90 HydrophobicContact CB-CZ 3.49Å; F52-F90 VanDerWaalsContact CB-CZ 3.49Å; F52-F90 HydrophobicContact CD1-CD1 4.06Å; F52-F90 AromaticContact CD1-CE1 3.41Å; F52-F90 HydrophobicContact CD1-CE1 3.41Å; F52-F90 VanDerWaalsContact CD1-CE1 3.41Å; F52-F90 AromaticContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD2-CE1 4.44Å; F52-F90 HydrophobicContact CD2-CZ 4.27Å; F52-F90 HydrophobicContact CE1-CE1 4.05Å; F52-F90 AromaticContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE2 4.48Å; F52-F90 AromaticContact CG-CZ 3.61Å; F52-F90 HydrophobicContact CG-CZ 3.61Å; L54-F90 HydrophobicContact CD2-CB 4.06Å; L54-F90 HydrophobicContact CD2-CD2 3.98Å; L54-F90 HydrophobicContact CG-CD2 4.37Å; F90-L111 HydrophobicContact CD1-CD1 4.41Å; F90-L111 HydrophobicContact CE1-CD1 4.01Å
91	Y	97.8	Very high	91.4	Very high	51 Å²	51	39.6 Å²	39.6	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.7	-171.5	-65.4	-31.1	0	0	0	111.7	F19 F52 G53 Q55 K93	F19-Y91 HydrophobicContact CD1-CE1 4.49Å; F19-Y91 HydrophobicContact CD2-CD1 4.01Å; F19-Y91 AromaticContact CD2-CE1 3.82Å; F19-Y91 HydrophobicContact CD2-CE1 3.82Å; F19-Y91 AromaticContact CE1-CE1 4Å; F19-Y91 HydrophobicContact CE1-CE1 4Å; F19-Y91 AromaticContact CE2-CD1 3.31Å; F19-Y91 HydrophobicContact CE2-CD1 3.31Å; F19-Y91 AromaticContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CG 4.37Å; F19-Y91 HydrophobicContact CG-CE1 4.41Å; F19-Y91 AromaticContact CZ-CD1 3.81Å; F19-Y91 HydrophobicContact CZ-CD1 3.81Å; F19-Y91 AromaticContact CZ-CE1 3.32Å; F19-Y91 HydrophobicContact CZ-CE1 3.32Å; F19-Y91 AromaticContact CZ-CZ 3.85Å; F52-Y91 CarbonylContact C-O 3.46Å; F52-Y91 WeakPolarHBondContact CA-O 3.49Å; G53-Y91 PolarHBondContact N-O 2.87Å; G53-Y91 PolarHBondContact O-N 2.98Å; G53-Y91 VanDerWaalsContact O-N 3.12Å; Q55-Y91 HydrophobicContact CB-CD2 4.39Å; Y91-K93 PolarHBondContact O-N 2.88Å
92	A	97.8	Very high	92.7	Very high	3 Å²	3	36 Å²	36	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	118.2	167	0	0	0	0	0	109.3	Y51 F52 F112 Q115	Y51-A92 CarbonylContact O-C 3.53Å; F52-A92 HydrophobicContact CD1-CB 4.27Å; F52-A92 HydrophobicContact CE1-CB 4.12Å; A92-F112 HydrophobicContact CB-CD1 4.07Å; A92-F112 HydrophobicContact CB-CE1 3.59Å; A92-F112 HydrophobicContact CB-CE2 4.47Å; A92-F112 HydrophobicContact CB-CZ 3.82Å; A92-Q115 PolarHBondContact O-NE2 3.24Å
93	K	97.4	Very high	93.9	Very high	25 Å²	25	32.2 Å²	32.2	11%	0.109	17%	0.167	C	C	.	.			trans	-92.9	-28.9	175.7	-176.5	175.9	-179.2	179.5	0	111.7	Y51 W65 Y91 L293	Y51-K93 PolarHBondContact O-N 2.62Å; W65-K93 HydrophobicContact CD2-CD 3.69Å; W65-K93 HydrophobicContact CD2-CG 4.09Å; W65-K93 HydrophobicContact CE3-CB 4.31Å; W65-K93 HydrophobicContact CE3-CD 3.99Å; W65-K93 HydrophobicContact CE3-CG 4.35Å; W65-K93 HydrophobicContact CG-CD 3.96Å; W65-K93 HydrophobicContact CH2-CB 3.68Å; W65-K93 HydrophobicContact CH2-CG 4.08Å; W65-K93 HydrophobicContact CZ2-CB 3.92Å; W65-K93 HydrophobicContact CZ2-CD 4.35Å; W65-K93 HydrophobicContact CZ2-CG 3.81Å; W65-K93 HydrophobicContact CZ3-CB 3.9Å; W65-K93 HydrophobicContact CZ3-CD 4.43Å; W65-K93 HydrophobicContact CZ3-CG 4.35Å; Y91-K93 PolarHBondContact O-N 2.88Å; K93-L293 HydrophobicContact CG-CD2 3.92Å
94	F	98.3	Very high	94.9	Very high	22 Å²	22	30.1 Å²	30.1	10%	0.096	16%	0.156	C	C	.	.	S	Bend	trans	-126.5	144.4	-179.6	-53.1	-73.4	0	0	0	109.9	Y51 F112 L293 L300	Y51-F94 PolarHBondContact O-N 3.5Å; F94-F112 WeakPolarHBondContact O-CZ 3.25Å; F94-L293 HydrophobicContact CD1-CD2 4.49Å; F94-L293 HydrophobicContact CE1-CD2 3.99Å; F94-L300 HydrophobicContact CB-CD1 3.38Å; F94-L300 HydrophobicContact CD1-CD1 4.31Å; F94-L300 HydrophobicContact CD2-CD1 4.13Å; F94-L300 HydrophobicContact CG-CD1 3.69Å
95	F	98.1	Very high	95.4	Very high	19 Å²	19	26.7 Å²	26.7	8%	0.083	14%	0.136	C	C	.	.			trans	-107.9	154.9	-178.3	-72.9	-101.8	0	0	0	111	F112 V116 Y211 S232 R304	F95-F112 HydrophobicContact CD1-CD1 4.18Å; F95-F112 AromaticContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CE1-CD1 4.18Å; F95-F112 HydrophobicContact CE1-CE1 4.02Å; F95-F112 HydrophobicContact CG-CE1 4.19Å; F95-V116 HydrophobicContact CE1-CG2 3.99Å; F95-Y211 AromaticContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE2 4.14Å; F95-Y211 AromaticContact CD1-CZ 3.65Å; F95-Y211 HydrophobicContact CE1-CE2 4.21Å; F95-S232 WeakPolarHBondContact O-CB 3.27Å; F95-R304 PolarHBondContact O-NH2 3.21Å
96	P	96.7	Very high	95.6	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.026	15%	0.149	C	C	.	.			trans	-61.6	164.3	167.3	27.2	-34.3	0	0	0	112.2	V99 E102 L103 S232	P96-V99 HydrophobicContact CG-CB 4.35Å; P96-V99 HydrophobicContact CG-CG1 3.72Å; P96-E102 WeakPolarHBondContact CA-OE2 3.29Å; P96-E102 HydrophobicContact CB-CB 3.77Å; P96-E102 HydrophobicContact CB-CG 4.29Å; P96-L103 HydrophobicContact CG-CD2 4.3Å; P96-S232 PolarHBondContact O-OG 3.26Å
97	E	93.7	Very high	95.8	Very high	35 Å²	35	30.5 Å²	30.5	16%	0.164	16%	0.155	C	C	.	.	S	Bend	trans	-83.5	-30.2	159.8	-74.6	174.4	-122.2	0	0	110.9	E102 V233 Y301 R304 R305	E97-E102 WeakPolarHBondContact CA-OE1 3.38Å; E97-E102 WeakPolarHBondContact CB-OE1 3.29Å; E97-E102 PolarHBondContact N-OE1 2.93Å; E97-V233 HydrophobicContact CG-CG2 3.89Å; E97-Y301 WeakPolarHBondContact OE1-CD2 3.44Å; E97-R304 WeakPolarHBondContact OE1-CD 3.41Å; E97-R304 IonicContact OE1-CZ 3.51Å; E97-R304 IonicContact OE1-NE 3.86Å; E97-R304 PolarHBondContact OE1-NE 3.04Å; E97-R304 IonicContact OE1-NH1 3.81Å; E97-R304 PolarHBondContact OE1-NH1 2.94Å; E97-R305 IonicContact OE1-CZ 2.64Å; E97-R305 IonicContact OE1-NH1 2.75Å; E97-R305 PolarHBondContact OE1-NH1 3.34Å; E97-R305 IonicContact OE1-NH2 3.69Å; E97-R305 IonicContact OE2-CZ 2.71Å; E97-R305 IonicContact OE2-NH1 2.75Å; E97-R305 PolarHBondContact OE2-NH1 3.11Å; E97-R305 IonicContact OE2-NH2 3.89Å; E97-R305 PolarHBondContact OE2-NH2 3.06Å
98	N	92.9	Very high	96	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	14%	0.139	C	C	.	.			trans	-143.9	116.2	167.8	178.7	-13.3	0	0	0	111.8	S100 E101 E102	N98-S100 PolarHBondContact O-N 3.3Å; N98-S100 VanDerWaalsContact O-N 3.12Å; N98-S100 PolarHBondContact OD1-N 3.07Å; N98-S100 PolarHBondContact OD1-OG 2.8Å; N98-E101 HydrophobicContact CB-CB 4.47Å; N98-E101 HydrophobicContact CB-CG 4.46Å; N98-E101 WeakPolarHBondContact ND2-CG 3.46Å; N98-E101 PolarHBondContact O-N 3.4Å; N98-E102 PolarHBondContact N-OE1 2.94Å; N98-E102 WeakPolarHBondContact O-CB 3.43Å; N98-E102 PolarHBondContact O-N 2.88Å
99	V	94.9	Very high	96	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-31.7	-176.3	-57.9	0	0	0	0	113.5	P96 L103 M199 L202 K203 Q206 Y211	P96-V99 HydrophobicContact CG-CB 4.35Å; P96-V99 HydrophobicContact CG-CG1 3.72Å; V99-L103 HydrophobicContact CB-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CD1 4.48Å; V99-L103 WeakPolarHBondContact O-CB 3.24Å; V99-L103 VanDerWaalsContact O-CG 3.32Å; V99-L103 WeakPolarHBondContact O-CG 3.47Å; V99-L103 PolarHBondContact O-N 2.88Å; V99-M199 HydrophobicContact CG2-SD 4.02Å; V99-L202 HydrophobicContact CB-CB 4.3Å; V99-L202 HydrophobicContact CG1-CB 4.26Å; V99-L202 HydrophobicContact CG2-CB 4.04Å; V99-K203 HydrophobicContact CG2-CB 4.46Å; V99-K203 HydrophobicContact CG2-CG 3.87Å; V99-Q206 HydrophobicContact CG1-CB 4.2Å; V99-Y211 WeakPolarHBondContact CG1-OH 3.31Å
100	S	90.9	Very high	96	Very high	46 Å²	46	28 Å²	28	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-87.2	-10.9	-171	64	0	0	0	0	114.9	N98	N98-S100 PolarHBondContact O-N 3.3Å; N98-S100 VanDerWaalsContact O-N 3.12Å; N98-S100 PolarHBondContact OD1-N 3.07Å; N98-S100 PolarHBondContact OD1-OG 2.8Å
101	E	89.7	Confident	96	Very high	104 Å²	104	28.2 Å²	28.2	49%	0.486	14%	0.137	S	C	.	.	H	α-helix	trans	-110	-22.3	177.2	-61.3	-76	-170.6	0	0	112.1	N98 N565	N98-E101 HydrophobicContact CB-CB 4.47Å; N98-E101 HydrophobicContact CB-CG 4.46Å; N98-E101 WeakPolarHBondContact ND2-CG 3.46Å; N98-E101 PolarHBondContact O-N 3.4Å; E101-N565 PolarHBondContact OE1-ND2 2.68Å
102	E	94.5	Very high	96.1	Very high	25 Å²	25	25.8 Å²	25.8	12%	0.117	13%	0.128	C	C	.	.	H	α-helix	trans	-108.3	-20.6	-171.3	-84.9	-179.9	-105	0	0	116.2	Y51 P96 E97 N98 R304	Y51-E102 PolarHBondContact OH-O 2.92Å; P96-E102 WeakPolarHBondContact CA-OE2 3.29Å; P96-E102 HydrophobicContact CB-CB 3.77Å; P96-E102 HydrophobicContact CB-CG 4.29Å; E97-E102 WeakPolarHBondContact CA-OE1 3.38Å; E97-E102 WeakPolarHBondContact CB-OE1 3.29Å; E97-E102 PolarHBondContact N-OE1 2.93Å; N98-E102 PolarHBondContact N-OE1 2.94Å; N98-E102 WeakPolarHBondContact O-CB 3.43Å; N98-E102 PolarHBondContact O-N 2.88Å; E102-R304 VanDerWaalsContact CD-NE 3.27Å; E102-R304 IonicContact OE1-NE 3.84Å; E102-R304 PolarHBondContact OE1-NE 3.37Å; E102-R304 IonicContact OE2-CZ 2.74Å; E102-R304 VanDerWaalsContact OE2-CZ 3.22Å; E102-R304 IonicContact OE2-NE 3.09Å; E102-R304 PolarHBondContact OE2-NE 3.38Å; E102-R304 IonicContact OE2-NH2 3.7Å; E102-R304 PolarHBondContact OE2-NH2 3.06Å
103	L	97.2	Very high	96.1	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.089	13%	0.128	C	C	.	.			trans	-95.6	119.9	178.7	-54.8	-175.7	0	0	0	109.5	Y51 P96 V99 T108 F112 L202	Y51-L103 HydrophobicContact CD2-CD2 4.34Å; Y51-L103 HydrophobicContact CE2-CD2 3.78Å; P96-L103 HydrophobicContact CG-CD2 4.3Å; V99-L103 HydrophobicContact CB-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CD1 4.48Å; V99-L103 WeakPolarHBondContact O-CB 3.24Å; V99-L103 VanDerWaalsContact O-CG 3.32Å; V99-L103 WeakPolarHBondContact O-CG 3.47Å; V99-L103 PolarHBondContact O-N 2.88Å; L103-T108 HydrophobicContact CD2-CG2 4.02Å; L103-F112 HydrophobicContact CD1-CB 4.35Å; L103-F112 HydrophobicContact CD1-CD2 3.97Å; L103-F112 HydrophobicContact CD1-CG 4.28Å; L103-F112 HydrophobicContact CD2-CD2 3.75Å; L103-F112 HydrophobicContact CD2-CE2 3.61Å; L103-F112 HydrophobicContact CD2-CZ 4.46Å; L103-L202 HydrophobicContact CD1-CD1 4.07Å
104	I	96.8	Very high	96.1	Very high	24 Å²	24	25.8 Å²	25.8	12%	0.123	13%	0.128	C	C	.	.			trans	-107.3	-39.1	-166.7	-52	164.9	0	0	0	112.2	E48 I312 M315 K316 A319	E48-I104 PolarHBondContact OE1-N 2.91Å; E48-I104 PolarHBondContact OE2-N 3.5Å; I104-I312 HydrophobicContact CD1-CG2 3.99Å; I104-M315 HydrophobicContact CD1-CB 4.36Å; I104-M315 HydrophobicContact CD1-CE 4.28Å; I104-M315 HydrophobicContact CG2-CB 3.9Å; I104-M315 WeakPolarHBondContact CG2-O 3.12Å; I104-K316 HydrophobicContact CD1-CG 3.85Å; I104-K316 HydrophobicContact CG1-CG 3.94Å; I104-K316 HydrophobicContact CG2-CG 4.15Å; I104-A319 HydrophobicContact CG2-CB 3.84Å; I104-A319 WeakPolarHBondContact O-CB 3.47Å
105	Q	95.9	Very high	96.1	Very high	43 Å²	43	25.8 Å²	25.8	20%	0.201	13%	0.129	C	C	.	.	S	Bend	trans	-102.3	142.9	-178.4	-56	-178.3	-99.8	0	0	112.1	G45 E48 I107 T108 Q109 M315	G45-Q105 PolarHBondContact O-NE2 2.88Å; E48-Q105 WeakPolarHBondContact OE2-CB 3.12Å; E48-Q105 WeakPolarHBondContact OE2-CG 3.35Å; E48-Q105 PolarHBondContact OE2-N 3.47Å; Q105-I107 VanDerWaalsContact C-N 3.28Å; Q105-I107 HydrophobicContact CB-CG2 4.03Å; Q105-I107 PolarHBondContact O-N 2.95Å; Q105-T108 WeakPolarHBondContact O-CB 3.32Å; Q105-T108 PolarHBondContact O-N 3.01Å; Q105-T108 VanDerWaalsContact O-N 3.08Å; Q105-Q109 PolarHBondContact O-N 3.09Å; Q105-M315 HydrophobicContact CG-CE 4.29Å
106	E	95.4	Very high	96.1	Very high	75 Å²	75	25 Å²	25	35%	0.35	13%	0.125	S	C	.	.	H	α-helix	trans	-59.7	-34.9	176.8	-68.8	167.8	-167.7	0	0	112.5	Q109 H110 D195 R326	E106-Q109 PolarHBondContact O-N 3.43Å; E106-H110 WeakPolarHBondContact O-CB 3.39Å; E106-H110 PolarHBondContact O-N 3.14Å; E106-D195 HydrophobicContact CG-CB 4.15Å; E106-R326 IonicContact OE1-CZ 3.16Å; E106-R326 IonicContact OE1-NE 2.62Å; E106-R326 IonicContact OE1-NH1 3.84Å; E106-R326 PolarHBondContact OE1-NH1 2.97Å; E106-R326 IonicContact OE1-NH2 3.22Å; E106-R326 PolarHBondContact OE1-NH2 3.29Å; E106-R326 IonicContact OE2-CZ 3.4Å; E106-R326 VanDerWaalsContact OE2-CZ 3.24Å; E106-R326 IonicContact OE2-NH1 3.96Å; E106-R326 PolarHBondContact OE2-NH1 3.03Å; E106-R326 IonicContact OE2-NH2 2.73Å; E106-R326 PolarHBondContact OE2-NH2 3.17Å
107	I	96.3	Very high	96.2	Very high	46 Å²	46	27.1 Å²	27.1	24%	0.236	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-40.2	174.1	-176.4	60	0	0	0	112.7	L46 Q105 H110 L111	L46-I107 HydrophobicContact CB-CG2 4.21Å; L46-I107 HydrophobicContact CD1-CG1 4.49Å; L46-I107 HydrophobicContact CD1-CG2 4.48Å; Q105-I107 VanDerWaalsContact C-N 3.28Å; Q105-I107 HydrophobicContact CB-CG2 4.03Å; Q105-I107 PolarHBondContact O-N 2.95Å; I107-H110 PolarHBondContact O-N 2.97Å; I107-L111 HydrophobicContact CD1-CD1 4.2Å; I107-L111 HydrophobicContact CD1-CG 4.22Å; I107-L111 HydrophobicContact CG1-CD1 4.19Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 2.9Å; I107-L111 VanDerWaalsContact O-N 3.1Å
108	T	97.8	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-47.8	176.2	-53.2	0	0	0	0	110	E48 Y51 F52 L103 Q105 L111 F112	E48-T108 HydrophobicContact CB-CG2 3.94Å; E48-T108 HydrophobicContact CG-CG2 4.47Å; E48-T108 WeakPolarHBondContact OE2-CB 3.42Å; E48-T108 WeakPolarHBondContact OE2-CG2 3.27Å; E48-T108 PolarHBondContact OE2-OG1 3.34Å; Y51-T108 HydrophobicContact CD2-CG2 4.07Å; Y51-T108 HydrophobicContact CE2-CG2 4.32Å; F52-T108 HydrophobicContact CE2-CG2 3.98Å; F52-T108 HydrophobicContact CZ-CG2 4.09Å; L103-T108 HydrophobicContact CD2-CG2 4.02Å; Q105-T108 WeakPolarHBondContact O-CB 3.32Å; Q105-T108 PolarHBondContact O-N 3.01Å; Q105-T108 VanDerWaalsContact O-N 3.08Å; T108-L111 PolarHBondContact O-N 3.32Å; T108-F112 HydrophobicContact CG2-CD2 4.11Å; T108-F112 HydrophobicContact CG2-CE2 4.17Å; T108-F112 WeakPolarHBondContact O-CD2 3.45Å; T108-F112 PolarHBondContact O-N 2.87Å; T108-F112 VanDerWaalsContact O-N 3.1Å
109	Q	98	Very high	96.6	Very high	13 Å²	13	29.5 Å²	29.5	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-45.6	177.2	-169.6	-168.7	-84.2	0	0	111.7	Q105 E106 L111 F112 F113 D195 M199 L202	Q105-Q109 PolarHBondContact O-N 3.09Å; E106-Q109 PolarHBondContact O-N 3.43Å; Q109-L111 PolarHBondContact O-N 2.6Å; Q109-F112 PolarHBondContact O-N 3.37Å; Q109-F113 WeakPolarHBondContact O-CB 3.47Å; Q109-F113 PolarHBondContact O-N 2.97Å; Q109-D195 PolarHBondContact NE2-O 3.33Å; Q109-M199 HydrophobicContact CG-CE 4.18Å; Q109-L202 HydrophobicContact CG-CD1 3.91Å
110	H	98.1	Very high	96.7	Very high	21 Å²	21	29.6 Å²	29.6	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-45.4	-179.6	-169.9	53.4	0	0	0	112.2	D20 E106 I107 F112 F113 L114 R194 E198	D20-H110 IonicContact OD2-CD2 2.74Å; E106-H110 WeakPolarHBondContact O-CB 3.39Å; E106-H110 PolarHBondContact O-N 3.14Å; I107-H110 PolarHBondContact O-N 2.97Å; H110-F112 PolarHBondContact O-N 3.41Å; H110-F113 AromaticContact ND1-CD1 3.94Å; H110-F113 WeakPolarHBondContact O-CB 3.18Å; H110-F113 PolarHBondContact O-N 3.5Å; H110-L114 WeakPolarHBondContact NE2-CD1 3.43Å; H110-L114 WeakPolarHBondContact O-CG 3.41Å; H110-L114 PolarHBondContact O-N 3.45Å; H110-R194 PolarHBondContact CE1-NH2 3.48Å; H110-R194 PolarHBondContact ND1-NH2 3.31Å; H110-R194 PolarHBondContact NE2-NH2 2.64Å; H110-E198 VanDerWaalsContact CA-OE2 3.3Å; H110-E198 WeakPolarHBondContact CA-OE2 3.29Å; H110-E198 WeakPolarHBondContact CB-OE2 3.27Å; H110-E198 IonicContact CE1-OE1 2.76Å; H110-E198 PolarHBondContact CE1-OE1 2.84Å; H110-E198 IonicContact CG-OE1 3.57Å; H110-E198 IonicContact CG-OE2 2.66Å; H110-E198 IonicContact ND1-OE1 2.66Å; H110-E198 PolarHBondContact ND1-OE1 3.48Å; H110-E198 IonicContact ND1-OE2 2.63Å; H110-E198 PolarHBondContact ND1-OE2 2.94Å
111	L	98.2	Very high	97	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-37	178.3	-67.7	172.1	0	0	0	112.4	T18 I44 L46 F52 F90 I107 T108 Q109 Q115	T18-L111 HydrophobicContact CG2-CD2 4.19Å; I44-L111 HydrophobicContact CD1-CD1 4.01Å; L46-L111 HydrophobicContact CD1-CD1 3.83Å; F52-L111 HydrophobicContact CE1-CB 3.98Å; F52-L111 HydrophobicContact CE1-CD1 4.21Å; F52-L111 HydrophobicContact CZ-CB 4.29Å; F52-L111 HydrophobicContact CZ-CD1 4.47Å; F90-L111 HydrophobicContact CD1-CD1 4.41Å; F90-L111 HydrophobicContact CE1-CD1 4.01Å; I107-L111 HydrophobicContact CD1-CD1 4.2Å; I107-L111 HydrophobicContact CD1-CG 4.22Å; I107-L111 HydrophobicContact CG1-CD1 4.19Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 2.9Å; I107-L111 VanDerWaalsContact O-N 3.1Å; T108-L111 PolarHBondContact O-N 3.32Å; Q109-L111 PolarHBondContact O-N 2.6Å; L111-Q115 WeakPolarHBondContact O-CB 3.34Å; L111-Q115 PolarHBondContact O-N 2.94Å; L111-Q115 VanDerWaalsContact O-N 3.1Å
112	F	98.6	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-45.8	170.2	-93.1	-72.7	0	0	0	111.9	Y51 F52 A92 F94 F95 L103 T108 Q109 H110 L114 Q115 V116 L202	Y51-F112 HydrophobicContact CD1-CE2 4.39Å; Y51-F112 HydrophobicContact CD1-CZ 4.09Å; Y51-F112 AromaticContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CZ 4.3Å; Y51-F112 HydrophobicContact CE2-CE2 4.44Å; Y51-F112 AromaticContact CG-CE2 3.77Å; Y51-F112 HydrophobicContact CG-CE2 3.77Å; Y51-F112 AromaticContact CG-CZ 3.81Å; Y51-F112 HydrophobicContact CG-CZ 3.81Å; F52-F112 HydrophobicContact CZ-CD2 4.3Å; F52-F112 HydrophobicContact CZ-CE2 4.18Å; A92-F112 HydrophobicContact CB-CD1 4.07Å; A92-F112 HydrophobicContact CB-CE1 3.59Å; A92-F112 HydrophobicContact CB-CE2 4.47Å; A92-F112 HydrophobicContact CB-CZ 3.82Å; F94-F112 WeakPolarHBondContact O-CZ 3.25Å; F95-F112 HydrophobicContact CD1-CD1 4.18Å; F95-F112 AromaticContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CE1-CD1 4.18Å; F95-F112 HydrophobicContact CE1-CE1 4.02Å; F95-F112 HydrophobicContact CG-CE1 4.19Å; L103-F112 HydrophobicContact CD1-CB 4.35Å; L103-F112 HydrophobicContact CD1-CD2 3.97Å; L103-F112 HydrophobicContact CD1-CG 4.28Å; L103-F112 HydrophobicContact CD2-CD2 3.75Å; L103-F112 HydrophobicContact CD2-CE2 3.61Å; L103-F112 HydrophobicContact CD2-CZ 4.46Å; T108-F112 HydrophobicContact CG2-CD2 4.11Å; T108-F112 HydrophobicContact CG2-CE2 4.17Å; T108-F112 WeakPolarHBondContact O-CD2 3.45Å; T108-F112 PolarHBondContact O-N 2.87Å; T108-F112 VanDerWaalsContact O-N 3.1Å; Q109-F112 PolarHBondContact O-N 3.37Å; H110-F112 PolarHBondContact O-N 3.41Å; F112-L114 PolarHBondContact O-N 3.43Å; F112-Q115 PolarHBondContact O-N 3.49Å; F112-V116 WeakPolarHBondContact O-CB 3.28Å; F112-V116 WeakPolarHBondContact O-CG2 3.38Å; F112-V116 PolarHBondContact O-N 2.9Å; F112-L202 HydrophobicContact CB-CD1 3.91Å; F112-L202 HydrophobicContact CB-CD2 4.14Å
113	F	98.6	Very high	97.2	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-56.5	-50.7	177.1	156.6	-99.4	0	0	0	111.1	Q109 H110 Q115 V116 K117 A139 V142 E198 Y201 L202	Q109-F113 WeakPolarHBondContact O-CB 3.47Å; Q109-F113 PolarHBondContact O-N 2.97Å; H110-F113 AromaticContact ND1-CD1 3.94Å; H110-F113 WeakPolarHBondContact O-CB 3.18Å; H110-F113 PolarHBondContact O-N 3.5Å; F113-Q115 PolarHBondContact O-N 2.65Å; F113-V116 PolarHBondContact O-N 2.97Å; F113-K117 HydrophobicContact CZ-CD 4.06Å; F113-K117 WeakPolarHBondContact O-CB 3.2Å; F113-K117 PolarHBondContact O-N 2.87Å; F113-A139 HydrophobicContact CE2-CB 4.37Å; F113-A139 HydrophobicContact CZ-CB 4.26Å; F113-V142 HydrophobicContact CD1-CG1 4.37Å; F113-V142 HydrophobicContact CE1-CB 4.04Å; F113-V142 HydrophobicContact CE1-CG1 3.61Å; F113-V142 HydrophobicContact CE1-CG2 4.11Å; F113-V142 HydrophobicContact CE2-CG2 4.03Å; F113-V142 HydrophobicContact CZ-CB 3.82Å; F113-V142 HydrophobicContact CZ-CG1 3.94Å; F113-V142 HydrophobicContact CZ-CG2 3.68Å; F113-E198 HydrophobicContact CB-CB 4.16Å; F113-E198 HydrophobicContact CB-CG 4.23Å; F113-E198 HydrophobicContact CD1-CG 3.93Å; F113-E198 HydrophobicContact CD2-CB 4.47Å; F113-E198 HydrophobicContact CD2-CG 4.23Å; F113-E198 HydrophobicContact CE1-CG 4.4Å; F113-E198 HydrophobicContact CG-CB 4.2Å; F113-E198 HydrophobicContact CG-CG 3.85Å; F113-Y201 AromaticContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD2 4.07Å; F113-Y201 HydrophobicContact CD2-CE1 4.32Å; F113-Y201 AromaticContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CE2-CD1 4.18Å; F113-Y201 AromaticContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CE2 4.04Å; F113-Y201 AromaticContact CE2-CG 3.78Å; F113-Y201 HydrophobicContact CE2-CG 3.78Å; F113-L202 HydrophobicContact CB-CD1 4.31Å; F113-L202 HydrophobicContact CB-CG 4.36Å
114	L	98	Very high	97.1	Very high	24 Å²	24	32 Å²	32	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-45.3	-179.9	-69.4	177.3	0	0	0	112.3	F19 D20 H110 F112 Q118	F19-L114 HydrophobicContact CB-CB 3.63Å; F19-L114 HydrophobicContact CB-CD1 3.68Å; F19-L114 HydrophobicContact CB-CG 4.23Å; F19-L114 HydrophobicContact CD2-CB 4.2Å; F19-L114 HydrophobicContact CG-CB 4.04Å; D20-L114 HydrophobicContact CB-CD1 3.71Å; H110-L114 WeakPolarHBondContact NE2-CD1 3.43Å; H110-L114 WeakPolarHBondContact O-CG 3.41Å; H110-L114 PolarHBondContact O-N 3.45Å; F112-L114 PolarHBondContact O-N 3.43Å; L114-Q118 PolarHBondContact O-N 3.3Å
115	Q	98.2	Very high	97.1	Very high	23 Å²	23	31.4 Å²	31.4	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-46.6	179.9	-174.2	168.9	-36.4	0	0	111.9	F19 A92 L111 F112 F113 Q118 S119	F19-Q115 HydrophobicContact CD2-CB 4.05Å; F19-Q115 VanDerWaalsContact CE2-CA 3.47Å; F19-Q115 HydrophobicContact CE2-CB 3.44Å; F19-Q115 VanDerWaalsContact CE2-CB 3.44Å; F19-Q115 HydrophobicContact CE2-CG 3.65Å; F19-Q115 HydrophobicContact CZ-CB 4.16Å; F19-Q115 HydrophobicContact CZ-CG 4.04Å; A92-Q115 PolarHBondContact O-NE2 3.24Å; L111-Q115 WeakPolarHBondContact O-CB 3.34Å; L111-Q115 PolarHBondContact O-N 2.94Å; L111-Q115 VanDerWaalsContact O-N 3.1Å; F112-Q115 PolarHBondContact O-N 3.49Å; F113-Q115 PolarHBondContact O-N 2.65Å; Q115-Q118 PolarHBondContact O-N 2.94Å; Q115-S119 PolarHBondContact O-N 2.71Å; Q115-S119 PolarHBondContact O-OG 3.43Å
116	V	98.4	Very high	97.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-39.6	-179.9	176	0	0	0	0	110.7	F95 F112 F113 Q118 S119 I120 I125 Y201 L202 A205 Y211	F95-V116 HydrophobicContact CE1-CG2 3.99Å; F112-V116 WeakPolarHBondContact O-CB 3.28Å; F112-V116 WeakPolarHBondContact O-CG2 3.38Å; F112-V116 PolarHBondContact O-N 2.9Å; F113-V116 PolarHBondContact O-N 2.97Å; V116-Q118 PolarHBondContact O-N 3.4Å; V116-S119 PolarHBondContact O-N 2.91Å; V116-I120 HydrophobicContact CG1-CD1 4.04Å; V116-I120 WeakPolarHBondContact O-CG1 3.46Å; V116-I120 PolarHBondContact O-N 3.35Å; V116-I125 HydrophobicContact CG1-CD1 4.48Å; V116-Y201 HydrophobicContact CG1-CE1 4.24Å; V116-L202 HydrophobicContact CB-CD2 4.1Å; V116-L202 HydrophobicContact CG1-CD2 4.46Å; V116-L202 HydrophobicContact CG2-CD2 3.91Å; V116-A205 HydrophobicContact CG1-CB 3.58Å; V116-Y211 HydrophobicContact CG1-CD2 4.08Å; V116-Y211 HydrophobicContact CG1-CE2 4.04Å; V116-Y211 HydrophobicContact CG2-CD2 4.32Å; V116-Y211 HydrophobicContact CG2-CE2 3.72Å
117	K	98	Very high	97.2	Very high	50 Å²	50	26.2 Å²	26.2	22%	0.217	14%	0.137	C	C	.	.	H	α-helix	trans	-57.6	-47.6	171.8	-173.1	-165.4	73.1	70.3	0	111.3	F113 I120 L121 A139 Y201	F113-K117 HydrophobicContact CZ-CD 4.06Å; F113-K117 WeakPolarHBondContact O-CB 3.2Å; F113-K117 PolarHBondContact O-N 2.87Å; K117-I120 PolarHBondContact O-N 3.36Å; K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact NZ-CD1 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.41Å; K117-L121 PolarHBondContact O-N 3.41Å; K117-A139 HydrophobicContact CD-CB 4Å; K117-Y201 WeakPolarHBondContact CA-OH 2.85Å; K117-Y201 HydrophobicContact CB-CE1 4.35Å
118	Q	97.1	Very high	97.2	Very high	71 Å²	71	27.4 Å²	27.4	33%	0.332	14%	0.139	S	C	.	.	H	α-helix	trans	-64.6	-43.2	179.1	-166.7	60.9	29.5	0	0	111.8	F19 L114 Q115 V116 I120 L121 S122	F19-Q118 HydrophobicContact CD1-CB 4.37Å; F19-Q118 HydrophobicContact CE1-CB 3.82Å; F19-Q118 HydrophobicContact CE1-CG 3.93Å; F19-Q118 HydrophobicContact CZ-CB 4.34Å; L114-Q118 PolarHBondContact O-N 3.3Å; Q115-Q118 PolarHBondContact O-N 2.94Å; V116-Q118 PolarHBondContact O-N 3.4Å; Q118-I120 PolarHBondContact O-N 2.83Å; Q118-L121 PolarHBondContact O-N 2.98Å; Q118-S122 WeakPolarHBondContact O-CB 3.36Å; Q118-S122 PolarHBondContact O-N 2.92Å; Q118-S122 PolarHBondContact O-OG 3.5Å; Q118-S122 VanDerWaalsContact O-OG 3.06Å
119	S	97.3	Very high	97.1	Very high	25 Å²	25	27.7 Å²	27.7	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-27.6	177.5	-61.1	0	0	0	0	113.8	Q115 V116 S122 D124 I125	Q115-S119 PolarHBondContact O-N 2.71Å; Q115-S119 PolarHBondContact O-OG 3.43Å; V116-S119 PolarHBondContact O-N 2.91Å; S119-S122 WeakPolarHBondContact CA-OG 3.38Å; S119-S122 PolarHBondContact O-OG 3.39Å; S119-D124 PolarHBondContact O-N 2.89Å; S119-I125 PolarHBondContact O-N 3.47Å
120	I	97.9	Very high	97	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-77	-45.9	173.2	-72.1	169.4	0	0	0	110.4	V116 K117 Q118 S122 M123 I125 C127 L135 P164 Y201 A205 L208	V116-I120 HydrophobicContact CG1-CD1 4.04Å; V116-I120 WeakPolarHBondContact O-CG1 3.46Å; V116-I120 PolarHBondContact O-N 3.35Å; K117-I120 PolarHBondContact O-N 3.36Å; Q118-I120 PolarHBondContact O-N 2.83Å; I120-S122 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 3.38Å; I120-M123 PolarHBondContact O-N 2.8Å; I120-I125 HydrophobicContact CG1-CB 4.01Å; I120-I125 HydrophobicContact CG1-CG2 4.03Å; I120-C127 HydrophobicContact CG1-CB 4.49Å; I120-C127 HydrophobicContact CG2-CB 3.73Å; I120-L135 HydrophobicContact CD1-CD1 3.78Å; I120-P164 HydrophobicContact CG2-CG 4.08Å; I120-P164 WeakPolarHBondContact O-CG 3.29Å; I120-Y201 HydrophobicContact CD1-CE1 4.44Å; I120-A205 HydrophobicContact CD1-CB 4.15Å; I120-L208 HydrophobicContact CD1-CD1 3.73Å; I120-L208 HydrophobicContact CG1-CD1 4.22Å
121	L	96.8	Very high	96.8	Very high	24 Å²	24	26.5 Å²	26.5	13%	0.126	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-35.3	178.8	-68	169.7	0	0	0	112.9	K117 Q118 M123 E161	K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact NZ-CD1 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.41Å; K117-L121 PolarHBondContact O-N 3.41Å; Q118-L121 PolarHBondContact O-N 2.98Å; L121-M123 VanDerWaalsContact C-N 3.27Å; L121-M123 PolarHBondContact O-N 3.11Å; L121-E161 WeakPolarHBondContact CD1-O 3.48Å; L121-E161 WeakPolarHBondContact CD2-O 3.39Å
122	S	95.2	Very high	96.8	Very high	55 Å²	55	26.4 Å²	26.4	39%	0.385	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-6.5	174.3	61.8	0	0	0	0	114.5	Q118 S119 I120 D124	Q118-S122 WeakPolarHBondContact O-CB 3.36Å; Q118-S122 PolarHBondContact O-N 2.92Å; Q118-S122 PolarHBondContact O-OG 3.5Å; Q118-S122 VanDerWaalsContact O-OG 3.06Å; S119-S122 WeakPolarHBondContact CA-OG 3.38Å; S119-S122 PolarHBondContact O-OG 3.39Å; I120-S122 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 3.38Å; S122-D124 WeakPolarHBondContact CB-OD2 3.49Å; S122-D124 PolarHBondContact O-N 3.22Å; S122-D124 PolarHBondContact OG-N 3.38Å; S122-D124 PolarHBondContact OG-OD2 2.85Å
123	M	93.4	Very high	96.7	Very high	53 Å²	53	26.4 Å²	26.4	26%	0.261	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	18.6	-170	-60.6	-74.3	-73.3	0	0	115	I120 L121 I125 Y126 P164	I120-M123 PolarHBondContact O-N 2.8Å; L121-M123 VanDerWaalsContact C-N 3.27Å; L121-M123 PolarHBondContact O-N 3.11Å; M123-I125 VanDerWaalsContact C-N 3.28Å; M123-Y126 HydrophobicContact CE-CD2 4.02Å; M123-Y126 HydrophobicContact CE-CE2 4.46Å; M123-P164 HydrophobicContact CG-CB 3.88Å; M123-P164 HydrophobicContact SD-CB 3.43Å; M123-P164 WeakPolarHBondContact SD-CB 3.36Å; M123-P164 HydrophobicContact SD-CG 4.08Å
124	D	95.4	Very high	96.5	Very high	111 Å²	111	26.2 Å²	26.2	59%	0.594	14%	0.135	S	C	*	.	S	Bend	trans	-66.4	-33.4	169	-71.4	-58.6	0	0	0	111.6	S119 S122 M210	S119-D124 PolarHBondContact O-N 2.89Å; S122-D124 WeakPolarHBondContact CB-OD2 3.49Å; S122-D124 PolarHBondContact O-N 3.22Å; S122-D124 PolarHBondContact OG-N 3.38Å; S122-D124 PolarHBondContact OG-OD2 2.85Å; D124-M210 WeakPolarHBondContact O-CE 3.25Å
125	I	97.6	Very high	96.5	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.056	13%	0.129	C	C	.	.	S	Bend	trans	-109.4	112.5	165.7	-63.5	172.8	0	0	0	107.3	V116 S119 I120 M123 C127 L208 M210 Y211	V116-I125 HydrophobicContact CG1-CD1 4.48Å; S119-I125 PolarHBondContact O-N 3.47Å; I120-I125 HydrophobicContact CG1-CB 4.01Å; I120-I125 HydrophobicContact CG1-CG2 4.03Å; M123-I125 VanDerWaalsContact C-N 3.28Å; I125-C127 PolarHBondContact O-N 3.43Å; I125-L208 HydrophobicContact CG2-CB 4.09Å; I125-L208 HydrophobicContact CG2-CD1 3.78Å; I125-M210 HydrophobicContact CG2-CB 4.27Å; I125-Y211 HydrophobicContact CD1-CD2 4.4Å
126	Y	97.1	Very high	96.5	Very high	9 Å²	9	24.2 Å²	24.2	4%	0.035	13%	0.125	C	C	.	.			trans	-60.1	128.6	171.8	175.6	-100.1	0	0	0	111	M123 R128 M210 L244 L599 D600	M123-Y126 HydrophobicContact CE-CD2 4.02Å; M123-Y126 HydrophobicContact CE-CE2 4.46Å; Y126-R128 HydrophobicContact CE1-CG 3.9Å; Y126-M210 WeakPolarHBondContact CB-SD 3.16Å; Y126-L244 HydrophobicContact CD1-CD1 4.11Å; Y126-L244 HydrophobicContact CD1-CD2 3.98Å; Y126-L244 HydrophobicContact CE1-CD1 4.32Å; Y126-L244 HydrophobicContact CG-CD2 4.29Å; Y126-L599 HydrophobicContact CD2-CB 3.6Å; Y126-L599 HydrophobicContact CD2-CD1 4.06Å; Y126-L599 HydrophobicContact CD2-CG 4.47Å; Y126-L599 HydrophobicContact CE2-CB 3.83Å; Y126-L599 HydrophobicContact CG-CB 4.01Å; Y126-L599 HydrophobicContact CG-CD1 4.32Å; Y126-D600 VanDerWaalsContact CE2-OD1 3.31Å; Y126-D600 WeakPolarHBondContact CE2-OD1 3.09Å; Y126-D600 WeakPolarHBondContact OH-CA 3.39Å; Y126-D600 PolarHBondContact OH-OD1 3.2Å
127	C	96.3	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.			trans	-128.8	135.3	173.7	-163.5	0	0	0	0	109.3	I120 I125 L208	I120-C127 HydrophobicContact CG1-CB 4.49Å; I120-C127 HydrophobicContact CG2-CB 3.73Å; I125-C127 PolarHBondContact O-N 3.43Å; C127-L208 HydrophobicContact CB-CD1 4.04Å; C127-L208 HydrophobicContact CB-CD2 4.49Å
128	R	95.3	Very high	96.3	Very high	71 Å²	71	22.2 Å²	22.2	27%	0.268	12%	0.116	S	C	.	.			trans	-65.7	153	177.5	-78.2	-177.3	-78	132.2	-4.6	111.3	Y126 E130 A131 S132 S603	Y126-R128 HydrophobicContact CE1-CG 3.9Å; R128-E130 IonicContact CZ-OE1 2.67Å; R128-E130 IonicContact NH1-OE1 3.45Å; R128-E130 PolarHBondContact NH1-OE1 2.78Å; R128-E130 PolarHBondContact O-N 2.9Å; R128-A131 HydrophobicContact CB-CB 4.4Å; R128-A131 PolarHBondContact O-N 3.2Å; R128-A131 VanDerWaalsContact O-N 3.12Å; R128-S132 WeakPolarHBondContact O-CB 3.44Å; R128-S132 PolarHBondContact O-N 3.34Å; R128-S132 PolarHBondContact O-OG 2.85Å; R128-S603 WeakPolarHBondContact CD-OG 3.47Å
129	P	95.7	Very high	96.3	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.039	10%	0.104	C	C	.	.	H	α-helix	trans	-51	-50	178	-31.8	38.9	0	0	0	114.5	A131 S132 V133 V167 Y171 I587	P129-A131 VanDerWaalsContact C-N 3.32Å; P129-A131 PolarHBondContact O-N 2.78Å; P129-S132 WeakPolarHBondContact O-CB 3.47Å; P129-S132 PolarHBondContact O-N 3.09Å; P129-V133 PolarHBondContact O-N 3.47Å; P129-V133 VanDerWaalsContact O-N 3.12Å; P129-V167 HydrophobicContact CB-CG1 3.82Å; P129-V167 HydrophobicContact CG-CG1 4.17Å; P129-V167 HydrophobicContact CG-CG2 4.47Å; P129-Y171 HydrophobicContact CB-CE2 3.73Å; P129-Y171 WeakPolarHBondContact CB-OH 3.19Å; P129-Y171 HydrophobicContact CG-CE2 3.74Å; P129-Y171 WeakPolarHBondContact CG-OH 3.34Å; P129-I587 HydrophobicContact CB-CD1 3.63Å
130	E	95	Very high	96.2	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-33.3	179.6	65.7	-85.7	-158.6	0	0	113.2	R128 L134 L580 L583 R584 I587	R128-E130 IonicContact CZ-OE1 2.67Å; R128-E130 IonicContact NH1-OE1 3.45Å; R128-E130 PolarHBondContact NH1-OE1 2.78Å; R128-E130 PolarHBondContact O-N 2.9Å; E130-L134 PolarHBondContact O-N 3.32Å; E130-L580 HydrophobicContact CG-CB 4.41Å; E130-L580 HydrophobicContact CG-CD2 4.21Å; E130-L583 HydrophobicContact CB-CB 3.85Å; E130-L583 WeakPolarHBondContact O-CD1 2.94Å; E130-R584 HydrophobicContact CB-CB 3.95Å; E130-R584 HydrophobicContact CG-CB 3.98Å; E130-R584 HydrophobicContact CG-CG 4.45Å; E130-R584 WeakPolarHBondContact OE1-CD 3.48Å; E130-R584 IonicContact OE1-NE 3.91Å; E130-I587 HydrophobicContact CB-CD1 4.35Å
131	A	95.5	Very high	96.1	Very high	3 Å²	3	18 Å²	18	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-75.2	-34.6	175.7	0	0	0	0	0	111.6	R128 P129 L134 L135 L580	R128-A131 HydrophobicContact CB-CB 4.4Å; R128-A131 PolarHBondContact O-N 3.2Å; R128-A131 VanDerWaalsContact O-N 3.12Å; P129-A131 VanDerWaalsContact C-N 3.32Å; P129-A131 PolarHBondContact O-N 2.78Å; A131-L134 PolarHBondContact O-N 2.93Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 VanDerWaalsContact O-CG 3.28Å; A131-L135 WeakPolarHBondContact O-CG 3.38Å; A131-L135 PolarHBondContact O-N 3.09Å; A131-L580 HydrophobicContact CB-CD2 4.02Å
132	S	97.1	Very high	96	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.028	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-41.8	177.1	-59	0	0	0	0	111.6	R128 P129 A136	R128-S132 WeakPolarHBondContact O-CB 3.44Å; R128-S132 PolarHBondContact O-N 3.34Å; R128-S132 PolarHBondContact O-OG 2.85Å; P129-S132 WeakPolarHBondContact O-CB 3.47Å; P129-S132 PolarHBondContact O-N 3.09Å; S132-A136 VanDerWaalsContact O-CB 3.24Å; S132-A136 WeakPolarHBondContact O-CB 3.17Å; S132-A136 PolarHBondContact O-N 2.95Å
133	V	96.4	Very high	95.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.4	-42.3	175.7	179.1	0	0	0	0	112.1	P129 A136 S137 L163 W178 R181 I182 L583	P129-V133 PolarHBondContact O-N 3.47Å; P129-V133 VanDerWaalsContact O-N 3.12Å; V133-A136 WeakPolarHBondContact O-CB 3.36Å; V133-A136 PolarHBondContact O-N 3.49Å; V133-S137 PolarHBondContact O-N 2.87Å; V133-S137 VanDerWaalsContact O-N 3.1Å; V133-L163 HydrophobicContact CG2-CD1 4.44Å; V133-L163 HydrophobicContact CG2-CD2 4.06Å; V133-W178 HydrophobicContact CG2-CE3 3.89Å; V133-W178 HydrophobicContact CG2-CZ3 3.56Å; V133-R181 HydrophobicContact CG1-CB 3.97Å; V133-I182 HydrophobicContact CG1-CG1 4.02Å; V133-L583 HydrophobicContact CB-CD1 4.23Å; V133-L583 HydrophobicContact CB-CD2 3.99Å; V133-L583 HydrophobicContact CG1-CD1 4.24Å; V133-L583 HydrophobicContact CG1-CD2 3.53Å
134	L	95.9	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-42.3	177.8	-175.2	58.6	0	0	0	111.8	E130 A131 A136 S137 Y138 W185 I204 V576 Q579 L580 L583	E130-L134 PolarHBondContact O-N 3.32Å; A131-L134 PolarHBondContact O-N 2.93Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-A136 PolarHBondContact O-N 3.38Å; L134-S137 PolarHBondContact O-N 3.28Å; L134-S137 PolarHBondContact O-OG 3.1Å; L134-Y138 HydrophobicContact CD1-CE2 4.01Å; L134-Y138 HydrophobicContact CG-CD2 4.4Å; L134-Y138 HydrophobicContact CG-CE2 3.92Å; L134-Y138 WeakPolarHBondContact O-CD2 3.43Å; L134-Y138 PolarHBondContact O-N 3.15Å; L134-W185 HydrophobicContact CD1-CB 4.37Å; L134-W185 HydrophobicContact CD1-CG 4.44Å; L134-I204 HydrophobicContact CD2-CD1 4.15Å; L134-V576 HydrophobicContact CD2-CG1 3.88Å; L134-Q579 HydrophobicContact CD2-CB 4.24Å; L134-L580 HydrophobicContact CB-CD2 4.22Å; L134-L580 HydrophobicContact CD2-CD2 3.82Å; L134-L580 HydrophobicContact CD2-CG 4.03Å; L134-L583 HydrophobicContact CB-CD1 3.86Å
135	L	97.4	Very high	95.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64.4	-37.7	174	-72.9	177.4	0	0	0	111.8	I120 A131 S137 Y138 A139 Y201 I204 A205	I120-L135 HydrophobicContact CD1-CD1 3.78Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 VanDerWaalsContact O-CG 3.28Å; A131-L135 WeakPolarHBondContact O-CG 3.38Å; A131-L135 PolarHBondContact O-N 3.09Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-Y138 PolarHBondContact O-N 2.88Å; L135-A139 PolarHBondContact O-N 2.84Å; L135-Y201 HydrophobicContact CB-CD2 4.14Å; L135-Y201 HydrophobicContact CB-CE2 3.59Å; L135-Y201 HydrophobicContact CD2-CD1 4.04Å; L135-Y201 HydrophobicContact CD2-CD2 3.73Å; L135-Y201 HydrophobicContact CD2-CE1 4.13Å; L135-Y201 HydrophobicContact CD2-CE2 3.86Å; L135-Y201 HydrophobicContact CD2-CG 3.79Å; L135-Y201 WeakPolarHBondContact CD2-O 3.33Å; L135-Y201 HydrophobicContact CG-CE2 4.24Å; L135-Y201 WeakPolarHBondContact O-CD2 3.16Å; L135-Y201 WeakPolarHBondContact O-CE2 3.17Å; L135-I204 HydrophobicContact CD2-CB 3.97Å; L135-I204 HydrophobicContact CD2-CG2 3.89Å; L135-I204 HydrophobicContact CG-CG2 4.23Å; L135-A205 HydrophobicContact CD1-CB 4.49Å
136	A	97.5	Very high	95.4	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-41	174.9	0	0	0	0	0	112.3	S132 V133 L134 A139 V140 L162 L163 I182	S132-A136 VanDerWaalsContact O-CB 3.24Å; S132-A136 WeakPolarHBondContact O-CB 3.17Å; S132-A136 PolarHBondContact O-N 2.95Å; V133-A136 WeakPolarHBondContact O-CB 3.36Å; V133-A136 PolarHBondContact O-N 3.49Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-A136 PolarHBondContact O-N 3.38Å; A136-A139 PolarHBondContact O-N 2.91Å; A136-V140 WeakPolarHBondContact O-CG2 3.48Å; A136-V140 PolarHBondContact O-N 3.35Å; A136-L162 HydrophobicContact CB-CB 4.36Å; A136-L162 VanDerWaalsContact CB-O 3.31Å; A136-L162 WeakPolarHBondContact CB-O 3.5Å; A136-L163 HydrophobicContact CB-CD2 4.02Å; A136-I182 HydrophobicContact CB-CD1 3.9Å; A136-I182 HydrophobicContact CB-CG1 4.06Å; A136-I182 HydrophobicContact CB-CG2 4.42Å
137	S	96.3	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.3	-36.3	178.7	73	0	0	0	0	112.9	V133 L134 L135 H141 I182 W185 H189	V133-S137 PolarHBondContact O-N 2.87Å; V133-S137 VanDerWaalsContact O-N 3.1Å; L134-S137 PolarHBondContact O-N 3.28Å; L134-S137 PolarHBondContact O-OG 3.1Å; L135-S137 PolarHBondContact O-N 3.03Å; S137-H141 PolarHBondContact O-N 2.82Å; S137-I182 WeakPolarHBondContact CB-O 3.34Å; S137-W185 WeakPolarHBondContact OG-CB 3.46Å; S137-H189 PolarHBondContact OG-NE2 2.83Å
138	Y	96.9	Very high	94.9	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-45	168.5	-72.2	-64	0	0	0	111.5	L134 L135 V140 H141 V142 H189 M192 V197 E200 I204	L134-Y138 HydrophobicContact CD1-CE2 4.01Å; L134-Y138 HydrophobicContact CG-CD2 4.4Å; L134-Y138 HydrophobicContact CG-CE2 3.92Å; L134-Y138 WeakPolarHBondContact O-CD2 3.43Å; L134-Y138 PolarHBondContact O-N 3.15Å; L135-Y138 PolarHBondContact O-N 2.88Å; Y138-V140 VanDerWaalsContact C-N 3.34Å; Y138-V140 PolarHBondContact O-N 2.87Å; Y138-H141 WeakPolarHBondContact O-CB 3.21Å; Y138-H141 PolarHBondContact O-N 2.7Å; Y138-H141 VanDerWaalsContact O-N 3.1Å; Y138-V142 WeakPolarHBondContact O-CG2 3.39Å; Y138-V142 PolarHBondContact O-N 3.49Å; Y138-V142 VanDerWaalsContact O-N 3.07Å; Y138-H189 AromaticContact CD1-CD2 3.79Å; Y138-H189 AromaticContact CD1-CE1 3.45Å; Y138-H189 VanDerWaalsContact CD1-CE1 3.45Å; Y138-H189 WeakPolarHBondContact CD1-CE1 3.4Å; Y138-H189 AromaticContact CD1-CG 3.99Å; Y138-H189 AromaticContact CD1-ND1 3.76Å; Y138-H189 AromaticContact CD1-NE2 3.44Å; Y138-H189 WeakPolarHBondContact CD1-NE2 3.29Å; Y138-H189 AromaticContact CE1-CE1 3.12Å; Y138-H189 WeakPolarHBondContact CE1-CE1 3.13Å; Y138-H189 AromaticContact CE1-CG 3.93Å; Y138-H189 AromaticContact CE1-ND1 3.27Å; Y138-H189 VanDerWaalsContact CE1-ND1 3.27Å; Y138-H189 WeakPolarHBondContact CE1-ND1 3.39Å; Y138-H189 AromaticContact CE1-NE2 3.66Å; Y138-H189 AromaticContact CE2-CE1 3.9Å; Y138-H189 AromaticContact CG-CE1 3.98Å; Y138-H189 AromaticContact CG-NE2 3.74Å; Y138-H189 AromaticContact CZ-CE1 3.37Å; Y138-H189 AromaticContact CZ-ND1 3.83Å; Y138-H189 PolarHBondContact N-NE2 2.98Å; Y138-M192 HydrophobicContact CE1-CE 4.31Å; Y138-M192 HydrophobicContact CE1-SD 4.41Å; Y138-V197 HydrophobicContact CD1-CG1 4.06Å; Y138-V197 VanDerWaalsContact O-CG1 3.24Å; Y138-V197 WeakPolarHBondContact O-CG1 3.48Å; Y138-E200 HydrophobicContact CE1-CB 4.11Å; Y138-E200 HydrophobicContact CE1-CG 4.36Å; Y138-I204 HydrophobicContact CD2-CD1 4.3Å; Y138-I204 HydrophobicContact CE2-CD1 3.54Å
139	A	97	Very high	94.5	Very high	9 Å²	9	29.8 Å²	29.8	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-38.1	179.5	0	0	0	0	0	113	F113 K117 L135 A136 H141 V142 Q143 Y201	F113-A139 HydrophobicContact CE2-CB 4.37Å; F113-A139 HydrophobicContact CZ-CB 4.26Å; K117-A139 HydrophobicContact CD-CB 4Å; L135-A139 PolarHBondContact O-N 2.84Å; A136-A139 PolarHBondContact O-N 2.91Å; A139-H141 VanDerWaalsContact C-N 3.35Å; A139-V142 PolarHBondContact O-N 2.94Å; A139-Q143 PolarHBondContact O-N 2.88Å; A139-Y201 HydrophobicContact CB-CD2 4.48Å; A139-Y201 HydrophobicContact CB-CE2 4.12Å
140	V	95.6	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-45.1	171.2	166.2	0	0	0	0	110.7	A136 Y138 V142 Q143 Y144 L157 L162 I182 Y186	A136-V140 WeakPolarHBondContact O-CG2 3.48Å; A136-V140 PolarHBondContact O-N 3.35Å; Y138-V140 VanDerWaalsContact C-N 3.34Å; Y138-V140 PolarHBondContact O-N 2.87Å; V140-V142 VanDerWaalsContact C-N 3.28Å; V140-V142 PolarHBondContact O-N 3.25Å; V140-Q143 PolarHBondContact O-N 3.18Å; V140-Q143 VanDerWaalsContact O-N 3.11Å; V140-Y144 HydrophobicContact CG1-CD2 3.9Å; V140-Y144 HydrophobicContact CG1-CE2 4.44Å; V140-Y144 WeakPolarHBondContact O-CD2 3.27Å; V140-Y144 PolarHBondContact O-N 3.41Å; V140-L157 HydrophobicContact CG1-CD1 4.1Å; V140-L157 HydrophobicContact CG1-CD2 3.71Å; V140-L157 HydrophobicContact CG2-CD1 4.07Å; V140-L157 HydrophobicContact CG2-CD2 4Å; V140-L162 HydrophobicContact CG2-CD1 3.71Å; V140-L162 HydrophobicContact CG2-CD2 3.8Å; V140-L162 HydrophobicContact CG2-CG 4.41Å; V140-I182 HydrophobicContact CG2-CG2 3.9Å; V140-Y186 HydrophobicContact CG1-CD1 3.49Å; V140-Y186 VanDerWaalsContact CG1-CD1 3.49Å; V140-Y186 HydrophobicContact CG1-CD2 4.03Å; V140-Y186 HydrophobicContact CG1-CE1 3.55Å; V140-Y186 HydrophobicContact CG1-CE2 4.1Å; V140-Y186 HydrophobicContact CG1-CG 3.77Å
141	H	95	Very high	93.7	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-27.5	177	-169.2	-55	0	0	0	113.4	S137 Y138 A139 G145 P146 Y186 M192 V197	S137-H141 PolarHBondContact O-N 2.82Å; Y138-H141 WeakPolarHBondContact O-CB 3.21Å; Y138-H141 PolarHBondContact O-N 2.7Å; Y138-H141 VanDerWaalsContact O-N 3.1Å; A139-H141 VanDerWaalsContact C-N 3.35Å; H141-G145 WeakPolarHBondContact CA-O 3.38Å; H141-G145 CarbonylContact O-C 3.58Å; H141-G145 VanDerWaalsContact O-CA 3.31Å; H141-G145 WeakPolarHBondContact O-CA 3.29Å; H141-G145 PolarHBondContact O-N 2.89Å; H141-G145 VanDerWaalsContact O-N 3.14Å; H141-P146 WeakPolarHBondContact NE2-CA 3.47Å; H141-Y186 HydrophobicContact CB-CD2 3.81Å; H141-Y186 HydrophobicContact CB-CE2 3.72Å; H141-Y186 AromaticContact CD2-CE2 3.95Å; H141-M192 PolarHBondContact CE1-O 3.27Å; H141-M192 VanDerWaalsContact CE1-O 3.3Å; H141-V197 HydrophobicContact CB-CG1 4.13Å
