A0A3Q0KR53_SCHMA Loading...

Family C48 unassigned peptidase (C48 family) AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KR53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 707 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.9	Very low	34.3	Very low	197 Å²	197	132.8 Å²	132.8	97%	0.97	67%	0.668	S	S	*	*				0	-54.1	0	-127.4	166.8	67.8	0	0	111	L3 R4	M1-L3 PolarHBondContact O-N 3.41Å; M1-R4 PolarHBondContact O-N 3.38Å
2	M	38.5	Very low	33.7	Very low	157 Å²	157	140.2 Å²	140.2	77%	0.773	68%	0.681	S	S	*	*	H	α-helix	trans	-50.9	-43.3	177.2	-89.6	178.3	-169.5	0	0	115.8	R4 E5 I6	M2-R4 PolarHBondContact O-N 3.29Å; M2-E5 PolarHBondContact O-N 3.41Å; M2-I6 PolarHBondContact O-N 3.4Å
3	L	34.8	Very low	33	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	70%	0.698	S	S	*	*	H	α-helix	trans	-65	-22.5	-179.2	-79.1	163.1	0	0	0	113.7	M1	M1-L3 PolarHBondContact O-N 3.41Å
4	R	36.4	Very low	32.4	Very low	203 Å²	203	143 Å²	143	77%	0.766	71%	0.705	S	S	*	*	H	α-helix	trans	-85.4	-32.7	-177.7	-145.5	175.5	-172.4	-179.5	1.6	111.9	M1 M2 I6 Q7 D8	M1-R4 PolarHBondContact O-N 3.38Å; M2-R4 PolarHBondContact O-N 3.29Å; R4-I6 VanDerWaalsContact C-N 3.34Å; R4-Q7 PolarHBondContact O-N 3.47Å; R4-D8 PolarHBondContact O-N 3.49Å
5	E	36.3	Very low	31.9	Very low	128 Å²	128	140.9 Å²	140.9	60%	0.598	71%	0.706	S	S	*	*	H	α-helix	trans	-67.6	-34.3	175.4	-71.5	176.4	163.2	0	0	112.2	M2 D8 A9	M2-E5 PolarHBondContact O-N 3.41Å; E5-D8 PolarHBondContact O-N 3.32Å; E5-A9 PolarHBondContact O-N 3.39Å; E5-A9 VanDerWaalsContact O-N 3.09Å
6	I	31.3	Very low	31.4	Very low	99 Å²	99	138.6 Å²	138.6	51%	0.508	70%	0.702	S	S	.	*	H	α-helix	trans	-66.5	-40	174.8	-62.8	171.5	0	0	0	110.9	M2 R4 D8 A9 L10	M2-I6 PolarHBondContact O-N 3.4Å; R4-I6 VanDerWaalsContact C-N 3.34Å; I6-D8 PolarHBondContact O-N 3.09Å; I6-A9 PolarHBondContact O-N 3.16Å; I6-L10 HydrophobicContact CG2-CD1 4.02Å; I6-L10 WeakPolarHBondContact O-CG 3.32Å; I6-L10 PolarHBondContact O-N 3.49Å; I6-L10 VanDerWaalsContact O-N 3.09Å
7	Q	31.2	Very low	31.1	Very low	111 Å²	111	138.7 Å²	138.7	52%	0.519	71%	0.711	S	S	.	*	H	α-helix	trans	-68.1	-35.2	179.9	-157.7	74	10.5	0	0	112.1	R4 L10 N11	R4-Q7 PolarHBondContact O-N 3.47Å; Q7-L10 PolarHBondContact O-N 3.17Å; Q7-N11 PolarHBondContact O-N 3.4Å; Q7-N11 PolarHBondContact O-ND2 3.39Å; Q7-N11 VanDerWaalsContact O-ND2 3.16Å
8	D	33.1	Very low	30.8	Very low	107 Å²	107	135.6 Å²	135.6	57%	0.572	69%	0.692	S	S	*	*	H	α-helix	trans	-76	-28.9	177.6	-74.8	-20.7	0	0	0	112.7	R4 E5 I6	R4-D8 PolarHBondContact O-N 3.49Å; E5-D8 PolarHBondContact O-N 3.32Å; I6-D8 PolarHBondContact O-N 3.09Å
9	A	32.4	Very low	30.5	Very low	73 Å²	73	133 Å²	133	60%	0.603	68%	0.677	S	S	*	*	H	α-helix	trans	-69	-37.8	171.1	0	0	0	0	0	112.2	E5 I6 N11	E5-A9 PolarHBondContact O-N 3.39Å; E5-A9 VanDerWaalsContact O-N 3.09Å; I6-A9 PolarHBondContact O-N 3.16Å; A9-N11 VanDerWaalsContact C-N 3.31Å; A9-N11 PolarHBondContact O-N 2.69Å
10	L	29	Very low	30.3	Very low	124 Å²	124	135 Å²	135	65%	0.649	68%	0.684	S	S	*	*	H	α-helix	trans	-70.2	-23.2	179.4	-76.7	165.7	0	0	0	113.9	I6 Q7	I6-L10 HydrophobicContact CG2-CD1 4.02Å; I6-L10 WeakPolarHBondContact O-CG 3.32Å; I6-L10 PolarHBondContact O-N 3.49Å; I6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 3.17Å
11	N	29.1	Very low	30.2	Very low	110 Å²	110	137.4 Å²	137.4	59%	0.588	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-2.3	-175.6	-76.2	-32.2	0	0	0	114.8	Q7 A9 K13	Q7-N11 PolarHBondContact O-N 3.4Å; Q7-N11 PolarHBondContact O-ND2 3.39Å; Q7-N11 VanDerWaalsContact O-ND2 3.16Å; A9-N11 VanDerWaalsContact C-N 3.31Å; A9-N11 PolarHBondContact O-N 2.69Å; N11-K13 PolarHBondContact O-N 3.46Å
12	R	27.5	Very low	29.6	Very low	221 Å²	221	135.2 Å²	135.2	83%	0.834	68%	0.682	S	S	*	*	S	Bend	trans	-91	92.3	173	-67.9	-171.2	-173.4	-169.5	3.1	110.1	S14	R12-S14 PolarHBondContact O-N 3.04Å
13	K	24.1	Very low	29.7	Very low	207 Å²	207	136 Å²	136	90%	0.9	68%	0.681	S	S	*	*			trans	-40.5	111.4	175.1	-65.9	177.9	176.6	-179.7	0	112.6	N11	N11-K13 PolarHBondContact O-N 3.46Å
14	S	24.5	Very low	30.5	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	68%	0.679	S	S	*	*			trans	-91.1	129.4	169.2	46.4	0	0	0	0	110.3	R12	R12-S14 PolarHBondContact O-N 3.04Å
15	P	25.3	Very low	31.5	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	67%	0.671	S	S	*	*			trans	-92.2	115	168.7	21.4	-7.2	0	0	0	110.8
16	T	24.3	Very low	32.9	Very low	103 Å²	103	133.1 Å²	133.1	63%	0.632	66%	0.658	S	S	*	*			trans	41	96.1	133.9	49.9	0	0	0	0	119.1
17	V	25.4	Very low	34.7	Very low	141 Å²	141	135.9 Å²	135.9	86%	0.855	67%	0.666	S	S	*	*			trans	-80.8	132.7	166.2	174	0	0	0	0	109.8	T311	V17-T311 PolarHBondContact O-OG1 2.81Å
18	H	26.2	Very low	36.9	Very low	82 Å²	82	131 Å²	131	38%	0.38	64%	0.644	S	S	.	*			trans	-130.2	111.9	-169.5	-119.8	-83.1	0	0	0	107	E309 S310 T311	H18-E309 HydrophobicContact CB-CB 3.45Å; H18-E309 VanDerWaalsContact CB-CB 3.45Å; H18-E309 HydrophobicContact CB-CG 4.06Å; H18-S310 VanDerWaalsContact CB-CA 3.48Å; H18-S310 WeakPolarHBondContact ND1-CA 3.33Å; H18-S310 PolarHBondContact O-N 2.99Å; H18-T311 WeakPolarHBondContact CA-OG1 3.48Å; H18-T311 WeakPolarHBondContact CB-OG1 3.06Å; H18-T311 PolarHBondContact CD2-OG1 3.19Å; H18-T311 WeakPolarHBondContact CE1-CB 3.4Å; H18-T311 PolarHBondContact CE1-OG1 3.37Å; H18-T311 VanDerWaalsContact ND1-CB 3.34Å; H18-T311 WeakPolarHBondContact ND1-CB 3.41Å; H18-T311 PolarHBondContact ND1-N 2.86Å; H18-T311 PolarHBondContact ND1-OG1 3.2Å; H18-T311 VanDerWaalsContact ND1-OG1 3.09Å; H18-T311 PolarHBondContact NE2-OG1 2.87Å
19	E	24.5	Very low	39.1	Very low	87 Å²	87	130.4 Å²	130.4	41%	0.407	65%	0.646	S	S	.	*			trans	-26.1	134.8	174.7	-109.4	-178.1	-174	0	0	119.4	S310 V312	E19-S310 CarbonylContact C-O 3.44Å; E19-S310 WeakPolarHBondContact CA-O 3.36Å; E19-S310 VanDerWaalsContact CB-C 3.46Å; E19-S310 WeakPolarHBondContact CB-O 3.35Å; E19-S310 PolarHBondContact N-O 3.28Å; E19-S310 CarbonylContact O-C 3.48Å; E19-S310 WeakPolarHBondContact O-CA 3.46Å; E19-S310 PolarHBondContact O-N 3.45Å; E19-S310 PolarHBondContact O-OG 3.34Å; E19-V312 VanDerWaalsContact CD-CA 3.44Å; E19-V312 VanDerWaalsContact CD-CB 3.44Å; E19-V312 VanDerWaalsContact CD-O 3.24Å; E19-V312 WeakPolarHBondContact OE1-CA 3.36Å; E19-V312 WeakPolarHBondContact OE1-CB 3.41Å; E19-V312 PolarHBondContact OE1-N 2.89Å; E19-V312 VanDerWaalsContact OE2-CA 3.29Å; E19-V312 WeakPolarHBondContact OE2-CA 3.27Å; E19-V312 WeakPolarHBondContact OE2-CB 3.34Å; E19-V312 WeakPolarHBondContact OE2-CG2 3.37Å; E19-V312 PolarHBondContact OE2-N 3.35Å
20	E	26.8	Very low	41.3	Very low	172 Å²	172	130.3 Å²	130.3	80%	0.804	63%	0.633	S	S	*	*			trans	-108	142.7	167.8	-89.1	-166.9	149.3	0	0	112.6
21	K	28.3	Very low	43.2	Very low	187 Å²	187	129.8 Å²	129.8	81%	0.813	64%	0.637	S	S	*	*			trans	-70	130	-164.1	-69.2	165.8	178.3	167.1	0	114.6	K23	K21-K23 PolarHBondContact O-N 3Å; K21-K23 VanDerWaalsContact O-N 3.14Å
22	N	32.1	Very low	44.8	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	65%	0.651	S	S	*	*			trans	-33.4	104.1	166.8	-82.5	-43.9	0	0	0	115.4	R24	N22-R24 PolarHBondContact O-N 2.88Å
23	K	41.3	Very low	46.7	Very low	175 Å²	175	122.7 Å²	122.7	76%	0.761	62%	0.617	S	S	*	*			trans	-70.8	92.8	160	-73.6	177.2	-179.6	172.5	0	108.6	K21 F25 P39	K21-K23 PolarHBondContact O-N 3Å; K21-K23 VanDerWaalsContact O-N 3.14Å; K23-F25 PolarHBondContact O-N 3.29Å; K23-P39 HydrophobicContact CB-CG 4.48Å
24	R	51.9	Low	49.1	Very low	201 Å²	201	119.6 Å²	119.6	76%	0.758	61%	0.606	S	S	*	*			trans	-68.1	117.9	-179.6	-82.8	-178.7	170.4	175.8	-2.4	110.8	N22	N22-R24 PolarHBondContact O-N 2.88Å
25	F	56.5	Low	51.7	Low	136 Å²	136	114.2 Å²	114.2	60%	0.596	57%	0.568	S	S	*	*			trans	-68.9	144.8	159.9	-63.7	-90.6	0	0	0	109.6	K23 F36 C38	K23-F25 PolarHBondContact O-N 3.29Å; F25-F36 HydrophobicContact CB-CB 4.49Å; F25-F36 HydrophobicContact CD1-CD2 4.47Å; F25-C38 HydrophobicContact CD1-CB 3.83Å; F25-C38 HydrophobicContact CE1-CB 3.77Å
26	W	67	Low	54.1	Low	84 Å²	84	113.8 Å²	113.8	32%	0.318	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	126.1	179.4	-60.7	-77.9	0	0	0	111.2	F36 A37 C38 P39 F42 F53	W26-F36 CarbonylContact O-C 3.59Å; W26-F36 WeakPolarHBondContact O-CA 3.31Å; W26-F36 VanDerWaalsContact O-CB 3.3Å; W26-F36 WeakPolarHBondContact O-CB 3.47Å; W26-A37 HydrophobicContact CE3-CB 4.37Å; W26-A37 PolarHBondContact N-O 3.11Å; W26-A37 PolarHBondContact O-N 2.85Å; W26-C38 WeakPolarHBondContact CZ3-O 3.29Å; W26-P39 HydrophobicContact CH2-CB 4.06Å; W26-P39 HydrophobicContact CH2-CG 4.11Å; W26-P39 HydrophobicContact CZ3-CB 4.25Å; W26-P39 HydrophobicContact CZ3-CG 4.22Å; W26-F42 HydrophobicContact CE3-CD1 4.47Å; W26-F42 HydrophobicContact CH2-CD1 4.43Å; W26-F42 AromaticContact CH2-CE1 3.86Å; W26-F42 HydrophobicContact CH2-CE1 3.86Å; W26-F42 AromaticContact CZ3-CD1 3.85Å; W26-F42 HydrophobicContact CZ3-CD1 3.85Å; W26-F42 AromaticContact CZ3-CE1 3.71Å; W26-F42 HydrophobicContact CZ3-CE1 3.71Å; W26-F53 HydrophobicContact CB-CE1 3.75Å; W26-F53 HydrophobicContact CB-CZ 3.52Å; W26-F53 AromaticContact CD1-CE1 3.56Å; W26-F53 AromaticContact CD1-CZ 3.92Å; W26-F53 AromaticContact CD2-CE1 3.98Å; W26-F53 HydrophobicContact CD2-CE1 3.98Å; W26-F53 HydrophobicContact CD2-CE2 4.23Å; W26-F53 AromaticContact CD2-CZ 3.54Å; W26-F53 HydrophobicContact CD2-CZ 3.54Å; W26-F53 HydrophobicContact CE3-CE2 4.18Å; W26-F53 AromaticContact CE3-CZ 3.82Å; W26-F53 HydrophobicContact CE3-CZ 3.82Å; W26-F53 AromaticContact CG-CE1 3.49Å; W26-F53 HydrophobicContact CG-CE1 3.49Å; W26-F53 VanDerWaalsContact CG-CE1 3.49Å; W26-F53 HydrophobicContact CG-CE2 4.48Å; W26-F53 AromaticContact CG-CZ 3.38Å; W26-F53 HydrophobicContact CG-CZ 3.38Å
27	K	67.3	Low	56.3	Low	157 Å²	157	108.9 Å²	108.9	68%	0.683	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.5	175.7	-167.6	176.7	179.8	-179.3	0	110.7
28	C	78.8	Confident	58	Low	8 Å²	8	103.7 Å²	103.7	5%	0.054	49%	0.494	C	S	.	.			trans	-64.2	128.6	176	-172.8	0	0	0	0	110.9	Q30 C33 G35 C44 I51	C28-Q30 VanDerWaalsContact C-N 3.25Å; C28-Q30 PolarHBondContact O-N 2.85Å; C28-Q30 VanDerWaalsContact SG-CG 3.55Å; C28-C33 HydrophobicContact CB-CB 4.27Å; C28-G35 WeakPolarHBondContact CB-O 3.49Å; C28-G35 PolarHBondContact N-O 3.19Å; C28-C44 HydrophobicContact CB-CB 4.08Å; C28-C44 VanDerWaalsContact CB-SG 3.56Å; C28-C44 VanDerWaalsContact SG-SG 3.62Å; C28-I51 HydrophobicContact CB-CD1 4.35Å
29	P	79.1	Confident	59.7	Low	95 Å²	95	102.2 Å²	102.2	62%	0.617	49%	0.492	S	S	*	.			trans	-80.9	-0.9	180	31.6	-35.2	0	0	0	113.7	I51	P29-I51 HydrophobicContact CG-CG2 4.26Å
30	Q	77.7	Confident	61.3	Low	71 Å²	71	104.5 Å²	104.5	33%	0.332	51%	0.512	S	S	.	.	S	Bend	trans	-71.1	136.3	-177.1	-62.5	-69.9	-55.5	0	0	111.1	C28 N32 C33 K49	C28-Q30 VanDerWaalsContact C-N 3.25Å; C28-Q30 PolarHBondContact O-N 2.85Å; C28-Q30 VanDerWaalsContact SG-CG 3.55Å; Q30-N32 PolarHBondContact O-N 3.48Å; Q30-C33 HydrophobicContact CB-CB 3.68Å; Q30-C33 WeakPolarHBondContact O-CB 3.47Å; Q30-C33 PolarHBondContact O-N 2.99Å; Q30-K49 HydrophobicContact CG-CD 3.96Å
31	P	70	Confident	62.9	Low	113 Å²	113	99.7 Å²	99.7	73%	0.734	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	135	174.4	-22.5	31	0	0	0	111	C33	P31-C33 PolarHBondContact O-N 3.06Å; P31-C33 VanDerWaalsContact O-N 3.09Å
32	N	62.5	Low	65.2	Low	164 Å²	164	95.6 Å²	95.6	88%	0.877	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	13.9	-178.3	-56.1	-20.8	0	0	0	115.6	Q30	Q30-N32 PolarHBondContact O-N 3.48Å
33	C	66.6	Low	67.3	Low	18 Å²	18	94.1 Å²	94.1	12%	0.122	46%	0.457	C	S	.	.			trans	-100.1	122.6	173.3	-168.1	0	0	0	0	110.7	C28 Q30 P31 C44	C28-C33 HydrophobicContact CB-CB 4.27Å; Q30-C33 HydrophobicContact CB-CB 3.68Å; Q30-C33 WeakPolarHBondContact O-CB 3.47Å; Q30-C33 PolarHBondContact O-N 2.99Å; P31-C33 PolarHBondContact O-N 3.06Å; P31-C33 VanDerWaalsContact O-N 3.09Å; C33-C44 PolarHBondContact SG-SG 3.26Å
34	H	75	Confident	69.2	Low	142 Å²	142	85.9 Å²	85.9	66%	0.657	42%	0.422	S	S	*	.			trans	-101.3	8.8	177.5	-59.8	-72.2	0	0	0	113.6
35	G	78.2	Confident	70.2	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	41%	0.411	C	S	.	.			trans	-72.9	173.5	178.1	0	0	0	0	0	112.7	C28 C44 M46	C28-G35 WeakPolarHBondContact CB-O 3.49Å; C28-G35 PolarHBondContact N-O 3.19Å; G35-C44 VanDerWaalsContact CA-SG 3.55Å; G35-M46 VanDerWaalsContact CA-CG 3.47Å
36	F	77	Confident	70.5	Confident	104 Å²	104	79.6 Å²	79.6	46%	0.456	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155	-179.7	30.7	-91.7	0	0	0	109.5	F25 W26 C44 T45	F25-F36 HydrophobicContact CB-CB 4.49Å; F25-F36 HydrophobicContact CD1-CD2 4.47Å; W26-F36 CarbonylContact O-C 3.59Å; W26-F36 WeakPolarHBondContact O-CA 3.31Å; W26-F36 VanDerWaalsContact O-CB 3.3Å; W26-F36 WeakPolarHBondContact O-CB 3.47Å; F36-C44 WeakPolarHBondContact O-CA 3.19Å; F36-T45 HydrophobicContact CD2-CG2 3.99Å; F36-T45 HydrophobicContact CE2-CG2 4.03Å; F36-T45 PolarHBondContact N-OG1 2.75Å; F36-T45 VanDerWaalsContact O-CG2 3.29Å; F36-T45 WeakPolarHBondContact O-CG2 3.14Å; F36-T45 PolarHBondContact O-N 2.96Å; F36-T45 PolarHBondContact O-OG1 2.62Å
37	A	70.8	Confident	71.3	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.5	169.4	0	0	0	0	0	109.4	W26 I51	W26-A37 HydrophobicContact CE3-CB 4.37Å; W26-A37 PolarHBondContact N-O 3.11Å; W26-A37 PolarHBondContact O-N 2.85Å; A37-I51 HydrophobicContact CB-CD1 3.53Å; A37-I51 HydrophobicContact CB-CG1 4.11Å
38	C	61.1	Low	71.7	Confident	31 Å²	31	74 Å²	74	21%	0.209	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-98.4	160.8	176.1	77.9	0	0	0	0	110.5	F25 W26 T40 D41	F25-C38 HydrophobicContact CD1-CB 3.83Å; F25-C38 HydrophobicContact CE1-CB 3.77Å; W26-C38 WeakPolarHBondContact CZ3-O 3.29Å; C38-T40 PolarHBondContact O-N 3.01Å; C38-T40 PolarHBondContact SG-OG1 2.88Å; C38-D41 PolarHBondContact N-O 3.11Å; C38-D41 VanDerWaalsContact N-O 3.08Å; C38-D41 CarbonylContact O-C 3.59Å; C38-D41 PolarHBondContact O-N 3.16Å; C38-D41 PolarHBondContact SG-N 3.44Å
39	P	60.3	Low	71.6	Confident	52 Å²	52	78.9 Å²	78.9	34%	0.338	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26	177.2	-29.7	37.6	0	0	0	116	K23 W26	K23-P39 HydrophobicContact CB-CG 4.48Å; W26-P39 HydrophobicContact CH2-CB 4.06Å; W26-P39 HydrophobicContact CH2-CG 4.11Å; W26-P39 HydrophobicContact CZ3-CB 4.25Å; W26-P39 HydrophobicContact CZ3-CG 4.22Å
40	T	59.8	Low	71.6	Confident	134 Å²	134	78.8 Å²	78.8	82%	0.822	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.7	-178.4	52.3	0	0	0	0	113.5	C38	C38-T40 PolarHBondContact O-N 3.01Å; C38-T40 PolarHBondContact SG-OG1 2.88Å
41	D	60.2	Low	71.3	Confident	71 Å²	71	76 Å²	76	38%	0.38	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-146.2	105.8	175.8	-169.1	-0.8	0	0	0	109.7	C38 R43	C38-D41 PolarHBondContact N-O 3.11Å; C38-D41 VanDerWaalsContact N-O 3.08Å; C38-D41 CarbonylContact O-C 3.59Å; C38-D41 PolarHBondContact O-N 3.16Å; C38-D41 PolarHBondContact SG-N 3.44Å; D41-R43 PolarHBondContact O-N 3.09Å; D41-R43 WeakPolarHBondContact OD1-CB 3.31Å; D41-R43 PolarHBondContact OD1-N 3.15Å; D41-R43 IonicContact OD1-NE 2.9Å; D41-R43 PolarHBondContact OD1-NE 2.76Å
42	F	75.6	Confident	71.1	Confident	101 Å²	101	76.7 Å²	76.7	44%	0.443	41%	0.406	S	S	.	.			trans	-71.5	3.1	-177	-59.8	-73	0	0	0	113.3	W26 V50 I51 F53	W26-F42 HydrophobicContact CE3-CD1 4.47Å; W26-F42 HydrophobicContact CH2-CD1 4.43Å; W26-F42 AromaticContact CH2-CE1 3.86Å; W26-F42 HydrophobicContact CH2-CE1 3.86Å; W26-F42 AromaticContact CZ3-CD1 3.85Å; W26-F42 HydrophobicContact CZ3-CD1 3.85Å; W26-F42 AromaticContact CZ3-CE1 3.71Å; W26-F42 HydrophobicContact CZ3-CE1 3.71Å; F42-V50 HydrophobicContact CB-CG1 4.22Å; F42-I51 PolarHBondContact O-N 3.14Å; F42-F53 HydrophobicContact CD1-CD2 4.17Å; F42-F53 AromaticContact CD1-CE2 3.73Å; F42-F53 HydrophobicContact CD1-CE2 3.73Å; F42-F53 HydrophobicContact CE1-CE2 4.4Å
43	R	77.4	Confident	70.9	Confident	119 Å²	119	72.9 Å²	72.9	45%	0.449	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-83.4	136.7	174.4	-75.5	176.5	-96.6	-117.9	2	111.9	D41 T45 V50	D41-R43 PolarHBondContact O-N 3.09Å; D41-R43 WeakPolarHBondContact OD1-CB 3.31Å; D41-R43 PolarHBondContact OD1-N 3.15Å; D41-R43 IonicContact OD1-NE 2.9Å; D41-R43 PolarHBondContact OD1-NE 2.76Å; R43-T45 PolarHBondContact O-N 3Å; R43-V50 HydrophobicContact CG-CB 4.44Å; R43-V50 HydrophobicContact CG-CG2 3.61Å
44	C	80	Confident	69.8	Low	2 Å²	2	76.4 Å²	76.4	1%	0.014	41%	0.406	C	S	.	.			trans	-60.7	127.3	170.7	171.6	0	0	0	0	110.9	C28 C33 G35 F36 M46 C47 S48 K49	C28-C44 HydrophobicContact CB-CB 4.08Å; C28-C44 VanDerWaalsContact CB-SG 3.56Å; C28-C44 VanDerWaalsContact SG-SG 3.62Å; C33-C44 PolarHBondContact SG-SG 3.26Å; G35-C44 VanDerWaalsContact CA-SG 3.55Å; F36-C44 WeakPolarHBondContact O-CA 3.19Å; C44-M46 PolarHBondContact O-N 3.27Å; C44-M46 PolarHBondContact SG-N 3.34Å; C44-M46 VanDerWaalsContact SG-N 3.41Å; C44-C47 PolarHBondContact SG-N 3.23Å; C44-C47 VanDerWaalsContact SG-N 3.44Å; C44-C47 PolarHBondContact SG-SG 3.17Å; C44-S48 WeakPolarHBondContact O-CA 3.33Å; C44-S48 PolarHBondContact O-N 3.2Å; C44-K49 WeakPolarHBondContact CB-O 3.48Å; C44-K49 PolarHBondContact N-O 3.36Å
45	T	73.3	Confident	67.7	Low	87 Å²	87	77.4 Å²	77.4	53%	0.534	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16	178.3	48.6	0	0	0	0	115.5	F36 R43	F36-T45 HydrophobicContact CD2-CG2 3.99Å; F36-T45 HydrophobicContact CE2-CG2 4.03Å; F36-T45 PolarHBondContact N-OG1 2.75Å; F36-T45 VanDerWaalsContact O-CG2 3.29Å; F36-T45 WeakPolarHBondContact O-CG2 3.14Å; F36-T45 PolarHBondContact O-N 2.96Å; F36-T45 PolarHBondContact O-OG1 2.62Å; R43-T45 PolarHBondContact O-N 3Å
46	M	63	Low	65.4	Low	118 Å²	118	83 Å²	83	58%	0.581	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-42.9	-174.6	-67.5	-72.7	-79.3	0	0	113.4	G35 C44	G35-M46 VanDerWaalsContact CA-CG 3.47Å; C44-M46 PolarHBondContact O-N 3.27Å; C44-M46 PolarHBondContact SG-N 3.34Å; C44-M46 VanDerWaalsContact SG-N 3.41Å
47	C	83.3	Confident	62.9	Low	49 Å²	49	82.8 Å²	82.8	33%	0.331	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-2	-179.2	72.7	0	0	0	0	113.6	C44 K49	C44-C47 PolarHBondContact SG-N 3.23Å; C44-C47 VanDerWaalsContact SG-N 3.44Å; C44-C47 PolarHBondContact SG-SG 3.17Å; C47-K49 PolarHBondContact O-N 3.09Å
48	S	76.2	Confident	60.7	Low	75 Å²	75	90.8 Å²	90.8	52%	0.524	50%	0.504	S	S	.	.			trans	58.7	8.3	178.7	-52.7	0	0	0	0	115.6	C44	C44-S48 WeakPolarHBondContact O-CA 3.33Å; C44-S48 PolarHBondContact O-N 3.2Å
49	K	76.9	Confident	58.8	Low	111 Å²	111	98.9 Å²	98.9	48%	0.483	54%	0.536	S	S	.	.			trans	-70.9	134.2	172.4	-70.1	-168.6	-177.1	-179.5	0	109.8	Q30 C44 C47 I51	Q30-K49 HydrophobicContact CG-CD 3.96Å; C44-K49 WeakPolarHBondContact CB-O 3.48Å; C44-K49 PolarHBondContact N-O 3.36Å; C47-K49 PolarHBondContact O-N 3.09Å; K49-I51 PolarHBondContact O-N 2.92Å
50	V	79.4	Confident	57	Low	93 Å²	93	101.8 Å²	101.8	56%	0.564	56%	0.558	S	S	*	*	B	Isolated β-bridge	trans	-66.5	127.2	171.5	-177.4	0	0	0	0	108.1	F42 R43 D52	F42-V50 HydrophobicContact CB-CG1 4.22Å; R43-V50 HydrophobicContact CG-CB 4.44Å; R43-V50 HydrophobicContact CG-CG2 3.61Å; V50-D52 PolarHBondContact O-N 3.12Å
51	I	70.5	Confident	55.2	Low	13 Å²	13	100.2 Å²	100.2	7%	0.067	55%	0.552	C	S	.	*			trans	-84.3	108.8	172.9	-52.6	-178	0	0	0	106.6	C28 P29 A37 F42 K49 F53	C28-I51 HydrophobicContact CB-CD1 4.35Å; P29-I51 HydrophobicContact CG-CG2 4.26Å; A37-I51 HydrophobicContact CB-CD1 3.53Å; A37-I51 HydrophobicContact CB-CG1 4.11Å; F42-I51 PolarHBondContact O-N 3.14Å; K49-I51 PolarHBondContact O-N 2.92Å; I51-F53 HydrophobicContact CB-CE1 4.45Å; I51-F53 HydrophobicContact CB-CE2 3.81Å; I51-F53 HydrophobicContact CB-CZ 3.71Å; I51-F53 HydrophobicContact CG2-CD1 4.19Å; I51-F53 HydrophobicContact CG2-CD2 4.38Å; I51-F53 HydrophobicContact CG2-CE1 3.57Å; I51-F53 HydrophobicContact CG2-CE2 3.75Å; I51-F53 HydrophobicContact CG2-CZ 3.32Å; I51-F53 VanDerWaalsContact O-CD2 3.23Å; I51-F53 WeakPolarHBondContact O-CD2 3.45Å; I51-F53 WeakPolarHBondContact O-CE2 3.23Å
52	D	65.2	Low	53.3	Low	127 Å²	127	102.9 Å²	102.9	68%	0.679	57%	0.571	S	S	*	*			trans	-85.1	122.1	174.1	-168.7	-11	0	0	0	108.9	V50 S54	V50-D52 PolarHBondContact O-N 3.12Å; D52-S54 WeakPolarHBondContact OD1-CB 3.47Å; D52-S54 PolarHBondContact OD1-N 2.62Å; D52-S54 PolarHBondContact OD1-OG 3.14Å; D52-S54 PolarHBondContact OD2-OG 2.82Å
53	F	59.8	Low	50.9	Low	84 Å²	84	107.9 Å²	107.9	37%	0.368	59%	0.593	S	S	.	*			trans	-97.8	14.7	-173.8	-65.2	-80.9	0	0	0	113.2	W26 F42 I51 D55	W26-F53 HydrophobicContact CB-CE1 3.75Å; W26-F53 HydrophobicContact CB-CZ 3.52Å; W26-F53 AromaticContact CD1-CE1 3.56Å; W26-F53 AromaticContact CD1-CZ 3.92Å; W26-F53 AromaticContact CD2-CE1 3.98Å; W26-F53 HydrophobicContact CD2-CE1 3.98Å; W26-F53 HydrophobicContact CD2-CE2 4.23Å; W26-F53 AromaticContact CD2-CZ 3.54Å; W26-F53 HydrophobicContact CD2-CZ 3.54Å; W26-F53 HydrophobicContact CE3-CE2 4.18Å; W26-F53 AromaticContact CE3-CZ 3.82Å; W26-F53 HydrophobicContact CE3-CZ 3.82Å; W26-F53 AromaticContact CG-CE1 3.49Å; W26-F53 HydrophobicContact CG-CE1 3.49Å; W26-F53 VanDerWaalsContact CG-CE1 3.49Å; W26-F53 HydrophobicContact CG-CE2 4.48Å; W26-F53 AromaticContact CG-CZ 3.38Å; W26-F53 HydrophobicContact CG-CZ 3.38Å; F42-F53 HydrophobicContact CD1-CD2 4.17Å; F42-F53 AromaticContact CD1-CE2 3.73Å; F42-F53 HydrophobicContact CD1-CE2 3.73Å; F42-F53 HydrophobicContact CE1-CE2 4.4Å; I51-F53 HydrophobicContact CB-CE1 4.45Å; I51-F53 HydrophobicContact CB-CE2 3.81Å; I51-F53 HydrophobicContact CB-CZ 3.71Å; I51-F53 HydrophobicContact CG2-CD1 4.19Å; I51-F53 HydrophobicContact CG2-CD2 4.38Å; I51-F53 HydrophobicContact CG2-CE1 3.57Å; I51-F53 HydrophobicContact CG2-CE2 3.75Å; I51-F53 HydrophobicContact CG2-CZ 3.32Å; I51-F53 VanDerWaalsContact O-CD2 3.23Å; I51-F53 WeakPolarHBondContact O-CD2 3.45Å; I51-F53 WeakPolarHBondContact O-CE2 3.23Å; F53-D55 PolarHBondContact O-N 3.28Å; F53-D55 VanDerWaalsContact O-N 3.13Å
54	S	43.1	Very low	48.2	Very low	91 Å²	91	108.2 Å²	108.2	64%	0.636	61%	0.608	S	S	*	*			trans	-78.4	15.1	-173.1	50.3	0	0	0	0	116.3	D52	D52-S54 WeakPolarHBondContact OD1-CB 3.47Å; D52-S54 PolarHBondContact OD1-N 2.62Å; D52-S54 PolarHBondContact OD1-OG 3.14Å; D52-S54 PolarHBondContact OD2-OG 2.82Å
55	D	30.7	Very low	45.6	Very low	163 Å²	163	116.4 Å²	116.4	87%	0.872	65%	0.646	S	S	*	*			trans	-103.2	60.6	170.8	-95.3	-20.5	0	0	0	112.2	F53	F53-D55 PolarHBondContact O-N 3.28Å; F53-D55 VanDerWaalsContact O-N 3.13Å
56	T	29.4	Very low	43.3	Very low	117 Å²	117	117.6 Å²	117.6	72%	0.718	66%	0.656	S	S	*	*	S	Bend	trans	-135.1	91.2	155.2	33	0	0	0	0	109.7
57	S	24.3	Very low	41.3	Very low	101 Å²	101	118.2 Å²	118.2	71%	0.706	67%	0.666	S	S	*	*			trans	48.3	104.6	146.6	67.9	0	0	0	0	118
58	L	25.9	Very low	38.6	Very low	167 Å²	167	123.2 Å²	123.2	87%	0.874	69%	0.688	S	S	*	*				177.2	133.7	108.5	-119.6	72.2	0	0	0	110.9
59	K	20.5	Very low	36	Very low	201 Å²	201	125.1 Å²	125.1	87%	0.874	70%	0.698	S	S	*	*			trans	-62.9	135.6	165.3	-62.7	169	174.4	177	0	110.5
60	S	23.5	Very low	33.6	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	71%	0.709	S	S	*	*			trans	177.3	116.6	134.9	68	0	0	0	0	107.1
61	S	21.9	Very low	31.1	Very low	101 Å²	101	125.7 Å²	125.7	71%	0.706	72%	0.72	S	S	*	*				109.6	99.5	75.6	-168.5	0	0	0	0	109.1
62	T	19.9	Very low	28.9	Very low	126 Å²	126	133.5 Å²	133.5	77%	0.773	76%	0.762	S	S	*	*			trans	33.7	116.1	138.2	40.9	0	0	0	0	119.9
63	K	25.7	Very low	27	Very low	206 Å²	206	130.7 Å²	130.7	90%	0.896	76%	0.764	S	S	*	*				-158.1	120.7	128.7	-113.3	173.5	-178.7	-179.3	0	111.8
64	T	20.4	Very low	25.2	Very low	127 Å²	127	133 Å²	133	78%	0.779	79%	0.785	S	S	*	*			trans	-40.7	150	153.7	30.2	0	0	0	0	111.2
65	E	24.2	Very low	24.3	Very low	173 Å²	173	134.5 Å²	134.5	81%	0.808	79%	0.792	S	S	*	*			cis	174.2	-173.7	45.6	-138	175.1	-171.2	0	0	106.6
66	P	26.4	Very low	24	Very low	113 Å²	113	132 Å²	132	73%	0.734	79%	0.787	S	S	*	*				-111.2	171.9	-82.7	33.5	-13.6	0	0	0	116.2
67	V	20.5	Very low	23.9	Very low	131 Å²	131	132.7 Å²	132.7	79%	0.794	79%	0.791	S	S	*	*			trans	-27.6	128.4	170.5	-175.8	0	0	0	0	118.6
68	I	26	Very low	24.1	Very low	154 Å²	154	137.7 Å²	137.7	79%	0.79	80%	0.8	S	S	*	*			trans	-135.3	123.4	145.9	-57.6	178.6	0	0	0	108.1
69	P	22.3	Very low	25.1	Very low	115 Å²	115	136.9 Å²	136.9	75%	0.747	79%	0.786	S	S	*	*			trans	-93.8	120.8	179.7	33.2	-25.5	0	0	0	110.7
70	S	26.5	Very low	26.2	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	78%	0.781	S	S	*	*			trans	-137.5	108.3	166.6	61.1	0	0	0	0	111.3
71	S	26.8	Very low	27	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	78%	0.777	S	S	*	*			trans	41.5	110.2	152.2	59.9	0	0	0	0	119	G73	S71-G73 PolarHBondContact O-N 2.95Å
72	N	24.2	Very low	28.3	Very low	177 Å²	177	136.1 Å²	136.1	95%	0.947	77%	0.767	S	S	*	*			trans	-48.2	101.4	167	-66.5	-26.7	0	0	0	113.2
73	G	25.2	Very low	29.8	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	76%	0.761	S	S	*	*			trans	-110	112.1	155.3	0	0	0	0	0	108.2	S71	S71-G73 PolarHBondContact O-N 2.95Å
74	T	22.8	Very low	31.2	Very low	133 Å²	133	130.8 Å²	130.8	82%	0.816	75%	0.754	S	S	*	*			trans	-56.5	135.3	174.2	11.3	0	0	0	0	110.2	S76	T74-S76 PolarHBondContact O-N 2.93Å
75	P	23.8	Very low	33.7	Very low	121 Å²	121	129.4 Å²	129.4	79%	0.786	74%	0.742	S	S	*	*			trans	-69.7	109.3	-172.4	26.1	-31.1	0	0	0	110.3	V77	P75-V77 PolarHBondContact O-N 2.85Å
76	S	24.7	Very low	36.6	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	71%	0.713	S	S	*	*			trans	-70.4	108.4	173.1	-34.2	0	0	0	0	108.4	T74 K78	T74-S76 PolarHBondContact O-N 2.93Å; S76-K78 PolarHBondContact O-N 3.32Å; S76-K78 VanDerWaalsContact O-N 3.16Å
77	V	27.3	Very low	39.5	Very low	131 Å²	131	118.8 Å²	118.8	79%	0.794	69%	0.685	S	S	*	*			trans	-60.4	118.8	171.4	177.1	0	0	0	0	107.8	P75 R79	P75-V77 PolarHBondContact O-N 2.85Å; V77-R79 PolarHBondContact O-N 3.32Å
78	K	28.7	Very low	42.8	Very low	207 Å²	207	116.2 Å²	116.2	90%	0.9	67%	0.666	S	S	*	*			trans	-60.6	105.9	-177.7	-74.5	179.8	175.3	178.4	0	110	S76	S76-K78 PolarHBondContact O-N 3.32Å; S76-K78 VanDerWaalsContact O-N 3.16Å
79	R	45.6	Very low	45.9	Very low	150 Å²	150	109.1 Å²	109.1	57%	0.566	63%	0.63	S	S	*	*			trans	-59.3	136.9	166.8	-74.8	-179.8	176.7	-179.2	-2	109.2	V77 R81	V77-R79 PolarHBondContact O-N 3.32Å; R79-R81 PolarHBondContact O-N 2.66Å
80	S	43	Very low	49.1	Very low	110 Å²	110	104.1 Å²	104.1	77%	0.769	60%	0.598	S	S	*	*			trans	-72.2	78.1	167	172.4	0	0	0	0	109.1	M82	S80-M82 PolarHBondContact O-N 3.32Å
81	R	41.7	Very low	52.2	Low	189 Å²	189	99.4 Å²	99.4	71%	0.713	56%	0.564	S	S	*	*			trans	-64.8	104.8	157.2	-85.1	-175.9	174.9	173.4	-1.5	105.9	R79	R79-R81 PolarHBondContact O-N 2.66Å
82	M	49	Very low	55	Low	101 Å²	101	94.6 Å²	94.6	50%	0.498	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-59.9	153.5	166.4	-74.6	-169.4	67	0	0	108.8	S80 N84 T86 L88	S80-M82 PolarHBondContact O-N 3.32Å; M82-N84 PolarHBondContact O-N 3.15Å; M82-T86 WeakPolarHBondContact CB-OG1 3.47Å; M82-L88 HydrophobicContact SD-CD1 4Å
83	A	50.4	Low	58	Low	79 Å²	79	86.2 Å²	86.2	65%	0.653	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	137.2	171.2	0	0	0	0	0	109.3	T86	A83-T86 PolarHBondContact O-OG1 3.05Å
84	N	56.5	Low	61.1	Low	140 Å²	140	82.9 Å²	82.9	75%	0.749	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	38.7	171.5	-45.5	-20.6	0	0	0	118.3	M82 T86	M82-N84 PolarHBondContact O-N 3.15Å; N84-T86 VanDerWaalsContact C-N 3.28Å; N84-T86 PolarHBondContact O-N 2.86Å
85	N	72.9	Confident	64.3	Low	99 Å²	99	76.6 Å²	76.6	53%	0.529	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	44	173.7	-83.2	-2.7	0	0	0	113.1	S113	N85-S113 PolarHBondContact O-N 3.25Å
86	T	85.1	Confident	67.1	Low	32 Å²	32	71.1 Å²	71.1	20%	0.196	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-111	139.1	177.2	50	0	0	0	0	110.8	M82 A83 N84 I111	M82-T86 WeakPolarHBondContact CB-OG1 3.47Å; A83-T86 PolarHBondContact O-OG1 3.05Å; N84-T86 VanDerWaalsContact C-N 3.28Å; N84-T86 PolarHBondContact O-N 2.86Å; T86-I111 CarbonylContact C-O 3.54Å; T86-I111 WeakPolarHBondContact CA-O 3.48Å
87	H	86.5	Confident	69.6	Low	31 Å²	31	66.1 Å²	66.1	14%	0.144	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.4	-176.2	-58.2	-94	0	0	0	108.9	V89 C110 I111 D196	H87-V89 HydrophobicContact CB-CG2 4.43Å; H87-C110 WeakPolarHBondContact O-CA 3.33Å; H87-I111 HydrophobicContact CB-CB 4.4Å; H87-I111 PolarHBondContact N-O 3.12Å; H87-I111 PolarHBondContact O-N 3.16Å; H87-D196 VanDerWaalsContact CE1-CG 3.48Å; H87-D196 IonicContact CE1-OD1 3.84Å; H87-D196 PolarHBondContact CE1-OD1 2.91Å; H87-D196 IonicContact ND1-OD1 3.49Å; H87-D196 PolarHBondContact ND1-OD1 2.93Å; H87-D196 VanDerWaalsContact ND1-OD1 3.13Å; H87-D196 IonicContact ND1-OD2 3.62Å; H87-D196 IonicContact NE2-OD1 2.73Å
88	L	90.3	Very high	71.4	Confident	76 Å²	76	66 Å²	66	40%	0.398	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.6	173.5	-67	174.6	0	0	0	108	M82 D108 C109 C110	M82-L88 HydrophobicContact SD-CD1 4Å; L88-D108 HydrophobicContact CB-CB 3.91Å; L88-D108 HydrophobicContact CD2-CB 4.46Å; L88-C109 WeakPolarHBondContact CA-O 3.39Å; L88-C110 HydrophobicContact CD2-CB 3.65Å
89	V	90.4	Very high	73.2	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132	-176.2	-168.7	0	0	0	0	110.7	H87 L91 C109 F181 V192	H87-V89 HydrophobicContact CB-CG2 4.43Å; V89-L91 PolarHBondContact O-N 2.97Å; V89-C109 PolarHBondContact N-O 3.49Å; V89-C109 WeakPolarHBondContact O-CB 3.38Å; V89-C109 PolarHBondContact O-N 3.48Å; V89-F181 HydrophobicContact CB-CD1 3.97Å; V89-F181 HydrophobicContact CB-CE1 4.16Å; V89-F181 HydrophobicContact CG1-CB 4.5Å; V89-F181 HydrophobicContact CG1-CD1 3.74Å; V89-F181 HydrophobicContact CG1-CE1 4.4Å; V89-F181 HydrophobicContact CG1-CG 4.39Å; V89-V192 HydrophobicContact CB-CG2 4.08Å; V89-V192 HydrophobicContact CG1-CG2 3.72Å; V89-V192 HydrophobicContact CG2-CG2 3.98Å
90	P	90	Very high	74.7	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.065	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	120.2	179.9	-23.8	32.9	0	0	0	112.4	D108 F181 R182	P90-D108 WeakPolarHBondContact CA-OD1 3.42Å; P90-F181 WeakPolarHBondContact O-CA 3.47Å; P90-R182 HydrophobicContact CB-CB 3.98Å; P90-R182 PolarHBondContact O-N 3.32Å
91	L	91.1	Very high	76.3	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.6	176.2	-177.4	68.8	0	0	0	110.1	V89 I93 F94 G104 R105 C109 C118 L179 V180 F181	V89-L91 PolarHBondContact O-N 2.97Å; L91-I93 WeakPolarHBondContact CD1-O 3.31Å; L91-F94 HydrophobicContact CD2-CB 4.41Å; L91-G104 CarbonylContact O-C 3.48Å; L91-R105 WeakPolarHBondContact O-CA 3.49Å; L91-R105 WeakPolarHBondContact O-CG 3.43Å; L91-R105 PolarHBondContact O-N 2.74Å; L91-C109 HydrophobicContact CB-CB 3.79Å; L91-C109 HydrophobicContact CD2-CB 4.33Å; L91-C118 HydrophobicContact CD2-CB 3.62Å; L91-L179 HydrophobicContact CD1-CB 3.79Å; L91-L179 HydrophobicContact CD1-CD2 4.24Å; L91-L179 HydrophobicContact CD1-CG 4.37Å; L91-L179 HydrophobicContact CD2-CD2 4.44Å; L91-V180 WeakPolarHBondContact CD1-O 3.23Å; L91-F181 HydrophobicContact CB-CD1 4.48Å; L91-F181 HydrophobicContact CD1-CD1 4.13Å; L91-F181 HydrophobicContact CD1-CE1 4.08Å; L91-F181 HydrophobicContact CD1-CE2 4.48Å; L91-F181 HydrophobicContact CD1-CG 4.4Å; L91-F181 HydrophobicContact CD1-CZ 4.24Å
92	N	86.1	Confident	78.3	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-51.7	172	-76.1	-25.4	0	0	0	111.1	G104 V180 R182	N92-G104 PolarHBondContact O-N 3.43Å; N92-V180 WeakPolarHBondContact CA-O 2.96Å; N92-V180 WeakPolarHBondContact CB-O 3.48Å; N92-V180 PolarHBondContact N-O 3.45Å; N92-R182 WeakPolarHBondContact ND2-CA 3.28Å
93	I	87.6	Confident	79.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.7	-169.7	-62.6	168.1	0	0	0	109.7	L91 I101 F102 L179 V180 L283 V286 I287 L290	L91-I93 WeakPolarHBondContact CD1-O 3.31Å; I93-I101 HydrophobicContact CG2-CG2 3.37Å; I93-F102 WeakPolarHBondContact CA-O 3.41Å; I93-L179 WeakPolarHBondContact O-CA 3.46Å; I93-V180 HydrophobicContact CB-CB 4.12Å; I93-V180 HydrophobicContact CB-CG2 4.33Å; I93-V180 PolarHBondContact N-O 2.7Å; I93-V180 VanDerWaalsContact N-O 3.13Å; I93-V180 PolarHBondContact O-N 2.87Å; I93-L283 HydrophobicContact CD1-CD2 3.7Å; I93-L283 HydrophobicContact CG2-CD2 3.94Å; I93-V286 HydrophobicContact CD1-CB 4.16Å; I93-V286 HydrophobicContact CD1-CG1 3.49Å; I93-V286 VanDerWaalsContact CD1-CG1 3.49Å; I93-V286 HydrophobicContact CG1-CG1 4.13Å; I93-I287 HydrophobicContact CD1-CD1 4.29Å; I93-I287 HydrophobicContact CD1-CG1 3.53Å; I93-L290 HydrophobicContact CD1-CD1 4.12Å; I93-L290 HydrophobicContact CG1-CD1 3.77Å
94	F	90.7	Very high	81.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.2	161	-179	-87.4	0	0	0	108.4	L91 I96 F102 V120 V129 I131 L164 L177 I178 L179	L91-F94 HydrophobicContact CD2-CB 4.41Å; F94-I96 HydrophobicContact CE1-CG2 3.89Å; F94-F102 HydrophobicContact CB-CB 4.47Å; F94-F102 AromaticContact CD1-CD2 3.9Å; F94-F102 HydrophobicContact CD1-CD2 3.9Å; F94-F102 PolarHBondContact N-O 2.75Å; F94-F102 WeakPolarHBondContact O-CA 3.48Å; F94-F102 WeakPolarHBondContact O-CB 3.42Å; F94-F102 WeakPolarHBondContact O-CD2 3.44Å; F94-F102 PolarHBondContact O-N 3.49Å; F94-V120 HydrophobicContact CB-CB 4.37Å; F94-V120 HydrophobicContact CB-CG1 3.38Å; F94-V120 HydrophobicContact CD1-CG1 4.18Å; F94-V120 HydrophobicContact CD2-CG1 4.32Å; F94-V120 HydrophobicContact CG-CG1 3.72Å; F94-V129 HydrophobicContact CE2-CG1 4.19Å; F94-V129 HydrophobicContact CZ-CG1 4.1Å; F94-I131 HydrophobicContact CE2-CD1 4.13Å; F94-L164 HydrophobicContact CE1-CD1 3.84Å; F94-L164 HydrophobicContact CE1-CD2 4.48Å; F94-L177 HydrophobicContact CE2-CB 4.41Å; F94-L177 HydrophobicContact CZ-CB 4.19Å; F94-L177 HydrophobicContact CZ-CD1 4.36Å; F94-L177 HydrophobicContact CZ-CD2 4.34Å; F94-I178 CarbonylContact C-O 3.46Å; F94-I178 WeakPolarHBondContact CA-O 3.42Å; F94-L179 HydrophobicContact CD2-CD1 4.35Å; F94-L179 HydrophobicContact CD2-CD2 4.31Å; F94-L179 HydrophobicContact CD2-CG 3.93Å; F94-L179 HydrophobicContact CE2-CD1 4.29Å; F94-L179 HydrophobicContact CE2-CG 4.36Å
95	S	88.1	Confident	83	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.6	-178.5	176	0	0	0	0	112.2	G97 G100 L177 I178 L228	S95-G97 PolarHBondContact OG-N 3.38Å; S95-G97 PolarHBondContact OG-O 3.07Å; S95-G100 CarbonylContact C-O 3.05Å; S95-G100 WeakPolarHBondContact CA-O 3.45Å; S95-G100 PolarHBondContact OG-O 3.2Å; S95-G100 VanDerWaalsContact OG-O 3.11Å; S95-L177 CarbonylContact O-C 3.29Å; S95-L177 WeakPolarHBondContact O-CA 3.46Å; S95-I178 PolarHBondContact N-O 3.49Å; S95-I178 PolarHBondContact O-N 3.11Å; S95-L228 WeakPolarHBondContact OG-CD1 3.38Å
96	I	84.4	Confident	83.5	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.129	C	C	.	.	S	Bend	trans	-108.3	28.4	169.6	63	137.4	0	0	0	111.1	F94 G100 F102 L164 I166 I170 V174 L177	F94-I96 HydrophobicContact CE1-CG2 3.89Å; I96-G100 PolarHBondContact N-O 3.43Å; I96-F102 HydrophobicContact CG1-CE2 4.35Å; I96-L164 HydrophobicContact CG2-CD1 3.92Å; I96-I166 HydrophobicContact CD1-CD1 3.25Å; I96-I166 HydrophobicContact CD1-CG2 4.27Å; I96-I166 HydrophobicContact CG1-CD1 3.82Å; I96-I170 HydrophobicContact CD1-CG2 4.42Å; I96-V174 HydrophobicContact CB-CG1 3.9Å; I96-V174 HydrophobicContact CB-CG2 4.16Å; I96-V174 HydrophobicContact CD1-CG2 3.62Å; I96-V174 HydrophobicContact CG1-CG2 4.46Å; I96-L177 HydrophobicContact CB-CD2 4.45Å; I96-L177 HydrophobicContact CG2-CD2 3.6Å
97	G	75.4	Confident	83.6	Confident	6 Å²	6	27.1 Å²	27.1	6%	0.062	14%	0.139	C	C	.	.	S	Bend	trans	93.2	-166.6	-168.3	0	0	0	0	0	113	S95 S99 G100	S95-G97 PolarHBondContact OG-N 3.38Å; S95-G97 PolarHBondContact OG-O 3.07Å; G97-S99 PolarHBondContact O-N 2.89Å; G97-G100 CarbonylContact O-C 3.59Å; G97-G100 PolarHBondContact O-N 3.36Å
98	R	66	Low	83.8	Confident	129 Å²	129	29 Å²	29	49%	0.487	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.2	179.8	-80.8	-176.5	-176.4	148.9	11.1	114.7	G100 C226 G227 L228 L282 G393	R98-G100 VanDerWaalsContact C-N 3.34Å; R98-C226 PolarHBondContact N-O 3.41Å; R98-G227 WeakPolarHBondContact CG-O 3.38Å; R98-G227 PolarHBondContact NE-O 3.02Å; R98-L228 HydrophobicContact CG-CD2 4.41Å; R98-L282 HydrophobicContact CG-CD2 4.09Å; R98-G393 WeakPolarHBondContact O-CA 3.44Å
99	S	67.1	Low	84.1	Confident	63 Å²	63	25.4 Å²	25.4	44%	0.441	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.2	-174	-52.2	0	0	0	0	114.6	G97 I170	G97-S99 PolarHBondContact O-N 2.89Å; S99-I170 VanDerWaalsContact CB-CG2 3.46Å
100	G	75.6	Confident	84.3	Confident	4 Å²	4	26.9 Å²	26.9	4%	0.041	14%	0.142	C	C	.	.			trans	-163.2	105.7	177.4	0	0	0	0	0	110.2	S95 I96 G97 R98	S95-G100 CarbonylContact C-O 3.05Å; S95-G100 WeakPolarHBondContact CA-O 3.45Å; S95-G100 PolarHBondContact OG-O 3.2Å; S95-G100 VanDerWaalsContact OG-O 3.11Å; I96-G100 PolarHBondContact N-O 3.43Å; G97-G100 CarbonylContact O-C 3.59Å; G97-G100 PolarHBondContact O-N 3.36Å; R98-G100 VanDerWaalsContact C-N 3.34Å
101	I	78.2	Confident	84.5	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.8	174	-48.1	-179.3	0	0	0	106	I93 L228 L282 L283 L642 V643	I93-I101 HydrophobicContact CG2-CG2 3.37Å; I101-L228 HydrophobicContact CD1-CD2 3.8Å; I101-L228 HydrophobicContact CG1-CD2 4.46Å; I101-L282 HydrophobicContact CD1-CD2 3.45Å; I101-L282 VanDerWaalsContact CD1-CD2 3.45Å; I101-L282 HydrophobicContact CD1-CG 3.72Å; I101-L283 HydrophobicContact CG2-CD2 4.19Å; I101-L642 HydrophobicContact CB-CB 4.42Å; I101-L642 HydrophobicContact CB-CD1 3.91Å; I101-L642 HydrophobicContact CB-CG 4.37Å; I101-L642 HydrophobicContact CG2-CD1 3.44Å; I101-L642 VanDerWaalsContact CG2-CD1 3.44Å; I101-L642 HydrophobicContact CG2-CG 4.39Å; I101-V643 HydrophobicContact CD1-CG1 4.27Å
102	F	83.3	Confident	84.6	Confident	14 Å²	14	27 Å²	27	6%	0.061	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	-170.9	-54.6	-88.1	0	0	0	109.7	I93 F94 I96 G104 V120 K121 V122 L164 I166	I93-F102 WeakPolarHBondContact CA-O 3.41Å; F94-F102 HydrophobicContact CB-CB 4.47Å; F94-F102 AromaticContact CD1-CD2 3.9Å; F94-F102 HydrophobicContact CD1-CD2 3.9Å; F94-F102 PolarHBondContact N-O 2.75Å; F94-F102 WeakPolarHBondContact O-CA 3.48Å; F94-F102 WeakPolarHBondContact O-CB 3.42Å; F94-F102 WeakPolarHBondContact O-CD2 3.44Å; F94-F102 PolarHBondContact O-N 3.49Å; I96-F102 HydrophobicContact CG1-CE2 4.35Å; F102-G104 PolarHBondContact O-N 2.94Å; F102-V120 HydrophobicContact CB-CB 3.88Å; F102-V120 HydrophobicContact CB-CG2 4.32Å; F102-K121 WeakPolarHBondContact CD1-O 3.29Å; F102-V122 HydrophobicContact CD1-CG2 3.78Å; F102-V122 HydrophobicContact CE1-CG2 3.81Å; F102-L164 HydrophobicContact CE2-CD1 4.02Å; F102-L164 HydrophobicContact CE2-CD2 4.41Å; F102-L164 HydrophobicContact CZ-CB 3.99Å; F102-L164 HydrophobicContact CZ-CD1 4.32Å; F102-L164 HydrophobicContact CZ-CD2 4.39Å; F102-L164 HydrophobicContact CZ-CG 4.48Å; F102-I166 HydrophobicContact CE2-CD1 4.01Å; F102-I166 HydrophobicContact CZ-CD1 3.67Å; F102-I166 HydrophobicContact CZ-CG1 4.14Å
103	D	82.8	Confident	85	Confident	24 Å²	24	28.3 Å²	28.3	13%	0.128	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.9	171.8	-170.5	-15.3	0	0	0	109	R105 V120 K121 W126	D103-R105 VanDerWaalsContact OD1-CB 3.3Å; D103-R105 WeakPolarHBondContact OD1-CB 3.48Å; D103-R105 VanDerWaalsContact OD1-CG 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.44Å; D103-R105 IonicContact OD1-CZ 3.49Å; D103-R105 PolarHBondContact OD1-N 3.43Å; D103-R105 IonicContact OD1-NE 3.12Å; D103-R105 PolarHBondContact OD1-NE 3.36Å; D103-R105 IonicContact OD1-NH2 3.89Å; D103-R105 IonicContact OD2-CZ 3.12Å; D103-R105 IonicContact OD2-NE 2.69Å; D103-R105 PolarHBondContact OD2-NE 2.92Å; D103-R105 IonicContact OD2-NH2 3.87Å; D103-R105 PolarHBondContact OD2-NH2 2.77Å; D103-V120 CarbonylContact O-C 3.47Å; D103-V120 VanDerWaalsContact O-CA 3.23Å; D103-V120 WeakPolarHBondContact O-CA 3.45Å; D103-K121 HydrophobicContact CB-CB 4.23Å; D103-K121 PolarHBondContact O-N 2.66Å; D103-W126 HydrophobicContact CB-CH2 4.36Å; D103-W126 VanDerWaalsContact O-CZ3 3.31Å; D103-W126 WeakPolarHBondContact O-CZ3 3.38Å
104	G	87.4	Confident	85.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.			trans	-108.7	7.5	-179.2	0	0	0	0	0	114.7	L91 N92 F102 A106 K119	L91-G104 CarbonylContact O-C 3.48Å; N92-G104 PolarHBondContact O-N 3.43Å; F102-G104 PolarHBondContact O-N 2.94Å; G104-A106 VanDerWaalsContact C-N 3.34Å; G104-A106 PolarHBondContact O-N 3.42Å; G104-K119 WeakPolarHBondContact CA-O 3.2Å
105	R	84	Confident	85.5	Confident	61 Å²	61	30.7 Å²	30.7	23%	0.23	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.8	-165.8	-62.7	174.2	-60.1	158.5	7.8	115.8	L91 D103 E107 L290 S293	L91-R105 WeakPolarHBondContact O-CA 3.49Å; L91-R105 WeakPolarHBondContact O-CG 3.43Å; L91-R105 PolarHBondContact O-N 2.74Å; D103-R105 VanDerWaalsContact OD1-CB 3.3Å; D103-R105 WeakPolarHBondContact OD1-CB 3.48Å; D103-R105 VanDerWaalsContact OD1-CG 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.44Å; D103-R105 IonicContact OD1-CZ 3.49Å; D103-R105 PolarHBondContact OD1-N 3.43Å; D103-R105 IonicContact OD1-NE 3.12Å; D103-R105 PolarHBondContact OD1-NE 3.36Å; D103-R105 IonicContact OD1-NH2 3.89Å; D103-R105 IonicContact OD2-CZ 3.12Å; D103-R105 IonicContact OD2-NE 2.69Å; D103-R105 PolarHBondContact OD2-NE 2.92Å; D103-R105 IonicContact OD2-NH2 3.87Å; D103-R105 PolarHBondContact OD2-NH2 2.77Å; R105-E107 PolarHBondContact O-N 3.22Å; R105-L290 PolarHBondContact NH1-O 2.76Å; R105-S293 PolarHBondContact NH1-OG 2.67Å
106	A	83.2	Confident	85.9	Confident	36 Å²	36	30.7 Å²	30.7	30%	0.298	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-44.6	-177	0	0	0	0	0	113	G104 K119 W126	G104-A106 VanDerWaalsContact C-N 3.34Å; G104-A106 PolarHBondContact O-N 3.42Å; A106-K119 HydrophobicContact CB-CB 4.32Å; A106-W126 HydrophobicContact CB-CD2 3.58Å; A106-W126 HydrophobicContact CB-CE3 3.42Å; A106-W126 VanDerWaalsContact CB-CE3 3.42Å; A106-W126 HydrophobicContact CB-CG 4.35Å; A106-W126 HydrophobicContact CB-CH2 3.61Å; A106-W126 HydrophobicContact CB-CZ2 3.76Å; A106-W126 HydrophobicContact CB-CZ3 3.42Å; A106-W126 VanDerWaalsContact CB-CZ3 3.42Å
107	E	87.9	Confident	86.5	Confident	86 Å²	86	31.8 Å²	31.8	40%	0.402	18%	0.178	S	C	.	.	S	Bend	trans	-149.7	164.9	-178.7	64.7	-171.5	-169.6	0	0	109.5	R105 C109 K119	R105-E107 PolarHBondContact O-N 3.22Å; E107-C109 PolarHBondContact O-N 3.42Å; E107-K119 VanDerWaalsContact CD-CD 3.47Å; E107-K119 VanDerWaalsContact CD-NZ 3.32Å; E107-K119 HydrophobicContact CG-CB 4.21Å; E107-K119 HydrophobicContact CG-CD 4.24Å; E107-K119 HydrophobicContact CG-CG 4.39Å; E107-K119 WeakPolarHBondContact OE1-CD 3.27Å; E107-K119 WeakPolarHBondContact OE1-CE 3.38Å; E107-K119 VanDerWaalsContact OE1-CG 3.23Å; E107-K119 WeakPolarHBondContact OE1-CG 3.25Å; E107-K119 IonicContact OE1-NZ 3Å; E107-K119 PolarHBondContact OE1-NZ 3.42Å; E107-K119 IonicContact OE2-NZ 2.91Å; E107-K119 PolarHBondContact OE2-NZ 2.86Å
108	D	91.2	Very high	87.5	Confident	70 Å²	70	31.8 Å²	31.8	37%	0.374	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.5	177.2	-67.6	-22.8	0	0	0	110.7	L88 P90 C110	L88-D108 HydrophobicContact CB-CB 3.91Å; L88-D108 HydrophobicContact CD2-CB 4.46Å; P90-D108 WeakPolarHBondContact CA-OD1 3.42Å; D108-C110 PolarHBondContact O-N 3.06Å
109	C	94.6	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.1	173.1	171.2	0	0	0	0	109.2	L88 V89 L91 E107 S117 C118 F181	L88-C109 WeakPolarHBondContact CA-O 3.39Å; V89-C109 PolarHBondContact N-O 3.49Å; V89-C109 WeakPolarHBondContact O-CB 3.38Å; V89-C109 PolarHBondContact O-N 3.48Å; L91-C109 HydrophobicContact CB-CB 3.79Å; L91-C109 HydrophobicContact CD2-CB 4.33Å; E107-C109 PolarHBondContact O-N 3.42Å; C109-S117 CarbonylContact C-O 3.46Å; C109-S117 WeakPolarHBondContact CA-O 3.02Å; C109-S117 PolarHBondContact SG-O 2.96Å; C109-C118 HydrophobicContact CB-CB 3.98Å; C109-F181 HydrophobicContact CB-CE1 3.83Å
110	C	94.7	Very high	89.8	Confident	38 Å²	38	25.5 Å²	25.5	26%	0.257	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.8	178.2	-175	0	0	0	0	110.6	H87 L88 D108 I116 S117	H87-C110 WeakPolarHBondContact O-CA 3.33Å; L88-C110 HydrophobicContact CD2-CB 3.65Å; D108-C110 PolarHBondContact O-N 3.06Å; C110-I116 CarbonylContact O-C 3.36Å; C110-S117 PolarHBondContact N-O 3.46Å; C110-S117 PolarHBondContact O-N 2.95Å
111	I	94.8	Very high	90	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.5	172.9	-57.5	173	0	0	0	107.2	T86 H87 I116 I148 F181 V192 L197 L200	T86-I111 CarbonylContact C-O 3.54Å; T86-I111 WeakPolarHBondContact CA-O 3.48Å; H87-I111 HydrophobicContact CB-CB 4.4Å; H87-I111 PolarHBondContact N-O 3.12Å; H87-I111 PolarHBondContact O-N 3.16Å; I111-I116 HydrophobicContact CG1-CG1 4.48Å; I111-I148 HydrophobicContact CD1-CD1 3.96Å; I111-F181 HydrophobicContact CD1-CE1 4.16Å; I111-F181 HydrophobicContact CD1-CZ 3.94Å; I111-V192 HydrophobicContact CD1-CG1 4.18Å; I111-V192 HydrophobicContact CD1-CG2 3.94Å; I111-L197 HydrophobicContact CD1-CD2 4.35Å; I111-L197 HydrophobicContact CG2-CD2 3.67Å; I111-L200 HydrophobicContact CG2-CD2 4.37Å
112	S	94.4	Very high	90	Very high	14 Å²	14	29.4 Å²	29.4	10%	0.098	16%	0.161	C	C	.	.			trans	-110.9	173.9	174	76	0	0	0	0	110.6	S114 S115 L200	S112-S114 PolarHBondContact O-N 2.96Å; S112-S114 PolarHBondContact OG-N 3.44Å; S112-S114 VanDerWaalsContact OG-N 3.15Å; S112-S114 PolarHBondContact OG-OG 3.5Å; S112-S115 PolarHBondContact N-O 3.22Å; S112-S115 PolarHBondContact OG-N 3.03Å; S112-S115 PolarHBondContact OG-O 2.92Å; S112-S115 PolarHBondContact OG-OG 3.18Å; S112-L200 WeakPolarHBondContact O-CB 3.03Å