142	V	95.2	Very high	93.4	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-71	-40.1	171	-178.8	0	0	0	0	111.6	F113 Y138 A139 V140 R194 V197 E198	F113-V142 HydrophobicContact CD1-CG1 4.37Å; F113-V142 HydrophobicContact CE1-CB 4.04Å; F113-V142 HydrophobicContact CE1-CG1 3.61Å; F113-V142 HydrophobicContact CE1-CG2 4.11Å; F113-V142 HydrophobicContact CE2-CG2 4.03Å; F113-V142 HydrophobicContact CZ-CB 3.82Å; F113-V142 HydrophobicContact CZ-CG1 3.94Å; F113-V142 HydrophobicContact CZ-CG2 3.68Å; Y138-V142 WeakPolarHBondContact O-CG2 3.39Å; Y138-V142 PolarHBondContact O-N 3.49Å; Y138-V142 VanDerWaalsContact O-N 3.07Å; A139-V142 PolarHBondContact O-N 2.94Å; V140-V142 VanDerWaalsContact C-N 3.28Å; V140-V142 PolarHBondContact O-N 3.25Å; V142-R194 HydrophobicContact CG1-CG 4.15Å; V142-V197 HydrophobicContact CG2-CB 4.45Å; V142-V197 HydrophobicContact CG2-CG1 3.52Å; V142-E198 HydrophobicContact CB-CG 4.47Å; V142-E198 HydrophobicContact CG1-CG 4.03Å; V142-E198 VanDerWaalsContact CG1-OE1 3.27Å; V142-E198 WeakPolarHBondContact CG1-OE1 3.41Å; V142-E198 HydrophobicContact CG2-CG 3.53Å
143	Q	92.8	Very high	92.9	Very high	121 Å²	121	48.2 Å²	48.2	57%	0.565	24%	0.236	S	C	*	.	H	α-helix	trans	-77.2	-38.8	-174.5	-179.4	173.9	-18.5	0	0	113.4	A139 V140	A139-Q143 PolarHBondContact O-N 2.88Å; V140-Q143 PolarHBondContact O-N 3.18Å; V140-Q143 VanDerWaalsContact O-N 3.11Å
144	Y	92.2	Very high	92.3	Very high	81 Å²	81	54.4 Å²	54.4	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-113	-9.9	-172.3	-60.2	-83.8	0	0	0	114.1	V140 M156 L157	V140-Y144 HydrophobicContact CG1-CD2 3.9Å; V140-Y144 HydrophobicContact CG1-CE2 4.44Å; V140-Y144 WeakPolarHBondContact O-CD2 3.27Å; V140-Y144 PolarHBondContact O-N 3.41Å; Y144-M156 HydrophobicContact CD1-CE 3.3Å; Y144-M156 HydrophobicContact CE1-CE 3.84Å; Y144-M156 HydrophobicContact CE1-CG 4.21Å; Y144-M156 HydrophobicContact CG-CE 3.9Å; Y144-M156 PolarHBondContact OH-O 2.96Å; Y144-L157 HydrophobicContact CD2-CD2 4.07Å; Y144-L157 HydrophobicContact CE2-CD2 3.6Å
145	G	92.2	Very high	91.8	Very high	24 Å²	24	56.5 Å²	56.5	25%	0.247	29%	0.29	C	S	.	.			trans	91.7	-166.2	-174.2	0	0	0	0	0	112.5	H141 Y186	H141-G145 WeakPolarHBondContact CA-O 3.38Å; H141-G145 CarbonylContact O-C 3.58Å; H141-G145 VanDerWaalsContact O-CA 3.31Å; H141-G145 WeakPolarHBondContact O-CA 3.29Å; H141-G145 PolarHBondContact O-N 2.89Å; H141-G145 VanDerWaalsContact O-N 3.14Å; G145-Y186 VanDerWaalsContact O-CE2 3.27Å; G145-Y186 WeakPolarHBondContact O-CE2 3.4Å; G145-Y186 PolarHBondContact O-OH 3.28Å
146	P	91.8	Very high	91.4	Very high	73 Å²	73	59.6 Å²	59.6	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	-61.9	149.6	172.3	-20.3	33.2	0	0	0	112.4	H141 D148 Y186	H141-P146 WeakPolarHBondContact NE2-CA 3.47Å; P146-D148 PolarHBondContact O-N 2.74Å; P146-Y186 PolarHBondContact O-OH 3.48Å
147	Y	92.1	Very high	91	Very high	44 Å²	44	59.7 Å²	59.7	17%	0.173	31%	0.305	C	S	.	.			trans	-63.2	131.3	171.9	-177.8	-86.9	0	0	0	110.4	Y152 K183 Y186 M187	Y147-Y152 HydrophobicContact CD2-CD2 4.02Å; Y147-Y152 HydrophobicContact CD2-CG 4.28Å; Y147-Y152 HydrophobicContact CE2-CD1 4.02Å; Y147-Y152 AromaticContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CE2 4.25Å; Y147-Y152 AromaticContact CE2-CG 3.58Å; Y147-Y152 HydrophobicContact CE2-CG 3.58Å; Y147-K183 HydrophobicContact CE2-CG 4.2Å; Y147-Y186 AromaticContact CD2-CD1 3.7Å; Y147-Y186 HydrophobicContact CD2-CD1 3.7Å; Y147-Y186 AromaticContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CG 4.37Å; Y147-Y186 HydrophobicContact CG-CE1 4.42Å; Y147-M187 HydrophobicContact CD1-CB 4.42Å; Y147-M187 HydrophobicContact CD1-CG 3.75Å; Y147-M187 HydrophobicContact CD1-SD 4.49Å; Y147-M187 HydrophobicContact CD2-CG 3.87Å; Y147-M187 HydrophobicContact CE1-CG 3.83Å; Y147-M187 HydrophobicContact CE1-SD 4.01Å; Y147-M187 HydrophobicContact CE2-CG 3.94Å; Y147-M187 HydrophobicContact CE2-SD 4.49Å; Y147-M187 HydrophobicContact CG-CB 4.43Å; Y147-M187 HydrophobicContact CG-CG 3.77Å
148	D	89.3	Confident	90.1	Very high	58 Å²	58	62.9 Å²	62.9	31%	0.31	33%	0.332	S	S	.	.			trans	-133.6	130.2	171.9	160.8	43.6	0	0	0	109	P146 E150 T151 Y152	P146-D148 PolarHBondContact O-N 2.74Å; D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 2.81Å; D148-E150 PolarHBondContact OD1-N 2.84Å; D148-T151 VanDerWaalsContact OD2-CB 3.29Å; D148-T151 WeakPolarHBondContact OD2-CB 3.27Å; D148-T151 VanDerWaalsContact OD2-CG2 3.27Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.44Å; D148-T151 PolarHBondContact OD2-N 2.93Å; D148-T151 PolarHBondContact OD2-OG1 3.14Å; D148-Y152 WeakPolarHBondContact O-CB 3.36Å; D148-Y152 PolarHBondContact O-N 3.21Å
149	Y	87.8	Confident	88.9	Confident	167 Å²	167	66.4 Å²	66.4	66%	0.655	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-18	-176.2	91	-74.9	0	0	0	113.3
150	E	87.1	Confident	88.1	Confident	139 Å²	139	67.4 Å²	67.4	65%	0.65	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-33.5	179.3	-56	-167	176.7	0	0	112.4	D148	D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 2.81Å; D148-E150 PolarHBondContact OD1-N 2.84Å
151	T	87	Confident	87.7	Confident	95 Å²	95	74.8 Å²	74.8	58%	0.583	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-26.3	179.8	55.7	0	0	0	0	114.8	D148	D148-T151 VanDerWaalsContact OD2-CB 3.29Å; D148-T151 WeakPolarHBondContact OD2-CB 3.27Å; D148-T151 VanDerWaalsContact OD2-CG2 3.27Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.44Å; D148-T151 PolarHBondContact OD2-N 2.93Å; D148-T151 PolarHBondContact OD2-OG1 3.14Å
152	Y	88.2	Confident	87.5	Confident	20 Å²	20	76 Å²	76	8%	0.078	42%	0.423	C	S	.	.			trans	-64.4	141.6	176.8	-172.8	-85	0	0	0	111.8	Y147 D148 M156 L157 E179 K183 Y186	Y147-Y152 HydrophobicContact CD2-CD2 4.02Å; Y147-Y152 HydrophobicContact CD2-CG 4.28Å; Y147-Y152 HydrophobicContact CE2-CD1 4.02Å; Y147-Y152 AromaticContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CE2 4.25Å; Y147-Y152 AromaticContact CE2-CG 3.58Å; Y147-Y152 HydrophobicContact CE2-CG 3.58Å; D148-Y152 WeakPolarHBondContact O-CB 3.36Å; D148-Y152 PolarHBondContact O-N 3.21Å; Y152-M156 HydrophobicContact CD2-SD 4.16Å; Y152-L157 HydrophobicContact CE2-CG 4.38Å; Y152-E179 PolarHBondContact OH-OE1 3.38Å; Y152-K183 HydrophobicContact CE1-CD 3.64Å; Y152-K183 HydrophobicContact CE1-CG 4.23Å; Y152-Y186 HydrophobicContact CD2-CE1 4.09Å; Y152-Y186 HydrophobicContact CE2-CD1 4.36Å; Y152-Y186 HydrophobicContact CE2-CE1 4.13Å
153	K	87.9	Confident	87.6	Confident	151 Å²	151	76.4 Å²	76.4	66%	0.657	43%	0.425	S	S	*	.			trans	-134.4	139.4	178.3	-65.4	172.9	-173	172	0	109.5	G155 M156	K153-G155 PolarHBondContact O-N 3.37Å; K153-M156 WeakPolarHBondContact O-CB 3.46Å; K153-M156 PolarHBondContact O-N 2.68Å
154	D	83.6	Confident	87.7	Confident	131 Å²	131	70.8 Å²	70.8	70%	0.701	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	135.2	177.2	-56.7	-46.8	0	0	0	110.3	K183	D154-K183 IonicContact OD1-NZ 3.72Å; D154-K183 PolarHBondContact OD1-NZ 2.98Å
155	G	85.1	Confident	87.7	Confident	43 Å²	43	73.9 Å²	73.9	44%	0.443	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	2.3	-170.2	0	0	0	0	0	114.3	K153 L157 A158 E179	K153-G155 PolarHBondContact O-N 3.37Å; G155-L157 PolarHBondContact O-N 2.87Å; G155-A158 WeakPolarHBondContact O-CB 3.43Å; G155-A158 PolarHBondContact O-N 3.11Å; G155-E179 WeakPolarHBondContact CA-OE1 3.05Å; G155-E179 WeakPolarHBondContact CA-OE2 3.5Å; G155-E179 PolarHBondContact N-OE1 3.35Å; G155-E179 VanDerWaalsContact N-OE1 3.09Å
156	M	87.8	Confident	87.6	Confident	67 Å²	67	74.1 Å²	74.1	33%	0.33	42%	0.416	S	S	.	.	S	Bend	trans	-64.8	-22.6	173.7	178.2	167.6	169.6	0	0	112.6	Y144 Y152 K153 E179	Y144-M156 HydrophobicContact CD1-CE 3.3Å; Y144-M156 HydrophobicContact CE1-CE 3.84Å; Y144-M156 HydrophobicContact CE1-CG 4.21Å; Y144-M156 HydrophobicContact CG-CE 3.9Å; Y144-M156 PolarHBondContact OH-O 2.96Å; Y152-M156 HydrophobicContact CD2-SD 4.16Å; K153-M156 WeakPolarHBondContact O-CB 3.46Å; K153-M156 PolarHBondContact O-N 2.68Å; M156-E179 PolarHBondContact N-OE1 2.93Å
157	L	89.2	Confident	87.8	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.026	39%	0.394	C	S	.	.	S	Bend	trans	-99.1	-14.6	177.2	-52.4	-173.9	0	0	0	113.4	V140 Y144 Y152 G155 G159 G160 L162 E179 I182	V140-L157 HydrophobicContact CG1-CD1 4.1Å; V140-L157 HydrophobicContact CG1-CD2 3.71Å; V140-L157 HydrophobicContact CG2-CD1 4.07Å; V140-L157 HydrophobicContact CG2-CD2 4Å; Y144-L157 HydrophobicContact CD2-CD2 4.07Å; Y144-L157 HydrophobicContact CE2-CD2 3.6Å; Y152-L157 HydrophobicContact CE2-CG 4.38Å; G155-L157 PolarHBondContact O-N 2.87Å; L157-G159 PolarHBondContact O-N 2.85Å; L157-G160 PolarHBondContact O-N 3.07Å; L157-L162 HydrophobicContact CB-CD1 3.82Å; L157-L162 HydrophobicContact CD1-CD1 4.28Å; L157-L162 HydrophobicContact CG-CD1 4.45Å; L157-E179 HydrophobicContact CB-CG 3.92Å; L157-E179 WeakPolarHBondContact CB-OE1 3.47Å; L157-E179 HydrophobicContact CD1-CG 4.2Å; L157-E179 HydrophobicContact CG-CG 4.29Å; L157-E179 PolarHBondContact N-OE1 2.87Å; L157-I182 HydrophobicContact CD1-CG2 4.04Å
158	A	78.3	Confident	87.8	Confident	68 Å²	68	70.7 Å²	70.7	56%	0.562	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.1	-173.4	0	0	0	0	0	116.3	G155 E179	G155-A158 WeakPolarHBondContact O-CB 3.43Å; G155-A158 PolarHBondContact O-N 3.11Å; A158-E179 PolarHBondContact N-OE2 2.83Å
159	G	72.7	Confident	88	Confident	82 Å²	82	71.8 Å²	71.8	85%	0.845	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.1	173.7	0	0	0	0	0	115.4	L157	L157-G159 PolarHBondContact O-N 2.85Å
160	G	78.4	Confident	88.3	Confident	31 Å²	31	64 Å²	64	32%	0.32	37%	0.374	S	S	.	.	S	Bend	trans	-95.3	136.3	-173.6	0	0	0	0	0	114.3	L157 L162	L157-G160 PolarHBondContact O-N 3.07Å; G160-L162 PolarHBondContact O-N 3.4Å
161	E	88.4	Confident	88.7	Confident	155 Å²	155	58.3 Å²	58.3	72%	0.724	35%	0.347	S	S	*	.			trans	-72.4	75.3	162	-66.8	-173.6	168.7	0	0	109.5	L121	L121-E161 WeakPolarHBondContact CD1-O 3.48Å; L121-E161 WeakPolarHBondContact CD2-O 3.39Å
162	L	91	Very high	89.1	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.147	35%	0.353	C	S	.	.			trans	-91.4	-26.4	-174.3	-63.9	-175.1	0	0	0	113.9	A136 V140 L157 G160 I182	A136-L162 HydrophobicContact CB-CB 4.36Å; A136-L162 VanDerWaalsContact CB-O 3.31Å; A136-L162 WeakPolarHBondContact CB-O 3.5Å; V140-L162 HydrophobicContact CG2-CD1 3.71Å; V140-L162 HydrophobicContact CG2-CD2 3.8Å; V140-L162 HydrophobicContact CG2-CG 4.41Å; L157-L162 HydrophobicContact CB-CD1 3.82Å; L157-L162 HydrophobicContact CD1-CD1 4.28Å; L157-L162 HydrophobicContact CG-CD1 4.45Å; G160-L162 PolarHBondContact O-N 3.4Å; L162-I182 HydrophobicContact CB-CD1 4.04Å; L162-I182 HydrophobicContact CD1-CD1 4.09Å
163	L	95.7	Very high	89.3	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.11	35%	0.354	C	S	.	.	S	Bend	trans	-124.3	145.8	179.4	-66.6	174.6	0	0	0	110.2	V133 A136 T168 W178 I182	V133-L163 HydrophobicContact CG2-CD1 4.44Å; V133-L163 HydrophobicContact CG2-CD2 4.06Å; A136-L163 HydrophobicContact CB-CD2 4.02Å; L163-T168 HydrophobicContact CB-CG2 3.88Å; L163-T168 HydrophobicContact CD1-CG2 4.21Å; L163-W178 HydrophobicContact CD1-CB 4.02Å; L163-W178 HydrophobicContact CD1-CD2 3.53Å; L163-W178 HydrophobicContact CD1-CE3 3.51Å; L163-W178 HydrophobicContact CD1-CG 3.81Å; L163-W178 HydrophobicContact CD1-CZ3 4.12Å; L163-I182 HydrophobicContact CD1-CD1 4.28Å; L163-I182 HydrophobicContact CG-CD1 4.18Å
164	P	95.2	Very high	89.5	Confident	3 Å²	3	57 Å²	57	2%	0.019	34%	0.341	C	S	.	.			trans	-63.2	137.7	172.5	-14.5	28	0	0	0	109.9	I120 M123 G166 V167 T168	I120-P164 HydrophobicContact CG2-CG 4.08Å; I120-P164 WeakPolarHBondContact O-CG 3.29Å; M123-P164 HydrophobicContact CG-CB 3.88Å; M123-P164 HydrophobicContact SD-CB 3.43Å; M123-P164 WeakPolarHBondContact SD-CB 3.36Å; M123-P164 HydrophobicContact SD-CG 4.08Å; P164-G166 PolarHBondContact O-N 3.26Å; P164-G166 VanDerWaalsContact O-N 3.14Å; P164-V167 HydrophobicContact CB-CG2 4.33Å; P164-V167 HydrophobicContact CG-CG2 4.18Å; P164-V167 WeakPolarHBondContact O-CA 3.37Å; P164-V167 WeakPolarHBondContact O-CB 3.32Å; P164-V167 PolarHBondContact O-N 2.84Å; P164-T168 PolarHBondContact O-N 3.16Å
165	K	92.1	Very high	89.9	Confident	147 Å²	147	54.9 Å²	54.9	64%	0.639	34%	0.335	S	S	*	.	H	α-helix	trans	-57.2	-34.2	-179.5	179.2	170.4	173.6	172	0	113	V167 T168 D169	K165-V167 PolarHBondContact O-N 2.87Å; K165-T168 WeakPolarHBondContact CA-OG1 3.25Å; K165-T168 PolarHBondContact O-N 2.74Å; K165-T168 PolarHBondContact O-OG1 2.97Å; K165-T168 VanDerWaalsContact O-OG1 3.04Å; K165-D169 VanDerWaalsContact CE-CG 3.47Å; K165-D169 VanDerWaalsContact CE-OD1 3.32Å; K165-D169 WeakPolarHBondContact CE-OD1 3.42Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 WeakPolarHBondContact CG-OD1 3.26Å; K165-D169 IonicContact NZ-OD2 3.29Å; K165-D169 WeakPolarHBondContact O-CB 3.36Å; K165-D169 PolarHBondContact O-N 3.49Å
166	G	91.9	Very high	90.2	Very high	28 Å²	28	58.3 Å²	58.3	29%	0.289	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-19.9	174.8	0	0	0	0	0	114.3	P164 Q170	P164-G166 PolarHBondContact O-N 3.26Å; P164-G166 VanDerWaalsContact O-N 3.14Å; G166-Q170 WeakPolarHBondContact O-CG 3.47Å; G166-Q170 PolarHBondContact O-NE2 2.79Å
167	V	94.3	Very high	90.4	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-85.9	-47.3	171.3	173.3	0	0	0	0	110.7	P129 P164 K165 D169 Q170 Y171 W178	P129-V167 HydrophobicContact CB-CG1 3.82Å; P129-V167 HydrophobicContact CG-CG1 4.17Å; P129-V167 HydrophobicContact CG-CG2 4.47Å; P164-V167 HydrophobicContact CB-CG2 4.33Å; P164-V167 HydrophobicContact CG-CG2 4.18Å; P164-V167 WeakPolarHBondContact O-CA 3.37Å; P164-V167 WeakPolarHBondContact O-CB 3.32Å; P164-V167 PolarHBondContact O-N 2.84Å; K165-V167 PolarHBondContact O-N 2.87Å; V167-D169 VanDerWaalsContact C-N 3.34Å; V167-D169 PolarHBondContact O-N 2.99Å; V167-Q170 PolarHBondContact O-N 3.38Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; V167-W178 HydrophobicContact CG1-CH2 4.21Å
168	T	93.6	Very high	90.7	Very high	44 Å²	44	58.1 Å²	58.1	27%	0.27	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-39.7	-176.8	55.8	0	0	0	0	112.5	L163 P164 K165 Q170 Y171	L163-T168 HydrophobicContact CB-CG2 3.88Å; L163-T168 HydrophobicContact CD1-CG2 4.21Å; P164-T168 PolarHBondContact O-N 3.16Å; K165-T168 WeakPolarHBondContact CA-OG1 3.25Å; K165-T168 PolarHBondContact O-N 2.74Å; K165-T168 PolarHBondContact O-OG1 2.97Å; K165-T168 VanDerWaalsContact O-OG1 3.04Å; T168-Q170 PolarHBondContact O-N 2.95Å; T168-Q170 VanDerWaalsContact O-N 3.17Å; T168-Y171 PolarHBondContact O-N 3.22Å
169	D	93	Very high	91.4	Very high	82 Å²	82	55.6 Å²	55.6	44%	0.439	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.9	-178.6	-70.1	10.2	0	0	0	112.8	K165 V167 N595	K165-D169 VanDerWaalsContact CE-CG 3.47Å; K165-D169 VanDerWaalsContact CE-OD1 3.32Å; K165-D169 WeakPolarHBondContact CE-OD1 3.42Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 WeakPolarHBondContact CG-OD1 3.26Å; K165-D169 IonicContact NZ-OD2 3.29Å; K165-D169 WeakPolarHBondContact O-CB 3.36Å; K165-D169 PolarHBondContact O-N 3.49Å; V167-D169 VanDerWaalsContact C-N 3.34Å; V167-D169 PolarHBondContact O-N 2.99Å; D169-N595 PolarHBondContact O-ND2 2.95Å
170	Q	93.8	Very high	92.4	Very high	4 Å²	4	58 Å²	58	2%	0.019	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.6	179.6	-75.1	-174.5	65	0	0	114.8	G166 V167 T168 I592 N595 D600	G166-Q170 WeakPolarHBondContact O-CG 3.47Å; G166-Q170 PolarHBondContact O-NE2 2.79Å; V167-Q170 PolarHBondContact O-N 3.38Å; T168-Q170 PolarHBondContact O-N 2.95Å; T168-Q170 VanDerWaalsContact O-N 3.17Å; Q170-I592 PolarHBondContact O-N 3.35Å; Q170-N595 HydrophobicContact CG-CB 4.27Å; Q170-N595 WeakPolarHBondContact CG-O 3.34Å; Q170-D600 VanDerWaalsContact NE2-CG 3.26Å; Q170-D600 PolarHBondContact NE2-OD1 3.14Å; Q170-D600 PolarHBondContact NE2-OD2 3.36Å
171	Y	95.4	Very high	93.1	Very high	18 Å²	18	59.6 Å²	59.6	7%	0.071	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-133.9	141	-174.9	-64.7	-101	0	0	0	112.3	P129 V167 T168 M173 W178 I587 H590 K591	P129-Y171 HydrophobicContact CB-CE2 3.73Å; P129-Y171 WeakPolarHBondContact CB-OH 3.19Å; P129-Y171 HydrophobicContact CG-CE2 3.74Å; P129-Y171 WeakPolarHBondContact CG-OH 3.34Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; T168-Y171 PolarHBondContact O-N 3.22Å; Y171-M173 PolarHBondContact O-N 2.85Å; Y171-W178 AromaticContact CD2-CH2 3.94Å; Y171-W178 HydrophobicContact CD2-CH2 3.94Å; Y171-W178 AromaticContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CE2-CH2 4.47Å; Y171-W178 HydrophobicContact CG-CH2 4.08Å; Y171-W178 HydrophobicContact CG-CZ2 4.01Å; Y171-I587 HydrophobicContact CD1-CB 4.13Å; Y171-I587 VanDerWaalsContact CD1-O 3.27Å; Y171-I587 WeakPolarHBondContact CD1-O 3.5Å; Y171-I587 HydrophobicContact CE1-CB 3.81Å; Y171-I587 HydrophobicContact CE1-CD1 4.16Å; Y171-I587 HydrophobicContact CE1-CG1 3.7Å; Y171-I587 VanDerWaalsContact CE1-O 3.29Å; Y171-I587 WeakPolarHBondContact CE1-O 3.26Å; Y171-H590 CarbonylContact C-O 2.99Å; Y171-H590 WeakPolarHBondContact CA-O 3.45Å; Y171-H590 HydrophobicContact CD1-CB 4.22Å; Y171-K591 HydrophobicContact CD1-CB 3.9Å; Y171-K591 HydrophobicContact CD1-CG 4.33Å; Y171-K591 HydrophobicContact CE1-CB 3.58Å; Y171-K591 HydrophobicContact CE1-CD 4.29Å; Y171-K591 HydrophobicContact CE1-CG 3.8Å
172	Q	94.7	Very high	93.4	Very high	156 Å²	156	52.4 Å²	52.4	73%	0.729	27%	0.267	S	S	*	.	S	Bend	trans	-79.4	67.6	170.5	-166	169.7	58	0	0	110.2	H590 I592	Q172-H590 PolarHBondContact N-O 2.85Å; Q172-H590 PolarHBondContact O-ND1 3.29Å; Q172-I592 HydrophobicContact CB-CD1 4.27Å; Q172-I592 HydrophobicContact CB-CG1 4.38Å
173	M	93.1	Very high	93.5	Very high	19 Å²	19	53.3 Å²	53.3	9%	0.094	27%	0.269	C	S	.	.			trans	-130.5	140	177.9	-69.1	179.7	58.1	0	0	109.7	Y171 M177 W178 R181 I587 H590	Y171-M173 PolarHBondContact O-N 2.85Å; M173-M177 HydrophobicContact CB-CB 4.19Å; M173-M177 HydrophobicContact CB-CE 4.37Å; M173-M177 HydrophobicContact CB-SD 4.36Å; M173-M177 HydrophobicContact CE-CB 4Å; M173-M177 HydrophobicContact CG-CE 3.96Å; M173-W178 HydrophobicContact CB-CD2 4.47Å; M173-W178 HydrophobicContact CB-CZ2 4.41Å; M173-W178 HydrophobicContact CE-CD2 3.8Å; M173-W178 HydrophobicContact CE-CE3 3.72Å; M173-W178 HydrophobicContact CE-CG 4.33Å; M173-W178 HydrophobicContact CE-CH2 4.47Å; M173-W178 HydrophobicContact CE-CZ3 4.06Å; M173-W178 HydrophobicContact SD-CD2 4.36Å; M173-W178 HydrophobicContact SD-CE3 4.33Å; M173-W178 HydrophobicContact SD-CH2 4.01Å; M173-W178 HydrophobicContact SD-CZ2 4.04Å; M173-W178 HydrophobicContact SD-CZ3 4.14Å; M173-R181 HydrophobicContact CE-CG 4.04Å; M173-I587 HydrophobicContact CE-CG2 4.5Å; M173-I587 HydrophobicContact SD-CB 4.34Å; M173-I587 HydrophobicContact SD-CG2 4.16Å; M173-H590 HydrophobicContact CG-CB 3.63Å; M173-H590 HydrophobicContact SD-CB 4.11Å
174	T	92.3	Very high	93.4	Very high	63 Å²	63	55.2 Å²	55.2	39%	0.387	28%	0.282	S	S	.	.			trans	-82	165.8	176.1	76.4	0	0	0	0	111.1	E176 M177 W178	T174-E176 WeakPolarHBondContact CB-OE2 3.46Å; T174-E176 PolarHBondContact O-N 2.89Å; T174-E176 PolarHBondContact OG1-N 3.39Å; T174-E176 PolarHBondContact OG1-OE2 3.48Å; T174-M177 HydrophobicContact CG2-SD 4.11Å; T174-M177 PolarHBondContact O-N 3.48Å; T174-M177 VanDerWaalsContact O-N 3.15Å; T174-M177 WeakPolarHBondContact OG1-CG 3.29Å; T174-M177 PolarHBondContact OG1-N 3.38Å; T174-W178 VanDerWaalsContact O-CD1 3.28Å; T174-W178 PolarHBondContact O-N 2.95Å; T174-W178 VanDerWaalsContact O-N 3.11Å
175	P	91.5	Very high	93.2	Very high	87 Å²	87	56.1 Å²	56.1	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-54.9	-37.8	174.2	-26	36.3	0	0	0	112.9	W178 E179	P175-W178 PolarHBondContact O-N 2.89Å; P175-E179 PolarHBondContact O-N 3.17Å
176	E	91.2	Very high	93.3	Very high	115 Å²	115	49.4 Å²	49.4	54%	0.537	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-40.3	178.5	-52.2	75.1	-163.3	0	0	111.2	T174 W178 E179 E180	T174-E176 WeakPolarHBondContact CB-OE2 3.46Å; T174-E176 PolarHBondContact O-N 2.89Å; T174-E176 PolarHBondContact OG1-N 3.39Å; T174-E176 PolarHBondContact OG1-OE2 3.48Å; E176-W178 VanDerWaalsContact C-N 3.28Å; E176-W178 PolarHBondContact O-N 2.9Å; E176-E179 PolarHBondContact O-N 3.19Å; E176-E180 PolarHBondContact O-N 2.83Å
177	M	93.3	Very high	93.4	Very high	56 Å²	56	52.1 Å²	52.1	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-31.1	174.2	-65.2	173.8	70	0	0	112.5	M173 T174 R181 H590	M173-M177 HydrophobicContact CB-CB 4.19Å; M173-M177 HydrophobicContact CB-CE 4.37Å; M173-M177 HydrophobicContact CB-SD 4.36Å; M173-M177 HydrophobicContact CE-CB 4Å; M173-M177 HydrophobicContact CG-CE 3.96Å; T174-M177 HydrophobicContact CG2-SD 4.11Å; T174-M177 PolarHBondContact O-N 3.48Å; T174-M177 VanDerWaalsContact O-N 3.15Å; T174-M177 WeakPolarHBondContact OG1-CG 3.29Å; T174-M177 PolarHBondContact OG1-N 3.38Å; M177-R181 WeakPolarHBondContact O-CG 2.97Å; M177-R181 PolarHBondContact O-N 3.25Å; M177-H590 VanDerWaalsContact CE-CE1 3.46Å; M177-H590 WeakPolarHBondContact CE-CE1 3.32Å
178	W	94.5	Very high	93.2	Very high	12 Å²	12	56.3 Å²	56.3	5%	0.045	28%	0.284	C	S	.	.	H	α-helix	trans	-74.5	-40.8	171.3	-72.1	116.9	0	0	0	111.8	V133 L163 V167 Y171 M173 T174 P175 E176 E180 R181 I182 I587	V133-W178 HydrophobicContact CG2-CE3 3.89Å; V133-W178 HydrophobicContact CG2-CZ3 3.56Å; L163-W178 HydrophobicContact CD1-CB 4.02Å; L163-W178 HydrophobicContact CD1-CD2 3.53Å; L163-W178 HydrophobicContact CD1-CE3 3.51Å; L163-W178 HydrophobicContact CD1-CG 3.81Å; L163-W178 HydrophobicContact CD1-CZ3 4.12Å; V167-W178 HydrophobicContact CG1-CH2 4.21Å; Y171-W178 AromaticContact CD2-CH2 3.94Å; Y171-W178 HydrophobicContact CD2-CH2 3.94Å; Y171-W178 AromaticContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CE2-CH2 4.47Å; Y171-W178 HydrophobicContact CG-CH2 4.08Å; Y171-W178 HydrophobicContact CG-CZ2 4.01Å; M173-W178 HydrophobicContact CB-CD2 4.47Å; M173-W178 HydrophobicContact CB-CZ2 4.41Å; M173-W178 HydrophobicContact CE-CD2 3.8Å; M173-W178 HydrophobicContact CE-CE3 3.72Å; M173-W178 HydrophobicContact CE-CG 4.33Å; M173-W178 HydrophobicContact CE-CH2 4.47Å; M173-W178 HydrophobicContact CE-CZ3 4.06Å; M173-W178 HydrophobicContact SD-CD2 4.36Å; M173-W178 HydrophobicContact SD-CE3 4.33Å; M173-W178 HydrophobicContact SD-CH2 4.01Å; M173-W178 HydrophobicContact SD-CZ2 4.04Å; M173-W178 HydrophobicContact SD-CZ3 4.14Å; T174-W178 VanDerWaalsContact O-CD1 3.28Å; T174-W178 PolarHBondContact O-N 2.95Å; T174-W178 VanDerWaalsContact O-N 3.11Å; P175-W178 PolarHBondContact O-N 2.89Å; E176-W178 VanDerWaalsContact C-N 3.28Å; E176-W178 PolarHBondContact O-N 2.9Å; W178-E180 VanDerWaalsContact C-N 3.33Å; W178-E180 PolarHBondContact O-N 2.89Å; W178-R181 PolarHBondContact O-N 3.08Å; W178-I182 VanDerWaalsContact O-CG1 3.3Å; W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 3.49Å; W178-I587 HydrophobicContact CH2-CG2 4.44Å; W178-I587 HydrophobicContact CZ3-CG2 4Å
179	E	93.3	Very high	93	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-43.3	173.7	175	160	-163.3	0	0	111.3	Y152 G155 M156 L157 A158 P175 E176 R181 I182 K183	Y152-E179 PolarHBondContact OH-OE1 3.38Å; G155-E179 WeakPolarHBondContact CA-OE1 3.05Å; G155-E179 WeakPolarHBondContact CA-OE2 3.5Å; G155-E179 PolarHBondContact N-OE1 3.35Å; G155-E179 VanDerWaalsContact N-OE1 3.09Å; M156-E179 PolarHBondContact N-OE1 2.93Å; L157-E179 HydrophobicContact CB-CG 3.92Å; L157-E179 WeakPolarHBondContact CB-OE1 3.47Å; L157-E179 HydrophobicContact CD1-CG 4.2Å; L157-E179 HydrophobicContact CG-CG 4.29Å; L157-E179 PolarHBondContact N-OE1 2.87Å; A158-E179 PolarHBondContact N-OE2 2.83Å; P175-E179 PolarHBondContact O-N 3.17Å; E176-E179 PolarHBondContact O-N 3.19Å; E179-R181 PolarHBondContact O-N 3.38Å; E179-I182 PolarHBondContact O-N 3.11Å; E179-K183 WeakPolarHBondContact O-CB 3.27Å; E179-K183 PolarHBondContact O-N 2.95Å
180	E	92.9	Very high	92.6	Very high	133 Å²	133	55.6 Å²	55.6	62%	0.621	28%	0.275	S	S	*	.	H	α-helix	trans	-58.8	-47.4	174.6	-75.2	-171.9	146.9	0	0	112.7	E176 W178 I182 K183 T184	E176-E180 PolarHBondContact O-N 2.83Å; W178-E180 VanDerWaalsContact C-N 3.33Å; W178-E180 PolarHBondContact O-N 2.89Å; E180-I182 PolarHBondContact O-N 3.44Å; E180-K183 PolarHBondContact O-N 3.39Å; E180-T184 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-OG1 3.34Å
181	R	93.4	Very high	92.3	Very high	64 Å²	64	58.6 Å²	58.6	24%	0.242	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-42.3	178.1	-61.9	-66.4	-179	-164.7	-4.6	111.8	V133 M173 M177 W178 E179 T184 W185 E586	V133-R181 HydrophobicContact CG1-CB 3.97Å; M173-R181 HydrophobicContact CE-CG 4.04Å; M177-R181 WeakPolarHBondContact O-CG 2.97Å; M177-R181 PolarHBondContact O-N 3.25Å; W178-R181 PolarHBondContact O-N 3.08Å; E179-R181 PolarHBondContact O-N 3.38Å; R181-T184 PolarHBondContact O-N 2.99Å; R181-W185 VanDerWaalsContact O-CD1 3.23Å; R181-E586 WeakPolarHBondContact CD-OE2 3.46Å; R181-E586 IonicContact CZ-OE2 2.85Å; R181-E586 IonicContact NE-OE2 3.98Å; R181-E586 IonicContact NH1-OE1 3.8Å; R181-E586 IonicContact NH1-OE2 3.26Å; R181-E586 PolarHBondContact NH1-OE2 3Å; R181-E586 PolarHBondContact NH2-O 2.93Å
182	I	95.3	Very high	92	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-43.1	178.2	-66.4	168	0	0	0	110.1	V133 A136 S137 V140 L157 L162 L163 W178 E179 E180 T184 W185 Y186	V133-I182 HydrophobicContact CG1-CG1 4.02Å; A136-I182 HydrophobicContact CB-CD1 3.9Å; A136-I182 HydrophobicContact CB-CG1 4.06Å; A136-I182 HydrophobicContact CB-CG2 4.42Å; S137-I182 WeakPolarHBondContact CB-O 3.34Å; V140-I182 HydrophobicContact CG2-CG2 3.9Å; L157-I182 HydrophobicContact CD1-CG2 4.04Å; L162-I182 HydrophobicContact CB-CD1 4.04Å; L162-I182 HydrophobicContact CD1-CD1 4.09Å; L163-I182 HydrophobicContact CD1-CD1 4.28Å; L163-I182 HydrophobicContact CG-CD1 4.18Å; W178-I182 VanDerWaalsContact O-CG1 3.3Å; W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 3.49Å; E179-I182 PolarHBondContact O-N 3.11Å; E180-I182 PolarHBondContact O-N 3.44Å; I182-T184 PolarHBondContact O-N 3.44Å; I182-W185 PolarHBondContact O-N 3.4Å; I182-Y186 VanDerWaalsContact O-CB 3.28Å; I182-Y186 WeakPolarHBondContact O-CB 3.45Å; I182-Y186 PolarHBondContact O-N 2.98Å
183	K	93.9	Very high	91.8	Very high	47 Å²	47	54.4 Å²	54.4	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-44.5	176	-176.5	-176.3	-178.6	-178.9	0	111.5	Y147 Y152 D154 E179 E180 W185 Y186 M187	Y147-K183 HydrophobicContact CE2-CG 4.2Å; Y152-K183 HydrophobicContact CE1-CD 3.64Å; Y152-K183 HydrophobicContact CE1-CG 4.23Å; D154-K183 IonicContact OD1-NZ 3.72Å; D154-K183 PolarHBondContact OD1-NZ 2.98Å; E179-K183 WeakPolarHBondContact O-CB 3.27Å; E179-K183 PolarHBondContact O-N 2.95Å; E180-K183 PolarHBondContact O-N 3.39Å; K183-W185 PolarHBondContact O-N 2.88Å; K183-Y186 PolarHBondContact O-N 2.97Å; K183-M187 WeakPolarHBondContact O-CG 3.49Å; K183-M187 PolarHBondContact O-N 2.88Å
184	T	92.6	Very high	91.9	Very high	61 Å²	61	59.6 Å²	59.6	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-52.9	-51.4	177.5	-56.9	0	0	0	0	111.8	E180 R181 I182	E180-T184 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-OG1 3.34Å; R181-T184 PolarHBondContact O-N 2.99Å; I182-T184 PolarHBondContact O-N 3.44Å
185	W	92.3	Very high	91.9	Very high	22 Å²	22	57.5 Å²	57.5	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-78.5	-21.5	-179.5	-62.4	106.6	0	0	0	114	L134 S137 R181 I182 K183 M187 D188 H189 Q579 T582 L583	L134-W185 HydrophobicContact CD1-CB 4.37Å; L134-W185 HydrophobicContact CD1-CG 4.44Å; S137-W185 WeakPolarHBondContact OG-CB 3.46Å; R181-W185 VanDerWaalsContact O-CD1 3.23Å; I182-W185 PolarHBondContact O-N 3.4Å; K183-W185 PolarHBondContact O-N 2.88Å; W185-M187 VanDerWaalsContact C-N 3.33Å; W185-D188 HydrophobicContact CE3-CB 4.36Å; W185-D188 VanDerWaalsContact CZ3-OD2 3.27Å; W185-D188 WeakPolarHBondContact CZ3-OD2 3.45Å; W185-D188 PolarHBondContact O-N 3.02Å; W185-H189 PolarHBondContact O-CD2 2.73Å; W185-H189 VanDerWaalsContact O-CD2 3.3Å; W185-H189 PolarHBondContact O-CE1 3.04Å; W185-H189 PolarHBondContact O-NE2 3.37Å; W185-H189 VanDerWaalsContact O-NE2 3.16Å; W185-Q579 HydrophobicContact CE3-CB 4.39Å; W185-Q579 HydrophobicContact CE3-CG 4Å; W185-Q579 HydrophobicContact CH2-CB 3.99Å; W185-Q579 HydrophobicContact CH2-CG 3.81Å; W185-Q579 HydrophobicContact CZ2-CB 4.37Å; W185-Q579 HydrophobicContact CZ3-CB 4.04Å; W185-Q579 HydrophobicContact CZ3-CG 3.47Å; W185-Q579 VanDerWaalsContact CZ3-CG 3.47Å; W185-T582 HydrophobicContact CH2-CG2 4.36Å; W185-T582 HydrophobicContact CZ2-CG2 3.95Å; W185-L583 HydrophobicContact CG-CD1 4.47Å; W185-L583 HydrophobicContact CZ2-CG 4.26Å
186	Y	94.1	Very high	92	Very high	6 Å²	6	55 Å²	55	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-35.3	174.8	172.4	-147.4	0	0	0	111.6	V140 H141 G145 P146 Y147 Y152 I182 K183	V140-Y186 HydrophobicContact CG1-CD1 3.49Å; V140-Y186 VanDerWaalsContact CG1-CD1 3.49Å; V140-Y186 HydrophobicContact CG1-CD2 4.03Å; V140-Y186 HydrophobicContact CG1-CE1 3.55Å; V140-Y186 HydrophobicContact CG1-CE2 4.1Å; V140-Y186 HydrophobicContact CG1-CG 3.77Å; H141-Y186 HydrophobicContact CB-CD2 3.81Å; H141-Y186 HydrophobicContact CB-CE2 3.72Å; H141-Y186 AromaticContact CD2-CE2 3.95Å; G145-Y186 VanDerWaalsContact O-CE2 3.27Å; G145-Y186 WeakPolarHBondContact O-CE2 3.4Å; G145-Y186 PolarHBondContact O-OH 3.28Å; P146-Y186 PolarHBondContact O-OH 3.48Å; Y147-Y186 AromaticContact CD2-CD1 3.7Å; Y147-Y186 HydrophobicContact CD2-CD1 3.7Å; Y147-Y186 AromaticContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CG 4.37Å; Y147-Y186 HydrophobicContact CG-CE1 4.42Å; Y152-Y186 HydrophobicContact CD2-CE1 4.09Å; Y152-Y186 HydrophobicContact CE2-CD1 4.36Å; Y152-Y186 HydrophobicContact CE2-CE1 4.13Å; I182-Y186 VanDerWaalsContact O-CB 3.28Å; I182-Y186 WeakPolarHBondContact O-CB 3.45Å; I182-Y186 PolarHBondContact O-N 2.98Å; K183-Y186 PolarHBondContact O-N 2.97Å
187	M	93	Very high	92.3	Very high	85 Å²	85	49.6 Å²	49.6	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-39.9	173.5	-60.1	-173.2	-47.5	0	0	112.7	Y147 K183 W185 H189 E190	Y147-M187 HydrophobicContact CD1-CB 4.42Å; Y147-M187 HydrophobicContact CD1-CG 3.75Å; Y147-M187 HydrophobicContact CD1-SD 4.49Å; Y147-M187 HydrophobicContact CD2-CG 3.87Å; Y147-M187 HydrophobicContact CE1-CG 3.83Å; Y147-M187 HydrophobicContact CE1-SD 4.01Å; Y147-M187 HydrophobicContact CE2-CG 3.94Å; Y147-M187 HydrophobicContact CE2-SD 4.49Å; Y147-M187 HydrophobicContact CG-CB 4.43Å; Y147-M187 HydrophobicContact CG-CG 3.77Å; K183-M187 WeakPolarHBondContact O-CG 3.49Å; K183-M187 PolarHBondContact O-N 2.88Å; W185-M187 VanDerWaalsContact C-N 3.33Å; M187-H189 PolarHBondContact O-N 3.23Å; M187-H189 VanDerWaalsContact O-N 3.08Å; M187-E190 PolarHBondContact O-N 2.83Å
188	D	90.5	Very high	92.5	Very high	88 Å²	88	47.2 Å²	47.2	47%	0.471	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.2	-176.3	-91	16.2	0	0	0	114.3	W185	W185-D188 HydrophobicContact CE3-CB 4.36Å; W185-D188 VanDerWaalsContact CZ3-OD2 3.27Å; W185-D188 WeakPolarHBondContact CZ3-OD2 3.45Å; W185-D188 PolarHBondContact O-N 3.02Å
189	H	90	Very high	92.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.019	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13	-178.4	-61.1	-32.1	0	0	0	114.1	S137 Y138 W185 M187 M192	S137-H189 PolarHBondContact OG-NE2 2.83Å; Y138-H189 AromaticContact CD1-CD2 3.79Å; Y138-H189 AromaticContact CD1-CE1 3.45Å; Y138-H189 VanDerWaalsContact CD1-CE1 3.45Å; Y138-H189 WeakPolarHBondContact CD1-CE1 3.4Å; Y138-H189 AromaticContact CD1-CG 3.99Å; Y138-H189 AromaticContact CD1-ND1 3.76Å; Y138-H189 AromaticContact CD1-NE2 3.44Å; Y138-H189 WeakPolarHBondContact CD1-NE2 3.29Å; Y138-H189 AromaticContact CE1-CE1 3.12Å; Y138-H189 WeakPolarHBondContact CE1-CE1 3.13Å; Y138-H189 AromaticContact CE1-CG 3.93Å; Y138-H189 AromaticContact CE1-ND1 3.27Å; Y138-H189 VanDerWaalsContact CE1-ND1 3.27Å; Y138-H189 WeakPolarHBondContact CE1-ND1 3.39Å; Y138-H189 AromaticContact CE1-NE2 3.66Å; Y138-H189 AromaticContact CE2-CE1 3.9Å; Y138-H189 AromaticContact CG-CE1 3.98Å; Y138-H189 AromaticContact CG-NE2 3.74Å; Y138-H189 AromaticContact CZ-CE1 3.37Å; Y138-H189 AromaticContact CZ-ND1 3.83Å; Y138-H189 PolarHBondContact N-NE2 2.98Å; W185-H189 PolarHBondContact O-CD2 2.73Å; W185-H189 VanDerWaalsContact O-CD2 3.3Å; W185-H189 PolarHBondContact O-CE1 3.04Å; W185-H189 PolarHBondContact O-NE2 3.37Å; W185-H189 VanDerWaalsContact O-NE2 3.16Å; M187-H189 PolarHBondContact O-N 3.23Å; M187-H189 VanDerWaalsContact O-N 3.08Å; H189-M192 VanDerWaalsContact O-CB 3.27Å; H189-M192 WeakPolarHBondContact O-CB 3.14Å; H189-M192 WeakPolarHBondContact O-CG 3.34Å; H189-M192 PolarHBondContact O-N 2.7Å
190	E	84.8	Confident	92.6	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	129.3	171.5	-168	-172.7	179.6	0	0	108.9	M187 K337	M187-E190 PolarHBondContact O-N 2.83Å; E190-K337 IonicContact OE1-NZ 2.71Å; E190-K337 PolarHBondContact OE1-NZ 3.2Å; E190-K337 VanDerWaalsContact OE1-NZ 3.09Å
191	P	86.3	Confident	92.8	Very high	68 Å²	68	42.2 Å²	42.2	44%	0.442	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	cis	-111.1	30.5	17.1	42.4	-35.3	0	0	0	114.8	R330 I334	P191-R330 VanDerWaalsContact O-CZ 3.27Å; P191-R330 PolarHBondContact O-NE 3Å; P191-R330 VanDerWaalsContact O-NE 3.13Å; P191-R330 PolarHBondContact O-NH2 2.86Å; P191-I334 HydrophobicContact CB-CD1 4.18Å; P191-I334 HydrophobicContact CG-CD1 4.35Å
192	M	89.4	Confident	92.9	Very high	43 Å²	43	39.2 Å²	39.2	21%	0.212	19%	0.194	C	C	.	.			trans	-58.5	139.2	-175	-66.4	176.6	63.6	0	0	112.1	Y138 H141 H189 E196 V197 E200	Y138-M192 HydrophobicContact CE1-CE 4.31Å; Y138-M192 HydrophobicContact CE1-SD 4.41Å; H141-M192 PolarHBondContact CE1-O 3.27Å; H141-M192 VanDerWaalsContact CE1-O 3.3Å; H189-M192 VanDerWaalsContact O-CB 3.27Å; H189-M192 WeakPolarHBondContact O-CB 3.14Å; H189-M192 WeakPolarHBondContact O-CG 3.34Å; H189-M192 PolarHBondContact O-N 2.7Å; M192-E196 HydrophobicContact CB-CB 4.23Å; M192-E196 HydrophobicContact CE-CB 4.06Å; M192-E196 WeakPolarHBondContact CE-O 3.41Å; M192-V197 HydrophobicContact CB-CG2 3.64Å; M192-V197 HydrophobicContact CE-CG2 4.08Å; M192-E200 HydrophobicContact CE-CB 3.9Å; M192-E200 HydrophobicContact CE-CG 4.4Å
193	T	91.2	Very high	92.9	Very high	43 Å²	43	40.7 Å²	40.7	26%	0.264	20%	0.2	S	C	.	.			trans	-79.7	161.7	171.7	48.2	0	0	0	0	110.9	D195 E196 V197	T193-D195 WeakPolarHBondContact CB-OD1 3.37Å; T193-D195 PolarHBondContact O-N 3.33Å; T193-D195 PolarHBondContact OG1-OD1 2.6Å; T193-E196 PolarHBondContact N-OE2 3.47Å; T193-E196 WeakPolarHBondContact O-CA 3.29Å; T193-E196 WeakPolarHBondContact O-CB 3.45Å; T193-E196 PolarHBondContact O-N 3.11Å; T193-E196 VanDerWaalsContact OG1-CD 3.29Å; T193-E196 VanDerWaalsContact OG1-CG 3.32Å; T193-E196 WeakPolarHBondContact OG1-CG 3.44Å; T193-E196 PolarHBondContact OG1-OE2 3.01Å; T193-V197 PolarHBondContact O-N 3.43Å
194	R	93.7	Very high	92.9	Very high	128 Å²	128	39 Å²	39	48%	0.483	19%	0.193	S	C	.	.	H	α-helix	trans	-55.1	-38.5	179.1	175.7	168.8	160.4	-178.4	-12.7	112.7	H110 V142 V197 E198	H110-R194 PolarHBondContact CE1-NH2 3.48Å; H110-R194 PolarHBondContact ND1-NH2 3.31Å; H110-R194 PolarHBondContact NE2-NH2 2.64Å; V142-R194 HydrophobicContact CG1-CG 4.15Å; R194-V197 PolarHBondContact O-N 3.42Å; R194-E198 HydrophobicContact CG-CG 4.35Å; R194-E198 VanDerWaalsContact CG-OE1 3.26Å; R194-E198 WeakPolarHBondContact CG-OE1 3.44Å; R194-E198 IonicContact CZ-OE1 2.63Å; R194-E198 IonicContact NE-OE1 3.54Å; R194-E198 PolarHBondContact NE-OE1 3.45Å; R194-E198 IonicContact NH2-OE1 3.9Å; R194-E198 WeakPolarHBondContact O-CB 3.4Å; R194-E198 VanDerWaalsContact O-CG 3.31Å; R194-E198 WeakPolarHBondContact O-CG 3.33Å; R194-E198 PolarHBondContact O-N 3.01Å
195	D	93.8	Very high	93	Very high	18 Å²	18	36.1 Å²	36.1	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-33.3	174.6	67.4	-67	0	0	0	113	E106 Q109 T193 M199 K323	E106-D195 HydrophobicContact CG-CB 4.15Å; Q109-D195 PolarHBondContact NE2-O 3.33Å; T193-D195 WeakPolarHBondContact CB-OD1 3.37Å; T193-D195 PolarHBondContact O-N 3.33Å; T193-D195 PolarHBondContact OG1-OD1 2.6Å; D195-M199 VanDerWaalsContact O-CB 3.23Å; D195-M199 WeakPolarHBondContact O-CB 3.39Å; D195-M199 PolarHBondContact O-N 3.46Å; D195-K323 IonicContact OD2-NZ 2.84Å; D195-K323 PolarHBondContact OD2-NZ 2.77Å
196	E	93.7	Very high	93.2	Very high	36 Å²	36	35.2 Å²	35.2	17%	0.168	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-38.3	174.6	-70.5	171.2	170.9	0	0	111.3	M192 T193 E200 R330	M192-E196 HydrophobicContact CB-CB 4.23Å; M192-E196 HydrophobicContact CE-CB 4.06Å; M192-E196 WeakPolarHBondContact CE-O 3.41Å; T193-E196 PolarHBondContact N-OE2 3.47Å; T193-E196 WeakPolarHBondContact O-CA 3.29Å; T193-E196 WeakPolarHBondContact O-CB 3.45Å; T193-E196 PolarHBondContact O-N 3.11Å; T193-E196 VanDerWaalsContact OG1-CD 3.29Å; T193-E196 VanDerWaalsContact OG1-CG 3.32Å; T193-E196 WeakPolarHBondContact OG1-CG 3.44Å; T193-E196 PolarHBondContact OG1-OE2 3.01Å; E196-E200 PolarHBondContact O-N 2.91Å; E196-R330 IonicContact OE1-CZ 3.63Å; E196-R330 IonicContact OE1-NH1 2.73Å; E196-R330 PolarHBondContact OE1-NH1 3.05Å; E196-R330 IonicContact OE1-NH2 3.58Å; E196-R330 IonicContact OE2-CZ 3.96Å; E196-R330 IonicContact OE2-NH1 2.91Å; E196-R330 PolarHBondContact OE2-NH1 3.06Å; E196-R330 IonicContact OE2-NH2 2.7Å; E196-R330 PolarHBondContact OE2-NH2 3.02Å
197	V	95.8	Very high	93.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-48.2	177.5	165.6	0	0	0	0	112.3	Y138 H141 V142 M192 T193 R194 M199 E200 Y201	Y138-V197 HydrophobicContact CD1-CG1 4.06Å; Y138-V197 VanDerWaalsContact O-CG1 3.24Å; Y138-V197 WeakPolarHBondContact O-CG1 3.48Å; H141-V197 HydrophobicContact CB-CG1 4.13Å; V142-V197 HydrophobicContact CG2-CB 4.45Å; V142-V197 HydrophobicContact CG2-CG1 3.52Å; M192-V197 HydrophobicContact CB-CG2 3.64Å; M192-V197 HydrophobicContact CE-CG2 4.08Å; T193-V197 PolarHBondContact O-N 3.43Å; R194-V197 PolarHBondContact O-N 3.42Å; V197-M199 VanDerWaalsContact C-N 3.28Å; V197-M199 PolarHBondContact O-N 2.93Å; V197-E200 PolarHBondContact O-N 2.86Å; V197-Y201 PolarHBondContact O-N 3.35Å
198	E	97.6	Very high	93.1	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-35.9	177.3	-72.2	174.7	-168.5	0	0	111.8	H110 F113 V142 R194 L202	H110-E198 VanDerWaalsContact CA-OE2 3.3Å; H110-E198 WeakPolarHBondContact CA-OE2 3.29Å; H110-E198 WeakPolarHBondContact CB-OE2 3.27Å; H110-E198 IonicContact CE1-OE1 2.76Å; H110-E198 PolarHBondContact CE1-OE1 2.84Å; H110-E198 IonicContact CG-OE1 3.57Å; H110-E198 IonicContact CG-OE2 2.66Å; H110-E198 IonicContact ND1-OE1 2.66Å; H110-E198 PolarHBondContact ND1-OE1 3.48Å; H110-E198 IonicContact ND1-OE2 2.63Å; H110-E198 PolarHBondContact ND1-OE2 2.94Å; F113-E198 HydrophobicContact CB-CB 4.16Å; F113-E198 HydrophobicContact CB-CG 4.23Å; F113-E198 HydrophobicContact CD1-CG 3.93Å; F113-E198 HydrophobicContact CD2-CB 4.47Å; F113-E198 HydrophobicContact CD2-CG 4.23Å; F113-E198 HydrophobicContact CE1-CG 4.4Å; F113-E198 HydrophobicContact CG-CB 4.2Å; F113-E198 HydrophobicContact CG-CG 3.85Å; V142-E198 HydrophobicContact CB-CG 4.47Å; V142-E198 HydrophobicContact CG1-CG 4.03Å; V142-E198 VanDerWaalsContact CG1-OE1 3.27Å; V142-E198 WeakPolarHBondContact CG1-OE1 3.41Å; V142-E198 HydrophobicContact CG2-CG 3.53Å; R194-E198 HydrophobicContact CG-CG 4.35Å; R194-E198 VanDerWaalsContact CG-OE1 3.26Å; R194-E198 WeakPolarHBondContact CG-OE1 3.44Å; R194-E198 IonicContact CZ-OE1 2.63Å; R194-E198 IonicContact NE-OE1 3.54Å; R194-E198 PolarHBondContact NE-OE1 3.45Å; R194-E198 IonicContact NH2-OE1 3.9Å; R194-E198 WeakPolarHBondContact O-CB 3.4Å; R194-E198 VanDerWaalsContact O-CG 3.31Å; R194-E198 WeakPolarHBondContact O-CG 3.33Å; R194-E198 PolarHBondContact O-N 3.01Å; E198-L202 WeakPolarHBondContact O-CB 3.45Å; E198-L202 WeakPolarHBondContact O-CG 3.32Å; E198-L202 PolarHBondContact O-N 3.15Å; E198-L202 VanDerWaalsContact O-N 3.1Å
199	M	95.8	Very high	93.4	Very high	21 Å²	21	30.6 Å²	30.6	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-42.8	173.1	175.5	53.6	58.3	0	0	112.1	V99 Q109 D195 V197 L202 K203	V99-M199 HydrophobicContact CG2-SD 4.02Å; Q109-M199 HydrophobicContact CG-CE 4.18Å; D195-M199 VanDerWaalsContact O-CB 3.23Å; D195-M199 WeakPolarHBondContact O-CB 3.39Å; D195-M199 PolarHBondContact O-N 3.46Å; V197-M199 VanDerWaalsContact C-N 3.28Å; V197-M199 PolarHBondContact O-N 2.93Å; M199-L202 PolarHBondContact O-N 3.28Å; M199-K203 HydrophobicContact CG-CD 4.13Å; M199-K203 HydrophobicContact CG-CG 4.49Å; M199-K203 VanDerWaalsContact O-CG 3.29Å; M199-K203 WeakPolarHBondContact O-CG 3.46Å; M199-K203 PolarHBondContact O-N 3.21Å; M199-K203 HydrophobicContact SD-CD 4.23Å; M199-K203 HydrophobicContact SD-CG 4Å
200	E	93.7	Very high	93.7	Very high	30 Å²	30	31 Å²	31	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-70.1	-36.8	179.1	-146.4	62.9	-144.2	0	0	112.4	Y138 M192 E196 V197 L202 K203 I204 Y569	Y138-E200 HydrophobicContact CE1-CB 4.11Å; Y138-E200 HydrophobicContact CE1-CG 4.36Å; M192-E200 HydrophobicContact CE-CB 3.9Å; M192-E200 HydrophobicContact CE-CG 4.4Å; E196-E200 PolarHBondContact O-N 2.91Å; V197-E200 PolarHBondContact O-N 2.86Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.71Å; E200-K203 PolarHBondContact O-N 3.17Å; E200-K203 WeakPolarHBondContact OE1-CD 3.49Å; E200-K203 IonicContact OE1-NZ 3.2Å; E200-K203 VanDerWaalsContact OE2-CD 3.26Å; E200-K203 WeakPolarHBondContact OE2-CD 3.38Å; E200-K203 IonicContact OE2-NZ 3.5Å; E200-K203 PolarHBondContact OE2-NZ 2.93Å; E200-I204 WeakPolarHBondContact O-CG1 3.45Å; E200-I204 PolarHBondContact O-N 2.86Å; E200-I204 VanDerWaalsContact O-N 3.11Å; E200-Y569 WeakPolarHBondContact OE1-CE2 3.33Å; E200-Y569 VanDerWaalsContact OE1-CZ 3.31Å; E200-Y569 PolarHBondContact OE1-OH 3.16Å
201	Y	97.1	Very high	94.3	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-53.3	-51.8	167.2	-173.5	-71.3	0	0	0	110.9	F113 V116 K117 I120 L135 A139 V197 K203 I204 A205	F113-Y201 AromaticContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD2 4.07Å; F113-Y201 HydrophobicContact CD2-CE1 4.32Å; F113-Y201 AromaticContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CE2-CD1 4.18Å; F113-Y201 AromaticContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CE2 4.04Å; F113-Y201 AromaticContact CE2-CG 3.78Å; F113-Y201 HydrophobicContact CE2-CG 3.78Å; V116-Y201 HydrophobicContact CG1-CE1 4.24Å; K117-Y201 WeakPolarHBondContact CA-OH 2.85Å; K117-Y201 HydrophobicContact CB-CE1 4.35Å; I120-Y201 HydrophobicContact CD1-CE1 4.44Å; L135-Y201 HydrophobicContact CB-CD2 4.14Å; L135-Y201 HydrophobicContact CB-CE2 3.59Å; L135-Y201 HydrophobicContact CD2-CD1 4.04Å; L135-Y201 HydrophobicContact CD2-CD2 3.73Å; L135-Y201 HydrophobicContact CD2-CE1 4.13Å; L135-Y201 HydrophobicContact CD2-CE2 3.86Å; L135-Y201 HydrophobicContact CD2-CG 3.79Å; L135-Y201 WeakPolarHBondContact CD2-O 3.33Å; L135-Y201 HydrophobicContact CG-CE2 4.24Å; L135-Y201 WeakPolarHBondContact O-CD2 3.16Å; L135-Y201 WeakPolarHBondContact O-CE2 3.17Å; A139-Y201 HydrophobicContact CB-CD2 4.48Å; A139-Y201 HydrophobicContact CB-CE2 4.12Å; V197-Y201 PolarHBondContact O-N 3.35Å; Y201-K203 PolarHBondContact O-N 3.11Å; Y201-I204 PolarHBondContact O-N 3.39Å; Y201-A205 HydrophobicContact CD1-CB 4.36Å; Y201-A205 HydrophobicContact CE1-CB 4.23Å; Y201-A205 VanDerWaalsContact O-CB 3.3Å; Y201-A205 WeakPolarHBondContact O-CB 3.3Å; Y201-A205 PolarHBondContact O-N 3.47Å
202	L	97.4	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-36.9	-178.5	-77.2	172.6	0	0	0	113	V99 L103 Q109 F112 F113 V116 E198 M199 E200 I204 A205 Q206	V99-L202 HydrophobicContact CB-CB 4.3Å; V99-L202 HydrophobicContact CG1-CB 4.26Å; V99-L202 HydrophobicContact CG2-CB 4.04Å; L103-L202 HydrophobicContact CD1-CD1 4.07Å; Q109-L202 HydrophobicContact CG-CD1 3.91Å; F112-L202 HydrophobicContact CB-CD1 3.91Å; F112-L202 HydrophobicContact CB-CD2 4.14Å; F113-L202 HydrophobicContact CB-CD1 4.31Å; F113-L202 HydrophobicContact CB-CG 4.36Å; V116-L202 HydrophobicContact CB-CD2 4.1Å; V116-L202 HydrophobicContact CG1-CD2 4.46Å; V116-L202 HydrophobicContact CG2-CD2 3.91Å; E198-L202 WeakPolarHBondContact O-CB 3.45Å; E198-L202 WeakPolarHBondContact O-CG 3.32Å; E198-L202 PolarHBondContact O-N 3.15Å; E198-L202 VanDerWaalsContact O-N 3.1Å; M199-L202 PolarHBondContact O-N 3.28Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.71Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 3.23Å; L202-A205 PolarHBondContact O-N 3.33Å; L202-Q206 WeakPolarHBondContact O-CB 3.36Å; L202-Q206 PolarHBondContact O-N 2.98Å
203	K	94.2	Very high	95.2	Very high	36 Å²	36	22.6 Å²	22.6	16%	0.157	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-34.2	176.7	-76.6	162.9	170.1	179.8	0	113.2	V99 M199 E200 Y201 Q206 Y569	V99-K203 HydrophobicContact CG2-CB 4.46Å; V99-K203 HydrophobicContact CG2-CG 3.87Å; M199-K203 HydrophobicContact CG-CD 4.13Å; M199-K203 HydrophobicContact CG-CG 4.49Å; M199-K203 VanDerWaalsContact O-CG 3.29Å; M199-K203 WeakPolarHBondContact O-CG 3.46Å; M199-K203 PolarHBondContact O-N 3.21Å; M199-K203 HydrophobicContact SD-CD 4.23Å; M199-K203 HydrophobicContact SD-CG 4Å; E200-K203 PolarHBondContact O-N 3.17Å; E200-K203 WeakPolarHBondContact OE1-CD 3.49Å; E200-K203 IonicContact OE1-NZ 3.2Å; E200-K203 VanDerWaalsContact OE2-CD 3.26Å; E200-K203 WeakPolarHBondContact OE2-CD 3.38Å; E200-K203 IonicContact OE2-NZ 3.5Å; E200-K203 PolarHBondContact OE2-NZ 2.93Å; Y201-K203 PolarHBondContact O-N 3.11Å; K203-Q206 WeakPolarHBondContact O-CG 3.28Å; K203-Q206 PolarHBondContact O-NE2 3.45Å; K203-Y569 HydrophobicContact CB-CE1 3.92Å; K203-Y569 HydrophobicContact CB-CE2 4.38Å; K203-Y569 HydrophobicContact CD-CD2 4.4Å; K203-Y569 HydrophobicContact CD-CE2 3.77Å; K203-Y569 HydrophobicContact CG-CE2 4.47Å
204	I	93.3	Very high	95.5	Very high	11 Å²	11	22.7 Å²	22.7	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-77.5	-41.8	174.5	-65.1	169	0	0	0	110.1	L134 L135 Y138 E200 Y201 L202 Q206 D207 V576	L134-I204 HydrophobicContact CD2-CD1 4.15Å; L135-I204 HydrophobicContact CD2-CB 3.97Å; L135-I204 HydrophobicContact CD2-CG2 3.89Å; L135-I204 HydrophobicContact CG-CG2 4.23Å; Y138-I204 HydrophobicContact CD2-CD1 4.3Å; Y138-I204 HydrophobicContact CE2-CD1 3.54Å; E200-I204 WeakPolarHBondContact O-CG1 3.45Å; E200-I204 PolarHBondContact O-N 2.86Å; E200-I204 VanDerWaalsContact O-N 3.11Å; Y201-I204 PolarHBondContact O-N 3.39Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 3.23Å; I204-Q206 VanDerWaalsContact C-N 3.35Å; I204-Q206 PolarHBondContact O-N 3.46Å; I204-D207 PolarHBondContact O-N 2.88Å; I204-V576 HydrophobicContact CD1-CG1 3.88Å; I204-V576 HydrophobicContact CD1-CG2 4.1Å; I204-V576 HydrophobicContact CG1-CG1 4.07Å
205	A	96.3	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-29.3	-178.4	0	0	0	0	0	113.6	V116 I120 L135 Y201 L202 D207 L208 Y211	V116-A205 HydrophobicContact CG1-CB 3.58Å; I120-A205 HydrophobicContact CD1-CB 4.15Å; L135-A205 HydrophobicContact CD1-CB 4.49Å; Y201-A205 HydrophobicContact CD1-CB 4.36Å; Y201-A205 HydrophobicContact CE1-CB 4.23Å; Y201-A205 VanDerWaalsContact O-CB 3.3Å; Y201-A205 WeakPolarHBondContact O-CB 3.3Å; Y201-A205 PolarHBondContact O-N 3.47Å; L202-A205 PolarHBondContact O-N 3.33Å; A205-D207 PolarHBondContact O-N 3.39Å; A205-L208 HydrophobicContact CB-CD1 4.48Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 WeakPolarHBondContact O-CG 3.43Å; A205-L208 PolarHBondContact O-N 3.09Å; A205-Y211 HydrophobicContact CB-CD2 4.49Å; A205-Y211 VanDerWaalsContact O-CB 3.3Å; A205-Y211 WeakPolarHBondContact O-CB 3.37Å; A205-Y211 VanDerWaalsContact O-CD2 3.27Å; A205-Y211 WeakPolarHBondContact O-CD2 3.47Å
206	Q	94.8	Very high	95.9	Very high	4 Å²	4	18 Å²	18	2%	0.019	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.9	178.4	84.1	-167	-34.9	0	0	113.2	V99 L202 K203 I204 L208 Y211 K613 Y614	V99-Q206 HydrophobicContact CG1-CB 4.2Å; L202-Q206 WeakPolarHBondContact O-CB 3.36Å; L202-Q206 PolarHBondContact O-N 2.98Å; K203-Q206 WeakPolarHBondContact O-CG 3.28Å; K203-Q206 PolarHBondContact O-NE2 3.45Å; I204-Q206 VanDerWaalsContact C-N 3.35Å; I204-Q206 PolarHBondContact O-N 3.46Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; Q206-Y211 HydrophobicContact CB-CD1 4.05Å; Q206-Y211 HydrophobicContact CB-CE1 3.73Å; Q206-Y211 HydrophobicContact CB-CE2 4.3Å; Q206-Y211 HydrophobicContact CB-CG 4.49Å; Q206-K613 PolarHBondContact O-NZ 2.92Å; Q206-Y614 PolarHBondContact O-OH 2.9Å
207	D	91.7	Very high	96.1	Very high	39 Å²	39	19.5 Å²	19.5	21%	0.209	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.7	-176.1	-62.2	-5.4	0	0	0	112.7	I204 A205 H566 L570 K613 Y614	I204-D207 PolarHBondContact O-N 2.88Å; A205-D207 PolarHBondContact O-N 3.39Å; D207-H566 IonicContact OD1-CE1 3.79Å; D207-H566 PolarHBondContact OD1-CE1 3.22Å; D207-H566 IonicContact OD1-NE2 3.17Å; D207-L570 WeakPolarHBondContact OD2-CD2 3.42Å; D207-K613 WeakPolarHBondContact O-CD 3.44Å; D207-Y614 HydrophobicContact CB-CE2 4.29Å; D207-Y614 PolarHBondContact OD1-OH 3.27Å
208	L	94.6	Very high	96.1	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.089	10%	0.104	C	C	.	.	S	Bend	trans	-65.2	133.2	176.7	-58.8	174.7	0	0	0	110.1	I120 I125 C127 A205 Q206 M210 Y211 K613	I120-L208 HydrophobicContact CD1-CD1 3.73Å; I120-L208 HydrophobicContact CG1-CD1 4.22Å; I125-L208 HydrophobicContact CG2-CB 4.09Å; I125-L208 HydrophobicContact CG2-CD1 3.78Å; C127-L208 HydrophobicContact CB-CD1 4.04Å; C127-L208 HydrophobicContact CB-CD2 4.49Å; A205-L208 HydrophobicContact CB-CD1 4.48Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 WeakPolarHBondContact O-CG 3.43Å; A205-L208 PolarHBondContact O-N 3.09Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; L208-M210 PolarHBondContact O-N 2.95Å; L208-M210 VanDerWaalsContact O-N 3.11Å; L208-Y211 VanDerWaalsContact O-CB 3.29Å; L208-Y211 WeakPolarHBondContact O-CB 3.27Å; L208-Y211 PolarHBondContact O-N 2.94Å; L208-K613 PolarHBondContact O-NZ 2.79Å
209	D	95.3	Very high	96.1	Very high	26 Å²	26	20.9 Å²	20.9	14%	0.139	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.9	-169.8	-56.5	-90.8	0	0	0	113.8	L244 K613	D209-L244 HydrophobicContact CB-CB 4.43Å; D209-L244 HydrophobicContact CB-CD2 4.44Å; D209-K613 VanDerWaalsContact OD1-CA 3.3Å; D209-K613 WeakPolarHBondContact OD1-CA 2.92Å; D209-K613 WeakPolarHBondContact OD1-CB 3.18Å; D209-K613 PolarHBondContact OD1-N 2.61Å
210	M	97.7	Very high	96.1	Very high	13 Å²	13	20 Å²	20	6%	0.064	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.4	176.9	-58.1	-170.3	64.3	0	0	114.4	D124 I125 Y126 L208 G212 V213 Y215 K243 L244	D124-M210 WeakPolarHBondContact O-CE 3.25Å; I125-M210 HydrophobicContact CG2-CB 4.27Å; Y126-M210 WeakPolarHBondContact CB-SD 3.16Å; L208-M210 PolarHBondContact O-N 2.95Å; L208-M210 VanDerWaalsContact O-N 3.11Å; M210-G212 PolarHBondContact O-N 3.41Å; M210-V213 PolarHBondContact O-N 2.94Å; M210-Y215 HydrophobicContact CB-CE2 4.29Å; M210-Y215 HydrophobicContact CE-CD2 4.33Å; M210-Y215 HydrophobicContact CE-CE2 3.67Å; M210-Y215 HydrophobicContact CG-CE2 4.4Å; M210-Y215 WeakPolarHBondContact CG-OH 3.37Å; M210-K243 HydrophobicContact CE-CB 4.38Å; M210-K243 HydrophobicContact CE-CD 4.25Å; M210-L244 HydrophobicContact CG-CD2 3.67Å; M210-L244 HydrophobicContact SD-CD2 3.89Å
211	Y	97.7	Very high	96.1	Very high	14 Å²	14	23.2 Å²	23.2	6%	0.055	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	128.5	-178.8	172.4	-80.6	0	0	0	111.7	F95 V99 V116 I125 A205 Q206 L208 V213 K613	F95-Y211 AromaticContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE2 4.14Å; F95-Y211 AromaticContact CD1-CZ 3.65Å; F95-Y211 HydrophobicContact CE1-CE2 4.21Å; V99-Y211 WeakPolarHBondContact CG1-OH 3.31Å; V116-Y211 HydrophobicContact CG1-CD2 4.08Å; V116-Y211 HydrophobicContact CG1-CE2 4.04Å; V116-Y211 HydrophobicContact CG2-CD2 4.32Å; V116-Y211 HydrophobicContact CG2-CE2 3.72Å; I125-Y211 HydrophobicContact CD1-CD2 4.4Å; A205-Y211 HydrophobicContact CB-CD2 4.49Å; A205-Y211 VanDerWaalsContact O-CB 3.3Å; A205-Y211 WeakPolarHBondContact O-CB 3.37Å; A205-Y211 VanDerWaalsContact O-CD2 3.27Å; A205-Y211 WeakPolarHBondContact O-CD2 3.47Å; Q206-Y211 HydrophobicContact CB-CD1 4.05Å; Q206-Y211 HydrophobicContact CB-CE1 3.73Å; Q206-Y211 HydrophobicContact CB-CE2 4.3Å; Q206-Y211 HydrophobicContact CB-CG 4.49Å; L208-Y211 VanDerWaalsContact O-CB 3.29Å; L208-Y211 WeakPolarHBondContact O-CB 3.27Å; L208-Y211 PolarHBondContact O-N 2.94Å; Y211-V213 VanDerWaalsContact C-N 3.26Å; Y211-V213 PolarHBondContact O-N 2.87Å; Y211-K613 PolarHBondContact O-NZ 3.17Å; Y211-K613 VanDerWaalsContact O-NZ 3.16Å
212	G	97	Very high	96	Very high	7 Å²	7	27.5 Å²	27.5	7%	0.072	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	9.1	177.9	0	0	0	0	0	114.9	M210	M210-G212 PolarHBondContact O-N 3.41Å
213	V	97.9	Very high	95.9	Very high	20 Å²	20	35.6 Å²	35.6	12%	0.121	18%	0.178	C	C	.	.			trans	-100.1	115.8	-175.7	-170.4	0	0	0	0	111.2	M210 Y211 Y215 T231 Y238	M210-V213 PolarHBondContact O-N 2.94Å; Y211-V213 VanDerWaalsContact C-N 3.26Å; Y211-V213 PolarHBondContact O-N 2.87Å; V213-Y215 HydrophobicContact CB-CD2 4.19Å; V213-Y215 HydrophobicContact CB-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CD1 4.15Å; V213-Y215 HydrophobicContact CG1-CD2 3.94Å; V213-Y215 HydrophobicContact CG1-CE1 3.79Å; V213-Y215 HydrophobicContact CG1-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CG 4.22Å; V213-Y215 VanDerWaalsContact CG1-CZ 3.47Å; V213-Y215 WeakPolarHBondContact O-CD2 3.26Å; V213-T231 HydrophobicContact CB-CG2 4.31Å; V213-T231 HydrophobicContact CG1-CG2 4.08Å; V213-T231 HydrophobicContact CG2-CG2 3.92Å; V213-Y238 HydrophobicContact CG1-CE2 4.34Å
214	N	97.4	Very high	96	Very high	44 Å²	44	36.2 Å²	36.2	24%	0.235	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.9	172.2	-69.2	-103.2	0	0	0	109.2	F216 G229 V230 L293	N214-F216 HydrophobicContact CB-CE2 3.75Å; N214-F216 HydrophobicContact CB-CZ 4.3Å; N214-F216 WeakPolarHBondContact O-CD2 3.49Å; N214-F216 WeakPolarHBondContact O-CE2 3.27Å; N214-G229 WeakPolarHBondContact O-CA 3.43Å; N214-V230 HydrophobicContact CB-CB 4.31Å; N214-V230 PolarHBondContact N-O 3.01Å; N214-V230 PolarHBondContact O-N 3.4Å; N214-L293 HydrophobicContact CB-CD1 3.95Å
215	Y	97.5	Very high	96.2	Very high	38 Å²	38	41.4 Å²	41.4	15%	0.149	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.9	-174.8	-67.9	-89.7	0	0	0	113.4	M210 V213 W227 L228 Y238 K243	M210-Y215 HydrophobicContact CB-CE2 4.29Å; M210-Y215 HydrophobicContact CE-CD2 4.33Å; M210-Y215 HydrophobicContact CE-CE2 3.67Å; M210-Y215 HydrophobicContact CG-CE2 4.4Å; M210-Y215 WeakPolarHBondContact CG-OH 3.37Å; V213-Y215 HydrophobicContact CB-CD2 4.19Å; V213-Y215 HydrophobicContact CB-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CD1 4.15Å; V213-Y215 HydrophobicContact CG1-CD2 3.94Å; V213-Y215 HydrophobicContact CG1-CE1 3.79Å; V213-Y215 HydrophobicContact CG1-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CG 4.22Å; V213-Y215 VanDerWaalsContact CG1-CZ 3.47Å; V213-Y215 WeakPolarHBondContact O-CD2 3.26Å; Y215-W227 HydrophobicContact CD1-CB 4.26Å; Y215-L228 CarbonylContact C-O 3.51Å; Y215-L228 WeakPolarHBondContact CA-O 3.43Å; Y215-Y238 HydrophobicContact CD1-CD2 4.41Å; Y215-Y238 HydrophobicContact CD1-CE2 4.44Å; Y215-Y238 HydrophobicContact CE1-CD1 4.39Å; Y215-Y238 HydrophobicContact CE1-CD2 4.04Å; Y215-Y238 HydrophobicContact CE1-CE1 4.19Å; Y215-Y238 AromaticContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CG 4.32Å; Y215-Y238 AromaticContact CE1-CZ 3.93Å; Y215-K243 HydrophobicContact CD1-CB 4.39Å; Y215-K243 HydrophobicContact CD1-CD 3.91Å; Y215-K243 HydrophobicContact CD1-CG 4Å; Y215-K243 HydrophobicContact CE1-CB 3.74Å; Y215-K243 HydrophobicContact CE1-CD 4.07Å; Y215-K243 HydrophobicContact CE1-CG 3.85Å; Y215-K243 HydrophobicContact CG-CD 4.15Å; Y215-K243 PolarHBondContact OH-O 3.46Å
216	F	97.3	Very high	96.3	Very high	11 Å²	11	41.8 Å²	41.8	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.2	178.3	-63.7	-78.3	0	0	0	112.1	N214 I218 W227 L228 V230 I286 M289 I290 L293	N214-F216 HydrophobicContact CB-CE2 3.75Å; N214-F216 HydrophobicContact CB-CZ 4.3Å; N214-F216 WeakPolarHBondContact O-CD2 3.49Å; N214-F216 WeakPolarHBondContact O-CE2 3.27Å; F216-I218 PolarHBondContact O-N 3.21Å; F216-W227 CarbonylContact O-C 3.47Å; F216-W227 VanDerWaalsContact O-CA 3.3Å; F216-W227 WeakPolarHBondContact O-CA 3.36Å; F216-L228 HydrophobicContact CB-CB 4.38Å; F216-L228 PolarHBondContact N-O 3.02Å; F216-L228 PolarHBondContact O-N 3.29Å; F216-V230 HydrophobicContact CD2-CG2 4.01Å; F216-V230 HydrophobicContact CE2-CG2 3.93Å; F216-I286 HydrophobicContact CD1-CG2 3.71Å; F216-I286 HydrophobicContact CE1-CG2 4.31Å; F216-M289 HydrophobicContact CE1-CE 3.81Å; F216-M289 HydrophobicContact CE1-CG 4.39Å; F216-M289 HydrophobicContact CZ-CE 4.28Å; F216-M289 HydrophobicContact CZ-CG 4.24Å; F216-I290 HydrophobicContact CB-CD1 3.9Å; F216-I290 HydrophobicContact CB-CG1 4.14Å; F216-I290 HydrophobicContact CD1-CD1 4.02Å; F216-I290 HydrophobicContact CD1-CG1 3.62Å; F216-I290 HydrophobicContact CD2-CD1 4.37Å; F216-I290 HydrophobicContact CD2-CG1 3.66Å; F216-I290 HydrophobicContact CE1-CG1 3.87Å; F216-I290 HydrophobicContact CE2-CG1 3.91Å; F216-I290 HydrophobicContact CG-CD1 3.82Å; F216-I290 HydrophobicContact CG-CG1 3.5Å; F216-I290 HydrophobicContact CZ-CG1 4.02Å; F216-L293 HydrophobicContact CE2-CD1 3.86Å; F216-L293 HydrophobicContact CZ-CD1 3.58Å
217	P	97.2	Very high	96.4	Very high	67 Å²	67	44.5 Å²	44.5	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124.2	175.4	30.8	-32.7	0	0	0	110.1	W227	P217-W227 HydrophobicContact CB-CE3 4.36Å; P217-W227 HydrophobicContact CB-CZ3 4.21Å; P217-W227 HydrophobicContact CG-CZ3 4.43Å
218	I	97.5	Very high	96.7	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	168.6	-178.8	61.8	153.8	0	0	0	111.3	F216 L226 L228 I237 F279 Y280 F632	F216-I218 PolarHBondContact O-N 3.21Å; I218-L226 HydrophobicContact CD1-CB 4.31Å; I218-L226 HydrophobicContact CG1-CB 4.03Å; I218-L226 WeakPolarHBondContact CG1-O 3.48Å; I218-L226 PolarHBondContact N-O 3Å; I218-L226 PolarHBondContact O-N 2.74Å; I218-L226 VanDerWaalsContact O-O 3.06Å; I218-L228 HydrophobicContact CD1-CB 4.01Å; I218-L228 HydrophobicContact CG1-CB 4.17Å; I218-L228 HydrophobicContact CG2-CB 3.86Å; I218-I237 HydrophobicContact CD1-CD1 4.11Å; I218-F279 HydrophobicContact CB-CD2 3.84Å; I218-F279 HydrophobicContact CB-CG 4.48Å; I218-F279 HydrophobicContact CD1-CB 3.91Å; I218-F279 HydrophobicContact CD1-CD2 4.2Å; I218-F279 HydrophobicContact CD1-CG 4.06Å; I218-F279 HydrophobicContact CG2-CD2 3.46Å; I218-F279 VanDerWaalsContact CG2-CD2 3.46Å; I218-F279 HydrophobicContact CG2-CE2 3.65Å; I218-F279 HydrophobicContact CG2-CG 4.4Å; I218-Y280 CarbonylContact C-O 3.54Å; I218-Y280 VanDerWaalsContact CA-O 3.26Å; I218-Y280 WeakPolarHBondContact CA-O 3.31Å; I218-F632 HydrophobicContact CD1-CE2 4.19Å; I218-F632 HydrophobicContact CD1-CZ 4.44Å
219	T	97.4	Very high	96.9	Very high	29 Å²	29	41.9 Å²	41.9	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.5	162.4	69.4	0	0	0	0	112.2	T224 F279 Y280	T219-T224 WeakPolarHBondContact CA-O 3.45Å; T219-T224 WeakPolarHBondContact CB-O 3.45Å; T219-F279 CarbonylContact O-C 3.52Å; T219-F279 WeakPolarHBondContact O-CA 3.19Å; T219-Y280 PolarHBondContact N-O 2.79Å; T219-Y280 PolarHBondContact O-N 2.62Å
220	N	95.6	Very high	97	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.199	C	C	.	.			trans	-81.8	-170.4	167	72	-0.1	0	0	0	111.5	N222 K223 T224 L226 F632 L635	N220-N222 VanDerWaalsContact C-N 3.31Å; N220-N222 PolarHBondContact O-N 3.17Å; N220-N222 WeakPolarHBondContact OD1-CA 3.49Å; N220-N222 WeakPolarHBondContact OD1-CB 3.31Å; N220-N222 PolarHBondContact OD1-N 2.8Å; N220-K223 PolarHBondContact O-N 3.03Å; N220-K223 PolarHBondContact OD1-N 2.81Å; N220-T224 PolarHBondContact N-O 3.34Å; N220-T224 PolarHBondContact OD1-N 2.79Å; N220-T224 VanDerWaalsContact OD1-N 3.09Å; N220-L226 HydrophobicContact CB-CD1 4.4Å; N220-F632 HydrophobicContact CB-CD1 4.23Å; N220-F632 HydrophobicContact CB-CE1 3.43Å; N220-F632 VanDerWaalsContact CB-CE1 3.43Å; N220-F632 HydrophobicContact CB-CE2 4.09Å; N220-F632 HydrophobicContact CB-CZ 3.35Å; N220-F632 PolarHBondContact ND2-O 2.93Å; N220-L635 PolarHBondContact ND2-OXT 2.94Å
221	K	94	Very high	97	Very high	98 Å²	98	40.6 Å²	40.6	43%	0.426	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-31	177.3	-66.9	-172.7	-166.2	83.5	0	113.7	K223 Y280 E633	K221-K223 PolarHBondContact O-N 3.48Å; K221-Y280 HydrophobicContact CG-CE2 4.13Å; K221-E633 WeakPolarHBondContact CD-OE2 3.44Å; K221-E633 VanDerWaalsContact CG-OE2 3.23Å; K221-E633 WeakPolarHBondContact CG-OE2 3.4Å; K221-E633 IonicContact NZ-OE1 3.39Å; K221-E633 PolarHBondContact NZ-OE1 2.8Å; K221-E633 IonicContact NZ-OE2 3.91Å; K221-E633 PolarHBondContact NZ-OE2 3.42Å
222	N	94	Very high	96.9	Very high	97 Å²	97	40.5 Å²	40.5	52%	0.519	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.7	176.7	-56.5	-24.3	0	0	0	112.5	N220 T224 E633 L635	N220-N222 VanDerWaalsContact C-N 3.31Å; N220-N222 PolarHBondContact O-N 3.17Å; N220-N222 WeakPolarHBondContact OD1-CA 3.49Å; N220-N222 WeakPolarHBondContact OD1-CB 3.31Å; N220-N222 PolarHBondContact OD1-N 2.8Å; N222-T224 VanDerWaalsContact C-N 3.25Å; N222-E633 PolarHBondContact ND2-O 3.13Å; N222-L635 PolarHBondContact ND2-OXT 2.97Å
223	K	94.6	Very high	96.8	Very high	170 Å²	170	42.1 Å²	42.1	74%	0.739	21%	0.209	S	C	*	.			trans	69.7	16.6	-171.5	-49.7	173.9	-175.1	171.6	0	113.7	N220 K221 K225	N220-K223 PolarHBondContact O-N 3.03Å; N220-K223 PolarHBondContact OD1-N 2.81Å; K221-K223 PolarHBondContact O-N 3.48Å; K223-K225 PolarHBondContact O-N 3.21Å
224	T	97	Very high	96.6	Very high	49 Å²	49	41.2 Å²	41.2	30%	0.301	20%	0.204	S	C	.	.			trans	-60	130.1	167.4	-60.6	0	0	0	0	108.8	T219 N220 N222 L226 L635	T219-T224 WeakPolarHBondContact CA-O 3.45Å; T219-T224 WeakPolarHBondContact CB-O 3.45Å; N220-T224 PolarHBondContact N-O 3.34Å; N220-T224 PolarHBondContact OD1-N 2.79Å; N220-T224 VanDerWaalsContact OD1-N 3.09Å; N222-T224 VanDerWaalsContact C-N 3.25Å; T224-L226 HydrophobicContact CG2-CD2 4.1Å; T224-L226 HydrophobicContact CG2-CG 4.2Å; T224-L635 VanDerWaalsContact CB-O 3.24Å; T224-L635 WeakPolarHBondContact CB-O 3.43Å; T224-L635 WeakPolarHBondContact CG2-O 3.33Å; T224-L635 VanDerWaalsContact OG1-C 3.25Å; T224-L635 PolarHBondContact OG1-O 2.8Å; T224-L635 PolarHBondContact OG1-OXT 3.17Å
225	K	97.5	Very high	96.6	Very high	119 Å²	119	39.1 Å²	39.1	52%	0.517	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130	176.6	-62.7	175.1	179.2	173.5	0	110	K223 E240	K223-K225 PolarHBondContact O-N 3.21Å; K225-E240 HydrophobicContact CB-CB 4.31Å; K225-E240 HydrophobicContact CD-CG 4.45Å; K225-E240 WeakPolarHBondContact CD-OE1 3.48Å; K225-E240 WeakPolarHBondContact CD-OE2 3.5Å; K225-E240 WeakPolarHBondContact CE-OE1 3.4Å; K225-E240 IonicContact NZ-OE1 3.73Å; K225-E240 PolarHBondContact NZ-OE1 3.11Å; K225-E240 IonicContact NZ-OE2 2.84Å; K225-E240 PolarHBondContact NZ-OE2 2.88Å
226	L	97.9	Very high	96.6	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.7	-177.7	-61.6	169.5	0	0	0	108.7	I218 N220 T224 I237 Y238 F632 L635	I218-L226 HydrophobicContact CD1-CB 4.31Å; I218-L226 HydrophobicContact CG1-CB 4.03Å; I218-L226 WeakPolarHBondContact CG1-O 3.48Å; I218-L226 PolarHBondContact N-O 3Å; I218-L226 PolarHBondContact O-N 2.74Å; I218-L226 VanDerWaalsContact O-O 3.06Å; N220-L226 HydrophobicContact CB-CD1 4.4Å; T224-L226 HydrophobicContact CG2-CD2 4.1Å; T224-L226 HydrophobicContact CG2-CG 4.2Å; L226-I237 HydrophobicContact CB-CG2 4.06Å; L226-I237 HydrophobicContact CD1-CG2 3.97Å; L226-I237 HydrophobicContact CG-CG2 4.43Å; L226-Y238 CarbonylContact C-O 3.58Å; L226-Y238 VanDerWaalsContact CA-O 3.32Å; L226-Y238 WeakPolarHBondContact CA-O 3.44Å; L226-Y238 WeakPolarHBondContact CB-O 3.45Å; L226-Y238 WeakPolarHBondContact CD2-O 3.41Å; L226-F632 HydrophobicContact CD1-CD2 4.04Å; L226-F632 HydrophobicContact CD1-CE2 3.56Å; L226-F632 HydrophobicContact CD1-CZ 4.35Å; L226-L635 HydrophobicContact CD1-CB 4.28Å; L226-L635 HydrophobicContact CD1-CD1 3.82Å; L226-L635 HydrophobicContact CD2-CD1 3.95Å
227	W	98.1	Very high	96.7	Very high	61 Å²	61	37.2 Å²	37.2	23%	0.231	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.8	164.9	-58.4	85.3	0	0	0	110.7	Y215 F216 P217 I237 Y238 E240 K243	Y215-W227 HydrophobicContact CD1-CB 4.26Å; F216-W227 CarbonylContact O-C 3.47Å; F216-W227 VanDerWaalsContact O-CA 3.3Å; F216-W227 WeakPolarHBondContact O-CA 3.36Å; P217-W227 HydrophobicContact CB-CE3 4.36Å; P217-W227 HydrophobicContact CB-CZ3 4.21Å; P217-W227 HydrophobicContact CG-CZ3 4.43Å; W227-I237 WeakPolarHBondContact O-CA 3.48Å; W227-Y238 PolarHBondContact N-O 3.4Å; W227-Y238 PolarHBondContact O-N 3.36Å; W227-E240 PolarHBondContact NE1-O 2.88Å; W227-E240 VanDerWaalsContact NE1-O 3.11Å; W227-K243 VanDerWaalsContact CZ2-CE 3.47Å
228	L	98.2	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.1	164	175.3	71.5	0	0	0	108.3	Y215 F216 I218 V230 L235 I237 F279 I290	Y215-L228 CarbonylContact C-O 3.51Å; Y215-L228 WeakPolarHBondContact CA-O 3.43Å; F216-L228 HydrophobicContact CB-CB 4.38Å; F216-L228 PolarHBondContact N-O 3.02Å; F216-L228 PolarHBondContact O-N 3.29Å; I218-L228 HydrophobicContact CD1-CB 4.01Å; I218-L228 HydrophobicContact CG1-CB 4.17Å; I218-L228 HydrophobicContact CG2-CB 3.86Å; L228-V230 HydrophobicContact CD2-CG2 4.14Å; L228-V230 HydrophobicContact CG-CG2 4.24Å; L228-L235 HydrophobicContact CD1-CB 4.16Å; L228-L235 HydrophobicContact CD1-CD1 4.5Å; L228-L235 HydrophobicContact CD1-CD2 4.21Å; L228-I237 HydrophobicContact CD1-CD1 3.6Å; L228-F279 HydrophobicContact CD2-CE1 4.08Å; L228-F279 HydrophobicContact CD2-CE2 3.98Å; L228-F279 HydrophobicContact CD2-CZ 3.52Å; L228-I290 HydrophobicContact CD2-CG2 3.98Å
229	G	98.3	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.8	167.3	0	0	0	0	0	110.8	N214 N236	N214-G229 WeakPolarHBondContact O-CA 3.43Å; G229-N236 PolarHBondContact N-O 2.94Å; G229-N236 PolarHBondContact O-N 3.49Å
230	V	98.1	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124	172	-171.6	0	0	0	0	108.8	N214 F216 L228 L235 W252 L293	N214-V230 HydrophobicContact CB-CB 4.31Å; N214-V230 PolarHBondContact N-O 3.01Å; N214-V230 PolarHBondContact O-N 3.4Å; F216-V230 HydrophobicContact CD2-CG2 4.01Å; F216-V230 HydrophobicContact CE2-CG2 3.93Å; L228-V230 HydrophobicContact CD2-CG2 4.14Å; L228-V230 HydrophobicContact CG-CG2 4.24Å; V230-L235 HydrophobicContact CB-CD2 4.1Å; V230-L235 HydrophobicContact CG1-CD2 3.92Å; V230-L235 HydrophobicContact CG2-CD2 3.82Å; V230-W252 HydrophobicContact CG1-CH2 4.26Å; V230-W252 HydrophobicContact CG1-CZ2 4.01Å; V230-L293 HydrophobicContact CG1-CB 4Å
231	T	97.4	Very high	96.6	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.08	23%	0.226	C	C	.	.			trans	-132.1	170.6	-172	75.5	0	0	0	0	112.4	V213 V233 G234 W252 N297	V213-T231 HydrophobicContact CB-CG2 4.31Å; V213-T231 HydrophobicContact CG1-CG2 4.08Å; V213-T231 HydrophobicContact CG2-CG2 3.92Å; T231-V233 PolarHBondContact O-N 3.34Å; T231-V233 PolarHBondContact OG1-N 2.99Å; T231-G234 PolarHBondContact N-O 3.49Å; T231-G234 PolarHBondContact OG1-N 3.26Å; T231-G234 PolarHBondContact OG1-O 3.38Å; T231-W252 PolarHBondContact O-NE1 3.04Å; T231-N297 WeakPolarHBondContact O-CB 3.44Å; T231-N297 PolarHBondContact O-OD1 2.7Å
232	S	95.8	Very high	96.7	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.084	21%	0.209	C	C	.	.	S	Bend	trans	-64.9	-23.3	174.3	53.3	0	0	0	0	114	F95 P96 N297 R304	F95-S232 WeakPolarHBondContact O-CB 3.27Å; P96-S232 PolarHBondContact O-OG 3.26Å; S232-N297 WeakPolarHBondContact CA-OD1 3.23Å; S232-R304 PolarHBondContact O-NH1 2.58Å
233	V	93.2	Very high	96.8	Very high	40 Å²	40	42.7 Å²	42.7	24%	0.242	20%	0.195	C	C	.	.	S	Bend	trans	-97.7	-30.3	-177.6	-179.7	0	0	0	0	113.1	E97 T231 W252	E97-V233 HydrophobicContact CG-CG2 3.89Å; T231-V233 PolarHBondContact O-N 3.34Å; T231-V233 PolarHBondContact OG1-N 2.99Å; V233-W252 VanDerWaalsContact O-CD1 3.29Å; V233-W252 PolarHBondContact O-N 3.49Å
234	G	95.1	Very high	96.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-158	-176.8	0	0	0	0	0	114.4	T231 F250	T231-G234 PolarHBondContact N-O 3.49Å; T231-G234 PolarHBondContact OG1-N 3.26Å; T231-G234 PolarHBondContact OG1-O 3.38Å; G234-F250 CarbonylContact C-O 3.59Å; G234-F250 WeakPolarHBondContact CA-O 3.5Å
235	L	97.3	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.1	176.2	-63.3	-178.4	0	0	0	110.7	L228 V230 T249 F250 W252 I255 I267	L228-L235 HydrophobicContact CD1-CB 4.16Å; L228-L235 HydrophobicContact CD1-CD1 4.5Å; L228-L235 HydrophobicContact CD1-CD2 4.21Å; V230-L235 HydrophobicContact CB-CD2 4.1Å; V230-L235 HydrophobicContact CG1-CD2 3.92Å; V230-L235 HydrophobicContact CG2-CD2 3.82Å; L235-T249 CarbonylContact O-C 3.57Å; L235-T249 VanDerWaalsContact O-CA 3.3Å; L235-T249 WeakPolarHBondContact O-CA 3.32Å; L235-T249 PolarHBondContact O-OG1 3.38Å; L235-F250 PolarHBondContact N-O 2.79Å; L235-F250 PolarHBondContact O-N 2.91Å; L235-W252 HydrophobicContact CD1-CH2 4.3Å; L235-W252 HydrophobicContact CD1-CZ3 4.34Å; L235-W252 HydrophobicContact CD2-CH2 3.49Å; L235-W252 VanDerWaalsContact CD2-CH2 3.49Å; L235-W252 HydrophobicContact CD2-CZ2 3.95Å; L235-W252 HydrophobicContact CD2-CZ3 4.31Å; L235-W252 HydrophobicContact CG-CH2 3.72Å; L235-W252 HydrophobicContact CG-CZ2 4.31Å; L235-W252 HydrophobicContact CG-CZ3 4.07Å; L235-I255 HydrophobicContact CD1-CD1 3.8Å; L235-I255 HydrophobicContact CG-CD1 4.05Å; L235-I267 HydrophobicContact CD1-CD1 3.42Å; L235-I267 VanDerWaalsContact CD1-CD1 3.42Å
236	N	97.7	Very high	96.8	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.048	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.3	177.1	-72.4	-12.3	0	0	0	110.5	G229 Y238 P246 T249	G229-N236 PolarHBondContact N-O 2.94Å; G229-N236 PolarHBondContact O-N 3.49Å; N236-Y238 HydrophobicContact CB-CD2 4.24Å; N236-Y238 HydrophobicContact CB-CE2 3.36Å; N236-Y238 PolarHBondContact ND2-OH 3.08Å; N236-P246 HydrophobicContact CB-CB 4.07Å; N236-T249 WeakPolarHBondContact OD1-CB 3.36Å; N236-T249 PolarHBondContact OD1-OG1 3.2Å
237	I	98	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.1	173.3	-47.9	-62.9	0	0	0	110.1	I218 L226 W227 L228 P246 K247 T248 F277 F632	I218-I237 HydrophobicContact CD1-CD1 4.11Å; L226-I237 HydrophobicContact CB-CG2 4.06Å; L226-I237 HydrophobicContact CD1-CG2 3.97Å; L226-I237 HydrophobicContact CG-CG2 4.43Å; W227-I237 WeakPolarHBondContact O-CA 3.48Å; L228-I237 HydrophobicContact CD1-CD1 3.6Å; I237-P246 CarbonylContact O-C 3.51Å; I237-P246 WeakPolarHBondContact O-CA 3.44Å; I237-K247 PolarHBondContact O-N 3.26Å; I237-T248 HydrophobicContact CB-CG2 3.8Å; I237-T248 HydrophobicContact CG1-CG2 3.82Å; I237-T248 PolarHBondContact N-O 3.18Å; I237-T248 PolarHBondContact O-N 3.12Å; I237-F277 HydrophobicContact CD1-CE1 4.4Å; I237-F277 HydrophobicContact CD1-CE2 4.45Å; I237-F277 HydrophobicContact CD1-CZ 3.63Å; I237-F277 HydrophobicContact CG1-CZ 4.22Å; I237-F632 HydrophobicContact CB-CD2 4.46Å; I237-F632 HydrophobicContact CD1-CE2 4.35Å; I237-F632 HydrophobicContact CG1-CD2 4.06Å; I237-F632 HydrophobicContact CG1-CE2 4.35Å; I237-F632 HydrophobicContact CG2-CD2 3.92Å; I237-F632 HydrophobicContact CG2-CE2 3.96Å
238	Y	98	Very high	96.5	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.7	-174.6	-58.1	-100.6	0	0	0	110.9	V213 Y215 L226 W227 N236 D242 K243 P246	V213-Y238 HydrophobicContact CG1-CE2 4.34Å; Y215-Y238 HydrophobicContact CD1-CD2 4.41Å; Y215-Y238 HydrophobicContact CD1-CE2 4.44Å; Y215-Y238 HydrophobicContact CE1-CD1 4.39Å; Y215-Y238 HydrophobicContact CE1-CD2 4.04Å; Y215-Y238 HydrophobicContact CE1-CE1 4.19Å; Y215-Y238 AromaticContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CG 4.32Å; Y215-Y238 AromaticContact CE1-CZ 3.93Å; L226-Y238 CarbonylContact C-O 3.58Å; L226-Y238 VanDerWaalsContact CA-O 3.32Å; L226-Y238 WeakPolarHBondContact CA-O 3.44Å; L226-Y238 WeakPolarHBondContact CB-O 3.45Å; L226-Y238 WeakPolarHBondContact CD2-O 3.41Å; W227-Y238 PolarHBondContact N-O 3.4Å; W227-Y238 PolarHBondContact O-N 3.36Å; N236-Y238 HydrophobicContact CB-CD2 4.24Å; N236-Y238 HydrophobicContact CB-CE2 3.36Å; N236-Y238 PolarHBondContact ND2-OH 3.08Å; Y238-D242 WeakPolarHBondContact CB-O 3.38Å; Y238-K243 WeakPolarHBondContact CD1-O 3.31Å; Y238-K243 WeakPolarHBondContact CE1-O 3.24Å; Y238-P246 HydrophobicContact CD1-CB 4.13Å; Y238-P246 HydrophobicContact CE1-CB 3.81Å; Y238-P246 HydrophobicContact CE1-CG 4.17Å; Y238-P246 HydrophobicContact CE2-CB 4.48Å
239	D	96.6	Very high	96.4	Very high	68 Å²	68	28.4 Å²	28.4	36%	0.364	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	152.3	171.6	-173.4	-54.3	0	0	0	110.4	R241 D242	D239-R241 PolarHBondContact O-N 3.32Å; D239-R241 PolarHBondContact OD1-N 2.98Å; D239-D242 HydrophobicContact CB-CB 4.23Å; D239-D242 PolarHBondContact O-N 3.43Å
240	E	95.9	Very high	96.2	Very high	88 Å²	88	28.4 Å²	28.4	41%	0.411	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-33.4	173.5	-177.7	174.2	-148.3	0	0	112.2	K225 W227	K225-E240 HydrophobicContact CB-CB 4.31Å; K225-E240 HydrophobicContact CD-CG 4.45Å; K225-E240 WeakPolarHBondContact CD-OE1 3.48Å; K225-E240 WeakPolarHBondContact CD-OE2 3.5Å; K225-E240 WeakPolarHBondContact CE-OE1 3.4Å; K225-E240 IonicContact NZ-OE1 3.73Å; K225-E240 PolarHBondContact NZ-OE1 3.11Å; K225-E240 IonicContact NZ-OE2 2.84Å; K225-E240 PolarHBondContact NZ-OE2 2.88Å; W227-E240 PolarHBondContact NE1-O 2.88Å; W227-E240 VanDerWaalsContact NE1-O 3.11Å
241	R	95.7	Very high	96	Very high	190 Å²	190	29.7 Å²	29.7	72%	0.717	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-4.8	-172.9	-57	-174.8	-177.6	-164	0.7	116.3	D239 N598	D239-R241 PolarHBondContact O-N 3.32Å; D239-R241 PolarHBondContact OD1-N 2.98Å; R241-N598 PolarHBondContact O-ND2 3.11Å
242	D	96.4	Very high	95.8	Very high	11 Å²	11	29 Å²	29	6%	0.059	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-136.5	92.3	-174.2	173.1	14.6	0	0	0	110.9	Y238 D239 L244 T245 K247 L602	Y238-D242 WeakPolarHBondContact CB-O 3.38Å; D239-D242 HydrophobicContact CB-CB 4.23Å; D239-D242 PolarHBondContact O-N 3.43Å; D242-L244 PolarHBondContact OD1-N 3.01Å; D242-L244 VanDerWaalsContact OD1-N 3.13Å; D242-T245 PolarHBondContact OD1-N 3.09Å; D242-T245 PolarHBondContact OD1-OG1 3.08Å; D242-T245 WeakPolarHBondContact OD2-CB 3.34Å; D242-T245 PolarHBondContact OD2-OG1 3.39Å; D242-K247 IonicContact OD2-NZ 2.73Å; D242-K247 PolarHBondContact OD2-NZ 3.14Å; D242-L602 HydrophobicContact CB-CD1 3.85Å; D242-L602 HydrophobicContact CB-CD2 4.25Å
243	K	96.5	Very high	95.6	Very high	53 Å²	53	30.2 Å²	30.2	23%	0.23	14%	0.141	C	C	.	.	S	Bend	trans	-83.3	-7.8	175.9	-74.4	-171.1	175.4	-175.4	0	114.1	M210 Y215 W227 Y238	M210-K243 HydrophobicContact CE-CB 4.38Å; M210-K243 HydrophobicContact CE-CD 4.25Å; Y215-K243 HydrophobicContact CD1-CB 4.39Å; Y215-K243 HydrophobicContact CD1-CD 3.91Å; Y215-K243 HydrophobicContact CD1-CG 4Å; Y215-K243 HydrophobicContact CE1-CB 3.74Å; Y215-K243 HydrophobicContact CE1-CD 4.07Å; Y215-K243 HydrophobicContact CE1-CG 3.85Å; Y215-K243 HydrophobicContact CG-CD 4.15Å; Y215-K243 PolarHBondContact OH-O 3.46Å; W227-K243 VanDerWaalsContact CZ2-CE 3.47Å; Y238-K243 WeakPolarHBondContact CD1-O 3.31Å; Y238-K243 WeakPolarHBondContact CE1-O 3.24Å
244	L	95.8	Very high	95.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-85.9	-47.8	-179.6	-56.1	-173.9	0	0	0	110.5	Y126 D209 M210 D242 P246 L599 L602	Y126-L244 HydrophobicContact CD1-CD1 4.11Å; Y126-L244 HydrophobicContact CD1-CD2 3.98Å; Y126-L244 HydrophobicContact CE1-CD1 4.32Å; Y126-L244 HydrophobicContact CG-CD2 4.29Å; D209-L244 HydrophobicContact CB-CB 4.43Å; D209-L244 HydrophobicContact CB-CD2 4.44Å; M210-L244 HydrophobicContact CG-CD2 3.67Å; M210-L244 HydrophobicContact SD-CD2 3.89Å; D242-L244 PolarHBondContact OD1-N 3.01Å; D242-L244 VanDerWaalsContact OD1-N 3.13Å; L244-P246 WeakPolarHBondContact O-CD 3.45Å; L244-L599 HydrophobicContact CD1-CB 4.44Å; L244-L599 HydrophobicContact CD1-CD2 4.47Å; L244-L599 WeakPolarHBondContact CD1-O 3.48Å; L244-L599 HydrophobicContact CD2-CD2 4.23Å; L244-L599 HydrophobicContact CG-CD2 4.04Å; L244-L602 HydrophobicContact CD1-CB 3.99Å
245	T	96.1	Very high	95.3	Very high	24 Å²	24	29.2 Å²	29.2	15%	0.147	13%	0.134	C	C	.	.	S	Bend	trans	-100.9	104.3	-173.2	-31.7	0	0	0	0	111.2	D242 Q606 T616	D242-T245 PolarHBondContact OD1-N 3.09Å; D242-T245 PolarHBondContact OD1-OG1 3.08Å; D242-T245 WeakPolarHBondContact OD2-CB 3.34Å; D242-T245 PolarHBondContact OD2-OG1 3.39Å; T245-Q606 PolarHBondContact OG1-NE2 2.75Å; T245-T616 HydrophobicContact CG2-CG2 3.9Å
246	P	96.6	Very high	94.9	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.071	15%	0.154	C	C	.	.			trans	-62	142.3	171.5	24	-29.9	0	0	0	110.5	N236 I237 Y238 L244 T616 L617 L620	N236-P246 HydrophobicContact CB-CB 4.07Å; I237-P246 CarbonylContact O-C 3.51Å; I237-P246 WeakPolarHBondContact O-CA 3.44Å; Y238-P246 HydrophobicContact CD1-CB 4.13Å; Y238-P246 HydrophobicContact CE1-CB 3.81Å; Y238-P246 HydrophobicContact CE1-CG 4.17Å; Y238-P246 HydrophobicContact CE2-CB 4.48Å; L244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-T616 HydrophobicContact CG-CG2 4.2Å; P246-L617 HydrophobicContact CG-CD2 4.3Å; P246-L620 HydrophobicContact CB-CD1 3.84Å; P246-L620 HydrophobicContact CG-CD1 3.72Å; P246-L620 WeakPolarHBondContact O-CD1 3.12Å
247	K	95.3	Very high	94.5	Very high	66 Å²	66	34.6 Å²	34.6	29%	0.287	15%	0.154	S	C	.	.	S	Bend	trans	-90.2	-27.1	175.9	-50.4	-50.6	-172.5	-160.5	0	111.9	I237 D242 L620 F631	I237-K247 PolarHBondContact O-N 3.26Å; D242-K247 IonicContact OD2-NZ 2.73Å; D242-K247 PolarHBondContact OD2-NZ 3.14Å; K247-L620 VanDerWaalsContact O-CD2 3.31Å; K247-L620 WeakPolarHBondContact O-CD2 3.43Å; K247-F631 HydrophobicContact CB-CE1 4Å; K247-F631 HydrophobicContact CB-CZ 4.4Å; K247-F631 VanDerWaalsContact O-CE1 3.27Å; K247-F631 WeakPolarHBondContact O-CE1 3.09Å
248	T	95.5	Very high	94.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.9	171	-173.4	0	0	0	0	110.8	I237 F250 R628 F631 F632	I237-T248 HydrophobicContact CB-CG2 3.8Å; I237-T248 HydrophobicContact CG1-CG2 3.82Å; I237-T248 PolarHBondContact N-O 3.18Å; I237-T248 PolarHBondContact O-N 3.12Å; T248-F250 HydrophobicContact CG2-CE2 4.38Å; T248-R628 WeakPolarHBondContact OG1-CB 3.27Å; T248-R628 WeakPolarHBondContact OG1-CG 3.33Å; T248-F631 HydrophobicContact CG2-CD1 4.35Å; T248-F632 HydrophobicContact CG2-CB 4.41Å
249	T	95.7	Very high	94	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.4	-177.6	-170.3	0	0	0	0	111	L235 N236 L620 K621 R628	L235-T249 CarbonylContact O-C 3.57Å; L235-T249 VanDerWaalsContact O-CA 3.3Å; L235-T249 WeakPolarHBondContact O-CA 3.32Å; L235-T249 PolarHBondContact O-OG1 3.38Å; N236-T249 WeakPolarHBondContact OD1-CB 3.36Å; N236-T249 PolarHBondContact OD1-OG1 3.2Å; T249-L620 HydrophobicContact CG2-CB 3.74Å; T249-K621 HydrophobicContact CG2-CG 4.24Å; T249-R628 WeakPolarHBondContact O-CD 3.2Å; T249-R628 PolarHBondContact O-NH1 2.8Å
250	F	94.4	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116.4	171.9	-58.2	-77.2	0	0	0	108.5	G234 L235 T248 E254 I255 F277 T625 R628 V629	G234-F250 CarbonylContact C-O 3.59Å; G234-F250 WeakPolarHBondContact CA-O 3.5Å; L235-F250 PolarHBondContact N-O 2.79Å; L235-F250 PolarHBondContact O-N 2.91Å; T248-F250 HydrophobicContact CG2-CE2 4.38Å; F250-E254 WeakPolarHBondContact CA-OE2 3.34Å; F250-I255 HydrophobicContact CB-CD1 4.36Å; F250-F277 AromaticContact CD2-CD1 3.97Å; F250-F277 HydrophobicContact CD2-CD1 3.97Å; F250-F277 AromaticContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CZ 4.43Å; F250-F277 AromaticContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD2 4.1Å; F250-F277 AromaticContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE2 4.1Å; F250-F277 HydrophobicContact CE2-CG 4.06Å; F250-F277 HydrophobicContact CE2-CZ 4.05Å; F250-F277 HydrophobicContact CZ-CD2 4.39Å; F250-F277 HydrophobicContact CZ-CG 4.35Å; F250-T625 HydrophobicContact CD1-CG2 3.95Å; F250-T625 HydrophobicContact CE1-CG2 4.2Å; F250-R628 HydrophobicContact CE1-CB 3.76Å; F250-R628 HydrophobicContact CZ-CB 4.14Å; F250-V629 HydrophobicContact CE1-CG2 3.69Å; F250-V629 HydrophobicContact CZ-CG2 3.94Å
251	Q	93.2	Very high	93.8	Very high	27 Å²	27	35.2 Å²	35.2	13%	0.126	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	154.4	-178.4	-66.1	-175.8	-114.1	0	0	111.1	N253 E254 K621	Q251-N253 WeakPolarHBondContact CB-OD1 3.24Å; Q251-N253 PolarHBondContact O-N 2.7Å; Q251-E254 HydrophobicContact CB-CG 4.33Å; Q251-E254 PolarHBondContact N-OE2 2.85Å; Q251-E254 WeakPolarHBondContact O-CB 3.48Å; Q251-E254 PolarHBondContact O-N 3.4Å; Q251-K621 VanDerWaalsContact CD-CE 3.47Å; Q251-K621 VanDerWaalsContact OE1-CD 3.22Å
252	W	93.9	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-60.2	-27.7	-179.3	-71.3	125.1	0	0	0	113.8	V230 T231 V233 L235 E254 I255 C294 N297 H298 Y301	V230-W252 HydrophobicContact CG1-CH2 4.26Å; V230-W252 HydrophobicContact CG1-CZ2 4.01Å; T231-W252 PolarHBondContact O-NE1 3.04Å; V233-W252 VanDerWaalsContact O-CD1 3.29Å; V233-W252 PolarHBondContact O-N 3.49Å; L235-W252 HydrophobicContact CD1-CH2 4.3Å; L235-W252 HydrophobicContact CD1-CZ3 4.34Å; L235-W252 HydrophobicContact CD2-CH2 3.49Å; L235-W252 VanDerWaalsContact CD2-CH2 3.49Å; L235-W252 HydrophobicContact CD2-CZ2 3.95Å; L235-W252 HydrophobicContact CD2-CZ3 4.31Å; L235-W252 HydrophobicContact CG-CH2 3.72Å; L235-W252 HydrophobicContact CG-CZ2 4.31Å; L235-W252 HydrophobicContact CG-CZ3 4.07Å; W252-E254 PolarHBondContact O-N 3.06Å; W252-I255 HydrophobicContact CE3-CB 4.46Å; W252-I255 HydrophobicContact CE3-CD1 3.67Å; W252-I255 HydrophobicContact CZ3-CD1 3.75Å; W252-I255 PolarHBondContact O-N 3.18Å; W252-C294 HydrophobicContact CH2-CB 3.8Å; W252-C294 HydrophobicContact CZ3-CB 4.2Å; W252-N297 HydrophobicContact CZ2-CB 3.74Å; W252-H298 HydrophobicContact CD2-CB 4.1Å; W252-H298 HydrophobicContact CE3-CB 3.92Å; W252-H298 HydrophobicContact CZ3-CB 4.41Å; W252-Y301 HydrophobicContact CB-CD1 3.48Å; W252-Y301 VanDerWaalsContact CB-CD1 3.48Å; W252-Y301 HydrophobicContact CB-CD2 3.75Å; W252-Y301 HydrophobicContact CB-CE1 3.69Å; W252-Y301 HydrophobicContact CB-CE2 3.91Å; W252-Y301 HydrophobicContact CB-CG 3.52Å; W252-Y301 AromaticContact CD1-CD2 3.56Å; W252-Y301 AromaticContact CD1-CG 3.73Å; W252-Y301 HydrophobicContact CG-CD1 4.39Å; W252-Y301 HydrophobicContact CG-CD2 4.06Å; W252-Y301 AromaticContact CG-CG 3.97Å; W252-Y301 HydrophobicContact CG-CG 3.97Å
253	N	90.2	Very high	93.6	Very high	36 Å²	36	34 Å²	34	19%	0.193	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-72.1	-10.9	172.7	69.8	-56.8	0	0	0	114.7	Q251 V270 Y301 F548 M555	Q251-N253 WeakPolarHBondContact CB-OD1 3.24Å; Q251-N253 PolarHBondContact O-N 2.7Å; N253-V270 WeakPolarHBondContact O-CG2 3.31Å; N253-Y301 HydrophobicContact CB-CE1 4.07Å; N253-Y301 WeakPolarHBondContact CB-OH 3.24Å; N253-Y301 PolarHBondContact OD1-OH 2.83Å; N253-Y301 VanDerWaalsContact OD1-OH 3.06Å; N253-F548 HydrophobicContact CB-CE1 4.06Å; N253-F548 HydrophobicContact CB-CZ 4.41Å; N253-M555 HydrophobicContact CB-CG 4.22Å; N253-M555 HydrophobicContact CB-SD 3.52Å; N253-M555 VanDerWaalsContact CB-SD 3.52Å