113	S	92.8	Very high	89.5	Confident	39 Å²	39	32.8 Å²	32.8	27%	0.273	18%	0.176	S	C	.	.	S	Bend	trans	-62.5	-8.6	171	58.7	0	0	0	0	114.7	N85 L200 R203	N85-S113 PolarHBondContact O-N 3.25Å; S113-L200 WeakPolarHBondContact O-CA 3.42Å; S113-R203 WeakPolarHBondContact O-CG 3.42Å
114	S	93.9	Very high	88.7	Confident	39 Å²	39	33.6 Å²	33.6	27%	0.273	19%	0.191	S	C	.	.	S	Bend	trans	-132.1	-9.7	-175.2	50.1	0	0	0	0	114.9	S112 H133	S112-S114 PolarHBondContact O-N 2.96Å; S112-S114 PolarHBondContact OG-N 3.44Å; S112-S114 VanDerWaalsContact OG-N 3.15Å; S112-S114 PolarHBondContact OG-OG 3.5Å; S114-H133 WeakPolarHBondContact O-CB 3.17Å; S114-H133 PolarHBondContact O-CD2 3.32Å; S114-H133 PolarHBondContact O-N 3.41Å
115	S	95.8	Very high	88.2	Confident	11 Å²	11	37.4 Å²	37.4	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159.5	-176	64.2	0	0	0	0	113.1	S112 I131	S112-S115 PolarHBondContact N-O 3.22Å; S112-S115 PolarHBondContact OG-N 3.03Å; S112-S115 PolarHBondContact OG-O 2.92Å; S112-S115 PolarHBondContact OG-OG 3.18Å; S115-I131 CarbonylContact C-O 3.57Å; S115-I131 WeakPolarHBondContact CA-O 3.42Å; S115-I131 WeakPolarHBondContact CB-O 3.46Å
116	I	97	Very high	88.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.3	164.4	-60.9	175.5	0	0	0	107.3	C110 I111 T130 I131 M136 L139 I148 V150 L179 L200	C110-I116 CarbonylContact O-C 3.36Å; I111-I116 HydrophobicContact CG1-CG1 4.48Å; I116-T130 WeakPolarHBondContact O-CA 3.37Å; I116-I131 PolarHBondContact N-O 3.03Å; I116-I131 PolarHBondContact O-N 3.27Å; I116-M136 HydrophobicContact CB-CE 4.43Å; I116-M136 HydrophobicContact CD1-CE 4.21Å; I116-M136 HydrophobicContact CG1-CE 4.07Å; I116-L139 HydrophobicContact CD1-CD1 4.36Å; I116-I148 HydrophobicContact CD1-CD1 4.15Å; I116-I148 HydrophobicContact CD1-CG2 4.09Å; I116-V150 HydrophobicContact CD1-CG2 4.32Å; I116-L179 HydrophobicContact CG2-CD2 3.6Å; I116-L200 HydrophobicContact CD1-CD2 3.7Å; I116-L200 HydrophobicContact CG1-CD2 3.47Å; I116-L200 VanDerWaalsContact CG1-CD2 3.47Å
117	S	96.2	Very high	88.6	Confident	29 Å²	29	38.1 Å²	38.1	20%	0.203	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.6	-177.3	-42.1	0	0	0	0	110.2	C109 C110 V129 T130	C109-S117 CarbonylContact C-O 3.46Å; C109-S117 WeakPolarHBondContact CA-O 3.02Å; C109-S117 PolarHBondContact SG-O 2.96Å; C110-S117 PolarHBondContact N-O 3.46Å; C110-S117 PolarHBondContact O-N 2.95Å; S117-V129 CarbonylContact C-O 3.5Å; S117-V129 WeakPolarHBondContact CA-O 3.35Å; S117-T130 WeakPolarHBondContact OG-CG2 3.25Å
118	C	96	Very high	88.9	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.034	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	166.1	179.3	60.9	0	0	0	0	110.8	L91 C109 S128 V129	L91-C118 HydrophobicContact CD2-CB 3.62Å; C109-C118 HydrophobicContact CB-CB 3.98Å; C118-S128 CarbonylContact O-C 3.46Å; C118-S128 WeakPolarHBondContact O-CA 3.07Å; C118-V129 PolarHBondContact N-O 3.35Å; C118-V129 PolarHBondContact O-N 3.19Å
119	K	93.5	Very high	89.1	Confident	60 Å²	60	33.9 Å²	33.9	26%	0.261	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.6	167	-81.9	-179	-166.3	148.6	0	110.4	G104 A106 E107 W126 T127 S128	G104-K119 WeakPolarHBondContact CA-O 3.2Å; A106-K119 HydrophobicContact CB-CB 4.32Å; E107-K119 VanDerWaalsContact CD-CD 3.47Å; E107-K119 VanDerWaalsContact CD-NZ 3.32Å; E107-K119 HydrophobicContact CG-CB 4.21Å; E107-K119 HydrophobicContact CG-CD 4.24Å; E107-K119 HydrophobicContact CG-CG 4.39Å; E107-K119 WeakPolarHBondContact OE1-CD 3.27Å; E107-K119 WeakPolarHBondContact OE1-CE 3.38Å; E107-K119 VanDerWaalsContact OE1-CG 3.23Å; E107-K119 WeakPolarHBondContact OE1-CG 3.25Å; E107-K119 IonicContact OE1-NZ 3Å; E107-K119 PolarHBondContact OE1-NZ 3.42Å; E107-K119 IonicContact OE2-NZ 2.91Å; E107-K119 PolarHBondContact OE2-NZ 2.86Å; K119-W126 HydrophobicContact CB-CE3 4.39Å; K119-T127 WeakPolarHBondContact CA-O 3.28Å; K119-S128 WeakPolarHBondContact CE-OG 2.82Å; K119-S128 WeakPolarHBondContact CG-OG 3.11Å
120	V	88.5	Confident	89.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.9	-178.9	-52.2	0	0	0	0	110.1	F94 F102 D103 V122 T127 V129 L164	F94-V120 HydrophobicContact CB-CB 4.37Å; F94-V120 HydrophobicContact CB-CG1 3.38Å; F94-V120 HydrophobicContact CD1-CG1 4.18Å; F94-V120 HydrophobicContact CD2-CG1 4.32Å; F94-V120 HydrophobicContact CG-CG1 3.72Å; F102-V120 HydrophobicContact CB-CB 3.88Å; F102-V120 HydrophobicContact CB-CG2 4.32Å; D103-V120 CarbonylContact O-C 3.47Å; D103-V120 VanDerWaalsContact O-CA 3.23Å; D103-V120 WeakPolarHBondContact O-CA 3.45Å; V120-V122 HydrophobicContact CG2-CG2 3.87Å; V120-V122 PolarHBondContact O-N 2.93Å; V120-T127 PolarHBondContact N-O 3.01Å; V120-T127 PolarHBondContact O-N 2.88Å; V120-V129 HydrophobicContact CG1-CG2 4.3Å; V120-V129 HydrophobicContact CG2-CG2 3.57Å; V120-L164 HydrophobicContact CG2-CD2 3.79Å
121	K	78.9	Confident	89.2	Confident	88 Å²	88	34.9 Å²	34.9	38%	0.383	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.4	-179.7	-163.6	169.9	-175.8	175	0	110.2	F102 D103 G124 V125 W126	F102-K121 WeakPolarHBondContact CD1-O 3.29Å; D103-K121 HydrophobicContact CB-CB 4.23Å; D103-K121 PolarHBondContact O-N 2.66Å; K121-G124 WeakPolarHBondContact CE-O 3.17Å; K121-V125 CarbonylContact C-O 3.05Å; K121-V125 WeakPolarHBondContact CA-O 3.43Å; K121-W126 HydrophobicContact CB-CD2 4.24Å; K121-W126 HydrophobicContact CB-CE3 3.86Å; K121-W126 HydrophobicContact CB-CH2 3.93Å; K121-W126 HydrophobicContact CB-CZ2 4.29Å; K121-W126 HydrophobicContact CB-CZ3 3.72Å; K121-W126 HydrophobicContact CD-CH2 4.43Å; K121-W126 HydrophobicContact CD-CZ2 4.09Å; K121-W126 HydrophobicContact CG-CD2 4.49Å
122	V	79.6	Confident	89.3	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.8	178.9	175.1	0	0	0	0	108.1	F102 V120 G124 V125 L164 R165	F102-V122 HydrophobicContact CD1-CG2 3.78Å; F102-V122 HydrophobicContact CE1-CG2 3.81Å; V120-V122 HydrophobicContact CG2-CG2 3.87Å; V120-V122 PolarHBondContact O-N 2.93Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact O-N 3.13Å; V122-V125 PolarHBondContact N-O 3.04Å; V122-V125 PolarHBondContact O-N 2.99Å; V122-L164 WeakPolarHBondContact CG1-O 3.49Å; V122-L164 HydrophobicContact CG2-CD2 3.81Å; V122-R165 HydrophobicContact CG1-CB 4.17Å; V122-R165 HydrophobicContact CG1-CG 4.16Å
123	E	71.5	Confident	89.3	Confident	84 Å²	84	39 Å²	39	39%	0.393	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	41.7	-179	-61.9	-179.6	173.2	0	0	113	V125 R165	E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 2.61Å; E123-R165 WeakPolarHBondContact OE2-CD 3.38Å; E123-R165 IonicContact OE2-CZ 3.98Å; E123-R165 IonicContact OE2-NE 3.45Å; E123-R165 IonicContact OE2-NH1 2.73Å; E123-R165 PolarHBondContact OE2-NH1 3.45Å
124	G	66.3	Low	89.4	Confident	42 Å²	42	42 Å²	42	43%	0.433	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-19.2	179.8	0	0	0	0	0	115.6	K121 V122	K121-G124 WeakPolarHBondContact CE-O 3.17Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact O-N 3.13Å
125	V	78.4	Confident	89.4	Confident	79 Å²	79	41.2 Å²	41.2	48%	0.479	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.5	-177.4	-176.9	0	0	0	0	110.7	K121 V122 E123 T127	K121-V125 CarbonylContact C-O 3.05Å; K121-V125 WeakPolarHBondContact CA-O 3.43Å; V122-V125 PolarHBondContact N-O 3.04Å; V122-V125 PolarHBondContact O-N 2.99Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 2.61Å; V125-T127 PolarHBondContact O-N 3.32Å
126	W	84.1	Confident	89.4	Confident	89 Å²	89	41 Å²	41	34%	0.337	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	110.2	173.3	-70.2	109.7	0	0	0	110.7	D103 A106 K119 K121	D103-W126 HydrophobicContact CB-CH2 4.36Å; D103-W126 VanDerWaalsContact O-CZ3 3.31Å; D103-W126 WeakPolarHBondContact O-CZ3 3.38Å; A106-W126 HydrophobicContact CB-CD2 3.58Å; A106-W126 HydrophobicContact CB-CE3 3.42Å; A106-W126 VanDerWaalsContact CB-CE3 3.42Å; A106-W126 HydrophobicContact CB-CG 4.35Å; A106-W126 HydrophobicContact CB-CH2 3.61Å; A106-W126 HydrophobicContact CB-CZ2 3.76Å; A106-W126 HydrophobicContact CB-CZ3 3.42Å; A106-W126 VanDerWaalsContact CB-CZ3 3.42Å; K119-W126 HydrophobicContact CB-CE3 4.39Å; K121-W126 HydrophobicContact CB-CD2 4.24Å; K121-W126 HydrophobicContact CB-CE3 3.86Å; K121-W126 HydrophobicContact CB-CH2 3.93Å; K121-W126 HydrophobicContact CB-CZ2 4.29Å; K121-W126 HydrophobicContact CB-CZ3 3.72Å; K121-W126 HydrophobicContact CD-CH2 4.43Å; K121-W126 HydrophobicContact CD-CZ2 4.09Å; K121-W126 HydrophobicContact CG-CD2 4.49Å
127	T	89.8	Confident	89.3	Confident	24 Å²	24	44.1 Å²	44.1	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131	-179.3	-59.4	0	0	0	0	110.1	K119 V120 V125 L163	K119-T127 WeakPolarHBondContact CA-O 3.28Å; V120-T127 PolarHBondContact N-O 3.01Å; V120-T127 PolarHBondContact O-N 2.88Å; V125-T127 PolarHBondContact O-N 3.32Å; T127-L163 HydrophobicContact CG2-CD1 3.48Å; T127-L163 VanDerWaalsContact CG2-CD1 3.48Å; T127-L163 HydrophobicContact CG2-CG 3.78Å
128	S	94.6	Very high	89.3	Confident	66 Å²	66	45.8 Å²	45.8	46%	0.462	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.8	176.4	-58.4	0	0	0	0	110.4	C118 K119	C118-S128 CarbonylContact O-C 3.46Å; C118-S128 WeakPolarHBondContact O-CA 3.07Å; K119-S128 WeakPolarHBondContact CE-OG 2.82Å; K119-S128 WeakPolarHBondContact CG-OG 3.11Å
129	V	95	Very high	89.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.3	176.7	-176.8	0	0	0	0	108.3	F94 S117 C118 V120 I131 L160 L163 L164	F94-V129 HydrophobicContact CE2-CG1 4.19Å; F94-V129 HydrophobicContact CZ-CG1 4.1Å; S117-V129 CarbonylContact C-O 3.5Å; S117-V129 WeakPolarHBondContact CA-O 3.35Å; C118-V129 PolarHBondContact N-O 3.35Å; C118-V129 PolarHBondContact O-N 3.19Å; V120-V129 HydrophobicContact CG1-CG2 4.3Å; V120-V129 HydrophobicContact CG2-CG2 3.57Å; V129-I131 HydrophobicContact CG1-CG1 4.28Å; V129-L160 HydrophobicContact CG1-CD2 4.37Å; V129-L163 HydrophobicContact CB-CD2 4.12Å; V129-L163 HydrophobicContact CG1-CD2 4.05Å; V129-L163 HydrophobicContact CG2-CD2 3.75Å; V129-L163 HydrophobicContact CG2-CG 4.41Å; V129-L164 HydrophobicContact CG2-CD2 3.93Å
130	T	96	Very high	89.5	Confident	59 Å²	59	42.9 Å²	42.9	36%	0.362	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.5	175.2	-61.2	0	0	0	0	109.2	I116 S117	I116-T130 WeakPolarHBondContact O-CA 3.37Å; S117-T130 WeakPolarHBondContact OG-CG2 3.25Å
131	I	96.3	Very high	89.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	108.5	177	-46.9	168.5	0	0	0	107.1	F94 S115 I116 V129 N135 M136 V150 F156 L177 L179	F94-I131 HydrophobicContact CE2-CD1 4.13Å; S115-I131 CarbonylContact C-O 3.57Å; S115-I131 WeakPolarHBondContact CA-O 3.42Å; S115-I131 WeakPolarHBondContact CB-O 3.46Å; I116-I131 PolarHBondContact N-O 3.03Å; I116-I131 PolarHBondContact O-N 3.27Å; V129-I131 HydrophobicContact CG1-CG1 4.28Å; I131-N135 HydrophobicContact CG2-CB 4.44Å; I131-M136 HydrophobicContact CB-CE 3.88Å; I131-M136 HydrophobicContact CG2-CE 3.58Å; I131-M136 HydrophobicContact CG2-CG 3.86Å; I131-M136 HydrophobicContact CG2-SD 4.48Å; I131-M136 WeakPolarHBondContact O-CE 3.48Å; I131-V150 HydrophobicContact CG2-CG1 4.23Å; I131-F156 HydrophobicContact CB-CE1 4.29Å; I131-F156 HydrophobicContact CB-CZ 4.31Å; I131-F156 HydrophobicContact CG1-CE1 3.9Å; I131-F156 HydrophobicContact CG1-CZ 3.96Å; I131-F156 HydrophobicContact CG2-CD1 4.45Å; I131-F156 HydrophobicContact CG2-CE1 3.88Å; I131-F156 HydrophobicContact CG2-CZ 4.29Å; I131-L177 HydrophobicContact CD1-CD1 3.62Å; I131-L177 HydrophobicContact CG1-CD1 4.24Å; I131-L179 HydrophobicContact CD1-CD1 4.47Å
132	Q	95.8	Very high	90.6	Very high	73 Å²	73	38.7 Å²	38.7	34%	0.341	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152.6	174.9	-62.7	-68.4	-40.5	0	0	110.3	N134 N135 M136	Q132-N134 WeakPolarHBondContact CB-OD1 3.44Å; Q132-N134 PolarHBondContact O-N 3.33Å; Q132-N134 VanDerWaalsContact O-N 3.17Å; Q132-N135 WeakPolarHBondContact O-CA 3.19Å; Q132-N135 WeakPolarHBondContact O-CB 2.96Å; Q132-N135 PolarHBondContact O-N 3.44Å; Q132-M136 WeakPolarHBondContact O-CG 3.34Å
133	H	95	Very high	91.2	Very high	29 Å²	29	41.9 Å²	41.9	13%	0.134	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.6	-35.4	-177.8	72.1	71.8	0	0	0	112.7	S114 N135 M136 L200 R203 V204	S114-H133 WeakPolarHBondContact O-CB 3.17Å; S114-H133 PolarHBondContact O-CD2 3.32Å; S114-H133 PolarHBondContact O-N 3.41Å; H133-N135 PolarHBondContact O-N 3.19Å; H133-M136 WeakPolarHBondContact O-CB 3.34Å; H133-M136 PolarHBondContact O-N 3.33Å; H133-L200 HydrophobicContact CB-CD1 4.07Å; H133-R203 HydrophobicContact CB-CB 3.91Å; H133-V204 HydrophobicContact CB-CG2 4.04Å
134	N	94.3	Very high	91.9	Very high	101 Å²	101	43.5 Å²	43.5	54%	0.54	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-75.5	-8.1	-180	64.1	-20.7	0	0	0	112.8	Q132	Q132-N134 WeakPolarHBondContact CB-OD1 3.44Å; Q132-N134 PolarHBondContact O-N 3.33Å; Q132-N134 VanDerWaalsContact O-N 3.17Å
135	N	94.7	Very high	92.9	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.123	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-94.7	1.8	169	-60.1	138.6	0	0	0	112.6	I131 Q132 H133 P152 S153 F156	I131-N135 HydrophobicContact CG2-CB 4.44Å; Q132-N135 WeakPolarHBondContact O-CA 3.19Å; Q132-N135 WeakPolarHBondContact O-CB 2.96Å; Q132-N135 PolarHBondContact O-N 3.44Å; H133-N135 PolarHBondContact O-N 3.19Å; N135-P152 CarbonylContact O-C 3.21Å; N135-P152 WeakPolarHBondContact O-CA 3.46Å; N135-S153 PolarHBondContact O-N 3.19Å; N135-F156 HydrophobicContact CB-CB 3.75Å; N135-F156 HydrophobicContact CB-CD1 4.08Å; N135-F156 HydrophobicContact CB-CD2 3.93Å; N135-F156 HydrophobicContact CB-CG 3.65Å
136	M	95.1	Very high	93.6	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.034	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.8	179.7	-48.4	-175.8	-172.4	0	0	109.8	I116 I131 Q132 H133 L139 V150 L200 V204	I116-M136 HydrophobicContact CB-CE 4.43Å; I116-M136 HydrophobicContact CD1-CE 4.21Å; I116-M136 HydrophobicContact CG1-CE 4.07Å; I131-M136 HydrophobicContact CB-CE 3.88Å; I131-M136 HydrophobicContact CG2-CE 3.58Å; I131-M136 HydrophobicContact CG2-CG 3.86Å; I131-M136 HydrophobicContact CG2-SD 4.48Å; I131-M136 WeakPolarHBondContact O-CE 3.48Å; Q132-M136 WeakPolarHBondContact O-CG 3.34Å; H133-M136 WeakPolarHBondContact O-CB 3.34Å; H133-M136 PolarHBondContact O-N 3.33Å; M136-L139 HydrophobicContact SD-CD1 4.44Å; M136-V150 HydrophobicContact CB-CG1 3.88Å; M136-V150 HydrophobicContact CG-CG1 3.61Å; M136-V150 HydrophobicContact SD-CG1 4.18Å; M136-V150 HydrophobicContact SD-CG2 4.45Å; M136-L200 HydrophobicContact CE-CD1 4.22Å; M136-L200 HydrophobicContact CE-CD2 4.22Å; M136-L200 HydrophobicContact SD-CD1 4.46Å; M136-L200 HydrophobicContact SD-CD2 4.41Å; M136-V204 HydrophobicContact CB-CG1 4.15Å; M136-V204 HydrophobicContact CB-CG2 3.96Å; M136-V204 HydrophobicContact CG-CG2 4.32Å; M136-V204 HydrophobicContact SD-CG2 3.69Å
137	E	94.9	Very high	94	Very high	65 Å²	65	34.5 Å²	34.5	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-34.5	169.8	-66.3	179.6	-174.3	0	0	111	K151 S153 G208 S209	E137-K151 HydrophobicContact CB-CB 4.39Å; E137-K151 HydrophobicContact CB-CD 4.3Å; E137-K151 HydrophobicContact CB-CG 4.28Å; E137-K151 PolarHBondContact N-O 2.77Å; E137-K151 WeakPolarHBondContact OE2-CE 3.45Å; E137-K151 IonicContact OE2-NZ 3.3Å; E137-K151 PolarHBondContact OE2-NZ 3.34Å; E137-S153 WeakPolarHBondContact OE1-CA 2.96Å; E137-G208 WeakPolarHBondContact O-CA 3.36Å; E137-S209 PolarHBondContact O-N 3.49Å
138	M	96.4	Very high	94.3	Very high	64 Å²	64	33.4 Å²	33.4	32%	0.315	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	134.5	179.7	-168.3	176.8	-75.5	0	0	110.9	V140 V150 K151 W176 S209	M138-V140 HydrophobicContact CG-CG2 4.03Å; M138-V140 HydrophobicContact SD-CG2 4.14Å; M138-V150 CarbonylContact O-C 3.43Å; M138-V150 WeakPolarHBondContact O-CA 3.39Å; M138-K151 HydrophobicContact CB-CB 3.69Å; M138-K151 HydrophobicContact CB-CD 4.37Å; M138-K151 PolarHBondContact O-N 2.69Å; M138-W176 HydrophobicContact CB-CH2 4.47Å; M138-W176 HydrophobicContact CB-CZ3 4.43Å; M138-W176 HydrophobicContact CG-CH2 4.09Å; M138-W176 HydrophobicContact CG-CZ3 4.36Å; M138-W176 HydrophobicContact SD-CH2 3.53Å; M138-W176 VanDerWaalsContact SD-CH2 3.53Å; M138-W176 HydrophobicContact SD-CZ2 4.29Å; M138-W176 HydrophobicContact SD-CZ3 4.35Å; M138-S209 CarbonylContact C-O 3.59Å; M138-S209 VanDerWaalsContact CA-O 3.23Å; M138-S209 WeakPolarHBondContact CA-O 3.44Å; M138-S209 WeakPolarHBondContact CE-OG 3.49Å; M138-S209 WeakPolarHBondContact CG-OG 3.34Å
139	L	97.6	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.5	173.1	178	68.9	0	0	0	109.8	I116 M136 I148 V150 L200 A201 V204 S209 C210 D211	I116-L139 HydrophobicContact CD1-CD1 4.36Å; M136-L139 HydrophobicContact SD-CD1 4.44Å; L139-I148 HydrophobicContact CD1-CG2 3.49Å; L139-I148 VanDerWaalsContact CD1-CG2 3.49Å; L139-V150 HydrophobicContact CD1-CG2 3.84Å; L139-L200 HydrophobicContact CD2-CD2 4.08Å; L139-L200 HydrophobicContact CD2-CG 4.12Å; L139-A201 HydrophobicContact CD2-CB 4.34Å; L139-V204 HydrophobicContact CB-CG1 4.11Å; L139-V204 HydrophobicContact CB-CG2 4.42Å; L139-V204 HydrophobicContact CD2-CG2 4.41Å; L139-S209 PolarHBondContact N-O 2.92Å; L139-C210 HydrophobicContact CB-CB 4.19Å; L139-C210 CarbonylContact O-C 3.57Å; L139-C210 WeakPolarHBondContact O-CA 3.34Å; L139-C210 VanDerWaalsContact O-CB 3.32Å; L139-C210 WeakPolarHBondContact O-CB 2.8Å; L139-D211 PolarHBondContact O-N 2.99Å
140	V	97.3	Very high	94.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.4	176.3	-178.4	0	0	0	0	108.6	M138 I148 F149 W176 D211 C214 I222	M138-V140 HydrophobicContact CG-CG2 4.03Å; M138-V140 HydrophobicContact SD-CG2 4.14Å; V140-I148 CarbonylContact O-C 3.54Å; V140-I148 WeakPolarHBondContact O-CA 3.42Å; V140-F149 HydrophobicContact CB-CB 4.16Å; V140-F149 HydrophobicContact CB-CD2 4.18Å; V140-F149 HydrophobicContact CG1-CD2 4.12Å; V140-F149 PolarHBondContact N-O 2.77Å; V140-F149 PolarHBondContact O-N 3.23Å; V140-W176 HydrophobicContact CB-CH2 4.39Å; V140-W176 HydrophobicContact CB-CZ3 4.35Å; V140-W176 HydrophobicContact CG2-CH2 3.52Å; V140-W176 HydrophobicContact CG2-CZ3 3.81Å; V140-D211 CarbonylContact C-O 3.54Å; V140-D211 VanDerWaalsContact CA-O 3.28Å; V140-D211 WeakPolarHBondContact CA-O 3.42Å; V140-D211 HydrophobicContact CG1-CB 4.35Å; V140-D211 HydrophobicContact CG2-CB 4.3Å; V140-C214 HydrophobicContact CG1-CB 3.49Å; V140-C214 VanDerWaalsContact CG1-CB 3.49Å; V140-C214 VanDerWaalsContact CG1-SG 3.58Å; V140-I222 HydrophobicContact CG1-CD1 4.13Å
141	F	96.8	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.5	177	172.1	-118.9	0	0	0	110.7	E143 V147 I148 V192 V194 L197 D211 I212 C214	F141-E143 HydrophobicContact CD1-CB 4.45Å; F141-E143 HydrophobicContact CE1-CB 3.6Å; F141-E143 HydrophobicContact CE1-CG 4.1Å; F141-E143 VanDerWaalsContact CZ-CA 3.4Å; F141-E143 HydrophobicContact CZ-CB 3.83Å; F141-E143 HydrophobicContact CZ-CG 4.15Å; F141-V147 WeakPolarHBondContact CD2-O 3.47Å; F141-I148 HydrophobicContact CB-CG1 4.4Å; F141-I148 HydrophobicContact CD2-CD1 4.48Å; F141-I148 HydrophobicContact CD2-CG1 3.5Å; F141-I148 HydrophobicContact CE2-CG1 4.16Å; F141-I148 HydrophobicContact CG-CG1 4.29Å; F141-V192 HydrophobicContact CE1-CG1 4.23Å; F141-V192 HydrophobicContact CE2-CB 3.95Å; F141-V192 HydrophobicContact CE2-CG1 3.99Å; F141-V192 HydrophobicContact CZ-CB 3.7Å; F141-V192 HydrophobicContact CZ-CG1 3.71Å; F141-V192 VanDerWaalsContact CZ-O 3.31Å; F141-V192 WeakPolarHBondContact CZ-O 3.29Å; F141-V194 HydrophobicContact CD1-CG2 4.39Å; F141-V194 HydrophobicContact CE1-CG2 4.28Å; F141-L197 HydrophobicContact CB-CD1 3.61Å; F141-L197 HydrophobicContact CD1-CD1 3.41Å; F141-L197 VanDerWaalsContact CD1-CD1 3.41Å; F141-L197 HydrophobicContact CD2-CD1 3.65Å; F141-L197 HydrophobicContact CE1-CD1 3.89Å; F141-L197 HydrophobicContact CE2-CD1 4.12Å; F141-L197 HydrophobicContact CG-CD1 3.25Å; F141-L197 HydrophobicContact CZ-CD1 4.21Å; F141-D211 PolarHBondContact N-O 3.34Å; F141-I212 HydrophobicContact CB-CB 4.41Å; F141-I212 HydrophobicContact CB-CG2 4.48Å; F141-I212 WeakPolarHBondContact CD1-O 3.27Å; F141-I212 CarbonylContact O-C 3.57Å; F141-I212 VanDerWaalsContact O-C 3.29Å; F141-I212 VanDerWaalsContact O-O 3.09Å; F141-C214 WeakPolarHBondContact O-CB 3.07Å; F141-C214 PolarHBondContact O-N 3.24Å
142	C	94	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	101.5	173.3	-176.6	0	0	0	0	108.9	T144 L145 Q146 V147 C214 A219	C142-T144 VanDerWaalsContact C-N 3.32Å; C142-T144 PolarHBondContact O-N 3.27Å; C142-L145 HydrophobicContact CB-CB 4.47Å; C142-L145 PolarHBondContact O-N 2.91Å; C142-Q146 PolarHBondContact O-N 2.91Å; C142-V147 PolarHBondContact N-O 2.84Å; C142-V147 PolarHBondContact O-N 3.26Å; C142-C214 HydrophobicContact CB-CB 4.3Å; C142-C214 PolarHBondContact SG-O 2.86Å; C142-A219 HydrophobicContact CB-CB 3.62Å
143	E	90.6	Very high	94.3	Very high	69 Å²	69	28.4 Å²	28.4	32%	0.322	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-60.9	-39.9	-178	-171.7	172.8	-168.2	0	0	112.3	F141 L145 Q146 T193 V194	F141-E143 HydrophobicContact CD1-CB 4.45Å; F141-E143 HydrophobicContact CE1-CB 3.6Å; F141-E143 HydrophobicContact CE1-CG 4.1Å; F141-E143 VanDerWaalsContact CZ-CA 3.4Å; F141-E143 HydrophobicContact CZ-CB 3.83Å; F141-E143 HydrophobicContact CZ-CG 4.15Å; E143-L145 VanDerWaalsContact C-N 3.28Å; E143-L145 PolarHBondContact O-N 3.48Å; E143-Q146 PolarHBondContact O-N 2.99Å; E143-Q146 PolarHBondContact O-NE2 2.93Å; E143-T193 WeakPolarHBondContact OE1-CA 3.27Å; E143-V194 HydrophobicContact CB-CG2 4.5Å; E143-V194 WeakPolarHBondContact OE2-CG2 3.17Å
144	T	87	Confident	93.9	Very high	118 Å²	118	33.4 Å²	33.4	72%	0.724	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-63	-33.5	-179.1	-49.4	0	0	0	0	113.1	C142	C142-T144 VanDerWaalsContact C-N 3.32Å; C142-T144 PolarHBondContact O-N 3.27Å
145	L	87.5	Confident	93.5	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.089	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-100.2	-4.2	179.2	-60.9	-176.5	0	0	0	112.9	C142 E143 V147 A216 A219 R220 L230	C142-L145 HydrophobicContact CB-CB 4.47Å; C142-L145 PolarHBondContact O-N 2.91Å; E143-L145 VanDerWaalsContact C-N 3.28Å; E143-L145 PolarHBondContact O-N 3.48Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 HydrophobicContact CB-CG2 4.18Å; L145-V147 WeakPolarHBondContact O-CG2 3.29Å; L145-V147 PolarHBondContact O-N 3.28Å; L145-A216 HydrophobicContact CD1-CB 4.11Å; L145-A216 HydrophobicContact CD2-CB 4.32Å; L145-A216 HydrophobicContact CG-CB 4.03Å; L145-A219 HydrophobicContact CD1-CB 3.88Å; L145-R220 HydrophobicContact CD1-CG 4.03Å; L145-L230 HydrophobicContact CB-CD1 4.16Å; L145-L230 HydrophobicContact CD1-CD1 4.33Å
146	Q	92	Very high	93.3	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.023	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	48.6	-175	-70.7	-65.2	-58.6	0	0	112.4	C142 E143 F181 V192	C142-Q146 PolarHBondContact O-N 2.91Å; E143-Q146 PolarHBondContact O-N 2.99Å; E143-Q146 PolarHBondContact O-NE2 2.93Å; Q146-F181 HydrophobicContact CB-CB 4.21Å; Q146-F181 PolarHBondContact O-N 3.22Å; Q146-V192 PolarHBondContact NE2-O 3.14Å
147	V	93.3	Very high	93	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.7	177.9	-174.5	0	0	0	0	111.7	F141 C142 L145 F149 I178 L179 V180 L230	F141-V147 WeakPolarHBondContact CD2-O 3.47Å; C142-V147 PolarHBondContact N-O 2.84Å; C142-V147 PolarHBondContact O-N 3.26Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 HydrophobicContact CB-CG2 4.18Å; L145-V147 WeakPolarHBondContact O-CG2 3.29Å; L145-V147 PolarHBondContact O-N 3.28Å; V147-F149 HydrophobicContact CB-CE2 4Å; V147-F149 HydrophobicContact CB-CZ 4.1Å; V147-F149 HydrophobicContact CG1-CD1 4.3Å; V147-F149 HydrophobicContact CG1-CD2 4.08Å; V147-F149 HydrophobicContact CG1-CE1 3.82Å; V147-F149 HydrophobicContact CG1-CE2 3.58Å; V147-F149 HydrophobicContact CG1-CG 4.41Å; V147-F149 HydrophobicContact CG1-CZ 3.43Å; V147-F149 VanDerWaalsContact CG1-CZ 3.43Å; V147-I178 HydrophobicContact CG1-CG2 3.72Å; V147-L179 WeakPolarHBondContact CA-O 3.4Å; V147-V180 HydrophobicContact CG1-CG2 4.49Å; V147-V180 HydrophobicContact CG2-CG1 4.28Å; V147-V180 HydrophobicContact CG2-CG2 4.24Å; V147-L230 HydrophobicContact CG2-CD1 3.61Å
148	I	96.9	Very high	92.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.6	166.5	-62.7	174.5	0	0	0	108.9	I111 I116 L139 V140 F141 V150 I178 L179 F181 L197	I111-I148 HydrophobicContact CD1-CD1 3.96Å; I116-I148 HydrophobicContact CD1-CD1 4.15Å; I116-I148 HydrophobicContact CD1-CG2 4.09Å; L139-I148 HydrophobicContact CD1-CG2 3.49Å; L139-I148 VanDerWaalsContact CD1-CG2 3.49Å; V140-I148 CarbonylContact O-C 3.54Å; V140-I148 WeakPolarHBondContact O-CA 3.42Å; F141-I148 HydrophobicContact CB-CG1 4.4Å; F141-I148 HydrophobicContact CD2-CD1 4.48Å; F141-I148 HydrophobicContact CD2-CG1 3.5Å; F141-I148 HydrophobicContact CE2-CG1 4.16Å; F141-I148 HydrophobicContact CG-CG1 4.29Å; I148-V150 HydrophobicContact CG2-CG2 3.93Å; I148-I178 WeakPolarHBondContact O-CA 3.29Å; I148-L179 HydrophobicContact CB-CB 4.3Å; I148-L179 PolarHBondContact N-O 2.79Å; I148-L179 PolarHBondContact O-N 2.76Å; I148-F181 HydrophobicContact CB-CE2 4.1Å; I148-F181 HydrophobicContact CD1-CE2 3.48Å; I148-F181 VanDerWaalsContact CD1-CE2 3.48Å; I148-F181 HydrophobicContact CD1-CZ 3.76Å; I148-F181 HydrophobicContact CG1-CD2 4.49Å; I148-F181 HydrophobicContact CG1-CE2 3.68Å; I148-F181 HydrophobicContact CG1-CZ 4.45Å; I148-L197 HydrophobicContact CD1-CD1 3.86Å; I148-L197 HydrophobicContact CD1-CD2 3.83Å; I148-L197 HydrophobicContact CD1-CG 4.41Å; I148-L197 HydrophobicContact CG1-CD1 4.08Å
149	F	97.5	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.3	168.7	-46.8	-99.4	0	0	0	109.1	V140 V147 W176 L177 I178 A219 I222 L223	V140-F149 HydrophobicContact CB-CB 4.16Å; V140-F149 HydrophobicContact CB-CD2 4.18Å; V140-F149 HydrophobicContact CG1-CD2 4.12Å; V140-F149 PolarHBondContact N-O 2.77Å; V140-F149 PolarHBondContact O-N 3.23Å; V147-F149 HydrophobicContact CB-CE2 4Å; V147-F149 HydrophobicContact CB-CZ 4.1Å; V147-F149 HydrophobicContact CG1-CD1 4.3Å; V147-F149 HydrophobicContact CG1-CD2 4.08Å; V147-F149 HydrophobicContact CG1-CE1 3.82Å; V147-F149 HydrophobicContact CG1-CE2 3.58Å; V147-F149 HydrophobicContact CG1-CG 4.41Å; V147-F149 HydrophobicContact CG1-CZ 3.43Å; V147-F149 VanDerWaalsContact CG1-CZ 3.43Å; F149-W176 HydrophobicContact CB-CD2 3.97Å; F149-W176 HydrophobicContact CB-CE3 3.34Å; F149-W176 HydrophobicContact CB-CZ3 3.66Å; F149-W176 HydrophobicContact CG-CE3 4.48Å; F149-L177 CarbonylContact C-O 3.58Å; F149-L177 VanDerWaalsContact CA-O 3.3Å; F149-L177 WeakPolarHBondContact CA-O 3.4Å; F149-I178 HydrophobicContact CD1-CB 4.47Å; F149-I178 HydrophobicContact CD1-CD1 4.31Å; F149-I178 HydrophobicContact CD1-CG1 3.91Å; F149-I178 HydrophobicContact CD1-CG2 4.08Å; F149-I178 HydrophobicContact CE1-CD1 4.42Å; F149-I178 HydrophobicContact CE1-CG1 4.37Å; F149-I178 HydrophobicContact CE1-CG2 3.97Å; F149-A219 HydrophobicContact CE2-CB 3.94Å; F149-A219 HydrophobicContact CZ-CB 4.14Å; F149-I222 HydrophobicContact CD1-CB 4.31Å; F149-I222 HydrophobicContact CD1-CG2 3.4Å; F149-I222 HydrophobicContact CD2-CD1 4.46Å; F149-I222 HydrophobicContact CE1-CB 4.05Å; F149-I222 HydrophobicContact CE1-CG2 3.53Å; F149-I222 HydrophobicContact CG-CG2 4.04Å; F149-I222 HydrophobicContact CZ-CB 4.32Å; F149-I222 HydrophobicContact CZ-CG2 4.25Å; F149-L223 HydrophobicContact CE1-CD2 3.73Å; F149-L223 HydrophobicContact CE1-CG 3.74Å; F149-L223 HydrophobicContact CZ-CD1 4.33Å; F149-L223 HydrophobicContact CZ-CD2 4.15Å; F149-L223 HydrophobicContact CZ-CG 3.8Å
150	V	97.4	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.8	174.8	-178.4	0	0	0	0	108.6	I116 I131 M136 M138 L139 I148 P152 W176 L177 L179	I116-V150 HydrophobicContact CD1-CG2 4.32Å; I131-V150 HydrophobicContact CG2-CG1 4.23Å; M136-V150 HydrophobicContact CB-CG1 3.88Å; M136-V150 HydrophobicContact CG-CG1 3.61Å; M136-V150 HydrophobicContact SD-CG1 4.18Å; M136-V150 HydrophobicContact SD-CG2 4.45Å; M138-V150 CarbonylContact O-C 3.43Å; M138-V150 WeakPolarHBondContact O-CA 3.39Å; L139-V150 HydrophobicContact CD1-CG2 3.84Å; I148-V150 HydrophobicContact CG2-CG2 3.93Å; V150-P152 VanDerWaalsContact O-CD 3.29Å; V150-P152 WeakPolarHBondContact O-CD 3.3Å; V150-W176 CarbonylContact O-C 3.45Å; V150-W176 WeakPolarHBondContact O-CA 3.32Å; V150-L177 HydrophobicContact CB-CB 4.24Å; V150-L177 HydrophobicContact CB-CD1 4.49Å; V150-L177 PolarHBondContact N-O 2.92Å; V150-L177 PolarHBondContact O-N 3.38Å; V150-L179 HydrophobicContact CG2-CD1 4.45Å
151	K	95.4	Very high	90.7	Very high	81 Å²	81	36.3 Å²	36.3	35%	0.352	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.5	166.2	-172.2	179	-175.6	-129.3	0	107.8	E137 M138 K175 W176	E137-K151 HydrophobicContact CB-CB 4.39Å; E137-K151 HydrophobicContact CB-CD 4.3Å; E137-K151 HydrophobicContact CB-CG 4.28Å; E137-K151 PolarHBondContact N-O 2.77Å; E137-K151 WeakPolarHBondContact OE2-CE 3.45Å; E137-K151 IonicContact OE2-NZ 3.3Å; E137-K151 PolarHBondContact OE2-NZ 3.34Å; M138-K151 HydrophobicContact CB-CB 3.69Å; M138-K151 HydrophobicContact CB-CD 4.37Å; M138-K151 PolarHBondContact O-N 2.69Å; K151-K175 WeakPolarHBondContact CG-O 3.48Å; K151-W176 HydrophobicContact CB-CE3 4.14Å; K151-W176 HydrophobicContact CB-CZ3 4.06Å
152	P	94.3	Very high	90.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	147.9	-175.3	31.6	-33.5	0	0	0	111.3	N135 V150 F156 K157 L160 L177	N135-P152 CarbonylContact O-C 3.21Å; N135-P152 WeakPolarHBondContact O-CA 3.46Å; V150-P152 VanDerWaalsContact O-CD 3.29Å; V150-P152 WeakPolarHBondContact O-CD 3.3Å; P152-F156 HydrophobicContact CB-CD1 3.88Å; P152-K157 HydrophobicContact CB-CG 4.2Å; P152-K157 HydrophobicContact CG-CD 4.41Å; P152-K157 HydrophobicContact CG-CG 3.77Å; P152-L160 HydrophobicContact CB-CD1 4.38Å; P152-L177 HydrophobicContact CB-CD1 4.05Å; P152-L177 HydrophobicContact CB-CG 4.22Å; P152-L177 HydrophobicContact CG-CD1 4.43Å; P152-L177 HydrophobicContact CG-CD2 4.15Å; P152-L177 HydrophobicContact CG-CG 4.06Å
153	S	91.5	Very high	89.7	Confident	14 Å²	14	47 Å²	47	10%	0.098	25%	0.251	C	S	.	.			trans	-61.9	152.8	170.1	73.9	0	0	0	0	111.4	N135 E137 S155 F156 K157	N135-S153 PolarHBondContact O-N 3.19Å; E137-S153 WeakPolarHBondContact OE1-CA 2.96Å; S153-S155 PolarHBondContact O-N 2.85Å; S153-S155 PolarHBondContact OG-OG 3.27Å; S153-F156 PolarHBondContact O-N 3.17Å; S153-F156 WeakPolarHBondContact OG-CB 3.44Å; S153-F156 PolarHBondContact OG-N 3.05Å; S153-K157 PolarHBondContact O-N 3.03Å
154	I	86.8	Confident	89.4	Confident	133 Å²	133	43.9 Å²	43.9	68%	0.682	24%	0.237	S	C	*	.	H	α-helix	trans	-54.7	-42.4	177.3	-62.5	167.9	0	0	0	111.5	F156 K157	I154-F156 VanDerWaalsContact C-N 3.35Å; I154-F156 PolarHBondContact O-N 3.43Å; I154-K157 WeakPolarHBondContact O-CB 3.18Å; I154-K157 PolarHBondContact O-N 3.34Å
155	S	86.7	Confident	88.9	Confident	79 Å²	79	44.7 Å²	44.7	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-63.3	-38.5	177.5	53.5	0	0	0	0	113	S153	S153-S155 PolarHBondContact O-N 2.85Å; S153-S155 PolarHBondContact OG-OG 3.27Å
156	F	91	Very high	88.1	Confident	7 Å²	7	44.7 Å²	44.7	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-74	-31.2	-180	-171.1	-118.8	0	0	0	112.2	I131 N135 P152 S153 I154 S158 Q159 L160 L177	I131-F156 HydrophobicContact CB-CE1 4.29Å; I131-F156 HydrophobicContact CB-CZ 4.31Å; I131-F156 HydrophobicContact CG1-CE1 3.9Å; I131-F156 HydrophobicContact CG1-CZ 3.96Å; I131-F156 HydrophobicContact CG2-CD1 4.45Å; I131-F156 HydrophobicContact CG2-CE1 3.88Å; I131-F156 HydrophobicContact CG2-CZ 4.29Å; N135-F156 HydrophobicContact CB-CB 3.75Å; N135-F156 HydrophobicContact CB-CD1 4.08Å; N135-F156 HydrophobicContact CB-CD2 3.93Å; N135-F156 HydrophobicContact CB-CG 3.65Å; P152-F156 HydrophobicContact CB-CD1 3.88Å; S153-F156 PolarHBondContact O-N 3.17Å; S153-F156 WeakPolarHBondContact OG-CB 3.44Å; S153-F156 PolarHBondContact OG-N 3.05Å; I154-F156 VanDerWaalsContact C-N 3.35Å; I154-F156 PolarHBondContact O-N 3.43Å; F156-S158 VanDerWaalsContact C-N 3.3Å; F156-S158 PolarHBondContact O-N 3.36Å; F156-Q159 HydrophobicContact CD2-CB 4.39Å; F156-Q159 WeakPolarHBondContact O-CB 3.43Å; F156-Q159 PolarHBondContact O-N 3.06Å; F156-Q159 VanDerWaalsContact O-N 3.13Å; F156-L160 HydrophobicContact CD1-CD1 3.7Å; F156-L160 HydrophobicContact CD1-CG 3.98Å; F156-L160 HydrophobicContact CE1-CD1 3.67Å; F156-L160 HydrophobicContact CE1-CD2 3.8Å; F156-L160 HydrophobicContact CE1-CG 3.73Å; F156-L160 HydrophobicContact CZ-CD2 3.92Å; F156-L160 HydrophobicContact CZ-CG 4.09Å; F156-L160 WeakPolarHBondContact O-CG 3.45Å; F156-L160 PolarHBondContact O-N 3.11Å; F156-L177 HydrophobicContact CD1-CD1 4.39Å; F156-L177 HydrophobicContact CE1-CD1 3.91Å
157	K	87.6	Confident	87.1	Confident	35 Å²	35	50.7 Å²	50.7	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-45.4	173.3	-73.3	-179.8	173.3	-164.7	0	111.8	P152 S153 I154 Q159 L160 S161 L171 P172 V174	P152-K157 HydrophobicContact CB-CG 4.2Å; P152-K157 HydrophobicContact CG-CD 4.41Å; P152-K157 HydrophobicContact CG-CG 3.77Å; S153-K157 PolarHBondContact O-N 3.03Å; I154-K157 WeakPolarHBondContact O-CB 3.18Å; I154-K157 PolarHBondContact O-N 3.34Å; K157-Q159 VanDerWaalsContact C-N 3.34Å; K157-Q159 PolarHBondContact O-N 3.21Å; K157-L160 WeakPolarHBondContact O-CB 3.34Å; K157-L160 PolarHBondContact O-N 3.13Å; K157-S161 PolarHBondContact O-N 3Å; K157-L171 WeakPolarHBondContact O-CD1 3.42Å; K157-P172 PolarHBondContact NZ-O 2.79Å; K157-V174 WeakPolarHBondContact CE-O 3.48Å; K157-V174 PolarHBondContact NZ-O 2.93Å
158	S	82.9	Confident	85.8	Confident	78 Å²	78	57.7 Å²	57.7	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-42	177.2	-62.8	0	0	0	0	112.3	F156 L160 S161	F156-S158 VanDerWaalsContact C-N 3.3Å; F156-S158 PolarHBondContact O-N 3.36Å; S158-L160 VanDerWaalsContact C-N 3.32Å; S158-L160 PolarHBondContact O-N 3.14Å; S158-S161 VanDerWaalsContact O-CB 3.27Å; S158-S161 WeakPolarHBondContact O-CB 3.34Å; S158-S161 PolarHBondContact O-N 3.28Å; S158-S161 VanDerWaalsContact O-N 3.15Å
159	Q	87.7	Confident	84.4	Confident	114 Å²	114	64.9 Å²	64.9	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-37.3	175.6	-65.6	-179.2	-23.5	0	0	112.2	F156 K157 S161 E162 L163	F156-Q159 HydrophobicContact CD2-CB 4.39Å; F156-Q159 WeakPolarHBondContact O-CB 3.43Å; F156-Q159 PolarHBondContact O-N 3.06Å; F156-Q159 VanDerWaalsContact O-N 3.13Å; K157-Q159 VanDerWaalsContact C-N 3.34Å; K157-Q159 PolarHBondContact O-N 3.21Å; Q159-S161 PolarHBondContact O-N 3.35Å; Q159-E162 PolarHBondContact O-N 3.16Å; Q159-L163 WeakPolarHBondContact O-CB 3.27Å; Q159-L163 PolarHBondContact O-N 2.66Å
160	L	86.5	Confident	82.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-28.6	175.3	-73	168.2	0	0	0	112.8	V129 P152 F156 K157 S158 E162 L164 L171 L177	V129-L160 HydrophobicContact CG1-CD2 4.37Å; P152-L160 HydrophobicContact CB-CD1 4.38Å; F156-L160 HydrophobicContact CD1-CD1 3.7Å; F156-L160 HydrophobicContact CD1-CG 3.98Å; F156-L160 HydrophobicContact CE1-CD1 3.67Å; F156-L160 HydrophobicContact CE1-CD2 3.8Å; F156-L160 HydrophobicContact CE1-CG 3.73Å; F156-L160 HydrophobicContact CZ-CD2 3.92Å; F156-L160 HydrophobicContact CZ-CG 4.09Å; F156-L160 WeakPolarHBondContact O-CG 3.45Å; F156-L160 PolarHBondContact O-N 3.11Å; K157-L160 WeakPolarHBondContact O-CB 3.34Å; K157-L160 PolarHBondContact O-N 3.13Å; S158-L160 VanDerWaalsContact C-N 3.32Å; S158-L160 PolarHBondContact O-N 3.14Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 2.83Å; L160-L164 HydrophobicContact CB-CD1 4.47Å; L160-L164 HydrophobicContact CD2-CD1 3.97Å; L160-L164 HydrophobicContact CD2-CG 4.38Å; L160-L164 WeakPolarHBondContact O-CB 3.44Å; L160-L164 PolarHBondContact O-N 3.29Å; L160-L171 HydrophobicContact CB-CD2 4.29Å; L160-L177 HydrophobicContact CD1-CD1 3.94Å; L160-L177 HydrophobicContact CD1-CD2 3.58Å; L160-L177 HydrophobicContact CD1-CG 4.37Å
161	S	81.6	Confident	81.3	Confident	12 Å²	12	66.9 Å²	66.9	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-58.3	-49.3	176.8	-143.8	0	0	0	0	110.9	K157 S158 Q159 R165 I166 E168 L171	K157-S161 PolarHBondContact O-N 3Å; S158-S161 VanDerWaalsContact O-CB 3.27Å; S158-S161 WeakPolarHBondContact O-CB 3.34Å; S158-S161 PolarHBondContact O-N 3.28Å; S158-S161 VanDerWaalsContact O-N 3.15Å; Q159-S161 PolarHBondContact O-N 3.35Å; S161-R165 CarbonylContact O-C 3.6Å; S161-R165 VanDerWaalsContact O-CA 3.23Å; S161-R165 WeakPolarHBondContact O-CA 2.97Å; S161-R165 PolarHBondContact O-N 2.82Å; S161-I166 PolarHBondContact O-N 2.93Å; S161-I166 PolarHBondContact OG-O 3.22Å; S161-E168 WeakPolarHBondContact OG-CA 3.27Å; S161-E168 VanDerWaalsContact OG-CG 3.28Å; S161-E168 WeakPolarHBondContact OG-CG 3.48Å; S161-L171 WeakPolarHBondContact OG-CD1 3.34Å
162	E	83.4	Confident	80	Confident	168 Å²	168	67.6 Å²	67.6	79%	0.785	34%	0.34	S	S	*	.	H	α-helix	trans	-71.6	-46.1	-177.3	-175.4	173.4	-166.2	0	0	110.1	Q159 L160 L164 R165	Q159-E162 PolarHBondContact O-N 3.16Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 2.83Å; E162-L164 PolarHBondContact O-N 3.09Å; E162-R165 PolarHBondContact O-N 3.19Å
163	L	86.8	Confident	79	Confident	56 Å²	56	72.1 Å²	72.1	29%	0.293	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-44.2	-176.6	-168.7	68.4	0	0	0	112.7	T127 V129 Q159	T127-L163 HydrophobicContact CG2-CD1 3.48Å; T127-L163 VanDerWaalsContact CG2-CD1 3.48Å; T127-L163 HydrophobicContact CG2-CG 3.78Å; V129-L163 HydrophobicContact CB-CD2 4.12Å; V129-L163 HydrophobicContact CG1-CD2 4.05Å; V129-L163 HydrophobicContact CG2-CD2 3.75Å; V129-L163 HydrophobicContact CG2-CG 4.41Å; Q159-L163 WeakPolarHBondContact O-CB 3.27Å; Q159-L163 PolarHBondContact O-N 2.66Å
164	L	83.6	Confident	78.2	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.021	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.5	-177.3	-57.8	176.8	0	0	0	112.8	F94 I96 F102 V120 V122 V129 L160 E162 I166	F94-L164 HydrophobicContact CE1-CD1 3.84Å; F94-L164 HydrophobicContact CE1-CD2 4.48Å; I96-L164 HydrophobicContact CG2-CD1 3.92Å; F102-L164 HydrophobicContact CE2-CD1 4.02Å; F102-L164 HydrophobicContact CE2-CD2 4.41Å; F102-L164 HydrophobicContact CZ-CB 3.99Å; F102-L164 HydrophobicContact CZ-CD1 4.32Å; F102-L164 HydrophobicContact CZ-CD2 4.39Å; F102-L164 HydrophobicContact CZ-CG 4.48Å; V120-L164 HydrophobicContact CG2-CD2 3.79Å; V122-L164 WeakPolarHBondContact CG1-O 3.49Å; V122-L164 HydrophobicContact CG2-CD2 3.81Å; V129-L164 HydrophobicContact CG2-CD2 3.93Å; L160-L164 HydrophobicContact CB-CD1 4.47Å; L160-L164 HydrophobicContact CD2-CD1 3.97Å; L160-L164 HydrophobicContact CD2-CG 4.38Å; L160-L164 WeakPolarHBondContact O-CB 3.44Å; L160-L164 PolarHBondContact O-N 3.29Å; E162-L164 PolarHBondContact O-N 3.09Å; L164-I166 HydrophobicContact CB-CD1 3.54Å; L164-I166 HydrophobicContact CB-CG1 3.59Å; L164-I166 HydrophobicContact CD1-CD1 3.82Å; L164-I166 HydrophobicContact CG-CD1 4.35Å; L164-I166 WeakPolarHBondContact O-CG1 3.08Å; L164-I166 PolarHBondContact O-N 3.05Å
165	R	76.3	Confident	78.1	Confident	134 Å²	134	71.8 Å²	71.8	51%	0.506	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.4	-175.9	-59.3	-177.1	179.7	161.1	4.2	113.6	V122 E123 S161 E162	V122-R165 HydrophobicContact CG1-CB 4.17Å; V122-R165 HydrophobicContact CG1-CG 4.16Å; E123-R165 WeakPolarHBondContact OE2-CD 3.38Å; E123-R165 IonicContact OE2-CZ 3.98Å; E123-R165 IonicContact OE2-NE 3.45Å; E123-R165 IonicContact OE2-NH1 2.73Å; E123-R165 PolarHBondContact OE2-NH1 3.45Å; S161-R165 CarbonylContact O-C 3.6Å; S161-R165 VanDerWaalsContact O-CA 3.23Å; S161-R165 WeakPolarHBondContact O-CA 2.97Å; S161-R165 PolarHBondContact O-N 2.82Å; E162-R165 PolarHBondContact O-N 3.19Å
166	I	70.9	Confident	78.4	Confident	18 Å²	18	69.5 Å²	69.5	9%	0.092	34%	0.343	C	S	.	.			trans	-90.7	143	-178.9	-53.6	177.6	0	0	0	108.3	I96 F102 S161 L164 E168 I170	I96-I166 HydrophobicContact CD1-CD1 3.25Å; I96-I166 HydrophobicContact CD1-CG2 4.27Å; I96-I166 HydrophobicContact CG1-CD1 3.82Å; F102-I166 HydrophobicContact CE2-CD1 4.01Å; F102-I166 HydrophobicContact CZ-CD1 3.67Å; F102-I166 HydrophobicContact CZ-CG1 4.14Å; S161-I166 PolarHBondContact O-N 2.93Å; S161-I166 PolarHBondContact OG-O 3.22Å; L164-I166 HydrophobicContact CB-CD1 3.54Å; L164-I166 HydrophobicContact CB-CG1 3.59Å; L164-I166 HydrophobicContact CD1-CD1 3.82Å; L164-I166 HydrophobicContact CG-CD1 4.35Å; L164-I166 WeakPolarHBondContact O-CG1 3.08Å; L164-I166 PolarHBondContact O-N 3.05Å; I166-E168 PolarHBondContact O-N 3.26Å; I166-I170 HydrophobicContact CG2-CB 3.95Å; I166-I170 HydrophobicContact CG2-CD1 3.86Å; I166-I170 HydrophobicContact CG2-CG1 4.44Å; I166-I170 HydrophobicContact CG2-CG2 4.07Å
167	K	70.4	Confident	78.6	Confident	130 Å²	130	69.1 Å²	69.1	57%	0.565	34%	0.342	S	S	*	.			trans	-62.5	132.6	176.6	-61.5	-170.8	-177.5	178	0	110.7	F169 I170	K167-F169 HydrophobicContact CB-CD1 3.79Å; K167-F169 HydrophobicContact CB-CE1 3.64Å; K167-F169 HydrophobicContact CB-CZ 4.42Å; K167-F169 HydrophobicContact CD-CD1 4.32Å; K167-F169 HydrophobicContact CD-CE1 3.45Å; K167-F169 VanDerWaalsContact CD-CE1 3.45Å; K167-F169 HydrophobicContact CD-CZ 4.13Å; K167-F169 HydrophobicContact CG-CE1 4.2Å; K167-F169 PolarHBondContact O-N 2.96Å; K167-F169 VanDerWaalsContact O-N 3.1Å; K167-I170 HydrophobicContact CB-CD1 4.17Å; K167-I170 HydrophobicContact CB-CG1 4.4Å; K167-I170 WeakPolarHBondContact O-CB 2.93Å; K167-I170 PolarHBondContact O-N 3Å
168	E	67.3	Low	78.9	Confident	147 Å²	147	67.5 Å²	67.5	69%	0.687	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-53.6	-37.4	-174.9	-77.8	-175.8	166.7	0	0	113.6	S161 I166 I170 L171 P172	S161-E168 WeakPolarHBondContact OG-CA 3.27Å; S161-E168 VanDerWaalsContact OG-CG 3.28Å; S161-E168 WeakPolarHBondContact OG-CG 3.48Å; I166-E168 PolarHBondContact O-N 3.26Å; E168-I170 PolarHBondContact O-N 3.1Å; E168-I170 VanDerWaalsContact O-N 3.09Å; E168-L171 WeakPolarHBondContact O-CB 2.97Å; E168-L171 PolarHBondContact O-N 3.12Å; E168-L171 VanDerWaalsContact O-N 3.08Å; E168-P172 WeakPolarHBondContact O-CD 3.36Å
169	F	67.7	Low	79.5	Confident	151 Å²	151	63.8 Å²	63.8	66%	0.662	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.6	-178.6	76.1	-99	0	0	0	114.1	K167	K167-F169 HydrophobicContact CB-CD1 3.79Å; K167-F169 HydrophobicContact CB-CE1 3.64Å; K167-F169 HydrophobicContact CB-CZ 4.42Å; K167-F169 HydrophobicContact CD-CD1 4.32Å; K167-F169 HydrophobicContact CD-CE1 3.45Å; K167-F169 VanDerWaalsContact CD-CE1 3.45Å; K167-F169 HydrophobicContact CD-CZ 4.13Å; K167-F169 HydrophobicContact CG-CE1 4.2Å; K167-F169 PolarHBondContact O-N 2.96Å; K167-F169 VanDerWaalsContact O-N 3.1Å
170	I	60.4	Low	79.7	Confident	36 Å²	36	58.5 Å²	58.5	19%	0.185	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-78.5	-33.6	176.8	-61.2	174.1	0	0	0	110.5	I96 S99 I166 K167 E168 S173 V174	I96-I170 HydrophobicContact CD1-CG2 4.42Å; S99-I170 VanDerWaalsContact CB-CG2 3.46Å; I166-I170 HydrophobicContact CG2-CB 3.95Å; I166-I170 HydrophobicContact CG2-CD1 3.86Å; I166-I170 HydrophobicContact CG2-CG1 4.44Å; I166-I170 HydrophobicContact CG2-CG2 4.07Å; K167-I170 HydrophobicContact CB-CD1 4.17Å; K167-I170 HydrophobicContact CB-CG1 4.4Å; K167-I170 WeakPolarHBondContact O-CB 2.93Å; K167-I170 PolarHBondContact O-N 3Å; E168-I170 PolarHBondContact O-N 3.1Å; E168-I170 VanDerWaalsContact O-N 3.09Å; I170-S173 WeakPolarHBondContact O-CB 3.38Å; I170-S173 PolarHBondContact O-N 3.4Å; I170-S173 VanDerWaalsContact O-N 3.17Å; I170-V174 PolarHBondContact O-N 3.24Å
171	L	69.2	Low	79.9	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.037	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.7	-37.5	-170.8	-69.4	171.1	0	0	0	115.7	K157 L160 S161 E168 S173 V174	K157-L171 WeakPolarHBondContact O-CD1 3.42Å; L160-L171 HydrophobicContact CB-CD2 4.29Å; S161-L171 WeakPolarHBondContact OG-CD1 3.34Å; E168-L171 WeakPolarHBondContact O-CB 2.97Å; E168-L171 PolarHBondContact O-N 3.12Å; E168-L171 VanDerWaalsContact O-N 3.08Å; L171-S173 PolarHBondContact O-N 2.96Å; L171-V174 HydrophobicContact CD2-CG2 4.37Å; L171-V174 WeakPolarHBondContact O-CB 3.49Å; L171-V174 PolarHBondContact O-N 2.61Å
172	P	68.8	Low	79.9	Confident	95 Å²	95	63.5 Å²	63.5	62%	0.617	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-52.9	-38.8	172.9	-29.3	35	0	0	0	112	K157 E168 V174	K157-P172 PolarHBondContact NZ-O 2.79Å; E168-P172 WeakPolarHBondContact O-CD 3.36Å; P172-V174 VanDerWaalsContact C-N 3.32Å; P172-V174 PolarHBondContact O-N 3.05Å
173	S	71.3	Confident	79.3	Confident	95 Å²	95	61.4 Å²	61.4	66%	0.664	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-75.8	-15.4	-179.8	-54.8	0	0	0	0	114	I170 L171 K175	I170-S173 WeakPolarHBondContact O-CB 3.38Å; I170-S173 PolarHBondContact O-N 3.4Å; I170-S173 VanDerWaalsContact O-N 3.17Å; L171-S173 PolarHBondContact O-N 2.96Å; S173-K175 PolarHBondContact O-N 2.95Å