254	E	91.4	Very high	93.6	Very high	21 Å²	21	35.3 Å²	35.3	10%	0.098	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-91.5	-10.3	174.4	-56.3	-176.3	101.6	0	0	112.5	F250 Q251 W252 L269 V270 T625 R628	F250-E254 WeakPolarHBondContact CA-OE2 3.34Å; Q251-E254 HydrophobicContact CB-CG 4.33Å; Q251-E254 PolarHBondContact N-OE2 2.85Å; Q251-E254 WeakPolarHBondContact O-CB 3.48Å; Q251-E254 PolarHBondContact O-N 3.4Å; W252-E254 PolarHBondContact O-N 3.06Å; E254-L269 CarbonylContact O-C 3.5Å; E254-L269 VanDerWaalsContact O-CA 3.25Å; E254-L269 WeakPolarHBondContact O-CA 3.37Å; E254-L269 VanDerWaalsContact O-CD2 3.28Å; E254-L269 WeakPolarHBondContact O-CD2 3.44Å; E254-V270 PolarHBondContact O-N 3.19Å; E254-T625 HydrophobicContact CB-CG2 4.29Å; E254-T625 WeakPolarHBondContact OE1-CB 3.35Å; E254-T625 VanDerWaalsContact OE1-CG2 3.23Å; E254-T625 WeakPolarHBondContact OE1-CG2 3.33Å; E254-T625 PolarHBondContact OE1-OG1 3.13Å; E254-R628 VanDerWaalsContact CD-NH1 3.34Å; E254-R628 IonicContact OE1-CZ 3.19Å; E254-R628 IonicContact OE1-NH1 2.92Å; E254-R628 PolarHBondContact OE1-NH1 3.19Å; E254-R628 VanDerWaalsContact OE1-NH1 3.13Å; E254-R628 IonicContact OE1-NH2 2.69Å; E254-R628 PolarHBondContact OE1-NH2 3.37Å; E254-R628 IonicContact OE2-CZ 2.67Å; E254-R628 IonicContact OE2-NH1 3.86Å; E254-R628 PolarHBondContact OE2-NH1 3.1Å; E254-R628 IonicContact OE2-NH2 3.79Å
255	I	91.6	Very high	93.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.9	-169.5	-66.9	169	0	0	0	110.1	L235 F250 W252 V258 I267 L269	L235-I255 HydrophobicContact CD1-CD1 3.8Å; L235-I255 HydrophobicContact CG-CD1 4.05Å; F250-I255 HydrophobicContact CB-CD1 4.36Å; W252-I255 HydrophobicContact CE3-CB 4.46Å; W252-I255 HydrophobicContact CE3-CD1 3.67Å; W252-I255 HydrophobicContact CZ3-CD1 3.75Å; W252-I255 PolarHBondContact O-N 3.18Å; I255-V258 HydrophobicContact CG2-CG2 3.71Å; I255-I267 HydrophobicContact CG1-CG2 4.05Å; I255-I267 HydrophobicContact CG2-CG2 4.08Å; I255-L269 HydrophobicContact CG1-CD2 4.44Å
256	R	88.9	Confident	93.6	Very high	113 Å²	113	35.3 Å²	35.3	43%	0.426	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-29.3	179.1	179.7	-178.6	-67.8	-79.6	1	113.3	R268 L269 V270 P545	R256-R268 WeakPolarHBondContact CA-O 3.46Å; R256-R268 WeakPolarHBondContact CB-O 3.28Å; R256-R268 PolarHBondContact N-O 2.95Å; R256-L269 VanDerWaalsContact CB-O 3.32Å; R256-L269 WeakPolarHBondContact CB-O 3.18Å; R256-L269 PolarHBondContact NE-O 2.88Å; R256-V270 HydrophobicContact CB-CG2 4.12Å; R256-V270 PolarHBondContact NE-O 3.29Å; R256-V270 PolarHBondContact NH2-O 3.17Å; R256-P545 VanDerWaalsContact O-CD 3.23Å; R256-P545 WeakPolarHBondContact O-CD 3.3Å; R256-P545 WeakPolarHBondContact O-CG 3.27Å
257	H	88.3	Confident	93.5	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	146.3	-177.9	-167.5	-97.4	0	0	0	111.6	S259 I267 R268 D542 F543 E544	H257-S259 PolarHBondContact CE1-OG 3.03Å; H257-I267 WeakPolarHBondContact O-CA 3.4Å; H257-R268 HydrophobicContact CB-CB 3.84Å; H257-R268 HydrophobicContact CB-CG 3.98Å; H257-R268 VanDerWaalsContact CB-NE 3.32Å; H257-R268 PolarHBondContact CD2-NH2 2.92Å; H257-R268 VanDerWaalsContact CG-NE 3.34Å; H257-R268 PolarHBondContact N-O 2.93Å; H257-R268 VanDerWaalsContact N-O 3.13Å; H257-R268 PolarHBondContact ND1-NE 3.31Å; H257-R268 PolarHBondContact NE2-NH2 3.16Å; H257-R268 PolarHBondContact O-N 2.91Å; H257-D542 IonicContact CE1-OD1 2.94Å; H257-D542 PolarHBondContact CE1-OD1 3.49Å; H257-F543 PolarHBondContact CD2-O 2.96Å; H257-E544 IonicContact CD2-OE1 3.66Å
258	V	93.2	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.3	171.2	-172.6	0	0	0	0	108.7	I255 F265 I267 L291 C294 F543	I255-V258 HydrophobicContact CG2-CG2 3.71Å; V258-F265 HydrophobicContact CG1-CD1 4.31Å; V258-F265 HydrophobicContact CG1-CE1 4.48Å; V258-I267 HydrophobicContact CG1-CG1 4.15Å; V258-I267 HydrophobicContact CG2-CG1 4.27Å; V258-L291 HydrophobicContact CB-CD1 4.18Å; V258-L291 HydrophobicContact CG1-CD1 3.91Å; V258-L291 WeakPolarHBondContact O-CD1 3.38Å; V258-C294 HydrophobicContact CG1-CB 4.27Å; V258-C294 HydrophobicContact CG2-CB 4.36Å; V258-F543 HydrophobicContact CB-CD1 4.47Å; V258-F543 PolarHBondContact N-O 2.72Å; V258-F543 PolarHBondContact O-N 3.37Å
259	S	93.5	Very high	93.2	Very high	19 Å²	19	36.3 Å²	36.3	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	169.7	167.5	59.7	0	0	0	0	111.7	H257 F265 T266 D542	H257-S259 PolarHBondContact CE1-OG 3.03Å; S259-F265 WeakPolarHBondContact O-CA 3.43Å; S259-T266 PolarHBondContact N-O 3.3Å; S259-T266 PolarHBondContact O-N 2.92Å; S259-D542 WeakPolarHBondContact CB-OD1 3.45Å; S259-D542 PolarHBondContact OG-OD1 3.06Å; S259-D542 VanDerWaalsContact OG-OD1 3.11Å
260	F	94.7	Very high	92.9	Very high	24 Å²	24	38.1 Å²	38.1	11%	0.105	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.2	175.1	72.9	-88.8	0	0	0	112	D262 K264 F265 L284 N287 K288 L291 D541	F260-D262 WeakPolarHBondContact CD2-O 3.48Å; F260-K264 CarbonylContact C-O 3.57Å; F260-K264 WeakPolarHBondContact CA-O 3.46Å; F260-F265 HydrophobicContact CB-CD1 3.83Å; F260-F265 HydrophobicContact CB-CD2 3.9Å; F260-F265 HydrophobicContact CB-CE1 3.87Å; F260-F265 HydrophobicContact CB-CE2 3.95Å; F260-F265 HydrophobicContact CB-CG 3.85Å; F260-F265 HydrophobicContact CB-CZ 3.93Å; F260-F265 AromaticContact CD1-CE1 3.95Å; F260-F265 HydrophobicContact CD1-CE1 3.95Å; F260-F265 AromaticContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CG-CE1 4.26Å; F260-F265 HydrophobicContact CG-CE2 4.27Å; F260-F265 HydrophobicContact CG-CZ 4.04Å; F260-L284 HydrophobicContact CE2-CD1 3.62Å; F260-L284 HydrophobicContact CZ-CD1 4.03Å; F260-N287 HydrophobicContact CD1-CB 4.29Å; F260-N287 HydrophobicContact CD2-CB 3.93Å; F260-N287 HydrophobicContact CE1-CB 4.19Å; F260-N287 HydrophobicContact CE2-CB 3.83Å; F260-N287 HydrophobicContact CG-CB 4.18Å; F260-N287 HydrophobicContact CZ-CB 3.98Å; F260-K288 HydrophobicContact CE1-CG 4.4Å; F260-K288 HydrophobicContact CZ-CG 3.92Å; F260-L291 HydrophobicContact CD1-CB 4.39Å; F260-L291 HydrophobicContact CD1-CD2 4.26Å; F260-L291 HydrophobicContact CE1-CB 4.27Å; F260-L291 HydrophobicContact CE1-CD2 3.97Å; F260-D541 HydrophobicContact CD1-CB 4.47Å; F260-D541 HydrophobicContact CE1-CB 3.73Å; F260-D541 HydrophobicContact CZ-CB 3.9Å; F260-D541 WeakPolarHBondContact CZ-OD2 3.47Å
261	D	93.2	Very high	92.6	Very high	129 Å²	129	41.8 Å²	41.8	69%	0.69	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.4	172.4	178.6	25.8	0	0	0	108.6	K263 K264	D261-K263 PolarHBondContact O-N 3.09Å; D261-K264 PolarHBondContact N-O 3.32Å; D261-K264 PolarHBondContact O-N 3.38Å
262	D	92.3	Very high	92.3	Very high	101 Å²	101	45 Å²	45	54%	0.54	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	-89.2	-164.2	177.9	46.7	0	0	0	112.9	F260 N287	F260-D262 WeakPolarHBondContact CD2-O 3.48Å; D262-N287 PolarHBondContact O-ND2 3.3Å
263	K	94.8	Very high	92.1	Very high	75 Å²	75	53.8 Å²	53.8	33%	0.326	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-13.1	-176.9	-70.6	171.6	179.1	-159.1	0	114.6	D261 Y280 S281 Q282	D261-K263 PolarHBondContact O-N 3.09Å; K263-Y280 CarbonylContact O-C 3.58Å; K263-Y280 WeakPolarHBondContact O-CA 3.43Å; K263-S281 VanDerWaalsContact CA-O 3.29Å; K263-S281 WeakPolarHBondContact CA-O 3.43Å; K263-S281 VanDerWaalsContact CB-O 3.28Å; K263-S281 WeakPolarHBondContact CB-O 3.46Å; K263-S281 WeakPolarHBondContact CG-O 3.28Å; K263-S281 PolarHBondContact O-N 2.85Å; K263-Q282 WeakPolarHBondContact CE-O 3.33Å
264	K	96.4	Very high	92.1	Very high	80 Å²	80	52.6 Å²	52.6	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.2	-170.8	179.4	-161.9	169.6	-159.5	0	110.4	F260 D261 I278 Y280	F260-K264 CarbonylContact C-O 3.57Å; F260-K264 WeakPolarHBondContact CA-O 3.46Å; D261-K264 PolarHBondContact N-O 3.32Å; D261-K264 PolarHBondContact O-N 3.38Å; K264-I278 HydrophobicContact CG-CG2 4.04Å; K264-Y280 HydrophobicContact CB-CD1 3.88Å; K264-Y280 HydrophobicContact CB-CE1 3.76Å; K264-Y280 HydrophobicContact CD-CE1 4.39Å; K264-Y280 HydrophobicContact CG-CD1 4.17Å; K264-Y280 HydrophobicContact CG-CE1 3.69Å
265	F	96.8	Very high	92.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.8	165.7	-83.8	-95.4	0	0	0	111.5	V258 S259 F260 I278 F279 N287 I290	V258-F265 HydrophobicContact CG1-CD1 4.31Å; V258-F265 HydrophobicContact CG1-CE1 4.48Å; S259-F265 WeakPolarHBondContact O-CA 3.43Å; F260-F265 HydrophobicContact CB-CD1 3.83Å; F260-F265 HydrophobicContact CB-CD2 3.9Å; F260-F265 HydrophobicContact CB-CE1 3.87Å; F260-F265 HydrophobicContact CB-CE2 3.95Å; F260-F265 HydrophobicContact CB-CG 3.85Å; F260-F265 HydrophobicContact CB-CZ 3.93Å; F260-F265 AromaticContact CD1-CE1 3.95Å; F260-F265 HydrophobicContact CD1-CE1 3.95Å; F260-F265 AromaticContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CG-CE1 4.26Å; F260-F265 HydrophobicContact CG-CE2 4.27Å; F260-F265 HydrophobicContact CG-CZ 4.04Å; F265-I278 WeakPolarHBondContact O-CA 3.4Å; F265-F279 HydrophobicContact CB-CD1 3.81Å; F265-F279 HydrophobicContact CB-CD2 3.98Å; F265-F279 HydrophobicContact CB-CE1 3.48Å; F265-F279 VanDerWaalsContact CB-CE1 3.48Å; F265-F279 HydrophobicContact CB-CE2 3.67Å; F265-F279 HydrophobicContact CB-CG 4.05Å; F265-F279 HydrophobicContact CB-CZ 3.4Å; F265-F279 HydrophobicContact CD1-CE1 4.21Å; F265-F279 HydrophobicContact CD1-CE2 4.25Å; F265-F279 AromaticContact CD1-CZ 3.63Å; F265-F279 HydrophobicContact CD1-CZ 3.63Å; F265-F279 AromaticContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CE1 4.46Å; F265-F279 AromaticContact CD2-CE2 3.23Å; F265-F279 HydrophobicContact CD2-CE2 3.23Å; F265-F279 AromaticContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CE1-CZ 4.26Å; F265-F279 AromaticContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CZ 4.15Å; F265-F279 HydrophobicContact CG-CD2 4.21Å; F265-F279 AromaticContact CG-CE1 3.81Å; F265-F279 HydrophobicContact CG-CE1 3.81Å; F265-F279 AromaticContact CG-CE2 3.44Å; F265-F279 HydrophobicContact CG-CE2 3.44Å; F265-F279 VanDerWaalsContact CG-CE2 3.44Å; F265-F279 AromaticContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CZ-CZ 4.49Å; F265-F279 PolarHBondContact N-O 3.35Å; F265-N287 HydrophobicContact CE2-CB 3.82Å; F265-N287 HydrophobicContact CZ-CB 3.99Å; F265-N287 WeakPolarHBondContact CZ-O 3.37Å; F265-I290 HydrophobicContact CD1-CG2 4.49Å; F265-I290 HydrophobicContact CE1-CB 4.24Å; F265-I290 HydrophobicContact CE1-CG2 3.68Å; F265-I290 HydrophobicContact CE2-CD1 4.05Å; F265-I290 HydrophobicContact CE2-CG2 4.42Å; F265-I290 HydrophobicContact CZ-CB 3.75Å; F265-I290 HydrophobicContact CZ-CD1 4.14Å; F265-I290 HydrophobicContact CZ-CG2 3.63Å
266	T	95.3	Very high	92.2	Very high	25 Å²	25	58.3 Å²	58.3	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	109.3	171.3	-56.1	0	0	0	0	108.9	S259 N276 I278	S259-T266 PolarHBondContact N-O 3.3Å; S259-T266 PolarHBondContact O-N 2.92Å; T266-N276 HydrophobicContact CG2-CB 3.84Å; T266-N276 WeakPolarHBondContact CG2-ND2 3.36Å; T266-I278 HydrophobicContact CG2-CG1 4.29Å
267	I	94.1	Very high	92.4	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.8	174.1	-69.9	169.4	0	0	0	107.9	L235 I255 H257 V258 L269 N276 F277 F279	L235-I267 HydrophobicContact CD1-CD1 3.42Å; L235-I267 VanDerWaalsContact CD1-CD1 3.42Å; I255-I267 HydrophobicContact CG1-CG2 4.05Å; I255-I267 HydrophobicContact CG2-CG2 4.08Å; H257-I267 WeakPolarHBondContact O-CA 3.4Å; V258-I267 HydrophobicContact CG1-CG1 4.15Å; V258-I267 HydrophobicContact CG2-CG1 4.27Å; I267-L269 HydrophobicContact CG2-CD2 4.33Å; I267-N276 CarbonylContact O-C 3.59Å; I267-N276 WeakPolarHBondContact O-CA 3.43Å; I267-N276 WeakPolarHBondContact O-CB 3.33Å; I267-F277 HydrophobicContact CB-CB 4.16Å; I267-F277 HydrophobicContact CB-CD1 3.92Å; I267-F277 HydrophobicContact CB-CG 4.45Å; I267-F277 HydrophobicContact CD1-CD1 3.52Å; I267-F277 HydrophobicContact CD1-CE1 3.62Å; I267-F277 HydrophobicContact CG1-CD1 4.26Å; I267-F277 HydrophobicContact CG2-CB 4.44Å; I267-F277 HydrophobicContact CG2-CD1 4.18Å; I267-F277 PolarHBondContact N-O 3.1Å; I267-F277 PolarHBondContact O-N 3.38Å; I267-F279 HydrophobicContact CD1-CD1 4.5Å; I267-F279 HydrophobicContact CD1-CE1 3.81Å
268	R	92.4	Very high	92.7	Very high	93 Å²	93	53.6 Å²	53.6	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.3	173.2	-51.2	-170.6	-90.4	156.5	-0.6	107.6	R256 H257 E544	R256-R268 WeakPolarHBondContact CA-O 3.46Å; R256-R268 WeakPolarHBondContact CB-O 3.28Å; R256-R268 PolarHBondContact N-O 2.95Å; H257-R268 HydrophobicContact CB-CB 3.84Å; H257-R268 HydrophobicContact CB-CG 3.98Å; H257-R268 VanDerWaalsContact CB-NE 3.32Å; H257-R268 PolarHBondContact CD2-NH2 2.92Å; H257-R268 VanDerWaalsContact CG-NE 3.34Å; H257-R268 PolarHBondContact N-O 2.93Å; H257-R268 VanDerWaalsContact N-O 3.13Å; H257-R268 PolarHBondContact ND1-NE 3.31Å; H257-R268 PolarHBondContact NE2-NH2 3.16Å; H257-R268 PolarHBondContact O-N 2.91Å; R268-E544 IonicContact CZ-OE1 3.7Å; R268-E544 IonicContact NH2-OE1 3.4Å; R268-E544 PolarHBondContact NH2-OE1 2.81Å
269	L	92.1	Very high	92.9	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	164.5	-179.5	-64.2	169.9	0	0	0	111.5	E254 I255 R256 I267 V274 T625 V629	E254-L269 CarbonylContact O-C 3.5Å; E254-L269 VanDerWaalsContact O-CA 3.25Å; E254-L269 WeakPolarHBondContact O-CA 3.37Å; E254-L269 VanDerWaalsContact O-CD2 3.28Å; E254-L269 WeakPolarHBondContact O-CD2 3.44Å; I255-L269 HydrophobicContact CG1-CD2 4.44Å; R256-L269 VanDerWaalsContact CB-O 3.32Å; R256-L269 WeakPolarHBondContact CB-O 3.18Å; R256-L269 PolarHBondContact NE-O 2.88Å; I267-L269 HydrophobicContact CG2-CD2 4.33Å; L269-V274 HydrophobicContact CD1-CB 3.96Å; L269-V274 HydrophobicContact CD1-CG1 3.55Å; L269-T625 HydrophobicContact CD1-CG2 3.77Å; L269-T625 HydrophobicContact CD2-CG2 4.1Å; L269-T625 HydrophobicContact CG-CG2 4.49Å; L269-V629 HydrophobicContact CD1-CG2 3.71Å
270	V	89.4	Confident	93.1	Very high	40 Å²	40	56.1 Å²	56.1	24%	0.242	29%	0.293	C	S	.	.	S	Bend	trans	-67.2	-44.3	178.7	172	0	0	0	0	111.4	N253 E254 R256 A272 F548	N253-V270 WeakPolarHBondContact O-CG2 3.31Å; E254-V270 PolarHBondContact O-N 3.19Å; R256-V270 HydrophobicContact CB-CG2 4.12Å; R256-V270 PolarHBondContact NE-O 3.29Å; R256-V270 PolarHBondContact NH2-O 3.17Å; V270-A272 PolarHBondContact O-N 2.85Å; V270-F548 HydrophobicContact CG2-CE2 4.4Å
271	D	88	Confident	93.1	Very high	78 Å²	78	55.2 Å²	55.2	42%	0.417	29%	0.29	S	S	.	.	S	Bend	trans	-76.3	106	168.9	-178.9	13.8	0	0	0	111.1	K273 V274	D271-K273 PolarHBondContact O-N 3.14Å; D271-K273 VanDerWaalsContact O-N 3.11Å; D271-K273 VanDerWaalsContact OD1-CB 3.29Å; D271-K273 WeakPolarHBondContact OD1-CB 3.43Å; D271-K273 WeakPolarHBondContact OD1-CG 3.27Å; D271-K273 PolarHBondContact OD1-N 3.12Å; D271-V274 HydrophobicContact CB-CG2 4.03Å; D271-V274 PolarHBondContact O-N 3.21Å
272	A	87.7	Confident	93	Very high	95 Å²	95	55.1 Å²	55.1	79%	0.785	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.2	177.9	0	0	0	0	0	114.5	V270 V274	V270-A272 PolarHBondContact O-N 2.85Å; A272-V274 VanDerWaalsContact C-N 3.33Å
273	K	90.1	Very high	92.8	Very high	183 Å²	183	53.2 Å²	53.2	80%	0.796	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.9	170.8	-57.6	164.9	-173	163.1	0	112.7	D271	D271-K273 PolarHBondContact O-N 3.14Å; D271-K273 VanDerWaalsContact O-N 3.11Å; D271-K273 VanDerWaalsContact OD1-CB 3.29Å; D271-K273 WeakPolarHBondContact OD1-CB 3.43Å; D271-K273 WeakPolarHBondContact OD1-CG 3.27Å; D271-K273 PolarHBondContact OD1-N 3.12Å
274	V	89.9	Confident	92.7	Very high	12 Å²	12	53.7 Å²	53.7	7%	0.073	28%	0.28	C	S	.	.	S	Bend	trans	-91.5	137	176.7	-169.8	0	0	0	0	109.6	L269 D271 A272 K626 V629	L269-V274 HydrophobicContact CD1-CB 3.96Å; L269-V274 HydrophobicContact CD1-CG1 3.55Å; D271-V274 HydrophobicContact CB-CG2 4.03Å; D271-V274 PolarHBondContact O-N 3.21Å; A272-V274 VanDerWaalsContact C-N 3.33Å; V274-K626 HydrophobicContact CG1-CB 4.12Å; V274-K626 HydrophobicContact CG1-CG 4.44Å; V274-K626 HydrophobicContact CG2-CB 4.04Å; V274-V629 HydrophobicContact CG1-CB 4.45Å; V274-V629 HydrophobicContact CG1-CG2 4.08Å
275	S	91.6	Very high	92.4	Very high	78 Å²	78	52.4 Å²	52.4	55%	0.545	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-61.9	137.3	172.6	49	0	0	0	0	111.1	F277	S275-F277 PolarHBondContact O-N 3.39Å
276	N	92.7	Very high	92.2	Very high	63 Å²	63	54.4 Å²	54.4	34%	0.337	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-50.4	134.1	174.3	-64.2	-18	0	0	0	111.3	T266 I267 I278	T266-N276 HydrophobicContact CG2-CB 3.84Å; T266-N276 WeakPolarHBondContact CG2-ND2 3.36Å; I267-N276 CarbonylContact O-C 3.59Å; I267-N276 WeakPolarHBondContact O-CA 3.43Å; I267-N276 WeakPolarHBondContact O-CB 3.33Å; N276-I278 HydrophobicContact CB-CD1 4.37Å; N276-I278 HydrophobicContact CB-CG1 4.27Å; N276-I278 PolarHBondContact O-N 3.38Å
277	F	93.2	Very high	92.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.2	171.2	167.1	-134.5	0	0	0	108.4	I237 F250 I267 S275 F279 V629 F632	I237-F277 HydrophobicContact CD1-CE1 4.4Å; I237-F277 HydrophobicContact CD1-CE2 4.45Å; I237-F277 HydrophobicContact CD1-CZ 3.63Å; I237-F277 HydrophobicContact CG1-CZ 4.22Å; F250-F277 AromaticContact CD2-CD1 3.97Å; F250-F277 HydrophobicContact CD2-CD1 3.97Å; F250-F277 AromaticContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CZ 4.43Å; F250-F277 AromaticContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD2 4.1Å; F250-F277 AromaticContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE2 4.1Å; F250-F277 HydrophobicContact CE2-CG 4.06Å; F250-F277 HydrophobicContact CE2-CZ 4.05Å; F250-F277 HydrophobicContact CZ-CD2 4.39Å; F250-F277 HydrophobicContact CZ-CG 4.35Å; I267-F277 HydrophobicContact CB-CB 4.16Å; I267-F277 HydrophobicContact CB-CD1 3.92Å; I267-F277 HydrophobicContact CB-CG 4.45Å; I267-F277 HydrophobicContact CD1-CD1 3.52Å; I267-F277 HydrophobicContact CD1-CE1 3.62Å; I267-F277 HydrophobicContact CG1-CD1 4.26Å; I267-F277 HydrophobicContact CG2-CB 4.44Å; I267-F277 HydrophobicContact CG2-CD1 4.18Å; I267-F277 PolarHBondContact N-O 3.1Å; I267-F277 PolarHBondContact O-N 3.38Å; S275-F277 PolarHBondContact O-N 3.39Å; F277-F279 HydrophobicContact CE1-CD1 4.06Å; F277-F279 HydrophobicContact CE1-CE1 4.35Å; F277-F279 HydrophobicContact CE2-CD1 4.38Å; F277-F279 AromaticContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CE1 4.47Å; F277-V629 HydrophobicContact CB-CG2 4.23Å; F277-F632 AromaticContact CD2-CD1 3.81Å; F277-F632 HydrophobicContact CD2-CD1 3.81Å; F277-F632 AromaticContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CG 4.19Å; F277-F632 AromaticContact CE2-CD1 3.56Å; F277-F632 HydrophobicContact CE2-CD1 3.56Å; F277-F632 AromaticContact CE2-CD2 3.81Å; F277-F632 HydrophobicContact CE2-CD2 3.81Å; F277-F632 AromaticContact CE2-CE1 3.53Å; F277-F632 HydrophobicContact CE2-CE1 3.53Å; F277-F632 AromaticContact CE2-CE2 3.76Å; F277-F632 HydrophobicContact CE2-CE2 3.76Å; F277-F632 AromaticContact CE2-CG 3.7Å; F277-F632 HydrophobicContact CE2-CG 3.7Å; F277-F632 AromaticContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CZ-CE2 4.33Å; F277-F632 HydrophobicContact CZ-CZ 4.4Å
278	I	96.3	Very high	92.2	Very high	22 Å²	22	56.8 Å²	56.8	11%	0.113	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.7	-170.4	-69.5	168.4	0	0	0	109.7	K264 F265 T266 N276 Y280 F632	K264-I278 HydrophobicContact CG-CG2 4.04Å; F265-I278 WeakPolarHBondContact O-CA 3.4Å; T266-I278 HydrophobicContact CG2-CG1 4.29Å; N276-I278 HydrophobicContact CB-CD1 4.37Å; N276-I278 HydrophobicContact CB-CG1 4.27Å; N276-I278 PolarHBondContact O-N 3.38Å; I278-Y280 HydrophobicContact CG2-CE2 4.14Å; I278-F632 WeakPolarHBondContact O-CE1 3.33Å
279	F	97.2	Very high	92.2	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	169.6	173	68.9	-94	0	0	0	110.6	I218 T219 L228 F265 I267 F277 I290 F632	I218-F279 HydrophobicContact CB-CD2 3.84Å; I218-F279 HydrophobicContact CB-CG 4.48Å; I218-F279 HydrophobicContact CD1-CB 3.91Å; I218-F279 HydrophobicContact CD1-CD2 4.2Å; I218-F279 HydrophobicContact CD1-CG 4.06Å; I218-F279 HydrophobicContact CG2-CD2 3.46Å; I218-F279 VanDerWaalsContact CG2-CD2 3.46Å; I218-F279 HydrophobicContact CG2-CE2 3.65Å; I218-F279 HydrophobicContact CG2-CG 4.4Å; T219-F279 CarbonylContact O-C 3.52Å; T219-F279 WeakPolarHBondContact O-CA 3.19Å; L228-F279 HydrophobicContact CD2-CE1 4.08Å; L228-F279 HydrophobicContact CD2-CE2 3.98Å; L228-F279 HydrophobicContact CD2-CZ 3.52Å; F265-F279 HydrophobicContact CB-CD1 3.81Å; F265-F279 HydrophobicContact CB-CD2 3.98Å; F265-F279 HydrophobicContact CB-CE1 3.48Å; F265-F279 VanDerWaalsContact CB-CE1 3.48Å; F265-F279 HydrophobicContact CB-CE2 3.67Å; F265-F279 HydrophobicContact CB-CG 4.05Å; F265-F279 HydrophobicContact CB-CZ 3.4Å; F265-F279 HydrophobicContact CD1-CE1 4.21Å; F265-F279 HydrophobicContact CD1-CE2 4.25Å; F265-F279 AromaticContact CD1-CZ 3.63Å; F265-F279 HydrophobicContact CD1-CZ 3.63Å; F265-F279 AromaticContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CE1 4.46Å; F265-F279 AromaticContact CD2-CE2 3.23Å; F265-F279 HydrophobicContact CD2-CE2 3.23Å; F265-F279 AromaticContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CE1-CZ 4.26Å; F265-F279 AromaticContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CZ 4.15Å; F265-F279 HydrophobicContact CG-CD2 4.21Å; F265-F279 AromaticContact CG-CE1 3.81Å; F265-F279 HydrophobicContact CG-CE1 3.81Å; F265-F279 AromaticContact CG-CE2 3.44Å; F265-F279 HydrophobicContact CG-CE2 3.44Å; F265-F279 VanDerWaalsContact CG-CE2 3.44Å; F265-F279 AromaticContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CZ-CZ 4.49Å; F265-F279 PolarHBondContact N-O 3.35Å; I267-F279 HydrophobicContact CD1-CD1 4.5Å; I267-F279 HydrophobicContact CD1-CE1 3.81Å; F277-F279 HydrophobicContact CE1-CD1 4.06Å; F277-F279 HydrophobicContact CE1-CE1 4.35Å; F277-F279 HydrophobicContact CE2-CD1 4.38Å; F277-F279 AromaticContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CE1 4.47Å; F279-I290 HydrophobicContact CZ-CG2 4.39Å; F279-F632 HydrophobicContact CB-CZ 3.94Å
280	Y	97.6	Very high	92.4	Very high	72 Å²	72	54 Å²	54	28%	0.282	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.7	-178	-55.7	-95.3	0	0	0	111	I218 T219 K221 K263 K264 I278	I218-Y280 CarbonylContact C-O 3.54Å; I218-Y280 VanDerWaalsContact CA-O 3.26Å; I218-Y280 WeakPolarHBondContact CA-O 3.31Å; T219-Y280 PolarHBondContact N-O 2.79Å; T219-Y280 PolarHBondContact O-N 2.62Å; K221-Y280 HydrophobicContact CG-CE2 4.13Å; K263-Y280 CarbonylContact O-C 3.58Å; K263-Y280 WeakPolarHBondContact O-CA 3.43Å; K264-Y280 HydrophobicContact CB-CD1 3.88Å; K264-Y280 HydrophobicContact CB-CE1 3.76Å; K264-Y280 HydrophobicContact CD-CE1 4.39Å; K264-Y280 HydrophobicContact CG-CD1 4.17Å; K264-Y280 HydrophobicContact CG-CE1 3.69Å; I278-Y280 HydrophobicContact CG2-CE2 4.14Å
281	S	94.8	Very high	92.7	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.035	28%	0.278	C	S	.	.			trans	-138.5	138.7	172.3	160.2	0	0	0	0	109.4	K263 I286 N287	K263-S281 VanDerWaalsContact CA-O 3.29Å; K263-S281 WeakPolarHBondContact CA-O 3.43Å; K263-S281 VanDerWaalsContact CB-O 3.28Å; K263-S281 WeakPolarHBondContact CB-O 3.46Å; K263-S281 WeakPolarHBondContact CG-O 3.28Å; K263-S281 PolarHBondContact O-N 2.85Å; S281-I286 WeakPolarHBondContact OG-CG2 3.18Å; S281-N287 WeakPolarHBondContact CB-OD1 3.4Å; S281-N287 PolarHBondContact O-ND2 3.41Å; S281-N287 PolarHBondContact OG-OD1 3.2Å
282	Q	89.8	Confident	92.9	Very high	126 Å²	126	51.2 Å²	51.2	59%	0.589	27%	0.269	S	S	*	.	S	Bend	trans	-84.7	-16.3	-161.6	-64.7	-63.7	-30.5	0	0	115.3	K263	K263-Q282 WeakPolarHBondContact CE-O 3.33Å
283	D	89.5	Confident	93.3	Very high	61 Å²	61	46.7 Å²	46.7	33%	0.326	23%	0.232	S	C	.	.			trans	-118.1	127.1	-173.1	168.7	33.2	0	0	0	112.1	H285 I286 N287	D283-H285 VanDerWaalsContact C-N 3.28Å; D283-H285 PolarHBondContact O-N 3.5Å; D283-H285 PolarHBondContact OD1-N 2.89Å; D283-H285 WeakPolarHBondContact OD2-CB 3.2Å; D283-I286 HydrophobicContact CB-CB 4.2Å; D283-I286 HydrophobicContact CB-CD1 4.22Å; D283-I286 HydrophobicContact CB-CG1 4.39Å; D283-I286 PolarHBondContact O-N 3.5Å; D283-I286 WeakPolarHBondContact OD2-CG1 3.46Å; D283-I286 PolarHBondContact OD2-N 3.31Å; D283-I286 VanDerWaalsContact OD2-N 3.14Å; D283-N287 WeakPolarHBondContact O-CB 3.34Å; D283-N287 PolarHBondContact O-N 3.37Å; D283-N287 PolarHBondContact O-ND2 3.06Å; D283-N287 PolarHBondContact O-OD1 3.07Å
284	L	91.7	Very high	93.6	Very high	86 Å²	86	38 Å²	38	45%	0.45	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-26.3	179.6	-177.6	59.7	0	0	0	113.4	F260 K288	F260-L284 HydrophobicContact CE2-CD1 3.62Å; F260-L284 HydrophobicContact CZ-CD1 4.03Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.1Å
285	H	90.7	Very high	93.8	Very high	53 Å²	53	42.6 Å²	42.6	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-70.3	-52.7	173.3	179	64.3	0	0	0	110.7	V63 S64 D283 N287 K288 M289	V63-H285 PolarHBondContact O-CE1 3.2Å; V63-H285 PolarHBondContact O-NE2 3.34Å; S64-H285 PolarHBondContact OG-CE1 3.46Å; S64-H285 VanDerWaalsContact OG-CE1 3.28Å; D283-H285 VanDerWaalsContact C-N 3.28Å; D283-H285 PolarHBondContact O-N 3.5Å; D283-H285 PolarHBondContact OD1-N 2.89Å; D283-H285 WeakPolarHBondContact OD2-CB 3.2Å; H285-N287 VanDerWaalsContact C-N 3.27Å; H285-N287 PolarHBondContact O-N 3.16Å; H285-K288 PolarHBondContact O-N 3.3Å; H285-M289 PolarHBondContact O-N 2.94Å
286	I	92.9	Very high	93.9	Very high	41 Å²	41	39.5 Å²	39.5	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-52.6	-44.6	171	-74.7	171.9	0	0	0	111.5	F216 S281 D283 K288 M289 I290	F216-I286 HydrophobicContact CD1-CG2 3.71Å; F216-I286 HydrophobicContact CE1-CG2 4.31Å; S281-I286 WeakPolarHBondContact OG-CG2 3.18Å; D283-I286 HydrophobicContact CB-CB 4.2Å; D283-I286 HydrophobicContact CB-CD1 4.22Å; D283-I286 HydrophobicContact CB-CG1 4.39Å; D283-I286 PolarHBondContact O-N 3.5Å; D283-I286 WeakPolarHBondContact OD2-CG1 3.46Å; D283-I286 PolarHBondContact OD2-N 3.31Å; D283-I286 VanDerWaalsContact OD2-N 3.14Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 2.84Å; I286-M289 PolarHBondContact O-N 2.88Å; I286-M289 VanDerWaalsContact O-N 3.09Å; I286-I290 HydrophobicContact CG2-CD1 3.66Å; I286-I290 HydrophobicContact CG2-CG1 4.19Å; I286-I290 WeakPolarHBondContact O-CG1 3.21Å; I286-I290 PolarHBondContact O-N 3.18Å
287	N	94.8	Very high	94.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-39.8	-177.8	-64	-6	0	0	0	112.2	F260 D262 F265 S281 D283 H285 L291	F260-N287 HydrophobicContact CD1-CB 4.29Å; F260-N287 HydrophobicContact CD2-CB 3.93Å; F260-N287 HydrophobicContact CE1-CB 4.19Å; F260-N287 HydrophobicContact CE2-CB 3.83Å; F260-N287 HydrophobicContact CG-CB 4.18Å; F260-N287 HydrophobicContact CZ-CB 3.98Å; D262-N287 PolarHBondContact O-ND2 3.3Å; F265-N287 HydrophobicContact CE2-CB 3.82Å; F265-N287 HydrophobicContact CZ-CB 3.99Å; F265-N287 WeakPolarHBondContact CZ-O 3.37Å; S281-N287 WeakPolarHBondContact CB-OD1 3.4Å; S281-N287 PolarHBondContact O-ND2 3.41Å; S281-N287 PolarHBondContact OG-OD1 3.2Å; D283-N287 WeakPolarHBondContact O-CB 3.34Å; D283-N287 PolarHBondContact O-N 3.37Å; D283-N287 PolarHBondContact O-ND2 3.06Å; D283-N287 PolarHBondContact O-OD1 3.07Å; H285-N287 VanDerWaalsContact C-N 3.27Å; H285-N287 PolarHBondContact O-N 3.16Å; N287-L291 PolarHBondContact O-N 3.34Å; N287-L291 VanDerWaalsContact O-N 3.12Å
288	K	93	Very high	94.1	Very high	76 Å²	76	36.7 Å²	36.7	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-66.6	-39.1	173.3	-69.6	170.4	-170.7	-68.2	0	112	F260 L284 H285 I286 L291 D292 D541	F260-K288 HydrophobicContact CE1-CG 4.4Å; F260-K288 HydrophobicContact CZ-CG 3.92Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.1Å; H285-K288 PolarHBondContact O-N 3.3Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 2.84Å; K288-L291 PolarHBondContact O-N 2.71Å; K288-D292 PolarHBondContact O-N 3.13Å; K288-D541 IonicContact NZ-OD1 2.91Å; K288-D541 IonicContact NZ-OD2 3.13Å; K288-D541 PolarHBondContact NZ-OD2 3.04Å
289	M	93.6	Very high	93.9	Very high	43 Å²	43	36.7 Å²	36.7	21%	0.212	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-38.8	177.8	-172.9	155.8	70.6	0	0	112.9	F216 H285 I286 D292 L293	F216-M289 HydrophobicContact CE1-CE 3.81Å; F216-M289 HydrophobicContact CE1-CG 4.39Å; F216-M289 HydrophobicContact CZ-CE 4.28Å; F216-M289 HydrophobicContact CZ-CG 4.24Å; H285-M289 PolarHBondContact O-N 2.94Å; I286-M289 PolarHBondContact O-N 2.88Å; I286-M289 VanDerWaalsContact O-N 3.09Å; M289-D292 PolarHBondContact O-N 2.88Å; M289-L293 HydrophobicContact CG-CD1 4Å; M289-L293 WeakPolarHBondContact O-CB 3.37Å; M289-L293 WeakPolarHBondContact O-CD1 3.34Å; M289-L293 VanDerWaalsContact O-CG 3.31Å; M289-L293 WeakPolarHBondContact O-CG 3.49Å; M289-L293 PolarHBondContact O-N 3.45Å
290	I	95.8	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-51.2	171.4	-68.4	165.8	0	0	0	109.7	F216 L228 F265 F279 I286 D292 L293 C294	F216-I290 HydrophobicContact CB-CD1 3.9Å; F216-I290 HydrophobicContact CB-CG1 4.14Å; F216-I290 HydrophobicContact CD1-CD1 4.02Å; F216-I290 HydrophobicContact CD1-CG1 3.62Å; F216-I290 HydrophobicContact CD2-CD1 4.37Å; F216-I290 HydrophobicContact CD2-CG1 3.66Å; F216-I290 HydrophobicContact CE1-CG1 3.87Å; F216-I290 HydrophobicContact CE2-CG1 3.91Å; F216-I290 HydrophobicContact CG-CD1 3.82Å; F216-I290 HydrophobicContact CG-CG1 3.5Å; F216-I290 HydrophobicContact CZ-CG1 4.02Å; L228-I290 HydrophobicContact CD2-CG2 3.98Å; F265-I290 HydrophobicContact CD1-CG2 4.49Å; F265-I290 HydrophobicContact CE1-CB 4.24Å; F265-I290 HydrophobicContact CE1-CG2 3.68Å; F265-I290 HydrophobicContact CE2-CD1 4.05Å; F265-I290 HydrophobicContact CE2-CG2 4.42Å; F265-I290 HydrophobicContact CZ-CB 3.75Å; F265-I290 HydrophobicContact CZ-CD1 4.14Å; F265-I290 HydrophobicContact CZ-CG2 3.63Å; F279-I290 HydrophobicContact CZ-CG2 4.39Å; I286-I290 HydrophobicContact CG2-CD1 3.66Å; I286-I290 HydrophobicContact CG2-CG1 4.19Å; I286-I290 WeakPolarHBondContact O-CG1 3.21Å; I286-I290 PolarHBondContact O-N 3.18Å; I290-D292 PolarHBondContact O-N 2.9Å; I290-L293 PolarHBondContact O-N 3.24Å; I290-C294 WeakPolarHBondContact O-CB 3.27Å; I290-C294 PolarHBondContact O-N 3.09Å; I290-C294 PolarHBondContact O-SG 3.36Å
291	L	95	Very high	93.6	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-43.4	-178.8	-175.5	67.1	0	0	0	112.4	V258 F260 N287 K288 L293 C294 K295 D541 F543	V258-L291 HydrophobicContact CB-CD1 4.18Å; V258-L291 HydrophobicContact CG1-CD1 3.91Å; V258-L291 WeakPolarHBondContact O-CD1 3.38Å; F260-L291 HydrophobicContact CD1-CB 4.39Å; F260-L291 HydrophobicContact CD1-CD2 4.26Å; F260-L291 HydrophobicContact CE1-CB 4.27Å; F260-L291 HydrophobicContact CE1-CD2 3.97Å; N287-L291 PolarHBondContact O-N 3.34Å; N287-L291 VanDerWaalsContact O-N 3.12Å; K288-L291 PolarHBondContact O-N 2.71Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 3.36Å; L291-C294 PolarHBondContact O-N 2.66Å; L291-K295 WeakPolarHBondContact O-CB 3.31Å; L291-K295 PolarHBondContact O-N 3Å; L291-D541 HydrophobicContact CD2-CB 3.81Å; L291-D541 WeakPolarHBondContact CD2-O 3.17Å; L291-F543 HydrophobicContact CD1-CB 3.94Å
292	D	93.3	Very high	93.4	Very high	42 Å²	42	33.9 Å²	33.9	23%	0.225	17%	0.168	C	C	.	.	H	α-helix	trans	-56.7	-44.1	174.2	-80	-42.9	0	0	0	112.5	K67 K288 M289 I290 G296	K67-D292 IonicContact NZ-OD1 3.82Å; K67-D292 PolarHBondContact NZ-OD1 3.4Å; K67-D292 IonicContact NZ-OD2 3.62Å; K67-D292 PolarHBondContact NZ-OD2 3.15Å; K288-D292 PolarHBondContact O-N 3.13Å; M289-D292 PolarHBondContact O-N 2.88Å; I290-D292 PolarHBondContact O-N 2.9Å; D292-G296 PolarHBondContact O-N 3.37Å
293	L	95.7	Very high	93.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-74	-39.1	-178.3	-72.2	166.1	0	0	0	111.7	K93 F94 N214 F216 V230 M289 I290 L291 N297	K93-L293 HydrophobicContact CG-CD2 3.92Å; F94-L293 HydrophobicContact CD1-CD2 4.49Å; F94-L293 HydrophobicContact CE1-CD2 3.99Å; N214-L293 HydrophobicContact CB-CD1 3.95Å; F216-L293 HydrophobicContact CE2-CD1 3.86Å; F216-L293 HydrophobicContact CZ-CD1 3.58Å; V230-L293 HydrophobicContact CG1-CB 4Å; M289-L293 HydrophobicContact CG-CD1 4Å; M289-L293 WeakPolarHBondContact O-CB 3.37Å; M289-L293 WeakPolarHBondContact O-CD1 3.34Å; M289-L293 VanDerWaalsContact O-CG 3.31Å; M289-L293 WeakPolarHBondContact O-CG 3.49Å; M289-L293 PolarHBondContact O-N 3.45Å; I290-L293 PolarHBondContact O-N 3.24Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 3.36Å; L293-N297 WeakPolarHBondContact O-CB 3.13Å; L293-N297 PolarHBondContact O-N 2.87Å; L293-N297 PolarHBondContact O-ND2 2.56Å
294	C	96.4	Very high	93.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-47.7	172.7	-67.8	0	0	0	0	111.1	W252 V258 I290 L291 H298	W252-C294 HydrophobicContact CH2-CB 3.8Å; W252-C294 HydrophobicContact CZ3-CB 4.2Å; V258-C294 HydrophobicContact CG1-CB 4.27Å; V258-C294 HydrophobicContact CG2-CB 4.36Å; I290-C294 WeakPolarHBondContact O-CB 3.27Å; I290-C294 PolarHBondContact O-N 3.09Å; I290-C294 PolarHBondContact O-SG 3.36Å; L291-C294 PolarHBondContact O-N 2.66Å; C294-H298 WeakPolarHBondContact O-CB 3.26Å; C294-H298 PolarHBondContact O-N 3.49Å
295	K	93.2	Very high	93.6	Very high	107 Å²	107	29.3 Å²	29.3	47%	0.465	14%	0.135	S	C	.	.	H	α-helix	trans	-57.4	-51.5	177	175	166.8	-176.8	179	0	112	L291 D299 F543	L291-K295 WeakPolarHBondContact O-CB 3.31Å; L291-K295 PolarHBondContact O-N 3Å; K295-D299 WeakPolarHBondContact O-CB 3.27Å; K295-D299 PolarHBondContact O-N 3.15Å; K295-F543 HydrophobicContact CB-CD1 4.07Å; K295-F543 HydrophobicContact CB-CD2 4.03Å; K295-F543 HydrophobicContact CB-CE1 4.27Å; K295-F543 HydrophobicContact CB-CE2 4.24Å; K295-F543 HydrophobicContact CB-CG 3.94Å; K295-F543 HydrophobicContact CB-CZ 4.34Å; K295-F543 HydrophobicContact CD-CD2 3.74Å; K295-F543 HydrophobicContact CD-CE2 4.15Å; K295-F543 HydrophobicContact CD-CG 4.3Å; K295-F543 HydrophobicContact CG-CD2 3.65Å; K295-F543 HydrophobicContact CG-CE2 3.66Å; K295-F543 HydrophobicContact CG-CG 4.1Å; K295-F543 HydrophobicContact CG-CZ 4.1Å
296	G	94.1	Very high	93.4	Very high	14 Å²	14	30.5 Å²	30.5	14%	0.144	14%	0.139	C	C	.	.	H	α-helix	trans	-69.5	-41.7	-176.6	0	0	0	0	0	114.2	D292 D299 L300	D292-G296 PolarHBondContact O-N 3.37Å; G296-D299 PolarHBondContact O-N 2.67Å; G296-L300 WeakPolarHBondContact O-CG 3.12Å; G296-L300 PolarHBondContact O-N 3.16Å
297	N	96.7	Very high	93.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-42	176.1	-76.4	-72.7	0	0	0	111.5	T231 S232 W252 L293 L300 Y301	T231-N297 WeakPolarHBondContact O-CB 3.44Å; T231-N297 PolarHBondContact O-OD1 2.7Å; S232-N297 WeakPolarHBondContact CA-OD1 3.23Å; W252-N297 HydrophobicContact CZ2-CB 3.74Å; L293-N297 WeakPolarHBondContact O-CB 3.13Å; L293-N297 PolarHBondContact O-N 2.87Å; L293-N297 PolarHBondContact O-ND2 2.56Å; N297-L300 PolarHBondContact O-N 3.11Å; N297-Y301 VanDerWaalsContact O-CB 3.28Å; N297-Y301 WeakPolarHBondContact O-CB 3.47Å; N297-Y301 PolarHBondContact O-N 2.95Å
298	H	93.7	Very high	93.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-46.1	173.5	177.5	-80.8	0	0	0	112.1	W252 C294 L300 Y301 M302 F543 P545 F548	W252-H298 HydrophobicContact CD2-CB 4.1Å; W252-H298 HydrophobicContact CE3-CB 3.92Å; W252-H298 HydrophobicContact CZ3-CB 4.41Å; C294-H298 WeakPolarHBondContact O-CB 3.26Å; C294-H298 PolarHBondContact O-N 3.49Å; H298-L300 VanDerWaalsContact C-N 3.25Å; H298-L300 PolarHBondContact O-N 2.85Å; H298-Y301 PolarHBondContact O-N 3.29Å; H298-M302 VanDerWaalsContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact O-CB 3.26Å; H298-M302 WeakPolarHBondContact O-CG 3.47Å; H298-M302 PolarHBondContact O-N 3.38Å; H298-F543 HydrophobicContact CB-CE1 3.9Å; H298-F543 HydrophobicContact CB-CZ 4.18Å; H298-F543 AromaticContact CG-CE1 3.89Å; H298-F543 AromaticContact ND1-CE1 3.9Å; H298-F543 AromaticContact ND1-CZ 3.56Å; H298-P545 VanDerWaalsContact CE1-CB 3.42Å; H298-P545 WeakPolarHBondContact CE1-CB 3.42Å; H298-F548 AromaticContact NE2-CZ 3.98Å
299	D	92.7	Very high	93.1	Very high	23 Å²	23	37.7 Å²	37.7	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-26.1	178.4	-103.9	29.9	0	0	0	113	K295 G296 R303 K546	K295-D299 WeakPolarHBondContact O-CB 3.27Å; K295-D299 PolarHBondContact O-N 3.15Å; G296-D299 PolarHBondContact O-N 2.67Å; D299-R303 VanDerWaalsContact O-CG 3.26Å; D299-R303 WeakPolarHBondContact O-CG 3.42Å; D299-R303 PolarHBondContact O-N 3.35Å; D299-R303 PolarHBondContact O-NE 2.86Å; D299-K546 IonicContact OD1-NZ 3.87Å; D299-K546 IonicContact OD2-NZ 3.53Å; D299-K546 PolarHBondContact OD2-NZ 3.18Å
300	L	94.9	Very high	93.1	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-80.8	-45.2	172.4	-73.8	170.7	0	0	0	112.4	W50 F94 G296 N297 H298 M302 R303 R304	W50-L300 HydrophobicContact CB-CD2 4.16Å; W50-L300 HydrophobicContact CG-CD2 4.2Å; F94-L300 HydrophobicContact CB-CD1 3.38Å; F94-L300 HydrophobicContact CD1-CD1 4.31Å; F94-L300 HydrophobicContact CD2-CD1 4.13Å; F94-L300 HydrophobicContact CG-CD1 3.69Å; G296-L300 WeakPolarHBondContact O-CG 3.12Å; G296-L300 PolarHBondContact O-N 3.16Å; N297-L300 PolarHBondContact O-N 3.11Å; H298-L300 VanDerWaalsContact C-N 3.25Å; H298-L300 PolarHBondContact O-N 2.85Å; L300-M302 PolarHBondContact O-N 3.39Å; L300-R303 WeakPolarHBondContact O-CA 3.41Å; L300-R303 WeakPolarHBondContact O-CB 3.39Å; L300-R303 PolarHBondContact O-N 2.98Å; L300-R304 PolarHBondContact O-N 2.96Å
301	Y	94.1	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-51.8	-41.1	172.7	178.2	-84.7	0	0	0	111.6	E97 W252 N253 N297 H298 R305 M555	E97-Y301 WeakPolarHBondContact OE1-CD2 3.44Å; W252-Y301 HydrophobicContact CB-CD1 3.48Å; W252-Y301 VanDerWaalsContact CB-CD1 3.48Å; W252-Y301 HydrophobicContact CB-CD2 3.75Å; W252-Y301 HydrophobicContact CB-CE1 3.69Å; W252-Y301 HydrophobicContact CB-CE2 3.91Å; W252-Y301 HydrophobicContact CB-CG 3.52Å; W252-Y301 AromaticContact CD1-CD2 3.56Å; W252-Y301 AromaticContact CD1-CG 3.73Å; W252-Y301 HydrophobicContact CG-CD1 4.39Å; W252-Y301 HydrophobicContact CG-CD2 4.06Å; W252-Y301 AromaticContact CG-CG 3.97Å; W252-Y301 HydrophobicContact CG-CG 3.97Å; N253-Y301 HydrophobicContact CB-CE1 4.07Å; N253-Y301 WeakPolarHBondContact CB-OH 3.24Å; N253-Y301 PolarHBondContact OD1-OH 2.83Å; N253-Y301 VanDerWaalsContact OD1-OH 3.06Å; N297-Y301 VanDerWaalsContact O-CB 3.28Å; N297-Y301 WeakPolarHBondContact O-CB 3.47Å; N297-Y301 PolarHBondContact O-N 2.95Å; H298-Y301 PolarHBondContact O-N 3.29Å; Y301-R305 VanDerWaalsContact CD2-CZ 3.43Å; Y301-R305 VanDerWaalsContact CZ-NE 3.28Å; Y301-R305 WeakPolarHBondContact O-CD 3.3Å; Y301-R305 PolarHBondContact O-N 2.87Å; Y301-R305 PolarHBondContact O-NH1 3.22Å; Y301-R305 VanDerWaalsContact O-NH1 3.08Å; Y301-R305 PolarHBondContact OH-NE 2.89Å; Y301-M555 HydrophobicContact CE1-SD 4.01Å
302	M	90.3	Very high	93	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.044	23%	0.233	C	C	.	.	H	α-helix	trans	-75.4	-16.2	176	-76.9	-67.4	-119.3	0	0	115.4	H298 L300 K306 K546 F548 M555	H298-M302 VanDerWaalsContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact O-CB 3.26Å; H298-M302 WeakPolarHBondContact O-CG 3.47Å; H298-M302 PolarHBondContact O-N 3.38Å; L300-M302 PolarHBondContact O-N 3.39Å; M302-K306 WeakPolarHBondContact O-CD 3.39Å; M302-K306 WeakPolarHBondContact O-CE 3.49Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; M302-K546 WeakPolarHBondContact CE-O 3.37Å; M302-F548 HydrophobicContact CE-CB 4.47Å; M302-F548 HydrophobicContact CE-CD1 3.44Å; M302-F548 VanDerWaalsContact CE-CD1 3.44Å; M302-F548 HydrophobicContact CE-CD2 3.86Å; M302-F548 HydrophobicContact CE-CE1 3.35Å; M302-F548 HydrophobicContact CE-CE2 3.78Å; M302-F548 HydrophobicContact CE-CG 3.68Å; M302-F548 HydrophobicContact CE-CZ 3.51Å; M302-F548 HydrophobicContact SD-CD1 3.7Å; M302-F548 HydrophobicContact SD-CE1 3.37Å; M302-F548 WeakPolarHBondContact SD-CE1 3.36Å; M302-F548 HydrophobicContact SD-CZ 3.97Å; M302-M555 HydrophobicContact SD-CE 4.24Å
303	R	91.4	Very high	93.1	Very high	135 Å²	135	49.4 Å²	49.4	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-82.9	-44.5	171	-74.3	170.4	-148	-161.4	1.6	111.2	D299 L300 R305 K306	D299-R303 VanDerWaalsContact O-CG 3.26Å; D299-R303 WeakPolarHBondContact O-CG 3.42Å; D299-R303 PolarHBondContact O-N 3.35Å; D299-R303 PolarHBondContact O-NE 2.86Å; L300-R303 WeakPolarHBondContact O-CA 3.41Å; L300-R303 WeakPolarHBondContact O-CB 3.39Å; L300-R303 PolarHBondContact O-N 2.98Å; R303-R305 PolarHBondContact O-N 2.92Å; R303-K306 PolarHBondContact O-N 3.12Å
304	R	92.2	Very high	93.1	Very high	40 Å²	40	54.7 Å²	54.7	15%	0.151	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-30.8	176.7	-67	162.5	-177.3	135.6	4.9	113.2	F95 E97 E102 S232 L300 K306	F95-R304 PolarHBondContact O-NH2 3.21Å; E97-R304 WeakPolarHBondContact OE1-CD 3.41Å; E97-R304 IonicContact OE1-CZ 3.51Å; E97-R304 IonicContact OE1-NE 3.86Å; E97-R304 PolarHBondContact OE1-NE 3.04Å; E97-R304 IonicContact OE1-NH1 3.81Å; E97-R304 PolarHBondContact OE1-NH1 2.94Å; E102-R304 VanDerWaalsContact CD-NE 3.27Å; E102-R304 IonicContact OE1-NE 3.84Å; E102-R304 PolarHBondContact OE1-NE 3.37Å; E102-R304 IonicContact OE2-CZ 2.74Å; E102-R304 VanDerWaalsContact OE2-CZ 3.22Å; E102-R304 IonicContact OE2-NE 3.09Å; E102-R304 PolarHBondContact OE2-NE 3.38Å; E102-R304 IonicContact OE2-NH2 3.7Å; E102-R304 PolarHBondContact OE2-NH2 3.06Å; S232-R304 PolarHBondContact O-NH1 2.58Å; L300-R304 PolarHBondContact O-N 2.96Å; R304-K306 VanDerWaalsContact C-N 3.26Å; R304-K306 PolarHBondContact O-N 3.45Å