174	V	75.3	Confident	78.1	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.042	30%	0.3	C	S	.	.			trans	-69.4	107.1	177.9	178	0	0	0	0	109.2	I96 K157 I170 L171 P172 L177	I96-V174 HydrophobicContact CB-CG1 3.9Å; I96-V174 HydrophobicContact CB-CG2 4.16Å; I96-V174 HydrophobicContact CD1-CG2 3.62Å; I96-V174 HydrophobicContact CG1-CG2 4.46Å; K157-V174 WeakPolarHBondContact CE-O 3.48Å; K157-V174 PolarHBondContact NZ-O 2.93Å; I170-V174 PolarHBondContact O-N 3.24Å; L171-V174 HydrophobicContact CD2-CG2 4.37Å; L171-V174 WeakPolarHBondContact O-CB 3.49Å; L171-V174 PolarHBondContact O-N 2.61Å; P172-V174 VanDerWaalsContact C-N 3.32Å; P172-V174 PolarHBondContact O-N 3.05Å; V174-L177 HydrophobicContact CG1-CD2 4.21Å
175	K	85.5	Confident	76.9	Confident	134 Å²	134	65 Å²	65	58%	0.583	32%	0.32	S	S	*	.			trans	-84.6	-35.2	175.6	-67.8	-177.8	-179.4	177.6	0	112.1	K151 S173	K151-K175 WeakPolarHBondContact CG-O 3.48Å; S173-K175 PolarHBondContact O-N 2.95Å
176	W	93.1	Very high	75.9	Confident	30 Å²	30	64.1 Å²	64.1	11%	0.114	34%	0.341	C	S	.	.			trans	-138.9	136	-171.6	-63.3	101.3	0	0	0	110.9	M138 V140 F149 V150 K151 I178 I222	M138-W176 HydrophobicContact CB-CH2 4.47Å; M138-W176 HydrophobicContact CB-CZ3 4.43Å; M138-W176 HydrophobicContact CG-CH2 4.09Å; M138-W176 HydrophobicContact CG-CZ3 4.36Å; M138-W176 HydrophobicContact SD-CH2 3.53Å; M138-W176 VanDerWaalsContact SD-CH2 3.53Å; M138-W176 HydrophobicContact SD-CZ2 4.29Å; M138-W176 HydrophobicContact SD-CZ3 4.35Å; V140-W176 HydrophobicContact CB-CH2 4.39Å; V140-W176 HydrophobicContact CB-CZ3 4.35Å; V140-W176 HydrophobicContact CG2-CH2 3.52Å; V140-W176 HydrophobicContact CG2-CZ3 3.81Å; F149-W176 HydrophobicContact CB-CD2 3.97Å; F149-W176 HydrophobicContact CB-CE3 3.34Å; F149-W176 HydrophobicContact CB-CZ3 3.66Å; F149-W176 HydrophobicContact CG-CE3 4.48Å; V150-W176 CarbonylContact O-C 3.45Å; V150-W176 WeakPolarHBondContact O-CA 3.32Å; K151-W176 HydrophobicContact CB-CE3 4.14Å; K151-W176 HydrophobicContact CB-CZ3 4.06Å; W176-I178 HydrophobicContact CB-CD1 4.19Å; W176-I178 HydrophobicContact CB-CG1 3.84Å; W176-I222 HydrophobicContact CD2-CG2 4.09Å; W176-I222 HydrophobicContact CG-CG2 3.99Å; W176-I222 HydrophobicContact CZ2-CD1 4.28Å; W176-I222 HydrophobicContact CZ2-CG2 4.39Å
177	L	94.5	Very high	75	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.3	153	-43.1	177.4	0	0	0	106.8	F94 S95 I96 I131 F149 V150 P152 F156 L160 V174	F94-L177 HydrophobicContact CE2-CB 4.41Å; F94-L177 HydrophobicContact CZ-CB 4.19Å; F94-L177 HydrophobicContact CZ-CD1 4.36Å; F94-L177 HydrophobicContact CZ-CD2 4.34Å; S95-L177 CarbonylContact O-C 3.29Å; S95-L177 WeakPolarHBondContact O-CA 3.46Å; I96-L177 HydrophobicContact CB-CD2 4.45Å; I96-L177 HydrophobicContact CG2-CD2 3.6Å; I131-L177 HydrophobicContact CD1-CD1 3.62Å; I131-L177 HydrophobicContact CG1-CD1 4.24Å; F149-L177 CarbonylContact C-O 3.58Å; F149-L177 VanDerWaalsContact CA-O 3.3Å; F149-L177 WeakPolarHBondContact CA-O 3.4Å; V150-L177 HydrophobicContact CB-CB 4.24Å; V150-L177 HydrophobicContact CB-CD1 4.49Å; V150-L177 PolarHBondContact N-O 2.92Å; V150-L177 PolarHBondContact O-N 3.38Å; P152-L177 HydrophobicContact CB-CD1 4.05Å; P152-L177 HydrophobicContact CB-CG 4.22Å; P152-L177 HydrophobicContact CG-CD1 4.43Å; P152-L177 HydrophobicContact CG-CD2 4.15Å; P152-L177 HydrophobicContact CG-CG 4.06Å; F156-L177 HydrophobicContact CD1-CD1 4.39Å; F156-L177 HydrophobicContact CE1-CD1 3.91Å; L160-L177 HydrophobicContact CD1-CD1 3.94Å; L160-L177 HydrophobicContact CD1-CD2 3.58Å; L160-L177 HydrophobicContact CD1-CG 4.37Å; V174-L177 HydrophobicContact CG1-CD2 4.21Å
178	I	94	Very high	74.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	115	-166.7	-52.9	177	0	0	0	106.9	F94 S95 V147 I148 F149 W176 V180 L223 C226 L228	F94-I178 CarbonylContact C-O 3.46Å; F94-I178 WeakPolarHBondContact CA-O 3.42Å; S95-I178 PolarHBondContact N-O 3.49Å; S95-I178 PolarHBondContact O-N 3.11Å; V147-I178 HydrophobicContact CG1-CG2 3.72Å; I148-I178 WeakPolarHBondContact O-CA 3.29Å; F149-I178 HydrophobicContact CD1-CB 4.47Å; F149-I178 HydrophobicContact CD1-CD1 4.31Å; F149-I178 HydrophobicContact CD1-CG1 3.91Å; F149-I178 HydrophobicContact CD1-CG2 4.08Å; F149-I178 HydrophobicContact CE1-CD1 4.42Å; F149-I178 HydrophobicContact CE1-CG1 4.37Å; F149-I178 HydrophobicContact CE1-CG2 3.97Å; W176-I178 HydrophobicContact CB-CD1 4.19Å; W176-I178 HydrophobicContact CB-CG1 3.84Å; I178-V180 HydrophobicContact CG2-CG2 4.2Å; I178-L223 HydrophobicContact CD1-CD2 4.35Å; I178-L223 HydrophobicContact CG2-CD2 3.94Å; I178-C226 HydrophobicContact CD1-CB 3.85Å; I178-L228 HydrophobicContact CD1-CD1 3.53Å
179	L	95.2	Very high	73.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.4	178.1	-66	90	0	0	0	108.1	L91 I93 F94 I116 I131 V147 I148 V150 F181	L91-L179 HydrophobicContact CD1-CB 3.79Å; L91-L179 HydrophobicContact CD1-CD2 4.24Å; L91-L179 HydrophobicContact CD1-CG 4.37Å; L91-L179 HydrophobicContact CD2-CD2 4.44Å; I93-L179 WeakPolarHBondContact O-CA 3.46Å; F94-L179 HydrophobicContact CD2-CD1 4.35Å; F94-L179 HydrophobicContact CD2-CD2 4.31Å; F94-L179 HydrophobicContact CD2-CG 3.93Å; F94-L179 HydrophobicContact CE2-CD1 4.29Å; F94-L179 HydrophobicContact CE2-CG 4.36Å; I116-L179 HydrophobicContact CG2-CD2 3.6Å; I131-L179 HydrophobicContact CD1-CD1 4.47Å; V147-L179 WeakPolarHBondContact CA-O 3.4Å; I148-L179 HydrophobicContact CB-CB 4.3Å; I148-L179 PolarHBondContact N-O 2.79Å; I148-L179 PolarHBondContact O-N 2.76Å; V150-L179 HydrophobicContact CG2-CD1 4.45Å; L179-F181 HydrophobicContact CB-CD2 4.47Å; L179-F181 HydrophobicContact CB-CE2 3.68Å; L179-F181 HydrophobicContact CB-CZ 4.01Å; L179-F181 HydrophobicContact CD2-CZ 4.18Å
180	V	91.6	Very high	73.9	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.6	177.3	-173.7	0	0	0	0	107.8	L91 N92 I93 V147 I178 L230 L283 I287	L91-V180 WeakPolarHBondContact CD1-O 3.23Å; N92-V180 WeakPolarHBondContact CA-O 2.96Å; N92-V180 WeakPolarHBondContact CB-O 3.48Å; N92-V180 PolarHBondContact N-O 3.45Å; I93-V180 HydrophobicContact CB-CB 4.12Å; I93-V180 HydrophobicContact CB-CG2 4.33Å; I93-V180 PolarHBondContact N-O 2.7Å; I93-V180 VanDerWaalsContact N-O 3.13Å; I93-V180 PolarHBondContact O-N 2.87Å; V147-V180 HydrophobicContact CG1-CG2 4.49Å; V147-V180 HydrophobicContact CG2-CG1 4.28Å; V147-V180 HydrophobicContact CG2-CG2 4.24Å; I178-V180 HydrophobicContact CG2-CG2 4.2Å; V180-L230 HydrophobicContact CG1-CD2 3.92Å; V180-L283 HydrophobicContact CG2-CD1 3.98Å; V180-I287 HydrophobicContact CG1-CD1 4.08Å
181	F	90.3	Very high	74.8	Confident	3 Å²	3	62.5 Å²	62.5	1%	0.013	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	166.3	179.3	-63.6	-92.1	0	0	0	110.8	V89 P90 L91 C109 I111 Q146 I148 L179 V192	V89-F181 HydrophobicContact CB-CD1 3.97Å; V89-F181 HydrophobicContact CB-CE1 4.16Å; V89-F181 HydrophobicContact CG1-CB 4.5Å; V89-F181 HydrophobicContact CG1-CD1 3.74Å; V89-F181 HydrophobicContact CG1-CE1 4.4Å; V89-F181 HydrophobicContact CG1-CG 4.39Å; P90-F181 WeakPolarHBondContact O-CA 3.47Å; L91-F181 HydrophobicContact CB-CD1 4.48Å; L91-F181 HydrophobicContact CD1-CD1 4.13Å; L91-F181 HydrophobicContact CD1-CE1 4.08Å; L91-F181 HydrophobicContact CD1-CE2 4.48Å; L91-F181 HydrophobicContact CD1-CG 4.4Å; L91-F181 HydrophobicContact CD1-CZ 4.24Å; C109-F181 HydrophobicContact CB-CE1 3.83Å; I111-F181 HydrophobicContact CD1-CE1 4.16Å; I111-F181 HydrophobicContact CD1-CZ 3.94Å; Q146-F181 HydrophobicContact CB-CB 4.21Å; Q146-F181 PolarHBondContact O-N 3.22Å; I148-F181 HydrophobicContact CB-CE2 4.1Å; I148-F181 HydrophobicContact CD1-CE2 3.48Å; I148-F181 VanDerWaalsContact CD1-CE2 3.48Å; I148-F181 HydrophobicContact CD1-CZ 3.76Å; I148-F181 HydrophobicContact CG1-CD2 4.49Å; I148-F181 HydrophobicContact CG1-CE2 3.68Å; I148-F181 HydrophobicContact CG1-CZ 4.45Å; L179-F181 HydrophobicContact CB-CD2 4.47Å; L179-F181 HydrophobicContact CB-CE2 3.68Å; L179-F181 HydrophobicContact CB-CZ 4.01Å; L179-F181 HydrophobicContact CD2-CZ 4.18Å; F181-V192 HydrophobicContact CD1-CG2 4.06Å; F181-V192 HydrophobicContact CD2-CG2 4.09Å; F181-V192 HydrophobicContact CE1-CG2 4.21Å; F181-V192 HydrophobicContact CE2-CG2 4.28Å; F181-V192 HydrophobicContact CG-CG2 3.99Å; F181-V192 HydrophobicContact CZ-CG2 4.33Å
182	R	82.3	Confident	75.7	Confident	114 Å²	114	62.2 Å²	62.2	43%	0.43	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-68	136.5	175	-170.7	174.4	-73.2	171.2	-2.3	110.2	P90 N92	P90-R182 HydrophobicContact CB-CB 3.98Å; P90-R182 PolarHBondContact O-N 3.32Å; N92-R182 WeakPolarHBondContact ND2-CA 3.28Å
183	E	71.3	Confident	76.7	Confident	125 Å²	125	58.1 Å²	58.1	58%	0.584	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-63.4	145	172.7	-77.7	-176.2	-176.5	0	0	110.6	S185	E183-S185 PolarHBondContact O-N 3.35Å
184	P	62.3	Low	77.5	Confident	72 Å²	72	54.5 Å²	54.5	47%	0.468	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-61.8	123.2	176.2	23.9	-31.6	0	0	0	110	Y191	P184-Y191 HydrophobicContact CB-CD1 3.94Å; P184-Y191 HydrophobicContact CB-CG 4.24Å
185	S	57.4	Low	78.1	Confident	63 Å²	63	60.2 Å²	60.2	44%	0.441	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-93.5	153.2	169.6	66.6	0	0	0	0	109.3	E183 S187 D188	E183-S185 PolarHBondContact O-N 3.35Å; S185-S187 PolarHBondContact O-N 2.73Å; S185-D188 CarbonylContact O-C 3.52Å; S185-D188 PolarHBondContact O-N 3.45Å; S185-D188 VanDerWaalsContact O-O 3.09Å; S185-D188 WeakPolarHBondContact OG-CB 3.47Å
186	A	54.6	Low	78.2	Confident	115 Å²	115	54.7 Å²	54.7	95%	0.95	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24	-175.7	0	0	0	0	0	113.8
187	S	53.7	Low	78.2	Confident	96 Å²	96	53.3 Å²	53.3	67%	0.671	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-20.7	179.4	-54.1	0	0	0	0	113.6	S185	S185-S187 PolarHBondContact O-N 2.73Å
188	D	53.4	Low	78	Confident	63 Å²	63	56.2 Å²	56.2	34%	0.337	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-123.6	101.7	-167.2	-149.3	-4.3	0	0	0	109.7	S185 L190	S185-D188 CarbonylContact O-C 3.52Å; S185-D188 PolarHBondContact O-N 3.45Å; S185-D188 VanDerWaalsContact O-O 3.09Å; S185-D188 WeakPolarHBondContact OG-CB 3.47Å; D188-L190 PolarHBondContact O-N 2.69Å
189	L	59.3	Low	77.9	Confident	131 Å²	131	57.3 Å²	57.3	69%	0.686	33%	0.325	S	S	*	.			trans	-82.6	15.1	-176.4	-73.2	164	0	0	0	112.8	Y191	L189-Y191 PolarHBondContact O-N 3.25Å
190	L	69	Low	77.8	Confident	88 Å²	88	57.4 Å²	57.4	46%	0.461	33%	0.325	S	S	.	.			trans	-87.7	82.9	180	-67.8	172.6	0	0	0	110.5	D188	D188-L190 PolarHBondContact O-N 2.69Å
191	Y	79.5	Confident	77.9	Confident	71 Å²	71	57.2 Å²	57.2	28%	0.278	32%	0.324	S	S	.	.			trans	-129.5	154.1	169.3	68.4	-86	0	0	0	109.6	P184 L189 T193	P184-Y191 HydrophobicContact CB-CD1 3.94Å; P184-Y191 HydrophobicContact CB-CG 4.24Å; L189-Y191 PolarHBondContact O-N 3.25Å; Y191-T193 HydrophobicContact CD2-CG2 4.17Å; Y191-T193 HydrophobicContact CE2-CG2 3.63Å; Y191-T193 PolarHBondContact O-N 3.09Å
192	V	86.9	Confident	78.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.343	C	S	.	.			trans	-72.3	127.2	178.1	-170.3	0	0	0	0	108.3	V89 I111 F141 Q146 F181 L197	V89-V192 HydrophobicContact CB-CG2 4.08Å; V89-V192 HydrophobicContact CG1-CG2 3.72Å; V89-V192 HydrophobicContact CG2-CG2 3.98Å; I111-V192 HydrophobicContact CD1-CG1 4.18Å; I111-V192 HydrophobicContact CD1-CG2 3.94Å; F141-V192 HydrophobicContact CE1-CG1 4.23Å; F141-V192 HydrophobicContact CE2-CB 3.95Å; F141-V192 HydrophobicContact CE2-CG1 3.99Å; F141-V192 HydrophobicContact CZ-CB 3.7Å; F141-V192 HydrophobicContact CZ-CG1 3.71Å; F141-V192 VanDerWaalsContact CZ-O 3.31Å; F141-V192 WeakPolarHBondContact CZ-O 3.29Å; Q146-V192 PolarHBondContact NE2-O 3.14Å; F181-V192 HydrophobicContact CD1-CG2 4.06Å; F181-V192 HydrophobicContact CD2-CG2 4.09Å; F181-V192 HydrophobicContact CE1-CG2 4.21Å; F181-V192 HydrophobicContact CE2-CG2 4.28Å; F181-V192 HydrophobicContact CG-CG2 3.99Å; F181-V192 HydrophobicContact CZ-CG2 4.33Å; V192-L197 HydrophobicContact CG1-CD1 3.58Å; V192-L197 HydrophobicContact CG1-CG 3.71Å
193	T	89.2	Confident	78.7	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.055	34%	0.341	C	S	.	.			trans	-101.8	166.6	166.8	74.7	0	0	0	0	111.5	E143 Y191 D195 D196 L197	E143-T193 WeakPolarHBondContact OE1-CA 3.27Å; Y191-T193 HydrophobicContact CD2-CG2 4.17Å; Y191-T193 HydrophobicContact CE2-CG2 3.63Å; Y191-T193 PolarHBondContact O-N 3.09Å; T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.29Å; T193-D195 PolarHBondContact OG1-N 3.06Å; T193-D196 PolarHBondContact N-OD2 2.83Å; T193-D196 PolarHBondContact O-N 3.33Å; T193-D196 VanDerWaalsContact OG1-CG 3.3Å; T193-D196 PolarHBondContact OG1-N 3.3Å; T193-D196 PolarHBondContact OG1-OD2 3.05Å; T193-L197 PolarHBondContact O-N 3.26Å
194	V	88.8	Confident	79.8	Confident	20 Å²	20	54.2 Å²	54.2	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-43.2	172.6	176.9	0	0	0	0	111.2	F141 E143 D196 L197 E198 I212 N213	F141-V194 HydrophobicContact CD1-CG2 4.39Å; F141-V194 HydrophobicContact CE1-CG2 4.28Å; E143-V194 HydrophobicContact CB-CG2 4.5Å; E143-V194 WeakPolarHBondContact OE2-CG2 3.17Å; V194-D196 VanDerWaalsContact C-N 3.29Å; V194-D196 PolarHBondContact O-N 2.75Å; V194-L197 PolarHBondContact O-N 2.84Å; V194-L197 VanDerWaalsContact O-N 3.1Å; V194-E198 PolarHBondContact O-N 3.08Å; V194-E198 VanDerWaalsContact O-N 3.08Å; V194-I212 HydrophobicContact CG1-CB 4.39Å; V194-I212 HydrophobicContact CG1-CD1 3.56Å; V194-I212 HydrophobicContact CG1-CG1 3.85Å; V194-N213 WeakPolarHBondContact CG2-OD1 3.43Å
195	D	88.3	Confident	81.3	Confident	126 Å²	126	55.6 Å²	55.6	67%	0.674	31%	0.309	S	S	*	.	H	α-helix	trans	-60.6	-37	179.1	-65.9	-30.4	0	0	0	112.7	T193 L197 E198	T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.29Å; T193-D195 PolarHBondContact OG1-N 3.06Å; D195-L197 PolarHBondContact O-N 2.82Å; D195-E198 WeakPolarHBondContact O-CB 3.16Å; D195-E198 PolarHBondContact O-N 3.35Å
196	D	87.9	Confident	83	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-27	179.6	-62.6	-30.7	0	0	0	111.6	H87 T193 V194	H87-D196 VanDerWaalsContact CE1-CG 3.48Å; H87-D196 IonicContact CE1-OD1 3.84Å; H87-D196 PolarHBondContact CE1-OD1 2.91Å; H87-D196 IonicContact ND1-OD1 3.49Å; H87-D196 PolarHBondContact ND1-OD1 2.93Å; H87-D196 VanDerWaalsContact ND1-OD1 3.13Å; H87-D196 IonicContact ND1-OD2 3.62Å; H87-D196 IonicContact NE2-OD1 2.73Å; T193-D196 PolarHBondContact N-OD2 2.83Å; T193-D196 PolarHBondContact O-N 3.33Å; T193-D196 VanDerWaalsContact OG1-CG 3.3Å; T193-D196 PolarHBondContact OG1-N 3.3Å; T193-D196 PolarHBondContact OG1-OD2 3.05Å; V194-D196 VanDerWaalsContact C-N 3.29Å; V194-D196 PolarHBondContact O-N 2.75Å
197	L	92	Very high	84.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-92.6	-12	177.1	-79.5	169.1	0	0	0	114.1	I111 F141 I148 V192 T193 V194 D195 G199 L200 A201	I111-L197 HydrophobicContact CD1-CD2 4.35Å; I111-L197 HydrophobicContact CG2-CD2 3.67Å; F141-L197 HydrophobicContact CB-CD1 3.61Å; F141-L197 HydrophobicContact CD1-CD1 3.41Å; F141-L197 VanDerWaalsContact CD1-CD1 3.41Å; F141-L197 HydrophobicContact CD2-CD1 3.65Å; F141-L197 HydrophobicContact CE1-CD1 3.89Å; F141-L197 HydrophobicContact CE2-CD1 4.12Å; F141-L197 HydrophobicContact CG-CD1 3.25Å; F141-L197 HydrophobicContact CZ-CD1 4.21Å; I148-L197 HydrophobicContact CD1-CD1 3.86Å; I148-L197 HydrophobicContact CD1-CD2 3.83Å; I148-L197 HydrophobicContact CD1-CG 4.41Å; I148-L197 HydrophobicContact CG1-CD1 4.08Å; V192-L197 HydrophobicContact CG1-CD1 3.58Å; V192-L197 HydrophobicContact CG1-CG 3.71Å; T193-L197 PolarHBondContact O-N 3.26Å; V194-L197 PolarHBondContact O-N 2.84Å; V194-L197 VanDerWaalsContact O-N 3.1Å; D195-L197 PolarHBondContact O-N 2.82Å; L197-G199 VanDerWaalsContact C-N 3.28Å; L197-G199 PolarHBondContact O-N 2.78Å; L197-L200 HydrophobicContact CD2-CD2 4.13Å; L197-L200 PolarHBondContact O-N 2.82Å; L197-L200 VanDerWaalsContact O-N 3.09Å; L197-A201 WeakPolarHBondContact O-CB 3.3Å; L197-A201 PolarHBondContact O-N 2.71Å
198	E	90.8	Very high	86.3	Confident	61 Å²	61	56 Å²	56	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-39	-172.3	-170.1	57.8	-140.4	0	0	112.1	V194 D195 L200 A201 N202 R205 I212	V194-E198 PolarHBondContact O-N 3.08Å; V194-E198 VanDerWaalsContact O-N 3.08Å; D195-E198 WeakPolarHBondContact O-CB 3.16Å; D195-E198 PolarHBondContact O-N 3.35Å; E198-L200 PolarHBondContact O-N 3.27Å; E198-A201 PolarHBondContact O-N 2.95Å; E198-N202 WeakPolarHBondContact O-CB 3.38Å; E198-N202 PolarHBondContact O-N 2.9Å; E198-N202 PolarHBondContact O-ND2 2.8Å; E198-N202 PolarHBondContact OE1-ND2 3.25Å; E198-R205 IonicContact OE1-CZ 3.6Å; E198-R205 IonicContact OE1-NH1 3.74Å; E198-R205 PolarHBondContact OE1-NH1 3.41Å; E198-R205 IonicContact OE1-NH2 3.97Å; E198-R205 PolarHBondContact OE1-NH2 3.42Å; E198-R205 IonicContact OE2-NH2 2.75Å; E198-I212 WeakPolarHBondContact OE2-CD1 3.39Å
199	G	91	Very high	88.2	Confident	24 Å²	24	55.3 Å²	55.3	25%	0.247	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-46	176	0	0	0	0	0	112.7	L197 R203	L197-G199 VanDerWaalsContact C-N 3.28Å; L197-G199 PolarHBondContact O-N 2.78Å; G199-R203 PolarHBondContact O-N 2.98Å
200	L	94.3	Very high	89.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-45.3	177.4	-178	62.3	0	0	0	111.6	I111 S112 S113 I116 H133 M136 L139 L197 E198 N202 R203 V204	I111-L200 HydrophobicContact CG2-CD2 4.37Å; S112-L200 WeakPolarHBondContact O-CB 3.03Å; S113-L200 WeakPolarHBondContact O-CA 3.42Å; I116-L200 HydrophobicContact CD1-CD2 3.7Å; I116-L200 HydrophobicContact CG1-CD2 3.47Å; I116-L200 VanDerWaalsContact CG1-CD2 3.47Å; H133-L200 HydrophobicContact CB-CD1 4.07Å; M136-L200 HydrophobicContact CE-CD1 4.22Å; M136-L200 HydrophobicContact CE-CD2 4.22Å; M136-L200 HydrophobicContact SD-CD1 4.46Å; M136-L200 HydrophobicContact SD-CD2 4.41Å; L139-L200 HydrophobicContact CD2-CD2 4.08Å; L139-L200 HydrophobicContact CD2-CG 4.12Å; L197-L200 HydrophobicContact CD2-CD2 4.13Å; L197-L200 PolarHBondContact O-N 2.82Å; L197-L200 VanDerWaalsContact O-N 3.09Å; E198-L200 PolarHBondContact O-N 3.27Å; L200-N202 VanDerWaalsContact C-N 3.27Å; L200-N202 PolarHBondContact O-N 3.22Å; L200-R203 PolarHBondContact O-N 3Å; L200-R203 VanDerWaalsContact O-N 3.08Å; L200-V204 HydrophobicContact CG-CG2 4.46Å; L200-V204 WeakPolarHBondContact O-CG2 3.46Å; L200-V204 PolarHBondContact O-N 2.94Å
201	A	93.9	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-41.7	179.4	0	0	0	0	0	111.3	L139 L197 E198 R203 V204 R205 C210 I212	L139-A201 HydrophobicContact CD2-CB 4.34Å; L197-A201 WeakPolarHBondContact O-CB 3.3Å; L197-A201 PolarHBondContact O-N 2.71Å; E198-A201 PolarHBondContact O-N 2.95Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 2.83Å; A201-V204 PolarHBondContact O-N 2.99Å; A201-R205 VanDerWaalsContact O-CG 3.29Å; A201-R205 WeakPolarHBondContact O-CG 3.3Å; A201-R205 PolarHBondContact O-N 2.75Å; A201-C210 HydrophobicContact CB-CB 4.41Å; A201-I212 HydrophobicContact CB-CD1 4.35Å; A201-I212 HydrophobicContact CB-CG2 3.79Å
202	N	94.4	Very high	91.7	Very high	77 Å²	77	45.6 Å²	45.6	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-42	175.3	-79.1	-45.8	0	0	0	112.9	E198 L200 R205	E198-N202 WeakPolarHBondContact O-CB 3.38Å; E198-N202 PolarHBondContact O-N 2.9Å; E198-N202 PolarHBondContact O-ND2 2.8Å; E198-N202 PolarHBondContact OE1-ND2 3.25Å; L200-N202 VanDerWaalsContact C-N 3.27Å; L200-N202 PolarHBondContact O-N 3.22Å; N202-R205 PolarHBondContact O-N 3.1Å; N202-R205 PolarHBondContact OD1-NH1 2.98Å
203	R	94.5	Very high	91.8	Very high	101 Å²	101	51.4 Å²	51.4	38%	0.381	27%	0.274	S	S	.	.	H	α-helix	trans	-68.5	-39	176.1	-60.9	-55.9	-65.4	-100.2	-3.1	112.3	S113 H133 G199 L200 A201 R205 E206	S113-R203 WeakPolarHBondContact O-CG 3.42Å; H133-R203 HydrophobicContact CB-CB 3.91Å; G199-R203 PolarHBondContact O-N 2.98Å; L200-R203 PolarHBondContact O-N 3Å; L200-R203 VanDerWaalsContact O-N 3.08Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 2.83Å; R203-R205 VanDerWaalsContact C-N 3.34Å; R203-R205 PolarHBondContact O-N 2.92Å; R203-E206 WeakPolarHBondContact CD-OE1 3.3Å; R203-E206 IonicContact NE-OE1 2.82Å; R203-E206 PolarHBondContact NE-OE1 3.36Å; R203-E206 IonicContact NE-OE2 4Å; R203-E206 PolarHBondContact NE-OE2 3.46Å; R203-E206 IonicContact NH2-OE2 2.72Å; R203-E206 WeakPolarHBondContact O-CB 3.46Å; R203-E206 PolarHBondContact O-N 3.01Å
204	V	94.7	Very high	92	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-37.5	175.6	177	0	0	0	0	111.3	H133 M136 L139 L200 A201 E206 N207 G208	H133-V204 HydrophobicContact CB-CG2 4.04Å; M136-V204 HydrophobicContact CB-CG1 4.15Å; M136-V204 HydrophobicContact CB-CG2 3.96Å; M136-V204 HydrophobicContact CG-CG2 4.32Å; M136-V204 HydrophobicContact SD-CG2 3.69Å; L139-V204 HydrophobicContact CB-CG1 4.11Å; L139-V204 HydrophobicContact CB-CG2 4.42Å; L139-V204 HydrophobicContact CD2-CG2 4.41Å; L200-V204 HydrophobicContact CG-CG2 4.46Å; L200-V204 WeakPolarHBondContact O-CG2 3.46Å; L200-V204 PolarHBondContact O-N 2.94Å; A201-V204 PolarHBondContact O-N 2.99Å; V204-E206 PolarHBondContact O-N 3.02Å; V204-N207 PolarHBondContact O-N 2.82Å; V204-G208 CarbonylContact O-C 3.6Å; V204-G208 VanDerWaalsContact O-CA 3.23Å; V204-G208 WeakPolarHBondContact O-CA 3.43Å; V204-G208 PolarHBondContact O-N 3Å
205	R	94.6	Very high	92.2	Very high	101 Å²	101	53.2 Å²	53.2	38%	0.381	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-21.7	176.2	-74	173.4	-166.5	132.5	8	113.6	E198 A201 N202 R203 N207 C210	E198-R205 IonicContact OE1-CZ 3.6Å; E198-R205 IonicContact OE1-NH1 3.74Å; E198-R205 PolarHBondContact OE1-NH1 3.41Å; E198-R205 IonicContact OE1-NH2 3.97Å; E198-R205 PolarHBondContact OE1-NH2 3.42Å; E198-R205 IonicContact OE2-NH2 2.75Å; A201-R205 VanDerWaalsContact O-CG 3.29Å; A201-R205 WeakPolarHBondContact O-CG 3.3Å; A201-R205 PolarHBondContact O-N 2.75Å; N202-R205 PolarHBondContact O-N 3.1Å; N202-R205 PolarHBondContact OD1-NH1 2.98Å; R203-R205 VanDerWaalsContact C-N 3.34Å; R203-R205 PolarHBondContact O-N 2.92Å; R205-N207 VanDerWaalsContact C-N 3.28Å; R205-N207 PolarHBondContact O-N 2.86Å; R205-C210 VanDerWaalsContact CG-SG 3.51Å; R205-C210 VanDerWaalsContact CZ-SG 3.53Å; R205-C210 PolarHBondContact NE-SG 2.96Å; R205-C210 PolarHBondContact NH2-SG 3.41Å; R205-C210 VanDerWaalsContact NH2-SG 3.44Å
206	E	91.7	Very high	92.1	Very high	111 Å²	111	48.2 Å²	48.2	52%	0.519	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.4	178.4	-66.1	171.6	177.6	0	0	111.8	R203 V204	R203-E206 WeakPolarHBondContact CD-OE1 3.3Å; R203-E206 IonicContact NE-OE1 2.82Å; R203-E206 PolarHBondContact NE-OE1 3.36Å; R203-E206 IonicContact NE-OE2 4Å; R203-E206 PolarHBondContact NE-OE2 3.46Å; R203-E206 IonicContact NH2-OE2 2.72Å; R203-E206 WeakPolarHBondContact O-CB 3.46Å; R203-E206 PolarHBondContact O-N 3.01Å; V204-E206 PolarHBondContact O-N 3.02Å
207	N	87.7	Confident	92	Very high	143 Å²	143	54.5 Å²	54.5	77%	0.765	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	4.2	-176	-64	-60.3	0	0	0	114.3	V204 R205	V204-N207 PolarHBondContact O-N 2.82Å; R205-N207 VanDerWaalsContact C-N 3.28Å; R205-N207 PolarHBondContact O-N 2.86Å
208	G	90.7	Very high	91.9	Very high	28 Å²	28	58.9 Å²	58.9	29%	0.289	31%	0.311	S	S	.	.	S	Bend	trans	-148.4	-156.9	-173.8	0	0	0	0	0	111.1	E137 V204	E137-G208 WeakPolarHBondContact O-CA 3.36Å; V204-G208 CarbonylContact O-C 3.6Å; V204-G208 VanDerWaalsContact O-CA 3.23Å; V204-G208 WeakPolarHBondContact O-CA 3.43Å; V204-G208 PolarHBondContact O-N 3Å
209	S	93.4	Very high	91.7	Very high	50 Å²	50	56 Å²	56	35%	0.35	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.6	-179.1	55.2	0	0	0	0	111.1	E137 M138 L139	E137-S209 PolarHBondContact O-N 3.49Å; M138-S209 CarbonylContact C-O 3.59Å; M138-S209 VanDerWaalsContact CA-O 3.23Å; M138-S209 WeakPolarHBondContact CA-O 3.44Å; M138-S209 WeakPolarHBondContact CE-OG 3.49Å; M138-S209 WeakPolarHBondContact CG-OG 3.34Å; L139-S209 PolarHBondContact N-O 2.92Å
210	C	94.3	Very high	91.3	Very high	33 Å²	33	58.4 Å²	58.4	22%	0.223	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.8	173.2	72	0	0	0	0	112.8	L139 A201 R205	L139-C210 HydrophobicContact CB-CB 4.19Å; L139-C210 CarbonylContact O-C 3.57Å; L139-C210 WeakPolarHBondContact O-CA 3.34Å; L139-C210 VanDerWaalsContact O-CB 3.32Å; L139-C210 WeakPolarHBondContact O-CB 2.8Å; A201-C210 HydrophobicContact CB-CB 4.41Å; R205-C210 VanDerWaalsContact CG-SG 3.51Å; R205-C210 VanDerWaalsContact CZ-SG 3.53Å; R205-C210 PolarHBondContact NE-SG 2.96Å; R205-C210 PolarHBondContact NH2-SG 3.41Å; R205-C210 VanDerWaalsContact NH2-SG 3.44Å
211	D	94.2	Very high	90.7	Very high	46 Å²	46	64.8 Å²	64.8	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	84.4	170.4	-178.6	10.6	0	0	0	108.7	L139 V140 F141 N213 C214 K218	L139-D211 PolarHBondContact O-N 2.99Å; V140-D211 CarbonylContact C-O 3.54Å; V140-D211 VanDerWaalsContact CA-O 3.28Å; V140-D211 WeakPolarHBondContact CA-O 3.42Å; V140-D211 HydrophobicContact CG1-CB 4.35Å; V140-D211 HydrophobicContact CG2-CB 4.3Å; F141-D211 PolarHBondContact N-O 3.34Å; D211-N213 VanDerWaalsContact C-N 3.28Å; D211-C214 PolarHBondContact OD1-N 3.48Å; D211-K218 IonicContact OD2-NZ 2.7Å; D211-K218 PolarHBondContact OD2-NZ 3.35Å
212	I	91.5	Very high	90.4	Very high	7 Å²	7	65.6 Å²	65.6	4%	0.036	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.9	-177.4	60.4	-178.5	0	0	0	113.6	F141 V194 E198 A201	F141-I212 HydrophobicContact CB-CB 4.41Å; F141-I212 HydrophobicContact CB-CG2 4.48Å; F141-I212 WeakPolarHBondContact CD1-O 3.27Å; F141-I212 CarbonylContact O-C 3.57Å; F141-I212 VanDerWaalsContact O-C 3.29Å; F141-I212 VanDerWaalsContact O-O 3.09Å; V194-I212 HydrophobicContact CG1-CB 4.39Å; V194-I212 HydrophobicContact CG1-CD1 3.56Å; V194-I212 HydrophobicContact CG1-CG1 3.85Å; E198-I212 WeakPolarHBondContact OE2-CD1 3.39Å; A201-I212 HydrophobicContact CB-CD1 4.35Å; A201-I212 HydrophobicContact CB-CG2 3.79Å
213	N	90.8	Very high	89.7	Confident	122 Å²	122	62 Å²	62	65%	0.652	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	39	177.5	-72.5	-54	0	0	0	110.4	V194 D211 S215	V194-N213 WeakPolarHBondContact CG2-OD1 3.43Å; D211-N213 VanDerWaalsContact C-N 3.28Å; N213-S215 PolarHBondContact O-N 2.94Å
214	C	93.4	Very high	88.7	Confident	6 Å²	6	60.4 Å²	60.4	4%	0.041	32%	0.319	C	S	.	.			trans	-67.8	129	-177.1	-176.5	0	0	0	0	110.7	V140 F141 C142 D211	V140-C214 HydrophobicContact CG1-CB 3.49Å; V140-C214 VanDerWaalsContact CG1-CB 3.49Å; V140-C214 VanDerWaalsContact CG1-SG 3.58Å; F141-C214 WeakPolarHBondContact O-CB 3.07Å; F141-C214 PolarHBondContact O-N 3.24Å; C142-C214 HydrophobicContact CB-CB 4.3Å; C142-C214 PolarHBondContact SG-O 2.86Å; D211-C214 PolarHBondContact OD1-N 3.48Å
215	S	92.5	Very high	87.9	Confident	60 Å²	60	64 Å²	64	42%	0.42	34%	0.344	S	S	.	.			trans	-65.7	152.7	177.2	74.6	0	0	0	0	111.6	N213 E217 K218 A219	N213-S215 PolarHBondContact O-N 2.94Å; S215-E217 PolarHBondContact O-N 3.32Å; S215-K218 PolarHBondContact O-N 2.9Å; S215-K218 WeakPolarHBondContact OG-CB 3.21Å; S215-K218 PolarHBondContact OG-N 2.85Å; S215-A219 WeakPolarHBondContact O-CB 3.33Å; S215-A219 PolarHBondContact O-N 2.9Å
216	A	86.2	Confident	87	Confident	22 Å²	22	60 Å²	60	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-25.6	176.9	0	0	0	0	0	113.1	L145 R220	L145-A216 HydrophobicContact CD1-CB 4.11Å; L145-A216 HydrophobicContact CD2-CB 4.32Å; L145-A216 HydrophobicContact CG-CB 4.03Å; A216-R220 WeakPolarHBondContact O-CB 3.27Å; A216-R220 VanDerWaalsContact O-CG 3.27Å; A216-R220 WeakPolarHBondContact O-CG 3.08Å; A216-R220 PolarHBondContact O-N 2.92Å
217	E	85.4	Confident	85.8	Confident	151 Å²	151	55.2 Å²	55.2	71%	0.706	31%	0.312	S	S	*	.	H	α-helix	trans	-69.4	-53.6	174.9	-67.3	175.3	177.9	0	0	110.6	S215 A219 R220 E221	S215-E217 PolarHBondContact O-N 3.32Å; E217-A219 VanDerWaalsContact C-N 3.34Å; E217-A219 PolarHBondContact O-N 3.16Å; E217-R220 WeakPolarHBondContact O-CA 3.29Å; E217-R220 WeakPolarHBondContact O-CB 3.43Å; E217-R220 PolarHBondContact O-N 3.5Å; E217-E221 PolarHBondContact O-N 2.82Å
218	K	88.8	Confident	85	Confident	91 Å²	91	48.5 Å²	48.5	40%	0.396	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-41	177.9	-175.5	178.1	178.5	-172.2	0	112.1	D211 S215 R220 E221 I222	D211-K218 IonicContact OD2-NZ 2.7Å; D211-K218 PolarHBondContact OD2-NZ 3.35Å; S215-K218 PolarHBondContact O-N 2.9Å; S215-K218 WeakPolarHBondContact OG-CB 3.21Å; S215-K218 PolarHBondContact OG-N 2.85Å; K218-R220 VanDerWaalsContact C-N 3.3Å; K218-R220 PolarHBondContact O-N 3.28Å; K218-E221 WeakPolarHBondContact O-CB 3.16Å; K218-E221 PolarHBondContact O-N 3.45Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 2.72Å
219	A	87.4	Confident	83.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-39.4	174.3	0	0	0	0	0	112.1	C142 L145 F149 S215 E217 I222 L223	C142-A219 HydrophobicContact CB-CB 3.62Å; L145-A219 HydrophobicContact CD1-CB 3.88Å; F149-A219 HydrophobicContact CE2-CB 3.94Å; F149-A219 HydrophobicContact CZ-CB 4.14Å; S215-A219 WeakPolarHBondContact O-CB 3.33Å; S215-A219 PolarHBondContact O-N 2.9Å; E217-A219 VanDerWaalsContact C-N 3.34Å; E217-A219 PolarHBondContact O-N 3.16Å; A219-I222 PolarHBondContact O-N 3.35Å; A219-L223 WeakPolarHBondContact O-CG 3.3Å; A219-L223 PolarHBondContact O-N 3.33Å
220	R	82.9	Confident	82.7	Confident	76 Å²	76	51 Å²	51	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-69.6	-34.2	174.5	-77.6	-174.5	-177.7	104.8	0.4	112.9	L145 A216 E217 K218 S224	L145-R220 HydrophobicContact CD1-CG 4.03Å; A216-R220 WeakPolarHBondContact O-CB 3.27Å; A216-R220 VanDerWaalsContact O-CG 3.27Å; A216-R220 WeakPolarHBondContact O-CG 3.08Å; A216-R220 PolarHBondContact O-N 2.92Å; E217-R220 WeakPolarHBondContact O-CA 3.29Å; E217-R220 WeakPolarHBondContact O-CB 3.43Å; E217-R220 PolarHBondContact O-N 3.5Å; K218-R220 VanDerWaalsContact C-N 3.3Å; K218-R220 PolarHBondContact O-N 3.28Å; R220-S224 VanDerWaalsContact O-CB 3.29Å; R220-S224 WeakPolarHBondContact O-CB 3.27Å; R220-S224 PolarHBondContact O-N 3.27Å; R220-S224 PolarHBondContact O-OG 2.79Å
221	E	81.7	Confident	80.9	Confident	134 Å²	134	51 Å²	51	63%	0.626	27%	0.269	S	S	*	.	H	α-helix	trans	-63	-45.1	171.5	-70.2	173.5	-179.3	0	0	111.2	E217 K218 S224 S225	E217-E221 PolarHBondContact O-N 2.82Å; K218-E221 WeakPolarHBondContact O-CB 3.16Å; K218-E221 PolarHBondContact O-N 3.45Å; E221-S224 PolarHBondContact O-N 2.87Å; E221-S225 WeakPolarHBondContact O-CB 3.39Å; E221-S225 PolarHBondContact O-N 2.69Å
222	I	86.6	Confident	78.7	Confident	18 Å²	18	56.4 Å²	56.4	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-50.4	175.7	-65.9	168.3	0	0	0	110.4	V140 F149 W176 K218 A219 S224 S225 C226	V140-I222 HydrophobicContact CG1-CD1 4.13Å; F149-I222 HydrophobicContact CD1-CB 4.31Å; F149-I222 HydrophobicContact CD1-CG2 3.4Å; F149-I222 HydrophobicContact CD2-CD1 4.46Å; F149-I222 HydrophobicContact CE1-CB 4.05Å; F149-I222 HydrophobicContact CE1-CG2 3.53Å; F149-I222 HydrophobicContact CG-CG2 4.04Å; F149-I222 HydrophobicContact CZ-CB 4.32Å; F149-I222 HydrophobicContact CZ-CG2 4.25Å; W176-I222 HydrophobicContact CD2-CG2 4.09Å; W176-I222 HydrophobicContact CG-CG2 3.99Å; W176-I222 HydrophobicContact CZ2-CD1 4.28Å; W176-I222 HydrophobicContact CZ2-CG2 4.39Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 2.72Å; A219-I222 PolarHBondContact O-N 3.35Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 2.92Å; I222-S225 PolarHBondContact O-N 2.9Å; I222-S225 PolarHBondContact O-OG 3.19Å; I222-C226 PolarHBondContact O-N 3.42Å; I222-C226 PolarHBondContact O-SG 3.11Å
223	L	79.8	Confident	76.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-55.2	-48.2	175.7	-73.9	167.2	0	0	0	111.1	F149 I178 A219 S225 C226 G227 L228 L230 L283	F149-L223 HydrophobicContact CE1-CD2 3.73Å; F149-L223 HydrophobicContact CE1-CG 3.74Å; F149-L223 HydrophobicContact CZ-CD1 4.33Å; F149-L223 HydrophobicContact CZ-CD2 4.15Å; F149-L223 HydrophobicContact CZ-CG 3.8Å; I178-L223 HydrophobicContact CD1-CD2 4.35Å; I178-L223 HydrophobicContact CG2-CD2 3.94Å; A219-L223 WeakPolarHBondContact O-CG 3.3Å; A219-L223 PolarHBondContact O-N 3.33Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.43Å; L223-C226 CarbonylContact O-C 3.34Å; L223-C226 WeakPolarHBondContact O-CA 3.47Å; L223-C226 WeakPolarHBondContact O-CB 3.38Å; L223-C226 PolarHBondContact O-N 3.24Å; L223-G227 PolarHBondContact O-N 3.19Å; L223-L228 CarbonylContact C-O 3.53Å; L223-L228 HydrophobicContact CB-CB 4.27Å; L223-L228 WeakPolarHBondContact CB-O 3.48Å; L223-L228 HydrophobicContact CD2-CB 3.93Å; L223-L228 HydrophobicContact CD2-CD1 4.22Å; L223-L228 PolarHBondContact O-N 2.79Å; L223-L228 VanDerWaalsContact O-O 3.06Å; L223-L230 HydrophobicContact CD1-CB 4.4Å; L223-L230 HydrophobicContact CD1-CD1 3.64Å; L223-L230 HydrophobicContact CD1-CG 3.74Å; L223-L283 HydrophobicContact CD2-CD1 3.74Å
224	S	75.3	Confident	73.5	Confident	69 Å²	69	61.4 Å²	61.4	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-38.6	-179.9	-58.5	0	0	0	0	111.7	R220 E221 I222 C226 G227 L228	R220-S224 VanDerWaalsContact O-CB 3.29Å; R220-S224 WeakPolarHBondContact O-CB 3.27Å; R220-S224 PolarHBondContact O-N 3.27Å; R220-S224 PolarHBondContact O-OG 2.79Å; E221-S224 PolarHBondContact O-N 2.87Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 2.92Å; S224-C226 VanDerWaalsContact C-N 3.26Å; S224-C226 PolarHBondContact O-N 3.47Å; S224-G227 WeakPolarHBondContact O-CA 3.32Å; S224-G227 PolarHBondContact O-N 3.13Å; S224-L228 PolarHBondContact N-O 2.73Å
225	S	77.8	Confident	70.4	Confident	75 Å²	75	66 Å²	66	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-25.9	174.7	81.7	0	0	0	0	113.5	E221 I222 L223 G227	E221-S225 WeakPolarHBondContact O-CB 3.39Å; E221-S225 PolarHBondContact O-N 2.69Å; I222-S225 PolarHBondContact O-N 2.9Å; I222-S225 PolarHBondContact O-OG 3.19Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.43Å; S225-G227 VanDerWaalsContact C-N 3.27Å
226	C	75.5	Confident	67.2	Low	19 Å²	19	72.6 Å²	72.6	13%	0.128	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.3	171.2	-58.6	0	0	0	0	112.3	R98 I178 I222 L223 S224 L228	R98-C226 PolarHBondContact N-O 3.41Å; I178-C226 HydrophobicContact CD1-CB 3.85Å; I222-C226 PolarHBondContact O-N 3.42Å; I222-C226 PolarHBondContact O-SG 3.11Å; L223-C226 CarbonylContact O-C 3.34Å; L223-C226 WeakPolarHBondContact O-CA 3.47Å; L223-C226 WeakPolarHBondContact O-CB 3.38Å; L223-C226 PolarHBondContact O-N 3.24Å; S224-C226 VanDerWaalsContact C-N 3.26Å; S224-C226 PolarHBondContact O-N 3.47Å; C226-L228 VanDerWaalsContact C-N 3.32Å; C226-L228 HydrophobicContact CB-CG 4.33Å
227	G	66.9	Low	64.1	Low	10 Å²	10	81.5 Å²	81.5	10%	0.103	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	19.5	179.9	0	0	0	0	0	115.3	R98 L223 S224 S225	R98-G227 WeakPolarHBondContact CG-O 3.38Å; R98-G227 PolarHBondContact NE-O 3.02Å; L223-G227 PolarHBondContact O-N 3.19Å; S224-G227 WeakPolarHBondContact O-CA 3.32Å; S224-G227 PolarHBondContact O-N 3.13Å; S225-G227 VanDerWaalsContact C-N 3.27Å
228	L	70.9	Confident	61.2	Low	2 Å²	2	80.2 Å²	80.2	1%	0.01	40%	0.402	C	S	.	.			trans	-106.6	157.2	178.6	-56.3	-174.9	0	0	0	110.3	S95 R98 I101 I178 L223 S224 C226 L282 L283	S95-L228 WeakPolarHBondContact OG-CD1 3.38Å; R98-L228 HydrophobicContact CG-CD2 4.41Å; I101-L228 HydrophobicContact CD1-CD2 3.8Å; I101-L228 HydrophobicContact CG1-CD2 4.46Å; I178-L228 HydrophobicContact CD1-CD1 3.53Å; L223-L228 CarbonylContact C-O 3.53Å; L223-L228 HydrophobicContact CB-CB 4.27Å; L223-L228 WeakPolarHBondContact CB-O 3.48Å; L223-L228 HydrophobicContact CD2-CB 3.93Å; L223-L228 HydrophobicContact CD2-CD1 4.22Å; L223-L228 PolarHBondContact O-N 2.79Å; L223-L228 VanDerWaalsContact O-O 3.06Å; S224-L228 PolarHBondContact N-O 2.73Å; C226-L228 VanDerWaalsContact C-N 3.32Å; C226-L228 HydrophobicContact CB-CG 4.33Å; L228-L282 HydrophobicContact CD2-CB 4.38Å; L228-L282 HydrophobicContact CD2-CD2 3.8Å; L228-L282 HydrophobicContact CD2-CG 4.46Å; L228-L283 HydrophobicContact CB-CD1 3.81Å; L228-L283 HydrophobicContact CB-CG 4Å; L228-L283 HydrophobicContact CD1-CD1 3.89Å; L228-L283 HydrophobicContact CD1-CD2 4.32Å; L228-L283 HydrophobicContact CD1-CG 4.17Å; L228-L283 HydrophobicContact CD2-CG 4.35Å; L228-L283 HydrophobicContact CG-CD1 4.39Å; L228-L283 HydrophobicContact CG-CG 4.41Å
229	R	65.9	Low	58.1	Low	118 Å²	118	83.5 Å²	83.5	45%	0.445	42%	0.424	S	S	.	.			trans	-153.7	132	173.2	170.5	177.5	-172.2	147.2	-5	110	G281 L283 T284	R229-G281 CarbonylContact O-C 3.59Å; R229-G281 WeakPolarHBondContact O-CA 3.37Å; R229-L283 WeakPolarHBondContact O-CB 3.45Å; R229-L283 PolarHBondContact O-N 3.45Å; R229-T284 PolarHBondContact O-N 2.99Å; R229-T284 PolarHBondContact O-OG1 2.69Å
230	L	68.5	Low	55	Low	11 Å²	11	88.1 Å²	88.1	6%	0.058	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-87.3	158.9	177.1	-76.5	174.7	0	0	0	111.9	L145 V147 V180 L223 L283 T284 I287	L145-L230 HydrophobicContact CB-CD1 4.16Å; L145-L230 HydrophobicContact CD1-CD1 4.33Å; V147-L230 HydrophobicContact CG2-CD1 3.61Å; V180-L230 HydrophobicContact CG1-CD2 3.92Å; L223-L230 HydrophobicContact CD1-CB 4.4Å; L223-L230 HydrophobicContact CD1-CD1 3.64Å; L223-L230 HydrophobicContact CD1-CG 3.74Å; L230-L283 HydrophobicContact CD2-CB 3.88Å; L230-L283 HydrophobicContact CD2-CD1 3.9Å; L230-L283 HydrophobicContact CG-CD1 4.18Å; L230-T284 PolarHBondContact O-OG1 2.93Å; L230-I287 HydrophobicContact CD2-CD1 3.49Å; L230-I287 VanDerWaalsContact CD2-CD1 3.49Å
231	P	56.3	Low	52.2	Low	34 Å²	34	91 Å²	91	22%	0.221	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-53.2	146.2	169.5	-13.7	22.2	0	0	0	111.1	A233 T284	P231-A233 PolarHBondContact O-N 3.09Å; P231-T284 WeakPolarHBondContact CA-OG1 3.32Å; P231-T284 HydrophobicContact CB-CG2 3.98Å; P231-T284 HydrophobicContact CG-CG2 3.86Å
232	R	48.6	Very low	49.4	Very low	159 Å²	159	94.6 Å²	94.6	60%	0.6	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-75.9	122	164	-79.6	-178.5	171.6	156	-4	106.7	E234	R232-E234 PolarHBondContact O-N 3.4Å; R232-E234 VanDerWaalsContact O-N 3.07Å
233	A	44.4	Very low	46.4	Very low	70 Å²	70	105.1 Å²	105.1	58%	0.579	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-56.1	116.2	166.4	0	0	0	0	0	107.6	P231 S235	P231-A233 PolarHBondContact O-N 3.09Å; A233-S235 PolarHBondContact O-N 3.49Å; A233-S235 VanDerWaalsContact O-N 3.08Å
234	E	29.3	Very low	43.7	Very low	164 Å²	164	114.1 Å²	114.1	77%	0.766	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55.1	121.3	168.4	-71.1	-174.4	168.5	0	0	106.5	R232 K236	R232-E234 PolarHBondContact O-N 3.4Å; R232-E234 VanDerWaalsContact O-N 3.07Å; E234-K236 VanDerWaalsContact C-N 3.26Å; E234-K236 PolarHBondContact O-N 3.32Å
235	S	27.9	Very low	41.2	Very low	102 Å²	102	115.5 Å²	115.5	71%	0.713	59%	0.587	S	S	*	*			trans	-62.3	93.7	178.5	-64.6	0	0	0	0	108.1	A233 R237	A233-S235 PolarHBondContact O-N 3.49Å; A233-S235 VanDerWaalsContact O-N 3.08Å; S235-R237 PolarHBondContact O-N 3.28Å
236	K	24.2	Very low	38.7	Very low	199 Å²	199	121.3 Å²	121.3	87%	0.865	61%	0.606	S	S	*	*			trans	-64.8	72	159	-74.4	-177.3	179.4	174.4	0	106.6	E234 T238	E234-K236 VanDerWaalsContact C-N 3.26Å; E234-K236 PolarHBondContact O-N 3.32Å; K236-T238 PolarHBondContact O-N 3.34Å
237	R	22.7	Very low	36.1	Very low	210 Å²	210	127.4 Å²	127.4	79%	0.792	64%	0.635	S	S	*	*			trans	-63.7	107.7	170.7	-82.1	-171.9	-178.6	-174.6	0.7	106.1	S235 N239	S235-R237 PolarHBondContact O-N 3.28Å; R237-N239 PolarHBondContact O-N 2.96Å
238	T	23.8	Very low	34.2	Very low	123 Å²	123	132.5 Å²	132.5	76%	0.755	67%	0.67	S	S	*	*			trans	-49.4	101.3	157.9	45.8	0	0	0	0	107.8	K236 S240	K236-T238 PolarHBondContact O-N 3.34Å; T238-S240 PolarHBondContact O-N 2.98Å
239	N	23	Very low	31.9	Very low	161 Å²	161	139 Å²	139	86%	0.861	71%	0.705	S	S	*	*			trans	-69.5	83.6	168	-80.4	-22.7	0	0	0	107.8	R237	R237-N239 PolarHBondContact O-N 2.96Å
240	S	22.5	Very low	30.1	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	73%	0.726	S	S	*	*			trans	-125.5	68.4	167.5	65.7	0	0	0	0	108.5	T238	T238-S240 PolarHBondContact O-N 2.98Å
241	T	24.9	Very low	27.8	Very low	135 Å²	135	147.8 Å²	147.8	83%	0.828	76%	0.758	S	S	*	*			trans	-123.1	112	159.4	-9	0	0	0	0	107	R243	T241-R243 PolarHBondContact O-N 3.23Å
242	F	23.7	Very low	26.4	Very low	210 Å²	210	152.6 Å²	152.6	92%	0.921	78%	0.782	S	S	*	*			trans	-45.5	124.3	177.4	-97.7	-114.1	0	0	0	110.9	E244	F242-E244 PolarHBondContact O-N 2.99Å
243	R	22	Very low	25.4	Very low	240 Å²	240	152.3 Å²	152.3	91%	0.906	79%	0.787	S	S	*	*			trans	-85.6	95.3	176.3	-168.6	177	-170.9	170.1	1.4	107.7	T241	T241-R243 PolarHBondContact O-N 3.23Å
244	E	23.2	Very low	24.3	Very low	188 Å²	188	153.8 Å²	153.8	88%	0.879	80%	0.8	S	S	*	*			trans	-77.2	118.7	160.5	-89.4	-177.7	163.2	0	0	108.9	F242	F242-E244 PolarHBondContact O-N 2.99Å
245	S	22.8	Very low	24.2	Very low	98 Å²	98	154.6 Å²	154.6	69%	0.685	80%	0.803	S	S	*	*			trans	-68.2	119.2	175.5	49.7	0	0	0	0	110.9
246	Q	25.5	Very low	23.9	Very low	198 Å²	198	155.2 Å²	155.2	93%	0.925	80%	0.803	S	S	*	*			trans	-124.5	110.6	149.5	-72.6	-151.3	-16.9	0	0	109.5
247	I	21.9	Very low	23.9	Very low	146 Å²	146	154.5 Å²	154.5	75%	0.749	80%	0.8	S	S	*	*			trans	-76	125.3	171.5	-65.4	163.1	0	0	0	106.4
248	S	26.4	Very low	23.9	Very low	118 Å²	118	149 Å²	149	83%	0.825	79%	0.794	S	S	*	*			trans	-143.7	107.8	154	-143	0	0	0	0	109
249	N	22	Very low	24.1	Very low	139 Å²	139	151 Å²	151	74%	0.743	80%	0.8	S	S	*	*			trans	-71.1	122.2	173.3	-69.7	-39.2	0	0	0	108.5
250	Q	27.6	Very low	24	Very low	192 Å²	192	152.6 Å²	152.6	90%	0.897	80%	0.799	S	S	*	*			trans	-131.1	100.1	152	-81.7	-169.7	1	0	0	108.8
251	V	22.2	Very low	24.2	Very low	121 Å²	121	155.8 Å²	155.8	73%	0.733	81%	0.809	S	S	*	*			trans	-67.2	126.9	155.9	175.8	0	0	0	0	106.1
252	D	25.4	Very low	24.1	Very low	135 Å²	135	155.7 Å²	155.7	72%	0.722	81%	0.808	S	S	*	*				176.2	148.5	124.8	-101.8	-31	0	0	0	115.4
253	Q	27.9	Very low	24.2	Very low	152 Å²	152	153.4 Å²	153.4	71%	0.71	80%	0.803	S	S	*	*			trans	80.3	88.6	151	-70.5	167.7	42.9	0	0	119
254	A	21	Very low	24.1	Very low	102 Å²	102	146.1 Å²	146.1	84%	0.843	79%	0.789	S	S	*	*			trans	-60	127.6	143.3	0	0	0	0	0	110.6
255	Q	27.2	Very low	24	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	79%	0.786	S	S	*	*			trans	-137.3	127.6	159.5	-109.5	176.6	-1.1	0	0	111.1
256	T	21.2	Very low	24.1	Very low	116 Å²	116	147.3 Å²	147.3	71%	0.712	79%	0.793	S	S	*	*			trans	-77.4	168.6	-177.9	50.5	0	0	0	0	113.6
257	K	24.9	Very low	23.8	Very low	184 Å²	184	147.4 Å²	147.4	80%	0.8	79%	0.794	S	S	*	*			trans	95.2	103.2	160	-63.2	179.7	178.2	-179	0	114.4
258	S	22	Very low	23.8	Very low	95 Å²	95	145 Å²	145	66%	0.664	79%	0.79	S	S	*	*				60.3	105.6	85.1	76.7	0	0	0	0	112.6
259	D	28.1	Very low	23.5	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	79%	0.794	S	S	*	*				-171.2	143.6	122.5	-92.8	-28	0	0	0	112.3
260	K	22.3	Very low	23.5	Very low	196 Å²	196	144.1 Å²	144.1	85%	0.852	79%	0.794	S	S	*	*			trans	-69.9	133	175.9	-65.1	168.9	174.5	175.8	0	108.9
261	N	26.5	Very low	23.3	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	79%	0.785	S	S	*	*			trans	-154.2	133.6	145.2	-112.2	-21.1	0	0	0	112.5
262	V	21.7	Very low	23.3	Very low	134 Å²	134	142.9 Å²	142.9	81%	0.812	79%	0.792	S	S	*	*			trans	-81.6	118.2	178.9	171.1	0	0	0	0	107.8
263	I	25.7	Very low	23.1	Very low	162 Å²	162	142.4 Å²	142.4	83%	0.831	79%	0.794	S	S	*	*			trans	-137	115.7	157.7	-60.3	-177.8	0	0	0	108
264	S	20.5	Very low	22.9	Very low	86 Å²	86	141.2 Å²	141.2	60%	0.601	79%	0.792	S	S	*	*			trans	-73	154	168.6	47.5	0	0	0	0	112
265	N	20.6	Very low	22.9	Very low	152 Å²	152	146 Å²	146	81%	0.813	79%	0.794	S	S	*	*			trans	76.1	94.9	161	-59.2	-9	0	0	0	117.2
266	L	25.3	Very low	22.7	Very low	160 Å²	160	144.3 Å²	144.3	84%	0.838	79%	0.786	S	S	*	*			trans	-148	107.3	137.1	-145.7	73.7	0	0	0	110	S268	L266-S268 PolarHBondContact O-N 3.15Å
267	E	19.6	Very low	22.9	Very low	200 Å²	200	143.9 Å²	143.9	94%	0.935	78%	0.783	S	S	*	*			trans	-57	116	163.2	-66.3	172.8	151.1	0	0	108.1
268	S	22.7	Very low	23.2	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	79%	0.785	S	S	*	*			trans	-132.1	106.8	164.9	42.6	0	0	0	0	108	L266 S270	L266-S268 PolarHBondContact O-N 3.15Å; S268-S270 PolarHBondContact O-N 3.04Å
269	S	19.4	Very low	23.6	Very low	132 Å²	132	145.5 Å²	145.5	92%	0.923	79%	0.788	S	S	*	*			trans	-45.3	97.8	162.1	38	0	0	0	0	110.1
270	S	22.1	Very low	24.2	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	76%	0.761	S	S	*	*			trans	-106.8	117.1	163.1	57.6	0	0	0	0	107.9	S268 Q272	S268-S270 PolarHBondContact O-N 3.04Å; S270-Q272 PolarHBondContact O-N 3.45Å
271	S	22.9	Very low	25.5	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	72%	0.724	S	S	*	*			trans	-24.7	119.5	171.8	53.2	0	0	0	0	113.5	V273	S271-V273 VanDerWaalsContact C-N 3.31Å; S271-V273 PolarHBondContact O-N 3.28Å
272	Q	22	Very low	26.9	Very low	185 Å²	185	123.3 Å²	123.3	86%	0.864	69%	0.687	S	S	*	*			trans	-54	100.2	157.9	-80.7	176.3	-48.4	0	0	107.8	S270 D274	S270-Q272 PolarHBondContact O-N 3.45Å; Q272-D274 PolarHBondContact O-N 3.44Å; Q272-D274 VanDerWaalsContact O-N 3.14Å
273	V	22.3	Very low	28.7	Very low	126 Å²	126	116.9 Å²	116.9	76%	0.764	65%	0.649	S	S	*	*			trans	-71.2	103.6	159.9	176.4	0	0	0	0	104.4	S271 K275	S271-V273 VanDerWaalsContact C-N 3.31Å; S271-V273 PolarHBondContact O-N 3.28Å; V273-K275 PolarHBondContact O-N 3.06Å
274	D	22.3	Very low	30.3	Very low	126 Å²	126	110 Å²	110	67%	0.674	61%	0.614	S	S	*	*			trans	-45	105.7	174.6	-73.3	-41.7	0	0	0	109.3	Q272 Q276	Q272-D274 PolarHBondContact O-N 3.44Å; Q272-D274 VanDerWaalsContact O-N 3.14Å; D274-Q276 HydrophobicContact CB-CG 4.14Å; D274-Q276 PolarHBondContact O-N 3.14Å