305	R	90.3	Very high	93.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.008	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	27.7	178.4	-67.3	156.9	-178.9	80.4	3.5	112.7	E97 Y301 R303 L550 M555 I558 T559 M562	E97-R305 IonicContact OE1-CZ 2.64Å; E97-R305 IonicContact OE1-NH1 2.75Å; E97-R305 PolarHBondContact OE1-NH1 3.34Å; E97-R305 IonicContact OE1-NH2 3.69Å; E97-R305 IonicContact OE2-CZ 2.71Å; E97-R305 IonicContact OE2-NH1 2.75Å; E97-R305 PolarHBondContact OE2-NH1 3.11Å; E97-R305 IonicContact OE2-NH2 3.89Å; E97-R305 PolarHBondContact OE2-NH2 3.06Å; Y301-R305 VanDerWaalsContact CD2-CZ 3.43Å; Y301-R305 VanDerWaalsContact CZ-NE 3.28Å; Y301-R305 WeakPolarHBondContact O-CD 3.3Å; Y301-R305 PolarHBondContact O-N 2.87Å; Y301-R305 PolarHBondContact O-NH1 3.22Å; Y301-R305 VanDerWaalsContact O-NH1 3.08Å; Y301-R305 PolarHBondContact OH-NE 2.89Å; R303-R305 PolarHBondContact O-N 2.92Å; R305-L550 WeakPolarHBondContact O-CD1 3.41Å; R305-M555 HydrophobicContact CB-CE 3.78Å; R305-M555 HydrophobicContact CG-CE 4.29Å; R305-I558 HydrophobicContact CB-CD1 4.49Å; R305-I558 HydrophobicContact CG-CB 4.48Å; R305-I558 HydrophobicContact CG-CG2 3.96Å; R305-T559 PolarHBondContact NE-OG1 3.43Å; R305-T559 VanDerWaalsContact NE-OG1 3.1Å; R305-T559 PolarHBondContact NH2-OG1 3.31Å; R305-M562 VanDerWaalsContact CZ-CE 3.5Å
306	K	87.7	Confident	93.2	Very high	78 Å²	78	53.2 Å²	53.2	34%	0.339	26%	0.264	S	S	.	.	S	Bend	trans	-136.6	153.6	170.3	-66.1	179.2	-174.3	-178	0	108	M302 R303 R304 D308	M302-K306 WeakPolarHBondContact O-CD 3.39Å; M302-K306 WeakPolarHBondContact O-CE 3.49Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; R303-K306 PolarHBondContact O-N 3.12Å; R304-K306 VanDerWaalsContact C-N 3.26Å; R304-K306 PolarHBondContact O-N 3.45Å; K306-D308 PolarHBondContact O-N 3.48Å
307	P	89	Confident	93.3	Very high	122 Å²	122	55.2 Å²	55.2	79%	0.792	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-55.9	140.5	175.8	-25.2	34.9	0	0	0	111.8	T309	P307-T309 PolarHBondContact O-N 3.26Å
308	D	91.5	Very high	93.2	Very high	65 Å²	65	60.2 Å²	60.2	35%	0.348	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-50	137.5	176.3	-80.4	-29.6	0	0	0	110.9	K306 I312 Q313 K316	K306-D308 PolarHBondContact O-N 3.48Å; D308-I312 HydrophobicContact CB-CB 4.17Å; D308-I312 HydrophobicContact CB-CG2 3.91Å; D308-I312 WeakPolarHBondContact OD1-CG2 3.38Å; D308-Q313 HydrophobicContact CB-CG 3.69Å; D308-Q313 PolarHBondContact O-NE2 2.92Å; D308-K316 IonicContact OD1-NZ 2.7Å; D308-K316 PolarHBondContact OD1-NZ 2.94Å; D308-K316 WeakPolarHBondContact OD2-CD 3.26Å; D308-K316 WeakPolarHBondContact OD2-CE 3.22Å; D308-K316 IonicContact OD2-NZ 3.82Å; D308-K316 PolarHBondContact OD2-NZ 2.95Å
309	T	93.7	Very high	93.2	Very high	81 Å²	81	61.7 Å²	61.7	50%	0.497	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-64.9	156.6	173.2	69.2	0	0	0	0	110.4	P307 E311 I312 Q313	P307-T309 PolarHBondContact O-N 3.26Å; T309-E311 PolarHBondContact O-N 2.95Å; T309-E311 VanDerWaalsContact O-N 3.11Å; T309-I312 HydrophobicContact CG2-CD1 4.42Å; T309-I312 PolarHBondContact O-N 3.33Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.49Å; T309-I312 PolarHBondContact OG1-N 3.23Å; T309-Q313 WeakPolarHBondContact O-CG 3.49Å; T309-Q313 PolarHBondContact O-N 3.4Å
310	M	94.2	Very high	93.2	Very high	140 Å²	140	67.1 Å²	67.1	69%	0.69	34%	0.338	S	S	*	.	H	α-helix	trans	-58	-28.1	178.2	-177.1	158.5	54.1	0	0	112.9	Q314	M310-Q314 WeakPolarHBondContact O-CB 3.42Å; M310-Q314 VanDerWaalsContact O-CG 3.23Å; M310-Q314 WeakPolarHBondContact O-CG 3.32Å; M310-Q314 PolarHBondContact O-N 3.42Å
311	E	93.6	Very high	93.1	Very high	67 Å²	67	73.4 Å²	73.4	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-47.3	171.4	-176.9	170.1	-160.9	0	0	112.2	R47 T309 Q313 Q314 M315	R47-E311 IonicContact CZ-OE1 3.21Å; R47-E311 IonicContact NE-OE1 2.71Å; R47-E311 VanDerWaalsContact NH2-CG 3.28Å; R47-E311 IonicContact NH2-OE1 3.36Å; R47-E311 PolarHBondContact NH2-OE1 2.94Å; T309-E311 PolarHBondContact O-N 2.95Å; T309-E311 VanDerWaalsContact O-N 3.11Å; E311-Q313 VanDerWaalsContact C-N 3.31Å; E311-Q313 PolarHBondContact O-N 2.9Å; E311-Q314 WeakPolarHBondContact O-CB 3.24Å; E311-Q314 PolarHBondContact O-N 3.18Å; E311-M315 HydrophobicContact CG-SD 4.09Å; E311-M315 WeakPolarHBondContact O-CG 3.38Å; E311-M315 PolarHBondContact O-N 3.4Å
312	I	94.3	Very high	93	Very high	33 Å²	33	77.4 Å²	77.4	17%	0.169	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-39.6	177.8	-66.7	168.6	0	0	0	110.5	W50 I104 D308 T309 Q314 M315 K316	W50-I312 HydrophobicContact CH2-CD1 4.33Å; W50-I312 HydrophobicContact CH2-CG1 4.03Å; I104-I312 HydrophobicContact CD1-CG2 3.99Å; D308-I312 HydrophobicContact CB-CB 4.17Å; D308-I312 HydrophobicContact CB-CG2 3.91Å; D308-I312 WeakPolarHBondContact OD1-CG2 3.38Å; T309-I312 HydrophobicContact CG2-CD1 4.42Å; T309-I312 PolarHBondContact O-N 3.33Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.49Å; T309-I312 PolarHBondContact OG1-N 3.23Å; I312-Q314 PolarHBondContact O-N 3.41Å; I312-M315 PolarHBondContact O-N 2.93Å; I312-K316 HydrophobicContact CG2-CD 4.12Å; I312-K316 HydrophobicContact CG2-CG 4.38Å; I312-K316 WeakPolarHBondContact O-CB 3.39Å; I312-K316 WeakPolarHBondContact O-CG 3.39Å; I312-K316 PolarHBondContact O-N 3.23Å
313	Q	95.5	Very high	93	Very high	106 Å²	106	80.4 Å²	80.4	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-61.1	-43	174	-66.5	-179.7	27.8	0	0	111.8	D308 T309 E311 A317	D308-Q313 HydrophobicContact CB-CG 3.69Å; D308-Q313 PolarHBondContact O-NE2 2.92Å; T309-Q313 WeakPolarHBondContact O-CG 3.49Å; T309-Q313 PolarHBondContact O-N 3.4Å; E311-Q313 VanDerWaalsContact C-N 3.31Å; E311-Q313 PolarHBondContact O-N 2.9Å; Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.45Å; Q313-A317 PolarHBondContact O-N 2.69Å
314	Q	96.4	Very high	92.9	Very high	112 Å²	112	79 Å²	79	52%	0.523	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-42	174.5	-75.7	170.3	4.1	0	0	112.1	M310 E311 I312 A317 Q318	M310-Q314 WeakPolarHBondContact O-CB 3.42Å; M310-Q314 VanDerWaalsContact O-CG 3.23Å; M310-Q314 WeakPolarHBondContact O-CG 3.32Å; M310-Q314 PolarHBondContact O-N 3.42Å; E311-Q314 WeakPolarHBondContact O-CB 3.24Å; E311-Q314 PolarHBondContact O-N 3.18Å; I312-Q314 PolarHBondContact O-N 3.41Å; Q314-A317 PolarHBondContact O-N 3.3Å; Q314-Q318 WeakPolarHBondContact O-CB 3.47Å; Q314-Q318 PolarHBondContact O-N 2.87Å
315	M	95.9	Very high	93	Very high	6 Å²	6	84.3 Å²	84.3	3%	0.03	42%	0.418	C	S	.	.	H	α-helix	trans	-62.8	-47.7	176.1	-71	170.9	58.7	0	0	111.7	R47 E48 W50 I104 Q105 E311 I312 A317 Q318 A319	R47-M315 HydrophobicContact CB-CE 3.72Å; R47-M315 HydrophobicContact CB-SD 4.02Å; R47-M315 VanDerWaalsContact CZ-CG 3.47Å; E48-M315 HydrophobicContact CG-CE 3.51Å; W50-M315 HydrophobicContact CH2-CE 4.33Å; I104-M315 HydrophobicContact CD1-CB 4.36Å; I104-M315 HydrophobicContact CD1-CE 4.28Å; I104-M315 HydrophobicContact CG2-CB 3.9Å; I104-M315 WeakPolarHBondContact CG2-O 3.12Å; Q105-M315 HydrophobicContact CG-CE 4.29Å; E311-M315 HydrophobicContact CG-SD 4.09Å; E311-M315 WeakPolarHBondContact O-CG 3.38Å; E311-M315 PolarHBondContact O-N 3.4Å; I312-M315 PolarHBondContact O-N 2.93Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 2.76Å; M315-Q318 PolarHBondContact O-N 2.8Å; M315-A319 WeakPolarHBondContact O-CB 3.2Å; M315-A319 PolarHBondContact O-N 3.37Å
316	K	95.6	Very high	92.9	Very high	71 Å²	71	88.7 Å²	88.7	31%	0.309	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-37.5	176.6	-73.3	-178.8	179.9	176	0	112	I104 D308 I312 K320	I104-K316 HydrophobicContact CD1-CG 3.85Å; I104-K316 HydrophobicContact CG1-CG 3.94Å; I104-K316 HydrophobicContact CG2-CG 4.15Å; D308-K316 IonicContact OD1-NZ 2.7Å; D308-K316 PolarHBondContact OD1-NZ 2.94Å; D308-K316 WeakPolarHBondContact OD2-CD 3.26Å; D308-K316 WeakPolarHBondContact OD2-CE 3.22Å; D308-K316 IonicContact OD2-NZ 3.82Å; D308-K316 PolarHBondContact OD2-NZ 2.95Å; I312-K316 HydrophobicContact CG2-CD 4.12Å; I312-K316 HydrophobicContact CG2-CG 4.38Å; I312-K316 WeakPolarHBondContact O-CB 3.39Å; I312-K316 WeakPolarHBondContact O-CG 3.39Å; I312-K316 PolarHBondContact O-N 3.23Å; K316-K320 WeakPolarHBondContact O-CB 3.3Å; K316-K320 PolarHBondContact O-N 2.59Å
317	A	95.8	Very high	93	Very high	57 Å²	57	88 Å²	88	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-48.8	174.8	0	0	0	0	0	111.8	Q313 Q314 M315 K320 E321	Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.45Å; Q313-A317 PolarHBondContact O-N 2.69Å; Q314-A317 PolarHBondContact O-N 3.3Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 2.76Å; A317-K320 PolarHBondContact O-N 3.07Å; A317-E321 WeakPolarHBondContact O-CB 3.36Å; A317-E321 PolarHBondContact O-N 2.92Å
318	Q	94.4	Very high	93.1	Very high	107 Å²	107	87.9 Å²	87.9	50%	0.5	42%	0.424	S	S	.	.	H	α-helix	trans	-59.9	-49.8	177.9	-177.6	-176.8	-9.6	0	0	111.6	Q314 M315 K320 E321 E322	Q314-Q318 WeakPolarHBondContact O-CB 3.47Å; Q314-Q318 PolarHBondContact O-N 2.87Å; M315-Q318 PolarHBondContact O-N 2.8Å; Q318-K320 VanDerWaalsContact C-N 3.29Å; Q318-K320 PolarHBondContact O-N 2.92Å; Q318-E321 PolarHBondContact O-N 3.27Å; Q318-E322 WeakPolarHBondContact O-CB 3.49Å; Q318-E322 PolarHBondContact O-N 3.35Å
319	A	93.2	Very high	93	Very high	32 Å²	32	89 Å²	89	26%	0.264	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-37.7	178.6	0	0	0	0	0	112.1	I104 M315 K323	I104-A319 HydrophobicContact CG2-CB 3.84Å; I104-A319 WeakPolarHBondContact O-CB 3.47Å; M315-A319 WeakPolarHBondContact O-CB 3.2Å; M315-A319 PolarHBondContact O-N 3.37Å; A319-K323 VanDerWaalsContact O-CB 3.25Å; A319-K323 WeakPolarHBondContact O-CB 3.23Å; A319-K323 PolarHBondContact O-N 2.87Å
320	K	92.8	Very high	92.7	Very high	136 Å²	136	87.9 Å²	87.9	59%	0.591	41%	0.414	S	S	*	.	H	α-helix	trans	-67.6	-43	175.7	-177.4	175.9	-179.3	176.3	0	112.5	K316 A317 Q318 Q324	K316-K320 WeakPolarHBondContact O-CB 3.3Å; K316-K320 PolarHBondContact O-N 2.59Å; A317-K320 PolarHBondContact O-N 3.07Å; Q318-K320 VanDerWaalsContact C-N 3.29Å; Q318-K320 PolarHBondContact O-N 2.92Å; K320-Q324 WeakPolarHBondContact O-CB 3.35Å; K320-Q324 VanDerWaalsContact O-CG 3.23Å; K320-Q324 WeakPolarHBondContact O-CG 3.45Å; K320-Q324 PolarHBondContact O-N 2.91Å
321	E	93.8	Very high	92.5	Very high	142 Å²	142	87.8 Å²	87.8	66%	0.664	41%	0.409	S	S	*	.	H	α-helix	trans	-62.8	-47.3	175.7	-176	178.4	170.5	0	0	111	A317 Q318 Q324 R325	A317-E321 WeakPolarHBondContact O-CB 3.36Å; A317-E321 PolarHBondContact O-N 2.92Å; Q318-E321 PolarHBondContact O-N 3.27Å; E321-Q324 PolarHBondContact O-N 2.55Å; E321-R325 PolarHBondContact O-N 3.18Å
322	E	91.6	Very high	92.4	Very high	84 Å²	84	91.2 Å²	91.2	39%	0.393	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-45.8	178.8	-174.4	168.4	176.9	0	0	111.9	Q318 Q324 R325 R326	Q318-E322 WeakPolarHBondContact O-CB 3.49Å; Q318-E322 PolarHBondContact O-N 3.35Å; E322-Q324 VanDerWaalsContact C-N 3.32Å; E322-Q324 PolarHBondContact O-N 3.48Å; E322-R325 PolarHBondContact O-N 2.99Å; E322-R326 WeakPolarHBondContact O-CG 3.38Å; E322-R326 PolarHBondContact O-N 2.76Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 2.79Å; E322-R326 PolarHBondContact OE1-NE 3.23Å; E322-R326 IonicContact OE1-NH2 2.7Å; E322-R326 PolarHBondContact OE1-NH2 2.88Å
323	K	89.4	Confident	92.2	Very high	73 Å²	73	96.2 Å²	96.2	32%	0.317	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-37.6	175.5	-160.4	178.3	-168.9	84.1	0	111.7	D195 A319 Q327	D195-K323 IonicContact OD2-NZ 2.84Å; D195-K323 PolarHBondContact OD2-NZ 2.77Å; A319-K323 VanDerWaalsContact O-CB 3.25Å; A319-K323 WeakPolarHBondContact O-CB 3.23Å; A319-K323 PolarHBondContact O-N 2.87Å; K323-Q327 WeakPolarHBondContact O-CB 3.32Å; K323-Q327 VanDerWaalsContact O-CG 3.27Å; K323-Q327 WeakPolarHBondContact O-CG 3.42Å; K323-Q327 PolarHBondContact O-N 3.28Å
324	Q	91.1	Very high	91.8	Very high	106 Å²	106	93.6 Å²	93.6	50%	0.495	43%	0.433	S	S	.	.	H	α-helix	trans	-65.2	-44	173.7	-78.4	-179.5	-6.7	0	0	112.2	K320 E321 E322 Q327 I328	K320-Q324 WeakPolarHBondContact O-CB 3.35Å; K320-Q324 VanDerWaalsContact O-CG 3.23Å; K320-Q324 WeakPolarHBondContact O-CG 3.45Å; K320-Q324 PolarHBondContact O-N 2.91Å; E321-Q324 PolarHBondContact O-N 2.55Å; E322-Q324 VanDerWaalsContact C-N 3.32Å; E322-Q324 PolarHBondContact O-N 3.48Å; Q324-Q327 PolarHBondContact O-N 2.81Å; Q324-I328 WeakPolarHBondContact O-CG1 3.48Å; Q324-I328 PolarHBondContact O-N 3.19Å
325	R	93.1	Very high	91.6	Very high	150 Å²	150	97.1 Å²	97.1	57%	0.566	44%	0.442	S	S	*	.	H	α-helix	trans	-58.2	-54.5	175	-178.6	-174.6	167.4	-156.9	-11.1	110.9	E321 E322 Q327 I328 E329	E321-R325 PolarHBondContact O-N 3.18Å; E322-R325 PolarHBondContact O-N 2.99Å; R325-Q327 VanDerWaalsContact C-N 3.27Å; R325-Q327 PolarHBondContact O-N 3.01Å; R325-I328 WeakPolarHBondContact O-CB 3.46Å; R325-I328 PolarHBondContact O-N 3.07Å; R325-E329 IonicContact CZ-OE1 2.71Å; R325-E329 IonicContact NE-OE1 3.39Å; R325-E329 PolarHBondContact NE-OE1 2.72Å; R325-E329 IonicContact NE-OE2 3.51Å; R325-E329 IonicContact NH2-OE1 3.83Å; R325-E329 PolarHBondContact NH2-OE1 3.49Å; R325-E329 IonicContact NH2-OE2 2.6Å; R325-E329 PolarHBondContact O-N 3.15Å
326	R	88.7	Confident	91.4	Very high	94 Å²	94	102.1 Å²	102.1	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-57.1	-38.8	177.9	-67.8	177.9	-175.2	-163.3	12.2	111.8	E106 E322 E329 R330	E106-R326 IonicContact OE1-CZ 3.16Å; E106-R326 IonicContact OE1-NE 2.62Å; E106-R326 IonicContact OE1-NH1 3.84Å; E106-R326 PolarHBondContact OE1-NH1 2.97Å; E106-R326 IonicContact OE1-NH2 3.22Å; E106-R326 PolarHBondContact OE1-NH2 3.29Å; E106-R326 IonicContact OE2-CZ 3.4Å; E106-R326 VanDerWaalsContact OE2-CZ 3.24Å; E106-R326 IonicContact OE2-NH1 3.96Å; E106-R326 PolarHBondContact OE2-NH1 3.03Å; E106-R326 IonicContact OE2-NH2 2.73Å; E106-R326 PolarHBondContact OE2-NH2 3.17Å; E322-R326 WeakPolarHBondContact O-CG 3.38Å; E322-R326 PolarHBondContact O-N 2.76Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 2.79Å; E322-R326 PolarHBondContact OE1-NE 3.23Å; E322-R326 IonicContact OE1-NH2 2.7Å; E322-R326 PolarHBondContact OE1-NH2 2.88Å; R326-E329 PolarHBondContact O-N 3.13Å; R326-R330 VanDerWaalsContact O-CB 3.23Å; R326-R330 WeakPolarHBondContact O-CB 3.47Å; R326-R330 PolarHBondContact O-N 2.81Å
327	Q	88.7	Confident	91.2	Very high	64 Å²	64	102.6 Å²	102.6	30%	0.299	47%	0.467	S	S	.	.	H	α-helix	trans	-67.5	-34.4	175.1	-79.7	-174.8	3.9	0	0	113.8	K323 Q324 R325 K331	K323-Q327 WeakPolarHBondContact O-CB 3.32Å; K323-Q327 VanDerWaalsContact O-CG 3.27Å; K323-Q327 WeakPolarHBondContact O-CG 3.42Å; K323-Q327 PolarHBondContact O-N 3.28Å; Q324-Q327 PolarHBondContact O-N 2.81Å; R325-Q327 VanDerWaalsContact C-N 3.27Å; R325-Q327 PolarHBondContact O-N 3.01Å; Q327-K331 VanDerWaalsContact O-CB 3.26Å; Q327-K331 WeakPolarHBondContact O-CB 3.48Å; Q327-K331 WeakPolarHBondContact O-CD 3.27Å; Q327-K331 WeakPolarHBondContact O-CG 3.41Å; Q327-K331 PolarHBondContact O-N 3.34Å
328	I	91.5	Very high	90.9	Very high	120 Å²	120	106.4 Å²	106.4	62%	0.615	47%	0.473	S	S	*	.	H	α-helix	trans	-68	-46.6	174.5	-69.6	163.3	0	0	0	109.9	Q324 R325 K331 K332	Q324-I328 WeakPolarHBondContact O-CG1 3.48Å; Q324-I328 PolarHBondContact O-N 3.19Å; R325-I328 WeakPolarHBondContact O-CB 3.46Å; R325-I328 PolarHBondContact O-N 3.07Å; I328-K331 PolarHBondContact O-N 2.88Å; I328-K332 PolarHBondContact O-N 3.44Å
329	E	90	Very high	91	Very high	87 Å²	87	106.4 Å²	106.4	41%	0.407	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-45.4	178	-69.8	168.1	167.5	0	0	111.4	R325 R326 K332 F333	R325-E329 IonicContact CZ-OE1 2.71Å; R325-E329 IonicContact NE-OE1 3.39Å; R325-E329 PolarHBondContact NE-OE1 2.72Å; R325-E329 IonicContact NE-OE2 3.51Å; R325-E329 IonicContact NH2-OE1 3.83Å; R325-E329 PolarHBondContact NH2-OE1 3.49Å; R325-E329 IonicContact NH2-OE2 2.6Å; R325-E329 PolarHBondContact O-N 3.15Å; R326-E329 PolarHBondContact O-N 3.13Å; E329-K332 WeakPolarHBondContact O-CB 3.3Å; E329-K332 PolarHBondContact O-N 3.4Å; E329-F333 WeakPolarHBondContact O-CB 3.33Å; E329-F333 PolarHBondContact O-N 3.14Å
330	R	86.5	Confident	91	Very high	58 Å²	58	112.6 Å²	112.6	22%	0.219	49%	0.492	C	S	.	.	H	α-helix	trans	-64.2	-39	174	177.5	161.1	151.5	-120.1	3.7	113.1	P191 E196 R326 F333 I334	P191-R330 VanDerWaalsContact O-CZ 3.27Å; P191-R330 PolarHBondContact O-NE 3Å; P191-R330 VanDerWaalsContact O-NE 3.13Å; P191-R330 PolarHBondContact O-NH2 2.86Å; E196-R330 IonicContact OE1-CZ 3.63Å; E196-R330 IonicContact OE1-NH1 2.73Å; E196-R330 PolarHBondContact OE1-NH1 3.05Å; E196-R330 IonicContact OE1-NH2 3.58Å; E196-R330 IonicContact OE2-CZ 3.96Å; E196-R330 IonicContact OE2-NH1 2.91Å; E196-R330 PolarHBondContact OE2-NH1 3.06Å; E196-R330 IonicContact OE2-NH2 2.7Å; E196-R330 PolarHBondContact OE2-NH2 3.02Å; R326-R330 VanDerWaalsContact O-CB 3.23Å; R326-R330 WeakPolarHBondContact O-CB 3.47Å; R326-R330 PolarHBondContact O-N 2.81Å; R330-F333 PolarHBondContact O-N 3.1Å; R330-I334 HydrophobicContact CG-CD1 3.74Å; R330-I334 HydrophobicContact CG-CG1 4.39Å; R330-I334 WeakPolarHBondContact O-CB 3.34Å; R330-I334 VanDerWaalsContact O-CG1 3.3Å; R330-I334 WeakPolarHBondContact O-CG1 3.36Å; R330-I334 PolarHBondContact O-N 3.2Å
331	K	89.8	Confident	90.9	Very high	138 Å²	138	110.4 Å²	110.4	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-66.1	-36.2	173.9	-77.9	166.8	-176	166.1	0	112.3	Q327 I328 R335	Q327-K331 VanDerWaalsContact O-CB 3.26Å; Q327-K331 WeakPolarHBondContact O-CB 3.48Å; Q327-K331 WeakPolarHBondContact O-CD 3.27Å; Q327-K331 WeakPolarHBondContact O-CG 3.41Å; Q327-K331 PolarHBondContact O-N 3.34Å; I328-K331 PolarHBondContact O-N 2.88Å; K331-R335 WeakPolarHBondContact O-CB 3.33Å; K331-R335 PolarHBondContact O-N 3.41Å
332	K	92.3	Very high	91	Very high	140 Å²	140	109 Å²	109	61%	0.609	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-52.8	170.5	-174	-161.7	170.3	-157.5	0	110.1	I328 E329 I334 R335 E336	I328-K332 PolarHBondContact O-N 3.44Å; E329-K332 WeakPolarHBondContact O-CB 3.3Å; E329-K332 PolarHBondContact O-N 3.4Å; K332-I334 PolarHBondContact O-N 2.88Å; K332-R335 WeakPolarHBondContact O-CB 3.35Å; K332-R335 PolarHBondContact O-N 3.2Å; K332-R335 VanDerWaalsContact O-N 3.15Å; K332-E336 WeakPolarHBondContact CE-OE2 3.31Å; K332-E336 IonicContact NZ-OE2 2.76Å; K332-E336 WeakPolarHBondContact O-CB 3.5Å; K332-E336 PolarHBondContact O-N 3.26Å
333	F	89.1	Confident	91.2	Very high	137 Å²	137	107.6 Å²	107.6	60%	0.601	48%	0.478	S	S	*	.	H	α-helix	trans	-58.7	-46.7	-178.5	179.8	-100.5	0	0	0	113	E329 R330 R335 E336 K337	E329-F333 WeakPolarHBondContact O-CB 3.33Å; E329-F333 PolarHBondContact O-N 3.14Å; R330-F333 PolarHBondContact O-N 3.1Å; F333-R335 VanDerWaalsContact C-N 3.29Å; F333-R335 PolarHBondContact O-N 2.99Å; F333-E336 WeakPolarHBondContact O-CB 3.36Å; F333-E336 PolarHBondContact O-N 2.89Å; F333-E336 VanDerWaalsContact O-N 3.09Å; F333-K337 WeakPolarHBondContact O-CB 3.21Å; F333-K337 PolarHBondContact O-N 3.25Å
334	I	87.8	Confident	91.4	Very high	52 Å²	52	107.1 Å²	107.1	27%	0.267	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-36.2	177.5	-68.3	167.8	0	0	0	111.4	P191 R330 K332 K338	P191-I334 HydrophobicContact CB-CD1 4.18Å; P191-I334 HydrophobicContact CG-CD1 4.35Å; R330-I334 HydrophobicContact CG-CD1 3.74Å; R330-I334 HydrophobicContact CG-CG1 4.39Å; R330-I334 WeakPolarHBondContact O-CB 3.34Å; R330-I334 VanDerWaalsContact O-CG1 3.3Å; R330-I334 WeakPolarHBondContact O-CG1 3.36Å; R330-I334 PolarHBondContact O-N 3.2Å; K332-I334 PolarHBondContact O-N 2.88Å; I334-K338 HydrophobicContact CG2-CD 4.4Å; I334-K338 WeakPolarHBondContact O-CB 3.5Å; I334-K338 WeakPolarHBondContact O-CG 3.37Å; I334-K338 PolarHBondContact O-N 2.84Å; I334-K338 VanDerWaalsContact O-N 3.08Å
335	R	92	Very high	91.6	Very high	186 Å²	186	107.6 Å²	107.6	70%	0.702	48%	0.479	S	S	*	.	H	α-helix	trans	-67.4	-37.1	173.7	-177.5	176.6	-178.7	155.7	1.6	111.7	K331 K332 F333 L339	K331-R335 WeakPolarHBondContact O-CB 3.33Å; K331-R335 PolarHBondContact O-N 3.41Å; K332-R335 WeakPolarHBondContact O-CB 3.35Å; K332-R335 PolarHBondContact O-N 3.2Å; K332-R335 VanDerWaalsContact O-N 3.15Å; F333-R335 VanDerWaalsContact C-N 3.29Å; F333-R335 PolarHBondContact O-N 2.99Å; R335-L339 HydrophobicContact CG-CD1 4.17Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 VanDerWaalsContact O-CG 3.27Å; R335-L339 WeakPolarHBondContact O-CG 3.41Å; R335-L339 PolarHBondContact O-N 3.38Å
336	E	92.7	Very high	91.7	Very high	110 Å²	110	104.9 Å²	104.9	51%	0.514	47%	0.473	S	S	.	.	H	α-helix	trans	-70.9	-45.5	178.5	-157.6	165.9	153.3	0	0	111.4	K332 F333 K338 L339 R340	K332-E336 WeakPolarHBondContact CE-OE2 3.31Å; K332-E336 IonicContact NZ-OE2 2.76Å; K332-E336 WeakPolarHBondContact O-CB 3.5Å; K332-E336 PolarHBondContact O-N 3.26Å; F333-E336 WeakPolarHBondContact O-CB 3.36Å; F333-E336 PolarHBondContact O-N 2.89Å; F333-E336 VanDerWaalsContact O-N 3.09Å; E336-K338 PolarHBondContact O-N 3.33Å; E336-L339 PolarHBondContact O-N 3.44Å; E336-R340 WeakPolarHBondContact O-CB 3.41Å; E336-R340 PolarHBondContact O-N 2.98Å
337	K	90.3	Very high	92	Very high	81 Å²	81	107.3 Å²	107.3	35%	0.352	48%	0.482	S	S	.	.	H	α-helix	trans	-51.3	-53.8	169.2	175.7	174.2	172.1	-177.5	0	110.5	E190 F333 L339 R340 E341	E190-K337 IonicContact OE1-NZ 2.71Å; E190-K337 PolarHBondContact OE1-NZ 3.2Å; E190-K337 VanDerWaalsContact OE1-NZ 3.09Å; F333-K337 WeakPolarHBondContact O-CB 3.21Å; F333-K337 PolarHBondContact O-N 3.25Å; K337-L339 PolarHBondContact O-N 3.43Å; K337-R340 WeakPolarHBondContact O-CB 3.43Å; K337-R340 PolarHBondContact O-N 3.3Å; K337-R340 VanDerWaalsContact O-N 3.12Å; K337-E341 WeakPolarHBondContact CE-OE1 3.46Å; K337-E341 HydrophobicContact CG-CG 4.4Å; K337-E341 WeakPolarHBondContact CG-OE1 3.23Å; K337-E341 VanDerWaalsContact O-CG 3.29Å; K337-E341 WeakPolarHBondContact O-CG 3.44Å; K337-E341 PolarHBondContact O-N 2.86Å
338	K	91.2	Very high	92.3	Very high	137 Å²	137	110.6 Å²	110.6	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-65.9	-32.3	-179.8	-71.1	-175.3	178.2	-166.3	0	114.9	I334 E336 E341 K342	I334-K338 HydrophobicContact CG2-CD 4.4Å; I334-K338 WeakPolarHBondContact O-CB 3.5Å; I334-K338 WeakPolarHBondContact O-CG 3.37Å; I334-K338 PolarHBondContact O-N 2.84Å; I334-K338 VanDerWaalsContact O-N 3.08Å; E336-K338 PolarHBondContact O-N 3.33Å; K338-E341 WeakPolarHBondContact CA-OE2 3.48Å; K338-K342 WeakPolarHBondContact O-CB 3.3Å; K338-K342 PolarHBondContact O-N 2.96Å
339	L	94.9	Very high	92.5	Very high	107 Å²	107	108.4 Å²	108.4	56%	0.56	48%	0.48	S	S	*	.	H	α-helix	trans	-70.3	-37.4	172.6	-77	169	0	0	0	111.5	R335 E336 K337 A343	R335-L339 HydrophobicContact CG-CD1 4.17Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 VanDerWaalsContact O-CG 3.27Å; R335-L339 WeakPolarHBondContact O-CG 3.41Å; R335-L339 PolarHBondContact O-N 3.38Å; E336-L339 PolarHBondContact O-N 3.44Å; K337-L339 PolarHBondContact O-N 3.43Å; L339-A343 WeakPolarHBondContact O-CB 3.39Å; L339-A343 PolarHBondContact O-N 2.91Å
340	R	94.1	Very high	92.8	Very high	163 Å²	163	109.8 Å²	109.8	62%	0.615	49%	0.489	S	S	*	.	H	α-helix	trans	-67.6	-51.1	176	-176.5	-179.3	178.5	118.2	12.5	112	E336 K337 K342 A343 E344	E336-R340 WeakPolarHBondContact O-CB 3.41Å; E336-R340 PolarHBondContact O-N 2.98Å; K337-R340 WeakPolarHBondContact O-CB 3.43Å; K337-R340 PolarHBondContact O-N 3.3Å; K337-R340 VanDerWaalsContact O-N 3.12Å; R340-K342 VanDerWaalsContact C-N 3.25Å; R340-K342 PolarHBondContact O-N 3.46Å; R340-A343 PolarHBondContact O-N 3.36Å; R340-E344 HydrophobicContact CG-CG 4.33Å; R340-E344 IonicContact CZ-OE1 3.14Å; R340-E344 IonicContact NE-OE1 3.24Å; R340-E344 PolarHBondContact NE-OE1 3.49Å; R340-E344 IonicContact NE-OE2 2.62Å; R340-E344 PolarHBondContact NE-OE2 2.63Å; R340-E344 IonicContact NH2-OE1 3.39Å; R340-E344 PolarHBondContact NH2-OE1 2.62Å; R340-E344 WeakPolarHBondContact O-CG 3.29Å; R340-E344 PolarHBondContact O-N 3.35Å
341	E	91.5	Very high	93.2	Very high	89 Å²	89	112.8 Å²	112.8	42%	0.416	51%	0.506	S	S	.	.	H	α-helix	trans	-52.3	-45.9	176	-71	162.8	167.6	0	0	110.9	K337 K338 E344 H345	K337-E341 WeakPolarHBondContact CE-OE1 3.46Å; K337-E341 HydrophobicContact CG-CG 4.4Å; K337-E341 WeakPolarHBondContact CG-OE1 3.23Å; K337-E341 VanDerWaalsContact O-CG 3.29Å; K337-E341 WeakPolarHBondContact O-CG 3.44Å; K337-E341 PolarHBondContact O-N 2.86Å; K338-E341 WeakPolarHBondContact CA-OE2 3.48Å; E341-E344 PolarHBondContact O-N 3.48Å; E341-H345 WeakPolarHBondContact O-CB 3.45Å; E341-H345 PolarHBondContact O-N 3.34Å
342	K	94.9	Very high	93.5	Very high	114 Å²	114	110.8 Å²	110.8	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-46.6	174.7	178.2	170.5	-175.3	-76.8	0	112.5	K338 R340 E344 H345 E346	K338-K342 WeakPolarHBondContact O-CB 3.3Å; K338-K342 PolarHBondContact O-N 2.96Å; R340-K342 VanDerWaalsContact C-N 3.25Å; R340-K342 PolarHBondContact O-N 3.46Å; K342-E344 VanDerWaalsContact C-N 3.33Å; K342-E344 PolarHBondContact O-N 3.11Å; K342-H345 PolarHBondContact O-N 3.45Å; K342-E346 WeakPolarHBondContact CE-OE1 3.32Å; K342-E346 HydrophobicContact CG-CG 4.41Å; K342-E346 IonicContact NZ-OE1 2.78Å; K342-E346 PolarHBondContact NZ-OE1 3.04Å; K342-E346 IonicContact NZ-OE2 2.81Å; K342-E346 PolarHBondContact NZ-OE2 3.33Å; K342-E346 WeakPolarHBondContact O-CB 3.35Å; K342-E346 WeakPolarHBondContact O-CG 3.45Å; K342-E346 PolarHBondContact O-N 3Å
343	A	95.3	Very high	93.7	Very high	53 Å²	53	107 Å²	107	44%	0.438	49%	0.488	S	S	.	.	H	α-helix	trans	-67.1	-33.2	-179.6	0	0	0	0	0	112.8	L339 R340 R347	L339-A343 WeakPolarHBondContact O-CB 3.39Å; L339-A343 PolarHBondContact O-N 2.91Å; R340-A343 PolarHBondContact O-N 3.36Å; A343-R347 WeakPolarHBondContact O-CB 3.45Å; A343-R347 PolarHBondContact O-N 2.91Å
344	E	93.9	Very high	93.9	Very high	64 Å²	64	105.8 Å²	105.8	30%	0.299	49%	0.486	S	S	.	.	H	α-helix	trans	-72	-36.7	175.4	-71.8	175.6	151.6	0	0	111.5	R340 E341 K342 Y348	R340-E344 HydrophobicContact CG-CG 4.33Å; R340-E344 IonicContact CZ-OE1 3.14Å; R340-E344 IonicContact NE-OE1 3.24Å; R340-E344 PolarHBondContact NE-OE1 3.49Å; R340-E344 IonicContact NE-OE2 2.62Å; R340-E344 PolarHBondContact NE-OE2 2.63Å; R340-E344 IonicContact NH2-OE1 3.39Å; R340-E344 PolarHBondContact NH2-OE1 2.62Å; R340-E344 WeakPolarHBondContact O-CG 3.29Å; R340-E344 PolarHBondContact O-N 3.35Å; E341-E344 PolarHBondContact O-N 3.48Å; K342-E344 VanDerWaalsContact C-N 3.33Å; K342-E344 PolarHBondContact O-N 3.11Å; E344-Y348 WeakPolarHBondContact O-CB 3.35Å; E344-Y348 PolarHBondContact O-N 3.1Å
345	H	94.7	Very high	94.3	Very high	115 Å²	115	109 Å²	109	53%	0.532	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-44.4	170.4	-178.8	55.2	0	0	0	112.9	E341 K342 R347 Y348 E349	E341-H345 WeakPolarHBondContact O-CB 3.45Å; E341-H345 PolarHBondContact O-N 3.34Å; K342-H345 PolarHBondContact O-N 3.45Å; H345-R347 VanDerWaalsContact C-N 3.3Å; H345-R347 PolarHBondContact O-N 2.86Å; H345-Y348 PolarHBondContact O-N 3.28Å; H345-E349 PolarHBondContact O-N 3.22Å
346	E	95.7	Very high	94.4	Very high	94 Å²	94	105.9 Å²	105.9	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-37.4	175	-76.4	178.9	144.5	0	0	111.7	K342 L350	K342-E346 WeakPolarHBondContact CE-OE1 3.32Å; K342-E346 HydrophobicContact CG-CG 4.41Å; K342-E346 IonicContact NZ-OE1 2.78Å; K342-E346 PolarHBondContact NZ-OE1 3.04Å; K342-E346 IonicContact NZ-OE2 2.81Å; K342-E346 PolarHBondContact NZ-OE2 3.33Å; K342-E346 WeakPolarHBondContact O-CB 3.35Å; K342-E346 WeakPolarHBondContact O-CG 3.45Å; K342-E346 PolarHBondContact O-N 3Å; E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.27Å; E346-L350 PolarHBondContact O-N 2.8Å; E346-L350 VanDerWaalsContact O-N 3.11Å
347	R	95.6	Very high	94.5	Very high	144 Å²	144	105.3 Å²	105.3	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-45.8	171.9	-171.4	-172.3	73.8	-138.1	-4.6	111.8	A343 H345 L350 E351	A343-R347 WeakPolarHBondContact O-CB 3.45Å; A343-R347 PolarHBondContact O-N 2.91Å; H345-R347 VanDerWaalsContact C-N 3.3Å; H345-R347 PolarHBondContact O-N 2.86Å; R347-L350 PolarHBondContact O-N 3.45Å; R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 2.92Å
348	Y	94.7	Very high	94.8	Very high	134 Å²	134	106.9 Å²	106.9	53%	0.525	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-45.6	-179.3	171.5	-98.5	0	0	0	112.5	E344 H345 E351 K352	E344-Y348 WeakPolarHBondContact O-CB 3.35Å; E344-Y348 PolarHBondContact O-N 3.1Å; H345-Y348 PolarHBondContact O-N 3.28Å; Y348-E351 PolarHBondContact O-N 2.99Å; Y348-K352 HydrophobicContact CE1-CD 4.11Å; Y348-K352 VanDerWaalsContact O-CB 3.26Å; Y348-K352 WeakPolarHBondContact O-CB 3.42Å; Y348-K352 PolarHBondContact O-N 3.46Å
349	E	95.8	Very high	94.9	Very high	74 Å²	74	103.1 Å²	103.1	35%	0.346	49%	0.488	S	S	.	.	H	α-helix	trans	-69.4	-32	176.8	-70	-62.5	136.7	0	0	112.5	H345 K352 S353	H345-E349 PolarHBondContact O-N 3.22Å; E349-K352 IonicContact OE1-NZ 3.64Å; E349-K352 PolarHBondContact OE1-NZ 3.39Å; E349-K352 IonicContact OE2-NZ 2.71Å; E349-K352 PolarHBondContact OE2-NZ 3.1Å; E349-S353 WeakPolarHBondContact O-CB 3.46Å; E349-S353 PolarHBondContact O-N 3.49Å
350	L	95.8	Very high	95	Very high	115 Å²	115	103.1 Å²	103.1	60%	0.602	49%	0.485	S	S	*	.	H	α-helix	trans	-66.3	-43.6	170.8	-78	170	0	0	0	112.5	E346 R347 S353 M354	E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.27Å; E346-L350 PolarHBondContact O-N 2.8Å; E346-L350 VanDerWaalsContact O-N 3.11Å; R347-L350 PolarHBondContact O-N 3.45Å; L350-S353 PolarHBondContact O-N 2.92Å; L350-M354 WeakPolarHBondContact O-CB 3.29Å; L350-M354 WeakPolarHBondContact O-CG 3.39Å; L350-M354 PolarHBondContact O-N 2.86Å
351	E	95.4	Very high	95	Very high	122 Å²	122	101.2 Å²	101.2	57%	0.57	48%	0.484	S	S	*	.	H	α-helix	trans	-62.1	-47.2	179.1	-177.3	167.3	-162.5	0	0	111.3	R347 Y348 S353 M354 E355	R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 2.92Å; Y348-E351 PolarHBondContact O-N 2.99Å; E351-S353 PolarHBondContact O-N 3.22Å; E351-M354 WeakPolarHBondContact O-CB 3.22Å; E351-M354 PolarHBondContact O-N 3.1Å; E351-E355 PolarHBondContact O-N 3.48Å
352	K	96	Very high	95.2	Very high	96 Å²	96	104.2 Å²	104.2	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-61.6	-38.3	173	176.1	178.9	160.6	-143.4	0	113.2	Y348 E349 H356	Y348-K352 HydrophobicContact CE1-CD 4.11Å; Y348-K352 VanDerWaalsContact O-CB 3.26Å; Y348-K352 WeakPolarHBondContact O-CB 3.42Å; Y348-K352 PolarHBondContact O-N 3.46Å; E349-K352 IonicContact OE1-NZ 3.64Å; E349-K352 PolarHBondContact OE1-NZ 3.39Å; E349-K352 IonicContact OE2-NZ 2.71Å; E349-K352 PolarHBondContact OE2-NZ 3.1Å; K352-H356 PolarHBondContact O-N 3.47Å; K352-H356 VanDerWaalsContact O-N 3.08Å
353	S	96	Very high	95.3	Very high	59 Å²	59	105.4 Å²	105.4	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-68.3	-39.8	173.6	-174.1	0	0	0	0	112.1	E349 L350 E351 H356 L357	E349-S353 WeakPolarHBondContact O-CB 3.46Å; E349-S353 PolarHBondContact O-N 3.49Å; L350-S353 PolarHBondContact O-N 2.92Å; E351-S353 PolarHBondContact O-N 3.22Å; S353-H356 PolarHBondContact O-N 2.83Å; S353-L357 WeakPolarHBondContact O-CG 3.23Å; S353-L357 PolarHBondContact O-N 2.95Å
354	M	93.8	Very high	95.3	Very high	113 Å²	113	105.6 Å²	105.6	56%	0.557	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-41.2	173.5	-76	-179.9	61.8	0	0	112.2	L350 E351 H356 L357 Q358	L350-M354 WeakPolarHBondContact O-CB 3.29Å; L350-M354 WeakPolarHBondContact O-CG 3.39Å; L350-M354 PolarHBondContact O-N 2.86Å; E351-M354 WeakPolarHBondContact O-CB 3.22Å; E351-M354 PolarHBondContact O-N 3.1Å; M354-H356 VanDerWaalsContact C-N 3.34Å; M354-L357 PolarHBondContact O-N 3.03Å; M354-Q358 WeakPolarHBondContact O-CB 3.46Å; M354-Q358 VanDerWaalsContact O-CG 3.25Å; M354-Q358 WeakPolarHBondContact O-CG 3.19Å; M354-Q358 PolarHBondContact O-N 2.98Å
355	E	95.9	Very high	95.3	Very high	120 Å²	120	106.8 Å²	106.8	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-60.2	-44.5	173.6	-175.8	-176.8	-169	0	0	111.2	E351 Q358 N359	E351-E355 PolarHBondContact O-N 3.48Å; E355-Q358 PolarHBondContact O-N 3.28Å; E355-N359 WeakPolarHBondContact O-CB 3.32Å; E355-N359 PolarHBondContact O-N 3.18Å; E355-N359 PolarHBondContact O-ND2 3.32Å
356	H	94.6	Very high	95.4	Very high	119 Å²	119	103.9 Å²	103.9	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-59	-52.2	176.7	-171	65.1	0	0	0	111.7	K352 S353 M354 Q358 N359 E360	K352-H356 PolarHBondContact O-N 3.47Å; K352-H356 VanDerWaalsContact O-N 3.08Å; S353-H356 PolarHBondContact O-N 2.83Å; M354-H356 VanDerWaalsContact C-N 3.34Å; H356-Q358 VanDerWaalsContact C-N 3.34Å; H356-Q358 PolarHBondContact O-N 2.62Å; H356-N359 PolarHBondContact O-N 3.29Å; H356-N359 VanDerWaalsContact O-N 3.11Å; H356-E360 PolarHBondContact O-N 3.41Å
357	L	95.3	Very high	95.4	Very high	99 Å²	99	101.9 Å²	101.9	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-36.3	178.4	-72.1	169.8	0	0	0	113	S353 M354 N359 M361	S353-L357 WeakPolarHBondContact O-CG 3.23Å; S353-L357 PolarHBondContact O-N 2.95Å; M354-L357 PolarHBondContact O-N 3.03Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-M361 VanDerWaalsContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.25Å; L357-M361 PolarHBondContact O-N 3.29Å
358	Q	95.3	Very high	95.4	Very high	114 Å²	114	99.4 Å²	99.4	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-37.3	173.8	-77	178.6	21.1	0	0	111.9	M354 E355 H356 R362	M354-Q358 WeakPolarHBondContact O-CB 3.46Å; M354-Q358 VanDerWaalsContact O-CG 3.25Å; M354-Q358 WeakPolarHBondContact O-CG 3.19Å; M354-Q358 PolarHBondContact O-N 2.98Å; E355-Q358 PolarHBondContact O-N 3.28Å; H356-Q358 VanDerWaalsContact C-N 3.34Å; H356-Q358 PolarHBondContact O-N 2.62Å; Q358-R362 VanDerWaalsContact O-CB 3.32Å; Q358-R362 WeakPolarHBondContact O-CB 3.11Å; Q358-R362 PolarHBondContact O-N 2.78Å
359	N	94.9	Very high	95.4	Very high	58 Å²	58	98.8 Å²	98.8	31%	0.31	49%	0.493	S	S	.	.	H	α-helix	trans	-73.3	-38.9	176.7	-72.7	-35.3	0	0	0	112.1	E355 H356 L357 R362 M363	E355-N359 WeakPolarHBondContact O-CB 3.32Å; E355-N359 PolarHBondContact O-N 3.18Å; E355-N359 PolarHBondContact O-ND2 3.32Å; H356-N359 PolarHBondContact O-N 3.29Å; H356-N359 VanDerWaalsContact O-N 3.11Å; L357-N359 VanDerWaalsContact C-N 3.33Å; N359-R362 WeakPolarHBondContact O-CB 3.49Å; N359-R362 PolarHBondContact O-N 2.81Å; N359-R362 PolarHBondContact OD1-NE 3.1Å; N359-R362 PolarHBondContact OD1-NH2 3.46Å; N359-R362 VanDerWaalsContact OD1-NH2 3.08Å; N359-M363 WeakPolarHBondContact O-CG 3.36Å; N359-M363 PolarHBondContact O-N 3.23Å
360	E	95.3	Very high	95.3	Very high	106 Å²	106	101.3 Å²	101.3	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-47.6	169.3	-71.4	-161.9	111.3	0	0	111.8	H356 R362 M363 A364	H356-E360 PolarHBondContact O-N 3.41Å; E360-R362 VanDerWaalsContact C-N 3.3Å; E360-R362 PolarHBondContact O-N 2.85Å; E360-M363 PolarHBondContact O-N 2.91Å; E360-A364 WeakPolarHBondContact O-CB 3.38Å; E360-A364 PolarHBondContact O-N 2.86Å
361	M	94.8	Very high	95.2	Very high	123 Å²	123	99.3 Å²	99.3	61%	0.606	49%	0.494	S	S	*	.	H	α-helix	trans	-61.6	-38.1	177.4	-173.4	-178.4	-176.5	0	0	112	L357 A364 N365	L357-M361 VanDerWaalsContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.25Å; L357-M361 PolarHBondContact O-N 3.29Å; M361-A364 PolarHBondContact O-N 2.87Å; M361-N365 WeakPolarHBondContact O-CB 3.49Å; M361-N365 VanDerWaalsContact O-CG 3.29Å; M361-N365 PolarHBondContact O-N 2.93Å; M361-N365 PolarHBondContact O-ND2 3.44Å
362	R	96.1	Very high	95.2	Very high	152 Å²	152	98 Å²	98	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-62.2	-48.2	173.7	-165.7	-165.9	-45.9	-122.5	5.7	111	Q358 N359 E360 A364 N365 D366	Q358-R362 VanDerWaalsContact O-CB 3.32Å; Q358-R362 WeakPolarHBondContact O-CB 3.11Å; Q358-R362 PolarHBondContact O-N 2.78Å; N359-R362 WeakPolarHBondContact O-CB 3.49Å; N359-R362 PolarHBondContact O-N 2.81Å; N359-R362 PolarHBondContact OD1-NE 3.1Å; N359-R362 PolarHBondContact OD1-NH2 3.46Å; N359-R362 VanDerWaalsContact OD1-NH2 3.08Å; E360-R362 VanDerWaalsContact C-N 3.3Å; E360-R362 PolarHBondContact O-N 2.85Å; R362-A364 VanDerWaalsContact C-N 3.35Å; R362-A364 PolarHBondContact O-N 3.26Å; R362-N365 PolarHBondContact O-N 3.29Å; R362-D366 WeakPolarHBondContact O-CB 3.43Å; R362-D366 PolarHBondContact O-N 3.41Å
363	M	95.7	Very high	95.1	Very high	140 Å²	140	97.6 Å²	97.6	69%	0.69	49%	0.488	S	S	*	.	H	α-helix	trans	-62.6	-40	177.2	-72.7	178	63.8	0	0	112.2	N359 E360 A367	N359-M363 WeakPolarHBondContact O-CG 3.36Å; N359-M363 PolarHBondContact O-N 3.23Å; E360-M363 PolarHBondContact O-N 2.91Å; M363-A367 VanDerWaalsContact O-CB 3.27Å; M363-A367 WeakPolarHBondContact O-CB 3.32Å; M363-A367 PolarHBondContact O-N 2.71Å
364	A	95.7	Very high	95	Very high	57 Å²	57	98.2 Å²	98.2	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-44.3	176.4	0	0	0	0	0	112.2	E360 M361 R362 A367 L368	E360-A364 WeakPolarHBondContact O-CB 3.38Å; E360-A364 PolarHBondContact O-N 2.86Å; M361-A364 PolarHBondContact O-N 2.87Å; R362-A364 VanDerWaalsContact C-N 3.35Å; R362-A364 PolarHBondContact O-N 3.26Å; A364-A367 PolarHBondContact O-N 2.79Å; A364-L368 WeakPolarHBondContact O-CB 3.36Å; A364-L368 PolarHBondContact O-N 2.94Å
365	N	95.1	Very high	94.9	Very high	88 Å²	88	98.9 Å²	98.9	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-42.9	175.7	-76	-21.8	0	0	0	112	M361 R362 A367 L368 R369	M361-N365 WeakPolarHBondContact O-CB 3.49Å; M361-N365 VanDerWaalsContact O-CG 3.29Å; M361-N365 PolarHBondContact O-N 2.93Å; M361-N365 PolarHBondContact O-ND2 3.44Å; R362-N365 PolarHBondContact O-N 3.29Å; N365-A367 VanDerWaalsContact C-N 3.32Å; N365-A367 PolarHBondContact O-N 2.76Å; N365-L368 PolarHBondContact O-N 2.84Å; N365-R369 WeakPolarHBondContact O-CB 3.33Å; N365-R369 PolarHBondContact O-N 3.48Å
366	D	95.5	Very high	94.8	Very high	54 Å²	54	99.7 Å²	99.7	29%	0.289	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-33.6	174.1	-97.7	-23.2	0	0	0	112.1	R362 R369 R370	R362-D366 WeakPolarHBondContact O-CB 3.43Å; R362-D366 PolarHBondContact O-N 3.41Å; D366-R369 IonicContact OD1-CZ 2.8Å; D366-R369 IonicContact OD1-NH1 3.18Å; D366-R369 PolarHBondContact OD1-NH1 2.91Å; D366-R370 VanDerWaalsContact O-CG 3.29Å; D366-R370 WeakPolarHBondContact O-CG 3.34Å; D366-R370 PolarHBondContact O-N 3.08Å; D366-R370 VanDerWaalsContact O-N 3.14Å; D366-R370 PolarHBondContact O-NH1 2.83Å; D366-R370 IonicContact OD2-NH2 2.65Å
367	A	95.8	Very high	94.7	Very high	53 Å²	53	99.5 Å²	99.5	44%	0.438	50%	0.495	S	S	.	.	H	α-helix	trans	-70.4	-41.9	174.3	0	0	0	0	0	111.9	M363 A364 N365 R370 S371	M363-A367 VanDerWaalsContact O-CB 3.27Å; M363-A367 WeakPolarHBondContact O-CB 3.32Å; M363-A367 PolarHBondContact O-N 2.71Å; A364-A367 PolarHBondContact O-N 2.79Å; N365-A367 VanDerWaalsContact C-N 3.32Å; N365-A367 PolarHBondContact O-N 2.76Å; A367-R370 PolarHBondContact O-N 2.97Å; A367-S371 WeakPolarHBondContact O-CB 3.37Å; A367-S371 PolarHBondContact O-N 2.85Å
368	L	95.6	Very high	94.6	Very high	92 Å²	92	102.1 Å²	102.1	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-60.2	-50.6	173.4	177.7	59.8	0	0	0	110.7	A364 N365 R370 S371 E372	A364-L368 WeakPolarHBondContact O-CB 3.36Å; A364-L368 PolarHBondContact O-N 2.94Å; N365-L368 PolarHBondContact O-N 2.84Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 3.06Å; L368-S371 CarbonylContact O-C 3.55Å; L368-S371 WeakPolarHBondContact O-CA 3.46Å; L368-S371 VanDerWaalsContact O-CB 3.27Å; L368-S371 WeakPolarHBondContact O-CB 3.5Å; L368-S371 PolarHBondContact O-N 2.89Å; L368-E372 HydrophobicContact CD1-CG 4.17Å; L368-E372 HydrophobicContact CG-CG 4.48Å; L368-E372 WeakPolarHBondContact O-CG 3.3Å; L368-E372 PolarHBondContact O-N 3.09Å
369	R	94.9	Very high	94.4	Very high	121 Å²	121	103.6 Å²	103.6	46%	0.457	50%	0.504	S	S	.	.	H	α-helix	trans	-59.1	-44	179.9	-156.2	-170.6	78.3	-115.6	-8.6	111.9	N365 D366 S371 E372 E373	N365-R369 WeakPolarHBondContact O-CB 3.33Å; N365-R369 PolarHBondContact O-N 3.48Å; D366-R369 IonicContact OD1-CZ 2.8Å; D366-R369 IonicContact OD1-NH1 3.18Å; D366-R369 PolarHBondContact OD1-NH1 2.91Å; R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 3.02Å; R369-E372 PolarHBondContact O-N 3.36Å; R369-E373 IonicContact CZ-OE1 2.81Å; R369-E373 IonicContact NE-OE1 3.72Å; R369-E373 PolarHBondContact NE-OE1 3.01Å; R369-E373 IonicContact NH2-OE1 2.63Å; R369-E373 PolarHBondContact NH2-OE1 3.1Å; R369-E373 VanDerWaalsContact NH2-OE1 3.16Å; R369-E373 WeakPolarHBondContact O-CB 3.39Å; R369-E373 WeakPolarHBondContact O-CG 3.44Å; R369-E373 PolarHBondContact O-N 3.41Å
370	R	94.7	Very high	94.3	Very high	127 Å²	127	105 Å²	105	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-34.7	173.3	-71.5	-178.8	-152.8	97.7	-1.6	112.7	D366 A367 L368 T374	D366-R370 VanDerWaalsContact O-CG 3.29Å; D366-R370 WeakPolarHBondContact O-CG 3.34Å; D366-R370 PolarHBondContact O-N 3.08Å; D366-R370 VanDerWaalsContact O-N 3.14Å; D366-R370 PolarHBondContact O-NH1 2.83Å; D366-R370 IonicContact OD2-NH2 2.65Å; A367-R370 PolarHBondContact O-N 2.97Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 3.06Å; R370-T374 WeakPolarHBondContact O-CB 3.48Å; R370-T374 PolarHBondContact O-N 3.37Å; R370-T374 PolarHBondContact O-OG1 3.27Å
371	S	93.4	Very high	94.3	Very high	72 Å²	72	106.6 Å²	106.6	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-70.1	-36.5	175.8	-166.9	0	0	0	0	112	A367 L368 R369 K375	A367-S371 WeakPolarHBondContact O-CB 3.37Å; A367-S371 PolarHBondContact O-N 2.85Å; L368-S371 CarbonylContact O-C 3.55Å; L368-S371 WeakPolarHBondContact O-CA 3.46Å; L368-S371 VanDerWaalsContact O-CB 3.27Å; L368-S371 WeakPolarHBondContact O-CB 3.5Å; L368-S371 PolarHBondContact O-N 2.89Å; R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 3.02Å; S371-K375 WeakPolarHBondContact O-CB 3.42Å; S371-K375 PolarHBondContact O-N 3.13Å
372	E	94.4	Very high	94.2	Very high	94 Å²	94	104.2 Å²	104.2	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-69.9	-50.6	174.5	-69	175.5	144.6	0	0	111.3	L368 R369 T374 K375 E376	L368-E372 HydrophobicContact CD1-CG 4.17Å; L368-E372 HydrophobicContact CG-CG 4.48Å; L368-E372 WeakPolarHBondContact O-CG 3.3Å; L368-E372 PolarHBondContact O-N 3.09Å; R369-E372 PolarHBondContact O-N 3.36Å; E372-T374 PolarHBondContact O-N 2.99Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.36Å; E372-K375 VanDerWaalsContact O-N 3.07Å; E372-E376 WeakPolarHBondContact O-CG 3.49Å; E372-E376 PolarHBondContact O-N 3.35Å
373	E	94	Very high	94.1	Very high	89 Å²	89	102.7 Å²	102.7	42%	0.416	50%	0.504	S	S	.	.	H	α-helix	trans	-50.2	-45	170.6	-71	163.5	-174.2	0	0	111.2	R369 L377	R369-E373 IonicContact CZ-OE1 2.81Å; R369-E373 IonicContact NE-OE1 3.72Å; R369-E373 PolarHBondContact NE-OE1 3.01Å; R369-E373 IonicContact NH2-OE1 2.63Å; R369-E373 PolarHBondContact NH2-OE1 3.1Å; R369-E373 VanDerWaalsContact NH2-OE1 3.16Å; R369-E373 WeakPolarHBondContact O-CB 3.39Å; R369-E373 WeakPolarHBondContact O-CG 3.44Å; R369-E373 PolarHBondContact O-N 3.41Å; E373-L377 WeakPolarHBondContact O-CB 3.28Å; E373-L377 PolarHBondContact O-N 2.85Å; E373-L377 VanDerWaalsContact O-N 3.11Å
374	T	93.6	Very high	93.9	Very high	71 Å²	71	98.6 Å²	98.6	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-42.4	177.7	-64.1	0	0	0	0	112.4	R370 E372 L377 Y378	R370-T374 WeakPolarHBondContact O-CB 3.48Å; R370-T374 PolarHBondContact O-N 3.37Å; R370-T374 PolarHBondContact O-OG1 3.27Å; E372-T374 PolarHBondContact O-N 2.99Å; T374-L377 PolarHBondContact O-N 2.96Å; T374-Y378 HydrophobicContact CG2-CD2 3.74Å; T374-Y378 HydrophobicContact CG2-CE2 3.49Å; T374-Y378 VanDerWaalsContact CG2-CE2 3.49Å; T374-Y378 WeakPolarHBondContact O-CD2 3.36Å; T374-Y378 PolarHBondContact O-N 2.94Å
375	K	92.7	Very high	93.7	Very high	127 Å²	127	100.9 Å²	100.9	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-64	-46.1	178.7	173.4	-173.5	170.1	-163.7	0	110.9	S371 E372 L377 Y378 F379	S371-K375 WeakPolarHBondContact O-CB 3.42Å; S371-K375 PolarHBondContact O-N 3.13Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.36Å; E372-K375 VanDerWaalsContact O-N 3.07Å; K375-L377 VanDerWaalsContact C-N 3.35Å; K375-Y378 PolarHBondContact O-N 3.2Å; K375-F379 HydrophobicContact CG-CD2 3.92Å; K375-F379 HydrophobicContact CG-CE2 3.88Å; K375-F379 WeakPolarHBondContact O-CD2 3.33Å; K375-F379 PolarHBondContact O-N 2.91Å
376	E	93.3	Very high	93.6	Very high	138 Å²	138	101.3 Å²	101.3	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-60.4	-44.4	175.6	-71.2	-175.2	169	0	0	111.3	E372 Y378 F379 E380	E372-E376 WeakPolarHBondContact O-CG 3.49Å; E372-E376 PolarHBondContact O-N 3.35Å; E376-Y378 VanDerWaalsContact C-N 3.3Å; E376-Y378 PolarHBondContact O-N 3.12Å; E376-F379 PolarHBondContact O-N 3.44Å; E376-F379 VanDerWaalsContact O-N 3.14Å; E376-E380 WeakPolarHBondContact O-CB 2.96Å; E376-E380 PolarHBondContact O-N 3.22Å
377	L	93.3	Very high	93.5	Very high	115 Å²	115	103.3 Å²	103.3	60%	0.602	50%	0.498	S	S	*	.	H	α-helix	trans	-60.6	-38	175.6	-167.2	155.1	0	0	0	112	E373 T374 K375 K381	E373-L377 WeakPolarHBondContact O-CB 3.28Å; E373-L377 PolarHBondContact O-N 2.85Å; E373-L377 VanDerWaalsContact O-N 3.11Å; T374-L377 PolarHBondContact O-N 2.96Å; K375-L377 VanDerWaalsContact C-N 3.35Å; L377-K381 WeakPolarHBondContact O-CB 3.49Å; L377-K381 PolarHBondContact O-N 3Å
378	Y	92.5	Very high	93.2	Very high	154 Å²	154	106.4 Å²	106.4	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-68.3	-40.2	172.5	-81.3	-61	0	0	0	113.4	T374 K375 E376 K381 S382	T374-Y378 HydrophobicContact CG2-CD2 3.74Å; T374-Y378 HydrophobicContact CG2-CE2 3.49Å; T374-Y378 VanDerWaalsContact CG2-CE2 3.49Å; T374-Y378 WeakPolarHBondContact O-CD2 3.36Å; T374-Y378 PolarHBondContact O-N 2.94Å; K375-Y378 PolarHBondContact O-N 3.2Å; E376-Y378 VanDerWaalsContact C-N 3.3Å; E376-Y378 PolarHBondContact O-N 3.12Å; Y378-K381 PolarHBondContact O-N 3.11Å; Y378-S382 WeakPolarHBondContact O-CB 3.44Å; Y378-S382 PolarHBondContact O-N 3.11Å
379	F	92.1	Very high	93.1	Very high	145 Å²	145	107.2 Å²	107.2	64%	0.636	51%	0.506	S	S	*	.	H	α-helix	trans	-63.6	-46.3	175.2	-89.9	-74.4	0	0	0	111.7	K375 E376 S382 R383	K375-F379 HydrophobicContact CG-CD2 3.92Å; K375-F379 HydrophobicContact CG-CE2 3.88Å; K375-F379 WeakPolarHBondContact O-CD2 3.33Å; K375-F379 PolarHBondContact O-N 2.91Å; E376-F379 PolarHBondContact O-N 3.44Å; E376-F379 VanDerWaalsContact O-N 3.14Å; F379-S382 WeakPolarHBondContact O-CB 3.39Å; F379-S382 PolarHBondContact O-N 2.92Å; F379-R383 PolarHBondContact O-N 3.29Å
380	E	92.8	Very high	93	Very high	87 Å²	87	106.4 Å²	106.4	41%	0.407	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177.4	-179.1	60.3	-171.8	0	0	111.4	E376 S382 R383 V384	E376-E380 WeakPolarHBondContact O-CB 2.96Å; E376-E380 PolarHBondContact O-N 3.22Å; E380-S382 VanDerWaalsContact C-N 3.3Å; E380-S382 PolarHBondContact O-N 2.77Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 3.68Å; E380-R383 IonicContact OE1-NE 2.88Å; E380-R383 IonicContact OE1-NH2 3.21Å; E380-R383 PolarHBondContact OE1-NH2 3.48Å; E380-R383 IonicContact OE2-CZ 2.72Å; E380-R383 VanDerWaalsContact OE2-CZ 3.24Å; E380-R383 IonicContact OE2-NE 3.49Å; E380-R383 PolarHBondContact OE2-NE 3.15Å; E380-R383 IonicContact OE2-NH2 3.49Å; E380-R383 PolarHBondContact OE2-NH2 2.99Å; E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.01Å
381	K	93.9	Very high	92.9	Very high	140 Å²	140	104.8 Å²	104.8	61%	0.609	51%	0.508	S	S	*	.	H	α-helix	trans	-61.6	-37.7	173.2	-175.4	176.7	-179.6	-179.9	0	112.3	L377 Y378 N385	L377-K381 WeakPolarHBondContact O-CB 3.49Å; L377-K381 PolarHBondContact O-N 3Å; Y378-K381 PolarHBondContact O-N 3.11Å; K381-N385 VanDerWaalsContact O-CB 3.25Å; K381-N385 WeakPolarHBondContact O-CB 3.21Å; K381-N385 PolarHBondContact O-N 2.81Å
382	S	93	Very high	92.8	Very high	72 Å²	72	105.5 Å²	105.5	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-44.4	175	-165.9	0	0	0	0	111.2	Y378 F379 E380 N385 E386	Y378-S382 WeakPolarHBondContact O-CB 3.44Å; Y378-S382 PolarHBondContact O-N 3.11Å; F379-S382 WeakPolarHBondContact O-CB 3.39Å; F379-S382 PolarHBondContact O-N 2.92Å; E380-S382 VanDerWaalsContact C-N 3.3Å; E380-S382 PolarHBondContact O-N 2.77Å; S382-N385 PolarHBondContact O-N 3.16Å; S382-E386 PolarHBondContact O-N 3.28Å
383	R	94.1	Very high	92.7	Very high	120 Å²	120	106.4 Å²	106.4	45%	0.453	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-50.6	176.6	-176.5	175.6	73.3	96.4	-9.2	111.6	F379 E380 N385 E386 E387	F379-R383 PolarHBondContact O-N 3.29Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 3.68Å; E380-R383 IonicContact OE1-NE 2.88Å; E380-R383 IonicContact OE1-NH2 3.21Å; E380-R383 PolarHBondContact OE1-NH2 3.48Å; E380-R383 IonicContact OE2-CZ 2.72Å; E380-R383 VanDerWaalsContact OE2-CZ 3.24Å; E380-R383 IonicContact OE2-NE 3.49Å; E380-R383 PolarHBondContact OE2-NE 3.15Å; E380-R383 IonicContact OE2-NH2 3.49Å; E380-R383 PolarHBondContact OE2-NH2 2.99Å; R383-N385 VanDerWaalsContact C-N 3.28Å; R383-N385 PolarHBondContact O-N 3.37Å; R383-E386 PolarHBondContact O-N 3.23Å; R383-E386 VanDerWaalsContact O-N 3.15Å; R383-E387 HydrophobicContact CG-CG 4.47Å; R383-E387 WeakPolarHBondContact CG-OE1 3.41Å; R383-E387 IonicContact CZ-OE1 3.55Å; R383-E387 IonicContact NE-OE1 3.73Å; R383-E387 IonicContact NH1-OE1 3.03Å; R383-E387 PolarHBondContact NH1-OE1 2.91Å; R383-E387 IonicContact NH1-OE2 3.92Å; R383-E387 WeakPolarHBondContact O-CB 3.35Å; R383-E387 WeakPolarHBondContact O-CG 3.38Å; R383-E387 PolarHBondContact O-N 2.74Å
384	V	92.3	Very high	92.7	Very high	55 Å²	55	106.1 Å²	106.1	33%	0.333	52%	0.52	S	S	.	.	H	α-helix	trans	-61.2	-37.1	177.1	171.5	0	0	0	0	111.6	E380 Q388	E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.01Å; V384-Q388 WeakPolarHBondContact O-CB 3.21Å; V384-Q388 VanDerWaalsContact O-CG 3.28Å; V384-Q388 WeakPolarHBondContact O-CG 3.39Å; V384-Q388 PolarHBondContact O-N 3.19Å
385	N	91.3	Very high	92.6	Very high	104 Å²	104	107.9 Å²	107.9	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-68.5	-38.2	175.3	-175.1	87.8	0	0	0	112.3	K381 S382 R383 M389	K381-N385 VanDerWaalsContact O-CB 3.25Å; K381-N385 WeakPolarHBondContact O-CB 3.21Å; K381-N385 PolarHBondContact O-N 2.81Å; S382-N385 PolarHBondContact O-N 3.16Å; R383-N385 VanDerWaalsContact C-N 3.28Å; R383-N385 PolarHBondContact O-N 3.37Å; N385-M389 WeakPolarHBondContact O-CB 3.46Å; N385-M389 PolarHBondContact O-N 3.34Å
386	E	92.8	Very high	92.6	Very high	98 Å²	98	104.6 Å²	104.6	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-69	-44.6	175.1	-164.2	-175.2	157.2	0	0	111.8	S382 R383 Q388 M389 Q390	S382-E386 PolarHBondContact O-N 3.28Å; R383-E386 PolarHBondContact O-N 3.23Å; R383-E386 VanDerWaalsContact O-N 3.15Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 2.88Å; E386-M389 HydrophobicContact CG-CE 4.4Å; E386-M389 WeakPolarHBondContact O-CB 3.04Å; E386-M389 PolarHBondContact O-N 2.92Å; E386-M389 VanDerWaalsContact O-N 3.1Å; E386-Q390 HydrophobicContact CG-CG 4.47Å; E386-Q390 WeakPolarHBondContact O-CB 3.2Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.36Å; E386-Q390 PolarHBondContact OE1-NE2 2.96Å
387	E	92.9	Very high	92.5	Very high	95 Å²	95	101.5 Å²	101.5	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-58.3	-40.8	173.1	-73.3	175	-166.8	0	0	111.4	R383 L391	R383-E387 HydrophobicContact CG-CG 4.47Å; R383-E387 WeakPolarHBondContact CG-OE1 3.41Å; R383-E387 IonicContact CZ-OE1 3.55Å; R383-E387 IonicContact NE-OE1 3.73Å; R383-E387 IonicContact NH1-OE1 3.03Å; R383-E387 PolarHBondContact NH1-OE1 2.91Å; R383-E387 IonicContact NH1-OE2 3.92Å; R383-E387 WeakPolarHBondContact O-CB 3.35Å; R383-E387 WeakPolarHBondContact O-CG 3.38Å; R383-E387 PolarHBondContact O-N 2.74Å; E387-L391 WeakPolarHBondContact O-CB 3.3Å; E387-L391 PolarHBondContact O-N 2.98Å
388	Q	90.2	Very high	92.4	Very high	119 Å²	119	101.6 Å²	101.6	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-65.7	-42.6	172.6	-76.4	-177.5	27.3	0	0	112.3	V384 E386 L391 T392	V384-Q388 WeakPolarHBondContact O-CB 3.21Å; V384-Q388 VanDerWaalsContact O-CG 3.28Å; V384-Q388 WeakPolarHBondContact O-CG 3.39Å; V384-Q388 PolarHBondContact O-N 3.19Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 2.88Å; Q388-L391 PolarHBondContact O-N 3.3Å; Q388-T392 WeakPolarHBondContact O-CG2 3.12Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 PolarHBondContact O-OG1 3.12Å
389	M	92.1	Very high	92.3	Very high	109 Å²	109	101 Å²	101	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-52.5	176.9	-173.2	174.9	70	0	0	110.9	N385 E386 L391 T392 E393	N385-M389 WeakPolarHBondContact O-CB 3.46Å; N385-M389 PolarHBondContact O-N 3.34Å; E386-M389 HydrophobicContact CG-CE 4.4Å; E386-M389 WeakPolarHBondContact O-CB 3.04Å; E386-M389 PolarHBondContact O-N 2.92Å; E386-M389 VanDerWaalsContact O-N 3.1Å; M389-L391 VanDerWaalsContact C-N 3.3Å; M389-L391 PolarHBondContact O-N 3.36Å; M389-T392 PolarHBondContact O-N 2.81Å; M389-T392 VanDerWaalsContact O-N 3.09Å; M389-T392 PolarHBondContact O-OG1 3.02Å; M389-E393 PolarHBondContact O-N 3.17Å
390	Q	93.4	Very high	92.2	Very high	104 Å²	104	100 Å²	100	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-58.3	-39.5	176.1	-67.6	-179.3	20.2	0	0	111.7	E386 E393 C394	E386-Q390 HydrophobicContact CG-CG 4.47Å; E386-Q390 WeakPolarHBondContact O-CB 3.2Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.36Å; E386-Q390 PolarHBondContact OE1-NE2 2.96Å; Q390-E393 PolarHBondContact O-N 2.62Å; Q390-C394 WeakPolarHBondContact O-CB 3.35Å; Q390-C394 PolarHBondContact O-N 2.95Å
391	L	93.1	Very high	92.2	Very high	93 Å²	93	99.1 Å²	99.1	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-38.3	175.2	-178.4	61.8	0	0	0	112.5	E387 Q388 M389 K395	E387-L391 WeakPolarHBondContact O-CB 3.3Å; E387-L391 PolarHBondContact O-N 2.98Å; Q388-L391 PolarHBondContact O-N 3.3Å; M389-L391 VanDerWaalsContact C-N 3.3Å; M389-L391 PolarHBondContact O-N 3.36Å; L391-K395 HydrophobicContact CG-CD 4.4Å; L391-K395 WeakPolarHBondContact O-CB 3.43Å; L391-K395 WeakPolarHBondContact O-CD 3.38Å; L391-K395 VanDerWaalsContact O-CG 3.25Å; L391-K395 WeakPolarHBondContact O-CG 3.46Å; L391-K395 PolarHBondContact O-N 2.86Å; L391-K395 VanDerWaalsContact O-N 3.09Å
392	T	90.7	Very high	91.9	Very high	87 Å²	87	95.6 Å²	95.6	53%	0.534	49%	0.486	S	S	.	.	H	α-helix	trans	-70.9	-38.4	174.9	55.1	0	0	0	0	112.5	Q388 M389 K395 A396	Q388-T392 WeakPolarHBondContact O-CG2 3.12Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 PolarHBondContact O-OG1 3.12Å; M389-T392 PolarHBondContact O-N 2.81Å; M389-T392 VanDerWaalsContact O-N 3.09Å; M389-T392 PolarHBondContact O-OG1 3.02Å; T392-K395 PolarHBondContact O-N 2.91Å; T392-A396 WeakPolarHBondContact O-CB 3.34Å; T392-A396 PolarHBondContact O-N 2.91Å
393	E	92.5	Very high	91.6	Very high	113 Å²	113	96.9 Å²	96.9	53%	0.528	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-45.6	173.6	177.9	173.5	-169.5	0	0	111.4	M389 Q390 K395 A396 N397	M389-E393 PolarHBondContact O-N 3.17Å; Q390-E393 PolarHBondContact O-N 2.62Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.08Å; E393-A396 PolarHBondContact O-N 3.26Å; E393-A396 VanDerWaalsContact O-N 3.11Å; E393-N397 VanDerWaalsContact CG-ND2 3.34Å; E393-N397 WeakPolarHBondContact CG-ND2 3.19Å; E393-N397 WeakPolarHBondContact O-CB 3.4Å; E393-N397 PolarHBondContact O-N 3.37Å; E393-N397 PolarHBondContact O-ND2 2.75Å; E393-N397 PolarHBondContact OE1-ND2 3.01Å
394	C	93.4	Very high	91.4	Very high	82 Å²	82	93.9 Å²	93.9	55%	0.554	48%	0.478	S	S	*	.	H	α-helix	trans	-57.5	-44.3	176	-177.6	0	0	0	0	111.3	Q390 H398	Q390-C394 WeakPolarHBondContact O-CB 3.35Å; Q390-C394 PolarHBondContact O-N 2.95Å; C394-H398 VanDerWaalsContact O-CB 3.27Å; C394-H398 WeakPolarHBondContact O-CB 3.49Å; C394-H398 PolarHBondContact O-N 3.25Å
395	K	92.6	Very high	91.3	Very high	109 Å²	109	97.3 Å²	97.3	47%	0.474	49%	0.485	S	S	.	.	H	α-helix	trans	-61.8	-45.7	172.7	-73.9	167.6	-178.1	172.3	0	112.1	L391 T392 E393 H398 F399	L391-K395 HydrophobicContact CG-CD 4.4Å; L391-K395 WeakPolarHBondContact O-CB 3.43Å; L391-K395 WeakPolarHBondContact O-CD 3.38Å; L391-K395 VanDerWaalsContact O-CG 3.25Å; L391-K395 WeakPolarHBondContact O-CG 3.46Å; L391-K395 PolarHBondContact O-N 2.86Å; L391-K395 VanDerWaalsContact O-N 3.09Å; T392-K395 PolarHBondContact O-N 2.91Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.08Å; K395-H398 PolarHBondContact O-N 2.93Å; K395-F399 WeakPolarHBondContact O-CD2 3.35Å; K395-F399 PolarHBondContact O-N 2.79Å
396	A	92.1	Very high	91.1	Very high	58 Å²	58	96 Å²	96	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-43.8	179.1	0	0	0	0	0	112.4	T392 E393 F399 K400	T392-A396 WeakPolarHBondContact O-CB 3.34Å; T392-A396 PolarHBondContact O-N 2.91Å; E393-A396 PolarHBondContact O-N 3.26Å; E393-A396 VanDerWaalsContact O-N 3.11Å; A396-F399 PolarHBondContact O-N 2.9Å; A396-K400 VanDerWaalsContact O-CB 3.32Å; A396-K400 WeakPolarHBondContact O-CB 3.36Å; A396-K400 PolarHBondContact O-N 2.93Å
397	N	92.4	Very high	90.9	Very high	73 Å²	73	98.1 Å²	98.1	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-67.8	-35.9	176.3	-78.7	-36.9	0	0	0	112.2	E393 K400 T401	E393-N397 VanDerWaalsContact CG-ND2 3.34Å; E393-N397 WeakPolarHBondContact CG-ND2 3.19Å; E393-N397 WeakPolarHBondContact O-CB 3.4Å; E393-N397 PolarHBondContact O-N 3.37Å; E393-N397 PolarHBondContact O-ND2 2.75Å; E393-N397 PolarHBondContact OE1-ND2 3.01Å; N397-K400 PolarHBondContact O-N 2.83Å; N397-T401 WeakPolarHBondContact O-CB 3.47Å; N397-T401 PolarHBondContact O-N 3.48Å; N397-T401 PolarHBondContact O-OG1 2.85Å
398	H	90	Very high	90.7	Very high	117 Å²	117	99.8 Å²	99.8	54%	0.542	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-51.2	171.7	180	74.4	0	0	0	111.5	C394 K395 K400 T401 E402	C394-H398 VanDerWaalsContact O-CB 3.27Å; C394-H398 WeakPolarHBondContact O-CB 3.49Å; C394-H398 PolarHBondContact O-N 3.25Å; K395-H398 PolarHBondContact O-N 2.93Å; H398-K400 VanDerWaalsContact C-N 3.32Å; H398-K400 PolarHBondContact O-N 2.96Å; H398-T401 PolarHBondContact O-N 2.93Å; H398-E402 PolarHBondContact O-N 3.19Å
399	F	89.8	Confident	90.5	Very high	141 Å²	141	101.4 Å²	101.4	62%	0.618	49%	0.49	S	S	*	.	H	α-helix	trans	-59.3	-41.1	175.5	-78.1	-58.3	0	0	0	112.4	K395 A396 E402 M403	K395-F399 WeakPolarHBondContact O-CD2 3.35Å; K395-F399 PolarHBondContact O-N 2.79Å; A396-F399 PolarHBondContact O-N 2.9Å; F399-E402 PolarHBondContact O-N 2.97Å; F399-M403 WeakPolarHBondContact O-CB 3.38Å; F399-M403 VanDerWaalsContact O-CG 3.24Å; F399-M403 WeakPolarHBondContact O-CG 3.32Å; F399-M403 PolarHBondContact O-N 3.47Å
400	K	91.2	Very high	90.2	Very high	124 Å²	124	100.8 Å²	100.8	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-60.1	-49.2	174.7	-178.8	-176.9	172.7	-170.8	0	111.4	A396 N397 H398 E402 M403 D404	A396-K400 VanDerWaalsContact O-CB 3.32Å; A396-K400 WeakPolarHBondContact O-CB 3.36Å; A396-K400 PolarHBondContact O-N 2.93Å; N397-K400 PolarHBondContact O-N 2.83Å; H398-K400 VanDerWaalsContact C-N 3.32Å; H398-K400 PolarHBondContact O-N 2.96Å; K400-E402 VanDerWaalsContact C-N 3.31Å; K400-E402 PolarHBondContact O-N 2.92Å; K400-M403 WeakPolarHBondContact O-CB 3.42Å; K400-M403 PolarHBondContact O-N 3.28Å; K400-D404 WeakPolarHBondContact O-CB 3.39Å; K400-D404 PolarHBondContact O-N 3.13Å
401	T	92	Very high	89.9	Confident	68 Å²	68	99.7 Å²	99.7	42%	0.417	48%	0.482	S	S	.	.	H	α-helix	trans	-60.5	-40.6	179.4	-56.6	0	0	0	0	111.5	N397 H398 D404 R405	N397-T401 WeakPolarHBondContact O-CB 3.47Å; N397-T401 PolarHBondContact O-N 3.48Å; N397-T401 PolarHBondContact O-OG1 2.85Å; H398-T401 PolarHBondContact O-N 2.93Å; T401-D404 PolarHBondContact O-N 2.92Å; T401-R405 WeakPolarHBondContact O-CB 3.32Å; T401-R405 VanDerWaalsContact O-CG 3.29Å; T401-R405 WeakPolarHBondContact O-CG 3.37Å; T401-R405 PolarHBondContact O-N 3.21Å
402	E	88.5	Confident	89.6	Confident	66 Å²	66	101 Å²	101	31%	0.308	48%	0.484	S	S	.	.	H	α-helix	trans	-73.6	-34.3	178.7	-156.8	63.6	-166.6	0	0	112.4	H398 F399 K400 R405 L406	H398-E402 PolarHBondContact O-N 3.19Å; F399-E402 PolarHBondContact O-N 2.97Å; K400-E402 VanDerWaalsContact C-N 3.31Å; K400-E402 PolarHBondContact O-N 2.92Å; E402-R405 WeakPolarHBondContact OE2-CD 3.46Å; E402-R405 IonicContact OE2-CZ 3.81Å; E402-R405 IonicContact OE2-NE 3.86Å; E402-R405 IonicContact OE2-NH1 3.49Å; E402-R405 PolarHBondContact OE2-NH1 2.87Å; E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 WeakPolarHBondContact O-CD1 3.49Å; E402-L406 VanDerWaalsContact O-CG 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.33Å; E402-L406 PolarHBondContact O-N 3.09Å
403	M	85.8	Confident	89.4	Confident	99 Å²	99	101.1 Å²	101.1	49%	0.488	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-42.9	168.4	-75.1	-70.3	105.2	0	0	112.1	F399 K400 L406 R407	F399-M403 WeakPolarHBondContact O-CB 3.38Å; F399-M403 VanDerWaalsContact O-CG 3.24Å; F399-M403 WeakPolarHBondContact O-CG 3.32Å; F399-M403 PolarHBondContact O-N 3.47Å; K400-M403 WeakPolarHBondContact O-CB 3.42Å; K400-M403 PolarHBondContact O-N 3.28Å; M403-L406 HydrophobicContact CE-CD1 3.8Å; M403-L406 PolarHBondContact O-N 2.86Å; M403-R407 PolarHBondContact O-N 2.92Å
404	D	90.2	Very high	88.9	Confident	57 Å²	57	100.7 Å²	100.7	31%	0.305	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-45.2	179.3	-66.5	-17.1	0	0	0	110.3	K400 T401 L406 R407 E408	K400-D404 WeakPolarHBondContact O-CB 3.39Å; K400-D404 PolarHBondContact O-N 3.13Å; T401-D404 PolarHBondContact O-N 2.92Å; D404-L406 VanDerWaalsContact C-N 3.32Å; D404-L406 PolarHBondContact O-N 3.36Å; D404-R407 PolarHBondContact O-N 3.07Å; D404-R407 VanDerWaalsContact O-N 3.14Å; D404-R407 IonicContact OD1-CZ 3.79Å; D404-R407 IonicContact OD1-NH1 2.6Å; D404-R407 PolarHBondContact OD1-NH1 2.93Å; D404-R407 IonicContact OD1-NH2 2.62Å; D404-R407 PolarHBondContact OD1-NH2 2.7Å; D404-E408 PolarHBondContact O-N 3.04Å
405	R	89.8	Confident	88.5	Confident	128 Å²	128	104.1 Å²	104.1	48%	0.483	48%	0.479	S	S	.	.	H	α-helix	trans	-56.4	-40.3	170.7	-76.2	165.2	170	-178.9	-1.5	113.3	T401 E402 E408 R409	T401-R405 WeakPolarHBondContact O-CB 3.32Å; T401-R405 VanDerWaalsContact O-CG 3.29Å; T401-R405 WeakPolarHBondContact O-CG 3.37Å; T401-R405 PolarHBondContact O-N 3.21Å; E402-R405 WeakPolarHBondContact OE2-CD 3.46Å; E402-R405 IonicContact OE2-CZ 3.81Å; E402-R405 IonicContact OE2-NE 3.86Å; E402-R405 IonicContact OE2-NH1 3.49Å; E402-R405 PolarHBondContact OE2-NH1 2.87Å; R405-E408 PolarHBondContact O-N 3Å; R405-R409 WeakPolarHBondContact O-CB 3.48Å; R405-R409 PolarHBondContact O-N 2.7Å
406	L	87.9	Confident	88.2	Confident	77 Å²	77	103.2 Å²	103.2	40%	0.403	48%	0.477	S	S	.	.	H	α-helix	trans	-68.7	-38	177.2	-77.1	165.4	0	0	0	111.5	E402 M403 D404 R409 Q410	E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 WeakPolarHBondContact O-CD1 3.49Å; E402-L406 VanDerWaalsContact O-CG 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.33Å; E402-L406 PolarHBondContact O-N 3.09Å; M403-L406 HydrophobicContact CE-CD1 3.8Å; M403-L406 PolarHBondContact O-N 2.86Å; D404-L406 VanDerWaalsContact C-N 3.32Å; D404-L406 PolarHBondContact O-N 3.36Å; L406-R409 PolarHBondContact O-N 3.02Å; L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 PolarHBondContact O-N 3.45Å
407	R	87.9	Confident	87.7	Confident	141 Å²	141	106.2 Å²	106.2	53%	0.532	48%	0.479	S	S	.	.	H	α-helix	trans	-67.2	-37.5	171.5	-68.2	-163.9	-131.7	90.6	9	112.8	M403 D404 Q410 M411	M403-R407 PolarHBondContact O-N 2.92Å; D404-R407 PolarHBondContact O-N 3.07Å; D404-R407 VanDerWaalsContact O-N 3.14Å; D404-R407 IonicContact OD1-CZ 3.79Å; D404-R407 IonicContact OD1-NH1 2.6Å; D404-R407 PolarHBondContact OD1-NH1 2.93Å; D404-R407 IonicContact OD1-NH2 2.62Å; D404-R407 PolarHBondContact OD1-NH2 2.7Å; R407-Q410 PolarHBondContact O-N 2.67Å; R407-M411 WeakPolarHBondContact O-CB 3.46Å; R407-M411 PolarHBondContact O-N 2.99Å
408	E	87.9	Confident	87.3	Confident	130 Å²	130	107.8 Å²	107.8	61%	0.607	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-43.8	173.2	-74.1	-171.7	153.7	0	0	112.2	D404 R405 Q410 M411 K412	D404-E408 PolarHBondContact O-N 3.04Å; R405-E408 PolarHBondContact O-N 3Å; E408-Q410 VanDerWaalsContact C-N 3.35Å; E408-Q410 PolarHBondContact O-N 2.93Å; E408-M411 PolarHBondContact O-N 2.93Å; E408-K412 WeakPolarHBondContact O-CB 3.38Å; E408-K412 PolarHBondContact O-N 3.14Å
409	R	87.2	Confident	87	Confident	154 Å²	154	106.6 Å²	106.6	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-61.4	-43.3	175.3	-170.8	178.6	-65.9	159.5	2.7	111.3	R405 L406 K412 I413	R405-R409 WeakPolarHBondContact O-CB 3.48Å; R405-R409 PolarHBondContact O-N 2.7Å; L406-R409 PolarHBondContact O-N 3.02Å; R409-K412 PolarHBondContact O-N 3.47Å; R409-I413 HydrophobicContact CG-CD1 4.32Å; R409-I413 WeakPolarHBondContact O-CG1 3.17Å; R409-I413 PolarHBondContact O-N 3.03Å; R409-I413 VanDerWaalsContact O-N 3.09Å
410	Q	86	Confident	86.6	Confident	95 Å²	95	104.7 Å²	104.7	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-49.1	175	-176.8	61.2	25	0	0	111.8	L406 R407 E408 K412 I413 E414	L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 PolarHBondContact O-N 3.45Å; R407-Q410 PolarHBondContact O-N 2.67Å; E408-Q410 VanDerWaalsContact C-N 3.35Å; E408-Q410 PolarHBondContact O-N 2.93Å; Q410-K412 VanDerWaalsContact C-N 3.26Å; Q410-K412 PolarHBondContact O-N 3.02Å; Q410-I413 PolarHBondContact O-N 3.23Å; Q410-I413 VanDerWaalsContact O-N 3.17Å; Q410-E414 PolarHBondContact NE2-OE1 2.76Å; Q410-E414 PolarHBondContact O-N 2.88Å
411	M	86.8	Confident	86.2	Confident	82 Å²	82	102.3 Å²	102.3	40%	0.404	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-33.5	175.7	-82	-170.2	-81.5	0	0	113	R407 E408 E414 R415	R407-M411 WeakPolarHBondContact O-CB 3.46Å; R407-M411 PolarHBondContact O-N 2.99Å; E408-M411 PolarHBondContact O-N 2.93Å; M411-E414 PolarHBondContact O-N 3.42Å; M411-R415 WeakPolarHBondContact O-CG 3.5Å; M411-R415 PolarHBondContact O-N 2.66Å
412	K	87.8	Confident	85.8	Confident	121 Å²	121	104.2 Å²	104.2	53%	0.526	47%	0.47	S	S	.	.	H	α-helix	trans	-67.3	-44.6	175.3	-171.8	171	-177	-71.3	0	111.4	E408 R409 Q410 E414 R415 E416	E408-K412 WeakPolarHBondContact O-CB 3.38Å; E408-K412 PolarHBondContact O-N 3.14Å; R409-K412 PolarHBondContact O-N 3.47Å; Q410-K412 VanDerWaalsContact C-N 3.26Å; Q410-K412 PolarHBondContact O-N 3.02Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.63Å; K412-R415 PolarHBondContact O-N 2.71Å; K412-E416 IonicContact NZ-OE1 2.8Å; K412-E416 PolarHBondContact NZ-OE1 3.47Å; K412-E416 WeakPolarHBondContact O-CB 3.35Å; K412-E416 WeakPolarHBondContact O-CG 3.4Å; K412-E416 PolarHBondContact O-N 3.17Å
413	I	85.5	Confident	85.6	Confident	88 Å²	88	107.5 Å²	107.5	45%	0.451	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-40.9	174.8	-67.2	163.8	0	0	0	110.8	R409 Q410 E416 K417	R409-I413 HydrophobicContact CG-CD1 4.32Å; R409-I413 WeakPolarHBondContact O-CG1 3.17Å; R409-I413 PolarHBondContact O-N 3.03Å; R409-I413 VanDerWaalsContact O-N 3.09Å; Q410-I413 PolarHBondContact O-N 3.23Å; Q410-I413 VanDerWaalsContact O-N 3.17Å; I413-E416 PolarHBondContact O-N 3Å; I413-K417 VanDerWaalsContact O-CB 3.29Å; I413-K417 WeakPolarHBondContact O-CB 3.49Å; I413-K417 PolarHBondContact O-N 3.49Å
414	E	82.7	Confident	85.3	Confident	104 Å²	104	107.5 Å²	107.5	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-67.6	-38.1	177.7	-75.1	172.8	-167	0	0	113.1	Q410 M411 K412 H418	Q410-E414 PolarHBondContact NE2-OE1 2.76Å; Q410-E414 PolarHBondContact O-N 2.88Å; M411-E414 PolarHBondContact O-N 3.42Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.63Å; E414-H418 WeakPolarHBondContact O-CB 3.36Å; E414-H418 PolarHBondContact O-N 3.4Å
415	R	84.8	Confident	84.9	Confident	155 Å²	155	111.1 Å²	111.1	59%	0.585	49%	0.494	S	S	*	.	H	α-helix	trans	-65.6	-45.7	172	-70.8	175.9	-158.1	131.2	5.8	111.9	M411 K412 K417 H418 D419	M411-R415 WeakPolarHBondContact O-CG 3.5Å; M411-R415 PolarHBondContact O-N 2.66Å; K412-R415 PolarHBondContact O-N 2.71Å; R415-K417 VanDerWaalsContact C-N 3.29Å; R415-K417 PolarHBondContact O-N 3.13Å; R415-H418 PolarHBondContact O-N 3.06Å; R415-H418 VanDerWaalsContact O-N 3.11Å; R415-D419 PolarHBondContact O-N 2.81Å
416	E	85.1	Confident	84.5	Confident	90 Å²	90	109.2 Å²	109.2	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-38.8	177.5	-74.2	170.1	179.1	0	0	111.6	K412 I413 L420	K412-E416 IonicContact NZ-OE1 2.8Å; K412-E416 PolarHBondContact NZ-OE1 3.47Å; K412-E416 WeakPolarHBondContact O-CB 3.35Å; K412-E416 WeakPolarHBondContact O-CG 3.4Å; K412-E416 PolarHBondContact O-N 3.17Å; I413-E416 PolarHBondContact O-N 3Å; E416-L420 WeakPolarHBondContact O-CB 3.33Å; E416-L420 VanDerWaalsContact O-CG 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.38Å; E416-L420 PolarHBondContact O-N 3.47Å
417	K	83.2	Confident	84	Confident	121 Å²	121	108 Å²	108	53%	0.526	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-45.3	170.8	-179.2	173.7	-179.9	-72.2	0	112	I413 R415 L420 E421	I413-K417 VanDerWaalsContact O-CB 3.29Å; I413-K417 WeakPolarHBondContact O-CB 3.49Å; I413-K417 PolarHBondContact O-N 3.49Å; R415-K417 VanDerWaalsContact C-N 3.29Å; R415-K417 PolarHBondContact O-N 3.13Å; K417-L420 PolarHBondContact O-N 2.95Å; K417-E421 IonicContact NZ-OE1 2.91Å; K417-E421 PolarHBondContact NZ-OE1 3.2Å; K417-E421 WeakPolarHBondContact O-CG 3.47Å; K417-E421 PolarHBondContact O-N 2.81Å
418	H	84.2	Confident	83.6	Confident	106 Å²	106	105.9 Å²	105.9	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-39.4	179.6	-168.4	69.1	0	0	0	113	E414 R415 L420 E421 K422	E414-H418 WeakPolarHBondContact O-CB 3.36Å; E414-H418 PolarHBondContact O-N 3.4Å; R415-H418 PolarHBondContact O-N 3.06Å; R415-H418 VanDerWaalsContact O-N 3.11Å; H418-L420 VanDerWaalsContact C-N 3.33Å; H418-E421 IonicContact ND1-OE2 3.85Å; H418-E421 PolarHBondContact O-N 3.39Å; H418-K422 PolarHBondContact O-N 3.16Å
419	D	83.4	Confident	83.3	Confident	91 Å²	91	106 Å²	106	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-34.4	174.7	-80.9	-22.3	0	0	0	112	R415 K422 K423	R415-D419 PolarHBondContact O-N 2.81Å; D419-K422 PolarHBondContact O-N 2.75Å; D419-K423 VanDerWaalsContact O-CG 3.29Å; D419-K423 WeakPolarHBondContact O-CG 3.39Å; D419-K423 PolarHBondContact O-N 3.01Å
420	L	81.6	Confident	82.8	Confident	102 Å²	102	105.8 Å²	105.8	53%	0.534	49%	0.492	S	S	.	.	H	α-helix	trans	-67.9	-46.5	171	-75	167	0	0	0	111.5	E416 K417 H418 K422 K423 I424	E416-L420 WeakPolarHBondContact O-CB 3.33Å; E416-L420 VanDerWaalsContact O-CG 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.38Å; E416-L420 PolarHBondContact O-N 3.47Å; K417-L420 PolarHBondContact O-N 2.95Å; H418-L420 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 2.95Å; L420-K423 PolarHBondContact O-N 3.21Å; L420-K423 VanDerWaalsContact O-N 3.15Å; L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.49Å; L420-I424 PolarHBondContact O-N 3.31Å
421	E	81.6	Confident	82.4	Confident	74 Å²	74	105.5 Å²	105.5	35%	0.346	50%	0.497	S	S	.	.	H	α-helix	trans	-59.5	-30.2	174	-75.1	170.2	179.7	0	0	112.8	K417 H418 R425	K417-E421 IonicContact NZ-OE1 2.91Å; K417-E421 PolarHBondContact NZ-OE1 3.2Å; K417-E421 WeakPolarHBondContact O-CG 3.47Å; K417-E421 PolarHBondContact O-N 2.81Å; H418-E421 IonicContact ND1-OE2 3.85Å; H418-E421 PolarHBondContact O-N 3.39Å; E421-R425 PolarHBondContact O-N 3.14Å; E421-R425 PolarHBondContact O-NE 2.77Å; E421-R425 PolarHBondContact O-NH2 3.42Å
422	K	83.7	Confident	81.9	Confident	107 Å²	107	107.5 Å²	107.5	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-72.4	-51.1	171.4	-170.5	-173.1	170.8	-173.4	0	111.3	H418 D419 L420 I424 R425 D426	H418-K422 PolarHBondContact O-N 3.16Å; D419-K422 PolarHBondContact O-N 2.75Å; L420-K422 PolarHBondContact O-N 2.95Å; K422-I424 PolarHBondContact O-N 2.95Å; K422-R425 PolarHBondContact O-N 3Å; K422-R425 VanDerWaalsContact O-N 3.08Å; K422-D426 WeakPolarHBondContact CE-OD2 3.48Å; K422-D426 PolarHBondContact O-N 3.29Å
423	K	83.6	Confident	81.4	Confident	136 Å²	136	106.4 Å²	106.4	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-58.3	-34.7	178.7	-74.4	167.5	-176.4	171.3	0	113.1	D419 L420 A427	D419-K423 VanDerWaalsContact O-CG 3.29Å; D419-K423 WeakPolarHBondContact O-CG 3.39Å; D419-K423 PolarHBondContact O-N 3.01Å; L420-K423 PolarHBondContact O-N 3.21Å; L420-K423 VanDerWaalsContact O-N 3.15Å; K423-A427 VanDerWaalsContact O-CB 3.28Å; K423-A427 WeakPolarHBondContact O-CB 3.2Å; K423-A427 PolarHBondContact O-N 2.99Å
424	I	81.2	Confident	81	Confident	98 Å²	98	106.9 Å²	106.9	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-51.5	173.5	-69.4	163.5	0	0	0	110.1	L420 K422 D426 A427 D428	L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.49Å; L420-I424 PolarHBondContact O-N 3.31Å; K422-I424 PolarHBondContact O-N 2.95Å; I424-D426 PolarHBondContact O-N 3.12Å; I424-A427 PolarHBondContact O-N 3.01Å; I424-A427 VanDerWaalsContact O-N 3.14Å; I424-D428 VanDerWaalsContact O-CG 3.26Å; I424-D428 PolarHBondContact O-N 3.34Å
425	R	81.4	Confident	80.7	Confident	134 Å²	134	105.1 Å²	105.1	51%	0.506	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-40.8	176.5	-76	174	-73.1	155.5	-3.6	113.4	E421 K422 A427 D428 F429	E421-R425 PolarHBondContact O-N 3.14Å; E421-R425 PolarHBondContact O-NE 2.77Å; E421-R425 PolarHBondContact O-NH2 3.42Å; K422-R425 PolarHBondContact O-N 3Å; K422-R425 VanDerWaalsContact O-N 3.08Å; R425-A427 VanDerWaalsContact C-N 3.29Å; R425-A427 PolarHBondContact O-N 2.88Å; R425-D428 PolarHBondContact O-N 3.49Å; R425-F429 WeakPolarHBondContact O-CB 3.38Å; R425-F429 PolarHBondContact O-N 3.17Å
426	D	80.9	Confident	80.3	Confident	88 Å²	88	101.5 Å²	101.5	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-36.2	177.3	-66.2	-17.8	0	0	0	110.7	K422 I424 Y430	K422-D426 WeakPolarHBondContact CE-OD2 3.48Å; K422-D426 PolarHBondContact O-N 3.29Å; I424-D426 PolarHBondContact O-N 3.12Å; D426-Y430 PolarHBondContact O-N 3.02Å
427	A	78.1	Confident	79.9	Confident	51 Å²	51	102.3 Å²	102.3	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-73.3	-43.7	174.5	0	0	0	0	0	113	K423 I424 R425 F429 Y430 V431	K423-A427 VanDerWaalsContact O-CB 3.28Å; K423-A427 WeakPolarHBondContact O-CB 3.2Å; K423-A427 PolarHBondContact O-N 2.99Å; I424-A427 PolarHBondContact O-N 3.01Å; I424-A427 VanDerWaalsContact O-N 3.14Å; R425-A427 VanDerWaalsContact C-N 3.29Å; R425-A427 PolarHBondContact O-N 2.88Å; A427-F429 VanDerWaalsContact C-N 3.28Å; A427-F429 PolarHBondContact O-N 3.46Å; A427-Y430 PolarHBondContact O-N 3.28Å; A427-Y430 VanDerWaalsContact O-N 3.07Å; A427-V431 WeakPolarHBondContact O-CG2 3.38Å; A427-V431 PolarHBondContact O-N 2.88Å
428	D	78.6	Confident	79.5	Confident	97 Å²	97	101 Å²	101	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-58.5	-41.7	176.1	-69.7	-29.1	0	0	0	110.9	I424 R425 V431 H432	I424-D428 VanDerWaalsContact O-CG 3.26Å; I424-D428 PolarHBondContact O-N 3.34Å; R425-D428 PolarHBondContact O-N 3.49Å; D428-V431 PolarHBondContact O-N 2.85Å; D428-H432 WeakPolarHBondContact O-CB 3.38Å; D428-H432 PolarHBondContact O-N 3.06Å
429	F	81.2	Confident	79	Confident	133 Å²	133	100.3 Å²	100.3	58%	0.583	50%	0.499	S	S	*	.	H	α-helix	trans	-61.2	-43.2	173.5	-178.6	-92.6	0	0	0	112	R425 A427 H432 Q433	R425-F429 WeakPolarHBondContact O-CB 3.38Å; R425-F429 PolarHBondContact O-N 3.17Å; A427-F429 VanDerWaalsContact C-N 3.28Å; A427-F429 PolarHBondContact O-N 3.46Å; F429-H432 PolarHBondContact O-N 3.07Å; F429-Q433 WeakPolarHBondContact O-CB 3.27Å; F429-Q433 PolarHBondContact O-N 2.93Å
430	Y	78	Confident	78.6	Confident	148 Å²	148	102.3 Å²	102.3	58%	0.58	50%	0.503	S	S	*	.	H	α-helix	trans	-68.3	-39.2	179.3	-140.7	-82.3	0	0	0	112.3	D426 A427 Q433 L434	D426-Y430 PolarHBondContact O-N 3.02Å; A427-Y430 PolarHBondContact O-N 3.28Å; A427-Y430 VanDerWaalsContact O-N 3.07Å; Y430-Q433 PolarHBondContact O-N 3.04Å; Y430-L434 HydrophobicContact CD1-CD1 3.93Å; Y430-L434 HydrophobicContact CD1-CG 4.18Å; Y430-L434 HydrophobicContact CE1-CD1 4.37Å; Y430-L434 HydrophobicContact CE1-CG 4.45Å; Y430-L434 WeakPolarHBondContact O-CB 3.42Å; Y430-L434 WeakPolarHBondContact O-CG 3.29Å; Y430-L434 PolarHBondContact O-N 3.46Å
431	V	76.9	Confident	78.1	Confident	90 Å²	90	104.8 Å²	104.8	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-42.4	173.6	170.7	0	0	0	0	110.9	A427 D428 L434 T435	A427-V431 WeakPolarHBondContact O-CG2 3.38Å; A427-V431 PolarHBondContact O-N 2.88Å; D428-V431 PolarHBondContact O-N 2.85Å; V431-L434 PolarHBondContact O-N 3.37Å; V431-T435 PolarHBondContact O-N 2.91Å; V431-T435 PolarHBondContact O-OG1 3.25Å
432	H	77.1	Confident	77.6	Confident	123 Å²	123	107.2 Å²	107.2	57%	0.569	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-43.3	174.9	-173.3	60.6	0	0	0	111.8	D428 F429 T435 V436	D428-H432 WeakPolarHBondContact O-CB 3.38Å; D428-H432 PolarHBondContact O-N 3.06Å; F429-H432 PolarHBondContact O-N 3.07Å; H432-T435 WeakPolarHBondContact O-CB 3.42Å; H432-T435 PolarHBondContact O-N 3.22Å; H432-V436 WeakPolarHBondContact O-CG2 3.38Å; H432-V436 PolarHBondContact O-N 2.81Å
433	Q	76.7	Confident	77.1	Confident	98 Å²	98	105.2 Å²	105.2	46%	0.458	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.4	-174.8	168.3	53.5	0	0	112.6	F429 Y430 T435 V436 E437	F429-Q433 WeakPolarHBondContact O-CB 3.27Å; F429-Q433 PolarHBondContact O-N 2.93Å; Y430-Q433 PolarHBondContact O-N 3.04Å; Q433-T435 VanDerWaalsContact C-N 3.31Å; Q433-T435 PolarHBondContact O-N 3.29Å; Q433-V436 PolarHBondContact O-N 3.32Å; Q433-E437 PolarHBondContact O-N 2.84Å
434	L	77.7	Confident	76.4	Confident	98 Å²	98	104 Å²	104	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-36.6	173.9	-76.3	169.5	0	0	0	112.5	Y430 V431 N438	Y430-L434 HydrophobicContact CD1-CD1 3.93Å; Y430-L434 HydrophobicContact CD1-CG 4.18Å; Y430-L434 HydrophobicContact CE1-CD1 4.37Å; Y430-L434 HydrophobicContact CE1-CG 4.45Å; Y430-L434 WeakPolarHBondContact O-CB 3.42Å; Y430-L434 WeakPolarHBondContact O-CG 3.29Å; Y430-L434 PolarHBondContact O-N 3.46Å; V431-L434 PolarHBondContact O-N 3.37Å; L434-N438 WeakPolarHBondContact O-CB 3.31Å; L434-N438 PolarHBondContact O-N 3.32Å
435	T	75.7	Confident	75.8	Confident	67 Å²	67	103 Å²	103	41%	0.411	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-50.2	175.2	-51.1	0	0	0	0	110.4	V431 H432 Q433 E437 N438 D439	V431-T435 PolarHBondContact O-N 2.91Å; V431-T435 PolarHBondContact O-OG1 3.25Å; H432-T435 WeakPolarHBondContact O-CB 3.42Å; H432-T435 PolarHBondContact O-N 3.22Å; Q433-T435 VanDerWaalsContact C-N 3.31Å; Q433-T435 PolarHBondContact O-N 3.29Å; T435-E437 PolarHBondContact O-N 2.9Å; T435-N438 PolarHBondContact O-N 3.43Å; T435-D439 VanDerWaalsContact O-CG 3.29Å; T435-D439 PolarHBondContact O-N 3.31Å
436	V	77.4	Confident	75.1	Confident	79 Å²	79	100.3 Å²	100.3	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-35.2	179.4	174.5	0	0	0	0	112.5	H432 Q433 K440	H432-V436 WeakPolarHBondContact O-CG2 3.38Å; H432-V436 PolarHBondContact O-N 2.81Å; Q433-V436 PolarHBondContact O-N 3.32Å; V436-K440 WeakPolarHBondContact O-CB 3.43Å; V436-K440 PolarHBondContact O-N 3.14Å
437	E	75.7	Confident	74.7	Confident	108 Å²	108	101.5 Å²	101.5	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-41.8	169.8	-89.1	-134.7	131.6	0	0	112.2	Q433 T435 K440 R441	Q433-E437 PolarHBondContact O-N 2.84Å; T435-E437 PolarHBondContact O-N 2.9Å; E437-K440 WeakPolarHBondContact O-CB 3.36Å; E437-K440 PolarHBondContact O-N 2.94Å; E437-R441 WeakPolarHBondContact O-CG 3.25Å; E437-R441 PolarHBondContact O-N 3.37Å
438	N	74.1	Confident	74.1	Confident	92 Å²	92	104.1 Å²	104.1	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-46.8	-178.9	-168.7	68.7	0	0	0	111.8	L434 T435 K440 R441 E442	L434-N438 WeakPolarHBondContact O-CB 3.31Å; L434-N438 PolarHBondContact O-N 3.32Å; T435-N438 PolarHBondContact O-N 3.43Å; N438-K440 PolarHBondContact O-N 3.26Å; N438-R441 PolarHBondContact O-N 3.33Å; N438-E442 PolarHBondContact O-N 2.94Å
439	D	74.1	Confident	73.3	Confident	92 Å²	92	107.2 Å²	107.2	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-55.1	-40.5	173.9	-64.5	-8.9	0	0	0	111.2	T435 E442 A443	T435-D439 VanDerWaalsContact O-CG 3.29Å; T435-D439 PolarHBondContact O-N 3.31Å; D439-E442 PolarHBondContact O-N 3.27Å; D439-A443 PolarHBondContact O-N 2.81Å
440	K	74.9	Confident	72.6	Confident	133 Å²	133	106.5 Å²	106.5	58%	0.578	52%	0.516	S	S	*	.	H	α-helix	trans	-68.3	-36.4	177	-170	-178.3	177	-169.8	0	112.4	V436 E437 N438 A443 E444	V436-K440 WeakPolarHBondContact O-CB 3.43Å; V436-K440 PolarHBondContact O-N 3.14Å; E437-K440 WeakPolarHBondContact O-CB 3.36Å; E437-K440 PolarHBondContact O-N 2.94Å; N438-K440 PolarHBondContact O-N 3.26Å; K440-A443 PolarHBondContact O-N 3.45Å; K440-E444 PolarHBondContact O-N 2.8Å
441	R	71.6	Confident	72.1	Confident	155 Å²	155	104 Å²	104	59%	0.585	51%	0.51	S	S	*	.	H	α-helix	trans	-71.2	-34.5	174.5	-67.2	-169.4	101.3	92.1	8.8	112.5	E437 N438 T445	E437-R441 WeakPolarHBondContact O-CG 3.25Å; E437-R441 PolarHBondContact O-N 3.37Å; N438-R441 PolarHBondContact O-N 3.33Å; R441-T445 WeakPolarHBondContact O-CB 3.23Å; R441-T445 WeakPolarHBondContact O-CG2 3.39Å; R441-T445 PolarHBondContact O-N 2.83Å; R441-T445 PolarHBondContact O-OG1 3.05Å
442	E	71.3	Confident	71.6	Confident	125 Å²	125	104.4 Å²	104.4	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-43.9	170.3	-71.4	-155.8	129.7	0	0	111.1	N438 D439 E444 T445 E446	N438-E442 PolarHBondContact O-N 2.94Å; D439-E442 PolarHBondContact O-N 3.27Å; E442-E444 PolarHBondContact O-N 3.29Å; E442-T445 WeakPolarHBondContact CA-OG1 3.5Å; E442-T445 PolarHBondContact O-N 2.84Å; E442-T445 PolarHBondContact O-OG1 3.07Å; E442-E446 WeakPolarHBondContact O-CB 3.35Å; E442-E446 PolarHBondContact O-N 3.31Å
443	A	72.6	Confident	71	Confident	64 Å²	64	103.6 Å²	103.6	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.1	0	0	0	0	0	113.1	D439 K440 K447	D439-A443 PolarHBondContact O-N 2.81Å; K440-A443 PolarHBondContact O-N 3.45Å; A443-K447 WeakPolarHBondContact O-CB 3.19Å; A443-K447 PolarHBondContact O-N 3.34Å
444	E	69.9	Low	70.4	Confident	110 Å²	110	103 Å²	103	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-42.7	175.4	-83.5	-173.4	165.5	0	0	112.9	K440 E442 E446 K447 L448	K440-E444 PolarHBondContact O-N 2.8Å; E442-E444 PolarHBondContact O-N 3.29Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 3.33Å; E444-K447 PolarHBondContact O-N 2.6Å; E444-L448 WeakPolarHBondContact O-CB 3.38Å; E444-L448 WeakPolarHBondContact O-CG 3.32Å; E444-L448 PolarHBondContact O-N 3.4Å
445	T	68.3	Low	69.6	Low	77 Å²	77	100.8 Å²	100.8	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-31.9	179.1	49.1	0	0	0	0	112.6	R441 E442 R449	R441-T445 WeakPolarHBondContact O-CB 3.23Å; R441-T445 WeakPolarHBondContact O-CG2 3.39Å; R441-T445 PolarHBondContact O-N 2.83Å; R441-T445 PolarHBondContact O-OG1 3.05Å; E442-T445 WeakPolarHBondContact CA-OG1 3.5Å; E442-T445 PolarHBondContact O-N 2.84Å; E442-T445 PolarHBondContact O-OG1 3.07Å; T445-R449 PolarHBondContact O-N 3.5Å
446	E	67.3	Low	68.9	Low	78 Å²	78	103.3 Å²	103.3	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-74.2	-33.4	173	-176.7	51.3	-152.5	0	0	112.6	E442 E444 R449 K450	E442-E446 WeakPolarHBondContact O-CB 3.35Å; E442-E446 PolarHBondContact O-N 3.31Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 3.33Å; E446-R449 PolarHBondContact O-N 2.75Å; E446-K450 PolarHBondContact O-N 2.92Å; E446-K450 IonicContact OE1-NZ 2.62Å; E446-K450 PolarHBondContact OE1-NZ 3.34Å
447	K	71.6	Confident	68.3	Low	114 Å²	114	105.9 Å²	105.9	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-48	168.6	-179.2	177.6	177.5	-70.6	0	111.1	A443 E444 R449 K450 E451	A443-K447 WeakPolarHBondContact O-CB 3.19Å; A443-K447 PolarHBondContact O-N 3.34Å; E444-K447 PolarHBondContact O-N 2.6Å; K447-R449 VanDerWaalsContact C-N 3.32Å; K447-R449 PolarHBondContact O-N 3.03Å; K447-K450 PolarHBondContact O-N 3.37Å; K447-K450 VanDerWaalsContact O-N 3.17Å; K447-E451 WeakPolarHBondContact CE-OE1 3.33Å; K447-E451 IonicContact NZ-OE1 2.76Å; K447-E451 PolarHBondContact NZ-OE1 2.95Å; K447-E451 IonicContact NZ-OE2 2.61Å; K447-E451 PolarHBondContact NZ-OE2 2.89Å; K447-E451 PolarHBondContact O-N 2.89Å
448	L	65.6	Low	67.6	Low	105 Å²	105	103.5 Å²	103.5	55%	0.55	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-33.8	178.3	-72.9	167.9	0	0	0	112.5	E444 E451 L452	E444-L448 WeakPolarHBondContact O-CB 3.38Å; E444-L448 WeakPolarHBondContact O-CG 3.32Å; E444-L448 PolarHBondContact O-N 3.4Å; L448-E451 PolarHBondContact O-N 3.18Å; L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 PolarHBondContact O-N 3.09Å