275	K	21.6	Very low	31.9	Very low	203 Å²	203	107 Å²	107	88%	0.883	59%	0.592	S	S	*	*			trans	-67.5	78.6	157.1	-85.2	-178.2	174.8	177.3	0	105.6	V273 T277	V273-K275 PolarHBondContact O-N 3.06Å; K275-T277 PolarHBondContact O-N 3.49Å
276	Q	22.8	Very low	33.9	Very low	144 Å²	144	100 Å²	100	67%	0.673	55%	0.554	S	S	*	*			trans	-60.7	97.5	165.7	-77.1	-174	-10.5	0	0	106.3	D274 N278	D274-Q276 HydrophobicContact CB-CG 4.14Å; D274-Q276 PolarHBondContact O-N 3.14Å; Q276-N278 PolarHBondContact O-N 3.39Å
277	T	26.3	Very low	35.6	Very low	108 Å²	108	93.4 Å²	93.4	66%	0.663	52%	0.519	S	S	*	.			trans	-52.2	129	167.8	41.8	0	0	0	0	107	K275 E279	K275-T277 PolarHBondContact O-N 3.49Å; T277-E279 PolarHBondContact O-N 2.64Å
278	N	29.6	Very low	37.4	Very low	155 Å²	155	86.7 Å²	86.7	83%	0.829	49%	0.49	S	S	*	.			trans	-77.2	52.4	-169.9	-143.8	15.9	0	0	0	109.8	Q276 G280	Q276-N278 PolarHBondContact O-N 3.39Å; N278-G280 PolarHBondContact O-N 3.25Å
279	E	31.6	Very low	38.9	Very low	158 Å²	158	82.6 Å²	82.6	74%	0.738	46%	0.461	S	S	*	.			trans	-65.8	108.5	-178.7	-65	-158.7	178.6	0	0	108.5	T277 G281	T277-E279 PolarHBondContact O-N 2.64Å; E279-G281 PolarHBondContact O-N 2.75Å
280	G	39.4	Very low	40.6	Very low	28 Å²	28	76.6 Å²	76.6	29%	0.289	42%	0.418	S	S	.	.			trans	-57.2	133.7	-178.7	0	0	0	0	0	110.2	N278 N285	N278-G280 PolarHBondContact O-N 3.25Å; G280-N285 WeakPolarHBondContact CA-OD1 3.42Å; G280-N285 PolarHBondContact O-ND2 3.47Å; G280-N285 PolarHBondContact O-OD1 3.24Å
281	G	50.9	Low	41.9	Very low	9 Å²	9	75.3 Å²	75.3	9%	0.093	41%	0.406	C	S	.	.			trans	-59.2	162.9	171.9	0	0	0	0	0	112.2	R229 E279 L283 T284 N285	R229-G281 CarbonylContact O-C 3.59Å; R229-G281 WeakPolarHBondContact O-CA 3.37Å; E279-G281 PolarHBondContact O-N 2.75Å; G281-L283 VanDerWaalsContact C-N 3.29Å; G281-L283 PolarHBondContact O-N 3.18Å; G281-T284 PolarHBondContact N-OG1 3.45Å; G281-T284 WeakPolarHBondContact O-CA 3.27Å; G281-T284 WeakPolarHBondContact O-CB 3.49Å; G281-T284 PolarHBondContact O-N 3.16Å; G281-N285 PolarHBondContact O-N 3.45Å
282	L	56.2	Low	42.6	Very low	18 Å²	18	74.5 Å²	74.5	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-52.6	-45.8	-179	-165.9	59.1	0	0	0	112.7	R98 I101 L228 N285 V286 G393 L395 V643	R98-L282 HydrophobicContact CG-CD2 4.09Å; I101-L282 HydrophobicContact CD1-CD2 3.45Å; I101-L282 VanDerWaalsContact CD1-CD2 3.45Å; I101-L282 HydrophobicContact CD1-CG 3.72Å; L228-L282 HydrophobicContact CD2-CB 4.38Å; L228-L282 HydrophobicContact CD2-CD2 3.8Å; L228-L282 HydrophobicContact CD2-CG 4.46Å; L282-N285 PolarHBondContact O-N 3.2Å; L282-V286 WeakPolarHBondContact O-CB 3.45Å; L282-V286 WeakPolarHBondContact O-CG2 3.45Å; L282-V286 PolarHBondContact O-N 2.99Å; L282-G393 WeakPolarHBondContact CD2-O 3.2Å; L282-L395 HydrophobicContact CD1-CD1 3.69Å; L282-L395 HydrophobicContact CD1-CG 3.68Å; L282-V643 HydrophobicContact CD1-CB 4.41Å; L282-V643 HydrophobicContact CD1-CG1 3.54Å; L282-V643 HydrophobicContact CD2-CG1 3.93Å; L282-V643 HydrophobicContact CG-CG1 4.06Å
283	L	58.9	Low	43.2	Very low	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-72.1	-33.5	175.4	-64.7	172.4	0	0	0	112.1	I93 I101 V180 L223 L228 R229 L230 G281 N285 V286 I287	I93-L283 HydrophobicContact CD1-CD2 3.7Å; I93-L283 HydrophobicContact CG2-CD2 3.94Å; I101-L283 HydrophobicContact CG2-CD2 4.19Å; V180-L283 HydrophobicContact CG2-CD1 3.98Å; L223-L283 HydrophobicContact CD2-CD1 3.74Å; L228-L283 HydrophobicContact CB-CD1 3.81Å; L228-L283 HydrophobicContact CB-CG 4Å; L228-L283 HydrophobicContact CD1-CD1 3.89Å; L228-L283 HydrophobicContact CD1-CD2 4.32Å; L228-L283 HydrophobicContact CD1-CG 4.17Å; L228-L283 HydrophobicContact CD2-CG 4.35Å; L228-L283 HydrophobicContact CG-CD1 4.39Å; L228-L283 HydrophobicContact CG-CG 4.41Å; R229-L283 WeakPolarHBondContact O-CB 3.45Å; R229-L283 PolarHBondContact O-N 3.45Å; L230-L283 HydrophobicContact CD2-CB 3.88Å; L230-L283 HydrophobicContact CD2-CD1 3.9Å; L230-L283 HydrophobicContact CG-CD1 4.18Å; G281-L283 VanDerWaalsContact C-N 3.29Å; G281-L283 PolarHBondContact O-N 3.18Å; L283-N285 VanDerWaalsContact C-N 3.27Å; L283-N285 PolarHBondContact O-N 2.68Å; L283-V286 PolarHBondContact O-N 2.94Å; L283-I287 HydrophobicContact CB-CD1 4.36Å; L283-I287 WeakPolarHBondContact O-CB 3.26Å; L283-I287 WeakPolarHBondContact O-CD1 3.26Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 3.38Å
284	T	58.5	Low	43.4	Very low	16 Å²	16	64.6 Å²	64.6	10%	0.098	36%	0.361	C	S	.	.	H	α-helix	trans	-54	-47.7	171.3	-51.5	0	0	0	0	111.1	R229 L230 P231 G281 N288	R229-T284 PolarHBondContact O-N 2.99Å; R229-T284 PolarHBondContact O-OG1 2.69Å; L230-T284 PolarHBondContact O-OG1 2.93Å; P231-T284 WeakPolarHBondContact CA-OG1 3.32Å; P231-T284 HydrophobicContact CB-CG2 3.98Å; P231-T284 HydrophobicContact CG-CG2 3.86Å; G281-T284 PolarHBondContact N-OG1 3.45Å; G281-T284 WeakPolarHBondContact O-CA 3.27Å; G281-T284 WeakPolarHBondContact O-CB 3.49Å; G281-T284 PolarHBondContact O-N 3.16Å; T284-N288 WeakPolarHBondContact O-CB 3.48Å; T284-N288 PolarHBondContact O-N 2.86Å; T284-N288 PolarHBondContact O-ND2 3.29Å; T284-N288 PolarHBondContact O-OD1 2.97Å
285	N	55.2	Low	43.4	Very low	25 Å²	25	63.7 Å²	63.7	13%	0.134	36%	0.355	C	S	.	.	H	α-helix	trans	-70.2	-44.7	-177	-66.2	-14.1	0	0	0	111.5	G280 G281 L282 L283 N288 T289 L395 A492	G280-N285 WeakPolarHBondContact CA-OD1 3.42Å; G280-N285 PolarHBondContact O-ND2 3.47Å; G280-N285 PolarHBondContact O-OD1 3.24Å; G281-N285 PolarHBondContact O-N 3.45Å; L282-N285 PolarHBondContact O-N 3.2Å; L283-N285 VanDerWaalsContact C-N 3.27Å; L283-N285 PolarHBondContact O-N 2.68Å; N285-N288 PolarHBondContact O-N 3.19Å; N285-T289 WeakPolarHBondContact O-CB 3.42Å; N285-T289 PolarHBondContact O-N 3.27Å; N285-T289 PolarHBondContact O-OG1 2.98Å; N285-L395 HydrophobicContact CB-CD1 3.98Å; N285-L395 WeakPolarHBondContact ND2-CD1 3.45Å; N285-A492 HydrophobicContact CB-CB 3.66Å; N285-A492 WeakPolarHBondContact ND2-CB 3.38Å
286	V	61.7	Low	43.4	Very low	5 Å²	5	63.1 Å²	63.1	3%	0.03	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-51.6	174	172.1	0	0	0	0	110.7	I93 L282 L283 N288 T289 L290 L642	I93-V286 HydrophobicContact CD1-CB 4.16Å; I93-V286 HydrophobicContact CD1-CG1 3.49Å; I93-V286 VanDerWaalsContact CD1-CG1 3.49Å; I93-V286 HydrophobicContact CG1-CG1 4.13Å; L282-V286 WeakPolarHBondContact O-CB 3.45Å; L282-V286 WeakPolarHBondContact O-CG2 3.45Å; L282-V286 PolarHBondContact O-N 2.99Å; L283-V286 PolarHBondContact O-N 2.94Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 3.42Å; V286-T289 CarbonylContact O-C 3.57Å; V286-T289 WeakPolarHBondContact O-CA 3.4Å; V286-T289 WeakPolarHBondContact O-CB 3.35Å; V286-T289 PolarHBondContact O-N 3.4Å; V286-L290 HydrophobicContact CG1-CD1 3.6Å; V286-L290 HydrophobicContact CG1-CG 4.08Å; V286-L290 WeakPolarHBondContact O-CB 3.17Å; V286-L290 WeakPolarHBondContact O-CG 3.34Å; V286-L290 PolarHBondContact O-N 2.92Å; V286-L642 HydrophobicContact CB-CD1 4.36Å; V286-L642 HydrophobicContact CG1-CB 4.24Å; V286-L642 HydrophobicContact CG1-CD1 3.28Å; V286-L642 HydrophobicContact CG1-CG 4.24Å; V286-L642 HydrophobicContact CG2-CB 3.56Å; V286-L642 HydrophobicContact CG2-CD1 4.1Å; V286-L642 HydrophobicContact CG2-CG 4.42Å
287	I	61.3	Low	43.4	Very low	20 Å²	20	61.9 Å²	61.9	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-44.5	179.1	-68.6	167.6	0	0	0	109.6	I93 V180 L230 L283 T289 L290 T291	I93-I287 HydrophobicContact CD1-CD1 4.29Å; I93-I287 HydrophobicContact CD1-CG1 3.53Å; V180-I287 HydrophobicContact CG1-CD1 4.08Å; L230-I287 HydrophobicContact CD2-CD1 3.49Å; L230-I287 VanDerWaalsContact CD2-CD1 3.49Å; L283-I287 HydrophobicContact CB-CD1 4.36Å; L283-I287 WeakPolarHBondContact O-CB 3.26Å; L283-I287 WeakPolarHBondContact O-CD1 3.26Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 3.38Å; I287-T289 VanDerWaalsContact C-N 3.3Å; I287-T289 PolarHBondContact O-N 3.5Å; I287-L290 CarbonylContact O-C 3.56Å; I287-L290 PolarHBondContact O-N 2.84Å; I287-L290 VanDerWaalsContact O-N 3.08Å; I287-T291 HydrophobicContact CG2-CG2 3.55Å; I287-T291 WeakPolarHBondContact O-CB 3.43Å; I287-T291 VanDerWaalsContact O-CG2 3.28Å; I287-T291 WeakPolarHBondContact O-CG2 3.37Å; I287-T291 PolarHBondContact O-N 3.25Å; I287-T291 PolarHBondContact O-OG1 2.85Å
288	N	57.3	Low	43.1	Very low	59 Å²	59	62.7 Å²	62.7	32%	0.316	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-39.5	175.9	-69.7	-15.5	0	0	0	112.1	T284 N285 V286 L290 T291 H292 C491	T284-N288 WeakPolarHBondContact O-CB 3.48Å; T284-N288 PolarHBondContact O-N 2.86Å; T284-N288 PolarHBondContact O-ND2 3.29Å; T284-N288 PolarHBondContact O-OD1 2.97Å; N285-N288 PolarHBondContact O-N 3.19Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 3.42Å; N288-L290 VanDerWaalsContact C-N 3.28Å; N288-L290 PolarHBondContact O-N 2.97Å; N288-T291 WeakPolarHBondContact CA-OG1 3.29Å; N288-T291 PolarHBondContact O-OG1 3.41Å; N288-H292 PolarHBondContact O-CD2 3.27Å; N288-C491 HydrophobicContact CB-CB 4.18Å
289	T	53.6	Low	42.7	Very low	9 Å²	9	62.5 Å²	62.5	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-64.4	-34.9	174.9	-57.3	0	0	0	0	111.5	N285 V286 I287 C491 H493 L591 C593 Q594	N285-T289 WeakPolarHBondContact O-CB 3.42Å; N285-T289 PolarHBondContact O-N 3.27Å; N285-T289 PolarHBondContact O-OG1 2.98Å; V286-T289 CarbonylContact O-C 3.57Å; V286-T289 WeakPolarHBondContact O-CA 3.4Å; V286-T289 WeakPolarHBondContact O-CB 3.35Å; V286-T289 PolarHBondContact O-N 3.4Å; I287-T289 VanDerWaalsContact C-N 3.3Å; I287-T289 PolarHBondContact O-N 3.5Å; T289-C491 PolarHBondContact OG1-O 3.3Å; T289-H493 HydrophobicContact CG2-CB 4.12Å; T289-L591 HydrophobicContact CG2-CD2 4.42Å; T289-C593 VanDerWaalsContact CG2-SG 3.58Å; T289-Q594 PolarHBondContact O-NE2 2.87Å
290	L	55.1	Low	42.2	Very low	6 Å²	6	63 Å²	63	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-85.2	-35.3	180	-62.7	174.4	0	0	0	113.7	I93 R105 V286 I287 N288 H292 S293	I93-L290 HydrophobicContact CD1-CD1 4.12Å; I93-L290 HydrophobicContact CG1-CD1 3.77Å; R105-L290 PolarHBondContact NH1-O 2.76Å; V286-L290 HydrophobicContact CG1-CD1 3.6Å; V286-L290 HydrophobicContact CG1-CG 4.08Å; V286-L290 WeakPolarHBondContact O-CB 3.17Å; V286-L290 WeakPolarHBondContact O-CG 3.34Å; V286-L290 PolarHBondContact O-N 2.92Å; I287-L290 CarbonylContact O-C 3.56Å; I287-L290 PolarHBondContact O-N 2.84Å; I287-L290 VanDerWaalsContact O-N 3.08Å; N288-L290 VanDerWaalsContact C-N 3.28Å; N288-L290 PolarHBondContact O-N 2.97Å; L290-H292 VanDerWaalsContact C-N 3.29Å; L290-H292 PolarHBondContact O-N 2.69Å; L290-S293 WeakPolarHBondContact O-CB 3.36Å; L290-S293 PolarHBondContact O-N 3.49Å; L290-S293 PolarHBondContact O-OG 3.05Å; L290-S293 VanDerWaalsContact O-OG 3.07Å
291	T	50.2	Low	41.4	Very low	81 Å²	81	66.1 Å²	66.1	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-73.4	-22.7	-175	49.6	0	0	0	0	112.5	I287 N288 S293	I287-T291 HydrophobicContact CG2-CG2 3.55Å; I287-T291 WeakPolarHBondContact O-CB 3.43Å; I287-T291 VanDerWaalsContact O-CG2 3.28Å; I287-T291 WeakPolarHBondContact O-CG2 3.37Å; I287-T291 PolarHBondContact O-N 3.25Å; I287-T291 PolarHBondContact O-OG1 2.85Å; N288-T291 WeakPolarHBondContact CA-OG1 3.29Å; N288-T291 PolarHBondContact O-OG1 3.41Å; T291-S293 PolarHBondContact O-N 2.83Å
292	H	37.2	Very low	39.9	Very low	84 Å²	84	71.4 Å²	71.4	39%	0.389	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.7	168.9	-70.7	-56.2	0	0	0	113.6	N288 L290 G294 T449 Q594	N288-H292 PolarHBondContact O-CD2 3.27Å; L290-H292 VanDerWaalsContact C-N 3.29Å; L290-H292 PolarHBondContact O-N 2.69Å; H292-G294 PolarHBondContact O-N 2.73Å; H292-T449 PolarHBondContact CE1-OG1 3.34Å; H292-T449 PolarHBondContact NE2-OG1 3.21Å; H292-Q594 HydrophobicContact CB-CG 4.28Å
293	S	34.9	Very low	38.3	Very low	22 Å²	22	75.3 Å²	75.3	15%	0.154	45%	0.446	C	S	.	.			trans	-83.6	98.9	174.3	-49.8	0	0	0	0	112.2	R105 L290 T291 I295 C593	R105-S293 PolarHBondContact NH1-OG 2.67Å; L290-S293 WeakPolarHBondContact O-CB 3.36Å; L290-S293 PolarHBondContact O-N 3.49Å; L290-S293 PolarHBondContact O-OG 3.05Å; L290-S293 VanDerWaalsContact O-OG 3.07Å; T291-S293 PolarHBondContact O-N 2.83Å; S293-I295 VanDerWaalsContact C-N 3.26Å; S293-I295 PolarHBondContact O-N 3.11Å; S293-C593 PolarHBondContact OG-O 3.25Å
294	G	25.7	Very low	36.4	Very low	81 Å²	81	83.7 Å²	83.7	84%	0.835	49%	0.49	S	S	*	.			trans	-85.3	47	165.3	0	0	0	0	0	113.4	H292 Q296	H292-G294 PolarHBondContact O-N 2.73Å; G294-Q296 PolarHBondContact O-N 3.29Å
295	I	24.3	Very low	34.7	Very low	107 Å²	107	88.9 Å²	88.9	55%	0.549	52%	0.524	S	S	.	.			trans	-87.9	108.8	-173.4	-59.1	175.6	0	0	0	110.2	S293 L297	S293-I295 VanDerWaalsContact C-N 3.26Å; S293-I295 PolarHBondContact O-N 3.11Å; I295-L297 HydrophobicContact CG2-CG 4.22Å; I295-L297 PolarHBondContact O-N 2.84Å
296	Q	21.5	Very low	33.1	Very low	190 Å²	190	96.8 Å²	96.8	89%	0.888	56%	0.56	S	S	*	*			trans	-74.1	109	163.3	-76.2	178	-17.7	0	0	109	G294	G294-Q296 PolarHBondContact O-N 3.29Å
297	L	22	Very low	31.1	Very low	119 Å²	119	105.4 Å²	105.4	62%	0.623	60%	0.6	S	S	*	*			trans	-87.8	117.8	166.8	-76.6	166	0	0	0	108.7	I295 N299	I295-L297 HydrophobicContact CG2-CG 4.22Å; I295-L297 PolarHBondContact O-N 2.84Å; L297-N299 PolarHBondContact O-N 2.8Å
298	T	20.6	Very low	29.3	Very low	124 Å²	124	109.2 Å²	109.2	76%	0.761	63%	0.628	S	S	*	*			trans	-58.5	119.3	173.2	49.1	0	0	0	0	110	N300	T298-N300 PolarHBondContact O-N 2.94Å; T298-N300 VanDerWaalsContact O-N 3.11Å
299	N	21.6	Very low	27.5	Very low	152 Å²	152	113.4 Å²	113.4	81%	0.813	65%	0.646	S	S	*	*			trans	-60.3	111.4	173.3	-83.5	-19.3	0	0	0	110.6	L297 S301	L297-N299 PolarHBondContact O-N 2.8Å; N299-S301 VanDerWaalsContact C-N 3.29Å; N299-S301 PolarHBondContact O-N 3.04Å
300	N	19.6	Very low	26	Very low	168 Å²	168	115.4 Å²	115.4	90%	0.898	66%	0.661	S	S	*	*			trans	-72.8	85.6	159.9	-88.6	-16.4	0	0	0	108.5	T298	T298-N300 PolarHBondContact O-N 2.94Å; T298-N300 VanDerWaalsContact O-N 3.11Å
301	S	23.1	Very low	24.4	Very low	94 Å²	94	118.1 Å²	118.1	66%	0.657	68%	0.677	S	S	*	*			trans	-108.1	98.9	161.5	49.6	0	0	0	0	108.7	N299 S303	N299-S301 VanDerWaalsContact C-N 3.29Å; N299-S301 PolarHBondContact O-N 3.04Å; S301-S303 PolarHBondContact O-N 2.97Å
302	S	19.5	Very low	23	Very low	120 Å²	120	119 Å²	119	84%	0.839	68%	0.682	S	S	*	*			trans	-40.6	113	156.5	49	0	0	0	0	112.1
303	S	22.8	Very low	22.3	Very low	99 Å²	99	124 Å²	124	69%	0.692	71%	0.706	S	S	*	*			trans	-171.9	128.1	146.7	44.5	0	0	0	0	108.5	S301 P305	S301-S303 PolarHBondContact O-N 2.97Å; S303-P305 WeakPolarHBondContact O-CD 3.29Å
304	L	18.9	Very low	21.6	Very low	176 Å²	176	125.5 Å²	125.5	92%	0.921	73%	0.725	S	S	*	*			trans	-55.8	124.1	176.4	-82.9	89.3	0	0	0	109.9
305	P	22.9	Very low	21.4	Very low	125 Å²	125	132 Å²	132	81%	0.812	73%	0.73	S	S	*	*			trans	-82.6	137.2	174.4	-6	24	0	0	0	111.3	S303 E307	S303-P305 WeakPolarHBondContact O-CD 3.29Å; P305-E307 PolarHBondContact O-N 3.36Å
306	Q	21.2	Very low	21.3	Very low	192 Å²	192	134 Å²	134	90%	0.897	74%	0.741	S	S	*	*			trans	-77	115	169.3	-75.7	178.9	-59.8	0	0	110.6
307	E	20.3	Very low	21.3	Very low	185 Å²	185	131 Å²	131	86%	0.864	74%	0.736	S	S	*	*			trans	21	117.3	140.3	-62.3	177.1	167.2	0	0	118.9	P305	P305-E307 PolarHBondContact O-N 3.36Å
308	S	22.6	Very low	21.5	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	74%	0.743	S	S	*	*				-173.2	146.1	123.7	41.4	0	0	0	0	113.1
309	E	20.5	Very low	21.7	Very low	147 Å²	147	131.1 Å²	131.1	69%	0.687	74%	0.738	S	S	*	*			trans	-88.9	135.4	-167.4	-68.4	168.5	151.8	0	0	113.9	H18	H18-E309 HydrophobicContact CB-CB 3.45Å; H18-E309 VanDerWaalsContact CB-CB 3.45Å; H18-E309 HydrophobicContact CB-CG 4.06Å
310	S	22.3	Very low	22	Very low	51 Å²	51	130.5 Å²	130.5	36%	0.357	73%	0.73	S	S	.	*			trans	-159.3	84.9	138.1	56.4	0	0	0	0	122.4	H18 E19	H18-S310 VanDerWaalsContact CB-CA 3.48Å; H18-S310 WeakPolarHBondContact ND1-CA 3.33Å; H18-S310 PolarHBondContact O-N 2.99Å; E19-S310 CarbonylContact C-O 3.44Å; E19-S310 WeakPolarHBondContact CA-O 3.36Å; E19-S310 VanDerWaalsContact CB-C 3.46Å; E19-S310 WeakPolarHBondContact CB-O 3.35Å; E19-S310 PolarHBondContact N-O 3.28Å; E19-S310 CarbonylContact O-C 3.48Å; E19-S310 WeakPolarHBondContact O-CA 3.46Å; E19-S310 PolarHBondContact O-N 3.45Å; E19-S310 PolarHBondContact O-OG 3.34Å
311	T	19.9	Very low	22.4	Very low	62 Å²	62	128 Å²	128	38%	0.38	73%	0.725	S	S	.	*			trans	-32.4	132.8	166.5	-58	0	0	0	0	117.5	V17 H18	V17-T311 PolarHBondContact O-OG1 2.81Å; H18-T311 WeakPolarHBondContact CA-OG1 3.48Å; H18-T311 WeakPolarHBondContact CB-OG1 3.06Å; H18-T311 PolarHBondContact CD2-OG1 3.19Å; H18-T311 WeakPolarHBondContact CE1-CB 3.4Å; H18-T311 PolarHBondContact CE1-OG1 3.37Å; H18-T311 VanDerWaalsContact ND1-CB 3.34Å; H18-T311 WeakPolarHBondContact ND1-CB 3.41Å; H18-T311 PolarHBondContact ND1-N 2.86Å; H18-T311 PolarHBondContact ND1-OG1 3.2Å; H18-T311 VanDerWaalsContact ND1-OG1 3.09Å; H18-T311 PolarHBondContact NE2-OG1 2.87Å
312	V	22.2	Very low	22.6	Very low	99 Å²	99	128 Å²	128	60%	0.6	72%	0.718	S	S	*	*			trans	-152.6	153.3	148.9	-171.2	0	0	0	0	108.7	E19	E19-V312 VanDerWaalsContact CD-CA 3.44Å; E19-V312 VanDerWaalsContact CD-CB 3.44Å; E19-V312 VanDerWaalsContact CD-O 3.24Å; E19-V312 WeakPolarHBondContact OE1-CA 3.36Å; E19-V312 WeakPolarHBondContact OE1-CB 3.41Å; E19-V312 PolarHBondContact OE1-N 2.89Å; E19-V312 VanDerWaalsContact OE2-CA 3.29Å; E19-V312 WeakPolarHBondContact OE2-CA 3.27Å; E19-V312 WeakPolarHBondContact OE2-CB 3.34Å; E19-V312 WeakPolarHBondContact OE2-CG2 3.37Å; E19-V312 PolarHBondContact OE2-N 3.35Å
313	Q	21.3	Very low	23.3	Very low	190 Å²	190	128.5 Å²	128.5	89%	0.888	70%	0.704	S	S	*	*			trans	-92.2	118.2	176.4	-69.9	164	-42.4	0	0	108.6
314	G	21.9	Very low	23.9	Very low	53 Å²	53	128.6 Å²	128.6	55%	0.546	69%	0.694	S	S	.	*			trans	-139.6	98.4	-178.7	0	0	0	0	0	112.4	L316	G314-L316 PolarHBondContact O-N 3.34Å
315	K	21.1	Very low	25.3	Very low	218 Å²	218	124.3 Å²	124.3	95%	0.948	68%	0.678	S	S	*	*			trans	-59.5	90.2	174	-166.2	179.7	-173.3	-179.1	0	110.2
316	L	22.1	Very low	27.2	Very low	150 Å²	150	122.2 Å²	122.2	79%	0.785	66%	0.66	S	S	*	*			trans	-100.7	113.5	179.6	-100	128.2	0	0	0	111.2	G314 I318	G314-L316 PolarHBondContact O-N 3.34Å; L316-I318 PolarHBondContact O-N 3.44Å
317	T	21.9	Very low	29.9	Very low	127 Å²	127	114.7 Å²	114.7	78%	0.779	63%	0.626	S	S	*	*			trans	-57.8	111.2	164.7	46.6	0	0	0	0	109.4	S319	T317-S319 PolarHBondContact O-N 3.28Å
318	I	24.7	Very low	32.6	Very low	151 Å²	151	106 Å²	106	77%	0.774	59%	0.585	S	S	*	*			trans	-71.3	99.1	178.7	-61.6	171.3	0	0	0	108.1	L316	L316-I318 PolarHBondContact O-N 3.44Å
319	S	25.1	Very low	35.3	Very low	94 Å²	94	102.4 Å²	102.4	66%	0.657	56%	0.558	S	S	*	*			trans	-90.3	117	-179.2	65	0	0	0	0	112.4	T317 C321	T317-S319 PolarHBondContact O-N 3.28Å; S319-C321 PolarHBondContact O-N 3.39Å
320	E	28.9	Very low	37.8	Very low	139 Å²	139	99.9 Å²	99.9	65%	0.65	55%	0.548	S	S	*	.	S	Bend	trans	67.6	-20.7	139.8	-57.1	-161.1	125.7	0	0	122.3	N322 K323	E320-N322 VanDerWaalsContact C-N 3.3Å; E320-N322 PolarHBondContact O-N 3.19Å; E320-K323 IonicContact OE1-NZ 3.18Å; E320-K323 PolarHBondContact OE1-NZ 3.28Å
321	C	26.6	Very low	39.9	Very low	115 Å²	115	98 Å²	98	78%	0.777	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.6	178.1	-161.8	0	0	0	0	113.5	S319	S319-C321 PolarHBondContact O-N 3.39Å
322	N	28.1	Very low	41.6	Very low	95 Å²	95	99 Å²	99	51%	0.508	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.7	-179.2	-72.5	-4.3	0	0	0	114.1	E320 E324 C325 D326	E320-N322 VanDerWaalsContact C-N 3.3Å; E320-N322 PolarHBondContact O-N 3.19Å; N322-E324 VanDerWaalsContact C-N 3.31Å; N322-E324 PolarHBondContact O-N 2.99Å; N322-C325 PolarHBondContact O-N 2.83Å; N322-D326 PolarHBondContact O-N 2.9Å; N322-D326 VanDerWaalsContact O-N 3.1Å
323	K	34.1	Very low	42.9	Very low	129 Å²	129	101.6 Å²	101.6	56%	0.561	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.1	-171.5	-74.6	179.9	177.2	171.2	0	112.8	E320	E320-K323 IonicContact OE1-NZ 3.18Å; E320-K323 PolarHBondContact OE1-NZ 3.28Å
324	E	36	Very low	43.6	Very low	102 Å²	102	98 Å²	98	48%	0.477	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-36.3	-177.5	-129.4	168.6	-148.5	0	0	112.2	N322 V597	N322-E324 VanDerWaalsContact C-N 3.31Å; N322-E324 PolarHBondContact O-N 2.99Å; E324-V597 HydrophobicContact CG-CG1 4.26Å; E324-V597 WeakPolarHBondContact O-CG2 3.36Å
325	C	48.6	Very low	44	Very low	86 Å²	86	104 Å²	104	58%	0.581	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-71.8	-33.5	178.4	-166.9	0	0	0	0	111.8	N322 D327 L328	N322-C325 PolarHBondContact O-N 2.83Å; C325-D327 PolarHBondContact O-N 2.94Å; C325-L328 VanDerWaalsContact O-O 3.09Å
326	D	61.4	Low	44.6	Very low	80 Å²	80	97.9 Å²	97.9	43%	0.428	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-70.7	-18.7	-175	-65.2	-27.1	0	0	0	113.4	N322 K626 R630	N322-D326 PolarHBondContact O-N 2.9Å; N322-D326 VanDerWaalsContact O-N 3.1Å; D326-K626 WeakPolarHBondContact O-CE 3.46Å; D326-K626 PolarHBondContact O-NZ 3.18Å; D326-R630 PolarHBondContact O-NH2 2.76Å; D326-R630 VanDerWaalsContact O-NH2 3.1Å
327	D	78.4	Confident	44.7	Very low	34 Å²	34	93.9 Å²	93.9	18%	0.182	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-76	-37	-173.1	-91.3	14.7	0	0	0	114.4	C325 V597 L600 H601 K626	C325-D327 PolarHBondContact O-N 2.94Å; D327-V597 HydrophobicContact CB-CG1 4.47Å; D327-L600 WeakPolarHBondContact O-CD2 3.4Å; D327-H601 IonicContact OD2-CD2 3.31Å; D327-H601 IonicContact OD2-CE1 3.5Å; D327-H601 IonicContact OD2-NE2 3.26Å; D327-H601 PolarHBondContact OD2-NE2 2.88Å; D327-K626 VanDerWaalsContact OD1-CD 3.29Å; D327-K626 WeakPolarHBondContact OD1-CD 3.46Å; D327-K626 WeakPolarHBondContact OD1-CE 3.45Å; D327-K626 IonicContact OD1-NZ 3.03Å; D327-K626 PolarHBondContact OD1-NZ 3.28Å
328	L	78	Confident	44.9	Very low	2 Å²	2	97.2 Å²	97.2	1%	0.01	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.1	173.8	178.9	68.3	0	0	0	108.4	C325 I330 L587 R596 V597 L600	C325-L328 VanDerWaalsContact O-O 3.09Å; L328-I330 HydrophobicContact CD2-CG1 4.41Å; L328-I330 HydrophobicContact CG-CG1 4.43Å; L328-I330 PolarHBondContact O-N 2.88Å; L328-L587 HydrophobicContact CD1-CD1 3.82Å; L328-L587 HydrophobicContact CD1-CG 4.39Å; L328-L587 HydrophobicContact CD2-CD1 4.16Å; L328-R596 HydrophobicContact CD2-CB 3.88Å; L328-V597 HydrophobicContact CB-CG2 3.57Å; L328-V597 HydrophobicContact CD2-CG2 4.13Å; L328-L600 HydrophobicContact CB-CD2 3.94Å; L328-L600 HydrophobicContact CD1-CD2 4.06Å
329	I	78.5	Confident	44.9	Very low	26 Å²	26	100 Å²	100	13%	0.133	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	110.9	176.4	-65.2	166.5	0	0	0	108.7	L331 Y514 R630 G631 F632 S633	I329-L331 HydrophobicContact CG2-CD2 3.58Å; I329-L331 HydrophobicContact CG2-CG 4.15Å; I329-Y514 HydrophobicContact CD1-CE1 4.25Å; I329-Y514 HydrophobicContact CD1-CE2 4.49Å; I329-Y514 WeakPolarHBondContact CD1-OH 3Å; I329-R630 HydrophobicContact CD1-CG 4.36Å; I329-G631 PolarHBondContact N-O 3.31Å; I329-F632 HydrophobicContact CB-CD1 3.8Å; I329-F632 HydrophobicContact CB-CE1 4.23Å; I329-F632 HydrophobicContact CD1-CD1 3.92Å; I329-F632 HydrophobicContact CD1-CE1 3.44Å; I329-F632 VanDerWaalsContact CD1-CE1 3.44Å; I329-F632 HydrophobicContact CD1-CZ 4.22Å; I329-F632 HydrophobicContact CG1-CD1 4.42Å; I329-F632 HydrophobicContact CG1-CE1 4.39Å; I329-F632 HydrophobicContact CG2-CD1 4.21Å; I329-F632 WeakPolarHBondContact O-CA 3.42Å; I329-S633 PolarHBondContact O-N 2.93Å
330	I	73.4	Confident	44.8	Very low	94 Å²	94	103.9 Å²	103.9	48%	0.482	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.1	172.8	-56.2	175.2	0	0	0	108.2	L328 S332	L328-I330 HydrophobicContact CD2-CG1 4.41Å; L328-I330 HydrophobicContact CG-CG1 4.43Å; L328-I330 PolarHBondContact O-N 2.88Å; I330-S332 PolarHBondContact O-N 3.26Å
331	L	65.9	Low	44.6	Very low	11 Å²	11	105.1 Å²	105.1	6%	0.058	55%	0.553	C	S	.	*			trans	-98.4	90.7	-179.4	-62.8	176.2	0	0	0	109.1	I329 S633 K666 F669 Q670	I329-L331 HydrophobicContact CG2-CD2 3.58Å; I329-L331 HydrophobicContact CG2-CG 4.15Å; L331-S633 PolarHBondContact N-O 3.36Å; L331-K666 HydrophobicContact CD2-CD 4.41Å; L331-K666 HydrophobicContact CD2-CG 3.72Å; L331-F669 HydrophobicContact CD1-CB 3.22Å; L331-F669 HydrophobicContact CD1-CD2 4.43Å; L331-F669 HydrophobicContact CD1-CG 4.33Å; L331-Q670 HydrophobicContact CB-CG 3.86Å; L331-Q670 HydrophobicContact CD1-CG 3.92Å; L331-Q670 HydrophobicContact CD2-CG 3.71Å; L331-Q670 HydrophobicContact CG-CG 4.01Å
332	S	55.4	Low	44.5	Very low	83 Å²	83	106.6 Å²	106.6	58%	0.58	55%	0.553	S	S	*	*			trans	-87.4	171.5	-180	60.3	0	0	0	0	113.1	I330 E334	I330-S332 PolarHBondContact O-N 3.26Å; S332-E334 PolarHBondContact O-N 3.47Å; S332-E334 VanDerWaalsContact O-N 3.11Å
333	E	49.1	Very low	44.3	Very low	155 Å²	155	107 Å²	107	72%	0.724	57%	0.569	S	S	*	*			trans	-60.4	109	171.6	-67.1	-180	165.2	0	0	110.3
334	E	37.5	Very low	43.8	Very low	114 Å²	114	112.4 Å²	112.4	53%	0.533	59%	0.586	S	S	.	*			trans	-76.8	140.7	152.7	-71.7	177.1	-159.7	0	0	106.7	S332 T336 K666	S332-E334 PolarHBondContact O-N 3.47Å; S332-E334 VanDerWaalsContact O-N 3.11Å; E334-T336 HydrophobicContact CB-CG2 4.15Å; E334-T336 PolarHBondContact O-N 3.32Å; E334-K666 IonicContact OE1-NZ 3.95Å
335	N	29.6	Very low	43.1	Very low	180 Å²	180	113.4 Å²	113.4	96%	0.963	61%	0.605	S	S	*	*			trans	-72.6	60.8	-175.9	-137.5	33	0	0	0	109.9	G337	N335-G337 PolarHBondContact O-N 3.45Å
336	T	33.9	Very low	41.9	Very low	88 Å²	88	114.4 Å²	114.4	54%	0.54	61%	0.613	S	S	.	*			trans	-92	100.7	-179.4	55.7	0	0	0	0	108.1	E334	E334-T336 HydrophobicContact CB-CG2 4.15Å; E334-T336 PolarHBondContact O-N 3.32Å
337	G	24.8	Very low	40.1	Very low	67 Å²	67	115.9 Å²	115.9	69%	0.691	63%	0.629	S	S	*	*			trans	-57	153	162.7	0	0	0	0	0	110.7	N335	N335-G337 PolarHBondContact O-N 3.45Å
338	E	26	Very low	37.6	Very low	197 Å²	197	122.2 Å²	122.2	92%	0.921	66%	0.662	S	S	*	*			trans	77.5	68.8	163.9	-51.1	-175.2	167.1	0	0	117.5
339	W	23.4	Very low	34.9	Very low	210 Å²	210	128.2 Å²	128.2	80%	0.795	70%	0.699	S	S	*	*			trans	-147.9	79.2	142.2	-149.9	1.6	0	0	0	112
340	I	23.4	Very low	32.4	Very low	174 Å²	174	134.7 Å²	134.7	89%	0.892	73%	0.734	S	S	*	*			trans	-134.3	88.4	164.9	-55.5	178.5	0	0	0	108.1
341	Q	24.2	Very low	29.9	Very low	165 Å²	165	136 Å²	136	77%	0.771	75%	0.751	S	S	*	*			trans	-155.2	132.5	156.2	-141	167.6	11.6	0	0	108.9
342	N	24.1	Very low	27.9	Very low	147 Å²	147	138.9 Å²	138.9	79%	0.786	78%	0.784	S	S	*	*			trans	106.8	63	169.3	-49.6	-25.9	0	0	0	116.8
343	A	24.9	Very low	26.3	Very low	102 Å²	102	142.3 Å²	142.3	84%	0.843	80%	0.795	S	S	*	*			trans	-134	85.7	147.1	0	0	0	0	0	108.5
344	R	22.8	Very low	25.4	Very low	243 Å²	243	140 Å²	140	92%	0.917	79%	0.794	S	S	*	*			trans	-71.1	131.3	175.3	-78.5	-177.3	-176.9	176.6	1.6	109.9
345	S	22	Very low	24.8	Very low	124 Å²	124	143.4 Å²	143.4	87%	0.867	81%	0.81	S	S	*	*			trans	-48.1	132.8	174.8	-46.9	0	0	0	0	113.8
346	S	24.1	Very low	24.5	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	80%	0.803	S	S	*	*			trans	-122.5	105.8	158.8	55.8	0	0	0	0	108.8
347	S	23.1	Very low	24.1	Very low	111 Å²	111	146 Å²	146	78%	0.776	82%	0.819	S	S	*	*			trans	-69.1	122.4	171.6	48.4	0	0	0	0	110.9
348	L	25.2	Very low	24.2	Very low	166 Å²	166	147.4 Å²	147.4	87%	0.869	82%	0.819	S	S	*	*			trans	-127.6	109.1	160	-86.8	94.1	0	0	0	109.9
349	T	21.6	Very low	24.3	Very low	128 Å²	128	144 Å²	144	79%	0.785	82%	0.817	S	S	*	*			trans	-84.8	131.9	159.6	51.7	0	0	0	0	108.4
350	N	25.2	Very low	24.7	Very low	163 Å²	163	139.9 Å²	139.9	87%	0.872	82%	0.815	S	S	*	*				-176.7	141.6	117.9	-126.8	-6.7	0	0	0	113
351	S	22	Very low	25.1	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	81%	0.808	S	S	*	*			trans	-64.5	150.4	171.1	-68.1	0	0	0	0	113.3
352	G	23.6	Very low	25.8	Very low	72 Å²	72	136 Å²	136	74%	0.742	81%	0.808	S	S	*	*			trans	-164	104.2	160.3	0	0	0	0	0	109.1
353	N	22.2	Very low	26.8	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	81%	0.812	S	S	*	*			trans	-101.1	113.3	179	-168.1	31.6	0	0	0	108.2
354	P	29.1	Very low	27.9	Very low	107 Å²	107	137.8 Å²	137.8	70%	0.695	80%	0.799	S	S	*	*			trans	-92.1	126	168.4	3.4	16.5	0	0	0	109.3	T356	P354-T356 PolarHBondContact O-N 3.23Å
355	Q	25.3	Very low	29.2	Very low	186 Å²	186	132.4 Å²	132.4	87%	0.869	79%	0.788	S	S	*	*			trans	-66.5	126.4	170.7	-66.6	179.5	-70.7	0	0	109.7
356	T	24	Very low	30.9	Very low	133 Å²	133	131.3 Å²	131.3	82%	0.816	78%	0.781	S	S	*	*			trans	-93.8	110.5	180	-33	0	0	0	0	109	P354	P354-T356 PolarHBondContact O-N 3.23Å
357	E	25.2	Very low	32.9	Very low	188 Å²	188	129.3 Å²	129.3	88%	0.879	76%	0.761	S	S	*	*			trans	-129	105.4	163.5	-73.9	-174.8	-178.7	0	0	107.8
358	S	27.4	Very low	35.8	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	75%	0.751	S	S	*	*			trans	-156.6	121	158.8	66.1	0	0	0	0	110.4	T360	S358-T360 PolarHBondContact O-N 2.92Å
359	S	28.1	Very low	38.7	Very low	126 Å²	126	123 Å²	123	88%	0.881	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-60.6	119.2	171.8	50.1	0	0	0	0	112
360	T	30.8	Very low	42	Very low	123 Å²	123	120.2 Å²	120.2	76%	0.755	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-99.7	127	175.2	33.1	0	0	0	0	111.6	S358	S358-T360 PolarHBondContact O-N 2.92Å
361	N	32.1	Very low	45.2	Very low	141 Å²	141	112.9 Å²	112.9	75%	0.754	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-63.2	147.2	168.2	-85.7	-41.2	0	0	0	110.5	D363	N361-D363 VanDerWaalsContact C-N 3.29Å; N361-D363 PolarHBondContact O-N 3.44Å
362	P	38.9	Very low	48.7	Very low	118 Å²	118	113.1 Å²	113.1	77%	0.766	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-75.7	-9.7	-169.2	-12.2	28.5	0	0	0	115.2
363	D	44.9	Very low	52	Low	164 Å²	164	109.8 Å²	109.8	88%	0.877	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-88.7	0.2	-172	-113.5	-8.8	0	0	0	114.6	N361	N361-D363 VanDerWaalsContact C-N 3.29Å; N361-D363 PolarHBondContact O-N 3.44Å
364	E	48.6	Very low	55.2	Low	122 Å²	122	107.4 Å²	107.4	57%	0.57	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-100.8	1.2	177	-85.7	-153.9	146.4	0	0	115	S366	E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 3.26Å
365	D	50.9	Low	58.1	Low	129 Å²	129	106 Å²	106	69%	0.69	60%	0.601	S	S	*	*			trans	-76.7	-9.7	-171	-159	31.9	0	0	0	114.5	M367 N384	D365-M367 PolarHBondContact O-N 3.38Å; D365-N384 PolarHBondContact O-ND2 3.11Å
366	S	57.5	Low	61.3	Low	101 Å²	101	97.5 Å²	97.5	71%	0.706	56%	0.563	S	S	*	*	S	Bend	trans	-75.6	77	166.6	159.4	0	0	0	0	109.3	E364 K368	E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 3.26Å; S366-K368 PolarHBondContact O-N 2.95Å
367	M	66.1	Low	64.5	Low	66 Å²	66	97 Å²	97	33%	0.325	56%	0.559	S	S	.	*			trans	-66.9	81	178.6	-126.4	-161.4	-96.7	0	0	110.5	D365 T383 N384 I387 R697	D365-M367 PolarHBondContact O-N 3.38Å; M367-T383 CarbonylContact O-C 3.55Å; M367-T383 WeakPolarHBondContact O-CA 3.42Å; M367-N384 HydrophobicContact CB-CB 4.3Å; M367-N384 WeakPolarHBondContact CB-ND2 3.22Å; M367-N384 WeakPolarHBondContact CB-OD1 3.32Å; M367-N384 PolarHBondContact O-N 2.92Å; M367-N384 PolarHBondContact SD-OD1 2.79Å; M367-I387 HydrophobicContact SD-CD1 3.93Å; M367-R697 VanDerWaalsContact CG-CZ 3.44Å
368	K	82.2	Confident	67.7	Low	130 Å²	130	92 Å²	92	57%	0.565	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.5	172.6	-178.7	-175.9	-179.9	-174.6	0	107.5	S366 T381 I382 T383	S366-K368 PolarHBondContact O-N 2.95Å; K368-T381 HydrophobicContact CD-CG2 4.16Å; K368-T381 HydrophobicContact CG-CG2 3.79Å; K368-I382 WeakPolarHBondContact CA-O 3.42Å; K368-T383 HydrophobicContact CG-CG2 4.43Å
369	F	86.1	Confident	70.9	Confident	15 Å²	15	90.2 Å²	90.2	7%	0.066	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147	172.4	93	-86	0	0	0	111.6	Y371 I382 L693 R697	F369-Y371 HydrophobicContact CE2-CD2 4.44Å; F369-Y371 HydrophobicContact CE2-CG 4.47Å; F369-I382 HydrophobicContact CD1-CB 4.06Å; F369-I382 HydrophobicContact CE1-CB 3.77Å; F369-I382 HydrophobicContact CE1-CG1 4.2Å; F369-I382 HydrophobicContact CE1-CG2 4.09Å; F369-I382 HydrophobicContact CZ-CB 4.44Å; F369-I382 HydrophobicContact CZ-CG1 4.39Å; F369-I382 PolarHBondContact N-O 3.45Å; F369-I382 PolarHBondContact O-N 3.01Å; F369-L693 HydrophobicContact CE1-CD2 3.84Å; F369-L693 HydrophobicContact CZ-CD2 3.78Å; F369-R697 HydrophobicContact CB-CG 4.42Å; F369-R697 HydrophobicContact CD1-CB 4.37Å; F369-R697 HydrophobicContact CG-CB 4.42Å; F369-R697 HydrophobicContact CG-CG 4.43Å
370	D	91.5	Very high	74.1	Confident	68 Å²	68	85.4 Å²	85.4	36%	0.364	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111	177.6	-65.7	-33	0	0	0	109.8	K372 T381	D370-K372 PolarHBondContact O-N 2.87Å; D370-T381 WeakPolarHBondContact OD1-CA 3.44Å; D370-T381 VanDerWaalsContact OD1-CB 3.25Å; D370-T381 WeakPolarHBondContact OD1-CB 3.3Å; D370-T381 WeakPolarHBondContact OD1-CG2 3.34Å; D370-T381 PolarHBondContact OD1-OG1 3.35Å
371	Y	93.8	Very high	77.1	Confident	10 Å²	10	82.3 Å²	82.3	4%	0.039	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.8	173.2	177.3	-119.3	0	0	0	110.6	F369 P373 S379 I380 F403 K406 Y407 E411 L696	F369-Y371 HydrophobicContact CE2-CD2 4.44Å; F369-Y371 HydrophobicContact CE2-CG 4.47Å; Y371-P373 HydrophobicContact CD1-CG 4.41Å; Y371-P373 HydrophobicContact CE1-CB 4.26Å; Y371-P373 HydrophobicContact CE1-CG 3.68Å; Y371-P373 HydrophobicContact CE2-CB 4.2Å; Y371-P373 HydrophobicContact CE2-CG 4.41Å; Y371-P373 WeakPolarHBondContact OH-CB 3.34Å; Y371-S379 CarbonylContact O-C 3.35Å; Y371-S379 VanDerWaalsContact O-CA 3.29Å; Y371-S379 WeakPolarHBondContact O-CA 3.36Å; Y371-I380 PolarHBondContact N-O 2.91Å; Y371-I380 PolarHBondContact O-N 3.47Å; Y371-F403 AromaticContact CD1-CD2 3.4Å; Y371-F403 HydrophobicContact CD1-CD2 3.4Å; Y371-F403 AromaticContact CD1-CE2 3.74Å; Y371-F403 HydrophobicContact CD1-CE2 3.74Å; Y371-F403 HydrophobicContact CD2-CE2 4.16Å; Y371-F403 AromaticContact CE1-CD2 3.78Å; Y371-F403 HydrophobicContact CE1-CD2 3.78Å; Y371-F403 AromaticContact CE1-CE2 3.84Å; Y371-F403 HydrophobicContact CE1-CE2 3.84Å; Y371-F403 HydrophobicContact CE2-CE2 4.3Å; Y371-F403 AromaticContact CG-CD2 3.81Å; Y371-F403 HydrophobicContact CG-CD2 3.81Å; Y371-F403 AromaticContact CG-CE2 3.88Å; Y371-F403 HydrophobicContact CG-CE2 3.88Å; Y371-K406 HydrophobicContact CE1-CB 4.45Å; Y371-Y407 WeakPolarHBondContact OH-CA 3.5Å; Y371-E411 WeakPolarHBondContact CE2-OE1 3.46Å; Y371-E411 PolarHBondContact OH-OE1 3.31Å; Y371-L696 HydrophobicContact CD2-CD1 4.11Å; Y371-L696 HydrophobicContact CE2-CD1 3.73Å; Y371-L696 HydrophobicContact CE2-CD2 4.26Å
372	K	94.1	Very high	80.1	Confident	124 Å²	124	75.6 Å²	75.6	54%	0.539	44%	0.436	S	S	.	.			trans	-125	96.7	171.4	-173.4	171.5	-177.9	176.5	0	109.6	D370 S376 T377	D370-K372 PolarHBondContact O-N 2.87Å; K372-S376 WeakPolarHBondContact CE-O 3.26Å; K372-T377 PolarHBondContact NZ-O 3.39Å
373	P	92.5	Very high	82.7	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.013	41%	0.413	C	S	.	.			trans	-66.6	151	178	18.2	-22.2	0	0	0	111.8	Y371 G375 S376 K406 F410 E411	Y371-P373 HydrophobicContact CD1-CG 4.41Å; Y371-P373 HydrophobicContact CE1-CB 4.26Å; Y371-P373 HydrophobicContact CE1-CG 3.68Å; Y371-P373 HydrophobicContact CE2-CB 4.2Å; Y371-P373 HydrophobicContact CE2-CG 4.41Å; Y371-P373 WeakPolarHBondContact OH-CB 3.34Å; P373-G375 PolarHBondContact O-N 3.36Å; P373-S376 WeakPolarHBondContact O-CB 3.35Å; P373-S376 PolarHBondContact O-N 3.34Å; P373-K406 HydrophobicContact CG-CD 4.18Å; P373-K406 HydrophobicContact CG-CG 3.87Å; P373-F410 HydrophobicContact CB-CB 3.55Å; P373-F410 HydrophobicContact CB-CD2 4.39Å; P373-F410 HydrophobicContact CB-CG 4Å; P373-F410 HydrophobicContact CG-CB 3.78Å; P373-F410 HydrophobicContact CG-CD2 3.67Å; P373-F410 HydrophobicContact CG-CE2 4.46Å; P373-F410 HydrophobicContact CG-CG 3.78Å; P373-E411 HydrophobicContact CB-CG 4.37Å
374	P	89.9	Confident	84.9	Confident	105 Å²	105	67 Å²	67	68%	0.682	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	133.9	174.4	-26.8	35.1	0	0	0	112.7	S376 F410	P374-S376 VanDerWaalsContact C-N 3.29Å; P374-S376 PolarHBondContact O-N 3.4Å; P374-F410 WeakPolarHBondContact O-CD1 3.22Å
375	G	89.6	Confident	86.8	Confident	77 Å²	77	66.3 Å²	66.3	79%	0.794	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-9	-176.9	0	0	0	0	0	115	P373 F410	P373-G375 PolarHBondContact O-N 3.36Å; G375-F410 VanDerWaalsContact C-CE1 3.48Å
376	S	93.5	Very high	88.8	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.063	36%	0.358	C	S	.	.			trans	-79.4	139.2	174.3	177.7	0	0	0	0	112.3	K372 P373 P374 D378 K406 F410	K372-S376 WeakPolarHBondContact CE-O 3.26Å; P373-S376 WeakPolarHBondContact O-CB 3.35Å; P373-S376 PolarHBondContact O-N 3.34Å; P374-S376 VanDerWaalsContact C-N 3.29Å; P374-S376 PolarHBondContact O-N 3.4Å; S376-D378 PolarHBondContact OG-N 3.18Å; S376-D378 PolarHBondContact OG-O 3.04Å; S376-D378 PolarHBondContact OG-OD1 3.17Å; S376-K406 WeakPolarHBondContact OG-CE 3.35Å; S376-K406 PolarHBondContact OG-NZ 2.75Å; S376-F410 VanDerWaalsContact CA-CE1 3.49Å
377	T	90.6	Very high	90.4	Very high	121 Å²	121	57.6 Å²	57.6	74%	0.742	33%	0.331	S	S	*	.	S	Bend	trans	-76.3	-34.2	175.3	48.7	0	0	0	0	113	K372	K372-T377 PolarHBondContact NZ-O 3.39Å
378	D	92.7	Very high	91.4	Very high	85 Å²	85	60.6 Å²	60.6	46%	0.455	34%	0.344	S	S	.	.	S	Bend	trans	-115.8	167.9	-173.9	62.7	-58.6	0	0	0	111.4	S376 K406	S376-D378 PolarHBondContact OG-N 3.18Å; S376-D378 PolarHBondContact OG-O 3.04Å; S376-D378 PolarHBondContact OG-OD1 3.17Å; D378-K406 VanDerWaalsContact C-NZ 3.31Å; D378-K406 PolarHBondContact O-NZ 2.82Å; D378-K406 IonicContact OD1-NZ 3.34Å; D378-K406 PolarHBondContact OD1-NZ 3.04Å; D378-K406 IonicContact OD2-NZ 3.77Å; D378-K406 PolarHBondContact OD2-NZ 3.24Å
379	S	94.5	Very high	91.7	Very high	58 Å²	58	55 Å²	55	41%	0.406	32%	0.321	S	S	.	.			trans	-118.1	160.7	175.3	56.8	0	0	0	0	111.1	Y371	Y371-S379 CarbonylContact O-C 3.35Å; Y371-S379 VanDerWaalsContact O-CA 3.29Å; Y371-S379 WeakPolarHBondContact O-CA 3.36Å
380	I	94.8	Very high	91.8	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.128	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.5	169.9	-60.3	170.6	0	0	0	107.6	Y371 I382 N402 K406	Y371-I380 PolarHBondContact N-O 2.91Å; Y371-I380 PolarHBondContact O-N 3.47Å; I380-I382 HydrophobicContact CG2-CD1 3.7Å; I380-I382 HydrophobicContact CG2-CG1 4.36Å; I380-N402 VanDerWaalsContact CD1-C 3.46Å; I380-N402 HydrophobicContact CD1-CB 3.77Å; I380-N402 WeakPolarHBondContact CD1-O 3.41Å; I380-K406 HydrophobicContact CD1-CB 4.01Å; I380-K406 HydrophobicContact CD1-CD 3.48Å; I380-K406 VanDerWaalsContact CD1-CD 3.48Å; I380-K406 HydrophobicContact CD1-CG 4.4Å; I380-K406 HydrophobicContact CG1-CD 4.01Å
381	T	94.9	Very high	91.3	Very high	59 Å²	59	53.8 Å²	53.8	36%	0.362	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.6	172.2	-58.2	0	0	0	0	109.4	K368 D370 T383	K368-T381 HydrophobicContact CD-CG2 4.16Å; K368-T381 HydrophobicContact CG-CG2 3.79Å; D370-T381 WeakPolarHBondContact OD1-CA 3.44Å; D370-T381 VanDerWaalsContact OD1-CB 3.25Å; D370-T381 WeakPolarHBondContact OD1-CB 3.3Å; D370-T381 WeakPolarHBondContact OD1-CG2 3.34Å; D370-T381 PolarHBondContact OD1-OG1 3.35Å; T381-T383 HydrophobicContact CG2-CG2 4.46Å
382	I	95.1	Very high	90.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	175.5	-57	-60.9	0	0	0	108.7	K368 F369 I380 D386 I387 A399 I400 F403 L693	K368-I382 WeakPolarHBondContact CA-O 3.42Å; F369-I382 HydrophobicContact CD1-CB 4.06Å; F369-I382 HydrophobicContact CE1-CB 3.77Å; F369-I382 HydrophobicContact CE1-CG1 4.2Å; F369-I382 HydrophobicContact CE1-CG2 4.09Å; F369-I382 HydrophobicContact CZ-CB 4.44Å; F369-I382 HydrophobicContact CZ-CG1 4.39Å; F369-I382 PolarHBondContact N-O 3.45Å; F369-I382 PolarHBondContact O-N 3.01Å; I380-I382 HydrophobicContact CG2-CD1 3.7Å; I380-I382 HydrophobicContact CG2-CG1 4.36Å; I382-D386 HydrophobicContact CG2-CB 4.14Å; I382-I387 HydrophobicContact CG2-CD1 4.26Å; I382-I387 HydrophobicContact CG2-CG1 3.82Å; I382-A399 HydrophobicContact CD1-CB 4.06Å; I382-I400 HydrophobicContact CD1-CD1 4.44Å; I382-I400 HydrophobicContact CG2-CD1 4.36Å; I382-F403 HydrophobicContact CD1-CB 3.89Å; I382-F403 HydrophobicContact CD1-CG 4.49Å; I382-L693 HydrophobicContact CG1-CD2 4.36Å; I382-L693 HydrophobicContact CG2-CD2 4.29Å
383	T	93.5	Very high	89	Confident	46 Å²	46	52.8 Å²	52.8	28%	0.282	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	165.9	178.3	68.4	0	0	0	0	111.4	M367 K368 T381 N385 D386 I387	M367-T383 CarbonylContact O-C 3.55Å; M367-T383 WeakPolarHBondContact O-CA 3.42Å; K368-T383 HydrophobicContact CG-CG2 4.43Å; T381-T383 HydrophobicContact CG2-CG2 4.46Å; T383-N385 PolarHBondContact O-N 3.22Å; T383-D386 WeakPolarHBondContact CB-OD2 3.44Å; T383-D386 PolarHBondContact N-OD2 2.95Å; T383-D386 WeakPolarHBondContact O-CB 3.47Å; T383-D386 PolarHBondContact O-N 3.19Å; T383-D386 VanDerWaalsContact OG1-CG 3.29Å; T383-D386 PolarHBondContact OG1-N 2.9Å; T383-D386 PolarHBondContact OG1-OD2 3.45Å; T383-I387 WeakPolarHBondContact O-CG1 3.41Å; T383-I387 PolarHBondContact O-N 3.01Å; T383-I387 VanDerWaalsContact O-N 3.11Å
384	N	89.8	Confident	88.2	Confident	55 Å²	55	53.8 Å²	53.8	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-49.1	-47.2	169.3	-94.5	-28.1	0	0	0	112.5	D365 M367 D386 I387 E388	D365-N384 PolarHBondContact O-ND2 3.11Å; M367-N384 HydrophobicContact CB-CB 4.3Å; M367-N384 WeakPolarHBondContact CB-ND2 3.22Å; M367-N384 WeakPolarHBondContact CB-OD1 3.32Å; M367-N384 PolarHBondContact O-N 2.92Å; M367-N384 PolarHBondContact SD-OD1 2.79Å; N384-D386 PolarHBondContact O-N 3.46Å; N384-I387 PolarHBondContact O-N 2.87Å; N384-E388 WeakPolarHBondContact O-CG 3.36Å; N384-E388 PolarHBondContact O-N 2.79Å
385	N	89	Confident	87.8	Confident	108 Å²	108	50.3 Å²	50.3	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-60.1	-32	179.5	-177.4	81.7	0	0	0	112.2	T383	T383-N385 PolarHBondContact O-N 3.22Å
386	D	94	Very high	87.9	Confident	22 Å²	22	46.9 Å²	46.9	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-71.3	-41.2	174	-57	-55	0	0	0	111.9	I382 T383 N384 E388 C389 N397 A399 I400	I382-D386 HydrophobicContact CG2-CB 4.14Å; T383-D386 WeakPolarHBondContact CB-OD2 3.44Å; T383-D386 PolarHBondContact N-OD2 2.95Å; T383-D386 WeakPolarHBondContact O-CB 3.47Å; T383-D386 PolarHBondContact O-N 3.19Å; T383-D386 VanDerWaalsContact OG1-CG 3.29Å; T383-D386 PolarHBondContact OG1-N 2.9Å; T383-D386 PolarHBondContact OG1-OD2 3.45Å; N384-D386 PolarHBondContact O-N 3.46Å; D386-E388 VanDerWaalsContact C-N 3.28Å; D386-E388 PolarHBondContact O-N 2.85Å; D386-C389 PolarHBondContact O-N 3.49Å; D386-C389 PolarHBondContact O-SG 3.33Å; D386-N397 WeakPolarHBondContact CA-ND2 3.47Å; D386-N397 PolarHBondContact OD1-ND2 3.36Å; D386-A399 HydrophobicContact CB-CB 4.04Å; D386-A399 WeakPolarHBondContact OD1-CB 3.37Å; D386-I400 HydrophobicContact CB-CD1 4.11Å; D386-I400 HydrophobicContact CB-CG1 4.33Å; D386-I400 WeakPolarHBondContact O-CG1 3.38Å
387	I	91.1	Very high	87.8	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-34.8	179.4	-62.3	170.3	0	0	0	110.8	M367 I382 T383 N384 C389 L390 L693	M367-I387 HydrophobicContact SD-CD1 3.93Å; I382-I387 HydrophobicContact CG2-CD1 4.26Å; I382-I387 HydrophobicContact CG2-CG1 3.82Å; T383-I387 WeakPolarHBondContact O-CG1 3.41Å; T383-I387 PolarHBondContact O-N 3.01Å; T383-I387 VanDerWaalsContact O-N 3.11Å; N384-I387 PolarHBondContact O-N 2.87Å; I387-C389 PolarHBondContact O-N 3.45Å; I387-C389 VanDerWaalsContact O-N 3.13Å; I387-L390 VanDerWaalsContact O-CB 3.31Å; I387-L390 WeakPolarHBondContact O-CB 3.28Å; I387-L390 PolarHBondContact O-N 3.1Å; I387-L693 HydrophobicContact CG1-CD1 4.36Å
388	E	86.9	Confident	88.1	Confident	128 Å²	128	45.4 Å²	45.4	60%	0.598	27%	0.265	S	S	*	.	H	α-helix	trans	-56.8	-28.5	178.2	-75.6	176.7	-156.3	0	0	113.3	N384 D386 L390 A391	N384-E388 WeakPolarHBondContact O-CG 3.36Å; N384-E388 PolarHBondContact O-N 2.79Å; D386-E388 VanDerWaalsContact C-N 3.28Å; D386-E388 PolarHBondContact O-N 2.85Å; E388-L390 PolarHBondContact O-N 2.58Å; E388-A391 WeakPolarHBondContact O-CB 3.32Å; E388-A391 PolarHBondContact O-N 2.99Å
389	C	87.5	Confident	88.3	Confident	13 Å²	13	42.1 Å²	42.1	9%	0.088	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.2	178.3	88.8	0	0	0	0	113.6	D386 I387 A391 A394 L395 N397 I400 R686	D386-C389 PolarHBondContact O-N 3.49Å; D386-C389 PolarHBondContact O-SG 3.33Å; I387-C389 PolarHBondContact O-N 3.45Å; I387-C389 VanDerWaalsContact O-N 3.13Å; C389-A391 VanDerWaalsContact C-N 3.26Å; C389-A394 WeakPolarHBondContact O-CB 3.48Å; C389-L395 WeakPolarHBondContact CB-O 3.47Å; C389-N397 PolarHBondContact SG-N 2.78Å; C389-I400 WeakPolarHBondContact SG-CG1 3.29Å; C389-R686 PolarHBondContact O-NH1 3.42Å
390	L	89.3	Confident	88.4	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.042	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.6	171.5	-66.5	167.2	0	0	0	112.7	I387 E388 L396 I400 R686 I689 H690 L693	I387-L390 VanDerWaalsContact O-CB 3.31Å; I387-L390 WeakPolarHBondContact O-CB 3.28Å; I387-L390 PolarHBondContact O-N 3.1Å; E388-L390 PolarHBondContact O-N 2.58Å; L390-L396 HydrophobicContact CD2-CD2 3.92Å; L390-I400 HydrophobicContact CD1-CD1 4.37Å; L390-I400 HydrophobicContact CD2-CG2 3.85Å; L390-I400 HydrophobicContact CG-CG2 4.28Å; L390-R686 WeakPolarHBondContact O-CB 3.42Å; L390-I689 HydrophobicContact CD1-CB 4.35Å; L390-I689 HydrophobicContact CD1-CG2 3.87Å; L390-I689 HydrophobicContact CD2-CB 3.85Å; L390-I689 HydrophobicContact CD2-CD1 4.34Å; L390-I689 HydrophobicContact CD2-CG2 3.72Å; L390-I689 HydrophobicContact CG-CG2 4.47Å; L390-H690 HydrophobicContact CD1-CB 4.07Å; L390-L693 HydrophobicContact CD1-CD1 3.59Å
391	A	80.8	Confident	88.6	Confident	50 Å²	50	38.2 Å²	38.2	41%	0.413	23%	0.225	S	C	.	.	S	Bend	trans	-57.6	148.3	172	0	0	0	0	0	111.2	E388 C389 G393 A394 R686	E388-A391 WeakPolarHBondContact O-CB 3.32Å; E388-A391 PolarHBondContact O-N 2.99Å; C389-A391 VanDerWaalsContact C-N 3.26Å; A391-G393 PolarHBondContact O-N 3.37Å; A391-A394 PolarHBondContact O-N 2.85Å; A391-R686 PolarHBondContact O-NH1 3.08Å; A391-R686 VanDerWaalsContact O-NH1 3.12Å
392	P	71.7	Confident	88.8	Confident	105 Å²	105	36.3 Å²	36.3	68%	0.682	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	134	174.9	-25.3	34.4	0	0	0	111.7
393	G	68.3	Low	88.9	Confident	8 Å²	8	36.3 Å²	36.3	8%	0.082	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-4.6	176.5	0	0	0	0	0	116	R98 L282 A391	R98-G393 WeakPolarHBondContact O-CA 3.44Å; L282-G393 WeakPolarHBondContact CD2-O 3.2Å; A391-G393 PolarHBondContact O-N 3.37Å
394	A	74.1	Confident	89.2	Confident	23 Å²	23	34.6 Å²	34.6	19%	0.19	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-92.2	143.8	178.2	0	0	0	0	0	112	C389 A391 R686	C389-A394 WeakPolarHBondContact O-CB 3.48Å; A391-A394 PolarHBondContact O-N 2.85Å; A394-R686 PolarHBondContact O-NH1 3.37Å; A394-R686 PolarHBondContact O-NH2 3.48Å
395	L	82.7	Confident	89.6	Confident	32 Å²	32	32.1 Å²	32.1	17%	0.168	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-70.5	139.5	169.3	-73.5	163.1	0	0	0	109.5	L282 N285 C389 A492 V643	L282-L395 HydrophobicContact CD1-CD1 3.69Å; L282-L395 HydrophobicContact CD1-CG 3.68Å; N285-L395 HydrophobicContact CB-CD1 3.98Å; N285-L395 WeakPolarHBondContact ND2-CD1 3.45Å; C389-L395 WeakPolarHBondContact CB-O 3.47Å; L395-A492 HydrophobicContact CD1-CB 4.28Å; L395-V643 HydrophobicContact CD2-CB 4.4Å
396	L	91.1	Very high	90	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-68.8	141.7	172.3	-62.5	-166.2	0	0	0	110.6	L390 I400 I401 W494 I647 L650	L390-L396 HydrophobicContact CD2-CD2 3.92Å; L396-I400 HydrophobicContact CD1-CG2 4.26Å; L396-I400 HydrophobicContact CD2-CG2 4.29Å; L396-I401 HydrophobicContact CB-CD1 3.91Å; L396-I401 HydrophobicContact CB-CG1 4.17Å; L396-I401 HydrophobicContact CD1-CD1 3.71Å; L396-I401 HydrophobicContact CG-CD1 4.47Å; L396-W494 PolarHBondContact O-NE1 3.17Å; L396-I647 HydrophobicContact CD1-CD1 3.68Å; L396-I647 HydrophobicContact CD1-CG1 4.01Å; L396-I647 HydrophobicContact CD2-CD1 4.15Å; L396-I647 HydrophobicContact CG-CD1 4.21Å; L396-I647 HydrophobicContact CG-CG1 4.28Å; L396-L650 HydrophobicContact CD1-CD1 3.78Å
397	N	92.4	Very high	90.2	Very high	39 Å²	39	27.1 Å²	27.1	21%	0.209	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-95.7	170.8	175.4	79	6.1	0	0	0	112.3	D386 C389 A399 I400 I401	D386-N397 WeakPolarHBondContact CA-ND2 3.47Å; D386-N397 PolarHBondContact OD1-ND2 3.36Å; C389-N397 PolarHBondContact SG-N 2.78Å; N397-A399 VanDerWaalsContact C-N 3.28Å; N397-A399 PolarHBondContact O-N 2.56Å; N397-A399 PolarHBondContact OD1-N 3.38Å; N397-I400 PolarHBondContact O-N 3.28Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.27Å; N397-I400 PolarHBondContact OD1-N 2.9Å; N397-I401 WeakPolarHBondContact O-CG1 3.39Å; N397-I401 PolarHBondContact O-N 3.17Å
398	D	96.1	Very high	90.5	Very high	59 Å²	59	26.3 Å²	26.3	32%	0.316	16%	0.155	S	C	.	.	H	α-helix	trans	-56.5	-39.6	-178.1	-66.9	1.9	0	0	0	113.1	N402 V426 F427 W494	D398-N402 VanDerWaalsContact O-CB 3.26Å; D398-N402 WeakPolarHBondContact O-CB 3.46Å; D398-N402 VanDerWaalsContact O-CG 3.25Å; D398-N402 PolarHBondContact O-N 3.34Å; D398-N402 PolarHBondContact O-ND2 2.92Å; D398-N402 VanDerWaalsContact O-ND2 3.12Å; D398-V426 HydrophobicContact CB-CG2 3.67Å; D398-F427 HydrophobicContact CB-CE1 4.09Å; D398-F427 HydrophobicContact CB-CZ 4.18Å; D398-F427 VanDerWaalsContact OD2-CE1 3.26Å; D398-F427 WeakPolarHBondContact OD2-CE1 3.12Å; D398-W494 WeakPolarHBondContact OD1-CH2 3.31Å; D398-W494 WeakPolarHBondContact OD1-CZ2 3.37Å
399	A	96.6	Very high	91.1	Very high	17 Å²	17	22.1 Å²	22.1	14%	0.14	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-45.4	-177.8	0	0	0	0	0	111.3	I382 D386 N397 F403	I382-A399 HydrophobicContact CD1-CB 4.06Å; D386-A399 HydrophobicContact CB-CB 4.04Å; D386-A399 WeakPolarHBondContact OD1-CB 3.37Å; N397-A399 VanDerWaalsContact C-N 3.28Å; N397-A399 PolarHBondContact O-N 2.56Å; N397-A399 PolarHBondContact OD1-N 3.38Å; A399-F403 WeakPolarHBondContact O-CB 3.29Å; A399-F403 PolarHBondContact O-N 3.06Å
400	I	97.6	Very high	91.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.1	-40.5	177.9	-63.9	-51.1	0	0	0	111.8	I382 D386 C389 L390 L396 N397 F403 Y404 I689 L693	I382-I400 HydrophobicContact CD1-CD1 4.44Å; I382-I400 HydrophobicContact CG2-CD1 4.36Å; D386-I400 HydrophobicContact CB-CD1 4.11Å; D386-I400 HydrophobicContact CB-CG1 4.33Å; D386-I400 WeakPolarHBondContact O-CG1 3.38Å; C389-I400 WeakPolarHBondContact SG-CG1 3.29Å; L390-I400 HydrophobicContact CD1-CD1 4.37Å; L390-I400 HydrophobicContact CD2-CG2 3.85Å; L390-I400 HydrophobicContact CG-CG2 4.28Å; L396-I400 HydrophobicContact CD1-CG2 4.26Å; L396-I400 HydrophobicContact CD2-CG2 4.29Å; N397-I400 PolarHBondContact O-N 3.28Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.27Å; N397-I400 PolarHBondContact OD1-N 2.9Å; I400-F403 PolarHBondContact O-N 3.42Å; I400-Y404 PolarHBondContact O-N 2.94Å; I400-I689 HydrophobicContact CG2-CG2 4.31Å; I400-L693 HydrophobicContact CD1-CD1 3.87Å
401	I	98.5	Very high	91.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-51	175.4	-62.6	-67.5	0	0	0	110.3	L396 N397 F403 Y404 L405 V426 P487 W494 L649 L650	L396-I401 HydrophobicContact CB-CD1 3.91Å; L396-I401 HydrophobicContact CB-CG1 4.17Å; L396-I401 HydrophobicContact CD1-CD1 3.71Å; L396-I401 HydrophobicContact CG-CD1 4.47Å; N397-I401 WeakPolarHBondContact O-CG1 3.39Å; N397-I401 PolarHBondContact O-N 3.17Å; I401-F403 VanDerWaalsContact C-N 3.34Å; I401-F403 PolarHBondContact O-N 2.65Å; I401-Y404 PolarHBondContact O-N 3.44Å; I401-L405 HydrophobicContact CG2-CD1 3.8Å; I401-L405 HydrophobicContact CG2-CG 4.33Å; I401-L405 WeakPolarHBondContact O-CB 3.36Å; I401-L405 VanDerWaalsContact O-CG 3.32Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 2.86Å; I401-V426 HydrophobicContact CB-CG1 3.85Å; I401-V426 HydrophobicContact CG2-CG1 3.36Å; I401-P487 HydrophobicContact CG2-CB 4.4Å; I401-W494 HydrophobicContact CD1-CD2 4.47Å; I401-W494 HydrophobicContact CG1-CD2 4.2Å; I401-W494 HydrophobicContact CG1-CE3 4.48Å; I401-W494 HydrophobicContact CG1-CH2 4.35Å; I401-W494 HydrophobicContact CG1-CZ2 4.04Å; I401-W494 HydrophobicContact CG2-CZ3 4.42Å; I401-L649 HydrophobicContact CG2-CD2 4.42Å; I401-L650 HydrophobicContact CD1-CD1 4.04Å; I401-L650 HydrophobicContact CD1-CD2 4.08Å; I401-L650 HydrophobicContact CD1-CG 3.9Å; I401-L650 HydrophobicContact CG2-CD2 4.2Å
402	N	98.5	Very high	92.5	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-45	177.7	-76.8	-35	0	0	0	111.6	I380 D398 K406 N425 V426	I380-N402 VanDerWaalsContact CD1-C 3.46Å; I380-N402 HydrophobicContact CD1-CB 3.77Å; I380-N402 WeakPolarHBondContact CD1-O 3.41Å; D398-N402 VanDerWaalsContact O-CB 3.26Å; D398-N402 WeakPolarHBondContact O-CB 3.46Å; D398-N402 VanDerWaalsContact O-CG 3.25Å; D398-N402 PolarHBondContact O-N 3.34Å; D398-N402 PolarHBondContact O-ND2 2.92Å; D398-N402 VanDerWaalsContact O-ND2 3.12Å; N402-K406 WeakPolarHBondContact O-CB 3.24Å; N402-K406 PolarHBondContact O-N 2.84Å; N402-N425 WeakPolarHBondContact OD1-CA 3.29Å; N402-N425 WeakPolarHBondContact OD1-CB 3.44Å; N402-V426 VanDerWaalsContact ND2-CG2 3.28Å; N402-V426 WeakPolarHBondContact ND2-CG2 3.33Å; N402-V426 WeakPolarHBondContact OD1-CG1 3.39Å; N402-V426 PolarHBondContact OD1-N 3.2Å
403	F	98	Very high	93.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.8	-53.9	177.6	157.5	-101.6	0	0	0	111.2	Y371 I382 A399 I400 I401 K406 Y407 I689 L692 L693 L696	Y371-F403 AromaticContact CD1-CD2 3.4Å; Y371-F403 HydrophobicContact CD1-CD2 3.4Å; Y371-F403 AromaticContact CD1-CE2 3.74Å; Y371-F403 HydrophobicContact CD1-CE2 3.74Å; Y371-F403 HydrophobicContact CD2-CE2 4.16Å; Y371-F403 AromaticContact CE1-CD2 3.78Å; Y371-F403 HydrophobicContact CE1-CD2 3.78Å; Y371-F403 AromaticContact CE1-CE2 3.84Å; Y371-F403 HydrophobicContact CE1-CE2 3.84Å; Y371-F403 HydrophobicContact CE2-CE2 4.3Å; Y371-F403 AromaticContact CG-CD2 3.81Å; Y371-F403 HydrophobicContact CG-CD2 3.81Å; Y371-F403 AromaticContact CG-CE2 3.88Å; Y371-F403 HydrophobicContact CG-CE2 3.88Å; I382-F403 HydrophobicContact CD1-CB 3.89Å; I382-F403 HydrophobicContact CD1-CG 4.49Å; A399-F403 WeakPolarHBondContact O-CB 3.29Å; A399-F403 PolarHBondContact O-N 3.06Å; I400-F403 PolarHBondContact O-N 3.42Å; I401-F403 VanDerWaalsContact C-N 3.34Å; I401-F403 PolarHBondContact O-N 2.65Å; F403-K406 PolarHBondContact O-N 3.04Å; F403-Y407 WeakPolarHBondContact O-CB 3.43Å; F403-Y407 PolarHBondContact O-N 3.17Å; F403-I689 HydrophobicContact CD1-CG2 4.44Å; F403-I689 HydrophobicContact CE1-CG2 4.08Å; F403-L692 HydrophobicContact CE1-CD2 4.25Å; F403-L692 HydrophobicContact CZ-CD2 3.96Å; F403-L692 HydrophobicContact CZ-CG 4.15Å; F403-L693 HydrophobicContact CD1-CD1 4.36Å; F403-L693 HydrophobicContact CD1-CD2 3.69Å; F403-L693 HydrophobicContact CD1-CG 4.11Å; F403-L693 HydrophobicContact CD2-CD2 3.79Å; F403-L693 HydrophobicContact CE1-CD1 4.15Å; F403-L693 HydrophobicContact CE1-CD2 3.39Å; F403-L693 HydrophobicContact CE1-CG 3.53Å; F403-L693 HydrophobicContact CE2-CD2 3.52Å; F403-L693 HydrophobicContact CE2-CG 4.43Å; F403-L693 HydrophobicContact CG-CD2 3.89Å; F403-L693 HydrophobicContact CZ-CD2 3.32Å; F403-L693 HydrophobicContact CZ-CG 3.74Å; F403-L696 HydrophobicContact CE2-CD1 3.62Å; F403-L696 HydrophobicContact CZ-CD1 3.66Å
404	Y	98.4	Very high	94.9	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-71.6	-39	-172.2	-165.3	-101.7	0	0	0	111.9	I400 I401 K406 Y407 L408 L650 K685 I689 L692	I400-Y404 PolarHBondContact O-N 2.94Å; I401-Y404 PolarHBondContact O-N 3.44Å; Y404-K406 VanDerWaalsContact C-N 3.28Å; Y404-K406 PolarHBondContact O-N 3.38Å; Y404-Y407 HydrophobicContact CD2-CD1 4.2Å; Y404-Y407 HydrophobicContact CE2-CD1 4.01Å; Y404-Y407 HydrophobicContact CE2-CE1 4.32Å; Y404-Y407 WeakPolarHBondContact O-CB 3.35Å; Y404-Y407 PolarHBondContact O-N 3.07Å; Y404-L408 HydrophobicContact CD1-CD1 3.88Å; Y404-L408 HydrophobicContact CD1-CG 3.97Å; Y404-L408 HydrophobicContact CE1-CD1 3.76Å; Y404-L408 HydrophobicContact CE1-CD2 3.91Å; Y404-L408 HydrophobicContact CE1-CG 3.83Å; Y404-L408 WeakPolarHBondContact O-CG 3.48Å; Y404-L408 PolarHBondContact O-N 3.19Å; Y404-L650 HydrophobicContact CD1-CB 3.73Å; Y404-L650 HydrophobicContact CD1-CD1 3.73Å; Y404-L650 HydrophobicContact CD1-CD2 3.89Å; Y404-L650 HydrophobicContact CD1-CG 3.96Å; Y404-L650 HydrophobicContact CE1-CB 4.1Å; Y404-L650 HydrophobicContact CG-CD1 3.91Å; Y404-L650 HydrophobicContact CG-CD2 4.41Å; Y404-K685 WeakPolarHBondContact OH-CE 3.41Å; Y404-K685 PolarHBondContact OH-NZ 2.98Å; Y404-I689 HydrophobicContact CD2-CB 4.46Å; Y404-I689 HydrophobicContact CD2-CD1 4.18Å; Y404-I689 HydrophobicContact CD2-CG1 3.7Å; Y404-I689 HydrophobicContact CD2-CG2 4.12Å; Y404-I689 HydrophobicContact CE2-CD1 4.34Å; Y404-I689 HydrophobicContact CE2-CG1 3.62Å; Y404-I689 HydrophobicContact CG-CD1 4.31Å; Y404-I689 HydrophobicContact CG-CG1 4.32Å; Y404-L692 HydrophobicContact CD2-CD2 4.13Å; Y404-L692 HydrophobicContact CE2-CD2 3.92Å
405	L	98.7	Very high	95.7	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-40.2	173.3	-68.9	178	0	0	0	111.5	I401 L408 Y409 L423 P487 L649 L650 V653	I401-L405 HydrophobicContact CG2-CD1 3.8Å; I401-L405 HydrophobicContact CG2-CG 4.33Å; I401-L405 WeakPolarHBondContact O-CB 3.36Å; I401-L405 VanDerWaalsContact O-CG 3.32Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 2.86Å; L405-L408 PolarHBondContact O-N 3.05Å; L405-Y409 WeakPolarHBondContact O-CB 3.32Å; L405-Y409 PolarHBondContact O-N 3.47Å; L405-L423 HydrophobicContact CB-CD1 4.06Å; L405-L423 HydrophobicContact CB-CD2 3.91Å; L405-L423 HydrophobicContact CD1-CD1 4.14Å; L405-L423 WeakPolarHBondContact O-CD2 3.39Å; L405-P487 HydrophobicContact CD1-CB 3.89Å; L405-P487 HydrophobicContact CD1-CG 3.78Å; L405-L649 HydrophobicContact CD1-CD2 4.32Å; L405-L649 HydrophobicContact CD2-CD2 4.24Å; L405-L650 HydrophobicContact CD1-CD2 4.45Å; L405-L650 HydrophobicContact CD2-CD2 3.64Å; L405-L650 HydrophobicContact CG-CD2 3.6Å; L405-V653 HydrophobicContact CD2-CB 4.11Å; L405-V653 HydrophobicContact CD2-CG1 4.12Å; L405-V653 HydrophobicContact CD2-CG2 3.8Å
406	K	98.1	Very high	96.1	Very high	11 Å²	11	36 Å²	36	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-40.5	176.7	-164.1	171.5	-174.2	177.2	0	111.7	Y371 P373 S376 D378 I380 N402 F403 Y404 Y409 F410	Y371-K406 HydrophobicContact CE1-CB 4.45Å; P373-K406 HydrophobicContact CG-CD 4.18Å; P373-K406 HydrophobicContact CG-CG 3.87Å; S376-K406 WeakPolarHBondContact OG-CE 3.35Å; S376-K406 PolarHBondContact OG-NZ 2.75Å; D378-K406 VanDerWaalsContact C-NZ 3.31Å; D378-K406 PolarHBondContact O-NZ 2.82Å; D378-K406 IonicContact OD1-NZ 3.34Å; D378-K406 PolarHBondContact OD1-NZ 3.04Å; D378-K406 IonicContact OD2-NZ 3.77Å; D378-K406 PolarHBondContact OD2-NZ 3.24Å; I380-K406 HydrophobicContact CD1-CB 4.01Å; I380-K406 HydrophobicContact CD1-CD 3.48Å; I380-K406 VanDerWaalsContact CD1-CD 3.48Å; I380-K406 HydrophobicContact CD1-CG 4.4Å; I380-K406 HydrophobicContact CG1-CD 4.01Å; N402-K406 WeakPolarHBondContact O-CB 3.24Å; N402-K406 PolarHBondContact O-N 2.84Å; F403-K406 PolarHBondContact O-N 3.04Å; Y404-K406 VanDerWaalsContact C-N 3.28Å; Y404-K406 PolarHBondContact O-N 3.38Å; K406-Y409 PolarHBondContact O-N 3.18Å; K406-F410 HydrophobicContact CD-CD2 4.48Å; K406-F410 HydrophobicContact CD-CE2 4.35Å; K406-F410 HydrophobicContact CG-CD2 3.48Å; K406-F410 VanDerWaalsContact CG-CD2 3.48Å; K406-F410 HydrophobicContact CG-CE2 3.67Å; K406-F410 WeakPolarHBondContact O-CB 3.29Å; K406-F410 WeakPolarHBondContact O-CD2 3.44Å; K406-F410 PolarHBondContact O-N 3.31Å
407	Y	97.8	Very high	96.2	Very high	14 Å²	14	37.7 Å²	37.7	6%	0.055	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-47.8	172.1	168.8	-103.9	0	0	0	112.3	Y371 F403 Y404 Y409 E411 R412 L692 L696	Y371-Y407 WeakPolarHBondContact OH-CA 3.5Å; F403-Y407 WeakPolarHBondContact O-CB 3.43Å; F403-Y407 PolarHBondContact O-N 3.17Å; Y404-Y407 HydrophobicContact CD2-CD1 4.2Å; Y404-Y407 HydrophobicContact CE2-CD1 4.01Å; Y404-Y407 HydrophobicContact CE2-CE1 4.32Å; Y404-Y407 WeakPolarHBondContact O-CB 3.35Å; Y404-Y407 PolarHBondContact O-N 3.07Å; Y407-Y409 VanDerWaalsContact C-N 3.33Å; Y407-Y409 PolarHBondContact O-N 3.06Å; Y407-E411 HydrophobicContact CD2-CB 3.92Å; Y407-E411 HydrophobicContact CD2-CG 4.24Å; Y407-E411 HydrophobicContact CE2-CB 3.89Å; Y407-E411 HydrophobicContact CE2-CG 4.42Å; Y407-E411 WeakPolarHBondContact O-CB 3.44Å; Y407-E411 PolarHBondContact O-N 3.08Å; Y407-R412 HydrophobicContact CD1-CG 4.26Å; Y407-R412 HydrophobicContact CE1-CG 3.77Å; Y407-R412 VanDerWaalsContact CZ-NE 3.28Å; Y407-R412 PolarHBondContact O-N 3.18Å; Y407-R412 PolarHBondContact OH-NE 3.44Å; Y407-R412 PolarHBondContact OH-NH2 3.28Å; Y407-L692 HydrophobicContact CD1-CD2 3.51Å; Y407-L692 HydrophobicContact CD2-CD1 4.4Å; Y407-L692 HydrophobicContact CD2-CD2 4.03Å; Y407-L692 HydrophobicContact CE1-CD1 4.33Å; Y407-L692 HydrophobicContact CE1-CD2 3.36Å; Y407-L692 HydrophobicContact CE1-CG 4.49Å; Y407-L692 HydrophobicContact CE2-CD1 3.71Å; Y407-L692 HydrophobicContact CE2-CD2 3.92Å; Y407-L692 HydrophobicContact CE2-CG 4.38Å; Y407-L692 HydrophobicContact CG-CD2 3.8Å; Y407-L692 WeakPolarHBondContact OH-CD1 3.3Å; Y407-L696 HydrophobicContact CD2-CD1 4.37Å
408	L	97.9	Very high	96.3	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	19%	0.19	C	C	.	.	I	π-helix	trans	-56.6	-50.5	175	-69.6	179.6	0	0	0	110.3	Y404 L405 R412 L413 V653 E654	Y404-L408 HydrophobicContact CD1-CD1 3.88Å; Y404-L408 HydrophobicContact CD1-CG 3.97Å; Y404-L408 HydrophobicContact CE1-CD1 3.76Å; Y404-L408 HydrophobicContact CE1-CD2 3.91Å; Y404-L408 HydrophobicContact CE1-CG 3.83Å; Y404-L408 WeakPolarHBondContact O-CG 3.48Å; Y404-L408 PolarHBondContact O-N 3.19Å; L405-L408 PolarHBondContact O-N 3.05Å; L408-R412 HydrophobicContact CD2-CB 4.34Å; L408-R412 HydrophobicContact CD2-CG 4.13Å; L408-R412 CarbonylContact O-C 3.55Å; L408-R412 WeakPolarHBondContact O-CA 3.03Å; L408-R412 WeakPolarHBondContact O-CB 3.2Å; L408-R412 PolarHBondContact O-N 2.88Å; L408-L413 WeakPolarHBondContact O-CG 3.39Å; L408-L413 PolarHBondContact O-N 2.94Å; L408-V653 HydrophobicContact CD1-CB 4.22Å; L408-V653 HydrophobicContact CD1-CG1 3.95Å; L408-E654 HydrophobicContact CD1-CB 4.06Å; L408-E654 HydrophobicContact CD2-CB 4.12Å; L408-E654 HydrophobicContact CD2-CG 3.98Å
409	Y	98.3	Very high	96.2	Very high	40 Å²	40	37.6 Å²	37.6	16%	0.157	19%	0.185	C	C	.	.	I	π-helix	trans	-63.2	-48.1	-177	-176	-90.8	0	0	0	113.4	L405 K406 Y407 L413 K418 T421 L423	L405-Y409 WeakPolarHBondContact O-CB 3.32Å; L405-Y409 PolarHBondContact O-N 3.47Å; K406-Y409 PolarHBondContact O-N 3.18Å; Y407-Y409 VanDerWaalsContact C-N 3.33Å; Y407-Y409 PolarHBondContact O-N 3.06Å; Y409-L413 HydrophobicContact CD2-CD1 3.91Å; Y409-L413 HydrophobicContact CG-CD1 4.48Å; Y409-K418 HydrophobicContact CD1-CG 4.13Å; Y409-K418 HydrophobicContact CE1-CD 4.07Å; Y409-K418 HydrophobicContact CE1-CG 3.53Å; Y409-K418 HydrophobicContact CE2-CG 4.07Å; Y409-K418 VanDerWaalsContact CZ-CG 3.49Å; Y409-K418 WeakPolarHBondContact O-CE 3.49Å; Y409-K418 PolarHBondContact OH-O 3.41Å; Y409-T421 HydrophobicContact CE2-CG2 4.38Å; Y409-T421 PolarHBondContact OH-O 3.29Å; Y409-L423 HydrophobicContact CD2-CB 3.88Å; Y409-L423 HydrophobicContact CD2-CD2 4.41Å; Y409-L423 HydrophobicContact CE2-CB 4.23Å; Y409-L423 HydrophobicContact CG-CB 4.36Å; Y409-L423 HydrophobicContact CG-CD2 4.16Å
410	F	97.5	Very high	96.1	Very high	41 Å²	41	37 Å²	37	18%	0.18	18%	0.18	C	C	.	.	I	π-helix	trans	-85.6	-37.5	-173.1	-77.1	-80.7	0	0	0	114.1	P373 P374 G375 S376 K406 K418	P373-F410 HydrophobicContact CB-CB 3.55Å; P373-F410 HydrophobicContact CB-CD2 4.39Å; P373-F410 HydrophobicContact CB-CG 4Å; P373-F410 HydrophobicContact CG-CB 3.78Å; P373-F410 HydrophobicContact CG-CD2 3.67Å; P373-F410 HydrophobicContact CG-CE2 4.46Å; P373-F410 HydrophobicContact CG-CG 3.78Å; P374-F410 WeakPolarHBondContact O-CD1 3.22Å; G375-F410 VanDerWaalsContact C-CE1 3.48Å; S376-F410 VanDerWaalsContact CA-CE1 3.49Å; K406-F410 HydrophobicContact CD-CD2 4.48Å; K406-F410 HydrophobicContact CD-CE2 4.35Å; K406-F410 HydrophobicContact CG-CD2 3.48Å; K406-F410 VanDerWaalsContact CG-CD2 3.48Å; K406-F410 HydrophobicContact CG-CE2 3.67Å; K406-F410 WeakPolarHBondContact O-CB 3.29Å; K406-F410 WeakPolarHBondContact O-CD2 3.44Å; K406-F410 PolarHBondContact O-N 3.31Å; F410-K418 PolarHBondContact O-NZ 2.99Å
411	E	95.6	Very high	96	Very high	65 Å²	65	37.1 Å²	37.1	30%	0.304	18%	0.18	S	C	.	.	I	π-helix	trans	-109.4	-16.1	-171.2	-66.5	-173.8	-124.4	0	0	114.1	Y371 P373 Y407 R699	Y371-E411 WeakPolarHBondContact CE2-OE1 3.46Å; Y371-E411 PolarHBondContact OH-OE1 3.31Å; P373-E411 HydrophobicContact CB-CG 4.37Å; Y407-E411 HydrophobicContact CD2-CB 3.92Å; Y407-E411 HydrophobicContact CD2-CG 4.24Å; Y407-E411 HydrophobicContact CE2-CB 3.89Å; Y407-E411 HydrophobicContact CE2-CG 4.42Å; Y407-E411 WeakPolarHBondContact O-CB 3.44Å; Y407-E411 PolarHBondContact O-N 3.08Å; E411-R699 IonicContact OE2-NH1 3.9Å; E411-R699 PolarHBondContact OE2-NH1 3.43Å
412	R	95.7	Very high	96	Very high	161 Å²	161	38.9 Å²	38.9	61%	0.608	19%	0.187	S	C	*	.	I	π-helix	trans	-110.7	-35.4	-180	-59	-58	-166.6	166.7	1.1	114.5	Y407 L408	Y407-R412 HydrophobicContact CD1-CG 4.26Å; Y407-R412 HydrophobicContact CE1-CG 3.77Å; Y407-R412 VanDerWaalsContact CZ-NE 3.28Å; Y407-R412 PolarHBondContact O-N 3.18Å; Y407-R412 PolarHBondContact OH-NE 3.44Å; Y407-R412 PolarHBondContact OH-NH2 3.28Å; L408-R412 HydrophobicContact CD2-CB 4.34Å; L408-R412 HydrophobicContact CD2-CG 4.13Å; L408-R412 CarbonylContact O-C 3.55Å; L408-R412 WeakPolarHBondContact O-CA 3.03Å; L408-R412 WeakPolarHBondContact O-CB 3.2Å; L408-R412 PolarHBondContact O-N 2.88Å
413	L	95.6	Very high	96	Very high	20 Å²	20	39.6 Å²	39.6	11%	0.105	19%	0.191	C	C	.	.	S	Bend	trans	-70.1	139.1	175.5	-61.8	-171.7	0	0	0	111	L408 Y409 Q417 K418 F657	L408-L413 WeakPolarHBondContact O-CG 3.39Å; L408-L413 PolarHBondContact O-N 2.94Å; Y409-L413 HydrophobicContact CD2-CD1 3.91Å; Y409-L413 HydrophobicContact CG-CD1 4.48Å; L413-Q417 HydrophobicContact CB-CB 3.99Å; L413-Q417 HydrophobicContact CD1-CB 4.45Å; L413-Q417 HydrophobicContact CD2-CB 4.28Å; L413-Q417 HydrophobicContact CG-CB 4.46Å; L413-K418 HydrophobicContact CB-CB 4.34Å; L413-F657 HydrophobicContact CD1-CE1 4.43Å; L413-F657 HydrophobicContact CD1-CZ 4.48Å; L413-F657 HydrophobicContact CD2-CB 3.46Å; L413-F657 VanDerWaalsContact CD2-CB 3.46Å; L413-F657 HydrophobicContact CD2-CD1 3.66Å; L413-F657 HydrophobicContact CD2-CD2 3.78Å; L413-F657 HydrophobicContact CD2-CE1 4.36Å; L413-F657 HydrophobicContact CD2-CE2 4.48Å; L413-F657 HydrophobicContact CD2-CG 3.33Å
414	T	93.3	Very high	96.1	Very high	76 Å²	76	39.7 Å²	39.7	47%	0.466	19%	0.192	S	C	.	.			trans	-62.4	160.4	168	60.9	0	0	0	0	110.8	F416 Q417 K418	T414-F416 PolarHBondContact O-N 3.26Å; T414-Q417 PolarHBondContact O-N 3.45Å; T414-Q417 VanDerWaalsContact O-N 3.15Å; T414-Q417 WeakPolarHBondContact OG1-CB 3.42Å; T414-Q417 VanDerWaalsContact OG1-CG 3.27Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.19Å; T414-Q417 PolarHBondContact OG1-N 3.11Å; T414-Q417 PolarHBondContact OG1-OE1 3.14Å; T414-Q417 VanDerWaalsContact OG1-OE1 3.04Å; T414-K418 WeakPolarHBondContact O-CB 3.36Å; T414-K418 PolarHBondContact O-N 3.49Å
415	S	91.8	Very high	96	Very high	100 Å²	100	42.2 Å²	42.2	70%	0.699	21%	0.206	S	C	*	.	H	α-helix	trans	-53.9	-43.7	176.5	-56.6	0	0	0	0	112.1	K418 Q419	S415-K418 PolarHBondContact O-N 3.37Å; S415-Q419 VanDerWaalsContact O-CB 3.29Å; S415-Q419 WeakPolarHBondContact O-CB 3.28Å; S415-Q419 PolarHBondContact O-N 3.48Å
416	F	90.6	Very high	95.9	Very high	68 Å²	68	42.3 Å²	42.3	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-60.1	-50.2	175.7	177.1	-101	0	0	0	112.5	T414 K418 Q419 A420 D545 W573	T414-F416 PolarHBondContact O-N 3.26Å; F416-K418 PolarHBondContact O-N 3.4Å; F416-Q419 PolarHBondContact O-N 2.89Å; F416-A420 WeakPolarHBondContact O-CB 3.31Å; F416-A420 PolarHBondContact O-N 3.25Å; F416-D545 WeakPolarHBondContact CD2-OD2 3.47Å; F416-W573 HydrophobicContact CD2-CH2 4.42Å; F416-W573 AromaticContact CE2-CH2 3.39Å; F416-W573 HydrophobicContact CE2-CH2 3.39Å; F416-W573 HydrophobicContact CE2-CZ2 4.4Å; F416-W573 AromaticContact CE2-CZ3 3.93Å; F416-W573 HydrophobicContact CE2-CZ3 3.93Å; F416-W573 AromaticContact CZ-CH2 3.49Å; F416-W573 HydrophobicContact CZ-CH2 3.49Å; F416-W573 VanDerWaalsContact CZ-CH2 3.49Å; F416-W573 AromaticContact CZ-CZ3 3.7Å; F416-W573 HydrophobicContact CZ-CZ3 3.7Å
417	Q	93.8	Very high	95.9	Very high	40 Å²	40	46.3 Å²	46.3	19%	0.187	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-43.2	178.9	-75.3	170	-41.2	0	0	112.2	L413 T414 Q419 A420 T421 F657	L413-Q417 HydrophobicContact CB-CB 3.99Å; L413-Q417 HydrophobicContact CD1-CB 4.45Å; L413-Q417 HydrophobicContact CD2-CB 4.28Å; L413-Q417 HydrophobicContact CG-CB 4.46Å; T414-Q417 PolarHBondContact O-N 3.45Å; T414-Q417 VanDerWaalsContact O-N 3.15Å; T414-Q417 WeakPolarHBondContact OG1-CB 3.42Å; T414-Q417 VanDerWaalsContact OG1-CG 3.27Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.19Å; T414-Q417 PolarHBondContact OG1-N 3.11Å; T414-Q417 PolarHBondContact OG1-OE1 3.14Å; T414-Q417 VanDerWaalsContact OG1-OE1 3.04Å; Q417-Q419 VanDerWaalsContact C-N 3.33Å; Q417-Q419 PolarHBondContact O-N 3.15Å; Q417-A420 PolarHBondContact O-N 2.97Å; Q417-T421 WeakPolarHBondContact O-CB 3.48Å; Q417-T421 PolarHBondContact O-N 2.77Å; Q417-T421 VanDerWaalsContact O-N 3.09Å; Q417-T421 PolarHBondContact O-OG1 2.82Å; Q417-F657 HydrophobicContact CB-CD1 4.28Å; Q417-F657 HydrophobicContact CG-CD1 4.18Å; Q417-F657 PolarHBondContact NE2-O 3.28Å
418	K	94	Very high	95.9	Very high	52 Å²	52	45.7 Å²	45.7	23%	0.226	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-45.3	178.1	-176.7	-176	-63.3	176.8	0	110.9	Y409 F410 L413 T414 S415 F416 T421	Y409-K418 HydrophobicContact CD1-CG 4.13Å; Y409-K418 HydrophobicContact CE1-CD 4.07Å; Y409-K418 HydrophobicContact CE1-CG 3.53Å; Y409-K418 HydrophobicContact CE2-CG 4.07Å; Y409-K418 VanDerWaalsContact CZ-CG 3.49Å; Y409-K418 WeakPolarHBondContact O-CE 3.49Å; Y409-K418 PolarHBondContact OH-O 3.41Å; F410-K418 PolarHBondContact O-NZ 2.99Å; L413-K418 HydrophobicContact CB-CB 4.34Å; T414-K418 WeakPolarHBondContact O-CB 3.36Å; T414-K418 PolarHBondContact O-N 3.49Å; S415-K418 PolarHBondContact O-N 3.37Å; F416-K418 PolarHBondContact O-N 3.4Å; K418-T421 PolarHBondContact O-N 3.32Å
419	Q	92.9	Very high	95.9	Very high	45 Å²	45	45.7 Å²	45.7	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-39.2	-179.1	-169.8	-152.8	-54.3	0	0	112.2	S415 F416 Q417 T421 K481 D545 E548	S415-Q419 VanDerWaalsContact O-CB 3.29Å; S415-Q419 WeakPolarHBondContact O-CB 3.28Å; S415-Q419 PolarHBondContact O-N 3.48Å; F416-Q419 PolarHBondContact O-N 2.89Å; Q417-Q419 VanDerWaalsContact C-N 3.33Å; Q417-Q419 PolarHBondContact O-N 3.15Å; Q419-T421 PolarHBondContact O-N 2.72Å; Q419-K481 VanDerWaalsContact O-CD 3.27Å; Q419-K481 WeakPolarHBondContact O-CD 3.42Å; Q419-K481 PolarHBondContact O-NZ 3.5Å; Q419-D545 VanDerWaalsContact CD-OD2 3.23Å; Q419-D545 PolarHBondContact NE2-OD2 2.91Å; Q419-D545 PolarHBondContact OE1-OD2 3.39Å; Q419-E548 HydrophobicContact CG-CG 4.28Å; Q419-E548 WeakPolarHBondContact CG-OE1 3.48Å; Q419-E548 VanDerWaalsContact NE2-CD 3.3Å; Q419-E548 PolarHBondContact NE2-OE1 3.02Å
420	A	95.1	Very high	95.6	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-8.1	175.6	0	0	0	0	0	113.8	F416 Q417 K481 D482 Y483	F416-A420 WeakPolarHBondContact O-CB 3.31Å; F416-A420 PolarHBondContact O-N 3.25Å; Q417-A420 PolarHBondContact O-N 2.97Å; A420-K481 CarbonylContact O-C 3.5Å; A420-D482 HydrophobicContact CB-CB 4.15Å; A420-D482 PolarHBondContact O-N 3.47Å; A420-Y483 PolarHBondContact O-N 3.25Å
421	T	97	Very high	95.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.8	-173.5	-56.3	0	0	0	0	111.3	Y409 Q417 K418 Q419 Y483 I485 F657	Y409-T421 HydrophobicContact CE2-CG2 4.38Å; Y409-T421 PolarHBondContact OH-O 3.29Å; Q417-T421 WeakPolarHBondContact O-CB 3.48Å; Q417-T421 PolarHBondContact O-N 2.77Å; Q417-T421 VanDerWaalsContact O-N 3.09Å; Q417-T421 PolarHBondContact O-OG1 2.82Å; K418-T421 PolarHBondContact O-N 3.32Å; Q419-T421 PolarHBondContact O-N 2.72Å; T421-Y483 CarbonylContact C-O 3.52Å; T421-Y483 VanDerWaalsContact CA-O 3.29Å; T421-Y483 WeakPolarHBondContact CA-O 3.42Å; T421-I485 HydrophobicContact CG2-CD1 3.69Å; T421-I485 HydrophobicContact CG2-CG1 3.95Å; T421-F657 HydrophobicContact CG2-CE1 4.46Å; T421-F657 HydrophobicContact CG2-CZ 3.76Å; T421-F657 WeakPolarHBondContact OG1-CE1 3.23Å; T421-F657 WeakPolarHBondContact OG1-CZ 3.46Å
422	Y	98.2	Very high	95.5	Very high	37 Å²	37	47.6 Å²	47.6	15%	0.145	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.5	164.4	-175	-103.1	0	0	0	110.3	F424 W472 T473 V476 L478 Y483 I484 I485	Y422-F424 AromaticContact CD1-CD2 3.89Å; Y422-F424 HydrophobicContact CD1-CD2 3.89Å; Y422-F424 HydrophobicContact CD1-CE1 4.48Å; Y422-F424 AromaticContact CD1-CE2 3.79Å; Y422-F424 HydrophobicContact CD1-CE2 3.79Å; Y422-F424 HydrophobicContact CD1-CG 4.3Å; Y422-F424 HydrophobicContact CD1-CZ 4.12Å; Y422-F424 AromaticContact CE1-CD1 3.67Å; Y422-F424 HydrophobicContact CE1-CD1 3.67Å; Y422-F424 AromaticContact CE1-CD2 3.78Å; Y422-F424 HydrophobicContact CE1-CD2 3.78Å; Y422-F424 AromaticContact CE1-CE1 3.52Å; Y422-F424 HydrophobicContact CE1-CE1 3.52Å; Y422-F424 AromaticContact CE1-CE2 3.64Å; Y422-F424 HydrophobicContact CE1-CE2 3.64Å; Y422-F424 AromaticContact CE1-CG 3.81Å; Y422-F424 HydrophobicContact CE1-CG 3.81Å; Y422-F424 AromaticContact CE1-CZ 3.51Å; Y422-F424 HydrophobicContact CE1-CZ 3.51Å; Y422-W472 PolarHBondContact OH-O 2.73Å; Y422-T473 HydrophobicContact CE1-CG2 4.39Å; Y422-V476 HydrophobicContact CD2-CB 4.35Å; Y422-V476 HydrophobicContact CD2-CG1 3.71Å; Y422-V476 HydrophobicContact CD2-CG2 4.3Å; Y422-V476 HydrophobicContact CE2-CB 4.09Å; Y422-V476 HydrophobicContact CE2-CG1 3.97Å; Y422-V476 HydrophobicContact CE2-CG2 3.84Å; Y422-V476 HydrophobicContact CG-CG1 4.41Å; Y422-L478 HydrophobicContact CD1-CD2 3.41Å; Y422-L478 VanDerWaalsContact CD1-CD2 3.41Å; Y422-L478 HydrophobicContact CD2-CD2 4.4Å; Y422-L478 HydrophobicContact CE1-CD2 3.88Å; Y422-L478 HydrophobicContact CG-CD2 3.68Å; Y422-Y483 PolarHBondContact N-O 3.07Å; Y422-I484 HydrophobicContact CD1-CG2 4.27Å; Y422-I484 CarbonylContact O-C 3.56Å; Y422-I484 WeakPolarHBondContact O-CA 3.23Å; Y422-I485 PolarHBondContact O-N 3.31Å
423	L	98.4	Very high	95.3	Very high	35 Å²	35	41.7 Å²	41.7	18%	0.183	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.2	-179.8	172.1	63.4	0	0	0	109.5	L405 Y409 I485	L405-L423 HydrophobicContact CB-CD1 4.06Å; L405-L423 HydrophobicContact CB-CD2 3.91Å; L405-L423 HydrophobicContact CD1-CD1 4.14Å; L405-L423 WeakPolarHBondContact O-CD2 3.39Å; Y409-L423 HydrophobicContact CD2-CB 3.88Å; Y409-L423 HydrophobicContact CD2-CD2 4.41Å; Y409-L423 HydrophobicContact CE2-CB 4.23Å; Y409-L423 HydrophobicContact CG-CB 4.36Å; Y409-L423 HydrophobicContact CG-CD2 4.16Å; L423-I485 HydrophobicContact CD1-CB 3.81Å; L423-I485 HydrophobicContact CD1-CD1 4.25Å; L423-I485 HydrophobicContact CD1-CG2 3.66Å
424	F	98.7	Very high	94.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	24%	0.24	C	C	.	.			trans	-77.7	148.8	164.1	-77.5	-74.2	0	0	0	110.6	Y422 F428 W472 T473 L478 I484 I485 I486 P487 Y606	Y422-F424 AromaticContact CD1-CD2 3.89Å; Y422-F424 HydrophobicContact CD1-CD2 3.89Å; Y422-F424 HydrophobicContact CD1-CE1 4.48Å; Y422-F424 AromaticContact CD1-CE2 3.79Å; Y422-F424 HydrophobicContact CD1-CE2 3.79Å; Y422-F424 HydrophobicContact CD1-CG 4.3Å; Y422-F424 HydrophobicContact CD1-CZ 4.12Å; Y422-F424 AromaticContact CE1-CD1 3.67Å; Y422-F424 HydrophobicContact CE1-CD1 3.67Å; Y422-F424 AromaticContact CE1-CD2 3.78Å; Y422-F424 HydrophobicContact CE1-CD2 3.78Å; Y422-F424 AromaticContact CE1-CE1 3.52Å; Y422-F424 HydrophobicContact CE1-CE1 3.52Å; Y422-F424 AromaticContact CE1-CE2 3.64Å; Y422-F424 HydrophobicContact CE1-CE2 3.64Å; Y422-F424 AromaticContact CE1-CG 3.81Å; Y422-F424 HydrophobicContact CE1-CG 3.81Å; Y422-F424 AromaticContact CE1-CZ 3.51Å; Y422-F424 HydrophobicContact CE1-CZ 3.51Å; F424-F428 HydrophobicContact CB-CB 3.84Å; F424-F428 HydrophobicContact CB-CD1 4.07Å; F424-F428 HydrophobicContact CB-CG 4.04Å; F424-F428 HydrophobicContact CD1-CB 3.62Å; F424-F428 AromaticContact CD1-CD1 3.8Å; F424-F428 HydrophobicContact CD1-CD1 3.8Å; F424-F428 AromaticContact CD1-CD2 3.35Å; F424-F428 HydrophobicContact CD1-CD2 3.35Å; F424-F428 HydrophobicContact CD1-CE1 4.32Å; F424-F428 AromaticContact CD1-CE2 3.92Å; F424-F428 HydrophobicContact CD1-CE2 3.92Å; F424-F428 AromaticContact CD1-CG 3.27Å; F424-F428 HydrophobicContact CD1-CG 3.27Å; F424-F428 HydrophobicContact CD1-CZ 4.37Å; F424-F428 AromaticContact CD2-CD1 3.93Å; F424-F428 HydrophobicContact CD2-CD1 3.93Å; F424-F428 HydrophobicContact CD2-CE1 4.03Å; F424-F428 HydrophobicContact CD2-CG 4.27Å; F424-F428 HydrophobicContact CD2-CZ 4.45Å; F424-F428 HydrophobicContact CE1-CB 4.39Å; F424-F428 HydrophobicContact CE1-CD1 4.12Å; F424-F428 AromaticContact CE1-CD2 3.2Å; F424-F428 HydrophobicContact CE1-CD2 3.2Å; F424-F428 HydrophobicContact CE1-CE1 4.23Å; F424-F428 AromaticContact CE1-CE2 3.32Å; F424-F428 HydrophobicContact CE1-CE2 3.32Å; F424-F428 AromaticContact CE1-CG 3.63Å; F424-F428 HydrophobicContact CE1-CG 3.63Å; F424-F428 AromaticContact CE1-CZ 3.86Å; F424-F428 HydrophobicContact CE1-CZ 3.86Å; F424-F428 HydrophobicContact CE2-CD1 4.24Å; F424-F428 AromaticContact CE2-CE1 3.92Å; F424-F428 HydrophobicContact CE2-CE1 3.92Å; F424-F428 HydrophobicContact CE2-CE2 4.27Å; F424-F428 AromaticContact CE2-CZ 3.94Å; F424-F428 HydrophobicContact CE2-CZ 3.94Å; F424-F428 HydrophobicContact CG-CB 3.94Å; F424-F428 AromaticContact CG-CD1 3.67Å; F424-F428 HydrophobicContact CG-CD1 3.67Å; F424-F428 HydrophobicContact CG-CD2 4.12Å; F424-F428 HydrophobicContact CG-CE1 4.21Å; F424-F428 AromaticContact CG-CG 3.61Å; F424-F428 HydrophobicContact CG-CG 3.61Å; F424-F428 HydrophobicContact CZ-CD1 4.32Å; F424-F428 AromaticContact CZ-CD2 3.87Å; F424-F428 HydrophobicContact CZ-CD2 3.87Å; F424-F428 HydrophobicContact CZ-CE1 4.02Å; F424-F428 AromaticContact CZ-CE2 3.52Å; F424-F428 HydrophobicContact CZ-CE2 3.52Å; F424-F428 HydrophobicContact CZ-CG 4.25Å; F424-F428 AromaticContact CZ-CZ 3.6Å; F424-F428 HydrophobicContact CZ-CZ 3.6Å; F424-W472 AromaticContact CD1-CE3 3.99Å; F424-W472 HydrophobicContact CD1-CE3 3.99Å; F424-W472 HydrophobicContact CD1-CZ3 4.47Å; F424-W472 HydrophobicContact CE1-CB 4.34Å; F424-W472 HydrophobicContact CE1-CE3 4.31Å; F424-T473 HydrophobicContact CE1-CG2 4.2Å; F424-T473 HydrophobicContact CZ-CG2 3.89Å; F424-L478 HydrophobicContact CE2-CD1 4.33Å; F424-L478 HydrophobicContact CZ-CD1 4.18Å; F424-I484 HydrophobicContact CD2-CG2 3.69Å; F424-I484 HydrophobicContact CE2-CG2 3.62Å; F424-I485 PolarHBondContact N-O 2.86Å; F424-I486 HydrophobicContact CD2-CG1 3.93Å; F424-P487 WeakPolarHBondContact O-CD 3.18Å; F424-Y606 HydrophobicContact CE2-CE1 4.33Å; F424-Y606 HydrophobicContact CZ-CE1 4.05Å
425	N	97.3	Very high	93.1	Very high	62 Å²	62	41.4 Å²	41.4	33%	0.332	22%	0.224	S	C	.	.			trans	-80.2	169.5	167.5	76.4	30.3	0	0	0	110.6	N402 F427 F428 W472	N402-N425 WeakPolarHBondContact OD1-CA 3.29Å; N402-N425 WeakPolarHBondContact OD1-CB 3.44Å; N425-F427 PolarHBondContact O-N 2.78Å; N425-F427 VanDerWaalsContact O-N 3.13Å; N425-F427 WeakPolarHBondContact OD1-CD2 3.25Å; N425-F427 PolarHBondContact OD1-N 2.78Å; N425-F428 PolarHBondContact O-N 3.39Å; N425-F428 PolarHBondContact OD1-N 3.26Å; N425-W472 WeakPolarHBondContact OD1-CH2 3.39Å; N425-W472 WeakPolarHBondContact OD1-CZ3 3.18Å
426	V	97.4	Very high	91	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.036	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.6	-177.1	-59.5	0	0	0	0	115.6	D398 I401 N402 P487 W494	D398-V426 HydrophobicContact CB-CG2 3.67Å; I401-V426 HydrophobicContact CB-CG1 3.85Å; I401-V426 HydrophobicContact CG2-CG1 3.36Å; N402-V426 VanDerWaalsContact ND2-CG2 3.28Å; N402-V426 WeakPolarHBondContact ND2-CG2 3.33Å; N402-V426 WeakPolarHBondContact OD1-CG1 3.39Å; N402-V426 PolarHBondContact OD1-N 3.2Å; V426-P487 HydrophobicContact CG1-CB 4.12Å; V426-P487 HydrophobicContact CG1-CG 3.99Å; V426-W494 HydrophobicContact CB-CH2 3.77Å; V426-W494 HydrophobicContact CB-CZ3 3.84Å; V426-W494 HydrophobicContact CG1-CH2 3.68Å; V426-W494 HydrophobicContact CG1-CZ3 3.58Å; V426-W494 HydrophobicContact CG2-CH2 4.39Å
427	F	96.8	Very high	88.6	Confident	95 Å²	95	42.5 Å²	42.5	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-87.8	-11.7	-177.3	-43.2	-71.4	0	0	0	113.1	D398 N425 S430 R431 W472	D398-F427 HydrophobicContact CB-CE1 4.09Å; D398-F427 HydrophobicContact CB-CZ 4.18Å; D398-F427 VanDerWaalsContact OD2-CE1 3.26Å; D398-F427 WeakPolarHBondContact OD2-CE1 3.12Å; N425-F427 PolarHBondContact O-N 2.78Å; N425-F427 VanDerWaalsContact O-N 3.13Å; N425-F427 WeakPolarHBondContact OD1-CD2 3.25Å; N425-F427 PolarHBondContact OD1-N 2.78Å; F427-S430 PolarHBondContact O-OG 3.49Å; F427-R431 WeakPolarHBondContact O-CB 3.15Å; F427-R431 PolarHBondContact O-N 2.95Å; F427-R431 VanDerWaalsContact O-N 3.13Å; F427-W472 HydrophobicContact CB-CH2 4Å
428	F	98.2	Very high	85.6	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-57.1	-177.8	168.1	-106.5	0	0	0	111.6	F424 N425 S430 R431 L432 V469 W472 I486 Y606	F424-F428 HydrophobicContact CB-CB 3.84Å; F424-F428 HydrophobicContact CB-CD1 4.07Å; F424-F428 HydrophobicContact CB-CG 4.04Å; F424-F428 HydrophobicContact CD1-CB 3.62Å; F424-F428 AromaticContact CD1-CD1 3.8Å; F424-F428 HydrophobicContact CD1-CD1 3.8Å; F424-F428 AromaticContact CD1-CD2 3.35Å; F424-F428 HydrophobicContact CD1-CD2 3.35Å; F424-F428 HydrophobicContact CD1-CE1 4.32Å; F424-F428 AromaticContact CD1-CE2 3.92Å; F424-F428 HydrophobicContact CD1-CE2 3.92Å; F424-F428 AromaticContact CD1-CG 3.27Å; F424-F428 HydrophobicContact CD1-CG 3.27Å; F424-F428 HydrophobicContact CD1-CZ 4.37Å; F424-F428 AromaticContact CD2-CD1 3.93Å; F424-F428 HydrophobicContact CD2-CD1 3.93Å; F424-F428 HydrophobicContact CD2-CE1 4.03Å; F424-F428 HydrophobicContact CD2-CG 4.27Å; F424-F428 HydrophobicContact CD2-CZ 4.45Å; F424-F428 HydrophobicContact CE1-CB 4.39Å; F424-F428 HydrophobicContact CE1-CD1 4.12Å; F424-F428 AromaticContact CE1-CD2 3.2Å; F424-F428 HydrophobicContact CE1-CD2 3.2Å; F424-F428 HydrophobicContact CE1-CE1 4.23Å; F424-F428 AromaticContact CE1-CE2 3.32Å; F424-F428 HydrophobicContact CE1-CE2 3.32Å; F424-F428 AromaticContact CE1-CG 3.63Å; F424-F428 HydrophobicContact CE1-CG 3.63Å; F424-F428 AromaticContact CE1-CZ 3.86Å; F424-F428 HydrophobicContact CE1-CZ 3.86Å; F424-F428 HydrophobicContact CE2-CD1 4.24Å; F424-F428 AromaticContact CE2-CE1 3.92Å; F424-F428 HydrophobicContact CE2-CE1 3.92Å; F424-F428 HydrophobicContact CE2-CE2 4.27Å; F424-F428 AromaticContact CE2-CZ 3.94Å; F424-F428 HydrophobicContact CE2-CZ 3.94Å; F424-F428 HydrophobicContact CG-CB 3.94Å; F424-F428 AromaticContact CG-CD1 3.67Å; F424-F428 HydrophobicContact CG-CD1 3.67Å; F424-F428 HydrophobicContact CG-CD2 4.12Å; F424-F428 HydrophobicContact CG-CE1 4.21Å; F424-F428 AromaticContact CG-CG 3.61Å; F424-F428 HydrophobicContact CG-CG 3.61Å; F424-F428 HydrophobicContact CZ-CD1 4.32Å; F424-F428 AromaticContact CZ-CD2 3.87Å; F424-F428 HydrophobicContact CZ-CD2 3.87Å; F424-F428 HydrophobicContact CZ-CE1 4.02Å; F424-F428 AromaticContact CZ-CE2 3.52Å; F424-F428 HydrophobicContact CZ-CE2 3.52Å; F424-F428 HydrophobicContact CZ-CG 4.25Å; F424-F428 AromaticContact CZ-CZ 3.6Å; F424-F428 HydrophobicContact CZ-CZ 3.6Å; N425-F428 PolarHBondContact O-N 3.39Å; N425-F428 PolarHBondContact OD1-N 3.26Å; F428-S430 PolarHBondContact O-N 3.19Å; F428-R431 PolarHBondContact O-N 3.35Å; F428-L432 HydrophobicContact CE1-CD2 4.11Å; F428-L432 HydrophobicContact CZ-CD2 3.96Å; F428-L432 WeakPolarHBondContact O-CB 3.45Å; F428-L432 PolarHBondContact O-N 2.87Å; F428-V469 HydrophobicContact CD2-CB 4.06Å; F428-V469 HydrophobicContact CD2-CG1 4.03Å; F428-V469 HydrophobicContact CD2-CG2 4.44Å; F428-V469 HydrophobicContact CE2-CB 3.84Å; F428-V469 HydrophobicContact CE2-CG1 4.16Å; F428-V469 HydrophobicContact CE2-CG2 3.75Å; F428-W472 HydrophobicContact CB-CE3 3.96Å; F428-W472 HydrophobicContact CB-CH2 4.02Å; F428-W472 HydrophobicContact CB-CZ3 3.52Å; F428-W472 HydrophobicContact CD2-CD2 4.29Å; F428-W472 HydrophobicContact CD2-CE3 4.02Å; F428-W472 HydrophobicContact CD2-CZ3 4.41Å; F428-W472 HydrophobicContact CG-CE3 4.45Å; F428-W472 HydrophobicContact CG-CZ3 4.45Å; F428-I486 HydrophobicContact CD1-CG2 4Å; F428-I486 HydrophobicContact CE1-CD1 4.37Å; F428-I486 HydrophobicContact CE1-CG2 4.3Å; F428-Y606 HydrophobicContact CE1-CE1 4.5Å; F428-Y606 HydrophobicContact CE2-CD2 4.42Å; F428-Y606 HydrophobicContact CE2-CE1 4.26Å; F428-Y606 AromaticContact CE2-CE2 3.95Å; F428-Y606 HydrophobicContact CE2-CE2 3.95Å; F428-Y606 AromaticContact CE2-CZ 3.87Å; F428-Y606 AromaticContact CZ-CD1 3.77Å; F428-Y606 HydrophobicContact CZ-CD1 3.77Å; F428-Y606 AromaticContact CZ-CD2 4Å; F428-Y606 HydrophobicContact CZ-CD2 4Å; F428-Y606 AromaticContact CZ-CE1 3.58Å; F428-Y606 HydrophobicContact CZ-CE1 3.58Å; F428-Y606 AromaticContact CZ-CE2 3.86Å; F428-Y606 HydrophobicContact CZ-CE2 3.86Å; F428-Y606 AromaticContact CZ-CG 3.97Å; F428-Y606 HydrophobicContact CZ-CG 3.97Å; F428-Y606 AromaticContact CZ-CZ 3.65Å
429	Y	97.7	Very high	82.4	Confident	8 Å²	8	50.3 Å²	50.3	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-44.3	-171.4	-178.1	-86	0	0	0	111.5	R431 L432 A433 I486 I488 E490 N599 V602 I603	Y429-R431 VanDerWaalsContact C-N 3.3Å; Y429-R431 PolarHBondContact O-N 3.13Å; Y429-L432 WeakPolarHBondContact O-CB 3.38Å; Y429-L432 PolarHBondContact O-N 2.91Å; Y429-A433 HydrophobicContact CE1-CB 4.19Å; Y429-A433 WeakPolarHBondContact O-CB 3.45Å; Y429-A433 PolarHBondContact O-N 3.49Å; Y429-I486 HydrophobicContact CD2-CG2 4.23Å; Y429-I488 HydrophobicContact CD1-CB 4.36Å; Y429-I488 HydrophobicContact CD1-CG1 4.21Å; Y429-I488 HydrophobicContact CD1-CG2 3.45Å; Y429-I488 VanDerWaalsContact CD1-CG2 3.45Å; Y429-I488 HydrophobicContact CD2-CD1 3.72Å; Y429-I488 HydrophobicContact CD2-CG1 3.8Å; Y429-I488 HydrophobicContact CD2-CG2 4.43Å; Y429-I488 HydrophobicContact CE1-CG2 3.61Å; Y429-I488 HydrophobicContact CE2-CD1 3.82Å; Y429-I488 HydrophobicContact CE2-CG1 4.33Å; Y429-I488 HydrophobicContact CG-CB 4.35Å; Y429-I488 HydrophobicContact CG-CD1 4.16Å; Y429-I488 HydrophobicContact CG-CG1 3.74Å; Y429-I488 HydrophobicContact CG-CG2 3.9Å; Y429-E490 WeakPolarHBondContact CE1-OE1 3.13Å; Y429-E490 PolarHBondContact OH-OE1 3.35Å; Y429-N599 WeakPolarHBondContact OH-CA 3.45Å; Y429-N599 PolarHBondContact OH-ND2 3.4Å; Y429-V602 HydrophobicContact CD2-CG1 4.48Å; Y429-V602 HydrophobicContact CE2-CB 4.15Å; Y429-V602 HydrophobicContact CE2-CG1 3.75Å; Y429-I603 HydrophobicContact CE2-CG1 4.33Å
430	S	93	Very high	79.2	Confident	59 Å²	59	53.5 Å²	53.5	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-40.1	177.3	59.6	0	0	0	0	111.6	F427 F428 A433 S434	F427-S430 PolarHBondContact O-OG 3.49Å; F428-S430 PolarHBondContact O-N 3.19Å; S430-A433 PolarHBondContact O-N 2.72Å; S430-S434 WeakPolarHBondContact O-CB 3.34Å; S430-S434 PolarHBondContact O-N 2.91Å; S430-S434 PolarHBondContact O-OG 3.44Å
431	R	95.4	Very high	76	Confident	124 Å²	124	60.4 Å²	60.4	47%	0.468	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-39.1	176.7	-175.5	59	179.9	162.8	5.1	112.8	F427 F428 Y429 N468 V469	F427-R431 WeakPolarHBondContact O-CB 3.15Å; F427-R431 PolarHBondContact O-N 2.95Å; F427-R431 VanDerWaalsContact O-N 3.13Å; F428-R431 PolarHBondContact O-N 3.35Å; Y429-R431 VanDerWaalsContact C-N 3.3Å; Y429-R431 PolarHBondContact O-N 3.13Å; R431-N468 HydrophobicContact CG-CB 4.2Å; R431-V469 HydrophobicContact CB-CG1 3.91Å; R431-V469 HydrophobicContact CG-CG1 3.74Å
432	L	95.5	Very high	72.7	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-50.9	174	172.9	66.7	0	0	0	110.5	F428 Y429 S434 Q465 V469 V602 Y606	F428-L432 HydrophobicContact CE1-CD2 4.11Å; F428-L432 HydrophobicContact CZ-CD2 3.96Å; F428-L432 WeakPolarHBondContact O-CB 3.45Å; F428-L432 PolarHBondContact O-N 2.87Å; Y429-L432 WeakPolarHBondContact O-CB 3.38Å; Y429-L432 PolarHBondContact O-N 2.91Å; L432-S434 VanDerWaalsContact C-N 3.34Å; L432-S434 PolarHBondContact O-N 3.01Å; L432-Q465 HydrophobicContact CD1-CB 4.07Å; L432-Q465 WeakPolarHBondContact O-CB 3.15Å; L432-Q465 WeakPolarHBondContact O-CG 3.17Å; L432-V469 HydrophobicContact CB-CG1 4.07Å; L432-V469 HydrophobicContact CB-CG2 4.24Å; L432-V469 HydrophobicContact CD1-CG2 3.77Å; L432-V602 HydrophobicContact CD2-CG1 3.61Å; L432-V602 HydrophobicContact CG-CG1 3.95Å; L432-Y606 HydrophobicContact CD1-CD2 3.9Å; L432-Y606 HydrophobicContact CD1-CG 4.37Å; L432-Y606 HydrophobicContact CD2-CD2 4.26Å; L432-Y606 HydrophobicContact CD2-CG 4.01Å
433	A	90.1	Very high	69.3	Low	37 Å²	37	75.2 Å²	75.2	31%	0.306	41%	0.406	S	S	.	.	H	α-helix	trans	-70.7	-25.2	-176.4	0	0	0	0	0	113.9	Y429 S430 G435	Y429-A433 HydrophobicContact CE1-CB 4.19Å; Y429-A433 WeakPolarHBondContact O-CB 3.45Å; Y429-A433 PolarHBondContact O-N 3.49Å; S430-A433 PolarHBondContact O-N 2.72Å; A433-G435 PolarHBondContact O-N 2.94Å; A433-G435 VanDerWaalsContact O-N 3.14Å
434	S	81.9	Confident	65.8	Low	78 Å²	78	77.1 Å²	77.1	55%	0.545	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-63.8	-17.7	-179	-66	0	0	0	0	114.4	S430 L432 G436	S430-S434 WeakPolarHBondContact O-CB 3.34Å; S430-S434 PolarHBondContact O-N 2.91Å; S430-S434 PolarHBondContact O-OG 3.44Å; L432-S434 VanDerWaalsContact C-N 3.34Å; L432-S434 PolarHBondContact O-N 3.01Å; S434-G436 PolarHBondContact O-N 3.25Å
435	G	60.4	Low	62.3	Low	13 Å²	13	82.8 Å²	82.8	13%	0.134	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-79.6	-2.4	-169.4	0	0	0	0	0	117.2	A433 Y437 N468	A433-G435 PolarHBondContact O-N 2.94Å; A433-G435 VanDerWaalsContact O-N 3.14Å; G435-Y437 VanDerWaalsContact C-N 3.29Å; G435-Y437 PolarHBondContact O-N 2.92Å; G435-N468 WeakPolarHBondContact CA-ND2 3.5Å
436	G	49.3	Very low	58.9	Low	34 Å²	34	84.6 Å²	84.6	35%	0.351	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-74	-10.4	-175.1	0	0	0	0	0	115.9	S434	S434-G436 PolarHBondContact O-N 3.25Å