449	R	62.5	Low	66.9	Low	162 Å²	162	104.6 Å²	104.6	61%	0.611	52%	0.524	S	S	*	.	H	α-helix	trans	-58.8	-48.8	169.9	-93	-170.6	173.3	119.3	1.4	112.1	T445 E446 K447 L452 I453	T445-R449 PolarHBondContact O-N 3.5Å; E446-R449 PolarHBondContact O-N 2.75Å; K447-R449 VanDerWaalsContact C-N 3.32Å; K447-R449 PolarHBondContact O-N 3.03Å; R449-L452 PolarHBondContact O-N 3.39Å; R449-I453 WeakPolarHBondContact O-CG1 3.26Å; R449-I453 PolarHBondContact O-N 2.89Å
450	K	66.5	Low	66.2	Low	119 Å²	119	109.7 Å²	109.7	52%	0.517	54%	0.536	S	S	.	.	H	α-helix	trans	-63	-44.5	179	-70.2	-178.2	173.6	74.2	0	111.5	E446 K447 I453 C454	E446-K450 PolarHBondContact O-N 2.92Å; E446-K450 IonicContact OE1-NZ 2.62Å; E446-K450 PolarHBondContact OE1-NZ 3.34Å; K447-K450 PolarHBondContact O-N 3.37Å; K447-K450 VanDerWaalsContact O-N 3.17Å; K450-I453 PolarHBondContact O-N 2.91Å; K450-C454 PolarHBondContact O-N 3.17Å; K450-C454 VanDerWaalsContact O-N 3.08Å; K450-C454 PolarHBondContact O-SG 3.02Å; K450-C454 VanDerWaalsContact O-SG 3.35Å
451	E	67.2	Low	65.3	Low	95 Å²	95	108 Å²	108	44%	0.444	53%	0.53	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177.3	-72.1	175.6	162.6	0	0	112.2	K447 L448 I453 C454 A455	K447-E451 WeakPolarHBondContact CE-OE1 3.33Å; K447-E451 IonicContact NZ-OE1 2.76Å; K447-E451 PolarHBondContact NZ-OE1 2.95Å; K447-E451 IonicContact NZ-OE2 2.61Å; K447-E451 PolarHBondContact NZ-OE2 2.89Å; K447-E451 PolarHBondContact O-N 2.89Å; L448-E451 PolarHBondContact O-N 3.18Å; E451-I453 PolarHBondContact O-N 2.81Å; E451-C454 PolarHBondContact O-N 2.91Å; E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 3.46Å
452	L	66.3	Low	64.6	Low	99 Å²	99	103 Å²	103	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-35.8	175.4	-177.1	64.8	0	0	0	112.9	L448 R449 K456	L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 PolarHBondContact O-N 3.09Å; R449-L452 PolarHBondContact O-N 3.39Å; L452-K456 WeakPolarHBondContact O-CB 3.47Å; L452-K456 WeakPolarHBondContact O-CG 3.48Å; L452-K456 PolarHBondContact O-N 2.93Å
453	I	64.6	Low	63.8	Low	106 Å²	106	100 Å²	100	54%	0.544	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-47	175	-70.1	164.7	0	0	0	110.2	R449 K450 E451 A455 K456 M457	R449-I453 WeakPolarHBondContact O-CG1 3.26Å; R449-I453 PolarHBondContact O-N 2.89Å; K450-I453 PolarHBondContact O-N 2.91Å; E451-I453 PolarHBondContact O-N 2.81Å; I453-A455 VanDerWaalsContact C-N 3.34Å; I453-A455 PolarHBondContact O-N 2.7Å; I453-K456 PolarHBondContact O-N 3.34Å; I453-M457 PolarHBondContact O-N 3.46Å
454	C	63.4	Low	62.9	Low	84 Å²	84	99.2 Å²	99.2	57%	0.568	51%	0.506	S	S	*	.	H	α-helix	trans	-59.8	-44.1	174.8	-65.8	0	0	0	0	111.7	K450 E451 K456 M457 A458	K450-C454 PolarHBondContact O-N 3.17Å; K450-C454 VanDerWaalsContact O-N 3.08Å; K450-C454 PolarHBondContact O-SG 3.02Å; K450-C454 VanDerWaalsContact O-SG 3.35Å; E451-C454 PolarHBondContact O-N 2.91Å; C454-K456 PolarHBondContact O-N 3.08Å; C454-M457 PolarHBondContact O-N 2.96Å; C454-A458 PolarHBondContact O-N 2.9Å
455	A	61.2	Low	62.1	Low	53 Å²	53	101.2 Å²	101.2	44%	0.438	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-43.6	176.6	0	0	0	0	0	112.1	E451 I453 M457 A458 E459	E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 3.46Å; I453-A455 VanDerWaalsContact C-N 3.34Å; I453-A455 PolarHBondContact O-N 2.7Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.88Å; A455-A458 PolarHBondContact O-N 2.92Å; A455-E459 VanDerWaalsContact O-CB 3.25Å; A455-E459 WeakPolarHBondContact O-CB 3.47Å; A455-E459 PolarHBondContact O-N 2.71Å
456	K	61.1	Low	61.2	Low	120 Å²	120	103.1 Å²	103.1	52%	0.522	52%	0.515	S	S	.	.	H	α-helix	trans	-69.6	-26.4	176.3	-78.4	-172.3	172.5	-176	0	114	L452 I453 C454 R460	L452-K456 WeakPolarHBondContact O-CB 3.47Å; L452-K456 WeakPolarHBondContact O-CG 3.48Å; L452-K456 PolarHBondContact O-N 2.93Å; I453-K456 PolarHBondContact O-N 3.34Å; C454-K456 PolarHBondContact O-N 3.08Å; K456-R460 WeakPolarHBondContact O-CB 3.05Å; K456-R460 WeakPolarHBondContact O-CG 3.5Å; K456-R460 PolarHBondContact O-N 3.03Å
457	M	64.4	Low	60.4	Low	132 Å²	132	104.2 Å²	104.2	65%	0.65	52%	0.523	S	S	*	.	H	α-helix	trans	-72.8	-46.4	170.1	-73.3	-168.7	67	0	0	111.3	I453 C454 A455 E459 R460 E461	I453-M457 PolarHBondContact O-N 3.46Å; C454-M457 PolarHBondContact O-N 2.96Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.88Å; M457-E459 VanDerWaalsContact C-N 3.32Å; M457-E459 PolarHBondContact O-N 3.46Å; M457-R460 PolarHBondContact O-N 3.31Å; M457-E461 WeakPolarHBondContact O-CB 3.37Å; M457-E461 PolarHBondContact O-N 2.86Å
458	A	61	Low	59.4	Low	58 Å²	58	107 Å²	107	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-37.8	174.6	0	0	0	0	0	112.3	C454 A455 E461 A462	C454-A458 PolarHBondContact O-N 2.9Å; A455-A458 PolarHBondContact O-N 2.92Å; A458-E461 PolarHBondContact O-N 3.37Å; A458-A462 WeakPolarHBondContact O-CB 3.5Å; A458-A462 PolarHBondContact O-N 3.48Å
459	E	59.5	Low	58.3	Low	116 Å²	116	109 Å²	109	54%	0.542	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-44.5	172.2	-177.4	-176.4	-156.1	0	0	111.1	A455 M457 T463	A455-E459 VanDerWaalsContact O-CB 3.25Å; A455-E459 WeakPolarHBondContact O-CB 3.47Å; A455-E459 PolarHBondContact O-N 2.71Å; M457-E459 VanDerWaalsContact C-N 3.32Å; M457-E459 PolarHBondContact O-N 3.46Å; E459-T463 HydrophobicContact CG-CG2 4.5Å; E459-T463 VanDerWaalsContact O-CB 3.3Å; E459-T463 WeakPolarHBondContact O-CB 3.26Å; E459-T463 WeakPolarHBondContact O-CG2 3.39Å; E459-T463 PolarHBondContact O-N 2.65Å; E459-T463 PolarHBondContact O-OG1 3Å
460	R	58.9	Low	57.6	Low	198 Å²	198	104.7 Å²	104.7	75%	0.747	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-37.9	173.7	-87.4	-177.9	167.9	170.9	-3.2	112.9	K456 M457 T463 A464	K456-R460 WeakPolarHBondContact O-CB 3.05Å; K456-R460 WeakPolarHBondContact O-CG 3.5Å; K456-R460 PolarHBondContact O-N 3.03Å; M457-R460 PolarHBondContact O-N 3.31Å; R460-T463 WeakPolarHBondContact CA-OG1 3.38Å; R460-T463 PolarHBondContact O-OG1 3.34Å; R460-A464 WeakPolarHBondContact O-CB 3.36Å; R460-A464 PolarHBondContact O-N 3.03Å
461	E	57.5	Low	56.9	Low	99 Å²	99	106.1 Å²	106.1	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-74.4	-38.1	179.2	-156	-172.6	140.1	0	0	111.7	M457 A458 A464 R465	M457-E461 WeakPolarHBondContact O-CB 3.37Å; M457-E461 PolarHBondContact O-N 2.86Å; A458-E461 PolarHBondContact O-N 3.37Å; E461-A464 PolarHBondContact O-N 3.49Å; E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 2.82Å; E461-R465 IonicContact OE1-CZ 3.11Å; E461-R465 IonicContact OE1-NH1 2.7Å; E461-R465 PolarHBondContact OE1-NH1 2.85Å; E461-R465 IonicContact OE1-NH2 2.7Å; E461-R465 PolarHBondContact OE1-NH2 3.46Å
462	A	56.1	Low	55.3	Low	49 Å²	49	106 Å²	106	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-70.2	-41.7	174.3	0	0	0	0	0	112.1	A458 R465 L466	A458-A462 WeakPolarHBondContact O-CB 3.5Å; A458-A462 PolarHBondContact O-N 3.48Å; A462-R465 PolarHBondContact O-N 2.98Å; A462-L466 WeakPolarHBondContact O-CB 3.41Å; A462-L466 PolarHBondContact O-N 2.83Å
463	T	53.6	Low	53.8	Low	63 Å²	63	103.4 Å²	103.4	39%	0.387	55%	0.552	S	S	.	*	H	α-helix	trans	-69.1	-33.6	172.3	52.3	0	0	0	0	111.6	E459 R460 L466 L467	E459-T463 HydrophobicContact CG-CG2 4.5Å; E459-T463 VanDerWaalsContact O-CB 3.3Å; E459-T463 WeakPolarHBondContact O-CB 3.26Å; E459-T463 WeakPolarHBondContact O-CG2 3.39Å; E459-T463 PolarHBondContact O-N 2.65Å; E459-T463 PolarHBondContact O-OG1 3Å; R460-T463 WeakPolarHBondContact CA-OG1 3.38Å; R460-T463 PolarHBondContact O-OG1 3.34Å; T463-L466 CarbonylContact O-C 3.57Å; T463-L466 PolarHBondContact O-N 3.34Å; T463-L467 WeakPolarHBondContact O-CA 3.38Å; T463-L467 WeakPolarHBondContact O-CB 3.49Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.47Å; T463-L467 PolarHBondContact O-N 3.5Å
464	A	54	Low	52.5	Low	47 Å²	47	110.4 Å²	110.4	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-62.2	-44.1	169.8	0	0	0	0	0	111.8	R460 E461 L467 E468	R460-A464 WeakPolarHBondContact O-CB 3.36Å; R460-A464 PolarHBondContact O-N 3.03Å; E461-A464 PolarHBondContact O-N 3.49Å; A464-L467 CarbonylContact O-C 3.57Å; A464-L467 VanDerWaalsContact O-CA 3.29Å; A464-L467 WeakPolarHBondContact O-CA 3.34Å; A464-L467 PolarHBondContact O-N 2.69Å; A464-E468 PolarHBondContact O-N 3.37Å
465	R	54.6	Low	51.4	Low	151 Å²	151	116.5 Å²	116.5	57%	0.57	59%	0.588	S	S	*	*	H	α-helix	trans	-65.1	-41.3	174.5	-72.8	-177.5	-179.7	106.9	10.2	112.9	E461 A462 L467 E468 F469	E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 2.82Å; E461-R465 IonicContact OE1-CZ 3.11Å; E461-R465 IonicContact OE1-NH1 2.7Å; E461-R465 PolarHBondContact OE1-NH1 2.85Å; E461-R465 IonicContact OE1-NH2 2.7Å; E461-R465 PolarHBondContact OE1-NH2 3.46Å; A462-R465 PolarHBondContact O-N 2.98Å; R465-L467 PolarHBondContact O-N 2.95Å; R465-E468 PolarHBondContact O-N 2.89Å; R465-E468 VanDerWaalsContact O-N 3.1Å; R465-F469 PolarHBondContact O-N 2.92Å
466	L	49.4	Very low	50.7	Low	117 Å²	117	118.3 Å²	118.3	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-66.6	-19.5	170.2	-85.4	158.1	0	0	0	113	A462 T463 F469 L470	A462-L466 WeakPolarHBondContact O-CB 3.41Å; A462-L466 PolarHBondContact O-N 2.83Å; T463-L466 CarbonylContact O-C 3.57Å; T463-L466 PolarHBondContact O-N 3.34Å; L466-F469 CarbonylContact O-C 3.59Å; L466-L470 WeakPolarHBondContact O-CA 3.43Å; L466-L470 PolarHBondContact O-N 2.7Å
467	L	50.2	Low	50.2	Low	102 Å²	102	117.8 Å²	117.8	53%	0.534	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.2	19.5	171.8	-64.7	168.9	0	0	0	113	T463 A464 R465 L470	T463-L467 WeakPolarHBondContact O-CA 3.38Å; T463-L467 WeakPolarHBondContact O-CB 3.49Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.47Å; T463-L467 PolarHBondContact O-N 3.5Å; A464-L467 CarbonylContact O-C 3.57Å; A464-L467 VanDerWaalsContact O-CA 3.29Å; A464-L467 WeakPolarHBondContact O-CA 3.34Å; A464-L467 PolarHBondContact O-N 2.69Å; R465-L467 PolarHBondContact O-N 2.95Å; L467-L470 HydrophobicContact CB-CG 3.95Å; L467-L470 HydrophobicContact CD2-CD2 3.73Å; L467-L470 HydrophobicContact CD2-CG 3.7Å; L467-L470 HydrophobicContact CG-CG 4.45Å; L467-L470 WeakPolarHBondContact O-CB 3.35Å; L467-L470 WeakPolarHBondContact O-CD1 3.31Å; L467-L470 VanDerWaalsContact O-CG 3.28Å; L467-L470 WeakPolarHBondContact O-CG 3.49Å
468	E	48.8	Very low	49.3	Very low	171 Å²	171	117.9 Å²	117.9	80%	0.799	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-31.8	156.5	-76.3	-172.3	125.8	0	0	110	A464 R465 L470	A464-E468 PolarHBondContact O-N 3.37Å; R465-E468 PolarHBondContact O-N 2.89Å; R465-E468 VanDerWaalsContact O-N 3.1Å; E468-L470 PolarHBondContact O-N 3.37Å
469	F	44.6	Very low	48	Very low	147 Å²	147	122.6 Å²	122.6	65%	0.645	63%	0.634	S	S	*	*	S	Bend	trans	-62	-12.8	150.7	-144.9	-91.4	0	0	0	112.2	R465 L466 N471 S472	R465-F469 PolarHBondContact O-N 2.92Å; L466-F469 CarbonylContact O-C 3.59Å; F469-N471 PolarHBondContact O-N 3.37Å; F469-N471 VanDerWaalsContact O-N 3.1Å; F469-S472 WeakPolarHBondContact O-CB 3.47Å; F469-S472 PolarHBondContact O-N 3.21Å; F469-S472 VanDerWaalsContact O-N 3.08Å
470	L	47.4	Very low	46.6	Very low	73 Å²	73	122.6 Å²	122.6	38%	0.382	65%	0.647	S	S	.	*			trans	-7.5	-77.8	-179.9	-143.1	-174.5	0	0	0	115.5	L466 L467 E468 S472 G473	L466-L470 WeakPolarHBondContact O-CA 3.43Å; L466-L470 PolarHBondContact O-N 2.7Å; L467-L470 HydrophobicContact CB-CG 3.95Å; L467-L470 HydrophobicContact CD2-CD2 3.73Å; L467-L470 HydrophobicContact CD2-CG 3.7Å; L467-L470 HydrophobicContact CG-CG 4.45Å; L467-L470 WeakPolarHBondContact O-CB 3.35Å; L467-L470 WeakPolarHBondContact O-CD1 3.31Å; L467-L470 VanDerWaalsContact O-CG 3.28Å; L467-L470 WeakPolarHBondContact O-CG 3.49Å; E468-L470 PolarHBondContact O-N 3.37Å; L470-S472 PolarHBondContact O-N 3.23Å; L470-G473 PolarHBondContact O-N 3.32Å
471	N	51.9	Low	45.2	Very low	148 Å²	148	120.9 Å²	120.9	79%	0.791	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	48.1	-169.8	-68.3	-55.7	0	0	0	109.6	F469	F469-N471 PolarHBondContact O-N 3.37Å; F469-N471 VanDerWaalsContact O-N 3.1Å
472	S	33.8	Very low	44	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.6	0	162.3	-64.9	0	0	0	0	115.6	F469 L470	F469-S472 WeakPolarHBondContact O-CB 3.47Å; F469-S472 PolarHBondContact O-N 3.21Å; F469-S472 VanDerWaalsContact O-N 3.08Å; L470-S472 PolarHBondContact O-N 3.23Å
473	G	34	Very low	42.5	Very low	46 Å²	46	128.6 Å²	128.6	47%	0.474	69%	0.694	S	S	.	*				0	0	0	0	0	0	0	0	135.8	L470	L470-G473 PolarHBondContact O-N 3.32Å
474	R	38.2	Very low	41.6	Very low	252 Å²	252	130.8 Å²	130.8	95%	0.951	72%	0.719	S	S	*	*				0	0	0	-61.5	143.9	-149.5	159.6	9.7	133.7
475	K	39.9	Very low	40.6	Very low	212 Å²	212	134.7 Å²	134.7	92%	0.922	74%	0.743	S	S	*	*				0	0	0	-132.8	-116.1	169.7	-164.2	0	133.9
476	S	45.4	Very low	39.7	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	76%	0.759	S	S	*	*				0	0	0	78.5	0	0	0	0	124.9
477	S	51	Low	39.1	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	77%	0.773	S	S	*	*				0	0	0	-53	0	0	0	0	118.9
478	T	46.4	Very low	38.4	Very low	134 Å²	134	136.5 Å²	136.5	82%	0.822	79%	0.791	S	S	*	*				0	0	0	38.4	0	0	0	0	119
479	D	33.4	Very low	37.8	Very low	156 Å²	156	138 Å²	138	83%	0.834	80%	0.797	S	S	*	*				0	0	0	-81.4	-114.5	0	0	0	119.3
480	S	29.2	Very low	37.5	Very low	116 Å²	116	135.5 Å²	135.5	81%	0.811	80%	0.804	S	S	*	*				0	0	0	62.2	0	0	0	0	120.3
481	L	30	Very low	37.1	Very low	162 Å²	162	137.4 Å²	137.4	85%	0.848	83%	0.831	S	S	*	*				0	0	0	-69.8	166	0	0	0	120.6
482	L	32.5	Very low	36.5	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	83%	0.834	S	S	*	*				0	0	0	-69	176.4	0	0	0	126.1
483	T	24.8	Very low	36.8	Very low	156 Å²	156	140.6 Å²	140.6	96%	0.957	85%	0.846	S	S	*	*				0	0	0	65.6	0	0	0	0	134.5
484	A	33.3	Very low	37.2	Very low	109 Å²	109	143.6 Å²	143.6	90%	0.901	87%	0.866	S	S	*	*				0	0	0	0	0	0	0	0	130.4
485	S	33.8	Very low	37.4	Very low	129 Å²	129	138.3 Å²	138.3	90%	0.902	87%	0.868	S	S	*	*				0	0	0	58.9	0	0	0	0	131.9
486	S	36	Very low	37.6	Very low	127 Å²	127	134.4 Å²	134.4	89%	0.888	87%	0.868	S	S	*	*				0	0	0	60.8	0	0	0	0	133.1
487	V	37	Very low	37.6	Very low	151 Å²	151	139.2 Å²	139.2	92%	0.915	88%	0.882	S	S	*	*				0	0	0	-96.3	0	0	0	0	139.2
488	S	35.9	Very low	37.4	Very low	131 Å²	131	139.1 Å²	139.1	92%	0.916	89%	0.888	S	S	*	*				0	0	0	55.6	0	0	0	0	129.9
489	H	36.3	Very low	37.5	Very low	201 Å²	201	138.1 Å²	138.1	93%	0.931	89%	0.893	S	S	*	*				0	0	0	-171	76.2	0	0	0	129.7
490	A	37.3	Very low	38	Very low	95 Å²	95	139.2 Å²	139.2	79%	0.785	90%	0.897	S	S	*	*				0	0	0	0	0	0	0	0	130.7
491	A	38.1	Very low	38.9	Very low	114 Å²	114	139.2 Å²	139.2	94%	0.942	90%	0.897	S	S	*	*				0	0	0	0	0	0	0	0	130.1
492	N	40	Very low	39.8	Very low	162 Å²	162	139 Å²	139	87%	0.866	90%	0.903	S	S	*	*				0	0	0	-150	-0.3	0	0	0	130.5
493	T	40.7	Very low	40.9	Very low	144 Å²	144	137.4 Å²	137.4	88%	0.883	90%	0.902	S	S	*	*				0	0	0	64.8	0	0	0	0	131.3
494	A	42.5	Very low	41.8	Very low	110 Å²	110	136 Å²	136	91%	0.909	90%	0.899	S	S	*	*				0	0	0	0	0	0	0	0	124.6
495	S	42.4	Very low	42.3	Very low	140 Å²	140	139.4 Å²	139.4	98%	0.979	90%	0.901	S	S	*	*				0	0	0	-160.2	0	0	0	0	129.8
496	S	42.9	Very low	42.7	Very low	131 Å²	131	140.7 Å²	140.7	92%	0.916	90%	0.896	S	S	*	*				0	0	0	-159.9	0	0	0	0	129.5
497	M	46.4	Very low	42.8	Very low	193 Å²	193	141 Å²	141	95%	0.951	89%	0.892	S	S	*	*				0	0	0	-172	169.1	174	0	0	129.3
498	A	45.9	Very low	43	Very low	106 Å²	106	139.4 Å²	139.4	88%	0.876	89%	0.888	S	S	*	*				0	0	0	0	0	0	0	0	129
499	A	48.7	Very low	43.2	Very low	114 Å²	114	139.2 Å²	139.2	94%	0.942	89%	0.886	S	S	*	*				0	0	0	0	0	0	0	0	129.5
500	I	45.3	Very low	43.5	Very low	179 Å²	179	136 Å²	136	92%	0.918	89%	0.887	S	S	*	*				0	0	0	-152.7	163.8	0	0	0	128.1
501	S	47.7	Very low	44.2	Very low	116 Å²	116	138 Å²	138	81%	0.811	89%	0.889	S	S	*	*				0	0	0	-73.6	0	0	0	0	128.4
502	T	48.4	Very low	44.4	Very low	156 Å²	156	139.1 Å²	139.1	96%	0.957	88%	0.879	S	S	*	*				0	0	0	38	0	0	0	0	131.9
503	P	56.2	Low	44.4	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	87%	0.871	S	S	*	*				0	0	0	44.6	-20.5	0	0	0	130.8
504	S	43.9	Very low	44.4	Very low	128 Å²	128	137.5 Å²	137.5	90%	0.895	86%	0.864	S	S	*	*				0	0	0	-75.6	0	0	0	0	128.6
505	L	42	Very low	44.2	Very low	180 Å²	180	139.8 Å²	139.8	94%	0.942	86%	0.857	S	S	*	*				0	0	0	-61.5	-178.9	0	0	0	123.2
506	I	42.5	Very low	43.9	Very low	156 Å²	156	138.3 Å²	138.3	80%	0.8	84%	0.841	S	S	*	*				0	0	0	-27.4	167	0	0	0	117.7
507	T	39.1	Very low	43.6	Very low	133 Å²	133	137 Å²	137	82%	0.816	84%	0.839	S	S	*	*				0	0	0	-10.3	0	0	0	0	118
508	S	41.3	Very low	43.2	Very low	118 Å²	118	131.9 Å²	131.9	83%	0.825	84%	0.835	S	S	*	*				0	0	0	53.3	0	0	0	0	122.8
509	S	40.8	Very low	42.7	Very low	126 Å²	126	131 Å²	131	88%	0.881	84%	0.837	S	S	*	*				0	0	0	62.4	0	0	0	0	128.7
510	S	42.1	Very low	41.9	Very low	135 Å²	135	130.9 Å²	130.9	94%	0.944	84%	0.836	S	S	*	*				0	0	0	-56.8	0	0	0	0	127
511	T	51.4	Low	41.3	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	83%	0.833	S	S	*	*				0	-172.3	0	62.1	0	0	0	0	123.1
512	N	41.5	Very low	40.6	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	83%	0.834	S	S	*	*			trans	170.6	-178	151.7	-98.2	29.2	0	0	0	114.4
513	D	40.3	Very low	39.8	Very low	129 Å²	129	131.8 Å²	131.8	69%	0.69	83%	0.825	S	S	*	*			cis	-172.3	-178.1	-2.8	-102.1	-28.9	0	0	0	110.9
514	L	40.6	Very low	38.6	Very low	143 Å²	143	132.7 Å²	132.7	75%	0.749	83%	0.829	S	S	*	*			cis	178.5	145.1	-28	-176	58.8	0	0	0	117.2
515	E	38.3	Very low	38.1	Very low	159 Å²	159	136.2 Å²	136.2	74%	0.743	83%	0.831	S	S	*	*			trans	64.1	174.1	159.8	-71.7	-77.1	-90.4	0	0	126.2
516	T	37	Very low	37.7	Very low	108 Å²	108	133.5 Å²	133.5	66%	0.663	83%	0.827	S	S	*	*				-176.6	159.5	-56.5	-86.2	0	0	0	0	118.8
517	A	36.8	Very low	37.3	Very low	104 Å²	104	131.6 Å²	131.6	86%	0.86	83%	0.828	S	S	*	*			trans	76.7	165.7	162.4	0	0	0	0	0	124.3
518	G	37.3	Very low	37	Very low	85 Å²	85	129.2 Å²	129.2	88%	0.876	81%	0.807	S	S	*	*			cis	169.6	161.9	-9.5	0	0	0	0	0	117
519	G	35.2	Very low	36.7	Very low	88 Å²	88	133 Å²	133	91%	0.907	81%	0.805	S	S	*	*			trans	172.4	166.1	174.1	0	0	0	0	0	123.3
520	A	32.6	Very low	36.3	Very low	111 Å²	111	133.7 Å²	133.7	92%	0.917	80%	0.798	S	S	*	*			trans	-162.9	175.2	-179.6	0	0	0	0	0	117.8
521	E	32.4	Very low	36.1	Very low	186 Å²	186	133.3 Å²	133.3	87%	0.869	79%	0.789	S	S	*	*			trans	-137.2	173.7	-169.7	-81.5	-161.9	146.3	0	0	119.2
522	L	32.4	Very low	35.2	Very low	159 Å²	159	136.3 Å²	136.3	83%	0.832	79%	0.794	S	S	*	*			trans	-151.2	129.7	-179.1	-114.4	103.8	0	0	0	119
523	T	32.5	Very low	34.7	Very low	125 Å²	125	133 Å²	133	77%	0.767	79%	0.792	S	S	*	*			trans	49.2	146	141	62.1	0	0	0	0	126.4
524	T	30.9	Very low	34.3	Very low	141 Å²	141	134.7 Å²	134.7	87%	0.865	80%	0.801	S	S	*	*			trans	-145.8	167.2	165.7	55.5	0	0	0	0	114.2
525	H	34.2	Very low	33.8	Very low	201 Å²	201	134.9 Å²	134.9	93%	0.931	80%	0.803	S	S	*	*			trans	-142.8	161.8	173.3	-87	-52.2	0	0	0	111.7
526	S	32.5	Very low	33.5	Very low	124 Å²	124	133.1 Å²	133.1	87%	0.867	81%	0.808	S	S	*	*			trans	-147.6	171.1	-179.5	-167.7	0	0	0	0	113.4
527	S	33.9	Very low	33.1	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	82%	0.82	S	S	*	*			trans	-145.5	169.4	-176	-165.8	0	0	0	0	113
528	H	34.1	Very low	32.9	Very low	83 Å²	83	132.3 Å²	132.3	38%	0.384	81%	0.811	S	S	.	*			trans	-131.3	157.2	-160.6	-146.9	-85.8	0	0	0	114	R42	R42-H528 VanDerWaalsContact CG-CD2 3.49Å; R42-H528 WeakPolarHBondContact CG-CD2 3.42Å; R42-H528 WeakPolarHBondContact CG-NE2 3.44Å
529	Y	34.8	Very low	32.8	Very low	198 Å²	198	137.3 Å²	137.3	78%	0.776	82%	0.816	S	S	*	*			trans	-127.4	-179.7	172	-96	-83.1	0	0	0	113
530	L	32.3	Very low	33.2	Very low	140 Å²	140	137 Å²	137	73%	0.733	80%	0.799	S	S	*	*			trans	-136.4	153.2	-167.3	-82	160.9	0	0	0	111.4
531	V	37.3	Very low	34.3	Very low	127 Å²	127	135 Å²	135	77%	0.77	77%	0.773	S	S	*	*			trans	-122.4	139.7	170.1	177.5	0	0	0	0	109.6
532	Q	31.9	Very low	35.3	Very low	198 Å²	198	130 Å²	130	93%	0.925	75%	0.752	S	S	*	*			trans	-84.1	146.6	-178.8	-65	173	-55.3	0	0	112
533	G	31	Very low	36.6	Very low	67 Å²	67	123 Å²	123	69%	0.691	72%	0.716	S	S	*	*			trans	-116.3	135.3	171.6	0	0	0	0	0	111.9
534	D	33.1	Very low	37.8	Very low	165 Å²	165	123.1 Å²	123.1	88%	0.882	71%	0.707	S	S	*	*			trans	-80.7	137.9	176.9	-85.7	-48.3	0	0	0	112.4
535	N	28.5	Very low	39.1	Very low	147 Å²	147	117.1 Å²	117.1	79%	0.786	67%	0.671	S	S	*	*			trans	-96.8	118.8	171.8	-87.5	-74.4	0	0	0	110.8
536	S	32.5	Very low	40.2	Very low	123 Å²	123	113.5 Å²	113.5	86%	0.86	65%	0.652	S	S	*	*			trans	-130.7	133	156.4	65.1	0	0	0	0	110.3
537	S	28.8	Very low	41.1	Very low	130 Å²	130	115.4 Å²	115.4	91%	0.909	65%	0.647	S	S	*	*			trans	-125.3	91.2	-175.9	61.5	0	0	0	0	110.2
538	G	33.4	Very low	42.2	Very low	65 Å²	65	112.6 Å²	112.6	67%	0.67	62%	0.621	S	S	*	*			trans	-144.9	153	173.9	0	0	0	0	0	109.5	S540	G538-S540 PolarHBondContact O-N 2.85Å
539	I	35.4	Very low	43.3	Very low	190 Å²	190	115.3 Å²	115.3	97%	0.974	64%	0.637	S	S	*	*	S	Bend	trans	-94.1	83.2	-175.5	-56.3	177.9	0	0	0	109.6
540	S	42	Very low	44.5	Very low	80 Å²	80	108 Å²	108	56%	0.559	61%	0.611	S	S	*	*			trans	-148.3	132.4	151	71.1	0	0	0	0	109	G538 D542	G538-S540 PolarHBondContact O-N 2.85Å; S540-D542 WeakPolarHBondContact CB-OD2 3.46Å; S540-D542 PolarHBondContact O-N 3.09Å; S540-D542 VanDerWaalsContact O-N 3.07Å; S540-D542 PolarHBondContact OG-OD2 2.96Å
541	D	56.3	Low	46.2	Very low	70 Å²	70	105 Å²	105	37%	0.374	60%	0.598	S	S	.	*			trans	-85.6	65.6	178	-76.7	-36.2	0	0	0	109	F260 K288 L291	F260-D541 HydrophobicContact CD1-CB 4.47Å; F260-D541 HydrophobicContact CE1-CB 3.73Å; F260-D541 HydrophobicContact CZ-CB 3.9Å; F260-D541 WeakPolarHBondContact CZ-OD2 3.47Å; K288-D541 IonicContact NZ-OD1 2.91Å; K288-D541 IonicContact NZ-OD2 3.13Å; K288-D541 PolarHBondContact NZ-OD2 3.04Å; L291-D541 HydrophobicContact CD2-CB 3.81Å; L291-D541 WeakPolarHBondContact CD2-O 3.17Å
542	D	53.4	Low	47.8	Very low	81 Å²	81	104.1 Å²	104.1	43%	0.433	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.7	148.2	179.5	-70.1	-62.2	0	0	0	112.5	H257 S259 S540	H257-D542 IonicContact CE1-OD1 2.94Å; H257-D542 PolarHBondContact CE1-OD1 3.49Å; S259-D542 WeakPolarHBondContact CB-OD1 3.45Å; S259-D542 PolarHBondContact OG-OD1 3.06Å; S259-D542 VanDerWaalsContact OG-OD1 3.11Å; S540-D542 WeakPolarHBondContact CB-OD2 3.46Å; S540-D542 PolarHBondContact O-N 3.09Å; S540-D542 VanDerWaalsContact O-N 3.07Å; S540-D542 PolarHBondContact OG-OD2 2.96Å
543	F	60.5	Low	49.8	Very low	13 Å²	13	99.9 Å²	99.9	6%	0.057	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.1	112.3	166.4	173	-121.8	0	0	0	111.2	H257 V258 L291 K295 H298 P545	H257-F543 PolarHBondContact CD2-O 2.96Å; V258-F543 HydrophobicContact CB-CD1 4.47Å; V258-F543 PolarHBondContact N-O 2.72Å; V258-F543 PolarHBondContact O-N 3.37Å; L291-F543 HydrophobicContact CD1-CB 3.94Å; K295-F543 HydrophobicContact CB-CD1 4.07Å; K295-F543 HydrophobicContact CB-CD2 4.03Å; K295-F543 HydrophobicContact CB-CE1 4.27Å; K295-F543 HydrophobicContact CB-CE2 4.24Å; K295-F543 HydrophobicContact CB-CG 3.94Å; K295-F543 HydrophobicContact CB-CZ 4.34Å; K295-F543 HydrophobicContact CD-CD2 3.74Å; K295-F543 HydrophobicContact CD-CE2 4.15Å; K295-F543 HydrophobicContact CD-CG 4.3Å; K295-F543 HydrophobicContact CG-CD2 3.65Å; K295-F543 HydrophobicContact CG-CE2 3.66Å; K295-F543 HydrophobicContact CG-CG 4.1Å; K295-F543 HydrophobicContact CG-CZ 4.1Å; H298-F543 HydrophobicContact CB-CE1 3.9Å; H298-F543 HydrophobicContact CB-CZ 4.18Å; H298-F543 AromaticContact CG-CE1 3.89Å; H298-F543 AromaticContact ND1-CE1 3.9Å; H298-F543 AromaticContact ND1-CZ 3.56Å; F543-P545 HydrophobicContact CD1-CG 4.34Å; F543-P545 HydrophobicContact CE1-CG 3.79Å; F543-P545 HydrophobicContact CZ-CG 4.14Å; F543-P545 WeakPolarHBondContact O-CD 3.25Å
544	E	55.9	Low	52	Low	127 Å²	127	100.6 Å²	100.6	59%	0.593	56%	0.558	S	S	*	*			trans	-100	103.7	169.2	-159.7	144.2	-108.1	0	0	109.9	H257 R268 K546	H257-E544 IonicContact CD2-OE1 3.66Å; R268-E544 IonicContact CZ-OE1 3.7Å; R268-E544 IonicContact NH2-OE1 3.4Å; R268-E544 PolarHBondContact NH2-OE1 2.81Å; E544-K546 PolarHBondContact O-N 3.43Å
545	P	58.9	Low	53.9	Low	15 Å²	15	93 Å²	93	10%	0.097	52%	0.518	C	S	.	.			trans	-31.8	129.2	161.1	-42.8	40.7	0	0	0	115.5	R256 H298 F543	R256-P545 VanDerWaalsContact O-CD 3.23Å; R256-P545 WeakPolarHBondContact O-CD 3.3Å; R256-P545 WeakPolarHBondContact O-CG 3.27Å; H298-P545 VanDerWaalsContact CE1-CB 3.42Å; H298-P545 WeakPolarHBondContact CE1-CB 3.42Å; F543-P545 HydrophobicContact CD1-CG 4.34Å; F543-P545 HydrophobicContact CE1-CG 3.79Å; F543-P545 HydrophobicContact CZ-CG 4.14Å; F543-P545 WeakPolarHBondContact O-CD 3.25Å
546	K	57.1	Low	56.2	Low	124 Å²	124	91.5 Å²	91.5	54%	0.539	51%	0.506	S	S	.	.			trans	-57.6	137.6	164.4	-67.3	166.3	-179	153.1	0	108.9	D299 M302 E544	D299-K546 IonicContact OD1-NZ 3.87Å; D299-K546 IonicContact OD2-NZ 3.53Å; D299-K546 PolarHBondContact OD2-NZ 3.18Å; M302-K546 WeakPolarHBondContact CE-O 3.37Å; E544-K546 PolarHBondContact O-N 3.43Å
547	E	51.3	Low	58.6	Low	164 Å²	164	91.7 Å²	91.7	77%	0.766	49%	0.493	S	S	*	.			trans	-59.9	149.1	-174.4	-65.4	-170.5	126.3	0	0	113.7	I549	E547-I549 PolarHBondContact O-N 3.18Å
548	F	56.9	Low	60.9	Low	57 Å²	57	87.8 Å²	87.8	25%	0.25	46%	0.461	C	S	.	.			trans	-72.4	105.1	173.3	-67.4	-90.5	0	0	0	109	N253 V270 H298 M302 L550 M555	N253-F548 HydrophobicContact CB-CE1 4.06Å; N253-F548 HydrophobicContact CB-CZ 4.41Å; V270-F548 HydrophobicContact CG2-CE2 4.4Å; H298-F548 AromaticContact NE2-CZ 3.98Å; M302-F548 HydrophobicContact CE-CB 4.47Å; M302-F548 HydrophobicContact CE-CD1 3.44Å; M302-F548 VanDerWaalsContact CE-CD1 3.44Å; M302-F548 HydrophobicContact CE-CD2 3.86Å; M302-F548 HydrophobicContact CE-CE1 3.35Å; M302-F548 HydrophobicContact CE-CE2 3.78Å; M302-F548 HydrophobicContact CE-CG 3.68Å; M302-F548 HydrophobicContact CE-CZ 3.51Å; M302-F548 HydrophobicContact SD-CD1 3.7Å; M302-F548 HydrophobicContact SD-CE1 3.37Å; M302-F548 WeakPolarHBondContact SD-CE1 3.36Å; M302-F548 HydrophobicContact SD-CZ 3.97Å; F548-L550 VanDerWaalsContact C-N 3.31Å; F548-M555 HydrophobicContact CD1-CE 3.57Å; F548-M555 HydrophobicContact CD1-SD 3.59Å; F548-M555 VanDerWaalsContact CD1-SD 3.59Å; F548-M555 HydrophobicContact CE1-CE 3.88Å; F548-M555 HydrophobicContact CE1-SD 3.47Å; F548-M555 WeakPolarHBondContact CE1-SD 3.47Å
549	I	58	Low	63.1	Low	141 Å²	141	85.2 Å²	85.2	72%	0.723	43%	0.433	S	S	*	.			trans	-74.7	-27.9	175.2	-57.8	175.6	0	0	0	110.6	E547	E547-I549 PolarHBondContact O-N 3.18Å
550	L	59.4	Low	65.2	Low	44 Å²	44	79.1 Å²	79.1	23%	0.23	40%	0.402	C	S	.	.	S	Bend	trans	-83.9	150.7	172.7	-65.3	-172.9	0	0	0	111.1	R305 F548 E554 M555 I558	R305-L550 WeakPolarHBondContact O-CD1 3.41Å; F548-L550 VanDerWaalsContact C-N 3.31Å; L550-E554 HydrophobicContact CB-CB 4.1Å; L550-E554 HydrophobicContact CD1-CB 4.21Å; L550-E554 HydrophobicContact CD2-CB 4.26Å; L550-E554 HydrophobicContact CG-CB 4.43Å; L550-M555 HydrophobicContact CD1-CE 4.4Å; L550-I558 HydrophobicContact CD1-CD1 3.52Å
551	T	67.7	Low	67	Low	77 Å²	77	80.4 Å²	80.4	47%	0.472	40%	0.399	S	S	.	.			trans	-67.8	156.9	163.9	64	0	0	0	0	111.3	N553 E554 M555	T551-N553 PolarHBondContact O-N 2.66Å; T551-E554 WeakPolarHBondContact CB-OE2 3.23Å; T551-E554 WeakPolarHBondContact CG2-OE2 3.5Å; T551-E554 PolarHBondContact N-OE2 3.2Å; T551-E554 PolarHBondContact O-N 2.73Å; T551-E554 VanDerWaalsContact O-N 3.1Å; T551-E554 WeakPolarHBondContact OG1-CG 3.46Å; T551-E554 PolarHBondContact OG1-N 2.86Å; T551-E554 PolarHBondContact OG1-OE2 2.63Å; T551-M555 PolarHBondContact O-N 2.89Å
552	D	71.2	Confident	67.9	Low	109 Å²	109	79.4 Å²	79.4	58%	0.583	39%	0.393	S	S	*	.	H	α-helix	trans	-53.2	-39	175.3	-60	-42.4	0	0	0	111.7	M555 E556	D552-M555 PolarHBondContact O-N 2.87Å; D552-E556 WeakPolarHBondContact O-CB 3.38Å; D552-E556 PolarHBondContact O-N 3.45Å
553	N	73.9	Confident	68.9	Low	109 Å²	109	78.2 Å²	78.2	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-63.3	-41.8	178.2	-69.3	-20.2	0	0	0	113.3	T551 Q557	T551-N553 PolarHBondContact O-N 2.66Å; N553-Q557 WeakPolarHBondContact O-CB 3.37Å; N553-Q557 VanDerWaalsContact O-CG 3.25Å; N553-Q557 WeakPolarHBondContact O-CG 3.45Å; N553-Q557 PolarHBondContact O-N 3.4Å; N553-Q557 PolarHBondContact O-NE2 2.89Å
554	E	76.8	Confident	69.7	Low	82 Å²	82	84.5 Å²	84.5	38%	0.383	41%	0.408	S	S	.	.	H	α-helix	trans	-70.3	-38.6	177.3	-70.4	160.8	122.6	0	0	110.7	L550 T551 Q557 I558	L550-E554 HydrophobicContact CB-CB 4.1Å; L550-E554 HydrophobicContact CD1-CB 4.21Å; L550-E554 HydrophobicContact CD2-CB 4.26Å; L550-E554 HydrophobicContact CG-CB 4.43Å; T551-E554 WeakPolarHBondContact CB-OE2 3.23Å; T551-E554 WeakPolarHBondContact CG2-OE2 3.5Å; T551-E554 PolarHBondContact N-OE2 3.2Å; T551-E554 PolarHBondContact O-N 2.73Å; T551-E554 VanDerWaalsContact O-N 3.1Å; T551-E554 WeakPolarHBondContact OG1-CG 3.46Å; T551-E554 PolarHBondContact OG1-N 2.86Å; T551-E554 PolarHBondContact OG1-OE2 2.63Å; E554-Q557 PolarHBondContact O-N 3.29Å; E554-I558 WeakPolarHBondContact O-CG1 3.46Å; E554-I558 PolarHBondContact O-N 3.2Å
555	M	74.8	Confident	70.5	Confident	5 Å²	5	81.4 Å²	81.4	3%	0.025	40%	0.396	C	S	.	.	H	α-helix	trans	-65.4	-39.1	175.2	-175.7	143.9	-59.5	0	0	112.7	N253 Y301 M302 R305 F548 L550 T551 D552 T559	N253-M555 HydrophobicContact CB-CG 4.22Å; N253-M555 HydrophobicContact CB-SD 3.52Å; N253-M555 VanDerWaalsContact CB-SD 3.52Å; Y301-M555 HydrophobicContact CE1-SD 4.01Å; M302-M555 HydrophobicContact SD-CE 4.24Å; R305-M555 HydrophobicContact CB-CE 3.78Å; R305-M555 HydrophobicContact CG-CE 4.29Å; F548-M555 HydrophobicContact CD1-CE 3.57Å; F548-M555 HydrophobicContact CD1-SD 3.59Å; F548-M555 VanDerWaalsContact CD1-SD 3.59Å; F548-M555 HydrophobicContact CE1-CE 3.88Å; F548-M555 HydrophobicContact CE1-SD 3.47Å; F548-M555 WeakPolarHBondContact CE1-SD 3.47Å; L550-M555 HydrophobicContact CD1-CE 4.4Å; T551-M555 PolarHBondContact O-N 2.89Å; D552-M555 PolarHBondContact O-N 2.87Å; M555-T559 WeakPolarHBondContact O-CB 3.49Å; M555-T559 PolarHBondContact O-N 3.04Å; M555-T559 PolarHBondContact O-OG1 3.46Å
556	E	76.7	Confident	71.1	Confident	115 Å²	115	81 Å²	81	54%	0.537	39%	0.393	S	S	.	.	H	α-helix	trans	-67.1	-41.1	174.1	-152.3	-156.1	133.1	0	0	110.9	D552 T559 N560	D552-E556 WeakPolarHBondContact O-CB 3.38Å; D552-E556 PolarHBondContact O-N 3.45Å; E556-T559 PolarHBondContact O-N 3.28Å; E556-N560 VanDerWaalsContact O-CB 3.25Å; E556-N560 WeakPolarHBondContact O-CB 3.31Å; E556-N560 VanDerWaalsContact O-CG 3.28Å; E556-N560 PolarHBondContact O-N 3.43Å; E556-N560 PolarHBondContact O-ND2 3.13Å; E556-N560 PolarHBondContact OE1-ND2 3.49Å
557	Q	81.7	Confident	71.7	Confident	127 Å²	127	79.1 Å²	79.1	59%	0.593	39%	0.388	S	S	*	.	H	α-helix	trans	-59.5	-50.6	175.6	-78.7	169.1	54.2	0	0	112.5	N553 E554 T559 N560 E561	N553-Q557 WeakPolarHBondContact O-CB 3.37Å; N553-Q557 VanDerWaalsContact O-CG 3.25Å; N553-Q557 WeakPolarHBondContact O-CG 3.45Å; N553-Q557 PolarHBondContact O-N 3.4Å; N553-Q557 PolarHBondContact O-NE2 2.89Å; E554-Q557 PolarHBondContact O-N 3.29Å; Q557-T559 VanDerWaalsContact C-N 3.3Å; Q557-T559 PolarHBondContact O-N 3.03Å; Q557-N560 PolarHBondContact O-N 3Å; Q557-E561 WeakPolarHBondContact O-CB 3.49Å; Q557-E561 PolarHBondContact O-N 3.37Å
558	I	78.5	Confident	72.5	Confident	48 Å²	48	73.6 Å²	73.6	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-40.4	177.8	-64	166.4	0	0	0	110.8	R305 L550 E554 E561 M562	R305-I558 HydrophobicContact CB-CD1 4.49Å; R305-I558 HydrophobicContact CG-CB 4.48Å; R305-I558 HydrophobicContact CG-CG2 3.96Å; L550-I558 HydrophobicContact CD1-CD1 3.52Å; E554-I558 WeakPolarHBondContact O-CG1 3.46Å; E554-I558 PolarHBondContact O-N 3.2Å; I558-E561 PolarHBondContact O-N 2.76Å; I558-M562 HydrophobicContact CG2-CE 4.16Å; I558-M562 WeakPolarHBondContact O-CG 3.41Å; I558-M562 PolarHBondContact O-N 3.22Å
559	T	79.3	Confident	73.2	Confident	12 Å²	12	72.6 Å²	72.6	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-41.6	178.1	-55.9	0	0	0	0	111.6	R305 M555 E556 Q557 E561 M562 E563	R305-T559 PolarHBondContact NE-OG1 3.43Å; R305-T559 VanDerWaalsContact NE-OG1 3.1Å; R305-T559 PolarHBondContact NH2-OG1 3.31Å; M555-T559 WeakPolarHBondContact O-CB 3.49Å; M555-T559 PolarHBondContact O-N 3.04Å; M555-T559 PolarHBondContact O-OG1 3.46Å; E556-T559 PolarHBondContact O-N 3.28Å; Q557-T559 VanDerWaalsContact C-N 3.3Å; Q557-T559 PolarHBondContact O-N 3.03Å; T559-E561 VanDerWaalsContact C-N 3.31Å; T559-E561 PolarHBondContact O-N 2.87Å; T559-M562 PolarHBondContact O-N 2.89Å; T559-E563 WeakPolarHBondContact O-CB 3.21Å; T559-E563 WeakPolarHBondContact O-CG 3.24Å; T559-E563 PolarHBondContact O-N 2.61Å
560	N	79	Confident	73.6	Confident	61 Å²	61	67.2 Å²	67.2	33%	0.326	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-28.7	174.3	-78.9	-45.8	0	0	0	112.8	E556 Q557 R564	E556-N560 VanDerWaalsContact O-CB 3.25Å; E556-N560 WeakPolarHBondContact O-CB 3.31Å; E556-N560 VanDerWaalsContact O-CG 3.28Å; E556-N560 PolarHBondContact O-N 3.43Å; E556-N560 PolarHBondContact O-ND2 3.13Å; E556-N560 PolarHBondContact OE1-ND2 3.49Å; Q557-N560 PolarHBondContact O-N 3Å; N560-R564 VanDerWaalsContact O-CB 3.26Å; N560-R564 WeakPolarHBondContact O-CB 3.27Å; N560-R564 PolarHBondContact O-N 3.01Å
561	E	79.6	Confident	73.7	Confident	107 Å²	107	72.1 Å²	72.1	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-72.7	-47.2	174	-173	171.1	-175.1	0	0	111.6	Q557 I558 T559 E563 R564 N565	Q557-E561 WeakPolarHBondContact O-CB 3.49Å; Q557-E561 PolarHBondContact O-N 3.37Å; I558-E561 PolarHBondContact O-N 2.76Å; T559-E561 VanDerWaalsContact C-N 3.31Å; T559-E561 PolarHBondContact O-N 2.87Å; E561-E563 PolarHBondContact O-N 2.76Å; E561-R564 WeakPolarHBondContact O-CB 3.48Å; E561-R564 PolarHBondContact O-N 3.46Å; E561-R564 VanDerWaalsContact O-N 3.08Å; E561-N565 PolarHBondContact O-N 2.63Å; E561-N565 PolarHBondContact O-OD1 2.73Å
562	M	75.1	Confident	73.5	Confident	49 Å²	49	73.8 Å²	73.8	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-42.1	174.8	-66.7	-173.1	-59.1	0	0	112.1	R305 I558 T559 R564 H566	R305-M562 VanDerWaalsContact CZ-CE 3.5Å; I558-M562 HydrophobicContact CG2-CE 4.16Å; I558-M562 WeakPolarHBondContact O-CG 3.41Å; I558-M562 PolarHBondContact O-N 3.22Å; T559-M562 PolarHBondContact O-N 2.89Å; M562-R564 VanDerWaalsContact C-N 3.32Å; M562-R564 PolarHBondContact O-N 3.42Å; M562-H566 WeakPolarHBondContact O-CB 3.41Å; M562-H566 PolarHBondContact O-N 3.48Å
563	E	75.5	Confident	73.6	Confident	56 Å²	56	69.1 Å²	69.1	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-37.5	172.1	-76.2	-171.4	-166.2	0	0	112	T559 E561 L567 K621	T559-E563 WeakPolarHBondContact O-CB 3.21Å; T559-E563 WeakPolarHBondContact O-CG 3.24Å; T559-E563 PolarHBondContact O-N 2.61Å; E561-E563 PolarHBondContact O-N 2.76Å; E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 WeakPolarHBondContact O-CD1 3.4Å; E563-L567 VanDerWaalsContact O-CG 3.23Å; E563-L567 WeakPolarHBondContact O-CG 3.44Å; E563-L567 PolarHBondContact O-N 3.03Å; E563-K621 IonicContact OE1-NZ 2.66Å; E563-K621 PolarHBondContact OE1-NZ 3.28Å
564	R	76.8	Confident	73.8	Confident	145 Å²	145	71 Å²	71	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-48.3	177.5	-175	-176.8	-63.8	109.6	0.3	112.1	N560 E561 M562 H566 L567 D568	N560-R564 VanDerWaalsContact O-CB 3.26Å; N560-R564 WeakPolarHBondContact O-CB 3.27Å; N560-R564 PolarHBondContact O-N 3.01Å; E561-R564 WeakPolarHBondContact O-CB 3.48Å; E561-R564 PolarHBondContact O-N 3.46Å; E561-R564 VanDerWaalsContact O-N 3.08Å; M562-R564 VanDerWaalsContact C-N 3.32Å; M562-R564 PolarHBondContact O-N 3.42Å; R564-H566 VanDerWaalsContact C-N 3.25Å; R564-H566 PolarHBondContact O-N 3.26Å; R564-L567 CarbonylContact O-C 3.56Å; R564-L567 PolarHBondContact O-N 3.45Å; R564-L567 VanDerWaalsContact O-N 3.13Å; R564-D568 PolarHBondContact O-N 2.7Å
565	N	71.4	Confident	74.1	Confident	62 Å²	62	73.4 Å²	73.4	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-39.5	-179.8	-68.2	6.2	0	0	0	111	E101 E561 D568 Y569	E101-N565 PolarHBondContact OE1-ND2 2.68Å; E561-N565 PolarHBondContact O-N 2.63Å; E561-N565 PolarHBondContact O-OD1 2.73Å; N565-D568 PolarHBondContact O-N 3.32Å; N565-Y569 PolarHBondContact O-N 3.44Å
566	H	72	Confident	74.7	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-44	174	179.8	77.8	0	0	0	112.6	D207 M562 R564 D568 Y569 L570 Y614	D207-H566 IonicContact OD1-CE1 3.79Å; D207-H566 PolarHBondContact OD1-CE1 3.22Å; D207-H566 IonicContact OD1-NE2 3.17Å; M562-H566 WeakPolarHBondContact O-CB 3.41Å; M562-H566 PolarHBondContact O-N 3.48Å; R564-H566 VanDerWaalsContact C-N 3.25Å; R564-H566 PolarHBondContact O-N 3.26Å; H566-D568 VanDerWaalsContact C-N 3.29Å; H566-D568 PolarHBondContact O-N 2.81Å; H566-Y569 WeakPolarHBondContact O-CB 3.3Å; H566-Y569 PolarHBondContact O-N 2.78Å; H566-L570 WeakPolarHBondContact NE2-CD1 3.38Å; H566-L570 PolarHBondContact O-N 3.4Å; H566-Y614 AromaticContact CD2-CE1 3.8Å; H566-Y614 AromaticContact CD2-CZ 3.8Å; H566-Y614 AromaticContact CE1-CE2 3.97Å; H566-Y614 AromaticContact CE1-CZ 3.65Å; H566-Y614 PolarHBondContact CE1-OH 3.36Å; H566-Y614 AromaticContact NE2-CD2 3.74Å; H566-Y614 AromaticContact NE2-CE1 3.64Å; H566-Y614 AromaticContact NE2-CE2 3.19Å; H566-Y614 WeakPolarHBondContact NE2-CE2 3.43Å; H566-Y614 AromaticContact NE2-CZ 3.13Å; H566-Y614 PolarHBondContact NE2-OH 3.18Å
567	L	69.8	Low	75.1	Confident	84 Å²	84	73.2 Å²	73.2	44%	0.44	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-31.9	174.2	-74.5	167.6	0	0	0	113	E563 R564 L570 R571	E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 WeakPolarHBondContact O-CD1 3.4Å; E563-L567 VanDerWaalsContact O-CG 3.23Å; E563-L567 WeakPolarHBondContact O-CG 3.44Å; E563-L567 PolarHBondContact O-N 3.03Å; R564-L567 CarbonylContact O-C 3.56Å; R564-L567 PolarHBondContact O-N 3.45Å; R564-L567 VanDerWaalsContact O-N 3.13Å; L567-L570 HydrophobicContact CD2-CD1 4.19Å; L567-L570 PolarHBondContact O-N 3.18Å; L567-R571 WeakPolarHBondContact O-CB 3.42Å; L567-R571 PolarHBondContact O-N 2.95Å
568	D	69.5	Low	75.5	Confident	48 Å²	48	70.4 Å²	70.4	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-69.2	-37	173.2	-84.2	-41.7	0	0	0	111.7	R564 N565 H566 R571 N572	R564-D568 PolarHBondContact O-N 2.7Å; N565-D568 PolarHBondContact O-N 3.32Å; H566-D568 VanDerWaalsContact C-N 3.29Å; H566-D568 PolarHBondContact O-N 2.81Å; D568-R571 PolarHBondContact O-N 3.17Å; D568-R571 IonicContact OD1-CZ 2.64Å; D568-R571 IonicContact OD1-NE 2.91Å; D568-R571 IonicContact OD1-NH1 3.46Å; D568-R571 PolarHBondContact OD1-NH1 3.47Å; D568-R571 IonicContact OD1-NH2 2.56Å; D568-R571 PolarHBondContact OD1-NH2 2.97Å; D568-N572 WeakPolarHBondContact O-CB 3.3Å; D568-N572 PolarHBondContact O-N 3.17Å; D568-N572 PolarHBondContact O-ND2 2.83Å; D568-N572 VanDerWaalsContact O-ND2 3.16Å; D568-N572 PolarHBondContact O-OD1 2.8Å
569	Y	70.2	Confident	76.1	Confident	35 Å²	35	68.5 Å²	68.5	14%	0.137	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-53.8	167	170.4	-103.8	0	0	0	110.9	E200 K203 N565 H566 R571 N572 S573	E200-Y569 WeakPolarHBondContact OE1-CE2 3.33Å; E200-Y569 VanDerWaalsContact OE1-CZ 3.31Å; E200-Y569 PolarHBondContact OE1-OH 3.16Å; K203-Y569 HydrophobicContact CB-CE1 3.92Å; K203-Y569 HydrophobicContact CB-CE2 4.38Å; K203-Y569 HydrophobicContact CD-CD2 4.4Å; K203-Y569 HydrophobicContact CD-CE2 3.77Å; K203-Y569 HydrophobicContact CG-CE2 4.47Å; N565-Y569 PolarHBondContact O-N 3.44Å; H566-Y569 WeakPolarHBondContact O-CB 3.3Å; H566-Y569 PolarHBondContact O-N 2.78Å; Y569-R571 VanDerWaalsContact C-N 3.26Å; Y569-R571 PolarHBondContact O-N 3.25Å; Y569-N572 CarbonylContact O-C 3.58Å; Y569-N572 PolarHBondContact O-N 3.27Å; Y569-S573 WeakPolarHBondContact O-CB 3.39Å; Y569-S573 PolarHBondContact O-N 2.79Å; Y569-S573 PolarHBondContact OH-OG 2.62Å
570	L	66.2	Low	76.7	Confident	29 Å²	29	69.3 Å²	69.3	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-54.5	-39.2	177.9	-80.5	170.2	0	0	0	113.2	D207 H566 L567 S573 Q577 Y614	D207-L570 WeakPolarHBondContact OD2-CD2 3.42Å; H566-L570 WeakPolarHBondContact NE2-CD1 3.38Å; H566-L570 PolarHBondContact O-N 3.4Å; L567-L570 HydrophobicContact CD2-CD1 4.19Å; L567-L570 PolarHBondContact O-N 3.18Å; L570-S573 PolarHBondContact O-N 3.46Å; L570-Q577 PolarHBondContact O-NE2 2.81Å; L570-Q577 VanDerWaalsContact O-NE2 3.12Å; L570-Y614 HydrophobicContact CD1-CD2 4.08Å; L570-Y614 HydrophobicContact CD1-CE2 4.4Å
571	R	62.3	Low	77.4	Confident	147 Å²	147	72.9 Å²	72.9	56%	0.555	35%	0.346	S	S	*	.	H	α-helix	trans	-72.1	-31.4	177.3	-168	-164.5	66	-141.1	-11.8	112.8	L567 D568 Y569	L567-R571 WeakPolarHBondContact O-CB 3.42Å; L567-R571 PolarHBondContact O-N 2.95Å; D568-R571 PolarHBondContact O-N 3.17Å; D568-R571 IonicContact OD1-CZ 2.64Å; D568-R571 IonicContact OD1-NE 2.91Å; D568-R571 IonicContact OD1-NH1 3.46Å; D568-R571 PolarHBondContact OD1-NH1 3.47Å; D568-R571 IonicContact OD1-NH2 2.56Å; D568-R571 PolarHBondContact OD1-NH2 2.97Å; Y569-R571 VanDerWaalsContact C-N 3.26Å; Y569-R571 PolarHBondContact O-N 3.25Å
572	N	63.1	Low	78.1	Confident	111 Å²	111	70.2 Å²	70.2	59%	0.594	34%	0.337	S	S	*	.	H	α-helix	trans	-79.9	-27.5	176.2	-63.7	-15.3	0	0	0	111.2	D568 Y569 K574	D568-N572 WeakPolarHBondContact O-CB 3.3Å; D568-N572 PolarHBondContact O-N 3.17Å; D568-N572 PolarHBondContact O-ND2 2.83Å; D568-N572 VanDerWaalsContact O-ND2 3.16Å; D568-N572 PolarHBondContact O-OD1 2.8Å; Y569-N572 CarbonylContact O-C 3.58Å; Y569-N572 PolarHBondContact O-N 3.27Å; N572-K574 PolarHBondContact O-N 3.46Å
573	S	74.4	Confident	79	Confident	12 Å²	12	67.9 Å²	67.9	8%	0.084	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	32.4	179	-144.9	0	0	0	0	114.3	Y569 L570 Q575 V576 Q577	Y569-S573 WeakPolarHBondContact O-CB 3.39Å; Y569-S573 PolarHBondContact O-N 2.79Å; Y569-S573 PolarHBondContact OH-OG 2.62Å; L570-S573 PolarHBondContact O-N 3.46Å; S573-Q575 PolarHBondContact O-N 3.43Å; S573-V576 PolarHBondContact O-N 2.88Å; S573-V576 VanDerWaalsContact OG-CB 3.32Å; S573-V576 WeakPolarHBondContact OG-CB 3.25Å; S573-V576 VanDerWaalsContact OG-CG2 3.24Å; S573-V576 WeakPolarHBondContact OG-CG2 3.22Å; S573-Q577 WeakPolarHBondContact O-CG 3.33Å; S573-Q577 PolarHBondContact O-N 3.3Å