437	Y	40.4	Very low	55.7	Low	157 Å²	157	91.5 Å²	91.5	62%	0.616	52%	0.523	S	S	*	.			trans	-118.2	92.9	-172.2	-71.4	-81.8	0	0	0	112.2	G435 N450	G435-Y437 VanDerWaalsContact C-N 3.29Å; G435-Y437 PolarHBondContact O-N 2.92Å; Y437-N450 PolarHBondContact OH-O 2.89Å
438	I	29.6	Very low	52.7	Low	152 Å²	152	90.2 Å²	90.2	78%	0.779	53%	0.526	S	S	*	.			trans	-108.2	83.1	154.2	-53.6	177.4	0	0	0	106.5
439	S	28	Very low	49.7	Very low	103 Å²	103	94 Å²	94	72%	0.72	55%	0.549	S	S	*	.			trans	-116.3	100.3	158.6	-63.1	0	0	0	0	107.3	D441	S439-D441 PolarHBondContact O-N 3.13Å
440	S	25.4	Very low	46.8	Very low	112 Å²	112	99 Å²	99	78%	0.783	58%	0.576	S	S	*	*			trans	-61.2	86.6	159.8	163.3	0	0	0	0	107.7
441	D	26.8	Very low	44.5	Very low	151 Å²	151	100.2 Å²	100.2	81%	0.807	58%	0.578	S	S	*	*			trans	-140.8	128.9	160.8	-91.4	-35.2	0	0	0	111.8	S439 R443	S439-D441 PolarHBondContact O-N 3.13Å; D441-R443 PolarHBondContact O-N 3.13Å; D441-R443 VanDerWaalsContact O-N 3.11Å
442	V	27.5	Very low	41.8	Very low	121 Å²	121	97.4 Å²	97.4	73%	0.733	58%	0.576	S	S	*	*	S	Bend	trans	-72.6	94.8	-172.2	176.7	0	0	0	0	110
443	R	27.1	Very low	39.3	Very low	227 Å²	227	104.5 Å²	104.5	86%	0.857	61%	0.606	S	S	*	*	S	Bend	trans	155.8	117.7	145.7	-93.5	159.6	-98.5	-129.1	-3.6	111.1	D441	D441-R443 PolarHBondContact O-N 3.13Å; D441-R443 VanDerWaalsContact O-N 3.11Å
444	G	26	Very low	37.5	Very low	75 Å²	75	105.6 Å²	105.6	77%	0.773	61%	0.612	S	S	*	*			trans	65.2	82.4	155.2	0	0	0	0	0	116	T446	G444-T446 PolarHBondContact O-N 3.32Å
445	S	24.3	Very low	35.9	Very low	121 Å²	121	107.4 Å²	107.4	85%	0.846	62%	0.624	S	S	*	*			trans	-73.2	96.3	173.7	-175.4	0	0	0	0	110.8
446	T	25.4	Very low	35.8	Very low	100 Å²	100	114.6 Å²	114.6	61%	0.613	65%	0.654	S	S	*	*			trans	-80.9	117.3	158.4	47	0	0	0	0	107.8	G444 S448	G444-T446 PolarHBondContact O-N 3.32Å; T446-S448 VanDerWaalsContact C-N 3.32Å; T446-S448 PolarHBondContact O-N 2.66Å
447	I	31.4	Very low	36.9	Very low	152 Å²	152	115 Å²	115	78%	0.779	65%	0.648	S	S	*	*			trans	-62.9	92.9	173.2	-58.5	168.6	0	0	0	107.5	T449	I447-T449 HydrophobicContact CG2-CG2 4.25Å
448	S	32.3	Very low	38.9	Very low	68 Å²	68	110.5 Å²	110.5	48%	0.476	64%	0.637	S	S	.	*			trans	-83.4	110.5	164.6	-101	0	0	0	0	107.5	T446 N450	T446-S448 VanDerWaalsContact C-N 3.32Å; T446-S448 PolarHBondContact O-N 2.66Å; S448-N450 PolarHBondContact O-N 3.31Å
449	T	36.9	Very low	41.6	Very low	80 Å²	80	109.6 Å²	109.6	49%	0.491	63%	0.634	S	S	.	*			trans	-69.5	16.1	177.5	45.2	0	0	0	0	114	H292 I447 L451	H292-T449 PolarHBondContact CE1-OG1 3.34Å; H292-T449 PolarHBondContact NE2-OG1 3.21Å; I447-T449 HydrophobicContact CG2-CG2 4.25Å; T449-L451 PolarHBondContact O-N 3.5Å
450	N	36.5	Very low	44.4	Very low	113 Å²	113	111.3 Å²	111.3	60%	0.604	63%	0.63	S	S	*	*			trans	-75.8	91.8	176.1	-64.2	-43.4	0	0	0	108.5	Y437 S448	Y437-N450 PolarHBondContact OH-O 2.89Å; S448-N450 PolarHBondContact O-N 3.31Å
451	L	44.4	Very low	47.5	Very low	85 Å²	85	107.9 Å²	107.9	45%	0.445	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-52.9	130.2	162	-168.2	72.1	0	0	0	107.6	T449	T449-L451 PolarHBondContact O-N 3.5Å
452	P	39.2	Very low	50.5	Low	64 Å²	64	101.9 Å²	101.9	42%	0.416	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-56.9	144.8	-178	20.1	-30.1	0	0	0	110.5	S454 I457	P452-S454 PolarHBondContact O-N 3.47Å; P452-I457 HydrophobicContact CG-CG1 4.11Å
453	K	43.1	Very low	53.6	Low	152 Å²	152	102.8 Å²	102.8	66%	0.661	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-51.2	133.9	168.6	-69.6	-179.2	178.7	-179.9	0	107.8	S455 E456	K453-S455 PolarHBondContact O-N 3.33Å; K453-E456 PolarHBondContact O-N 3.13Å
454	S	50.7	Low	56.7	Low	60 Å²	60	93.4 Å²	93.4	42%	0.42	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-45.9	-17.5	-169.9	50.8	0	0	0	0	117.4	P452	P452-S454 PolarHBondContact O-N 3.47Å
455	S	50	Low	59.9	Low	115 Å²	115	90.6 Å²	90.6	80%	0.804	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-84.1	-2.1	-175.5	-63.6	0	0	0	0	116.5	K453	K453-S455 PolarHBondContact O-N 3.33Å
456	E	58.1	Low	63.3	Low	164 Å²	164	85 Å²	85	77%	0.766	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-126.4	17.8	-179.6	-73.4	-175.7	178.6	0	0	115.2	K453 T458	K453-E456 PolarHBondContact O-N 3.13Å; E456-T458 PolarHBondContact O-N 2.93Å
457	I	71.7	Confident	66.6	Low	43 Å²	43	83 Å²	83	22%	0.221	46%	0.458	C	S	.	.			trans	-78.5	109.5	170	-61.2	179.4	0	0	0	107.9	P452 T461 I462	P452-I457 HydrophobicContact CG-CG1 4.11Å; I457-T461 VanDerWaalsContact CG2-OG1 3.27Å; I457-T461 WeakPolarHBondContact CG2-OG1 3.49Å; I457-I462 HydrophobicContact CG2-CD1 3.97Å; I457-I462 HydrophobicContact CG2-CG1 3.61Å
458	T	82.2	Confident	69.7	Low	63 Å²	63	78.1 Å²	78.1	39%	0.387	43%	0.434	S	S	.	.			trans	-87.6	159.2	-179.9	79.3	0	0	0	0	111.8	E456 E460 T461 I462	E456-T458 PolarHBondContact O-N 2.93Å; T458-E460 WeakPolarHBondContact CB-OE2 3.45Å; T458-E460 PolarHBondContact O-N 2.76Å; T458-E460 PolarHBondContact OG1-N 3.26Å; T458-E460 PolarHBondContact OG1-OE2 2.92Å; T458-T461 PolarHBondContact N-OG1 3.39Å; T458-T461 PolarHBondContact O-N 3.36Å; T458-T461 PolarHBondContact O-OG1 2.97Å; T458-T461 PolarHBondContact OG1-N 3Å; T458-I462 PolarHBondContact O-N 3.41Å; T458-I462 VanDerWaalsContact O-N 3.16Å
459	D	86.6	Confident	72.8	Confident	133 Å²	133	74.9 Å²	74.9	71%	0.711	41%	0.411	S	S	*	.	H	α-helix	trans	-56.2	-32.4	176	-73	-29.7	0	0	0	112.1	I462 F463	D459-I462 PolarHBondContact O-N 3.36Å; D459-F463 WeakPolarHBondContact O-CB 3.39Å; D459-F463 PolarHBondContact O-N 3.43Å
460	E	87.8	Confident	75.5	Confident	138 Å²	138	72 Å²	72	65%	0.645	40%	0.395	S	S	*	.	H	α-helix	trans	-64.7	-40.2	175	-59.9	78.3	-167	0	0	112.2	T458 F463 A464	T458-E460 WeakPolarHBondContact CB-OE2 3.45Å; T458-E460 PolarHBondContact O-N 2.76Å; T458-E460 PolarHBondContact OG1-N 3.26Å; T458-E460 PolarHBondContact OG1-OE2 2.92Å; E460-F463 PolarHBondContact O-N 3.26Å; E460-A464 WeakPolarHBondContact O-CB 3.32Å; E460-A464 PolarHBondContact O-N 2.73Å
461	T	88.6	Confident	78.4	Confident	41 Å²	41	75.2 Å²	75.2	25%	0.252	40%	0.404	S	S	.	.	H	α-helix	trans	-68	-40.9	178	65.3	0	0	0	0	111.7	I457 T458 F463 A464 Q465	I457-T461 VanDerWaalsContact CG2-OG1 3.27Å; I457-T461 WeakPolarHBondContact CG2-OG1 3.49Å; T458-T461 PolarHBondContact N-OG1 3.39Å; T458-T461 PolarHBondContact O-N 3.36Å; T458-T461 PolarHBondContact O-OG1 2.97Å; T458-T461 PolarHBondContact OG1-N 3Å; T461-F463 VanDerWaalsContact C-N 3.34Å; T461-A464 PolarHBondContact O-N 3.28Å; T461-Q465 WeakPolarHBondContact O-CG 3.15Å; T461-Q465 PolarHBondContact O-N 3.44Å
462	I	91.4	Very high	80.8	Confident	25 Å²	25	75 Å²	75	13%	0.128	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-44.7	176	-64.3	171.8	0	0	0	109.8	I457 T458 D459 Q465 H466 N605 A609	I457-I462 HydrophobicContact CG2-CD1 3.97Å; I457-I462 HydrophobicContact CG2-CG1 3.61Å; T458-I462 PolarHBondContact O-N 3.41Å; T458-I462 VanDerWaalsContact O-N 3.16Å; D459-I462 PolarHBondContact O-N 3.36Å; I462-Q465 PolarHBondContact O-N 3.34Å; I462-H466 WeakPolarHBondContact O-CB 3.43Å; I462-H466 PolarHBondContact O-N 2.71Å; I462-N605 HydrophobicContact CD1-CB 4.16Å; I462-N605 HydrophobicContact CG1-CB 4.09Å; I462-N605 HydrophobicContact CG2-CB 3.98Å; I462-A609 HydrophobicContact CG2-CB 3.96Å
463	F	91.2	Very high	83.5	Confident	140 Å²	140	72.1 Å²	72.1	61%	0.614	38%	0.379	S	S	*	.	H	α-helix	trans	-61.4	-44	176.4	-179.1	-95.1	0	0	0	112.1	D459 E460 T461 H466 A467	D459-F463 WeakPolarHBondContact O-CB 3.39Å; D459-F463 PolarHBondContact O-N 3.43Å; E460-F463 PolarHBondContact O-N 3.26Å; T461-F463 VanDerWaalsContact C-N 3.34Å; F463-H466 PolarHBondContact O-N 3.39Å; F463-A467 WeakPolarHBondContact O-CB 3.47Å; F463-A467 PolarHBondContact O-N 3.46Å
464	A	91.9	Very high	85.8	Confident	30 Å²	30	74.4 Å²	74.4	25%	0.248	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-41.7	177.5	0	0	0	0	0	112.5	E460 T461 A467 N468	E460-A464 WeakPolarHBondContact O-CB 3.32Å; E460-A464 PolarHBondContact O-N 2.73Å; T461-A464 PolarHBondContact O-N 3.28Å; A464-A467 PolarHBondContact O-N 2.96Å; A464-N468 PolarHBondContact O-N 2.94Å; A464-N468 PolarHBondContact O-ND2 3.16Å
465	Q	93.8	Very high	87.8	Confident	15 Å²	15	82.5 Å²	82.5	7%	0.07	40%	0.404	C	S	.	.	H	α-helix	trans	-61.9	-47.9	173.9	-73.5	179.8	-2.8	0	0	111.5	L432 T461 I462 A467 N468	L432-Q465 HydrophobicContact CD1-CB 4.07Å; L432-Q465 WeakPolarHBondContact O-CB 3.15Å; L432-Q465 WeakPolarHBondContact O-CG 3.17Å; T461-Q465 WeakPolarHBondContact O-CG 3.15Å; T461-Q465 PolarHBondContact O-N 3.44Å; I462-Q465 PolarHBondContact O-N 3.34Å; Q465-A467 PolarHBondContact O-N 2.86Å; Q465-N468 WeakPolarHBondContact O-CB 2.89Å; Q465-N468 PolarHBondContact O-N 2.94Å
466	H	96.3	Very high	89.8	Confident	4 Å²	4	79.1 Å²	79.1	2%	0.019	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-43.8	176.9	177.7	-88.7	0	0	0	112	I462 F463 N468 V469 A470 Y606 A609 E610	I462-H466 WeakPolarHBondContact O-CB 3.43Å; I462-H466 PolarHBondContact O-N 2.71Å; F463-H466 PolarHBondContact O-N 3.39Å; H466-N468 PolarHBondContact O-N 2.89Å; H466-N468 VanDerWaalsContact O-N 3.11Å; H466-V469 CarbonylContact O-C 3.52Å; H466-V469 WeakPolarHBondContact O-CG2 3.44Å; H466-V469 PolarHBondContact O-N 3.48Å; H466-A470 PolarHBondContact O-N 3.42Å; H466-Y606 AromaticContact CD2-CD2 3.85Å; H466-Y606 AromaticContact CD2-CE2 3.79Å; H466-A609 HydrophobicContact CB-CB 3.65Å; H466-E610 IonicContact CD2-OE2 2.77Å; H466-E610 IonicContact CE1-OE2 3.68Å; H466-E610 IonicContact NE2-OE2 3.27Å; H466-E610 PolarHBondContact NE2-OE2 3.22Å
467	A	95.1	Very high	91.6	Very high	57 Å²	57	74 Å²	74	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-56.8	-30.1	179	0	0	0	0	0	113.1	F463 A464 Q465 V469	F463-A467 WeakPolarHBondContact O-CB 3.47Å; F463-A467 PolarHBondContact O-N 3.46Å; A464-A467 PolarHBondContact O-N 2.96Å; Q465-A467 PolarHBondContact O-N 2.86Å; A467-V469 PolarHBondContact O-N 3.26Å
468	N	95.8	Very high	92.8	Very high	50 Å²	50	72 Å²	72	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.6	176.4	-68.9	-39.6	0	0	0	113.8	R431 G435 A464 Q465 H466	R431-N468 HydrophobicContact CG-CB 4.2Å; G435-N468 WeakPolarHBondContact CA-ND2 3.5Å; A464-N468 PolarHBondContact O-N 2.94Å; A464-N468 PolarHBondContact O-ND2 3.16Å; Q465-N468 WeakPolarHBondContact O-CB 2.89Å; Q465-N468 PolarHBondContact O-N 2.94Å; H466-N468 PolarHBondContact O-N 2.89Å; H466-N468 VanDerWaalsContact O-N 3.11Å
469	V	96.6	Very high	93.5	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-1.7	-175.8	-63.2	0	0	0	0	113.7	F428 R431 L432 H466 A467 K471 W472 Y606	F428-V469 HydrophobicContact CD2-CB 4.06Å; F428-V469 HydrophobicContact CD2-CG1 4.03Å; F428-V469 HydrophobicContact CD2-CG2 4.44Å; F428-V469 HydrophobicContact CE2-CB 3.84Å; F428-V469 HydrophobicContact CE2-CG1 4.16Å; F428-V469 HydrophobicContact CE2-CG2 3.75Å; R431-V469 HydrophobicContact CB-CG1 3.91Å; R431-V469 HydrophobicContact CG-CG1 3.74Å; L432-V469 HydrophobicContact CB-CG1 4.07Å; L432-V469 HydrophobicContact CB-CG2 4.24Å; L432-V469 HydrophobicContact CD1-CG2 3.77Å; H466-V469 CarbonylContact O-C 3.52Å; H466-V469 WeakPolarHBondContact O-CG2 3.44Å; H466-V469 PolarHBondContact O-N 3.48Å; A467-V469 PolarHBondContact O-N 3.26Å; V469-K471 PolarHBondContact O-N 2.85Å; V469-W472 HydrophobicContact CB-CG 4.36Å; V469-W472 VanDerWaalsContact O-CB 3.22Å; V469-W472 WeakPolarHBondContact O-CB 3.34Å; V469-W472 PolarHBondContact O-N 2.57Å; V469-Y606 HydrophobicContact CG2-CD2 4.08Å; V469-Y606 HydrophobicContact CG2-CE2 3.83Å
470	A	95.4	Very high	93.9	Very high	19 Å²	19	64 Å²	64	16%	0.157	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.7	-174.7	0	0	0	0	0	114.4	H466 W472 R614	H466-A470 PolarHBondContact O-N 3.42Å; A470-W472 VanDerWaalsContact C-N 3.3Å; A470-W472 PolarHBondContact O-N 3.4Å; A470-R614 PolarHBondContact O-NH2 3.38Å
471	K	95.7	Very high	94.3	Very high	181 Å²	181	58.8 Å²	58.8	79%	0.787	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.5	178.4	-69.2	-178.1	-178.6	174.9	0	113.8	V469 T473 R474	V469-K471 PolarHBondContact O-N 2.85Å; K471-T473 VanDerWaalsContact C-N 3.35Å; K471-T473 PolarHBondContact O-N 3.5Å; K471-R474 WeakPolarHBondContact O-CB 3.06Å; K471-R474 PolarHBondContact O-N 3.26Å
472	W	95.9	Very high	94.7	Very high	82 Å²	82	57 Å²	57	31%	0.311	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-35.2	-171.4	-70.5	52.7	0	0	0	112.6	Y422 F424 N425 F427 F428 V469 A470	Y422-W472 PolarHBondContact OH-O 2.73Å; F424-W472 AromaticContact CD1-CE3 3.99Å; F424-W472 HydrophobicContact CD1-CE3 3.99Å; F424-W472 HydrophobicContact CD1-CZ3 4.47Å; F424-W472 HydrophobicContact CE1-CB 4.34Å; F424-W472 HydrophobicContact CE1-CE3 4.31Å; N425-W472 WeakPolarHBondContact OD1-CH2 3.39Å; N425-W472 WeakPolarHBondContact OD1-CZ3 3.18Å; F427-W472 HydrophobicContact CB-CH2 4Å; F428-W472 HydrophobicContact CB-CE3 3.96Å; F428-W472 HydrophobicContact CB-CH2 4.02Å; F428-W472 HydrophobicContact CB-CZ3 3.52Å; F428-W472 HydrophobicContact CD2-CD2 4.29Å; F428-W472 HydrophobicContact CD2-CE3 4.02Å; F428-W472 HydrophobicContact CD2-CZ3 4.41Å; F428-W472 HydrophobicContact CG-CE3 4.45Å; F428-W472 HydrophobicContact CG-CZ3 4.45Å; V469-W472 HydrophobicContact CB-CG 4.36Å; V469-W472 VanDerWaalsContact O-CB 3.22Å; V469-W472 WeakPolarHBondContact O-CB 3.34Å; V469-W472 PolarHBondContact O-N 2.57Å; A470-W472 VanDerWaalsContact C-N 3.3Å; A470-W472 PolarHBondContact O-N 3.4Å
473	T	95.6	Very high	95	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.018	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	12.4	-179.9	49.8	0	0	0	0	113.1	Y422 F424 K471 R475 V476 L478 Y606 E610	Y422-T473 HydrophobicContact CE1-CG2 4.39Å; F424-T473 HydrophobicContact CE1-CG2 4.2Å; F424-T473 HydrophobicContact CZ-CG2 3.89Å; K471-T473 VanDerWaalsContact C-N 3.35Å; K471-T473 PolarHBondContact O-N 3.5Å; T473-R475 PolarHBondContact O-N 3.13Å; T473-V476 PolarHBondContact O-N 3.46Å; T473-L478 HydrophobicContact CG2-CD1 3.73Å; T473-L478 HydrophobicContact CG2-CD2 3.92Å; T473-L478 HydrophobicContact CG2-CG 3.75Å; T473-Y606 VanDerWaalsContact CG2-OH 3.26Å; T473-Y606 WeakPolarHBondContact CG2-OH 3.48Å; T473-E610 WeakPolarHBondContact CB-OE1 3.43Å; T473-E610 PolarHBondContact OG1-OE1 2.97Å; T473-E610 PolarHBondContact OG1-OE2 3.1Å
474	R	92.3	Very high	95.3	Very high	200 Å²	200	50.3 Å²	50.3	76%	0.755	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.3	-176.2	-178.9	176.3	175.3	-175	0.5	113.9	K471	K471-R474 WeakPolarHBondContact O-CB 3.06Å; K471-R474 PolarHBondContact O-N 3.26Å
475	R	90.9	Very high	95.6	Very high	229 Å²	229	49 Å²	49	86%	0.864	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	12.6	-178.7	-64.7	-171.8	-67.5	-109.1	-1.2	113.5	T473	T473-R475 PolarHBondContact O-N 3.13Å
476	V	93.1	Very high	95.9	Very high	45 Å²	45	48.4 Å²	48.4	27%	0.273	22%	0.223	S	C	.	.			trans	-138	126	-177.8	-179.2	0	0	0	0	109.2	Y422 T473 L478	Y422-V476 HydrophobicContact CD2-CB 4.35Å; Y422-V476 HydrophobicContact CD2-CG1 3.71Å; Y422-V476 HydrophobicContact CD2-CG2 4.3Å; Y422-V476 HydrophobicContact CE2-CB 4.09Å; Y422-V476 HydrophobicContact CE2-CG1 3.97Å; Y422-V476 HydrophobicContact CE2-CG2 3.84Å; Y422-V476 HydrophobicContact CG-CG1 4.41Å; T473-V476 PolarHBondContact O-N 3.46Å; V476-L478 HydrophobicContact CG1-CD2 4.44Å; V476-L478 PolarHBondContact O-N 3.09Å
477	D	94.6	Very high	96	Very high	56 Å²	56	48.2 Å²	48.2	30%	0.299	22%	0.222	S	C	.	.			trans	-79.5	111.4	165.8	-175.6	8	0	0	0	108.9	F479 S480 R615	D477-F479 VanDerWaalsContact C-N 3.25Å; D477-F479 PolarHBondContact OD1-N 3.46Å; D477-S480 PolarHBondContact O-OG 3.38Å; D477-S480 VanDerWaalsContact O-OG 3.11Å; D477-R615 IonicContact OD1-NH1 3.59Å; D477-R615 IonicContact OD2-CZ 2.66Å; D477-R615 IonicContact OD2-NE 2.62Å; D477-R615 IonicContact OD2-NH1 3.56Å; D477-R615 PolarHBondContact OD2-NH1 2.79Å
478	L	97.3	Very high	96.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-68.8	-27.5	174.9	-69.4	-171	0	0	0	112	Y422 F424 T473 V476 S480 K481 I484 Y606 E610	Y422-L478 HydrophobicContact CD1-CD2 3.41Å; Y422-L478 VanDerWaalsContact CD1-CD2 3.41Å; Y422-L478 HydrophobicContact CD2-CD2 4.4Å; Y422-L478 HydrophobicContact CE1-CD2 3.88Å; Y422-L478 HydrophobicContact CG-CD2 3.68Å; F424-L478 HydrophobicContact CE2-CD1 4.33Å; F424-L478 HydrophobicContact CZ-CD1 4.18Å; T473-L478 HydrophobicContact CG2-CD1 3.73Å; T473-L478 HydrophobicContact CG2-CD2 3.92Å; T473-L478 HydrophobicContact CG2-CG 3.75Å; V476-L478 HydrophobicContact CG1-CD2 4.44Å; V476-L478 PolarHBondContact O-N 3.09Å; L478-S480 PolarHBondContact O-N 2.88Å; L478-K481 WeakPolarHBondContact O-CB 3.45Å; L478-K481 PolarHBondContact O-N 2.82Å; L478-I484 HydrophobicContact CB-CD1 4.01Å; L478-I484 HydrophobicContact CD1-CD1 4.19Å; L478-I484 HydrophobicContact CD2-CD1 4.26Å; L478-I484 HydrophobicContact CG-CD1 4.4Å; L478-Y606 HydrophobicContact CD1-CE1 3.68Å; L478-Y606 WeakPolarHBondContact CD1-OH 3.42Å; L478-E610 HydrophobicContact CD1-CG 4.35Å
479	F	97.2	Very high	95.8	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-88.6	13.9	-175.7	-50.7	-75.8	0	0	0	112.9	D477 P502 W503 F563 L607 E610 W611 R615 F624	D477-F479 VanDerWaalsContact C-N 3.25Å; D477-F479 PolarHBondContact OD1-N 3.46Å; F479-P502 HydrophobicContact CD1-CB 4.39Å; F479-W503 VanDerWaalsContact O-CB 3.27Å; F479-W503 WeakPolarHBondContact O-CB 3.28Å; F479-F563 HydrophobicContact CB-CZ 4.41Å; F479-L607 HydrophobicContact CE1-CD2 4.37Å; F479-L607 WeakPolarHBondContact CZ-O 3.18Å; F479-E610 HydrophobicContact CE2-CB 4.19Å; F479-E610 HydrophobicContact CE2-CG 3.89Å; F479-E610 HydrophobicContact CZ-CB 4.04Å; F479-E610 HydrophobicContact CZ-CG 4.19Å; F479-W611 HydrophobicContact CB-CE3 4.2Å; F479-W611 HydrophobicContact CB-CZ3 3.96Å; F479-W611 AromaticContact CD1-CE3 3.83Å; F479-W611 HydrophobicContact CD1-CE3 3.83Å; F479-W611 HydrophobicContact CD1-CZ3 4.35Å; F479-W611 AromaticContact CD2-CE3 3.67Å; F479-W611 HydrophobicContact CD2-CE3 3.67Å; F479-W611 HydrophobicContact CD2-CZ3 4.18Å; F479-W611 HydrophobicContact CE1-CB 4.26Å; F479-W611 HydrophobicContact CE1-CE3 4.09Å; F479-W611 HydrophobicContact CE2-CB 4.01Å; F479-W611 AromaticContact CE2-CE3 3.93Å; F479-W611 HydrophobicContact CE2-CE3 3.93Å; F479-W611 AromaticContact CG-CE3 3.61Å; F479-W611 HydrophobicContact CG-CE3 3.61Å; F479-W611 AromaticContact CG-CZ3 3.9Å; F479-W611 HydrophobicContact CG-CZ3 3.9Å; F479-W611 HydrophobicContact CZ-CB 3.67Å; F479-W611 HydrophobicContact CZ-CE3 4.14Å; F479-R615 HydrophobicContact CD2-CG 4.2Å; F479-F624 HydrophobicContact CD1-CE1 4.23Å; F479-F624 AromaticContact CD1-CZ 3.73Å; F479-F624 HydrophobicContact CD1-CZ 3.73Å; F479-F624 AromaticContact CE1-CE1 3.81Å; F479-F624 HydrophobicContact CE1-CE1 3.81Å; F479-F624 AromaticContact CE1-CE2 3.98Å; F479-F624 HydrophobicContact CE1-CE2 3.98Å; F479-F624 AromaticContact CE1-CZ 3.3Å; F479-F624 HydrophobicContact CE1-CZ 3.3Å; F479-F624 HydrophobicContact CZ-CZ 4.22Å
480	S	95.1	Very high	95.1	Very high	26 Å²	26	48.2 Å²	48.2	18%	0.182	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-106.6	-4.3	160.9	67.6	0	0	0	0	112.7	D477 L478	D477-S480 PolarHBondContact O-OG 3.38Å; D477-S480 VanDerWaalsContact O-OG 3.11Å; L478-S480 PolarHBondContact O-N 2.88Å
481	K	96.8	Very high	94.1	Very high	29 Å²	29	49.1 Å²	49.1	13%	0.126	22%	0.217	C	C	.	.			trans	-90.1	142	-177.1	-54.5	-62.5	171.2	-165.8	0	111.2	Q419 A420 L478 P502	Q419-K481 VanDerWaalsContact O-CD 3.27Å; Q419-K481 WeakPolarHBondContact O-CD 3.42Å; Q419-K481 PolarHBondContact O-NZ 3.5Å; A420-K481 CarbonylContact O-C 3.5Å; L478-K481 WeakPolarHBondContact O-CB 3.45Å; L478-K481 PolarHBondContact O-N 2.82Å; K481-P502 VanDerWaalsContact O-CD 3.3Å; K481-P502 WeakPolarHBondContact O-CD 3.14Å; K481-P502 WeakPolarHBondContact O-CG 3.13Å
482	D	95.9	Very high	93.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	19%	0.19	C	C	.	.	S	Bend	trans	-77.9	-33.4	170.6	-67.6	-16.5	0	0	0	110.9	A420 C500 Y501 W503 R570	A420-D482 HydrophobicContact CB-CB 4.15Å; A420-D482 PolarHBondContact O-N 3.47Å; D482-C500 CarbonylContact O-C 3.54Å; D482-C500 WeakPolarHBondContact O-CA 3.47Å; D482-Y501 HydrophobicContact CB-CD1 3.76Å; D482-Y501 HydrophobicContact CB-CE1 3.59Å; D482-Y501 VanDerWaalsContact CG-CE1 3.49Å; D482-Y501 PolarHBondContact O-N 3.2Å; D482-W503 PolarHBondContact OD1-NE1 3.17Å; D482-R570 IonicContact OD1-NE 3.49Å; D482-R570 IonicContact OD1-NH2 2.78Å; D482-R570 IonicContact OD2-CZ 3.84Å; D482-R570 IonicContact OD2-NE 2.76Å; D482-R570 IonicContact OD2-NH2 2.72Å; D482-R570 PolarHBondContact OD2-NH2 3.38Å
483	Y	97.7	Very high	92.5	Very high	22 Å²	22	38.1 Å²	38.1	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.8	-177.1	-55	-63.1	0	0	0	112.8	A420 T421 Y422 V499 C500 Y501 F656 F657 Y664	A420-Y483 PolarHBondContact O-N 3.25Å; T421-Y483 CarbonylContact C-O 3.52Å; T421-Y483 VanDerWaalsContact CA-O 3.29Å; T421-Y483 WeakPolarHBondContact CA-O 3.42Å; Y422-Y483 PolarHBondContact N-O 3.07Å; Y483-V499 CarbonylContact C-O 3.35Å; Y483-V499 VanDerWaalsContact CA-O 3.3Å; Y483-V499 WeakPolarHBondContact CA-O 3.46Å; Y483-C500 HydrophobicContact CD1-CB 4.29Å; Y483-C500 HydrophobicContact CE1-CB 4.24Å; Y483-Y501 HydrophobicContact CE1-CE2 4.14Å; Y483-Y501 AromaticContact CZ-CZ 3.94Å; Y483-Y501 PolarHBondContact OH-OH 3.19Å; Y483-F656 AromaticContact CD1-CE1 3.75Å; Y483-F656 HydrophobicContact CD1-CE1 3.75Å; Y483-F656 AromaticContact CD1-CZ 3.74Å; Y483-F656 HydrophobicContact CD1-CZ 3.74Å; Y483-F656 HydrophobicContact CD2-CE1 4.13Å; Y483-F656 AromaticContact CE1-CE1 3.68Å; Y483-F656 HydrophobicContact CE1-CE1 3.68Å; Y483-F656 AromaticContact CE1-CZ 3.4Å; Y483-F656 HydrophobicContact CE1-CZ 3.4Å; Y483-F656 HydrophobicContact CE2-CE1 4.04Å; Y483-F656 HydrophobicContact CE2-CZ 4.5Å; Y483-F656 AromaticContact CG-CE1 3.97Å; Y483-F656 HydrophobicContact CG-CE1 3.97Å; Y483-F656 HydrophobicContact CG-CZ 4.43Å; Y483-F656 AromaticContact CZ-CE1 3.79Å; Y483-F656 AromaticContact CZ-CZ 3.79Å; Y483-F657 HydrophobicContact CD2-CE1 4.03Å; Y483-F657 HydrophobicContact CD2-CZ 4.36Å; Y483-Y664 WeakPolarHBondContact CE1-OH 3.44Å; Y483-Y664 PolarHBondContact OH-OH 3Å; Y483-Y664 VanDerWaalsContact OH-OH 3.13Å
484	I	98.8	Very high	92.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.3	171.1	-52.5	169.8	0	0	0	108.3	Y422 F424 L478 I486 L498 V499 P502 L607	Y422-I484 HydrophobicContact CD1-CG2 4.27Å; Y422-I484 CarbonylContact O-C 3.56Å; Y422-I484 WeakPolarHBondContact O-CA 3.23Å; F424-I484 HydrophobicContact CD2-CG2 3.69Å; F424-I484 HydrophobicContact CE2-CG2 3.62Å; L478-I484 HydrophobicContact CB-CD1 4.01Å; L478-I484 HydrophobicContact CD1-CD1 4.19Å; L478-I484 HydrophobicContact CD2-CD1 4.26Å; L478-I484 HydrophobicContact CG-CD1 4.4Å; I484-I486 HydrophobicContact CG2-CD1 4.39Å; I484-I486 HydrophobicContact CG2-CG1 4.08Å; I484-L498 WeakPolarHBondContact O-CA 3.47Å; I484-V499 HydrophobicContact CB-CB 3.97Å; I484-V499 HydrophobicContact CB-CG2 4.23Å; I484-V499 HydrophobicContact CD1-CB 4.29Å; I484-V499 HydrophobicContact CG1-CB 4.39Å; I484-V499 PolarHBondContact N-O 2.65Å; I484-V499 PolarHBondContact O-N 3.14Å; I484-P502 HydrophobicContact CD1-CG 3.99Å; I484-L607 HydrophobicContact CD1-CD2 4.24Å
485	I	98.8	Very high	92.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.6	-179.9	-55.8	171.4	0	0	0	108.5	T421 Y422 L423 F424 L496 L498 V653 F657	T421-I485 HydrophobicContact CG2-CD1 3.69Å; T421-I485 HydrophobicContact CG2-CG1 3.95Å; Y422-I485 PolarHBondContact O-N 3.31Å; L423-I485 HydrophobicContact CD1-CB 3.81Å; L423-I485 HydrophobicContact CD1-CD1 4.25Å; L423-I485 HydrophobicContact CD1-CG2 3.66Å; F424-I485 PolarHBondContact N-O 2.86Å; I485-L496 HydrophobicContact CG2-CD1 3.62Å; I485-L498 HydrophobicContact CG1-CD1 3.88Å; I485-V653 HydrophobicContact CD1-CG1 3.95Å; I485-V653 HydrophobicContact CG2-CG2 4.07Å; I485-F657 HydrophobicContact CD1-CE2 3.72Å; I485-F657 HydrophobicContact CD1-CZ 4.13Å; I485-F657 HydrophobicContact CG1-CE2 4.46Å
486	I	98.8	Very high	92.9	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	95.8	-179.8	-54	173.3	0	0	0	108	F424 F428 Y429 I484 I488 G497 V499 I603	F424-I486 HydrophobicContact CD2-CG1 3.93Å; F428-I486 HydrophobicContact CD1-CG2 4Å; F428-I486 HydrophobicContact CE1-CD1 4.37Å; F428-I486 HydrophobicContact CE1-CG2 4.3Å; Y429-I486 HydrophobicContact CD2-CG2 4.23Å; I484-I486 HydrophobicContact CG2-CD1 4.39Å; I484-I486 HydrophobicContact CG2-CG1 4.08Å; I486-I488 HydrophobicContact CG2-CD1 4.25Å; I486-I488 HydrophobicContact CG2-CG1 3.85Å; I486-I488 PolarHBondContact O-N 3.41Å; I486-G497 WeakPolarHBondContact CA-O 3.48Å; I486-G497 PolarHBondContact N-O 2.89Å; I486-G497 PolarHBondContact O-N 3.41Å; I486-V499 HydrophobicContact CD1-CG2 4.14Å; I486-I603 HydrophobicContact CD1-CD1 4.3Å; I486-I603 HydrophobicContact CD1-CG1 4.13Å; I486-I603 HydrophobicContact CD1-CG2 4.24Å
487	P	98.8	Very high	93.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.7	168.7	28.5	-32.4	0	0	0	109.7	I401 L405 F424 V426 L649	I401-P487 HydrophobicContact CG2-CB 4.4Å; L405-P487 HydrophobicContact CD1-CB 3.89Å; L405-P487 HydrophobicContact CD1-CG 3.78Å; F424-P487 WeakPolarHBondContact O-CD 3.18Å; V426-P487 HydrophobicContact CG1-CB 4.12Å; V426-P487 HydrophobicContact CG1-CG 3.99Å; P487-L649 HydrophobicContact CB-CD1 4.08Å; P487-L649 HydrophobicContact CB-CD2 4.4Å
488	I	96.7	Very high	93.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.3	-177.2	-55.9	172.7	0	0	0	109.2	Y429 I486 E490 W494 F495 I603	Y429-I488 HydrophobicContact CD1-CB 4.36Å; Y429-I488 HydrophobicContact CD1-CG1 4.21Å; Y429-I488 HydrophobicContact CD1-CG2 3.45Å; Y429-I488 VanDerWaalsContact CD1-CG2 3.45Å; Y429-I488 HydrophobicContact CD2-CD1 3.72Å; Y429-I488 HydrophobicContact CD2-CG1 3.8Å; Y429-I488 HydrophobicContact CD2-CG2 4.43Å; Y429-I488 HydrophobicContact CE1-CG2 3.61Å; Y429-I488 HydrophobicContact CE2-CD1 3.82Å; Y429-I488 HydrophobicContact CE2-CG1 4.33Å; Y429-I488 HydrophobicContact CG-CB 4.35Å; Y429-I488 HydrophobicContact CG-CD1 4.16Å; Y429-I488 HydrophobicContact CG-CG1 3.74Å; Y429-I488 HydrophobicContact CG-CG2 3.9Å; I486-I488 HydrophobicContact CG2-CD1 4.25Å; I486-I488 HydrophobicContact CG2-CG1 3.85Å; I486-I488 PolarHBondContact O-N 3.41Å; I488-E490 HydrophobicContact CG2-CG 4.13Å; I488-W494 WeakPolarHBondContact O-CA 3.48Å; I488-F495 HydrophobicContact CB-CD1 4.28Å; I488-F495 HydrophobicContact CB-CD2 4.13Å; I488-F495 HydrophobicContact CB-CE1 3.91Å; I488-F495 HydrophobicContact CB-CE2 3.75Å; I488-F495 HydrophobicContact CB-CG 4.39Å; I488-F495 HydrophobicContact CB-CZ 3.65Å; I488-F495 HydrophobicContact CD1-CD2 4.31Å; I488-F495 HydrophobicContact CD1-CE2 3.64Å; I488-F495 HydrophobicContact CD1-CZ 4.15Å; I488-F495 HydrophobicContact CG1-CE2 4.25Å; I488-F495 HydrophobicContact CG1-CZ 4.49Å; I488-F495 HydrophobicContact CG2-CD1 4.31Å; I488-F495 HydrophobicContact CG2-CE1 3.48Å; I488-F495 VanDerWaalsContact CG2-CE1 3.48Å; I488-F495 HydrophobicContact CG2-CE2 3.79Å; I488-F495 HydrophobicContact CG2-CZ 3.18Å; I488-F495 PolarHBondContact N-O 3.04Å; I488-F495 PolarHBondContact O-N 2.72Å; I488-I603 HydrophobicContact CD1-CD1 4.23Å
489	N	90.1	Very high	93.4	Very high	53 Å²	53	13 Å²	13	28%	0.283	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.1	171.6	-167.9	-6.6	0	0	0	109.4	A492 H493 W494	N489-A492 VanDerWaalsContact OD1-C 3.3Å; N489-A492 WeakPolarHBondContact OD1-CA 3.17Å; N489-A492 PolarHBondContact OD1-N 2.98Å; N489-H493 WeakPolarHBondContact CA-O 3.48Å; N489-H493 PolarHBondContact OD1-N 3.46Å; N489-H493 PolarHBondContact OD1-O 3.07Å; N489-W494 HydrophobicContact CB-CD2 4Å; N489-W494 HydrophobicContact CB-CE3 3.61Å; N489-W494 HydrophobicContact CB-CH2 3.69Å; N489-W494 HydrophobicContact CB-CZ2 4.07Å; N489-W494 HydrophobicContact CB-CZ3 3.47Å; N489-W494 VanDerWaalsContact CB-CZ3 3.47Å; N489-W494 WeakPolarHBondContact ND2-CZ2 3.4Å
490	E	81	Confident	93.4	Very high	53 Å²	53	13 Å²	13	25%	0.248	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.7	171.4	-69.3	-179.2	157.7	0	0	108.6	Y429 I488 A492 H493 F495 R596 N599	Y429-E490 WeakPolarHBondContact CE1-OE1 3.13Å; Y429-E490 PolarHBondContact OH-OE1 3.35Å; I488-E490 HydrophobicContact CG2-CG 4.13Å; E490-A492 PolarHBondContact O-N 3.44Å; E490-H493 PolarHBondContact N-O 3.05Å; E490-H493 VanDerWaalsContact N-O 3.17Å; E490-H493 WeakPolarHBondContact O-CB 3.05Å; E490-H493 PolarHBondContact O-N 3.35Å; E490-F495 HydrophobicContact CB-CE1 4.22Å; E490-F495 HydrophobicContact CG-CE1 4.2Å; E490-F495 HydrophobicContact CG-CZ 4.46Å; E490-R596 IonicContact OE2-NH1 2.73Å; E490-R596 PolarHBondContact OE2-NH1 3.15Å; E490-N599 PolarHBondContact OE1-ND2 3.22Å; E490-N599 PolarHBondContact OE2-ND2 3.04Å
491	C	74.5	Confident	93.4	Very high	38 Å²	38	12 Å²	12	26%	0.257	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	35.9	-178.2	-59.3	0	0	0	0	113.8	N288 T289 H493	N288-C491 HydrophobicContact CB-CB 4.18Å; T289-C491 PolarHBondContact OG1-O 3.3Å; C491-H493 PolarHBondContact O-N 3.33Å
492	A	75.9	Confident	93.5	Very high	27 Å²	27	10.6 Å²	10.6	22%	0.223	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	21.6	-176.2	0	0	0	0	0	114.5	N285 L395 N489 E490	N285-A492 HydrophobicContact CB-CB 3.66Å; N285-A492 WeakPolarHBondContact ND2-CB 3.38Å; L395-A492 HydrophobicContact CD1-CB 4.28Å; N489-A492 VanDerWaalsContact OD1-C 3.3Å; N489-A492 WeakPolarHBondContact OD1-CA 3.17Å; N489-A492 PolarHBondContact OD1-N 2.98Å; E490-A492 PolarHBondContact O-N 3.44Å
493	H	83.5	Confident	93.5	Very high	5 Å²	5	10.4 Å²	10.4	2%	0.023	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.4	169.3	-178.5	64	0	0	0	110.7	T289 N489 E490 C491 D589 R596 C645	T289-H493 HydrophobicContact CG2-CB 4.12Å; N489-H493 WeakPolarHBondContact CA-O 3.48Å; N489-H493 PolarHBondContact OD1-N 3.46Å; N489-H493 PolarHBondContact OD1-O 3.07Å; E490-H493 PolarHBondContact N-O 3.05Å; E490-H493 VanDerWaalsContact N-O 3.17Å; E490-H493 WeakPolarHBondContact O-CB 3.05Å; E490-H493 PolarHBondContact O-N 3.35Å; C491-H493 PolarHBondContact O-N 3.33Å; H493-D589 IonicContact CD2-OD1 2.7Å; H493-D589 IonicContact CE1-OD1 3.24Å; H493-D589 PolarHBondContact CE1-OD1 3.07Å; H493-D589 IonicContact NE2-OD1 2.91Å; H493-D589 PolarHBondContact NE2-OD1 2.88Å; H493-D589 IonicContact NE2-OD2 3.71Å; H493-R596 PolarHBondContact CD2-NH2 2.87Å; H493-C645 VanDerWaalsContact CE1-CB 3.47Å; H493-C645 WeakPolarHBondContact CE1-CB 3.41Å; H493-C645 WeakPolarHBondContact ND1-CB 3.48Å
494	W	93.4	Very high	93.5	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.015	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.9	178.6	-69.3	106.6	0	0	0	111.6	L396 D398 I401 V426 I488 N489 C645 L649	L396-W494 PolarHBondContact O-NE1 3.17Å; D398-W494 WeakPolarHBondContact OD1-CH2 3.31Å; D398-W494 WeakPolarHBondContact OD1-CZ2 3.37Å; I401-W494 HydrophobicContact CD1-CD2 4.47Å; I401-W494 HydrophobicContact CG1-CD2 4.2Å; I401-W494 HydrophobicContact CG1-CE3 4.48Å; I401-W494 HydrophobicContact CG1-CH2 4.35Å; I401-W494 HydrophobicContact CG1-CZ2 4.04Å; I401-W494 HydrophobicContact CG2-CZ3 4.42Å; V426-W494 HydrophobicContact CB-CH2 3.77Å; V426-W494 HydrophobicContact CB-CZ3 3.84Å; V426-W494 HydrophobicContact CG1-CH2 3.68Å; V426-W494 HydrophobicContact CG1-CZ3 3.58Å; V426-W494 HydrophobicContact CG2-CH2 4.39Å; I488-W494 WeakPolarHBondContact O-CA 3.48Å; N489-W494 HydrophobicContact CB-CD2 4Å; N489-W494 HydrophobicContact CB-CE3 3.61Å; N489-W494 HydrophobicContact CB-CH2 3.69Å; N489-W494 HydrophobicContact CB-CZ2 4.07Å; N489-W494 HydrophobicContact CB-CZ3 3.47Å; N489-W494 VanDerWaalsContact CB-CZ3 3.47Å; N489-W494 WeakPolarHBondContact ND2-CZ2 3.4Å; W494-C645 HydrophobicContact CB-CB 4.31Å; W494-C645 PolarHBondContact N-SG 3.19Å; W494-C645 VanDerWaalsContact N-SG 3.41Å; W494-C645 WeakPolarHBondContact O-CB 3.14Å; W494-L649 HydrophobicContact CB-CB 4.47Å; W494-L649 HydrophobicContact CB-CD1 3.9Å; W494-L649 HydrophobicContact CE3-CD1 4.05Å
495	F	95	Very high	93.4	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.8	171	63.8	-82	0	0	0	110.1	I488 E490 F588 D589 N599 L649	I488-F495 HydrophobicContact CB-CD1 4.28Å; I488-F495 HydrophobicContact CB-CD2 4.13Å; I488-F495 HydrophobicContact CB-CE1 3.91Å; I488-F495 HydrophobicContact CB-CE2 3.75Å; I488-F495 HydrophobicContact CB-CG 4.39Å; I488-F495 HydrophobicContact CB-CZ 3.65Å; I488-F495 HydrophobicContact CD1-CD2 4.31Å; I488-F495 HydrophobicContact CD1-CE2 3.64Å; I488-F495 HydrophobicContact CD1-CZ 4.15Å; I488-F495 HydrophobicContact CG1-CE2 4.25Å; I488-F495 HydrophobicContact CG1-CZ 4.49Å; I488-F495 HydrophobicContact CG2-CD1 4.31Å; I488-F495 HydrophobicContact CG2-CE1 3.48Å; I488-F495 VanDerWaalsContact CG2-CE1 3.48Å; I488-F495 HydrophobicContact CG2-CE2 3.79Å; I488-F495 HydrophobicContact CG2-CZ 3.18Å; I488-F495 PolarHBondContact N-O 3.04Å; I488-F495 PolarHBondContact O-N 2.72Å; E490-F495 HydrophobicContact CB-CE1 4.22Å; E490-F495 HydrophobicContact CG-CE1 4.2Å; E490-F495 HydrophobicContact CG-CZ 4.46Å; F495-F588 WeakPolarHBondContact CB-O 3.46Å; F495-D589 HydrophobicContact CB-CB 4.33Å; F495-N599 HydrophobicContact CE2-CB 4.31Å; F495-N599 WeakPolarHBondContact CZ-ND2 3.4Å; F495-L649 VanDerWaalsContact O-CD1 3.25Å; F495-L649 WeakPolarHBondContact O-CD1 3.39Å
496	L	98.5	Very high	93.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.7	-173.4	172	68	0	0	0	111	I485 L587 F588 L649 V653	I485-L496 HydrophobicContact CG2-CD1 3.62Å; L496-L587 CarbonylContact O-C 3.52Å; L496-L587 WeakPolarHBondContact O-CA 3.31Å; L496-F588 HydrophobicContact CB-CB 4.12Å; L496-F588 HydrophobicContact CB-CD2 4.31Å; L496-F588 HydrophobicContact CD2-CD2 3.79Å; L496-F588 HydrophobicContact CD2-CE2 4.21Å; L496-F588 HydrophobicContact CD2-CG 4.28Å; L496-F588 HydrophobicContact CG-CD2 4.06Å; L496-F588 PolarHBondContact N-O 3.26Å; L496-F588 PolarHBondContact O-N 3.11Å; L496-L649 HydrophobicContact CB-CG 4.19Å; L496-V653 HydrophobicContact CD1-CG2 3.96Å; L496-V653 HydrophobicContact CD2-CG2 3.62Å; L496-V653 HydrophobicContact CG-CG2 4.41Å
497	G	98.3	Very high	93.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.8	157.8	0	0	0	0	0	110.8	I486	I486-G497 WeakPolarHBondContact CA-O 3.48Å; I486-G497 PolarHBondContact N-O 2.89Å; I486-G497 PolarHBondContact O-N 3.41Å
498	L	98	Very high	92.9	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.6	175.5	-175.6	68.9	0	0	0	109.6	I484 I485 V585 L586 F588 F656	I484-L498 WeakPolarHBondContact O-CA 3.47Å; I485-L498 HydrophobicContact CG1-CD1 3.88Å; L498-V585 CarbonylContact O-C 3.58Å; L498-V585 WeakPolarHBondContact O-CA 3.4Å; L498-L586 HydrophobicContact CB-CB 4.35Å; L498-L586 HydrophobicContact CD2-CD1 4.49Å; L498-L586 PolarHBondContact N-O 2.97Å; L498-L586 PolarHBondContact O-N 2.97Å; L498-F588 HydrophobicContact CB-CD2 4.46Å; L498-F588 HydrophobicContact CB-CE2 3.89Å; L498-F588 HydrophobicContact CD2-CE2 3.91Å; L498-F588 HydrophobicContact CD2-CZ 4.29Å; L498-F656 HydrophobicContact CD2-CD1 4.04Å; L498-F656 HydrophobicContact CD2-CD2 3.56Å; L498-F656 HydrophobicContact CD2-CE1 3.87Å; L498-F656 HydrophobicContact CD2-CE2 3.36Å; L498-F656 HydrophobicContact CD2-CG 3.91Å; L498-F656 HydrophobicContact CD2-CZ 3.55Å
499	V	98.6	Very high	92.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.5	173.5	-169.8	0	0	0	0	108.3	Y483 I484 I486 P502 V585 I603 L607 I629	Y483-V499 CarbonylContact C-O 3.35Å; Y483-V499 VanDerWaalsContact CA-O 3.3Å; Y483-V499 WeakPolarHBondContact CA-O 3.46Å; I484-V499 HydrophobicContact CB-CB 3.97Å; I484-V499 HydrophobicContact CB-CG2 4.23Å; I484-V499 HydrophobicContact CD1-CB 4.29Å; I484-V499 HydrophobicContact CG1-CB 4.39Å; I484-V499 PolarHBondContact N-O 2.65Å; I484-V499 PolarHBondContact O-N 3.14Å; I486-V499 HydrophobicContact CD1-CG2 4.14Å; V499-P502 HydrophobicContact CG1-CB 3.98Å; V499-P502 HydrophobicContact CG1-CG 4.33Å; V499-V585 HydrophobicContact CG1-CG2 4.41Å; V499-V585 HydrophobicContact CG2-CG2 4.38Å; V499-I603 HydrophobicContact CG2-CG2 3.79Å; V499-L607 HydrophobicContact CG1-CD1 3.88Å; V499-L607 HydrophobicContact CG2-CD1 4.43Å; V499-I629 HydrophobicContact CG1-CD1 3.72Å
500	C	96.4	Very high	92.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131	179.4	-55.7	0	0	0	0	109.8	D482 Y483 P583 C584 Y664	D482-C500 CarbonylContact O-C 3.54Å; D482-C500 WeakPolarHBondContact O-CA 3.47Å; Y483-C500 HydrophobicContact CD1-CB 4.29Å; Y483-C500 HydrophobicContact CE1-CB 4.24Å; C500-P583 WeakPolarHBondContact O-CA 3.49Å; C500-C584 PolarHBondContact N-O 3.41Å; C500-C584 PolarHBondContact O-N 3.48Å; C500-Y664 HydrophobicContact CB-CE1 3.78Å
501	Y	96.1	Very high	93.5	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.016	7%	0.068	C	C	.	.			trans	41.6	55.8	177.8	-51.8	-75.7	0	0	0	114	D482 Y483 W503 M504 L574 V579 A581 M582 Y664	D482-Y501 HydrophobicContact CB-CD1 3.76Å; D482-Y501 HydrophobicContact CB-CE1 3.59Å; D482-Y501 VanDerWaalsContact CG-CE1 3.49Å; D482-Y501 PolarHBondContact O-N 3.2Å; Y483-Y501 HydrophobicContact CE1-CE2 4.14Å; Y483-Y501 AromaticContact CZ-CZ 3.94Å; Y483-Y501 PolarHBondContact OH-OH 3.19Å; Y501-W503 AromaticContact CD1-CE2 3.93Å; Y501-W503 AromaticContact CD1-CZ2 3.65Å; Y501-W503 HydrophobicContact CD1-CZ2 3.65Å; Y501-W503 AromaticContact CD1-NE1 3.89Å; Y501-W503 HydrophobicContact CE1-CZ2 4.38Å; Y501-W503 HydrophobicContact CG-CZ2 4.43Å; Y501-W503 PolarHBondContact O-N 2.75Å; Y501-W503 VanDerWaalsContact O-N 3.08Å; Y501-M504 HydrophobicContact CG-SD 4.07Å; Y501-M504 WeakPolarHBondContact O-CB 3.26Å; Y501-M504 PolarHBondContact O-N 3.31Å; Y501-L574 HydrophobicContact CD1-CD1 4.22Å; Y501-L574 HydrophobicContact CE1-CD1 3.71Å; Y501-V579 WeakPolarHBondContact OH-CG1 3.21Å; Y501-A581 HydrophobicContact CD1-CB 4Å; Y501-A581 HydrophobicContact CD2-CB 3.66Å; Y501-A581 HydrophobicContact CE1-CB 3.82Å; Y501-A581 HydrophobicContact CE2-CB 3.44Å; Y501-A581 VanDerWaalsContact CE2-CB 3.44Å; Y501-A581 HydrophobicContact CG-CB 3.91Å; Y501-M582 WeakPolarHBondContact CD2-O 3.36Å; Y501-Y664 HydrophobicContact CD2-CE1 4.5Å; Y501-Y664 HydrophobicContact CE2-CE1 4.21Å; Y501-Y664 AromaticContact CE2-CE2 3.84Å; Y501-Y664 HydrophobicContact CE2-CE2 3.84Å; Y501-Y664 AromaticContact CE2-CZ 3.53Å; Y501-Y664 VanDerWaalsContact CE2-OH 3.27Å; Y501-Y664 WeakPolarHBondContact CE2-OH 3.38Å
502	P	98.1	Very high	94.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.5	-179.9	23.8	-35.4	0	0	0	112.9	F479 K481 I484 V499 M504 A505	F479-P502 HydrophobicContact CD1-CB 4.39Å; K481-P502 VanDerWaalsContact O-CD 3.3Å; K481-P502 WeakPolarHBondContact O-CD 3.14Å; K481-P502 WeakPolarHBondContact O-CG 3.13Å; I484-P502 HydrophobicContact CD1-CG 3.99Å; V499-P502 HydrophobicContact CG1-CB 3.98Å; V499-P502 HydrophobicContact CG1-CG 4.33Å; P502-M504 PolarHBondContact O-N 2.94Å; P502-A505 WeakPolarHBondContact O-CB 3.34Å; P502-A505 PolarHBondContact O-N 2.82Å
503	W	97.2	Very high	95	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-65.2	-24.7	174.3	57.3	-100.2	0	0	0	113.1	F479 D482 Y501 A505 M507 F563 W566 R567 R570 L571 L574	F479-W503 VanDerWaalsContact O-CB 3.27Å; F479-W503 WeakPolarHBondContact O-CB 3.28Å; D482-W503 PolarHBondContact OD1-NE1 3.17Å; Y501-W503 AromaticContact CD1-CE2 3.93Å; Y501-W503 AromaticContact CD1-CZ2 3.65Å; Y501-W503 HydrophobicContact CD1-CZ2 3.65Å; Y501-W503 AromaticContact CD1-NE1 3.89Å; Y501-W503 HydrophobicContact CE1-CZ2 4.38Å; Y501-W503 HydrophobicContact CG-CZ2 4.43Å; Y501-W503 PolarHBondContact O-N 2.75Å; Y501-W503 VanDerWaalsContact O-N 3.08Å; W503-A505 PolarHBondContact O-N 2.83Å; W503-M507 HydrophobicContact CE3-SD 4.4Å; W503-M507 HydrophobicContact CZ3-SD 4.23Å; W503-F563 HydrophobicContact CB-CZ 4.07Å; W503-W566 HydrophobicContact CB-CZ3 4.02Å; W503-W566 HydrophobicContact CD2-CZ3 4.2Å; W503-W566 HydrophobicContact CE3-CZ3 4.46Å; W503-W566 HydrophobicContact CG-CH2 4.3Å; W503-W566 AromaticContact CG-CZ3 4Å; W503-W566 HydrophobicContact CG-CZ3 4Å; W503-R567 HydrophobicContact CB-CG 4.41Å; W503-R567 HydrophobicContact CE3-CB 4.04Å; W503-R567 HydrophobicContact CE3-CG 3.91Å; W503-R567 HydrophobicContact CZ3-CB 4.35Å; W503-R567 WeakPolarHBondContact O-CD 3.46Å; W503-R567 PolarHBondContact O-NH1 2.7Å; W503-R570 HydrophobicContact CH2-CB 4.07Å; W503-R570 HydrophobicContact CH2-CG 3.62Å; W503-R570 HydrophobicContact CZ2-CB 4.39Å; W503-R570 HydrophobicContact CZ2-CG 3.48Å; W503-R570 VanDerWaalsContact CZ2-CG 3.48Å; W503-R570 HydrophobicContact CZ3-CB 4.26Å; W503-R570 HydrophobicContact CZ3-CG 4.21Å; W503-L571 HydrophobicContact CH2-CB 4.02Å; W503-L571 HydrophobicContact CH2-CD1 4.43Å; W503-L571 HydrophobicContact CZ3-CB 4.07Å; W503-L574 HydrophobicContact CH2-CD1 3.94Å; W503-L574 HydrophobicContact CZ2-CD1 3.66Å
504	M	97	Very high	95.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-76.3	-4.3	175.9	-68.4	-177.5	66.3	0	0	114.1	Y501 P502 G506 M507 L571 A581 P583	Y501-M504 HydrophobicContact CG-SD 4.07Å; Y501-M504 WeakPolarHBondContact O-CB 3.26Å; Y501-M504 PolarHBondContact O-N 3.31Å; P502-M504 PolarHBondContact O-N 2.94Å; M504-G506 PolarHBondContact O-N 2.73Å; M504-M507 HydrophobicContact CB-SD 4.32Å; M504-M507 HydrophobicContact CG-SD 4.19Å; M504-M507 VanDerWaalsContact O-CB 3.28Å; M504-M507 WeakPolarHBondContact O-CB 3.21Å; M504-M507 PolarHBondContact O-N 3.41Å; M504-L571 HydrophobicContact CE-CD1 3.59Å; M504-L571 HydrophobicContact CE-CD2 3.82Å; M504-L571 HydrophobicContact CE-CG 4.34Å; M504-L571 HydrophobicContact SD-CD1 3.91Å; M504-A581 HydrophobicContact CE-CB 4.35Å; M504-A581 VanDerWaalsContact CE-O 3.27Å; M504-A581 WeakPolarHBondContact CE-O 3.25Å; M504-A581 HydrophobicContact SD-CB 3.52Å; M504-A581 VanDerWaalsContact SD-CB 3.52Å; M504-P583 HydrophobicContact CB-CB 3.89Å; M504-P583 HydrophobicContact CB-CG 3.92Å
505	A	97.3	Very high	94.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-51.5	132.2	177.2	0	0	0	0	0	110.5	P502 W503 M507 R567 L622 F624 T628	P502-A505 WeakPolarHBondContact O-CB 3.34Å; P502-A505 PolarHBondContact O-N 2.82Å; W503-A505 PolarHBondContact O-N 2.83Å; A505-M507 PolarHBondContact O-N 3.49Å; A505-R567 PolarHBondContact O-NH1 3.41Å; A505-L622 HydrophobicContact CB-CD2 4.29Å; A505-L622 HydrophobicContact CB-CG 4.4Å; A505-L622 WeakPolarHBondContact O-CD1 3.18Å; A505-F624 HydrophobicContact CB-CD1 4.03Å; A505-F624 HydrophobicContact CB-CE1 3.72Å; A505-F624 HydrophobicContact CB-CZ 4.3Å; A505-T628 WeakPolarHBondContact CA-O 3.41Å
506	G	95.4	Very high	94.6	Very high	27 Å²	27	25.4 Å²	25.4	28%	0.278	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-7.7	-177.8	0	0	0	0	0	115.8	M504 V508	M504-G506 PolarHBondContact O-N 2.73Å; G506-V508 VanDerWaalsContact C-N 3.31Å
507	M	96.5	Very high	93.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-24.9	170.1	-61.6	-177.5	68.6	0	0	111.9	W503 M504 A505 L524 T525 F528 V531 R567 L571	W503-M507 HydrophobicContact CE3-SD 4.4Å; W503-M507 HydrophobicContact CZ3-SD 4.23Å; M504-M507 HydrophobicContact CB-SD 4.32Å; M504-M507 HydrophobicContact CG-SD 4.19Å; M504-M507 VanDerWaalsContact O-CB 3.28Å; M504-M507 WeakPolarHBondContact O-CB 3.21Å; M504-M507 PolarHBondContact O-N 3.41Å; A505-M507 PolarHBondContact O-N 3.49Å; M507-L524 HydrophobicContact CB-CD2 4.3Å; M507-L524 CarbonylContact O-C 3.53Å; M507-L524 WeakPolarHBondContact O-CA 3.26Å; M507-T525 PolarHBondContact O-N 2.98Å; M507-T525 PolarHBondContact O-OG1 3.21Å; M507-F528 HydrophobicContact CB-CD2 4.05Å; M507-F528 HydrophobicContact CB-CE2 4.33Å; M507-F528 HydrophobicContact CB-CG 4.38Å; M507-F528 HydrophobicContact CE-CB 4.1Å; M507-F528 HydrophobicContact CE-CD1 3.73Å; M507-F528 HydrophobicContact CE-CE1 4.27Å; M507-F528 HydrophobicContact CE-CG 3.92Å; M507-F528 HydrophobicContact CG-CD1 4.27Å; M507-F528 HydrophobicContact CG-CD2 3.92Å; M507-F528 HydrophobicContact CG-CE1 4.19Å; M507-F528 HydrophobicContact CG-CE2 3.84Å; M507-F528 HydrophobicContact CG-CG 4.13Å; M507-F528 HydrophobicContact CG-CZ 3.97Å; M507-V531 HydrophobicContact CE-CG2 4.26Å; M507-R567 HydrophobicContact SD-CB 3.99Å; M507-L571 HydrophobicContact CE-CB 4.33Å; M507-L571 HydrophobicContact CE-CD2 3.58Å
508	V	93.8	Very high	93.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-123.1	142.4	177.1	176.7	0	0	0	0	108.2	G506 L513 L524 M582 P583	G506-V508 VanDerWaalsContact C-N 3.31Å; V508-L513 HydrophobicContact CG1-CD1 3.35Å; V508-L513 HydrophobicContact CG1-CG 3.99Å; V508-L524 HydrophobicContact CG2-CD2 3.88Å; V508-M582 HydrophobicContact CG1-CE 4.16Å; V508-M582 HydrophobicContact CG1-SD 4.23Å; V508-M582 HydrophobicContact CG2-SD 4.11Å; V508-P583 HydrophobicContact CB-CG 4.49Å
509	S	94.7	Very high	92.1	Very high	24 Å²	24	37.9 Å²	37.9	17%	0.168	19%	0.185	C	C	.	.			trans	-109.9	108	168.9	173.9	0	0	0	0	108.9	T511 A512 L513 D627	S509-T511 PolarHBondContact O-N 3.1Å; S509-A512 PolarHBondContact O-N 2.92Å; S509-A512 PolarHBondContact OG-N 2.86Å; S509-L513 WeakPolarHBondContact O-CG 3.19Å; S509-L513 PolarHBondContact O-N 2.97Å; S509-D627 WeakPolarHBondContact CB-OD2 3.37Å; S509-D627 VanDerWaalsContact OG-CG 3.26Å; S509-D627 PolarHBondContact OG-OD1 3.33Å; S509-D627 PolarHBondContact OG-OD2 3.42Å
510	Y	92	Very high	91	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-33.1	176.5	-81.1	-80.5	0	0	0	111.8	A512 L513 Y514 M582 P583 D627 R630 F632	Y510-A512 VanDerWaalsContact C-N 3.32Å; Y510-A512 PolarHBondContact O-N 2.9Å; Y510-L513 HydrophobicContact CD1-CD1 4.32Å; Y510-L513 PolarHBondContact O-N 3.43Å; Y510-Y514 HydrophobicContact CD1-CD2 4.37Å; Y510-Y514 AromaticContact CD1-CE2 3.91Å; Y510-Y514 HydrophobicContact CD1-CE2 3.91Å; Y510-Y514 WeakPolarHBondContact O-CB 3.26Å; Y510-Y514 WeakPolarHBondContact O-CD2 3.39Å; Y510-Y514 PolarHBondContact O-N 2.86Å; Y510-M582 HydrophobicContact CD1-CE 4.3Å; Y510-M582 HydrophobicContact CE1-CE 3.44Å; Y510-M582 VanDerWaalsContact CE1-CE 3.44Å; Y510-M582 HydrophobicContact CE2-CE 4.42Å; Y510-M582 WeakPolarHBondContact OH-CE 3.32Å; Y510-P583 HydrophobicContact CE2-CG 4.39Å; Y510-P583 WeakPolarHBondContact CE2-O 3.27Å; Y510-P583 PolarHBondContact OH-O 2.98Å; Y510-D627 WeakPolarHBondContact CD2-O 3.37Å; Y510-D627 PolarHBondContact N-O 2.75Å; Y510-D627 PolarHBondContact N-OD1 2.49Å; Y510-R630 HydrophobicContact CD1-CB 3.93Å; Y510-R630 HydrophobicContact CD2-CB 3.54Å; Y510-R630 HydrophobicContact CE1-CB 3.9Å; Y510-R630 HydrophobicContact CE2-CB 3.54Å; Y510-R630 HydrophobicContact CG-CB 3.72Å; Y510-R630 HydrophobicContact CG-CG 4.49Å; Y510-F632 HydrophobicContact CE1-CE2 4.25Å; Y510-F632 AromaticContact CE1-CZ 3.87Å; Y510-F632 HydrophobicContact CE1-CZ 3.87Å
511	T	92.4	Very high	90.1	Very high	67 Å²	67	46.4 Å²	46.4	41%	0.411	23%	0.227	S	C	.	.	H	α-helix	trans	-61	-43.3	176.2	-56.5	0	0	0	0	110.9	S509 R515 D627	S509-T511 PolarHBondContact O-N 3.1Å; T511-R515 VanDerWaalsContact O-CB 3.23Å; T511-R515 WeakPolarHBondContact O-CB 3.21Å; T511-R515 PolarHBondContact O-N 2.84Å; T511-D627 WeakPolarHBondContact CA-OD1 3.35Å; T511-D627 WeakPolarHBondContact CB-OD1 3.37Å; T511-D627 PolarHBondContact N-OD1 3.1Å; T511-D627 PolarHBondContact OG1-OD1 2.79Å
512	A	92.8	Very high	89.4	Confident	31 Å²	31	46.7 Å²	46.7	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-49.4	174.5	0	0	0	0	0	111.2	S509 Y510 Y514 R515 E516	S509-A512 PolarHBondContact O-N 2.92Å; S509-A512 PolarHBondContact OG-N 2.86Å; Y510-A512 VanDerWaalsContact C-N 3.32Å; Y510-A512 PolarHBondContact O-N 2.9Å; A512-Y514 VanDerWaalsContact C-N 3.31Å; A512-Y514 PolarHBondContact O-N 3.12Å; A512-R515 PolarHBondContact O-N 2.73Å; A512-R515 VanDerWaalsContact O-N 3.12Å; A512-E516 WeakPolarHBondContact O-CB 3.29Å; A512-E516 PolarHBondContact O-N 2.91Å
513	L	89.5	Confident	88.9	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-42.1	179.3	-70.9	-175	0	0	0	113.3	V508 S509 Y510 E517 V518 Y519 L521 Q523 M582	V508-L513 HydrophobicContact CG1-CD1 3.35Å; V508-L513 HydrophobicContact CG1-CG 3.99Å; S509-L513 WeakPolarHBondContact O-CG 3.19Å; S509-L513 PolarHBondContact O-N 2.97Å; Y510-L513 HydrophobicContact CD1-CD1 4.32Å; Y510-L513 PolarHBondContact O-N 3.43Å; L513-E517 PolarHBondContact O-N 3.47Å; L513-E517 VanDerWaalsContact O-N 3.14Å; L513-V518 HydrophobicContact CD2-CG2 3.88Å; L513-V518 PolarHBondContact O-N 2.89Å; L513-Y519 PolarHBondContact O-N 3.11Å; L513-L521 WeakPolarHBondContact CD2-O 3.42Å; L513-Q523 HydrophobicContact CD2-CB 3.65Å; L513-M582 HydrophobicContact CD1-CE 3.73Å
514	Y	86.2	Confident	88.7	Confident	70 Å²	70	51.6 Å²	51.6	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-74.4	-35.9	178.6	-85.6	-99.7	0	0	0	112.1	I329 Y510 A512 E516 E517	I329-Y514 HydrophobicContact CD1-CE1 4.25Å; I329-Y514 HydrophobicContact CD1-CE2 4.49Å; I329-Y514 WeakPolarHBondContact CD1-OH 3Å; Y510-Y514 HydrophobicContact CD1-CD2 4.37Å; Y510-Y514 AromaticContact CD1-CE2 3.91Å; Y510-Y514 HydrophobicContact CD1-CE2 3.91Å; Y510-Y514 WeakPolarHBondContact O-CB 3.26Å; Y510-Y514 WeakPolarHBondContact O-CD2 3.39Å; Y510-Y514 PolarHBondContact O-N 2.86Å; A512-Y514 VanDerWaalsContact C-N 3.31Å; A512-Y514 PolarHBondContact O-N 3.12Å; Y514-E516 VanDerWaalsContact C-N 3.32Å; Y514-E517 PolarHBondContact O-N 3.18Å
515	R	89.4	Confident	88.6	Confident	194 Å²	194	53.6 Å²	53.6	73%	0.732	27%	0.265	S	S	*	.	H	α-helix	trans	-65.2	-37.9	176.2	-176.8	-172.2	-59.8	162.6	2.6	112	T511 A512 E517	T511-R515 VanDerWaalsContact O-CB 3.23Å; T511-R515 WeakPolarHBondContact O-CB 3.21Å; T511-R515 PolarHBondContact O-N 2.84Å; A512-R515 PolarHBondContact O-N 2.73Å; A512-R515 VanDerWaalsContact O-N 3.12Å; R515-E517 VanDerWaalsContact C-N 3.34Å
516	E	88.3	Confident	88.5	Confident	105 Å²	105	62 Å²	62	49%	0.491	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.1	-180	-70.5	172.6	-156.6	0	0	112.7	A512 Y514 V518 Q523	A512-E516 WeakPolarHBondContact O-CB 3.29Å; A512-E516 PolarHBondContact O-N 2.91Å; Y514-E516 VanDerWaalsContact C-N 3.32Å; E516-V518 HydrophobicContact CB-CG2 3.65Å; E516-V518 PolarHBondContact O-N 3.1Å; E516-V518 VanDerWaalsContact O-N 3.14Å; E516-Q523 PolarHBondContact OE2-NE2 3.4Å
517	E	83.8	Confident	88.4	Confident	153 Å²	153	66.5 Å²	66.5	72%	0.715	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	21.7	-177.2	-58.2	-177.7	175.3	0	0	114.4	L513 Y514 R515	L513-E517 PolarHBondContact O-N 3.47Å; L513-E517 VanDerWaalsContact O-N 3.14Å; Y514-E517 PolarHBondContact O-N 3.18Å; R515-E517 VanDerWaalsContact C-N 3.34Å
518	V	82.7	Confident	88.4	Confident	29 Å²	29	66.8 Å²	66.8	18%	0.176	32%	0.317	C	S	.	.			trans	-104.3	22.4	-179.3	-66.6	0	0	0	0	112.8	L513 E516 H520 L521 Q523	L513-V518 HydrophobicContact CD2-CG2 3.88Å; L513-V518 PolarHBondContact O-N 2.89Å; E516-V518 HydrophobicContact CB-CG2 3.65Å; E516-V518 PolarHBondContact O-N 3.1Å; E516-V518 VanDerWaalsContact O-N 3.14Å; V518-H520 PolarHBondContact O-N 3.49Å; V518-L521 HydrophobicContact CB-CD1 4.27Å; V518-L521 HydrophobicContact CG1-CD1 4.36Å; V518-L521 WeakPolarHBondContact O-CB 3.16Å; V518-L521 PolarHBondContact O-N 2.78Å; V518-Q523 VanDerWaalsContact CG2-OE1 3.31Å
519	Y	77.1	Confident	88.4	Confident	83 Å²	83	70.7 Å²	70.7	33%	0.325	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-10.8	177.1	61.7	-97.2	0	0	0	114.7	L513 L521 K666	L513-Y519 PolarHBondContact O-N 3.11Å; Y519-L521 VanDerWaalsContact C-N 3.31Å; Y519-K666 HydrophobicContact CD2-CB 4.18Å; Y519-K666 HydrophobicContact CE2-CB 3.83Å; Y519-K666 HydrophobicContact CE2-CD 4.4Å
520	H	74.8	Confident	88.4	Confident	92 Å²	92	72.1 Å²	72.1	43%	0.426	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-12.8	171.6	61.9	-82.4	0	0	0	113.1	V518 T665	V518-H520 PolarHBondContact O-N 3.49Å; H520-T665 VanDerWaalsContact CA-CG2 3.47Å; H520-T665 HydrophobicContact CB-CG2 3.86Å; H520-T665 WeakPolarHBondContact O-CG2 3.42Å
521	L	78.3	Confident	88.5	Confident	86 Å²	86	72 Å²	72	45%	0.45	35%	0.347	S	S	.	.	S	Bend	trans	-107.6	140.2	178.2	-55.1	177.8	0	0	0	110	L513 V518 Y519 Q523	L513-L521 WeakPolarHBondContact CD2-O 3.42Å; V518-L521 HydrophobicContact CB-CD1 4.27Å; V518-L521 HydrophobicContact CG1-CD1 4.36Å; V518-L521 WeakPolarHBondContact O-CB 3.16Å; V518-L521 PolarHBondContact O-N 2.78Å; Y519-L521 VanDerWaalsContact C-N 3.31Å; L521-Q523 PolarHBondContact O-N 3Å
522	C	80.6	Confident	88.2	Confident	11 Å²	11	73.2 Å²	73.2	7%	0.074	35%	0.351	C	S	.	.			trans	-80.3	62.9	167.7	-176.6	0	0	0	0	109.4	L524 R575 N580 A581 M582	C522-L524 PolarHBondContact O-N 3.28Å; C522-R575 PolarHBondContact O-NH2 3.35Å; C522-R575 PolarHBondContact SG-NH2 3.48Å; C522-N580 WeakPolarHBondContact CB-OD1 3.47Å; C522-A581 PolarHBondContact SG-O 3.26Å; C522-M582 HydrophobicContact CB-CG 4.31Å; C522-M582 HydrophobicContact CB-SD 3.82Å; C522-M582 VanDerWaalsContact SG-SD 3.63Å
523	Q	87.5	Confident	88.2	Confident	85 Å²	85	81.2 Å²	81.2	40%	0.397	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.4	121.2	176.9	-173.9	177.3	-18.2	0	0	109.4	L513 E516 V518 L521	L513-Q523 HydrophobicContact CD2-CB 3.65Å; E516-Q523 PolarHBondContact OE2-NE2 3.4Å; V518-Q523 VanDerWaalsContact CG2-OE1 3.31Å; L521-Q523 PolarHBondContact O-N 3Å
524	L	93.7	Very high	88.4	Confident	17 Å²	17	83.1 Å²	83.1	9%	0.089	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-82	150	-177.8	-58.8	179	0	0	0	110.4	M507 V508 C522 F528 V531 L571	M507-L524 HydrophobicContact CB-CD2 4.3Å; M507-L524 CarbonylContact O-C 3.53Å; M507-L524 WeakPolarHBondContact O-CA 3.26Å; V508-L524 HydrophobicContact CG2-CD2 3.88Å; C522-L524 PolarHBondContact O-N 3.28Å; L524-F528 HydrophobicContact CB-CB 4.14Å; L524-F528 HydrophobicContact CD1-CB 4.2Å; L524-F528 WeakPolarHBondContact CD1-O 3.46Å; L524-V531 HydrophobicContact CD1-CB 3.78Å; L524-V531 HydrophobicContact CD1-CG1 4.27Å; L524-V531 HydrophobicContact CD1-CG2 3.81Å; L524-L571 HydrophobicContact CD1-CD2 3.8Å; L524-L571 HydrophobicContact CD2-CD2 3.75Å; L524-L571 HydrophobicContact CG-CD2 4.41Å
525	T	94.8	Very high	88.4	Confident	43 Å²	43	86.9 Å²	86.9	26%	0.264	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-61.9	155.9	168.6	60.9	0	0	0	0	110.1	M507 K527 F528 T529	M507-T525 PolarHBondContact O-N 2.98Å; M507-T525 PolarHBondContact O-OG1 3.21Å; T525-K527 PolarHBondContact O-N 3.38Å; T525-F528 PolarHBondContact O-N 3.05Å; T525-F528 WeakPolarHBondContact OG1-CD2 3.29Å; T525-T529 PolarHBondContact O-N 3.37Å
526	E	94	Very high	88.3	Confident	176 Å²	176	78.8 Å²	78.8	82%	0.822	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-46.3	-41.7	-175	-171.5	179.8	177.2	0	0	113	F528 T529	E526-F528 PolarHBondContact O-N 3.4Å; E526-F528 VanDerWaalsContact O-N 3.11Å; E526-T529 PolarHBondContact O-N 3.06Å; E526-T529 PolarHBondContact O-OG1 3.38Å
527	K	94.5	Very high	87.9	Confident	121 Å²	121	76.6 Å²	76.6	53%	0.526	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.7	-24.9	179.2	-177.8	174.5	176.1	-175.9	0	114.8	T525 D564 R568	T525-K527 PolarHBondContact O-N 3.38Å; K527-D564 WeakPolarHBondContact CE-OD2 3.38Å; K527-D564 IonicContact NZ-OD2 2.88Å; K527-D564 PolarHBondContact NZ-OD2 2.79Å; K527-R568 PolarHBondContact O-NH2 2.9Å
528	F	96.7	Very high	87.5	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.026	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-121.7	10.4	-174.3	-60.3	-79	0	0	0	113.3	M507 L524 T525 E526 D530 V531 D564 R568	M507-F528 HydrophobicContact CB-CD2 4.05Å; M507-F528 HydrophobicContact CB-CE2 4.33Å; M507-F528 HydrophobicContact CB-CG 4.38Å; M507-F528 HydrophobicContact CE-CB 4.1Å; M507-F528 HydrophobicContact CE-CD1 3.73Å; M507-F528 HydrophobicContact CE-CE1 4.27Å; M507-F528 HydrophobicContact CE-CG 3.92Å; M507-F528 HydrophobicContact CG-CD1 4.27Å; M507-F528 HydrophobicContact CG-CD2 3.92Å; M507-F528 HydrophobicContact CG-CE1 4.19Å; M507-F528 HydrophobicContact CG-CE2 3.84Å; M507-F528 HydrophobicContact CG-CG 4.13Å; M507-F528 HydrophobicContact CG-CZ 3.97Å; L524-F528 HydrophobicContact CB-CB 4.14Å; L524-F528 HydrophobicContact CD1-CB 4.2Å; L524-F528 WeakPolarHBondContact CD1-O 3.46Å; T525-F528 PolarHBondContact O-N 3.05Å; T525-F528 WeakPolarHBondContact OG1-CD2 3.29Å; E526-F528 PolarHBondContact O-N 3.4Å; E526-F528 VanDerWaalsContact O-N 3.11Å; F528-D530 WeakPolarHBondContact CA-OD1 3.39Å; F528-D530 PolarHBondContact O-N 2.96Å; F528-D530 VanDerWaalsContact O-N 3.11Å; F528-V531 HydrophobicContact CB-CG2 4.3Å; F528-V531 WeakPolarHBondContact O-CB 3.38Å; F528-V531 WeakPolarHBondContact O-CG2 3.24Å; F528-V531 PolarHBondContact O-N 2.98Å; F528-D564 HydrophobicContact CE1-CB 3.96Å; F528-D564 HydrophobicContact CZ-CB 4.41Å; F528-R568 HydrophobicContact CD1-CG 3.78Å; F528-R568 HydrophobicContact CE1-CG 4.35Å
529	T	92.8	Very high	87.2	Confident	84 Å²	84	76.8 Å²	76.8	52%	0.515	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-62.8	-15.4	177.1	53.6	0	0	0	0	113.7	T525 E526 V531	T525-T529 PolarHBondContact O-N 3.37Å; E526-T529 PolarHBondContact O-N 3.06Å; E526-T529 PolarHBondContact O-OG1 3.38Å; T529-V531 VanDerWaalsContact C-N 3.33Å
530	D	94.5	Very high	87	Confident	54 Å²	54	76.7 Å²	76.7	29%	0.289	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-79.4	-8.9	178	66.5	-43.9	0	0	0	114.2	F528 D532 R533 R568	F528-D530 WeakPolarHBondContact CA-OD1 3.39Å; F528-D530 PolarHBondContact O-N 2.96Å; F528-D530 VanDerWaalsContact O-N 3.11Å; D530-D532 VanDerWaalsContact C-N 3.26Å; D530-D532 PolarHBondContact O-N 3.3Å; D530-R533 VanDerWaalsContact O-CB 3.32Å; D530-R533 WeakPolarHBondContact O-CB 3.36Å; D530-R533 PolarHBondContact O-N 2.93Å; D530-R568 WeakPolarHBondContact OD1-CD 3.41Å; D530-R568 IonicContact OD1-CZ 3.64Å; D530-R568 IonicContact OD1-NE 3.64Å; D530-R568 PolarHBondContact OD1-NE 3.47Å; D530-R568 VanDerWaalsContact OD2-CD 3.31Å; D530-R568 WeakPolarHBondContact OD2-CD 3.49Å; D530-R568 IonicContact OD2-NE 3.98Å; D530-R568 PolarHBondContact OD2-NE 3.2Å; D530-R568 VanDerWaalsContact OD2-NE 3.16Å
531	V	94.3	Very high	87.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-52.5	-42.8	-179.4	166.1	0	0	0	0	112.4	M507 L524 F528 T529 R533 I534 R568 L571 A572	M507-V531 HydrophobicContact CE-CG2 4.26Å; L524-V531 HydrophobicContact CD1-CB 3.78Å; L524-V531 HydrophobicContact CD1-CG1 4.27Å; L524-V531 HydrophobicContact CD1-CG2 3.81Å; F528-V531 HydrophobicContact CB-CG2 4.3Å; F528-V531 WeakPolarHBondContact O-CB 3.38Å; F528-V531 WeakPolarHBondContact O-CG2 3.24Å; F528-V531 PolarHBondContact O-N 2.98Å; T529-V531 VanDerWaalsContact C-N 3.33Å; V531-R533 PolarHBondContact O-N 2.94Å; V531-R533 VanDerWaalsContact O-N 3.15Å; V531-I534 WeakPolarHBondContact O-CB 3.45Å; V531-I534 PolarHBondContact O-N 2.74Å; V531-I534 VanDerWaalsContact O-N 3.09Å; V531-R568 HydrophobicContact CG2-CB 3.93Å; V531-R568 HydrophobicContact CG2-CG 3.73Å; V531-L571 HydrophobicContact CG1-CB 4.1Å; V531-L571 HydrophobicContact CG1-CD2 4.07Å; V531-L571 HydrophobicContact CG1-CG 3.96Å; V531-L571 HydrophobicContact CG2-CD2 4.44Å; V531-A572 HydrophobicContact CG1-CB 3.94Å; V531-A572 WeakPolarHBondContact O-CB 3.35Å
532	D	87	Confident	87.1	Confident	93 Å²	93	75.3 Å²	75.3	50%	0.497	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-71.4	-8.5	-176.2	-61.3	-38.3	0	0	0	113.2	D530 R575	D530-D532 VanDerWaalsContact C-N 3.26Å; D530-D532 PolarHBondContact O-N 3.3Å; D532-R575 VanDerWaalsContact CG-NH1 3.26Å; D532-R575 WeakPolarHBondContact OD1-CD 3.48Å; D532-R575 IonicContact OD1-CZ 2.95Å; D532-R575 IonicContact OD1-NE 2.98Å; D532-R575 IonicContact OD1-NH1 2.75Å; D532-R575 PolarHBondContact OD1-NH1 2.68Å; D532-R575 IonicContact OD2-NH1 3.96Å; D532-R575 PolarHBondContact OD2-NH1 3.33Å
533	R	92.7	Very high	86.8	Confident	200 Å²	200	79.9 Å²	79.9	76%	0.755	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-85.8	-11.2	173.4	-55.8	179.7	179.7	174.5	0.7	113	D530 V531 H535	D530-R533 VanDerWaalsContact O-CB 3.32Å; D530-R533 WeakPolarHBondContact O-CB 3.36Å; D530-R533 PolarHBondContact O-N 2.93Å; V531-R533 PolarHBondContact O-N 2.94Å; V531-R533 VanDerWaalsContact O-N 3.15Å; R533-H535 PolarHBondContact O-CD2 3.35Å; R533-H535 PolarHBondContact O-N 2.84Å
534	I	92.1	Very high	86.2	Confident	44 Å²	44	78.1 Å²	78.1	23%	0.226	42%	0.415	C	S	.	.			trans	-82.6	110.9	178.7	-58.7	174	0	0	0	107.9	V531 F536 R568 A572 Q576	V531-I534 WeakPolarHBondContact O-CB 3.45Å; V531-I534 PolarHBondContact O-N 2.74Å; V531-I534 VanDerWaalsContact O-N 3.09Å; I534-F536 HydrophobicContact CG2-CE2 3.99Å; I534-F536 HydrophobicContact CG2-CZ 4.1Å; I534-R568 HydrophobicContact CD1-CB 3.73Å; I534-A572 HydrophobicContact CB-CB 3.75Å; I534-A572 HydrophobicContact CD1-CB 4.46Å; I534-A572 HydrophobicContact CG2-CB 4.02Å; I534-Q576 PolarHBondContact O-NE2 2.98Å
535	H	87.2	Confident	85.6	Confident	149 Å²	149	79 Å²	79	69%	0.69	42%	0.419	S	S	*	.			trans	-105.4	142.5	178.3	-63.7	-64.2	0	0	0	111.7	R533	R533-H535 PolarHBondContact O-CD2 3.35Å; R533-H535 PolarHBondContact O-N 2.84Å
536	F	86.6	Confident	85	Confident	23 Å²	23	76.9 Å²	76.9	10%	0.101	41%	0.406	C	S	.	.			trans	-107.6	145	172.5	-62.1	-93.5	0	0	0	108.9	I534 L541 L544 I546 R569 A572 W573	I534-F536 HydrophobicContact CG2-CE2 3.99Å; I534-F536 HydrophobicContact CG2-CZ 4.1Å; F536-L541 HydrophobicContact CB-CB 4.29Å; F536-L541 HydrophobicContact CB-CD1 4.36Å; F536-L544 HydrophobicContact CE1-CD2 4.47Å; F536-I546 HydrophobicContact CD1-CD1 4.34Å; F536-I546 HydrophobicContact CE1-CD1 3.3Å; F536-I546 HydrophobicContact CE2-CD1 4.46Å; F536-I546 HydrophobicContact CZ-CD1 3.39Å; F536-R569 HydrophobicContact CE1-CG 4.01Å; F536-R569 VanDerWaalsContact CE1-CZ 3.46Å; F536-R569 HydrophobicContact CZ-CG 3.66Å; F536-R569 WeakPolarHBondContact CZ-O 3.48Å; F536-A572 HydrophobicContact CE2-CB 3.89Å; F536-W573 HydrophobicContact CD2-CB 4.42Å; F536-W573 HydrophobicContact CE1-CB 4.46Å; F536-W573 HydrophobicContact CE2-CB 3.77Å; F536-W573 HydrophobicContact CZ-CB 3.78Å
537	S	81.1	Confident	84.5	Confident	59 Å²	59	69.1 Å²	69.1	41%	0.413	37%	0.373	S	S	.	.			trans	-65.9	154.2	168.4	79.6	0	0	0	0	109.5	D539 D540 L541	S537-D539 PolarHBondContact O-N 3.49Å; S537-D540 PolarHBondContact O-N 3.46Å; S537-D540 WeakPolarHBondContact OG-CB 3.3Å; S537-D540 PolarHBondContact OG-N 3.35Å; S537-D540 PolarHBondContact OG-OD2 3.44Å; S537-L541 PolarHBondContact O-N 3.08Å
538	G	74.6	Confident	83.9	Confident	54 Å²	54	69.1 Å²	69.1	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-59.5	-34.6	-176.3	0	0	0	0	0	113.8	N542	G538-N542 PolarHBondContact O-ND2 3.37Å
539	D	75.6	Confident	83.4	Confident	132 Å²	132	71.7 Å²	71.7	71%	0.706	39%	0.387	S	S	*	.	H	α-helix	trans	-73.6	-39.6	177.4	-64.8	-27	0	0	0	111.6	S537 S543	S537-D539 PolarHBondContact O-N 3.49Å; D539-S543 WeakPolarHBondContact O-CB 3.29Å; D539-S543 PolarHBondContact O-N 2.93Å; D539-S543 VanDerWaalsContact O-N 3.16Å; D539-S543 PolarHBondContact O-OG 3.3Å
540	D	74	Confident	83.3	Confident	82 Å²	82	73.5 Å²	73.5	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-66.7	-39.6	177.2	-66.6	-33.5	0	0	0	111.5	S537 N542 S543 L544	S537-D540 PolarHBondContact O-N 3.46Å; S537-D540 WeakPolarHBondContact OG-CB 3.3Å; S537-D540 PolarHBondContact OG-N 3.35Å; S537-D540 PolarHBondContact OG-OD2 3.44Å; D540-N542 PolarHBondContact O-N 3.44Å; D540-S543 PolarHBondContact O-N 2.96Å; D540-L544 WeakPolarHBondContact O-CB 3.36Å; D540-L544 PolarHBondContact O-N 2.68Å
541	L	79.2	Confident	83.2	Confident	28 Å²	28	72 Å²	72	15%	0.147	39%	0.39	C	S	.	.	H	α-helix	trans	-57.1	-37.5	-176.8	-175.4	63.6	0	0	0	112.3	F536 S537 W573 Q576 R577	F536-L541 HydrophobicContact CB-CB 4.29Å; F536-L541 HydrophobicContact CB-CD1 4.36Å; S537-L541 PolarHBondContact O-N 3.08Å; L541-W573 HydrophobicContact CD1-CG 4.34Å; L541-W573 PolarHBondContact O-NE1 2.83Å; L541-Q576 HydrophobicContact CD1-CB 3.83Å; L541-Q576 HydrophobicContact CD2-CB 4.18Å; L541-R577 HydrophobicContact CD1-CG 3.92Å; L541-R577 HydrophobicContact CD2-CG 4.5Å; L541-R577 HydrophobicContact CG-CG 4.18Å
542	N	76.7	Confident	83.2	Confident	121 Å²	121	79.1 Å²	79.1	65%	0.647	42%	0.423	S	S	*	.	H	α-helix	trans	-90.6	-33.2	-178.5	-68.7	-48.3	0	0	0	113.6	G538 D540	G538-N542 PolarHBondContact O-ND2 3.37Å; D540-N542 PolarHBondContact O-N 3.44Å
543	S	73.5	Confident	83.5	Confident	107 Å²	107	79.4 Å²	79.4	75%	0.748	42%	0.417	S	S	*	.	H	α-helix	trans	-89.8	-22.6	-172.7	-52.6	0	0	0	0	113.4	D539 D540	D539-S543 WeakPolarHBondContact O-CB 3.29Å; D539-S543 PolarHBondContact O-N 2.93Å; D539-S543 VanDerWaalsContact O-N 3.16Å; D539-S543 PolarHBondContact O-OG 3.3Å; D540-S543 PolarHBondContact O-N 2.96Å
544	L	74.5	Confident	83.7	Confident	48 Å²	48	74.1 Å²	74.1	25%	0.251	40%	0.403	S	S	.	.			trans	-94.7	124	-173.9	-171.5	67.8	0	0	0	111.5	F536 D540 I546 E549 W573	F536-L544 HydrophobicContact CE1-CD2 4.47Å; D540-L544 WeakPolarHBondContact O-CB 3.36Å; D540-L544 PolarHBondContact O-N 2.68Å; L544-I546 HydrophobicContact CD2-CD1 4.29Å; L544-I546 HydrophobicContact CD2-CG1 4Å; L544-I546 HydrophobicContact CG-CG1 4.14Å; L544-E549 WeakPolarHBondContact CD2-OE1 3.28Å; L544-W573 WeakPolarHBondContact O-CZ2 3.45Å; L544-W573 PolarHBondContact O-NE1 3.01Å
545	D	80.8	Confident	83.8	Confident	34 Å²	34	78.7 Å²	78.7	18%	0.182	44%	0.436	C	S	.	.			trans	-99.9	100.2	163.4	-167	-3	0	0	0	111.3	F416 Q419 G547 E548 R570	F416-D545 WeakPolarHBondContact CD2-OD2 3.47Å; Q419-D545 VanDerWaalsContact CD-OD2 3.23Å; Q419-D545 PolarHBondContact NE2-OD2 2.91Å; Q419-D545 PolarHBondContact OE1-OD2 3.39Å; D545-G547 PolarHBondContact O-N 3.39Å; D545-G547 VanDerWaalsContact O-N 3.13Å; D545-G547 PolarHBondContact OD1-N 2.98Å; D545-E548 PolarHBondContact O-N 2.9Å; D545-E548 VanDerWaalsContact O-N 3.11Å; D545-R570 IonicContact OD1-CZ 2.75Å; D545-R570 IonicContact OD1-NH1 3.69Å; D545-R570 PolarHBondContact OD1-NH1 3.02Å
546	I	83.7	Confident	84.2	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-61.6	-21.7	178.2	-50.1	-163.1	0	0	0	111.8	F536 L544 E548 E549 W566 R569 R570 W573	F536-I546 HydrophobicContact CD1-CD1 4.34Å; F536-I546 HydrophobicContact CE1-CD1 3.3Å; F536-I546 HydrophobicContact CE2-CD1 4.46Å; F536-I546 HydrophobicContact CZ-CD1 3.39Å; L544-I546 HydrophobicContact CD2-CD1 4.29Å; L544-I546 HydrophobicContact CD2-CG1 4Å; L544-I546 HydrophobicContact CG-CG1 4.14Å; I546-E548 PolarHBondContact O-N 2.76Å; I546-E549 PolarHBondContact O-N 3.44Å; I546-W566 PolarHBondContact O-NE1 2.99Å; I546-R569 HydrophobicContact CD1-CG 3.82Å; I546-R569 HydrophobicContact CG2-CG 4.16Å; I546-R570 HydrophobicContact CG2-CB 4.15Å; I546-W573 HydrophobicContact CD1-CB 3.33Å; I546-W573 HydrophobicContact CD1-CD2 4.33Å; I546-W573 HydrophobicContact CD1-CG 3.45Å; I546-W573 VanDerWaalsContact CD1-CG 3.45Å; I546-W573 HydrophobicContact CG1-CB 4.22Å; I546-W573 HydrophobicContact CG1-CD2 4.32Å; I546-W573 HydrophobicContact CG1-CG 3.9Å
547	G	82.3	Confident	84.6	Confident	12 Å²	12	77.7 Å²	77.7	12%	0.124	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-61.5	-30.1	175.5	0	0	0	0	0	113.7	D545	D545-G547 PolarHBondContact O-N 3.39Å; D545-G547 VanDerWaalsContact O-N 3.13Å; D545-G547 PolarHBondContact OD1-N 2.98Å
548	E	83.1	Confident	85.2	Confident	121 Å²	121	78.5 Å²	78.5	57%	0.565	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-90.9	-10.7	177.1	-68	-56.2	90	0	0	113.5	Q419 D545 I546 V550	Q419-E548 HydrophobicContact CG-CG 4.28Å; Q419-E548 WeakPolarHBondContact CG-OE1 3.48Å; Q419-E548 VanDerWaalsContact NE2-CD 3.3Å; Q419-E548 PolarHBondContact NE2-OE1 3.02Å; D545-E548 PolarHBondContact O-N 2.9Å; D545-E548 VanDerWaalsContact O-N 3.11Å; I546-E548 PolarHBondContact O-N 2.76Å; E548-V550 PolarHBondContact O-N 2.81Å; E548-V550 VanDerWaalsContact O-N 3.14Å
549	E	86.2	Confident	86.1	Confident	60 Å²	60	80.5 Å²	80.5	28%	0.28	45%	0.447	S	S	.	.			trans	-61.2	122.5	-179.6	-75.2	-176.9	177.5	0	0	109.6	L544 I546 I551 R569	L544-E549 WeakPolarHBondContact CD2-OE1 3.28Å; I546-E549 PolarHBondContact O-N 3.44Å; E549-I551 PolarHBondContact O-N 2.92Å; E549-R569 IonicContact OE1-CZ 3.61Å; E549-R569 IonicContact OE1-NE 2.76Å; E549-R569 PolarHBondContact OE1-NE 3.41Å; E549-R569 IonicContact OE1-NH2 3.01Å; E549-R569 PolarHBondContact OE1-NH2 3.47Å; E549-R569 WeakPolarHBondContact OE2-CD 3.4Å; E549-R569 IonicContact OE2-NE 3.75Å; E549-R569 PolarHBondContact OE2-NE 3.33Å
550	V	89.7	Confident	87	Confident	122 Å²	122	74.5 Å²	74.5	74%	0.739	42%	0.416	S	S	*	.			trans	-60.1	132.3	171.3	179.3	0	0	0	0	108.2	E548 Q552	E548-V550 PolarHBondContact O-N 2.81Å; E548-V550 VanDerWaalsContact O-N 3.14Å; V550-Q552 VanDerWaalsContact C-N 3.31Å; V550-Q552 PolarHBondContact O-N 3.34Å
551	I	93.3	Very high	88.1	Confident	24 Å²	24	74.3 Å²	74.3	12%	0.123	41%	0.412	C	S	.	.			trans	-64.8	94.2	174.5	-60.9	168.4	0	0	0	108.5	E549 R553 A562 F563 W566	E549-I551 PolarHBondContact O-N 2.92Å; I551-R553 PolarHBondContact O-N 3.05Å; I551-R553 PolarHBondContact O-NH1 2.88Å; I551-A562 HydrophobicContact CG2-CB 3.81Å; I551-F563 HydrophobicContact CD1-CD2 3.69Å; I551-F563 HydrophobicContact CD1-CE2 4.27Å; I551-W566 HydrophobicContact CG1-CB 4.01Å; I551-W566 HydrophobicContact CG1-CD2 4.32Å; I551-W566 HydrophobicContact CG1-CG 3.84Å
552	Q	93	Very high	88.9	Confident	148 Å²	148	73.2 Å²	73.2	69%	0.692	41%	0.407	S	S	*	.			trans	-67.3	125.4	178.3	-65.4	-178.5	5.8	0	0	108.8	V550 R565	V550-Q552 VanDerWaalsContact C-N 3.31Å; V550-Q552 PolarHBondContact O-N 3.34Å; Q552-R565 PolarHBondContact O-NH2 3.46Å
553	R	94.3	Very high	89.9	Confident	99 Å²	99	67.4 Å²	67.4	37%	0.374	38%	0.377	S	S	.	.			trans	-110.3	123.1	179.4	-72.4	176.1	178.6	90.8	-8.7	109.2	I551 D557 A562 Q618 D619	I551-R553 PolarHBondContact O-N 3.05Å; I551-R553 PolarHBondContact O-NH1 2.88Å; R553-D557 WeakPolarHBondContact CA-OD2 3.33Å; R553-A562 HydrophobicContact CB-CB 4.31Å; R553-A562 HydrophobicContact CG-CB 3.45Å; R553-A562 VanDerWaalsContact CG-CB 3.45Å; R553-Q618 VanDerWaalsContact NE-NE2 3.15Å; R553-D619 IonicContact CZ-OD1 2.69Å; R553-D619 IonicContact NE-OD1 3.63Å; R553-D619 IonicContact NH2-OD1 3.63Å; R553-D619 PolarHBondContact NH2-OD1 3.39Å; R553-D619 IonicContact NH2-OD2 3.38Å; R553-D619 PolarHBondContact NH2-OD2 2.99Å
554	L	95.6	Very high	91	Very high	90 Å²	90	62.6 Å²	62.6	47%	0.471	34%	0.343	S	S	.	.			trans	-85.9	149.5	176.8	-57.9	177.4	0	0	0	109.5	T556 D557	L554-T556 PolarHBondContact O-N 2.75Å; L554-D557 PolarHBondContact N-OD2 2.98Å; L554-D557 WeakPolarHBondContact O-CB 3.41Å; L554-D557 PolarHBondContact O-N 3.46Å
555	P	95.2	Very high	92	Very high	140 Å²	140	64.5 Å²	64.5	91%	0.909	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.4	176.9	-24.8	34.6	0	0	0	114.1
556	T	94.6	Very high	92.8	Very high	115 Å²	115	63.5 Å²	63.5	71%	0.706	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.6	178.5	54.9	0	0	0	0	113.7	L554 T558	L554-T556 PolarHBondContact O-N 2.75Å; T556-T558 PolarHBondContact O-N 3.2Å
557	D	95.4	Very high	93.4	Very high	36 Å²	36	64 Å²	64	19%	0.193	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.7	-175.8	-76	-28.1	0	0	0	110.5	R553 L554 E561 A562 R565	R553-D557 WeakPolarHBondContact CA-OD2 3.33Å; L554-D557 PolarHBondContact N-OD2 2.98Å; L554-D557 WeakPolarHBondContact O-CB 3.41Å; L554-D557 PolarHBondContact O-N 3.46Å; D557-E561 VanDerWaalsContact CA-OE2 3.29Å; D557-E561 WeakPolarHBondContact CA-OE2 3.5Å; D557-E561 HydrophobicContact CB-CB 4.2Å; D557-A562 WeakPolarHBondContact OD2-CB 3.45Å; D557-R565 IonicContact OD1-CZ 2.71Å; D557-R565 IonicContact OD1-NH1 2.96Å; D557-R565 PolarHBondContact OD1-NH1 3.04Å; D557-R565 IonicContact OD1-NH2 3.79Å; D557-R565 IonicContact OD2-CZ 3.44Å; D557-R565 IonicContact OD2-NH1 3.16Å; D557-R565 PolarHBondContact OD2-NH1 3.35Å; D557-R565 IonicContact OD2-NH2 3.72Å; D557-R565 PolarHBondContact OD2-NH2 3.34Å
558	T	94.3	Very high	94	Very high	76 Å²	76	65.6 Å²	65.6	47%	0.466	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-78.3	160.5	164.4	73.6	0	0	0	0	110.9	T556 G560 E561	T556-T558 PolarHBondContact O-N 3.2Å; T558-G560 PolarHBondContact O-N 3.35Å; T558-G560 VanDerWaalsContact O-N 3.12Å; T558-E561 PolarHBondContact N-OE2 2.85Å; T558-E561 WeakPolarHBondContact O-CB 3.49Å; T558-E561 PolarHBondContact O-N 3.03Å; T558-E561 VanDerWaalsContact OG1-CG 3.31Å; T558-E561 WeakPolarHBondContact OG1-CG 3.23Å; T558-E561 PolarHBondContact OG1-OE1 2.71Å
559	P	93.6	Very high	94.5	Very high	96 Å²	96	63.5 Å²	63.5	62%	0.623	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	121.9	179.2	-27.5	35.8	0	0	0	112.3
560	G	94.3	Very high	94.9	Very high	6 Å²	6	60.7 Å²	60.7	6%	0.062	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-21.2	-178.8	0	0	0	0	0	116.1	T558 A562 F563 D564 Q618 D619	T558-G560 PolarHBondContact O-N 3.35Å; T558-G560 VanDerWaalsContact O-N 3.12Å; G560-A562 VanDerWaalsContact C-N 3.33Å; G560-A562 PolarHBondContact O-N 3.47Å; G560-F563 PolarHBondContact O-N 2.99Å; G560-F563 VanDerWaalsContact O-N 3.15Å; G560-D564 PolarHBondContact O-N 2.77Å; G560-Q618 PolarHBondContact N-O 2.87Å; G560-D619 VanDerWaalsContact CA-C 3.42Å; G560-D619 WeakPolarHBondContact CA-O 3.43Å
561	E	96.3	Very high	95.1	Very high	77 Å²	77	54.9 Å²	54.9	36%	0.36	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-40.7	-177.7	-79.4	175.9	-175.2	0	0	112.9	D557 T558 F563 D564 R565	D557-E561 VanDerWaalsContact CA-OE2 3.29Å; D557-E561 WeakPolarHBondContact CA-OE2 3.5Å; D557-E561 HydrophobicContact CB-CB 4.2Å; T558-E561 PolarHBondContact N-OE2 2.85Å; T558-E561 WeakPolarHBondContact O-CB 3.49Å; T558-E561 PolarHBondContact O-N 3.03Å; T558-E561 VanDerWaalsContact OG1-CG 3.31Å; T558-E561 WeakPolarHBondContact OG1-CG 3.23Å; T558-E561 PolarHBondContact OG1-OE1 2.71Å; E561-F563 PolarHBondContact O-N 3.21Å; E561-D564 PolarHBondContact O-N 3.18Å; E561-R565 WeakPolarHBondContact O-CB 3.23Å; E561-R565 PolarHBondContact O-N 2.78Å
562	A	97.2	Very high	95.1	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-41.9	176.9	0	0	0	0	0	112.6	I551 R553 D557 G560 R565 W566	I551-A562 HydrophobicContact CG2-CB 3.81Å; R553-A562 HydrophobicContact CB-CB 4.31Å; R553-A562 HydrophobicContact CG-CB 3.45Å; R553-A562 VanDerWaalsContact CG-CB 3.45Å; D557-A562 WeakPolarHBondContact OD2-CB 3.45Å; G560-A562 VanDerWaalsContact C-N 3.33Å; G560-A562 PolarHBondContact O-N 3.47Å; A562-R565 PolarHBondContact O-N 3.31Å; A562-W566 PolarHBondContact O-N 3.48Å
563	F	97	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-41.2	177.1	-177.2	-128.3	0	0	0	111	F479 W503 I551 G560 E561 R565 W566 R567 W611 R615 D619	F479-F563 HydrophobicContact CB-CZ 4.41Å; W503-F563 HydrophobicContact CB-CZ 4.07Å; I551-F563 HydrophobicContact CD1-CD2 3.69Å; I551-F563 HydrophobicContact CD1-CE2 4.27Å; G560-F563 PolarHBondContact O-N 2.99Å; G560-F563 VanDerWaalsContact O-N 3.15Å; E561-F563 PolarHBondContact O-N 3.21Å; F563-R565 VanDerWaalsContact C-N 3.31Å; F563-R565 PolarHBondContact O-N 3.07Å; F563-W566 AromaticContact CD2-CE3 3.98Å; F563-W566 HydrophobicContact CD2-CE3 3.98Å; F563-W566 AromaticContact CE2-CE3 3.68Å; F563-W566 HydrophobicContact CE2-CE3 3.68Å; F563-W566 AromaticContact CE2-CZ3 3.86Å; F563-W566 HydrophobicContact CE2-CZ3 3.86Å; F563-W566 PolarHBondContact O-N 3.19Å; F563-R567 HydrophobicContact CD1-CG 4.35Å; F563-R567 VanDerWaalsContact CD1-CZ 3.4Å; F563-R567 HydrophobicContact CD2-CG 4.05Å; F563-R567 HydrophobicContact CE1-CG 4.09Å; F563-R567 HydrophobicContact CE2-CG 3.77Å; F563-R567 HydrophobicContact CG-CG 4.36Å; F563-R567 VanDerWaalsContact CZ-CD 3.44Å; F563-R567 HydrophobicContact CZ-CG 3.81Å; F563-R567 WeakPolarHBondContact O-CB 3.22Å; F563-R567 VanDerWaalsContact O-CG 3.29Å; F563-R567 WeakPolarHBondContact O-CG 3.45Å; F563-R567 PolarHBondContact O-N 3.02Å; F563-W611 AromaticContact CD1-CH2 3.54Å; F563-W611 HydrophobicContact CD1-CH2 3.54Å; F563-W611 HydrophobicContact CD1-CZ2 4.48Å; F563-W611 HydrophobicContact CD1-CZ3 4.26Å; F563-W611 AromaticContact CE1-CH2 3.29Å; F563-W611 HydrophobicContact CE1-CH2 3.29Å; F563-W611 HydrophobicContact CE1-CZ2 4.43Å; F563-W611 AromaticContact CE1-CZ3 3.57Å; F563-W611 HydrophobicContact CE1-CZ3 3.57Å; F563-W611 HydrophobicContact CG-CH2 4.48Å; F563-W611 HydrophobicContact CZ-CH2 4.07Å; F563-W611 AromaticContact CZ-CZ3 3.95Å; F563-W611 HydrophobicContact CZ-CZ3 3.95Å; F563-R615 VanDerWaalsContact CE2-NH1 3.32Å; F563-D619 HydrophobicContact CB-CB 4.11Å; F563-D619 HydrophobicContact CD1-CB 4.45Å; F563-D619 HydrophobicContact CG-CB 4.48Å
564	D	97.2	Very high	94.9	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-40.9	174.5	-72.7	-17.6	0	0	0	112.1	K527 F528 G560 E561 R567 R568	K527-D564 WeakPolarHBondContact CE-OD2 3.38Å; K527-D564 IonicContact NZ-OD2 2.88Å; K527-D564 PolarHBondContact NZ-OD2 2.79Å; F528-D564 HydrophobicContact CE1-CB 3.96Å; F528-D564 HydrophobicContact CZ-CB 4.41Å; G560-D564 PolarHBondContact O-N 2.77Å; E561-D564 PolarHBondContact O-N 3.18Å; D564-R567 PolarHBondContact O-N 3.29Å; D564-R567 IonicContact OD1-CZ 2.83Å; D564-R567 IonicContact OD1-NE 3.86Å; D564-R567 IonicContact OD1-NH2 3.73Å; D564-R567 PolarHBondContact OD1-NH2 2.96Å; D564-R568 WeakPolarHBondContact O-CB 3.06Å; D564-R568 VanDerWaalsContact O-CG 3.31Å; D564-R568 WeakPolarHBondContact O-CG 3.47Å; D564-R568 PolarHBondContact O-N 2.91Å
565	R	95.9	Very high	94.6	Very high	87 Å²	87	41 Å²	41	33%	0.328	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-45.5	174.2	-178.4	173.1	54.2	-106.6	3.2	111.8	Q552 D557 E561 A562 F563 R569	Q552-R565 PolarHBondContact O-NH2 3.46Å; D557-R565 IonicContact OD1-CZ 2.71Å; D557-R565 IonicContact OD1-NH1 2.96Å; D557-R565 PolarHBondContact OD1-NH1 3.04Å; D557-R565 IonicContact OD1-NH2 3.79Å; D557-R565 IonicContact OD2-CZ 3.44Å; D557-R565 IonicContact OD2-NH1 3.16Å; D557-R565 PolarHBondContact OD2-NH1 3.35Å; D557-R565 IonicContact OD2-NH2 3.72Å; D557-R565 PolarHBondContact OD2-NH2 3.34Å; E561-R565 WeakPolarHBondContact O-CB 3.23Å; E561-R565 PolarHBondContact O-N 2.78Å; A562-R565 PolarHBondContact O-N 3.31Å; F563-R565 VanDerWaalsContact C-N 3.31Å; F563-R565 PolarHBondContact O-N 3.07Å; R565-R569 WeakPolarHBondContact O-CB 3.2Å; R565-R569 PolarHBondContact O-N 2.98Å; R565-R569 VanDerWaalsContact O-N 3.16Å
566	W	95.9	Very high	94.3	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-46.6	175.1	177.4	86.3	0	0	0	111.7	W503 I546 I551 A562 F563 R568 R569 R570	W503-W566 HydrophobicContact CB-CZ3 4.02Å; W503-W566 HydrophobicContact CD2-CZ3 4.2Å; W503-W566 HydrophobicContact CE3-CZ3 4.46Å; W503-W566 HydrophobicContact CG-CH2 4.3Å; W503-W566 AromaticContact CG-CZ3 4Å; W503-W566 HydrophobicContact CG-CZ3 4Å; I546-W566 PolarHBondContact O-NE1 2.99Å; I551-W566 HydrophobicContact CG1-CB 4.01Å; I551-W566 HydrophobicContact CG1-CD2 4.32Å; I551-W566 HydrophobicContact CG1-CG 3.84Å; A562-W566 PolarHBondContact O-N 3.48Å; F563-W566 AromaticContact CD2-CE3 3.98Å; F563-W566 HydrophobicContact CD2-CE3 3.98Å; F563-W566 AromaticContact CE2-CE3 3.68Å; F563-W566 HydrophobicContact CE2-CE3 3.68Å; F563-W566 AromaticContact CE2-CZ3 3.86Å; F563-W566 HydrophobicContact CE2-CZ3 3.86Å; F563-W566 PolarHBondContact O-N 3.19Å; W566-R568 PolarHBondContact O-N 2.94Å; W566-R569 PolarHBondContact O-N 3.1Å; W566-R570 HydrophobicContact CH2-CG 4.39Å; W566-R570 PolarHBondContact O-N 2.99Å
567	R	96.3	Very high	93.9	Very high	11 Å²	11	37.7 Å²	37.7	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-40.3	179.8	-69.8	-168.3	-76.8	-177	-3.9	113.3	W503 A505 M507 F563 D564 R569 R570 L571	W503-R567 HydrophobicContact CB-CG 4.41Å; W503-R567 HydrophobicContact CE3-CB 4.04Å; W503-R567 HydrophobicContact CE3-CG 3.91Å; W503-R567 HydrophobicContact CZ3-CB 4.35Å; W503-R567 WeakPolarHBondContact O-CD 3.46Å; W503-R567 PolarHBondContact O-NH1 2.7Å; A505-R567 PolarHBondContact O-NH1 3.41Å; M507-R567 HydrophobicContact SD-CB 3.99Å; F563-R567 HydrophobicContact CD1-CG 4.35Å; F563-R567 VanDerWaalsContact CD1-CZ 3.4Å; F563-R567 HydrophobicContact CD2-CG 4.05Å; F563-R567 HydrophobicContact CE1-CG 4.09Å; F563-R567 HydrophobicContact CE2-CG 3.77Å; F563-R567 HydrophobicContact CG-CG 4.36Å; F563-R567 VanDerWaalsContact CZ-CD 3.44Å; F563-R567 HydrophobicContact CZ-CG 3.81Å; F563-R567 WeakPolarHBondContact O-CB 3.22Å; F563-R567 VanDerWaalsContact O-CG 3.29Å; F563-R567 WeakPolarHBondContact O-CG 3.45Å; F563-R567 PolarHBondContact O-N 3.02Å; D564-R567 PolarHBondContact O-N 3.29Å; D564-R567 IonicContact OD1-CZ 2.83Å; D564-R567 IonicContact OD1-NE 3.86Å; D564-R567 IonicContact OD1-NH2 3.73Å; D564-R567 PolarHBondContact OD1-NH2 2.96Å; R567-R569 VanDerWaalsContact C-N 3.31Å; R567-R569 PolarHBondContact O-N 2.84Å; R567-R570 PolarHBondContact O-N 3.3Å; R567-L571 WeakPolarHBondContact O-CB 3.43Å; R567-L571 PolarHBondContact O-N 2.93Å
568	R	95.8	Very high	93.4	Very high	45 Å²	45	39.1 Å²	39.1	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-48.2	173	-77.3	-172.6	-172.9	89.4	-0.4	110.8	K527 F528 D530 V531 I534 D564 W566 L571 A572	K527-R568 PolarHBondContact O-NH2 2.9Å; F528-R568 HydrophobicContact CD1-CG 3.78Å; F528-R568 HydrophobicContact CE1-CG 4.35Å; D530-R568 WeakPolarHBondContact OD1-CD 3.41Å; D530-R568 IonicContact OD1-CZ 3.64Å; D530-R568 IonicContact OD1-NE 3.64Å; D530-R568 PolarHBondContact OD1-NE 3.47Å; D530-R568 VanDerWaalsContact OD2-CD 3.31Å; D530-R568 WeakPolarHBondContact OD2-CD 3.49Å; D530-R568 IonicContact OD2-NE 3.98Å; D530-R568 PolarHBondContact OD2-NE 3.2Å; D530-R568 VanDerWaalsContact OD2-NE 3.16Å; V531-R568 HydrophobicContact CG2-CB 3.93Å; V531-R568 HydrophobicContact CG2-CG 3.73Å; I534-R568 HydrophobicContact CD1-CB 3.73Å; D564-R568 WeakPolarHBondContact O-CB 3.06Å; D564-R568 VanDerWaalsContact O-CG 3.31Å; D564-R568 WeakPolarHBondContact O-CG 3.47Å; D564-R568 PolarHBondContact O-N 2.91Å; W566-R568 PolarHBondContact O-N 2.94Å; R568-L571 PolarHBondContact O-N 3.12Å; R568-A572 WeakPolarHBondContact O-CB 3.38Å; R568-A572 PolarHBondContact O-N 3.24Å
569	R	94.4	Very high	93.1	Very high	77 Å²	77	37.5 Å²	37.5	29%	0.291	19%	0.189	S	C	.	.	H	α-helix	trans	-64.6	-45.2	-179.4	-171.7	-179.9	168.4	73.4	-6	111.6	F536 I546 E549 R565 W566 R567 L571 A572 W573	F536-R569 HydrophobicContact CE1-CG 4.01Å; F536-R569 VanDerWaalsContact CE1-CZ 3.46Å; F536-R569 HydrophobicContact CZ-CG 3.66Å; F536-R569 WeakPolarHBondContact CZ-O 3.48Å; I546-R569 HydrophobicContact CD1-CG 3.82Å; I546-R569 HydrophobicContact CG2-CG 4.16Å; E549-R569 IonicContact OE1-CZ 3.61Å; E549-R569 IonicContact OE1-NE 2.76Å; E549-R569 PolarHBondContact OE1-NE 3.41Å; E549-R569 IonicContact OE1-NH2 3.01Å; E549-R569 PolarHBondContact OE1-NH2 3.47Å; E549-R569 WeakPolarHBondContact OE2-CD 3.4Å; E549-R569 IonicContact OE2-NE 3.75Å; E549-R569 PolarHBondContact OE2-NE 3.33Å; R565-R569 WeakPolarHBondContact O-CB 3.2Å; R565-R569 PolarHBondContact O-N 2.98Å; R565-R569 VanDerWaalsContact O-N 3.16Å; W566-R569 PolarHBondContact O-N 3.1Å; R567-R569 VanDerWaalsContact C-N 3.31Å; R567-R569 PolarHBondContact O-N 2.84Å; R569-L571 PolarHBondContact O-N 2.59Å; R569-A572 PolarHBondContact O-N 2.94Å; R569-W573 WeakPolarHBondContact O-CB 3.38Å; R569-W573 PolarHBondContact O-N 2.7Å
570	R	94.4	Very high	92.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-44.9	175.9	-178.5	61.1	178.2	-176.3	-3.5	111.8	D482 W503 D545 I546 W566 R567 W573 L574	D482-R570 IonicContact OD1-NE 3.49Å; D482-R570 IonicContact OD1-NH2 2.78Å; D482-R570 IonicContact OD2-CZ 3.84Å; D482-R570 IonicContact OD2-NE 2.76Å; D482-R570 IonicContact OD2-NH2 2.72Å; D482-R570 PolarHBondContact OD2-NH2 3.38Å; W503-R570 HydrophobicContact CH2-CB 4.07Å; W503-R570 HydrophobicContact CH2-CG 3.62Å; W503-R570 HydrophobicContact CZ2-CB 4.39Å; W503-R570 HydrophobicContact CZ2-CG 3.48Å; W503-R570 VanDerWaalsContact CZ2-CG 3.48Å; W503-R570 HydrophobicContact CZ3-CB 4.26Å; W503-R570 HydrophobicContact CZ3-CG 4.21Å; D545-R570 IonicContact OD1-CZ 2.75Å; D545-R570 IonicContact OD1-NH1 3.69Å; D545-R570 PolarHBondContact OD1-NH1 3.02Å; I546-R570 HydrophobicContact CG2-CB 4.15Å; W566-R570 HydrophobicContact CH2-CG 4.39Å; W566-R570 PolarHBondContact O-N 2.99Å; R567-R570 PolarHBondContact O-N 3.3Å; R570-W573 VanDerWaalsContact NH1-CZ3 3.35Å; R570-W573 PolarHBondContact O-N 2.84Å; R570-L574 HydrophobicContact CG-CD1 4.44Å; R570-L574 WeakPolarHBondContact O-CG 3.32Å; R570-L574 PolarHBondContact O-N 3.22Å
571	L	93.9	Very high	92.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-43.4	179	-176.7	58.2	0	0	0	112.5	W503 M504 M507 L524 V531 R567 R568 R569 W573 L574 R575 A581	W503-L571 HydrophobicContact CH2-CB 4.02Å; W503-L571 HydrophobicContact CH2-CD1 4.43Å; W503-L571 HydrophobicContact CZ3-CB 4.07Å; M504-L571 HydrophobicContact CE-CD1 3.59Å; M504-L571 HydrophobicContact CE-CD2 3.82Å; M504-L571 HydrophobicContact CE-CG 4.34Å; M504-L571 HydrophobicContact SD-CD1 3.91Å; M507-L571 HydrophobicContact CE-CB 4.33Å; M507-L571 HydrophobicContact CE-CD2 3.58Å; L524-L571 HydrophobicContact CD1-CD2 3.8Å; L524-L571 HydrophobicContact CD2-CD2 3.75Å; L524-L571 HydrophobicContact CG-CD2 4.41Å; V531-L571 HydrophobicContact CG1-CB 4.1Å; V531-L571 HydrophobicContact CG1-CD2 4.07Å; V531-L571 HydrophobicContact CG1-CG 3.96Å; V531-L571 HydrophobicContact CG2-CD2 4.44Å; R567-L571 WeakPolarHBondContact O-CB 3.43Å; R567-L571 PolarHBondContact O-N 2.93Å; R568-L571 PolarHBondContact O-N 3.12Å; R569-L571 PolarHBondContact O-N 2.59Å; L571-W573 VanDerWaalsContact C-N 3.26Å; L571-W573 PolarHBondContact O-N 3.46Å; L571-L574 PolarHBondContact O-N 3.36Å; L571-R575 HydrophobicContact CD1-CG 4.29Å; L571-R575 HydrophobicContact CG-CG 4.49Å; L571-R575 WeakPolarHBondContact O-CG 3.4Å; L571-R575 PolarHBondContact O-N 2.93Å; L571-A581 HydrophobicContact CD1-CB 4.19Å
572	A	93.1	Very high	92.1	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-42	176.4	0	0	0	0	0	111.5	V531 I534 F536 R568 R569 R575 Q576	V531-A572 HydrophobicContact CG1-CB 3.94Å; V531-A572 WeakPolarHBondContact O-CB 3.35Å; I534-A572 HydrophobicContact CB-CB 3.75Å; I534-A572 HydrophobicContact CD1-CB 4.46Å; I534-A572 HydrophobicContact CG2-CB 4.02Å; F536-A572 HydrophobicContact CE2-CB 3.89Å; R568-A572 WeakPolarHBondContact O-CB 3.38Å; R568-A572 PolarHBondContact O-N 3.24Å; R569-A572 PolarHBondContact O-N 2.94Å; A572-R575 PolarHBondContact O-N 3.43Å; A572-Q576 WeakPolarHBondContact O-CG 3.4Å; A572-Q576 PolarHBondContact O-N 2.96Å
573	W	91.7	Very high	92	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-42.9	176.8	-179.2	89	0	0	0	112.6	F416 F536 L541 L544 I546 R569 R570 L571 Q576 R577	F416-W573 HydrophobicContact CD2-CH2 4.42Å; F416-W573 AromaticContact CE2-CH2 3.39Å; F416-W573 HydrophobicContact CE2-CH2 3.39Å; F416-W573 HydrophobicContact CE2-CZ2 4.4Å; F416-W573 AromaticContact CE2-CZ3 3.93Å; F416-W573 HydrophobicContact CE2-CZ3 3.93Å; F416-W573 AromaticContact CZ-CH2 3.49Å; F416-W573 HydrophobicContact CZ-CH2 3.49Å; F416-W573 VanDerWaalsContact CZ-CH2 3.49Å; F416-W573 AromaticContact CZ-CZ3 3.7Å; F416-W573 HydrophobicContact CZ-CZ3 3.7Å; F536-W573 HydrophobicContact CD2-CB 4.42Å; F536-W573 HydrophobicContact CE1-CB 4.46Å; F536-W573 HydrophobicContact CE2-CB 3.77Å; F536-W573 HydrophobicContact CZ-CB 3.78Å; L541-W573 HydrophobicContact CD1-CG 4.34Å; L541-W573 PolarHBondContact O-NE1 2.83Å; L544-W573 WeakPolarHBondContact O-CZ2 3.45Å; L544-W573 PolarHBondContact O-NE1 3.01Å; I546-W573 HydrophobicContact CD1-CB 3.33Å; I546-W573 HydrophobicContact CD1-CD2 4.33Å; I546-W573 HydrophobicContact CD1-CG 3.45Å; I546-W573 VanDerWaalsContact CD1-CG 3.45Å; I546-W573 HydrophobicContact CG1-CB 4.22Å; I546-W573 HydrophobicContact CG1-CD2 4.32Å; I546-W573 HydrophobicContact CG1-CG 3.9Å; R569-W573 WeakPolarHBondContact O-CB 3.38Å; R569-W573 PolarHBondContact O-N 2.7Å; R570-W573 VanDerWaalsContact NH1-CZ3 3.35Å; R570-W573 PolarHBondContact O-N 2.84Å; L571-W573 VanDerWaalsContact C-N 3.26Å; L571-W573 PolarHBondContact O-N 3.46Å; W573-Q576 PolarHBondContact O-N 3.35Å; W573-R577 WeakPolarHBondContact O-CG 3.45Å; W573-R577 PolarHBondContact O-N 2.96Å
574	L	90.8	Very high	91.9	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-46.3	174.3	-74.2	173.9	0	0	0	111.7	Y501 W503 R570 L571 Q576 R577 G578 V579 A581	Y501-L574 HydrophobicContact CD1-CD1 4.22Å; Y501-L574 HydrophobicContact CE1-CD1 3.71Å; W503-L574 HydrophobicContact CH2-CD1 3.94Å; W503-L574 HydrophobicContact CZ2-CD1 3.66Å; R570-L574 HydrophobicContact CG-CD1 4.44Å; R570-L574 WeakPolarHBondContact O-CG 3.32Å; R570-L574 PolarHBondContact O-N 3.22Å; L571-L574 PolarHBondContact O-N 3.36Å; L574-Q576 PolarHBondContact O-N 3.43Å; L574-R577 CarbonylContact O-C 3.6Å; L574-R577 WeakPolarHBondContact O-CA 3.23Å; L574-R577 PolarHBondContact O-N 3.32Å; L574-G578 PolarHBondContact O-N 3.01Å; L574-V579 HydrophobicContact CB-CB 4.08Å; L574-V579 HydrophobicContact CB-CG1 4.41Å; L574-V579 HydrophobicContact CD2-CB 4.23Å; L574-V579 HydrophobicContact CD2-CG1 4.21Å; L574-V579 HydrophobicContact CD2-CG2 4.42Å; L574-V579 WeakPolarHBondContact O-CB 3.2Å; L574-V579 PolarHBondContact O-N 3.5Å; L574-A581 HydrophobicContact CD1-CB 4.03Å
575	R	89.4	Confident	91.9	Very high	57 Å²	57	30.9 Å²	30.9	22%	0.215	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-41	179.6	-74.9	-177.7	174.8	-165.5	-4.4	112.8	C522 D532 L571 A572 R577 G578	C522-R575 PolarHBondContact O-NH2 3.35Å; C522-R575 PolarHBondContact SG-NH2 3.48Å; D532-R575 VanDerWaalsContact CG-NH1 3.26Å; D532-R575 WeakPolarHBondContact OD1-CD 3.48Å; D532-R575 IonicContact OD1-CZ 2.95Å; D532-R575 IonicContact OD1-NE 2.98Å; D532-R575 IonicContact OD1-NH1 2.75Å; D532-R575 PolarHBondContact OD1-NH1 2.68Å; D532-R575 IonicContact OD2-NH1 3.96Å; D532-R575 PolarHBondContact OD2-NH1 3.33Å; L571-R575 HydrophobicContact CD1-CG 4.29Å; L571-R575 HydrophobicContact CG-CG 4.49Å; L571-R575 WeakPolarHBondContact O-CG 3.4Å; L571-R575 PolarHBondContact O-N 2.93Å; A572-R575 PolarHBondContact O-N 3.43Å; R575-R577 PolarHBondContact O-N 2.94Å; R575-G578 WeakPolarHBondContact O-CA 3.35Å; R575-G578 PolarHBondContact O-N 3.08Å
576	Q	88.9	Confident	91.8	Very high	69 Å²	69	26.8 Å²	26.8	32%	0.322	13%	0.133	S	C	.	.	H	α-helix	trans	-66.3	-19.9	175.9	-76.5	176.3	35.6	0	0	113.5	I534 L541 A572 W573 L574 G578	I534-Q576 PolarHBondContact O-NE2 2.98Å; L541-Q576 HydrophobicContact CD1-CB 3.83Å; L541-Q576 HydrophobicContact CD2-CB 4.18Å; A572-Q576 WeakPolarHBondContact O-CG 3.4Å; A572-Q576 PolarHBondContact O-N 2.96Å; W573-Q576 PolarHBondContact O-N 3.35Å; L574-Q576 PolarHBondContact O-N 3.43Å; Q576-G578 VanDerWaalsContact C-N 3.32Å