574	K	77.9	Confident	79.9	Confident	147 Å²	147	69.2 Å²	69.2	64%	0.639	33%	0.328	S	S	*	.	H	α-helix	trans	-59.2	-30.9	172	-72.6	-177.8	-179.8	-176.2	0	112.5	N572 S578	N572-K574 PolarHBondContact O-N 3.46Å; K574-S578 WeakPolarHBondContact O-CB 3.46Å; K574-S578 PolarHBondContact O-N 3.26Å
575	Q	83.3	Confident	80.8	Confident	133 Å²	133	66 Å²	66	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-60.1	-58.9	173.1	-177.4	171	-11.4	0	0	109.7	S573 Q577 S578 Q579	S573-Q575 PolarHBondContact O-N 3.43Å; Q575-Q577 VanDerWaalsContact C-N 3.31Å; Q575-Q577 PolarHBondContact O-N 3.46Å; Q575-S578 CarbonylContact O-C 3.59Å; Q575-S578 WeakPolarHBondContact O-CA 3.35Å; Q575-S578 WeakPolarHBondContact O-CB 3.5Å; Q575-S578 PolarHBondContact O-N 2.91Å; Q575-Q579 HydrophobicContact CG-CG 4.44Å; Q575-Q579 WeakPolarHBondContact O-CG 3.36Å; Q575-Q579 PolarHBondContact O-N 2.83Å
576	V	85.5	Confident	81.9	Confident	14 Å²	14	65.6 Å²	65.6	9%	0.085	32%	0.324	C	S	.	.	H	α-helix	trans	-55.9	-43	177.3	177	0	0	0	0	112	L134 I204 S573 S578 Q579 L580	L134-V576 HydrophobicContact CD2-CG1 3.88Å; I204-V576 HydrophobicContact CD1-CG1 3.88Å; I204-V576 HydrophobicContact CD1-CG2 4.1Å; I204-V576 HydrophobicContact CG1-CG1 4.07Å; S573-V576 PolarHBondContact O-N 2.88Å; S573-V576 VanDerWaalsContact OG-CB 3.32Å; S573-V576 WeakPolarHBondContact OG-CB 3.25Å; S573-V576 VanDerWaalsContact OG-CG2 3.24Å; S573-V576 WeakPolarHBondContact OG-CG2 3.22Å; V576-S578 VanDerWaalsContact C-N 3.31Å; V576-S578 PolarHBondContact O-N 2.84Å; V576-Q579 PolarHBondContact O-N 3.26Å; V576-L580 HydrophobicContact CG1-CD1 3.88Å; V576-L580 HydrophobicContact CG1-CG 4.18Å; V576-L580 WeakPolarHBondContact O-CB 3.28Å; V576-L580 VanDerWaalsContact O-CG 3.27Å; V576-L580 WeakPolarHBondContact O-CG 3.29Å; V576-L580 PolarHBondContact O-N 2.71Å
577	Q	86	Confident	83	Confident	103 Å²	103	65.2 Å²	65.2	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-41.3	175.5	-70.7	173.3	9.5	0	0	112.3	L570 S573 Q575 Q581	L570-Q577 PolarHBondContact O-NE2 2.81Å; L570-Q577 VanDerWaalsContact O-NE2 3.12Å; S573-Q577 WeakPolarHBondContact O-CG 3.33Å; S573-Q577 PolarHBondContact O-N 3.3Å; Q575-Q577 VanDerWaalsContact C-N 3.31Å; Q575-Q577 PolarHBondContact O-N 3.46Å; Q577-Q581 WeakPolarHBondContact O-CB 3.39Å; Q577-Q581 PolarHBondContact O-N 3.29Å
578	S	90.1	Very high	84.1	Confident	68 Å²	68	63.8 Å²	63.8	48%	0.476	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-40.8	174.2	-164.8	0	0	0	0	112.2	K574 Q575 V576 Q581 T582	K574-S578 WeakPolarHBondContact O-CB 3.46Å; K574-S578 PolarHBondContact O-N 3.26Å; Q575-S578 CarbonylContact O-C 3.59Å; Q575-S578 WeakPolarHBondContact O-CA 3.35Å; Q575-S578 WeakPolarHBondContact O-CB 3.5Å; Q575-S578 PolarHBondContact O-N 2.91Å; V576-S578 VanDerWaalsContact C-N 3.31Å; V576-S578 PolarHBondContact O-N 2.84Å; S578-Q581 PolarHBondContact O-N 3.17Å; S578-T582 WeakPolarHBondContact O-CB 3.49Å; S578-T582 PolarHBondContact O-N 3.18Å; S578-T582 PolarHBondContact O-OG1 3.45Å
579	Q	90.6	Very high	85.4	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-46.6	177.7	-64.8	175.7	-61.9	0	0	111	L134 W185 Q575 V576 Q581 T582 L583	L134-Q579 HydrophobicContact CD2-CB 4.24Å; W185-Q579 HydrophobicContact CE3-CB 4.39Å; W185-Q579 HydrophobicContact CE3-CG 4Å; W185-Q579 HydrophobicContact CH2-CB 3.99Å; W185-Q579 HydrophobicContact CH2-CG 3.81Å; W185-Q579 HydrophobicContact CZ2-CB 4.37Å; W185-Q579 HydrophobicContact CZ3-CB 4.04Å; W185-Q579 HydrophobicContact CZ3-CG 3.47Å; W185-Q579 VanDerWaalsContact CZ3-CG 3.47Å; Q575-Q579 HydrophobicContact CG-CG 4.44Å; Q575-Q579 WeakPolarHBondContact O-CG 3.36Å; Q575-Q579 PolarHBondContact O-N 2.83Å; V576-Q579 PolarHBondContact O-N 3.26Å; Q579-Q581 PolarHBondContact O-N 3.02Å; Q579-T582 PolarHBondContact O-N 2.89Å; Q579-L583 WeakPolarHBondContact O-CB 3.28Å; Q579-L583 PolarHBondContact O-N 2.79Å
580	L	92.4	Very high	86.5	Confident	28 Å²	28	67.3 Å²	67.3	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-40.6	175.2	-67.9	173.7	0	0	0	112.2	E130 A131 L134 V576 R584	E130-L580 HydrophobicContact CG-CB 4.41Å; E130-L580 HydrophobicContact CG-CD2 4.21Å; A131-L580 HydrophobicContact CB-CD2 4.02Å; L134-L580 HydrophobicContact CB-CD2 4.22Å; L134-L580 HydrophobicContact CD2-CD2 3.82Å; L134-L580 HydrophobicContact CD2-CG 4.03Å; V576-L580 HydrophobicContact CG1-CD1 3.88Å; V576-L580 HydrophobicContact CG1-CG 4.18Å; V576-L580 WeakPolarHBondContact O-CB 3.28Å; V576-L580 VanDerWaalsContact O-CG 3.27Å; V576-L580 WeakPolarHBondContact O-CG 3.29Å; V576-L580 PolarHBondContact O-N 2.71Å; L580-R584 VanDerWaalsContact O-CB 3.28Å; L580-R584 WeakPolarHBondContact O-CB 3.44Å; L580-R584 PolarHBondContact O-N 3.23Å
581	Q	92.9	Very high	87.9	Confident	137 Å²	137	68.3 Å²	68.3	64%	0.64	35%	0.351	S	S	*	.	H	α-helix	trans	-65.7	-40.8	175.9	-177.7	175	-6.8	0	0	112	Q577 S578 Q579 S585	Q577-Q581 WeakPolarHBondContact O-CB 3.39Å; Q577-Q581 PolarHBondContact O-N 3.29Å; S578-Q581 PolarHBondContact O-N 3.17Å; Q579-Q581 PolarHBondContact O-N 3.02Å; Q581-S585 WeakPolarHBondContact O-CB 3.17Å; Q581-S585 PolarHBondContact O-N 3.08Å; Q581-S585 VanDerWaalsContact O-N 3.09Å; Q581-S585 PolarHBondContact O-OG 3.12Å
582	T	94.7	Very high	89.4	Confident	51 Å²	51	64 Å²	64	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-54.4	174.6	-61	0	0	0	0	110.3	W185 S578 Q579 R584 S585 E586	W185-T582 HydrophobicContact CH2-CG2 4.36Å; W185-T582 HydrophobicContact CZ2-CG2 3.95Å; S578-T582 WeakPolarHBondContact O-CB 3.49Å; S578-T582 PolarHBondContact O-N 3.18Å; S578-T582 PolarHBondContact O-OG1 3.45Å; Q579-T582 PolarHBondContact O-N 2.89Å; T582-R584 VanDerWaalsContact C-N 3.34Å; T582-R584 PolarHBondContact O-N 2.84Å; T582-S585 WeakPolarHBondContact O-CA 3.41Å; T582-S585 WeakPolarHBondContact O-CB 3.33Å; T582-S585 PolarHBondContact O-N 3.45Å; T582-E586 HydrophobicContact CG2-CG 4.4Å; T582-E586 VanDerWaalsContact CG2-OE1 3.31Å; T582-E586 WeakPolarHBondContact CG2-OE1 3.48Å; T582-E586 WeakPolarHBondContact O-CG 3.4Å; T582-E586 PolarHBondContact O-N 3.43Å
583	L	94.4	Very high	90.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-53.7	-46.6	176.8	-85.8	167.2	0	0	0	113.2	E130 V133 L134 W185 Q579 S585 E586 I587	E130-L583 HydrophobicContact CB-CB 3.85Å; E130-L583 WeakPolarHBondContact O-CD1 2.94Å; V133-L583 HydrophobicContact CB-CD1 4.23Å; V133-L583 HydrophobicContact CB-CD2 3.99Å; V133-L583 HydrophobicContact CG1-CD1 4.24Å; V133-L583 HydrophobicContact CG1-CD2 3.53Å; L134-L583 HydrophobicContact CB-CD1 3.86Å; W185-L583 HydrophobicContact CG-CD1 4.47Å; W185-L583 HydrophobicContact CZ2-CG 4.26Å; Q579-L583 WeakPolarHBondContact O-CB 3.28Å; Q579-L583 PolarHBondContact O-N 2.79Å; L583-S585 VanDerWaalsContact C-N 3.28Å; L583-S585 PolarHBondContact O-N 3.43Å; L583-E586 WeakPolarHBondContact O-CB 3.21Å; L583-E586 PolarHBondContact O-N 2.86Å; L583-E586 VanDerWaalsContact O-N 3.16Å; L583-I587 WeakPolarHBondContact O-CG1 3.35Å; L583-I587 PolarHBondContact O-N 3.42Å
584	R	94.5	Very high	91.6	Very high	83 Å²	83	72.5 Å²	72.5	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-38.8	178	-167.1	179	-178.7	-149	-1.1	111.8	E130 L580 T582 E586 A588 E604	E130-R584 HydrophobicContact CB-CB 3.95Å; E130-R584 HydrophobicContact CG-CB 3.98Å; E130-R584 HydrophobicContact CG-CG 4.45Å; E130-R584 WeakPolarHBondContact OE1-CD 3.48Å; E130-R584 IonicContact OE1-NE 3.91Å; L580-R584 VanDerWaalsContact O-CB 3.28Å; L580-R584 WeakPolarHBondContact O-CB 3.44Å; L580-R584 PolarHBondContact O-N 3.23Å; T582-R584 VanDerWaalsContact C-N 3.34Å; T582-R584 PolarHBondContact O-N 2.84Å; R584-E586 VanDerWaalsContact C-N 3.34Å; R584-A588 WeakPolarHBondContact O-CB 3.33Å; R584-A588 PolarHBondContact O-N 3.04Å; R584-E604 IonicContact CZ-OE2 3.61Å; R584-E604 IonicContact NH2-OE1 2.7Å; R584-E604 PolarHBondContact NH2-OE1 3.27Å; R584-E604 IonicContact NH2-OE2 3.15Å; R584-E604 PolarHBondContact NH2-OE2 3.04Å
585	S	95.9	Very high	92.4	Very high	79 Å²	79	69.6 Å²	69.6	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-70.1	-31.8	176.9	-53.5	0	0	0	0	112.4	Q581 T582 L583 P589	Q581-S585 WeakPolarHBondContact O-CB 3.17Å; Q581-S585 PolarHBondContact O-N 3.08Å; Q581-S585 VanDerWaalsContact O-N 3.09Å; Q581-S585 PolarHBondContact O-OG 3.12Å; T582-S585 WeakPolarHBondContact O-CA 3.41Å; T582-S585 WeakPolarHBondContact O-CB 3.33Å; T582-S585 PolarHBondContact O-N 3.45Å; L583-S585 VanDerWaalsContact C-N 3.28Å; L583-S585 PolarHBondContact O-N 3.43Å; S585-P589 WeakPolarHBondContact O-CD 3.41Å
586	E	94.8	Very high	92.8	Very high	52 Å²	52	65 Å²	65	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-76.3	-37.1	-179.7	-78.9	-179.3	-173.6	0	0	114.3	R181 T582 L583 R584	R181-E586 WeakPolarHBondContact CD-OE2 3.46Å; R181-E586 IonicContact CZ-OE2 2.85Å; R181-E586 IonicContact NE-OE2 3.98Å; R181-E586 IonicContact NH1-OE1 3.8Å; R181-E586 IonicContact NH1-OE2 3.26Å; R181-E586 PolarHBondContact NH1-OE2 3Å; R181-E586 PolarHBondContact NH2-O 2.93Å; T582-E586 HydrophobicContact CG2-CG 4.4Å; T582-E586 VanDerWaalsContact CG2-OE1 3.31Å; T582-E586 WeakPolarHBondContact CG2-OE1 3.48Å; T582-E586 WeakPolarHBondContact O-CG 3.4Å; T582-E586 PolarHBondContact O-N 3.43Å; L583-E586 WeakPolarHBondContact O-CB 3.21Å; L583-E586 PolarHBondContact O-N 2.86Å; L583-E586 VanDerWaalsContact O-N 3.16Å; R584-E586 VanDerWaalsContact C-N 3.34Å
587	I	94.4	Very high	93.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-89.5	-27.4	-178.8	68.4	-171.8	0	0	0	112.8	P129 E130 Y171 M173 W178 L583 P589 H590	P129-I587 HydrophobicContact CB-CD1 3.63Å; E130-I587 HydrophobicContact CB-CD1 4.35Å; Y171-I587 HydrophobicContact CD1-CB 4.13Å; Y171-I587 VanDerWaalsContact CD1-O 3.27Å; Y171-I587 WeakPolarHBondContact CD1-O 3.5Å; Y171-I587 HydrophobicContact CE1-CB 3.81Å; Y171-I587 HydrophobicContact CE1-CD1 4.16Å; Y171-I587 HydrophobicContact CE1-CG1 3.7Å; Y171-I587 VanDerWaalsContact CE1-O 3.29Å; Y171-I587 WeakPolarHBondContact CE1-O 3.26Å; M173-I587 HydrophobicContact CE-CG2 4.5Å; M173-I587 HydrophobicContact SD-CB 4.34Å; M173-I587 HydrophobicContact SD-CG2 4.16Å; W178-I587 HydrophobicContact CH2-CG2 4.44Å; W178-I587 HydrophobicContact CZ3-CG2 4Å; L583-I587 WeakPolarHBondContact O-CG1 3.35Å; L583-I587 PolarHBondContact O-N 3.42Å; I587-P589 VanDerWaalsContact C-N 3.34Å; I587-H590 PolarHBondContact O-N 3.39Å
588	A	94.1	Very high	93.6	Very high	54 Å²	54	65.7 Å²	65.7	45%	0.446	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-51.1	-37.9	-177.7	0	0	0	0	0	115.7	R584 H590 K591	R584-A588 WeakPolarHBondContact O-CB 3.33Å; R584-A588 PolarHBondContact O-N 3.04Å; A588-H590 PolarHBondContact O-N 2.95Å; A588-H590 VanDerWaalsContact O-N 3.13Å; A588-K591 WeakPolarHBondContact O-CB 3.37Å; A588-K591 PolarHBondContact O-N 3.03Å
589	P	95.3	Very high	93.9	Very high	102 Å²	102	64.4 Å²	64.4	66%	0.662	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.4	-18.8	176.9	-25.1	36	0	0	0	115	S585 I587	S585-P589 WeakPolarHBondContact O-CD 3.41Å; I587-P589 VanDerWaalsContact C-N 3.34Å
590	H	94.2	Very high	94.1	Very high	56 Å²	56	64.4 Å²	64.4	26%	0.259	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-100.4	-0.3	-179	-61.1	-88.1	0	0	0	113.3	Y171 Q172 M173 M177 I587 A588	Y171-H590 CarbonylContact C-O 2.99Å; Y171-H590 WeakPolarHBondContact CA-O 3.45Å; Y171-H590 HydrophobicContact CD1-CB 4.22Å; Q172-H590 PolarHBondContact N-O 2.85Å; Q172-H590 PolarHBondContact O-ND1 3.29Å; M173-H590 HydrophobicContact CG-CB 3.63Å; M173-H590 HydrophobicContact SD-CB 4.11Å; M177-H590 VanDerWaalsContact CE-CE1 3.46Å; M177-H590 WeakPolarHBondContact CE-CE1 3.32Å; I587-H590 PolarHBondContact O-N 3.39Å; A588-H590 PolarHBondContact O-N 2.95Å; A588-H590 VanDerWaalsContact O-N 3.13Å
591	K	95.3	Very high	94.2	Very high	49 Å²	49	67.8 Å²	67.8	21%	0.213	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-71.9	130.9	-170.1	-166.9	177.6	171.1	-139	0	112.4	Y171 A588 E593	Y171-K591 HydrophobicContact CD1-CB 3.9Å; Y171-K591 HydrophobicContact CD1-CG 4.33Å; Y171-K591 HydrophobicContact CE1-CB 3.58Å; Y171-K591 HydrophobicContact CE1-CD 4.29Å; Y171-K591 HydrophobicContact CE1-CG 3.8Å; A588-K591 WeakPolarHBondContact O-CB 3.37Å; A588-K591 PolarHBondContact O-N 3.03Å; K591-E593 VanDerWaalsContact CD-OE1 3.31Å; K591-E593 WeakPolarHBondContact CD-OE1 3.37Å; K591-E593 VanDerWaalsContact CE-OE1 3.26Å; K591-E593 WeakPolarHBondContact CE-OE1 3.34Å; K591-E593 IonicContact NZ-OE1 2.79Å; K591-E593 PolarHBondContact NZ-OE1 3.05Å; K591-E593 IonicContact NZ-OE2 3.21Å
592	I	94.3	Very high	94.4	Very high	56 Å²	56	63.1 Å²	63.1	29%	0.287	34%	0.337	S	S	.	.			trans	-95.9	96	176	-54.6	172	0	0	0	107.6	Q170 Q172 E594 N595	Q170-I592 PolarHBondContact O-N 3.35Å; Q172-I592 HydrophobicContact CB-CD1 4.27Å; Q172-I592 HydrophobicContact CB-CG1 4.38Å; I592-E594 PolarHBondContact O-N 3.31Å; I592-E594 VanDerWaalsContact O-N 3.13Å; I592-N595 HydrophobicContact CB-CB 4.33Å; I592-N595 HydrophobicContact CG2-CB 4.17Å; I592-N595 PolarHBondContact O-N 3.23Å
593	E	91.7	Very high	94.4	Very high	118 Å²	118	60.9 Å²	60.9	55%	0.551	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.2	-173.8	-73	-69.9	121.6	0	0	113.5	K591 N595 Q596	K591-E593 VanDerWaalsContact CD-OE1 3.31Å; K591-E593 WeakPolarHBondContact CD-OE1 3.37Å; K591-E593 VanDerWaalsContact CE-OE1 3.26Å; K591-E593 WeakPolarHBondContact CE-OE1 3.34Å; K591-E593 IonicContact NZ-OE1 2.79Å; K591-E593 PolarHBondContact NZ-OE1 3.05Å; K591-E593 IonicContact NZ-OE2 3.21Å; E593-N595 VanDerWaalsContact C-N 3.29Å; E593-N595 PolarHBondContact O-N 3.46Å; E593-Q596 PolarHBondContact O-NE2 3.23Å; E593-Q596 PolarHBondContact OE2-NE2 2.91Å
594	E	92.3	Very high	94.4	Very high	185 Å²	185	62.8 Å²	62.8	86%	0.864	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.2	-21.4	179	-61.3	-173.9	167.8	0	0	114	I592	I592-E594 PolarHBondContact O-N 3.31Å; I592-E594 VanDerWaalsContact O-N 3.13Å
595	N	93.6	Very high	94.4	Very high	85 Å²	85	61.5 Å²	61.5	46%	0.455	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-91.9	-0.5	-175.9	-71.7	2.2	0	0	0	113.5	D169 Q170 I592 E593	D169-N595 PolarHBondContact O-ND2 2.95Å; Q170-N595 HydrophobicContact CG-CB 4.27Å; Q170-N595 WeakPolarHBondContact CG-O 3.34Å; I592-N595 HydrophobicContact CB-CB 4.33Å; I592-N595 HydrophobicContact CG2-CB 4.17Å; I592-N595 PolarHBondContact O-N 3.23Å; E593-N595 VanDerWaalsContact C-N 3.29Å; E593-N595 PolarHBondContact O-N 3.46Å
596	Q	92.9	Very high	94.2	Very high	38 Å²	38	58.3 Å²	58.3	18%	0.178	32%	0.315	C	S	.	.			trans	-62.5	136	-178.9	-76.8	172	103.2	0	0	112.8	E593 D600 I601	E593-Q596 PolarHBondContact O-NE2 3.23Å; E593-Q596 PolarHBondContact OE2-NE2 2.91Å; Q596-D600 HydrophobicContact CB-CB 4.31Å; Q596-D600 HydrophobicContact CG-CB 4.38Å; Q596-I601 HydrophobicContact CB-CG1 4.31Å
597	S	93.7	Very high	94.1	Very high	42 Å²	42	58.4 Å²	58.4	29%	0.294	32%	0.317	S	S	.	.			trans	-78.1	163.6	169.8	85.6	0	0	0	0	111.3	L599 D600 I601	S597-L599 PolarHBondContact O-N 3.5Å; S597-L599 VanDerWaalsContact O-N 3.16Å; S597-L599 PolarHBondContact OG-N 3.46Å; S597-L599 VanDerWaalsContact OG-N 3.15Å; S597-D600 WeakPolarHBondContact CA-OD2 3.23Å; S597-D600 WeakPolarHBondContact CB-OD2 3.41Å; S597-D600 PolarHBondContact N-OD2 3.01Å; S597-D600 PolarHBondContact O-N 2.56Å; S597-D600 VanDerWaalsContact O-N 3.11Å; S597-D600 PolarHBondContact OG-N 2.81Å; S597-D600 PolarHBondContact OG-OD2 3.09Å; S597-I601 PolarHBondContact O-N 3.02Å
598	N	94.7	Very high	94	Very high	88 Å²	88	65.9 Å²	65.9	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-56.2	-28.1	171	177.5	88.7	0	0	0	112.7	R241 L602	R241-N598 PolarHBondContact O-ND2 3.11Å; N598-L602 WeakPolarHBondContact ND2-CD1 3.4Å; N598-L602 WeakPolarHBondContact O-CB 3.45Å; N598-L602 WeakPolarHBondContact O-CD1 3.23Å; N598-L602 VanDerWaalsContact O-CG 3.23Å; N598-L602 WeakPolarHBondContact O-CG 3.39Å; N598-L602 PolarHBondContact O-N 3.3Å; N598-L602 VanDerWaalsContact O-N 3.14Å
599	L	95.5	Very high	94	Very high	41 Å²	41	66.6 Å²	66.6	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-75.5	-34.9	178.1	-60.5	173	0	0	0	111.9	Y126 L244 S597 L602 S603	Y126-L599 HydrophobicContact CD2-CB 3.6Å; Y126-L599 HydrophobicContact CD2-CD1 4.06Å; Y126-L599 HydrophobicContact CD2-CG 4.47Å; Y126-L599 HydrophobicContact CE2-CB 3.83Å; Y126-L599 HydrophobicContact CG-CB 4.01Å; Y126-L599 HydrophobicContact CG-CD1 4.32Å; L244-L599 HydrophobicContact CD1-CB 4.44Å; L244-L599 HydrophobicContact CD1-CD2 4.47Å; L244-L599 WeakPolarHBondContact CD1-O 3.48Å; L244-L599 HydrophobicContact CD2-CD2 4.23Å; L244-L599 HydrophobicContact CG-CD2 4.04Å; S597-L599 PolarHBondContact O-N 3.5Å; S597-L599 VanDerWaalsContact O-N 3.16Å; S597-L599 PolarHBondContact OG-N 3.46Å; S597-L599 VanDerWaalsContact OG-N 3.15Å; L599-L602 PolarHBondContact O-N 3.23Å; L599-S603 WeakPolarHBondContact O-CB 3.39Å; L599-S603 PolarHBondContact O-N 2.91Å
600	D	94.9	Very high	93.7	Very high	9 Å²	9	64.8 Å²	64.8	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-43.8	174.5	-55.3	-75.1	0	0	0	111.1	Y126 Q170 Q596 S597 L602 S603 E604	Y126-D600 VanDerWaalsContact CE2-OD1 3.31Å; Y126-D600 WeakPolarHBondContact CE2-OD1 3.09Å; Y126-D600 WeakPolarHBondContact OH-CA 3.39Å; Y126-D600 PolarHBondContact OH-OD1 3.2Å; Q170-D600 VanDerWaalsContact NE2-CG 3.26Å; Q170-D600 PolarHBondContact NE2-OD1 3.14Å; Q170-D600 PolarHBondContact NE2-OD2 3.36Å; Q596-D600 HydrophobicContact CB-CB 4.31Å; Q596-D600 HydrophobicContact CG-CB 4.38Å; S597-D600 WeakPolarHBondContact CA-OD2 3.23Å; S597-D600 WeakPolarHBondContact CB-OD2 3.41Å; S597-D600 PolarHBondContact N-OD2 3.01Å; S597-D600 PolarHBondContact O-N 2.56Å; S597-D600 VanDerWaalsContact O-N 3.11Å; S597-D600 PolarHBondContact OG-N 2.81Å; S597-D600 PolarHBondContact OG-OD2 3.09Å; D600-L602 VanDerWaalsContact C-N 3.33Å; D600-L602 PolarHBondContact O-N 3.28Å; D600-S603 PolarHBondContact O-N 3.01Å; D600-E604 VanDerWaalsContact O-CB 3.24Å; D600-E604 WeakPolarHBondContact O-CB 3.4Å; D600-E604 PolarHBondContact O-N 2.97Å
601	I	95.3	Very high	93.5	Very high	99 Å²	99	64.8 Å²	64.8	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-42.5	176.4	-62.4	169.3	0	0	0	111	Q596 S597 A605	Q596-I601 HydrophobicContact CB-CG1 4.31Å; S597-I601 PolarHBondContact O-N 3.02Å; I601-A605 WeakPolarHBondContact O-CB 3.37Å; I601-A605 PolarHBondContact O-N 3.25Å; I601-A605 VanDerWaalsContact O-N 3.1Å
602	L	95.7	Very high	93.1	Very high	38 Å²	38	66 Å²	66	20%	0.199	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-44.2	176.5	-74.1	167.8	0	0	0	112.3	D242 L244 N598 L599 D600 A605 Q606	D242-L602 HydrophobicContact CB-CD1 3.85Å; D242-L602 HydrophobicContact CB-CD2 4.25Å; L244-L602 HydrophobicContact CD1-CB 3.99Å; N598-L602 WeakPolarHBondContact ND2-CD1 3.4Å; N598-L602 WeakPolarHBondContact O-CB 3.45Å; N598-L602 WeakPolarHBondContact O-CD1 3.23Å; N598-L602 VanDerWaalsContact O-CG 3.23Å; N598-L602 WeakPolarHBondContact O-CG 3.39Å; N598-L602 PolarHBondContact O-N 3.3Å; N598-L602 VanDerWaalsContact O-N 3.14Å; L599-L602 PolarHBondContact O-N 3.23Å; D600-L602 VanDerWaalsContact C-N 3.33Å; D600-L602 PolarHBondContact O-N 3.28Å; L602-A605 WeakPolarHBondContact O-CB 3.15Å; L602-A605 PolarHBondContact O-N 2.93Å; L602-Q606 WeakPolarHBondContact O-CG 3.45Å; L602-Q606 PolarHBondContact O-N 3.45Å
603	S	94.7	Very high	92.8	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.028	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-38.9	-179.9	-162.6	0	0	0	0	112	R128 L599 D600 A605 Q606 I607	R128-S603 WeakPolarHBondContact CD-OG 3.47Å; L599-S603 WeakPolarHBondContact O-CB 3.39Å; L599-S603 PolarHBondContact O-N 2.91Å; D600-S603 PolarHBondContact O-N 3.01Å; S603-A605 VanDerWaalsContact C-N 3.29Å; S603-A605 PolarHBondContact O-N 2.71Å; S603-Q606 WeakPolarHBondContact O-CB 3.46Å; S603-Q606 PolarHBondContact O-N 3.38Å; S603-I607 WeakPolarHBondContact O-CG1 3.21Å; S603-I607 PolarHBondContact O-N 3.47Å
604	E	93.7	Very high	92.6	Very high	41 Å²	41	61.8 Å²	61.8	19%	0.192	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-36.1	171.8	-177.8	65.9	-124.7	0	0	111.7	R584 D600 K608	R584-E604 IonicContact CZ-OE2 3.61Å; R584-E604 IonicContact NH2-OE1 2.7Å; R584-E604 PolarHBondContact NH2-OE1 3.27Å; R584-E604 IonicContact NH2-OE2 3.15Å; R584-E604 PolarHBondContact NH2-OE2 3.04Å; D600-E604 VanDerWaalsContact O-CB 3.24Å; D600-E604 WeakPolarHBondContact O-CB 3.4Å; D600-E604 PolarHBondContact O-N 2.97Å; E604-K608 HydrophobicContact CG-CD 4.16Å; E604-K608 WeakPolarHBondContact O-CB 3.41Å; E604-K608 WeakPolarHBondContact O-CD 3.42Å; E604-K608 VanDerWaalsContact O-CG 3.3Å; E604-K608 WeakPolarHBondContact O-CG 2.94Å; E604-K608 PolarHBondContact O-N 2.92Å; E604-K608 WeakPolarHBondContact OE1-CE 3.43Å; E604-K608 IonicContact OE1-NZ 3.24Å; E604-K608 PolarHBondContact OE1-NZ 3.13Å
605	A	95	Very high	92.4	Very high	55 Å²	55	55.2 Å²	55.2	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-67.7	-40.6	174	0	0	0	0	0	112.7	I601 L602 S603 K608 A609	I601-A605 WeakPolarHBondContact O-CB 3.37Å; I601-A605 PolarHBondContact O-N 3.25Å; I601-A605 VanDerWaalsContact O-N 3.1Å; L602-A605 WeakPolarHBondContact O-CB 3.15Å; L602-A605 PolarHBondContact O-N 2.93Å; S603-A605 VanDerWaalsContact C-N 3.29Å; S603-A605 PolarHBondContact O-N 2.71Å; A605-K608 PolarHBondContact O-N 2.64Å; A605-A609 PolarHBondContact O-N 2.89Å
606	Q	93.2	Very high	92.2	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-47.6	173.1	-69	172.9	-31.1	0	0	111.3	T245 L602 S603 K608 A609 G610 E611	T245-Q606 PolarHBondContact OG1-NE2 2.75Å; L602-Q606 WeakPolarHBondContact O-CG 3.45Å; L602-Q606 PolarHBondContact O-N 3.45Å; S603-Q606 WeakPolarHBondContact O-CB 3.46Å; S603-Q606 PolarHBondContact O-N 3.38Å; Q606-K608 VanDerWaalsContact C-N 3.34Å; Q606-K608 PolarHBondContact O-N 2.75Å; Q606-A609 CarbonylContact O-C 3.56Å; Q606-A609 PolarHBondContact O-N 2.64Å; Q606-A609 VanDerWaalsContact O-N 3.09Å; Q606-G610 PolarHBondContact O-N 3.03Å; Q606-G610 VanDerWaalsContact O-N 3.1Å; Q606-E611 PolarHBondContact O-N 2.81Å
607	I	90.8	Very high	92	Very high	54 Å²	54	51 Å²	51	28%	0.277	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-44.6	177.1	-67.6	164.8	0	0	0	111.2	S603 A609 G610	S603-I607 WeakPolarHBondContact O-CG1 3.21Å; S603-I607 PolarHBondContact O-N 3.47Å; I607-A609 VanDerWaalsContact C-N 3.25Å; I607-A609 PolarHBondContact O-N 3.05Å; I607-G610 PolarHBondContact O-N 2.98Å
608	K	93.5	Very high	91.7	Very high	158 Å²	158	55.1 Å²	55.1	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-64.7	-27.6	177.3	-76.5	165.7	176.7	157.8	0	113.3	E604 A605 Q606 G610	E604-K608 HydrophobicContact CG-CD 4.16Å; E604-K608 WeakPolarHBondContact O-CB 3.41Å; E604-K608 WeakPolarHBondContact O-CD 3.42Å; E604-K608 VanDerWaalsContact O-CG 3.3Å; E604-K608 WeakPolarHBondContact O-CG 2.94Å; E604-K608 PolarHBondContact O-N 2.92Å; E604-K608 WeakPolarHBondContact OE1-CE 3.43Å; E604-K608 IonicContact OE1-NZ 3.24Å; E604-K608 PolarHBondContact OE1-NZ 3.13Å; A605-K608 PolarHBondContact O-N 2.64Å; Q606-K608 VanDerWaalsContact C-N 3.34Å; Q606-K608 PolarHBondContact O-N 2.75Å; K608-G610 VanDerWaalsContact C-N 3.33Å
609	A	93.1	Very high	91.5	Very high	68 Å²	68	56.6 Å²	56.6	56%	0.562	31%	0.309	S	S	*	.	H	α-helix	trans	-81.8	-10	172.4	0	0	0	0	0	113.6	A605 Q606 I607 E611	A605-A609 PolarHBondContact O-N 2.89Å; Q606-A609 CarbonylContact O-C 3.56Å; Q606-A609 PolarHBondContact O-N 2.64Å; Q606-A609 VanDerWaalsContact O-N 3.09Å; I607-A609 VanDerWaalsContact C-N 3.25Å; I607-A609 PolarHBondContact O-N 3.05Å; A609-E611 HydrophobicContact CB-CB 4.48Å; A609-E611 HydrophobicContact CB-CG 3.9Å
610	G	89.6	Confident	91.3	Very high	65 Å²	65	56.2 Å²	56.2	67%	0.67	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.3	-171.1	0	0	0	0	0	113.7	Q606 I607 K608	Q606-G610 PolarHBondContact O-N 3.03Å; Q606-G610 VanDerWaalsContact O-N 3.1Å; I607-G610 PolarHBondContact O-N 2.98Å; K608-G610 VanDerWaalsContact C-N 3.33Å
611	E	89	Confident	91	Very high	55 Å²	55	57.8 Å²	57.8	26%	0.257	31%	0.313	S	S	.	.			trans	-93.8	151.4	-178.6	-58	-160	138	0	0	111.6	Q606 A609 K619	Q606-E611 PolarHBondContact O-N 2.81Å; A609-E611 HydrophobicContact CB-CB 4.48Å; A609-E611 HydrophobicContact CB-CG 3.9Å; E611-K619 WeakPolarHBondContact OE1-CD 3.39Å; E611-K619 WeakPolarHBondContact OE1-CE 3.42Å; E611-K619 IonicContact OE1-NZ 2.79Å; E611-K619 PolarHBondContact OE1-NZ 2.91Å; E611-K619 IonicContact OE2-NZ 2.61Å; E611-K619 PolarHBondContact OE2-NZ 2.92Å
612	N	87.2	Confident	90.5	Very high	75 Å²	75	58 Å²	58	40%	0.401	32%	0.324	S	S	.	.			trans	-150	167.3	176.3	66.7	12.4	0	0	0	109.7	Y614 S615 T616	N612-Y614 VanDerWaalsContact C-N 3.27Å; N612-Y614 PolarHBondContact O-N 2.85Å; N612-Y614 PolarHBondContact OD1-N 3.31Å; N612-S615 PolarHBondContact N-OG 3.06Å; N612-S615 PolarHBondContact O-N 3.06Å; N612-S615 VanDerWaalsContact O-N 3.14Å; N612-S615 PolarHBondContact O-OG 3.4Å; N612-S615 WeakPolarHBondContact OD1-CB 3.25Å; N612-S615 PolarHBondContact OD1-N 3.48Å; N612-S615 PolarHBondContact OD1-OG 2.84Å; N612-T616 WeakPolarHBondContact O-CB 3.44Å; N612-T616 PolarHBondContact O-N 3.33Å; N612-T616 PolarHBondContact O-OG1 2.86Å
613	K	89.2	Confident	89.9	Confident	28 Å²	28	57.5 Å²	57.5	12%	0.122	33%	0.328	C	S	.	.	H	α-helix	trans	-32.5	-55.6	177	-168.7	171.8	-170.1	168.1	0	114.4	Q206 D207 L208 D209 Y211 L617	Q206-K613 PolarHBondContact O-NZ 2.92Å; D207-K613 WeakPolarHBondContact O-CD 3.44Å; L208-K613 PolarHBondContact O-NZ 2.79Å; D209-K613 VanDerWaalsContact OD1-CA 3.3Å; D209-K613 WeakPolarHBondContact OD1-CA 2.92Å; D209-K613 WeakPolarHBondContact OD1-CB 3.18Å; D209-K613 PolarHBondContact OD1-N 2.61Å; Y211-K613 PolarHBondContact O-NZ 3.17Å; Y211-K613 VanDerWaalsContact O-NZ 3.16Å; K613-L617 HydrophobicContact CG-CD1 4.29Å; K613-L617 WeakPolarHBondContact O-CB 3.41Å; K613-L617 WeakPolarHBondContact O-CG 3.46Å; K613-L617 PolarHBondContact O-N 3.33Å
614	Y	86.3	Confident	89.8	Confident	57 Å²	57	61 Å²	61	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-76.5	-41.1	-173.5	-55.7	-77.6	0	0	0	114	Q206 D207 H566 L570 N612 K618	Q206-Y614 PolarHBondContact O-OH 2.9Å; D207-Y614 HydrophobicContact CB-CE2 4.29Å; D207-Y614 PolarHBondContact OD1-OH 3.27Å; H566-Y614 AromaticContact CD2-CE1 3.8Å; H566-Y614 AromaticContact CD2-CZ 3.8Å; H566-Y614 AromaticContact CE1-CE2 3.97Å; H566-Y614 AromaticContact CE1-CZ 3.65Å; H566-Y614 PolarHBondContact CE1-OH 3.36Å; H566-Y614 AromaticContact NE2-CD2 3.74Å; H566-Y614 AromaticContact NE2-CE1 3.64Å; H566-Y614 AromaticContact NE2-CE2 3.19Å; H566-Y614 WeakPolarHBondContact NE2-CE2 3.43Å; H566-Y614 AromaticContact NE2-CZ 3.13Å; H566-Y614 PolarHBondContact NE2-OH 3.18Å; L570-Y614 HydrophobicContact CD1-CD2 4.08Å; L570-Y614 HydrophobicContact CD1-CE2 4.4Å; N612-Y614 VanDerWaalsContact C-N 3.27Å; N612-Y614 PolarHBondContact O-N 2.85Å; N612-Y614 PolarHBondContact OD1-N 3.31Å; Y614-K618 VanDerWaalsContact O-CB 3.25Å; Y614-K618 WeakPolarHBondContact O-CB 3.45Å; Y614-K618 PolarHBondContact O-N 2.94Å
615	S	88.2	Confident	89.7	Confident	47 Å²	47	60.5 Å²	60.5	33%	0.329	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-39.8	175.3	55.3	0	0	0	0	111.7	N612 K618 K619	N612-S615 PolarHBondContact N-OG 3.06Å; N612-S615 PolarHBondContact O-N 3.06Å; N612-S615 VanDerWaalsContact O-N 3.14Å; N612-S615 PolarHBondContact O-OG 3.4Å; N612-S615 WeakPolarHBondContact OD1-CB 3.25Å; N612-S615 PolarHBondContact OD1-N 3.48Å; N612-S615 PolarHBondContact OD1-OG 2.84Å; S615-K618 PolarHBondContact O-N 2.77Å; S615-K619 VanDerWaalsContact O-CB 3.27Å; S615-K619 WeakPolarHBondContact O-CB 3.33Å; S615-K619 PolarHBondContact O-N 3.1Å
616	T	90.5	Very high	89.6	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-60	-52.2	172.5	-58.4	0	0	0	0	111	T245 P246 N612 K618 K619 L620	T245-T616 HydrophobicContact CG2-CG2 3.9Å; P246-T616 HydrophobicContact CG-CG2 4.2Å; N612-T616 WeakPolarHBondContact O-CB 3.44Å; N612-T616 PolarHBondContact O-N 3.33Å; N612-T616 PolarHBondContact O-OG1 2.86Å; T616-K618 VanDerWaalsContact C-N 3.34Å; T616-K618 PolarHBondContact O-N 3.01Å; T616-K619 WeakPolarHBondContact O-CB 3.28Å; T616-K619 PolarHBondContact O-N 3.07Å; T616-L620 HydrophobicContact CG2-CD1 4.46Å; T616-L620 WeakPolarHBondContact O-CG 3.47Å; T616-L620 PolarHBondContact O-N 2.85Å
617	L	88.1	Confident	89.7	Confident	30 Å²	30	66.4 Å²	66.4	16%	0.157	38%	0.377	C	S	.	.	H	α-helix	trans	-59.9	-43.1	177.5	-72.6	169.6	0	0	0	111.9	P246 K613 K619 L620 K621	P246-L617 HydrophobicContact CG-CD2 4.3Å; K613-L617 HydrophobicContact CG-CD1 4.29Å; K613-L617 WeakPolarHBondContact O-CB 3.41Å; K613-L617 WeakPolarHBondContact O-CG 3.46Å; K613-L617 PolarHBondContact O-N 3.33Å; L617-K619 PolarHBondContact O-N 3.18Å; L617-L620 PolarHBondContact O-N 3.31Å; L617-K621 VanDerWaalsContact O-CG 3.3Å; L617-K621 WeakPolarHBondContact O-CG 3.39Å; L617-K621 PolarHBondContact O-N 3.48Å
618	K	87.4	Confident	89.9	Confident	129 Å²	129	64.7 Å²	64.7	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-62.8	-40.3	177.3	-174.8	165.8	-174.6	158.3	0	112.9	Y614 S615 T616 K621 S622	Y614-K618 VanDerWaalsContact O-CB 3.25Å; Y614-K618 WeakPolarHBondContact O-CB 3.45Å; Y614-K618 PolarHBondContact O-N 2.94Å; S615-K618 PolarHBondContact O-N 2.77Å; T616-K618 VanDerWaalsContact C-N 3.34Å; T616-K618 PolarHBondContact O-N 3.01Å; K618-K621 PolarHBondContact O-N 3.38Å; K618-S622 PolarHBondContact O-N 3.35Å
619	K	90.9	Very high	89.9	Confident	119 Å²	119	57.2 Å²	57.2	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-46.4	173.2	178.7	-176.6	177.2	-174.6	0	110.8	E611 S615 T616 L617 S622	E611-K619 WeakPolarHBondContact OE1-CD 3.39Å; E611-K619 WeakPolarHBondContact OE1-CE 3.42Å; E611-K619 IonicContact OE1-NZ 2.79Å; E611-K619 PolarHBondContact OE1-NZ 2.91Å; E611-K619 IonicContact OE2-NZ 2.61Å; E611-K619 PolarHBondContact OE2-NZ 2.92Å; S615-K619 VanDerWaalsContact O-CB 3.27Å; S615-K619 WeakPolarHBondContact O-CB 3.33Å; S615-K619 PolarHBondContact O-N 3.1Å; T616-K619 WeakPolarHBondContact O-CB 3.28Å; T616-K619 PolarHBondContact O-N 3.07Å; L617-K619 PolarHBondContact O-N 3.18Å; K619-S622 WeakPolarHBondContact O-CB 3.25Å; K619-S622 PolarHBondContact O-N 2.96Å; K619-S622 PolarHBondContact O-OG 3.07Å
620	L	91.6	Very high	89.9	Confident	32 Å²	32	56 Å²	56	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-41	178.3	-63	175.6	0	0	0	113.4	P246 K247 T249 T616 L617 S622 R628	P246-L620 HydrophobicContact CB-CD1 3.84Å; P246-L620 HydrophobicContact CG-CD1 3.72Å; P246-L620 WeakPolarHBondContact O-CD1 3.12Å; K247-L620 VanDerWaalsContact O-CD2 3.31Å; K247-L620 WeakPolarHBondContact O-CD2 3.43Å; T249-L620 HydrophobicContact CG2-CB 3.74Å; T616-L620 HydrophobicContact CG2-CD1 4.46Å; T616-L620 WeakPolarHBondContact O-CG 3.47Å; T616-L620 PolarHBondContact O-N 2.85Å; L617-L620 PolarHBondContact O-N 3.31Å; L620-S622 PolarHBondContact O-N 3.13Å; L620-R628 WeakPolarHBondContact O-CD 3.48Å
621	K	87.9	Confident	90.1	Very high	42 Å²	42	57 Å²	57	18%	0.183	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-28.2	178	-73.5	175.6	-175.5	-161.6	0	113.6	T249 Q251 E563 L617 K618 G623	T249-K621 HydrophobicContact CG2-CG 4.24Å; Q251-K621 VanDerWaalsContact CD-CE 3.47Å; Q251-K621 VanDerWaalsContact OE1-CD 3.22Å; E563-K621 IonicContact OE1-NZ 2.66Å; E563-K621 PolarHBondContact OE1-NZ 3.28Å; L617-K621 VanDerWaalsContact O-CG 3.3Å; L617-K621 WeakPolarHBondContact O-CG 3.39Å; L617-K621 PolarHBondContact O-N 3.48Å; K618-K621 PolarHBondContact O-N 3.38Å; K621-G623 PolarHBondContact O-N 3.01Å
622	S	84.9	Confident	90.4	Very high	104 Å²	104	54.4 Å²	54.4	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.4	-174	71.5	0	0	0	0	115.2	K618 K619 L620	K618-S622 PolarHBondContact O-N 3.35Å; K619-S622 WeakPolarHBondContact O-CB 3.25Å; K619-S622 PolarHBondContact O-N 2.96Å; K619-S622 PolarHBondContact O-OG 3.07Å; L620-S622 PolarHBondContact O-N 3.13Å
623	G	83.9	Confident	90.6	Very high	27 Å²	27	52.5 Å²	52.5	28%	0.278	29%	0.287	S	S	.	.	S	Bend	trans	-80.1	141.1	175.9	0	0	0	0	0	112.3	K621 R628	K621-G623 PolarHBondContact O-N 3.01Å; G623-R628 VanDerWaalsContact O-CZ 3.3Å; G623-R628 PolarHBondContact O-NE 3.04Å; G623-R628 PolarHBondContact O-NH2 3.11Å
624	S	91.5	Very high	90.7	Very high	77 Å²	77	58.4 Å²	58.4	54%	0.538	32%	0.315	S	S	.	.			trans	-54.8	146.1	171.4	71.8	0	0	0	0	111.6	K626 A627 R628	S624-K626 PolarHBondContact O-N 2.96Å; S624-K626 VanDerWaalsContact O-N 3.13Å; S624-A627 WeakPolarHBondContact O-CB 3.37Å; S624-A627 PolarHBondContact O-N 3.13Å; S624-A627 PolarHBondContact OG-N 2.81Å; S624-R628 PolarHBondContact O-N 2.85Å
625	T	92.1	Very high	91	Very high	31 Å²	31	58.4 Å²	58.4	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-55.2	-36.2	-179.3	-29.5	0	0	0	0	111.7	F250 E254 L269 R628 V629	F250-T625 HydrophobicContact CD1-CG2 3.95Å; F250-T625 HydrophobicContact CE1-CG2 4.2Å; E254-T625 HydrophobicContact CB-CG2 4.29Å; E254-T625 WeakPolarHBondContact OE1-CB 3.35Å; E254-T625 VanDerWaalsContact OE1-CG2 3.23Å; E254-T625 WeakPolarHBondContact OE1-CG2 3.33Å; E254-T625 PolarHBondContact OE1-OG1 3.13Å; L269-T625 HydrophobicContact CD1-CG2 3.77Å; L269-T625 HydrophobicContact CD2-CG2 4.1Å; L269-T625 HydrophobicContact CG-CG2 4.49Å; T625-R628 PolarHBondContact O-N 3.34Å; T625-V629 WeakPolarHBondContact O-CG2 3.23Å; T625-V629 PolarHBondContact O-N 3.39Å
626	K	93.3	Very high	91.1	Very high	139 Å²	139	59 Å²	59	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-59.6	-45.1	173.4	-172.6	178	176.9	179.8	0	113.3	V274 S624 R628 V629 A630	V274-K626 HydrophobicContact CG1-CB 4.12Å; V274-K626 HydrophobicContact CG1-CG 4.44Å; V274-K626 HydrophobicContact CG2-CB 4.04Å; S624-K626 PolarHBondContact O-N 2.96Å; S624-K626 VanDerWaalsContact O-N 3.13Å; K626-R628 VanDerWaalsContact C-N 3.34Å; K626-V629 PolarHBondContact O-N 3.36Å; K626-A630 PolarHBondContact O-N 3.07Å
627	A	94.5	Very high	91.1	Very high	52 Å²	52	61.8 Å²	61.8	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-37.9	177.2	0	0	0	0	0	111.3	S624 A630 F631	S624-A627 WeakPolarHBondContact O-CB 3.37Å; S624-A627 PolarHBondContact O-N 3.13Å; S624-A627 PolarHBondContact OG-N 2.81Å; A627-A630 PolarHBondContact O-N 3.48Å; A627-F631 VanDerWaalsContact O-CB 3.32Å; A627-F631 WeakPolarHBondContact O-CB 3.02Å; A627-F631 PolarHBondContact O-N 3.1Å
628	R	94.8	Very high	91.3	Very high	19 Å²	19	63.6 Å²	63.6	7%	0.072	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-34.2	176.4	-78.9	-175	-84.4	118.5	-0.2	113.9	T248 T249 F250 E254 L620 G623 S624 T625 K626 F632	T248-R628 WeakPolarHBondContact OG1-CB 3.27Å; T248-R628 WeakPolarHBondContact OG1-CG 3.33Å; T249-R628 WeakPolarHBondContact O-CD 3.2Å; T249-R628 PolarHBondContact O-NH1 2.8Å; F250-R628 HydrophobicContact CE1-CB 3.76Å; F250-R628 HydrophobicContact CZ-CB 4.14Å; E254-R628 VanDerWaalsContact CD-NH1 3.34Å; E254-R628 IonicContact OE1-CZ 3.19Å; E254-R628 IonicContact OE1-NH1 2.92Å; E254-R628 PolarHBondContact OE1-NH1 3.19Å; E254-R628 VanDerWaalsContact OE1-NH1 3.13Å; E254-R628 IonicContact OE1-NH2 2.69Å; E254-R628 PolarHBondContact OE1-NH2 3.37Å; E254-R628 IonicContact OE2-CZ 2.67Å; E254-R628 IonicContact OE2-NH1 3.86Å; E254-R628 PolarHBondContact OE2-NH1 3.1Å; E254-R628 IonicContact OE2-NH2 3.79Å; L620-R628 WeakPolarHBondContact O-CD 3.48Å; G623-R628 VanDerWaalsContact O-CZ 3.3Å; G623-R628 PolarHBondContact O-NE 3.04Å; G623-R628 PolarHBondContact O-NH2 3.11Å; S624-R628 PolarHBondContact O-N 2.85Å; T625-R628 PolarHBondContact O-N 3.34Å; K626-R628 VanDerWaalsContact C-N 3.34Å; R628-F632 PolarHBondContact O-N 3.29Å
629	V	93.9	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-68.7	-46.8	169.9	176.2	0	0	0	0	111	F250 L269 V274 F277 T625 K626 F631 F632 E633	F250-V629 HydrophobicContact CE1-CG2 3.69Å; F250-V629 HydrophobicContact CZ-CG2 3.94Å; L269-V629 HydrophobicContact CD1-CG2 3.71Å; V274-V629 HydrophobicContact CG1-CB 4.45Å; V274-V629 HydrophobicContact CG1-CG2 4.08Å; F277-V629 HydrophobicContact CB-CG2 4.23Å; T625-V629 WeakPolarHBondContact O-CG2 3.23Å; T625-V629 PolarHBondContact O-N 3.39Å; K626-V629 PolarHBondContact O-N 3.36Å; V629-F631 PolarHBondContact O-N 2.89Å; V629-F632 PolarHBondContact O-N 3.04Å; V629-E633 WeakPolarHBondContact O-CG 3.29Å; V629-E633 PolarHBondContact O-N 3.25Å
630	A	93.4	Very high	91.6	Very high	43 Å²	43	56 Å²	56	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-49.5	178.3	0	0	0	0	0	111.6	K626 A627 F632 E633 E634	K626-A630 PolarHBondContact O-N 3.07Å; A627-A630 PolarHBondContact O-N 3.48Å; A630-F632 VanDerWaalsContact C-N 3.32Å; A630-F632 PolarHBondContact O-N 3.11Å; A630-E633 CarbonylContact O-C 3.57Å; A630-E633 PolarHBondContact O-N 3.42Å; A630-E634 WeakPolarHBondContact O-CG 3.32Å; A630-E634 PolarHBondContact O-N 2.65Å; A630-E634 VanDerWaalsContact O-N 3.09Å
631	F	94.4	Very high	91.6	Very high	85 Å²	85	57.6 Å²	57.6	37%	0.373	33%	0.329	S	S	.	.	H	α-helix	trans	-55.4	-41.3	176.7	175.8	-99.5	0	0	0	113.1	K247 T248 A627 V629 E633 E634 L635	K247-F631 HydrophobicContact CB-CE1 4Å; K247-F631 HydrophobicContact CB-CZ 4.4Å; K247-F631 VanDerWaalsContact O-CE1 3.27Å; K247-F631 WeakPolarHBondContact O-CE1 3.09Å; T248-F631 HydrophobicContact CG2-CD1 4.35Å; A627-F631 VanDerWaalsContact O-CB 3.32Å; A627-F631 WeakPolarHBondContact O-CB 3.02Å; A627-F631 PolarHBondContact O-N 3.1Å; V629-F631 PolarHBondContact O-N 2.89Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.19Å; F631-E634 PolarHBondContact O-N 2.66Å; F631-E634 VanDerWaalsContact O-N 3.16Å; F631-L635 HydrophobicContact CE1-CD1 4.46Å; F631-L635 HydrophobicContact CE1-CD2 4.26Å; F631-L635 HydrophobicContact CZ-CD2 4.06Å; F631-L635 PolarHBondContact O-N 3.45Å
632	F	94.1	Very high	91.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-34.8	176	168.4	-92.2	0	0	0	113.5	I218 N220 L226 I237 T248 F277 I278 F279 R628 V629 A630 E634	I218-F632 HydrophobicContact CD1-CE2 4.19Å; I218-F632 HydrophobicContact CD1-CZ 4.44Å; N220-F632 HydrophobicContact CB-CD1 4.23Å; N220-F632 HydrophobicContact CB-CE1 3.43Å; N220-F632 VanDerWaalsContact CB-CE1 3.43Å; N220-F632 HydrophobicContact CB-CE2 4.09Å; N220-F632 HydrophobicContact CB-CZ 3.35Å; N220-F632 PolarHBondContact ND2-O 2.93Å; L226-F632 HydrophobicContact CD1-CD2 4.04Å; L226-F632 HydrophobicContact CD1-CE2 3.56Å; L226-F632 HydrophobicContact CD1-CZ 4.35Å; I237-F632 HydrophobicContact CB-CD2 4.46Å; I237-F632 HydrophobicContact CD1-CE2 4.35Å; I237-F632 HydrophobicContact CG1-CD2 4.06Å; I237-F632 HydrophobicContact CG1-CE2 4.35Å; I237-F632 HydrophobicContact CG2-CD2 3.92Å; I237-F632 HydrophobicContact CG2-CE2 3.96Å; T248-F632 HydrophobicContact CG2-CB 4.41Å; F277-F632 AromaticContact CD2-CD1 3.81Å; F277-F632 HydrophobicContact CD2-CD1 3.81Å; F277-F632 AromaticContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CG 4.19Å; F277-F632 AromaticContact CE2-CD1 3.56Å; F277-F632 HydrophobicContact CE2-CD1 3.56Å; F277-F632 AromaticContact CE2-CD2 3.81Å; F277-F632 HydrophobicContact CE2-CD2 3.81Å; F277-F632 AromaticContact CE2-CE1 3.53Å; F277-F632 HydrophobicContact CE2-CE1 3.53Å; F277-F632 AromaticContact CE2-CE2 3.76Å; F277-F632 HydrophobicContact CE2-CE2 3.76Å; F277-F632 AromaticContact CE2-CG 3.7Å; F277-F632 HydrophobicContact CE2-CG 3.7Å; F277-F632 AromaticContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CZ-CE2 4.33Å; F277-F632 HydrophobicContact CZ-CZ 4.4Å; I278-F632 WeakPolarHBondContact O-CE1 3.33Å; F279-F632 HydrophobicContact CB-CZ 3.94Å; R628-F632 PolarHBondContact O-N 3.29Å; V629-F632 PolarHBondContact O-N 3.04Å; A630-F632 VanDerWaalsContact C-N 3.32Å; A630-F632 PolarHBondContact O-N 3.11Å; F632-E634 VanDerWaalsContact C-N 3.29Å
633	E	91.2	Very high	92.4	Very high	35 Å²	35	55.2 Å²	55.2	16%	0.164	31%	0.309	C	S	.	.	H	α-helix	trans	-82.8	-7.7	178.3	-54.2	-76.6	175.8	0	0	112.4	K221 N222 V629 A630 F631	K221-E633 WeakPolarHBondContact CD-OE2 3.44Å; K221-E633 VanDerWaalsContact CG-OE2 3.23Å; K221-E633 WeakPolarHBondContact CG-OE2 3.4Å; K221-E633 IonicContact NZ-OE1 3.39Å; K221-E633 PolarHBondContact NZ-OE1 2.8Å; K221-E633 IonicContact NZ-OE2 3.91Å; K221-E633 PolarHBondContact NZ-OE2 3.42Å; N222-E633 PolarHBondContact ND2-O 3.13Å; V629-E633 WeakPolarHBondContact O-CG 3.29Å; V629-E633 PolarHBondContact O-N 3.25Å; A630-E633 CarbonylContact O-C 3.57Å; A630-E633 PolarHBondContact O-N 3.42Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.19Å
634	E	92.8	Very high	93.1	Very high	152 Å²	152	57.6 Å²	57.6	71%	0.71	31%	0.312	S	S	*	.	H	α-helix	trans	-96.8	-8.7	174.2	-72.2	172	-176.7	0	0	113.1	A630 F631 F632	A630-E634 WeakPolarHBondContact O-CG 3.32Å; A630-E634 PolarHBondContact O-N 2.65Å; A630-E634 VanDerWaalsContact O-N 3.09Å; F631-E634 PolarHBondContact O-N 2.66Å; F631-E634 VanDerWaalsContact O-N 3.16Å; F632-E634 VanDerWaalsContact C-N 3.29Å
635	L	91.2	Very high	93.2	Very high	57 Å²	57	55.8 Å²	55.8	30%	0.298	29%	0.291	S	S	.	.			trans	-68.7	0	168.1	-61.5	176.1	0	0	0	112.4	N220 N222 T224 L226 F631	N220-L635 PolarHBondContact ND2-OXT 2.94Å; N222-L635 PolarHBondContact ND2-OXT 2.97Å; T224-L635 VanDerWaalsContact CB-O 3.24Å; T224-L635 WeakPolarHBondContact CB-O 3.43Å; T224-L635 WeakPolarHBondContact CG2-O 3.33Å; T224-L635 VanDerWaalsContact OG1-C 3.25Å; T224-L635 PolarHBondContact OG1-O 2.8Å; T224-L635 PolarHBondContact OG1-OXT 3.17Å; L226-L635 HydrophobicContact CD1-CB 4.28Å; L226-L635 HydrophobicContact CD1-CD1 3.82Å; L226-L635 HydrophobicContact CD2-CD1 3.95Å; F631-L635 HydrophobicContact CE1-CD1 4.46Å; F631-L635 HydrophobicContact CE1-CD2 4.26Å; F631-L635 HydrophobicContact CZ-CD2 4.06Å; F631-L635 PolarHBondContact O-N 3.45Å

Retrieved 635 of 635 residues in 114.4 ms (Link to these results)

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