577	R	87	Confident	91.8	Very high	118 Å²	118	26.1 Å²	26.1	45%	0.445	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	9.3	171.2	-63.3	-174.6	64.8	163.1	4.4	113.2	L541 W573 L574 R575 V579	L541-R577 HydrophobicContact CD1-CG 3.92Å; L541-R577 HydrophobicContact CD2-CG 4.5Å; L541-R577 HydrophobicContact CG-CG 4.18Å; W573-R577 WeakPolarHBondContact O-CG 3.45Å; W573-R577 PolarHBondContact O-N 2.96Å; L574-R577 CarbonylContact O-C 3.6Å; L574-R577 WeakPolarHBondContact O-CA 3.23Å; L574-R577 PolarHBondContact O-N 3.32Å; R575-R577 PolarHBondContact O-N 2.94Å; R577-V579 VanDerWaalsContact C-N 3.32Å
578	G	84.8	Confident	91.7	Very high	65 Å²	65	25.6 Å²	25.6	67%	0.67	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	15.5	-179.8	0	0	0	0	0	114.3	L574 R575 Q576	L574-G578 PolarHBondContact O-N 3.01Å; R575-G578 WeakPolarHBondContact O-CA 3.35Å; R575-G578 PolarHBondContact O-N 3.08Å; Q576-G578 VanDerWaalsContact C-N 3.32Å
579	V	86.2	Confident	91.4	Very high	42 Å²	42	23.7 Å²	23.7	26%	0.255	12%	0.122	S	C	.	.			trans	-91.9	111.5	178.8	-178.3	0	0	0	0	109.8	Y501 L574 R577 A581	Y501-V579 WeakPolarHBondContact OH-CG1 3.21Å; L574-V579 HydrophobicContact CB-CB 4.08Å; L574-V579 HydrophobicContact CB-CG1 4.41Å; L574-V579 HydrophobicContact CD2-CB 4.23Å; L574-V579 HydrophobicContact CD2-CG1 4.21Å; L574-V579 HydrophobicContact CD2-CG2 4.42Å; L574-V579 WeakPolarHBondContact O-CB 3.2Å; L574-V579 PolarHBondContact O-N 3.5Å; R577-V579 VanDerWaalsContact C-N 3.32Å; V579-A581 VanDerWaalsContact C-N 3.34Å; V579-A581 HydrophobicContact CG1-CB 4.4Å; V579-A581 PolarHBondContact O-N 3.32Å; V579-A581 VanDerWaalsContact O-N 3.17Å
580	N	81.8	Confident	91	Very high	47 Å²	47	20.1 Å²	20.1	25%	0.251	11%	0.109	S	C	.	.			trans	-87.3	70.7	174.8	-172.8	28.3	0	0	0	111.1	C522 Y664	C522-N580 WeakPolarHBondContact CB-OD1 3.47Å; N580-Y664 WeakPolarHBondContact O-CD2 3.35Å
581	A	90.2	Very high	90.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.			trans	-64.7	142.8	-176.6	0	0	0	0	0	113	Y501 M504 C522 L571 L574 V579	Y501-A581 HydrophobicContact CD1-CB 4Å; Y501-A581 HydrophobicContact CD2-CB 3.66Å; Y501-A581 HydrophobicContact CE1-CB 3.82Å; Y501-A581 HydrophobicContact CE2-CB 3.44Å; Y501-A581 VanDerWaalsContact CE2-CB 3.44Å; Y501-A581 HydrophobicContact CG-CB 3.91Å; M504-A581 HydrophobicContact CE-CB 4.35Å; M504-A581 VanDerWaalsContact CE-O 3.27Å; M504-A581 WeakPolarHBondContact CE-O 3.25Å; M504-A581 HydrophobicContact SD-CB 3.52Å; M504-A581 VanDerWaalsContact SD-CB 3.52Å; C522-A581 PolarHBondContact SG-O 3.26Å; L571-A581 HydrophobicContact CD1-CB 4.19Å; L574-A581 HydrophobicContact CD1-CB 4.03Å; V579-A581 VanDerWaalsContact C-N 3.34Å; V579-A581 HydrophobicContact CG1-CB 4.4Å; V579-A581 PolarHBondContact O-N 3.32Å; V579-A581 VanDerWaalsContact O-N 3.17Å
582	M	92.1	Very high	88.9	Confident	5 Å²	5	25.4 Å²	25.4	3%	0.025	14%	0.142	C	C	.	.			trans	-141.3	137.4	175.6	-80.4	-74.1	-85.2	0	0	111.5	Y501 V508 Y510 L513 C522 C584 Y664	Y501-M582 WeakPolarHBondContact CD2-O 3.36Å; V508-M582 HydrophobicContact CG1-CE 4.16Å; V508-M582 HydrophobicContact CG1-SD 4.23Å; V508-M582 HydrophobicContact CG2-SD 4.11Å; Y510-M582 HydrophobicContact CD1-CE 4.3Å; Y510-M582 HydrophobicContact CE1-CE 3.44Å; Y510-M582 VanDerWaalsContact CE1-CE 3.44Å; Y510-M582 HydrophobicContact CE2-CE 4.42Å; Y510-M582 WeakPolarHBondContact OH-CE 3.32Å; L513-M582 HydrophobicContact CD1-CE 3.73Å; C522-M582 HydrophobicContact CB-CG 4.31Å; C522-M582 HydrophobicContact CB-SD 3.82Å; C522-M582 VanDerWaalsContact SG-SD 3.63Å; M582-C584 PolarHBondContact O-N 2.9Å; M582-Y664 HydrophobicContact CB-CD1 4.17Å; M582-Y664 HydrophobicContact CB-CD2 4.5Å; M582-Y664 HydrophobicContact CB-CG 3.83Å; M582-Y664 HydrophobicContact CG-CG 4.43Å
583	P	95.1	Very high	87.4	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.			trans	-70.8	115.5	174.2	27.9	-31.2	0	0	0	109.8	C500 M504 V508 Y510 T628 I629	C500-P583 WeakPolarHBondContact O-CA 3.49Å; M504-P583 HydrophobicContact CB-CB 3.89Å; M504-P583 HydrophobicContact CB-CG 3.92Å; V508-P583 HydrophobicContact CB-CG 4.49Å; Y510-P583 HydrophobicContact CE2-CG 4.39Å; Y510-P583 WeakPolarHBondContact CE2-O 3.27Å; Y510-P583 PolarHBondContact OH-O 2.98Å; P583-T628 WeakPolarHBondContact CG-O 3.19Å; P583-I629 HydrophobicContact CB-CG1 4.29Å
584	C	94.8	Very high	86	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.5	175.5	64.1	0	0	0	0	113.2	C500 M582 R630 F632	C500-C584 PolarHBondContact N-O 3.41Å; C500-C584 PolarHBondContact O-N 3.48Å; M582-C584 PolarHBondContact O-N 2.9Å; C584-R630 CarbonylContact C-O 3.52Å; C584-R630 WeakPolarHBondContact CA-O 3.45Å; C584-R630 VanDerWaalsContact CB-O 3.27Å; C584-R630 WeakPolarHBondContact CB-O 3.41Å; C584-F632 HydrophobicContact CB-CD2 3.81Å; C584-F632 HydrophobicContact CB-CE2 3.71Å
585	V	96.7	Very high	85.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121	166.6	-178.3	0	0	0	0	108.1	L498 V499 L587 L600 I603 I629 R630 G631 F632	L498-V585 CarbonylContact O-C 3.58Å; L498-V585 WeakPolarHBondContact O-CA 3.4Å; V499-V585 HydrophobicContact CG1-CG2 4.41Å; V499-V585 HydrophobicContact CG2-CG2 4.38Å; V585-L587 HydrophobicContact CG1-CD2 3.97Å; V585-L587 HydrophobicContact CG1-CG 4.4Å; V585-L600 HydrophobicContact CB-CD1 3.61Å; V585-L600 HydrophobicContact CG1-CD1 3.86Å; V585-L600 HydrophobicContact CG2-CD1 3.98Å; V585-I603 HydrophobicContact CG1-CD1 4.13Å; V585-I603 HydrophobicContact CG1-CG2 4.3Å; V585-I603 HydrophobicContact CG2-CG2 4.22Å; V585-I629 HydrophobicContact CG2-CD1 4.13Å; V585-I629 HydrophobicContact CG2-CG1 4.2Å; V585-R630 PolarHBondContact N-O 2.8Å; V585-G631 CarbonylContact O-C 3.59Å; V585-G631 VanDerWaalsContact O-CA 3.29Å; V585-G631 WeakPolarHBondContact O-CA 3.33Å; V585-F632 PolarHBondContact O-N 3.25Å
586	L	95	Very high	85.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.7	176.2	-54.2	-177	0	0	0	109.4	L498 F588 F632 P634 F669	L498-L586 HydrophobicContact CB-CB 4.35Å; L498-L586 HydrophobicContact CD2-CD1 4.49Å; L498-L586 PolarHBondContact N-O 2.97Å; L498-L586 PolarHBondContact O-N 2.97Å; L586-F588 HydrophobicContact CB-CD2 4.16Å; L586-F588 HydrophobicContact CB-CE2 3.48Å; L586-F588 VanDerWaalsContact CB-CE2 3.48Å; L586-F588 HydrophobicContact CB-CZ 4.04Å; L586-F588 HydrophobicContact CD1-CE2 4.16Å; L586-F588 HydrophobicContact CD1-CZ 3.96Å; L586-F588 HydrophobicContact CG-CE2 4.47Å; L586-F632 CarbonylContact C-O 3.45Å; L586-F632 WeakPolarHBondContact CA-O 3.27Å; L586-F632 HydrophobicContact CD2-CB 3.85Å; L586-F632 HydrophobicContact CD2-CD2 4.13Å; L586-F632 HydrophobicContact CD2-CG 4.36Å; L586-P634 HydrophobicContact CB-CG 4.21Å; L586-P634 HydrophobicContact CD2-CG 4.1Å; L586-F669 HydrophobicContact CD1-CE1 4.2Å; L586-F669 HydrophobicContact CD1-CZ 4.35Å; L586-F669 HydrophobicContact CD2-CE1 4.15Å; L586-F669 HydrophobicContact CD2-CE2 3.89Å; L586-F669 HydrophobicContact CD2-CZ 3.66Å
587	L	95.2	Very high	85.1	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	101.3	177.7	-58.6	-179.2	0	0	0	109.1	L328 L496 V585 R596 L600 I603 F632 S633 P634	L328-L587 HydrophobicContact CD1-CD1 3.82Å; L328-L587 HydrophobicContact CD1-CG 4.39Å; L328-L587 HydrophobicContact CD2-CD1 4.16Å; L496-L587 CarbonylContact O-C 3.52Å; L496-L587 WeakPolarHBondContact O-CA 3.31Å; V585-L587 HydrophobicContact CG1-CD2 3.97Å; V585-L587 HydrophobicContact CG1-CG 4.4Å; L587-R596 HydrophobicContact CB-CB 4.42Å; L587-R596 HydrophobicContact CD1-CB 3.52Å; L587-R596 WeakPolarHBondContact CD1-O 3.41Å; L587-L600 HydrophobicContact CD1-CB 4.09Å; L587-I603 HydrophobicContact CD2-CD1 4.06Å; L587-F632 PolarHBondContact N-O 2.87Å; L587-S633 WeakPolarHBondContact O-CA 3.28Å; L587-S633 PolarHBondContact O-OG 3.35Å; L587-P634 WeakPolarHBondContact O-CD 3.49Å
588	F	94.7	Very high	85.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.9	-179.5	-57.7	-106.4	0	0	0	109.8	F495 L496 L498 L586 V636 Y652 F656 M673 W676	F495-F588 WeakPolarHBondContact CB-O 3.46Å; L496-F588 HydrophobicContact CB-CB 4.12Å; L496-F588 HydrophobicContact CB-CD2 4.31Å; L496-F588 HydrophobicContact CD2-CD2 3.79Å; L496-F588 HydrophobicContact CD2-CE2 4.21Å; L496-F588 HydrophobicContact CD2-CG 4.28Å; L496-F588 HydrophobicContact CG-CD2 4.06Å; L496-F588 PolarHBondContact N-O 3.26Å; L496-F588 PolarHBondContact O-N 3.11Å; L498-F588 HydrophobicContact CB-CD2 4.46Å; L498-F588 HydrophobicContact CB-CE2 3.89Å; L498-F588 HydrophobicContact CD2-CE2 3.91Å; L498-F588 HydrophobicContact CD2-CZ 4.29Å; L586-F588 HydrophobicContact CB-CD2 4.16Å; L586-F588 HydrophobicContact CB-CE2 3.48Å; L586-F588 VanDerWaalsContact CB-CE2 3.48Å; L586-F588 HydrophobicContact CB-CZ 4.04Å; L586-F588 HydrophobicContact CD1-CE2 4.16Å; L586-F588 HydrophobicContact CD1-CZ 3.96Å; L586-F588 HydrophobicContact CG-CE2 4.47Å; F588-V636 HydrophobicContact CD1-CG1 3.52Å; F588-V636 HydrophobicContact CE1-CG1 3.92Å; F588-Y652 HydrophobicContact CB-CD2 3.56Å; F588-Y652 HydrophobicContact CB-CE2 3.89Å; F588-Y652 HydrophobicContact CB-CG 4.15Å; F588-Y652 HydrophobicContact CD1-CD1 4.45Å; F588-Y652 HydrophobicContact CD1-CD2 4.37Å; F588-Y652 HydrophobicContact CD1-CG 4.14Å; F588-Y652 HydrophobicContact CG-CD2 4.31Å; F588-Y652 HydrophobicContact CG-CG 4.44Å; F588-F656 HydrophobicContact CZ-CD2 4.48Å; F588-M673 HydrophobicContact CD1-CE 4.18Å; F588-M673 HydrophobicContact CE1-CE 3.12Å; F588-M673 HydrophobicContact CZ-CE 3.53Å; F588-W676 HydrophobicContact CD1-CZ3 4.08Å; F588-W676 AromaticContact CE1-CH2 3.46Å; F588-W676 HydrophobicContact CE1-CH2 3.46Å; F588-W676 VanDerWaalsContact CE1-CH2 3.46Å; F588-W676 AromaticContact CE1-CZ3 3.41Å; F588-W676 HydrophobicContact CE1-CZ3 3.41Å; F588-W676 VanDerWaalsContact CE1-CZ3 3.41Å; F588-W676 AromaticContact CZ-CH2 3.95Å; F588-W676 HydrophobicContact CZ-CH2 3.95Å; F588-W676 HydrophobicContact CZ-CZ3 4.27Å
589	D	88.2	Confident	85.6	Confident	5 Å²	5	18.3 Å²	18.3	3%	0.027	11%	0.113	C	C	.	.			trans	-125.1	116.8	-179.5	-166.9	-18.7	0	0	0	109.5	H493 F495 L591 P592 R596	H493-D589 IonicContact CD2-OD1 2.7Å; H493-D589 IonicContact CE1-OD1 3.24Å; H493-D589 PolarHBondContact CE1-OD1 3.07Å; H493-D589 IonicContact NE2-OD1 2.91Å; H493-D589 PolarHBondContact NE2-OD1 2.88Å; H493-D589 IonicContact NE2-OD2 3.71Å; F495-D589 HydrophobicContact CB-CB 4.33Å; D589-L591 PolarHBondContact O-N 3.22Å; D589-L591 PolarHBondContact OD1-N 2.97Å; D589-P592 HydrophobicContact CB-CB 4.4Å; D589-R596 IonicContact OD2-CZ 2.74Å; D589-R596 VanDerWaalsContact OD2-CZ 3.22Å; D589-R596 IonicContact OD2-NE 3.3Å; D589-R596 PolarHBondContact OD2-NE 3.42Å; D589-R596 IonicContact OD2-NH2 2.93Å; D589-R596 PolarHBondContact OD2-NH2 2.77Å
590	S	86.4	Confident	86.1	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.007	10%	0.101	C	C	.	.	S	Bend	trans	-73.9	-16.5	178	53.3	0	0	0	0	112.5	V638 Q639 Y652	S590-V638 CarbonylContact O-C 3.57Å; S590-V638 VanDerWaalsContact O-CA 3.31Å; S590-V638 WeakPolarHBondContact O-CA 3.45Å; S590-V638 VanDerWaalsContact O-CB 3.28Å; S590-V638 WeakPolarHBondContact O-CB 3.49Å; S590-Q639 WeakPolarHBondContact O-CG 3.43Å; S590-Q639 PolarHBondContact O-N 2.81Å; S590-Q639 PolarHBondContact OG-OE1 3.19Å; S590-Y652 VanDerWaalsContact CA-OH 3.29Å; S590-Y652 WeakPolarHBondContact CA-OH 3.47Å; S590-Y652 VanDerWaalsContact CB-OH 3.29Å; S590-Y652 WeakPolarHBondContact CB-OH 3.36Å
591	L	77.1	Confident	86.7	Confident	34 Å²	34	15.6 Å²	15.6	18%	0.178	10%	0.096	C	C	.	.	S	Bend	trans	-137.9	72.5	178.3	-166.7	72	0	0	0	109.4	T289 D589 C593 Q639 L642	T289-L591 HydrophobicContact CG2-CD2 4.42Å; D589-L591 PolarHBondContact O-N 3.22Å; D589-L591 PolarHBondContact OD1-N 2.97Å; L591-C593 PolarHBondContact O-N 3.43Å; L591-C593 PolarHBondContact O-SG 2.88Å; L591-Q639 HydrophobicContact CB-CG 4.09Å; L591-Q639 HydrophobicContact CD1-CG 4.22Å; L591-L642 HydrophobicContact CD1-CD2 4.24Å; L591-L642 HydrophobicContact CD2-CD2 3.56Å
592	P	68.6	Low	87	Confident	80 Å²	80	15.8 Å²	15.8	52%	0.519	10%	0.098	S	C	.	.			trans	-72.6	74.8	-175	31.5	-36	0	0	0	110.8	D589	D589-P592 HydrophobicContact CB-CB 4.4Å
593	C	61.7	Low	87.3	Confident	15 Å²	15	15.6 Å²	15.6	10%	0.101	10%	0.097	C	C	.	.			trans	-104.3	-6	179.8	60	0	0	0	0	112.8	T289 S293 L591	T289-C593 VanDerWaalsContact CG2-SG 3.58Å; S293-C593 PolarHBondContact OG-O 3.25Å; L591-C593 PolarHBondContact O-N 3.43Å; L591-C593 PolarHBondContact O-SG 2.88Å
594	Q	61.4	Low	87.4	Confident	40 Å²	40	16 Å²	16	19%	0.187	10%	0.098	C	C	.	.	S	Bend	trans	-135	146.3	179.2	-64.7	177.7	39	0	0	109.3	T289 H292	T289-Q594 PolarHBondContact O-NE2 2.87Å; H292-Q594 HydrophobicContact CB-CG 4.28Å
595	S	76.2	Confident	87.5	Confident	78 Å²	78	17.6 Å²	17.6	55%	0.545	11%	0.107	S	C	.	.			trans	-66.2	135.8	172.5	178.2	0	0	0	0	110.1	V597	S595-V597 VanDerWaalsContact OG-CG2 3.27Å; S595-V597 WeakPolarHBondContact OG-CG2 3.48Å; S595-V597 PolarHBondContact OG-N 3.49Å
596	R	86	Confident	87.6	Confident	6 Å²	6	17.8 Å²	17.8	2%	0.023	11%	0.108	C	C	.	.			trans	-100.3	12.3	176.1	-55	-61.4	179.5	-163.8	-8.5	113.6	L328 E490 H493 L587 D589 G598 N599 L600	L328-R596 HydrophobicContact CD2-CB 3.88Å; E490-R596 IonicContact OE2-NH1 2.73Å; E490-R596 PolarHBondContact OE2-NH1 3.15Å; H493-R596 PolarHBondContact CD2-NH2 2.87Å; L587-R596 HydrophobicContact CB-CB 4.42Å; L587-R596 HydrophobicContact CD1-CB 3.52Å; L587-R596 WeakPolarHBondContact CD1-O 3.41Å; D589-R596 IonicContact OD2-CZ 2.74Å; D589-R596 VanDerWaalsContact OD2-CZ 3.22Å; D589-R596 IonicContact OD2-NE 3.3Å; D589-R596 PolarHBondContact OD2-NE 3.42Å; D589-R596 IonicContact OD2-NH2 2.93Å; D589-R596 PolarHBondContact OD2-NH2 2.77Å; R596-G598 VanDerWaalsContact C-N 3.3Å; R596-G598 PolarHBondContact O-N 3.4Å; R596-N599 WeakPolarHBondContact CA-OD1 3.48Å; R596-N599 VanDerWaalsContact CD-OD1 3.26Å; R596-N599 WeakPolarHBondContact CD-OD1 3.22Å; R596-N599 WeakPolarHBondContact O-CB 3.46Å; R596-N599 PolarHBondContact O-N 2.8Å; R596-N599 VanDerWaalsContact O-N 3.17Å; R596-L600 PolarHBondContact O-N 3.13Å
597	V	87.9	Confident	87.8	Confident	9 Å²	9	17.9 Å²	17.9	6%	0.055	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-42	178.8	172.9	0	0	0	0	111.2	E324 D327 L328 S595 N599 L600 H601	E324-V597 HydrophobicContact CG-CG1 4.26Å; E324-V597 WeakPolarHBondContact O-CG2 3.36Å; D327-V597 HydrophobicContact CB-CG1 4.47Å; L328-V597 HydrophobicContact CB-CG2 3.57Å; L328-V597 HydrophobicContact CD2-CG2 4.13Å; S595-V597 VanDerWaalsContact OG-CG2 3.27Å; S595-V597 WeakPolarHBondContact OG-CG2 3.48Å; S595-V597 PolarHBondContact OG-N 3.49Å; V597-N599 VanDerWaalsContact C-N 3.32Å; V597-N599 PolarHBondContact O-N 3.03Å; V597-L600 WeakPolarHBondContact O-CB 3.44Å; V597-L600 PolarHBondContact O-N 2.91Å; V597-H601 WeakPolarHBondContact CG1-CE1 3.17Å; V597-H601 PolarHBondContact O-N 3.01Å
598	G	89.2	Confident	87.9	Confident	18 Å²	18	19.9 Å²	19.9	19%	0.186	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-42.6	176.1	0	0	0	0	0	112.7	R596 L600 H601 V602	R596-G598 VanDerWaalsContact C-N 3.3Å; R596-G598 PolarHBondContact O-N 3.4Å; G598-L600 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 2.78Å; G598-H601 PolarHBondContact O-N 2.92Å; G598-V602 WeakPolarHBondContact O-CG2 3.24Å; G598-V602 PolarHBondContact O-N 3.45Å
599	N	93.1	Very high	88.1	Confident	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-63.2	-41.7	176.3	-50	98.1	0	0	0	112	Y429 E490 F495 R596 V597 H601 V602 I603	Y429-N599 WeakPolarHBondContact OH-CA 3.45Å; Y429-N599 PolarHBondContact OH-ND2 3.4Å; E490-N599 PolarHBondContact OE1-ND2 3.22Å; E490-N599 PolarHBondContact OE2-ND2 3.04Å; F495-N599 HydrophobicContact CE2-CB 4.31Å; F495-N599 WeakPolarHBondContact CZ-ND2 3.4Å; R596-N599 WeakPolarHBondContact CA-OD1 3.48Å; R596-N599 VanDerWaalsContact CD-OD1 3.26Å; R596-N599 WeakPolarHBondContact CD-OD1 3.22Å; R596-N599 WeakPolarHBondContact O-CB 3.46Å; R596-N599 PolarHBondContact O-N 2.8Å; R596-N599 VanDerWaalsContact O-N 3.17Å; V597-N599 VanDerWaalsContact C-N 3.32Å; V597-N599 PolarHBondContact O-N 3.03Å; N599-H601 VanDerWaalsContact C-N 3.33Å; N599-H601 PolarHBondContact O-N 2.81Å; N599-V602 PolarHBondContact O-N 2.9Å; N599-I603 VanDerWaalsContact O-CG1 3.3Å; N599-I603 WeakPolarHBondContact O-CG1 3.46Å; N599-I603 PolarHBondContact O-N 3.2Å
600	L	95.9	Very high	88.5	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-45.1	174.5	177.5	62.4	0	0	0	111.6	D327 L328 V585 L587 R596 V597 G598 I603 R604	D327-L600 WeakPolarHBondContact O-CD2 3.4Å; L328-L600 HydrophobicContact CB-CD2 3.94Å; L328-L600 HydrophobicContact CD1-CD2 4.06Å; V585-L600 HydrophobicContact CB-CD1 3.61Å; V585-L600 HydrophobicContact CG1-CD1 3.86Å; V585-L600 HydrophobicContact CG2-CD1 3.98Å; L587-L600 HydrophobicContact CD1-CB 4.09Å; R596-L600 PolarHBondContact O-N 3.13Å; V597-L600 WeakPolarHBondContact O-CB 3.44Å; V597-L600 PolarHBondContact O-N 2.91Å; G598-L600 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 2.78Å; L600-I603 PolarHBondContact O-N 3.01Å; L600-R604 HydrophobicContact CD1-CG 4.42Å; L600-R604 VanDerWaalsContact CD2-NH1 3.28Å; L600-R604 WeakPolarHBondContact O-CG 3.46Å; L600-R604 PolarHBondContact O-N 3.11Å
601	H	95.4	Very high	89.1	Confident	33 Å²	33	20.2 Å²	20.2	15%	0.153	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.8	-66.9	149.2	0	0	0	111.9	D327 V597 G598 N599 I603 R604 N605	D327-H601 IonicContact OD2-CD2 3.31Å; D327-H601 IonicContact OD2-CE1 3.5Å; D327-H601 IonicContact OD2-NE2 3.26Å; D327-H601 PolarHBondContact OD2-NE2 2.88Å; V597-H601 WeakPolarHBondContact CG1-CE1 3.17Å; V597-H601 PolarHBondContact O-N 3.01Å; G598-H601 PolarHBondContact O-N 2.92Å; N599-H601 VanDerWaalsContact C-N 3.33Å; N599-H601 PolarHBondContact O-N 2.81Å; H601-I603 VanDerWaalsContact C-N 3.32Å; H601-I603 PolarHBondContact O-N 3.07Å; H601-R604 PolarHBondContact O-N 3.17Å; H601-N605 VanDerWaalsContact O-CB 3.3Å; H601-N605 WeakPolarHBondContact O-CB 3.42Å; H601-N605 PolarHBondContact O-N 3.43Å; H601-N605 PolarHBondContact O-ND2 3.15Å
602	V	96.3	Very high	90	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.024	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-44.4	175.7	172	0	0	0	0	111.3	Y429 L432 G598 N599 Y606	Y429-V602 HydrophobicContact CD2-CG1 4.48Å; Y429-V602 HydrophobicContact CE2-CB 4.15Å; Y429-V602 HydrophobicContact CE2-CG1 3.75Å; L432-V602 HydrophobicContact CD2-CG1 3.61Å; L432-V602 HydrophobicContact CG-CG1 3.95Å; G598-V602 WeakPolarHBondContact O-CG2 3.24Å; G598-V602 PolarHBondContact O-N 3.45Å; N599-V602 PolarHBondContact O-N 2.9Å; V602-Y606 WeakPolarHBondContact O-CB 3.42Å; V602-Y606 PolarHBondContact O-N 3.36Å
603	I	98.3	Very high	91.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-47.2	177.8	-67.7	166.4	0	0	0	111	Y429 I486 I488 V499 V585 L587 N599 L600 H601 N605 Y606 L607	Y429-I603 HydrophobicContact CE2-CG1 4.33Å; I486-I603 HydrophobicContact CD1-CD1 4.3Å; I486-I603 HydrophobicContact CD1-CG1 4.13Å; I486-I603 HydrophobicContact CD1-CG2 4.24Å; I488-I603 HydrophobicContact CD1-CD1 4.23Å; V499-I603 HydrophobicContact CG2-CG2 3.79Å; V585-I603 HydrophobicContact CG1-CD1 4.13Å; V585-I603 HydrophobicContact CG1-CG2 4.3Å; V585-I603 HydrophobicContact CG2-CG2 4.22Å; L587-I603 HydrophobicContact CD2-CD1 4.06Å; N599-I603 VanDerWaalsContact O-CG1 3.3Å; N599-I603 WeakPolarHBondContact O-CG1 3.46Å; N599-I603 PolarHBondContact O-N 3.2Å; L600-I603 PolarHBondContact O-N 3.01Å; H601-I603 VanDerWaalsContact C-N 3.32Å; H601-I603 PolarHBondContact O-N 3.07Å; I603-N605 PolarHBondContact O-N 3.21Å; I603-Y606 WeakPolarHBondContact O-CB 3.47Å; I603-Y606 PolarHBondContact O-N 2.92Å; I603-L607 HydrophobicContact CG2-CD1 4.31Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 3.44Å
604	R	97.9	Very high	92.9	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-44.3	177.8	-78.6	-177	179	137.2	1.4	112.3	L600 H601 Y606 L607 Q608 I629	L600-R604 HydrophobicContact CD1-CG 4.42Å; L600-R604 VanDerWaalsContact CD2-NH1 3.28Å; L600-R604 WeakPolarHBondContact O-CG 3.46Å; L600-R604 PolarHBondContact O-N 3.11Å; H601-R604 PolarHBondContact O-N 3.17Å; R604-Y606 VanDerWaalsContact C-N 3.29Å; R604-Y606 PolarHBondContact O-N 3.34Å; R604-L607 PolarHBondContact O-N 3.13Å; R604-Q608 WeakPolarHBondContact O-CB 3.33Å; R604-Q608 PolarHBondContact O-N 3.41Å; R604-I629 HydrophobicContact CG-CG2 4.27Å; R604-I629 PolarHBondContact NE-O 2.78Å; R604-I629 PolarHBondContact NH2-O 3.27Å
605	N	97.4	Very high	94.5	Very high	34 Å²	34	25 Å²	25	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-39.8	177.3	-71.7	-9.6	0	0	0	111.3	I462 H601 I603 Q608 A609	I462-N605 HydrophobicContact CD1-CB 4.16Å; I462-N605 HydrophobicContact CG1-CB 4.09Å; I462-N605 HydrophobicContact CG2-CB 3.98Å; H601-N605 VanDerWaalsContact O-CB 3.3Å; H601-N605 WeakPolarHBondContact O-CB 3.42Å; H601-N605 PolarHBondContact O-N 3.43Å; H601-N605 PolarHBondContact O-ND2 3.15Å; I603-N605 PolarHBondContact O-N 3.21Å; N605-Q608 PolarHBondContact O-N 2.96Å; N605-A609 WeakPolarHBondContact O-CB 3.47Å; N605-A609 PolarHBondContact O-N 2.66Å
606	Y	98.3	Very high	95.5	Very high	5 Å²	5	23 Å²	23	2%	0.02	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-47.3	172.8	172	-105.1	0	0	0	112.4	F424 F428 L432 H466 V469 T473 L478 V602 I603 R604 Q608 A609 E610	F424-Y606 HydrophobicContact CE2-CE1 4.33Å; F424-Y606 HydrophobicContact CZ-CE1 4.05Å; F428-Y606 HydrophobicContact CE1-CE1 4.5Å; F428-Y606 HydrophobicContact CE2-CD2 4.42Å; F428-Y606 HydrophobicContact CE2-CE1 4.26Å; F428-Y606 AromaticContact CE2-CE2 3.95Å; F428-Y606 HydrophobicContact CE2-CE2 3.95Å; F428-Y606 AromaticContact CE2-CZ 3.87Å; F428-Y606 AromaticContact CZ-CD1 3.77Å; F428-Y606 HydrophobicContact CZ-CD1 3.77Å; F428-Y606 AromaticContact CZ-CD2 4Å; F428-Y606 HydrophobicContact CZ-CD2 4Å; F428-Y606 AromaticContact CZ-CE1 3.58Å; F428-Y606 HydrophobicContact CZ-CE1 3.58Å; F428-Y606 AromaticContact CZ-CE2 3.86Å; F428-Y606 HydrophobicContact CZ-CE2 3.86Å; F428-Y606 AromaticContact CZ-CG 3.97Å; F428-Y606 HydrophobicContact CZ-CG 3.97Å; F428-Y606 AromaticContact CZ-CZ 3.65Å; L432-Y606 HydrophobicContact CD1-CD2 3.9Å; L432-Y606 HydrophobicContact CD1-CG 4.37Å; L432-Y606 HydrophobicContact CD2-CD2 4.26Å; L432-Y606 HydrophobicContact CD2-CG 4.01Å; H466-Y606 AromaticContact CD2-CD2 3.85Å; H466-Y606 AromaticContact CD2-CE2 3.79Å; V469-Y606 HydrophobicContact CG2-CD2 4.08Å; V469-Y606 HydrophobicContact CG2-CE2 3.83Å; T473-Y606 VanDerWaalsContact CG2-OH 3.26Å; T473-Y606 WeakPolarHBondContact CG2-OH 3.48Å; L478-Y606 HydrophobicContact CD1-CE1 3.68Å; L478-Y606 WeakPolarHBondContact CD1-OH 3.42Å; V602-Y606 WeakPolarHBondContact O-CB 3.42Å; V602-Y606 PolarHBondContact O-N 3.36Å; I603-Y606 WeakPolarHBondContact O-CB 3.47Å; I603-Y606 PolarHBondContact O-N 2.92Å; R604-Y606 VanDerWaalsContact C-N 3.29Å; R604-Y606 PolarHBondContact O-N 3.34Å; Y606-Q608 VanDerWaalsContact C-N 3.3Å; Y606-Q608 PolarHBondContact O-N 3.01Å; Y606-A609 PolarHBondContact O-N 2.82Å; Y606-E610 HydrophobicContact CE2-CB 4.47Å; Y606-E610 WeakPolarHBondContact O-CB 3.5Å; Y606-E610 PolarHBondContact O-N 3.31Å; Y606-E610 PolarHBondContact OH-OE2 3.02Å
607	L	98.6	Very high	95.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-42.4	176.6	-66.1	173.8	0	0	0	111.3	F479 I484 V499 I603 R604 E610 W611 F624 I629	F479-L607 HydrophobicContact CE1-CD2 4.37Å; F479-L607 WeakPolarHBondContact CZ-O 3.18Å; I484-L607 HydrophobicContact CD1-CD2 4.24Å; V499-L607 HydrophobicContact CG1-CD1 3.88Å; V499-L607 HydrophobicContact CG2-CD1 4.43Å; I603-L607 HydrophobicContact CG2-CD1 4.31Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 3.44Å; R604-L607 PolarHBondContact O-N 3.13Å; L607-E610 PolarHBondContact O-N 3.3Å; L607-W611 WeakPolarHBondContact O-CB 3.5Å; L607-W611 PolarHBondContact O-N 3.13Å; L607-F624 HydrophobicContact CB-CB 4.16Å; L607-F624 HydrophobicContact CB-CD1 3.77Å; L607-F624 HydrophobicContact CB-CD2 4.35Å; L607-F624 HydrophobicContact CB-CE1 4.27Å; L607-F624 HydrophobicContact CB-CG 3.82Å; L607-F624 HydrophobicContact CD1-CD1 4.06Å; L607-I629 HydrophobicContact CD1-CD1 3.98Å
608	Q	98.1	Very high	96.1	Very high	43 Å²	43	32 Å²	32	20%	0.201	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-48.5	176.6	-173	63.2	71.1	0	0	111.8	R604 N605 Y606 W611 N612 L622 F624	R604-Q608 WeakPolarHBondContact O-CB 3.33Å; R604-Q608 PolarHBondContact O-N 3.41Å; N605-Q608 PolarHBondContact O-N 2.96Å; Y606-Q608 VanDerWaalsContact C-N 3.3Å; Y606-Q608 PolarHBondContact O-N 3.01Å; Q608-W611 PolarHBondContact O-N 3.11Å; Q608-N612 PolarHBondContact NE2-OD1 3Å; Q608-N612 WeakPolarHBondContact O-CB 3.08Å; Q608-N612 PolarHBondContact O-N 3.22Å; Q608-N612 PolarHBondContact O-ND2 3.47Å; Q608-N612 PolarHBondContact O-OD1 3.16Å; Q608-L622 PolarHBondContact NE2-O 3.36Å; Q608-F624 HydrophobicContact CB-CB 4.46Å
609	A	97.6	Very high	96.5	Very high	10 Å²	10	31.5 Å²	31.5	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-39.2	179.7	0	0	0	0	0	112.5	I462 H466 N605 Y606 N612 T613	I462-A609 HydrophobicContact CG2-CB 3.96Å; H466-A609 HydrophobicContact CB-CB 3.65Å; N605-A609 WeakPolarHBondContact O-CB 3.47Å; N605-A609 PolarHBondContact O-N 2.66Å; Y606-A609 PolarHBondContact O-N 2.82Å; A609-N612 PolarHBondContact O-N 2.73Å; A609-T613 VanDerWaalsContact O-CB 3.27Å; A609-T613 WeakPolarHBondContact O-CB 3.5Å; A609-T613 PolarHBondContact O-N 3.02Å; A609-T613 PolarHBondContact O-OG1 3.26Å
610	E	98	Very high	96.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-44.2	175.6	-170.2	71.3	-158.4	0	0	110.6	H466 T473 L478 F479 Y606 L607 T613 R614	H466-E610 IonicContact CD2-OE2 2.77Å; H466-E610 IonicContact CE1-OE2 3.68Å; H466-E610 IonicContact NE2-OE2 3.27Å; H466-E610 PolarHBondContact NE2-OE2 3.22Å; T473-E610 WeakPolarHBondContact CB-OE1 3.43Å; T473-E610 PolarHBondContact OG1-OE1 2.97Å; T473-E610 PolarHBondContact OG1-OE2 3.1Å; L478-E610 HydrophobicContact CD1-CG 4.35Å; F479-E610 HydrophobicContact CE2-CB 4.19Å; F479-E610 HydrophobicContact CE2-CG 3.89Å; F479-E610 HydrophobicContact CZ-CB 4.04Å; F479-E610 HydrophobicContact CZ-CG 4.19Å; Y606-E610 HydrophobicContact CE2-CB 4.47Å; Y606-E610 WeakPolarHBondContact O-CB 3.5Å; Y606-E610 PolarHBondContact O-N 3.31Å; Y606-E610 PolarHBondContact OH-OE2 3.02Å; L607-E610 PolarHBondContact O-N 3.3Å; E610-T613 PolarHBondContact O-N 2.86Å; E610-R614 HydrophobicContact CG-CG 4.11Å; E610-R614 VanDerWaalsContact O-CB 3.28Å; E610-R614 WeakPolarHBondContact O-CB 3.47Å; E610-R614 VanDerWaalsContact O-CG 3.23Å; E610-R614 WeakPolarHBondContact O-CG 3.48Å; E610-R614 PolarHBondContact O-N 3.09Å; E610-R614 WeakPolarHBondContact OE1-CG 3.37Å; E610-R614 IonicContact OE1-NE 3.84Å; E610-R614 PolarHBondContact OE1-NE 3.08Å
611	W	98	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-49	175.9	179.3	-92.5	0	0	0	111.4	F479 F563 L607 Q608 T613 R614 R615 S616 D619 G620 L622 F624	F479-W611 HydrophobicContact CB-CE3 4.2Å; F479-W611 HydrophobicContact CB-CZ3 3.96Å; F479-W611 AromaticContact CD1-CE3 3.83Å; F479-W611 HydrophobicContact CD1-CE3 3.83Å; F479-W611 HydrophobicContact CD1-CZ3 4.35Å; F479-W611 AromaticContact CD2-CE3 3.67Å; F479-W611 HydrophobicContact CD2-CE3 3.67Å; F479-W611 HydrophobicContact CD2-CZ3 4.18Å; F479-W611 HydrophobicContact CE1-CB 4.26Å; F479-W611 HydrophobicContact CE1-CE3 4.09Å; F479-W611 HydrophobicContact CE2-CB 4.01Å; F479-W611 AromaticContact CE2-CE3 3.93Å; F479-W611 HydrophobicContact CE2-CE3 3.93Å; F479-W611 AromaticContact CG-CE3 3.61Å; F479-W611 HydrophobicContact CG-CE3 3.61Å; F479-W611 AromaticContact CG-CZ3 3.9Å; F479-W611 HydrophobicContact CG-CZ3 3.9Å; F479-W611 HydrophobicContact CZ-CB 3.67Å; F479-W611 HydrophobicContact CZ-CE3 4.14Å; F563-W611 AromaticContact CD1-CH2 3.54Å; F563-W611 HydrophobicContact CD1-CH2 3.54Å; F563-W611 HydrophobicContact CD1-CZ2 4.48Å; F563-W611 HydrophobicContact CD1-CZ3 4.26Å; F563-W611 AromaticContact CE1-CH2 3.29Å; F563-W611 HydrophobicContact CE1-CH2 3.29Å; F563-W611 HydrophobicContact CE1-CZ2 4.43Å; F563-W611 AromaticContact CE1-CZ3 3.57Å; F563-W611 HydrophobicContact CE1-CZ3 3.57Å; F563-W611 HydrophobicContact CG-CH2 4.48Å; F563-W611 HydrophobicContact CZ-CH2 4.07Å; F563-W611 AromaticContact CZ-CZ3 3.95Å; F563-W611 HydrophobicContact CZ-CZ3 3.95Å; L607-W611 WeakPolarHBondContact O-CB 3.5Å; L607-W611 PolarHBondContact O-N 3.13Å; Q608-W611 PolarHBondContact O-N 3.11Å; W611-T613 VanDerWaalsContact C-N 3.28Å; W611-T613 PolarHBondContact O-N 3.06Å; W611-R614 PolarHBondContact O-N 2.91Å; W611-R615 HydrophobicContact CD2-CB 3.93Å; W611-R615 HydrophobicContact CE3-CB 3.83Å; W611-R615 HydrophobicContact CE3-CG 4.27Å; W611-R615 HydrophobicContact CH2-CB 3.87Å; W611-R615 HydrophobicContact CZ2-CB 4Å; W611-R615 HydrophobicContact CZ3-CB 3.81Å; W611-R615 HydrophobicContact CZ3-CG 4.2Å; W611-R615 PolarHBondContact O-N 2.94Å; W611-S616 PolarHBondContact O-N 3.48Å; W611-D619 HydrophobicContact CH2-CB 3.82Å; W611-D619 HydrophobicContact CZ2-CB 3.82Å; W611-G620 PolarHBondContact NE1-O 3.4Å; W611-L622 HydrophobicContact CD2-CB 3.75Å; W611-L622 HydrophobicContact CD2-CD2 4.03Å; W611-L622 HydrophobicContact CE3-CB 4.46Å; W611-L622 HydrophobicContact CE3-CD2 3.9Å; W611-L622 HydrophobicContact CG-CB 4.03Å; W611-L622 HydrophobicContact CH2-CB 4.48Å; W611-L622 HydrophobicContact CH2-CD2 4Å; W611-L622 HydrophobicContact CZ2-CB 3.74Å; W611-L622 HydrophobicContact CZ2-CD2 4.08Å; W611-L622 HydrophobicContact CZ3-CD2 3.88Å; W611-L622 VanDerWaalsContact NE1-CB 3.31Å; W611-F624 HydrophobicContact CB-CD2 4.33Å; W611-F624 HydrophobicContact CB-CE2 3.55Å; W611-F624 HydrophobicContact CB-CZ 4.32Å; W611-F624 HydrophobicContact CD2-CE2 4.21Å; W611-F624 HydrophobicContact CE3-CE2 4.44Å; W611-F624 HydrophobicContact CE3-CZ 4.33Å; W611-F624 AromaticContact CG-CE2 3.81Å; W611-F624 HydrophobicContact CG-CE2 3.81Å
612	N	96.9	Very high	96.5	Very high	79 Å²	79	37.4 Å²	37.4	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-57.5	-44.2	179.5	-70.7	-5.2	0	0	0	111.2	Q608 A609 S616	Q608-N612 PolarHBondContact NE2-OD1 3Å; Q608-N612 WeakPolarHBondContact O-CB 3.08Å; Q608-N612 PolarHBondContact O-N 3.22Å; Q608-N612 PolarHBondContact O-ND2 3.47Å; Q608-N612 PolarHBondContact O-OD1 3.16Å; A609-N612 PolarHBondContact O-N 2.73Å; N612-S616 PolarHBondContact O-OG 3.07Å
613	T	96	Very high	96.6	Very high	70 Å²	70	44.9 Å²	44.9	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-71.8	-37	-178.4	-58.9	0	0	0	0	113.3	A609 E610 W611	A609-T613 VanDerWaalsContact O-CB 3.27Å; A609-T613 WeakPolarHBondContact O-CB 3.5Å; A609-T613 PolarHBondContact O-N 3.02Å; A609-T613 PolarHBondContact O-OG1 3.26Å; E610-T613 PolarHBondContact O-N 2.86Å; W611-T613 VanDerWaalsContact C-N 3.28Å; W611-T613 PolarHBondContact O-N 3.06Å
614	R	95.6	Very high	96.6	Very high	107 Å²	107	45.2 Å²	45.2	40%	0.404	24%	0.244	S	C	.	.	H	α-helix	trans	-102	-35.2	-168.2	-59.8	-56.6	-179.2	-159.7	-3.1	114.5	A470 E610 W611	A470-R614 PolarHBondContact O-NH2 3.38Å; E610-R614 HydrophobicContact CG-CG 4.11Å; E610-R614 VanDerWaalsContact O-CB 3.28Å; E610-R614 WeakPolarHBondContact O-CB 3.47Å; E610-R614 VanDerWaalsContact O-CG 3.23Å; E610-R614 WeakPolarHBondContact O-CG 3.48Å; E610-R614 PolarHBondContact O-N 3.09Å; E610-R614 WeakPolarHBondContact OE1-CG 3.37Å; E610-R614 IonicContact OE1-NE 3.84Å; E610-R614 PolarHBondContact OE1-NE 3.08Å; W611-R614 PolarHBondContact O-N 2.91Å
615	R	95	Very high	96.5	Very high	13 Å²	13	46.9 Å²	46.9	5%	0.049	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-29.5	-162.9	-58.6	-149	66.2	-179.9	-11.8	114.1	D477 F479 F563 W611 A617 Q618 D619	D477-R615 IonicContact OD1-NH1 3.59Å; D477-R615 IonicContact OD2-CZ 2.66Å; D477-R615 IonicContact OD2-NE 2.62Å; D477-R615 IonicContact OD2-NH1 3.56Å; D477-R615 PolarHBondContact OD2-NH1 2.79Å; F479-R615 HydrophobicContact CD2-CG 4.2Å; F563-R615 VanDerWaalsContact CE2-NH1 3.32Å; W611-R615 HydrophobicContact CD2-CB 3.93Å; W611-R615 HydrophobicContact CE3-CB 3.83Å; W611-R615 HydrophobicContact CE3-CG 4.27Å; W611-R615 HydrophobicContact CH2-CB 3.87Å; W611-R615 HydrophobicContact CZ2-CB 4Å; W611-R615 HydrophobicContact CZ3-CB 3.81Å; W611-R615 HydrophobicContact CZ3-CG 4.2Å; W611-R615 PolarHBondContact O-N 2.94Å; R615-A617 VanDerWaalsContact C-N 3.3Å; R615-A617 PolarHBondContact O-N 2.85Å; R615-A617 VanDerWaalsContact O-N 3.11Å; R615-Q618 PolarHBondContact O-N 2.8Å; R615-D619 HydrophobicContact CB-CB 4.43Å; R615-D619 IonicContact CZ-OD2 2.65Å; R615-D619 IonicContact NE-OD2 3.47Å; R615-D619 PolarHBondContact NE-OD2 3.23Å; R615-D619 IonicContact NH2-OD1 3.05Å; R615-D619 PolarHBondContact NH2-OD1 3.47Å; R615-D619 IonicContact NH2-OD2 3.28Å; R615-D619 PolarHBondContact NH2-OD2 2.92Å; R615-D619 PolarHBondContact O-N 3.37Å
616	S	95.4	Very high	96.3	Very high	35 Å²	35	47.8 Å²	47.8	25%	0.245	26%	0.256	C	S	.	.	H	α-helix	trans	-54.6	-39.3	-169.6	69.6	0	0	0	0	115.4	W611 N612 Q618 G620	W611-S616 PolarHBondContact O-N 3.48Å; N612-S616 PolarHBondContact O-OG 3.07Å; S616-Q618 VanDerWaalsContact C-N 3.29Å; S616-Q618 PolarHBondContact O-N 2.94Å; S616-G620 WeakPolarHBondContact CA-O 3.36Å; S616-G620 CarbonylContact O-C 3.36Å; S616-G620 VanDerWaalsContact O-CA 3.25Å; S616-G620 WeakPolarHBondContact O-CA 3.16Å; S616-G620 PolarHBondContact O-N 3.15Å
617	A	94.3	Very high	96.2	Very high	99 Å²	99	49.6 Å²	49.6	82%	0.818	27%	0.266	S	S	*	.	H	α-helix	trans	-65.4	-30.7	178.8	0	0	0	0	0	113.2	R615	R615-A617 VanDerWaalsContact C-N 3.3Å; R615-A617 PolarHBondContact O-N 2.85Å; R615-A617 VanDerWaalsContact O-N 3.11Å
618	Q	93.4	Very high	96.1	Very high	105 Å²	105	50.2 Å²	50.2	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-98.9	-39.1	-176.6	-174.9	173.7	35	0	0	112.5	R553 G560 R615 S616	R553-Q618 VanDerWaalsContact NE-NE2 3.15Å; G560-Q618 PolarHBondContact N-O 2.87Å; R615-Q618 PolarHBondContact O-N 2.8Å; S616-Q618 VanDerWaalsContact C-N 3.29Å; S616-Q618 PolarHBondContact O-N 2.94Å
619	D	96.3	Very high	96	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-112.1	8.7	-169.6	-55.9	-59.4	0	0	0	112.9	R553 G560 F563 W611 R615	R553-D619 IonicContact CZ-OD1 2.69Å; R553-D619 IonicContact NE-OD1 3.63Å; R553-D619 IonicContact NH2-OD1 3.63Å; R553-D619 PolarHBondContact NH2-OD1 3.39Å; R553-D619 IonicContact NH2-OD2 3.38Å; R553-D619 PolarHBondContact NH2-OD2 2.99Å; G560-D619 VanDerWaalsContact CA-C 3.42Å; G560-D619 WeakPolarHBondContact CA-O 3.43Å; F563-D619 HydrophobicContact CB-CB 4.11Å; F563-D619 HydrophobicContact CD1-CB 4.45Å; F563-D619 HydrophobicContact CG-CB 4.48Å; W611-D619 HydrophobicContact CH2-CB 3.82Å; W611-D619 HydrophobicContact CZ2-CB 3.82Å; R615-D619 HydrophobicContact CB-CB 4.43Å; R615-D619 IonicContact CZ-OD2 2.65Å; R615-D619 IonicContact NE-OD2 3.47Å; R615-D619 PolarHBondContact NE-OD2 3.23Å; R615-D619 IonicContact NH2-OD1 3.05Å; R615-D619 PolarHBondContact NH2-OD1 3.47Å; R615-D619 IonicContact NH2-OD2 3.28Å; R615-D619 PolarHBondContact NH2-OD2 2.92Å; R615-D619 PolarHBondContact O-N 3.37Å
620	G	95.3	Very high	95.8	Very high	18 Å²	18	48.9 Å²	48.9	19%	0.186	26%	0.26	C	S	.	.			trans	79.7	178.1	176.5	0	0	0	0	0	114.1	W611 S616 L622	W611-G620 PolarHBondContact NE1-O 3.4Å; S616-G620 WeakPolarHBondContact CA-O 3.36Å; S616-G620 CarbonylContact O-C 3.36Å; S616-G620 VanDerWaalsContact O-CA 3.25Å; S616-G620 WeakPolarHBondContact O-CA 3.16Å; S616-G620 PolarHBondContact O-N 3.15Å; G620-L622 PolarHBondContact O-N 3.25Å
621	V	94.7	Very high	95.6	Very high	129 Å²	129	48.8 Å²	48.8	78%	0.782	26%	0.26	S	S	*	.			trans	-73.8	129.1	-178.7	-179.5	0	0	0	0	109.8
622	L	96.3	Very high	95.3	Very high	15 Å²	15	49 Å²	49	8%	0.079	26%	0.261	C	S	.	.			trans	-129.1	134.3	170.9	-166.4	59.8	0	0	0	109.1	A505 Q608 W611 G620 F624	A505-L622 HydrophobicContact CB-CD2 4.29Å; A505-L622 HydrophobicContact CB-CG 4.4Å; A505-L622 WeakPolarHBondContact O-CD1 3.18Å; Q608-L622 PolarHBondContact NE2-O 3.36Å; W611-L622 HydrophobicContact CD2-CB 3.75Å; W611-L622 HydrophobicContact CD2-CD2 4.03Å; W611-L622 HydrophobicContact CE3-CB 4.46Å; W611-L622 HydrophobicContact CE3-CD2 3.9Å; W611-L622 HydrophobicContact CG-CB 4.03Å; W611-L622 HydrophobicContact CH2-CB 4.48Å; W611-L622 HydrophobicContact CH2-CD2 4Å; W611-L622 HydrophobicContact CZ2-CB 3.74Å; W611-L622 HydrophobicContact CZ2-CD2 4.08Å; W611-L622 HydrophobicContact CZ3-CD2 3.88Å; W611-L622 VanDerWaalsContact NE1-CB 3.31Å; G620-L622 PolarHBondContact O-N 3.25Å; L622-F624 HydrophobicContact CB-CE2 4.2Å; L622-F624 HydrophobicContact CD2-CE2 3.97Å; L622-F624 HydrophobicContact CD2-CZ 3.64Å; L622-F624 HydrophobicContact CG-CE2 3.98Å; L622-F624 HydrophobicContact CG-CZ 4.1Å
623	R	96.8	Very high	94.9	Very high	160 Å²	160	45.8 Å²	45.8	60%	0.604	24%	0.244	S	C	*	.			trans	-102	138.9	-179.5	-67.5	-179	59.9	130.4	5.6	110.5	D625 T628	R623-D625 IonicContact CZ-OD2 3.51Å; R623-D625 IonicContact NE-OD2 2.56Å; R623-D625 PolarHBondContact NE-OD2 2.95Å; R623-D625 IonicContact NH2-OD2 2.92Å; R623-D625 PolarHBondContact NH2-OD2 2.84Å; R623-D625 VanDerWaalsContact NH2-OD2 3.12Å; R623-T628 HydrophobicContact CB-CG2 4.43Å; R623-T628 VanDerWaalsContact O-CB 3.3Å; R623-T628 WeakPolarHBondContact O-CB 3.49Å; R623-T628 PolarHBondContact O-OG1 3.33Å
624	F	97.9	Very high	94.6	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.035	23%	0.226	C	C	.	.			trans	-117.9	81.9	174.1	-65.4	-92.9	0	0	0	109.6	F479 A505 L607 Q608 W611 L622 T628 I629	F479-F624 HydrophobicContact CD1-CE1 4.23Å; F479-F624 AromaticContact CD1-CZ 3.73Å; F479-F624 HydrophobicContact CD1-CZ 3.73Å; F479-F624 AromaticContact CE1-CE1 3.81Å; F479-F624 HydrophobicContact CE1-CE1 3.81Å; F479-F624 AromaticContact CE1-CE2 3.98Å; F479-F624 HydrophobicContact CE1-CE2 3.98Å; F479-F624 AromaticContact CE1-CZ 3.3Å; F479-F624 HydrophobicContact CE1-CZ 3.3Å; F479-F624 HydrophobicContact CZ-CZ 4.22Å; A505-F624 HydrophobicContact CB-CD1 4.03Å; A505-F624 HydrophobicContact CB-CE1 3.72Å; A505-F624 HydrophobicContact CB-CZ 4.3Å; L607-F624 HydrophobicContact CB-CB 4.16Å; L607-F624 HydrophobicContact CB-CD1 3.77Å; L607-F624 HydrophobicContact CB-CD2 4.35Å; L607-F624 HydrophobicContact CB-CE1 4.27Å; L607-F624 HydrophobicContact CB-CG 3.82Å; L607-F624 HydrophobicContact CD1-CD1 4.06Å; Q608-F624 HydrophobicContact CB-CB 4.46Å; W611-F624 HydrophobicContact CB-CD2 4.33Å; W611-F624 HydrophobicContact CB-CE2 3.55Å; W611-F624 HydrophobicContact CB-CZ 4.32Å; W611-F624 HydrophobicContact CD2-CE2 4.21Å; W611-F624 HydrophobicContact CE3-CE2 4.44Å; W611-F624 HydrophobicContact CE3-CZ 4.33Å; W611-F624 AromaticContact CG-CE2 3.81Å; W611-F624 HydrophobicContact CG-CE2 3.81Å; L622-F624 HydrophobicContact CB-CE2 4.2Å; L622-F624 HydrophobicContact CD2-CE2 3.97Å; L622-F624 HydrophobicContact CD2-CZ 3.64Å; L622-F624 HydrophobicContact CG-CE2 3.98Å; L622-F624 HydrophobicContact CG-CZ 4.1Å; F624-T628 WeakPolarHBondContact CA-OG1 3.38Å; F624-I629 HydrophobicContact CB-CG2 4.08Å; F624-I629 HydrophobicContact CD1-CG2 4.12Å
625	D	96.1	Very high	94.1	Very high	42 Å²	42	41.8 Å²	41.8	23%	0.225	22%	0.223	C	C	.	.	S	Bend	trans	-128.6	-171.3	-178.7	59.6	38.5	0	0	0	111	R623 D627 T628 I629	R623-D625 IonicContact CZ-OD2 3.51Å; R623-D625 IonicContact NE-OD2 2.56Å; R623-D625 PolarHBondContact NE-OD2 2.95Å; R623-D625 IonicContact NH2-OD2 2.92Å; R623-D625 PolarHBondContact NH2-OD2 2.84Å; R623-D625 VanDerWaalsContact NH2-OD2 3.12Å; D625-D627 PolarHBondContact O-N 3.24Å; D625-D627 WeakPolarHBondContact OD1-CB 3.48Å; D625-D627 PolarHBondContact OD1-N 2.78Å; D625-T628 PolarHBondContact N-OG1 2.84Å; D625-T628 PolarHBondContact O-N 2.77Å; D625-T628 PolarHBondContact OD1-N 2.89Å; D625-I629 CarbonylContact O-C 3.51Å; D625-I629 PolarHBondContact O-N 2.71Å
626	K	93.9	Very high	93.8	Very high	54 Å²	54	41.6 Å²	41.6	24%	0.235	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.4	179.9	-173.4	-164.6	-165.9	145.5	0	113.1	D326 D327	D326-K626 WeakPolarHBondContact O-CE 3.46Å; D326-K626 PolarHBondContact O-NZ 3.18Å; D327-K626 VanDerWaalsContact OD1-CD 3.29Å; D327-K626 WeakPolarHBondContact OD1-CD 3.46Å; D327-K626 WeakPolarHBondContact OD1-CE 3.45Å; D327-K626 IonicContact OD1-NZ 3.03Å; D327-K626 PolarHBondContact OD1-NZ 3.28Å
627	D	95.4	Very high	93.4	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.23	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-36.5	-176.6	-167.6	52.8	0	0	0	112.5	S509 Y510 T511 D625	S509-D627 WeakPolarHBondContact CB-OD2 3.37Å; S509-D627 VanDerWaalsContact OG-CG 3.26Å; S509-D627 PolarHBondContact OG-OD1 3.33Å; S509-D627 PolarHBondContact OG-OD2 3.42Å; Y510-D627 WeakPolarHBondContact CD2-O 3.37Å; Y510-D627 PolarHBondContact N-O 2.75Å; Y510-D627 PolarHBondContact N-OD1 2.49Å; T511-D627 WeakPolarHBondContact CA-OD1 3.35Å; T511-D627 WeakPolarHBondContact CB-OD1 3.37Å; T511-D627 PolarHBondContact N-OD1 3.1Å; T511-D627 PolarHBondContact OG1-OD1 2.79Å; D625-D627 PolarHBondContact O-N 3.24Å; D625-D627 WeakPolarHBondContact OD1-CB 3.48Å; D625-D627 PolarHBondContact OD1-N 2.78Å
628	T	96.4	Very high	92.9	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.08	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-26.7	-174.3	63.2	0	0	0	0	113.7	A505 P583 R623 F624 D625	A505-T628 WeakPolarHBondContact CA-O 3.41Å; P583-T628 WeakPolarHBondContact CG-O 3.19Å; R623-T628 HydrophobicContact CB-CG2 4.43Å; R623-T628 VanDerWaalsContact O-CB 3.3Å; R623-T628 WeakPolarHBondContact O-CB 3.49Å; R623-T628 PolarHBondContact O-OG1 3.33Å; F624-T628 WeakPolarHBondContact CA-OG1 3.38Å; D625-T628 PolarHBondContact N-OG1 2.84Å; D625-T628 PolarHBondContact O-N 2.77Å; D625-T628 PolarHBondContact OD1-N 2.89Å
629	I	95.8	Very high	92.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-148.2	89.9	177.2	-167	170.6	0	0	0	110.9	V499 P583 V585 R604 L607 F624 D625	V499-I629 HydrophobicContact CG1-CD1 3.72Å; P583-I629 HydrophobicContact CB-CG1 4.29Å; V585-I629 HydrophobicContact CG2-CD1 4.13Å; V585-I629 HydrophobicContact CG2-CG1 4.2Å; R604-I629 HydrophobicContact CG-CG2 4.27Å; R604-I629 PolarHBondContact NE-O 2.78Å; R604-I629 PolarHBondContact NH2-O 3.27Å; L607-I629 HydrophobicContact CD1-CD1 3.98Å; F624-I629 HydrophobicContact CB-CG2 4.08Å; F624-I629 HydrophobicContact CD1-CG2 4.12Å; D625-I629 CarbonylContact O-C 3.51Å; D625-I629 PolarHBondContact O-N 2.71Å
630	R	93.6	Very high	90.9	Very high	26 Å²	26	36.2 Å²	36.2	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.8	-173.4	-164.9	157.8	-166.1	166.8	-0.7	112.5	D326 I329 Y510 C584 V585 F632	D326-R630 PolarHBondContact O-NH2 2.76Å; D326-R630 VanDerWaalsContact O-NH2 3.1Å; I329-R630 HydrophobicContact CD1-CG 4.36Å; Y510-R630 HydrophobicContact CD1-CB 3.93Å; Y510-R630 HydrophobicContact CD2-CB 3.54Å; Y510-R630 HydrophobicContact CE1-CB 3.9Å; Y510-R630 HydrophobicContact CE2-CB 3.54Å; Y510-R630 HydrophobicContact CG-CB 3.72Å; Y510-R630 HydrophobicContact CG-CG 4.49Å; C584-R630 CarbonylContact C-O 3.52Å; C584-R630 WeakPolarHBondContact CA-O 3.45Å; C584-R630 VanDerWaalsContact CB-O 3.27Å; C584-R630 WeakPolarHBondContact CB-O 3.41Å; V585-R630 PolarHBondContact N-O 2.8Å; R630-F632 HydrophobicContact CB-CE2 3.75Å; R630-F632 HydrophobicContact CB-CZ 3.96Å; R630-F632 HydrophobicContact CG-CE2 4.03Å; R630-F632 HydrophobicContact CG-CZ 3.93Å
631	G	94.2	Very high	89.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.7	178.3	0	0	0	0	0	110.6	I329 V585	I329-G631 PolarHBondContact N-O 3.31Å; V585-G631 CarbonylContact O-C 3.59Å; V585-G631 VanDerWaalsContact O-CA 3.29Å; V585-G631 WeakPolarHBondContact O-CA 3.33Å
632	F	91.3	Very high	88.7	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.9	176.2	-56.6	-93.7	0	0	0	109.7	I329 Y510 C584 V585 L586 L587 R630 P634 F669	I329-F632 HydrophobicContact CB-CD1 3.8Å; I329-F632 HydrophobicContact CB-CE1 4.23Å; I329-F632 HydrophobicContact CD1-CD1 3.92Å; I329-F632 HydrophobicContact CD1-CE1 3.44Å; I329-F632 VanDerWaalsContact CD1-CE1 3.44Å; I329-F632 HydrophobicContact CD1-CZ 4.22Å; I329-F632 HydrophobicContact CG1-CD1 4.42Å; I329-F632 HydrophobicContact CG1-CE1 4.39Å; I329-F632 HydrophobicContact CG2-CD1 4.21Å; I329-F632 WeakPolarHBondContact O-CA 3.42Å; Y510-F632 HydrophobicContact CE1-CE2 4.25Å; Y510-F632 AromaticContact CE1-CZ 3.87Å; Y510-F632 HydrophobicContact CE1-CZ 3.87Å; C584-F632 HydrophobicContact CB-CD2 3.81Å; C584-F632 HydrophobicContact CB-CE2 3.71Å; V585-F632 PolarHBondContact O-N 3.25Å; L586-F632 CarbonylContact C-O 3.45Å; L586-F632 WeakPolarHBondContact CA-O 3.27Å; L586-F632 HydrophobicContact CD2-CB 3.85Å; L586-F632 HydrophobicContact CD2-CD2 4.13Å; L586-F632 HydrophobicContact CD2-CG 4.36Å; L587-F632 PolarHBondContact N-O 2.87Å; R630-F632 HydrophobicContact CB-CE2 3.75Å; R630-F632 HydrophobicContact CB-CZ 3.96Å; R630-F632 HydrophobicContact CG-CE2 4.03Å; R630-F632 HydrophobicContact CG-CZ 3.93Å; F632-P634 WeakPolarHBondContact O-CD 3.18Å; F632-F669 HydrophobicContact CB-CD2 4.26Å; F632-F669 HydrophobicContact CB-CE2 4.38Å; F632-F669 HydrophobicContact CD1-CD2 4.02Å; F632-F669 HydrophobicContact CD1-CE2 4.19Å; F632-F669 AromaticContact CD2-CE2 3.98Å; F632-F669 HydrophobicContact CD2-CE2 3.98Å; F632-F669 HydrophobicContact CE1-CE2 4.49Å; F632-F669 HydrophobicContact CE2-CE2 4.3Å; F632-F669 HydrophobicContact CG-CD2 4.03Å; F632-F669 AromaticContact CG-CE2 3.92Å; F632-F669 HydrophobicContact CG-CE2 3.92Å
633	S	89.1	Confident	87.7	Confident	12 Å²	12	31.1 Å²	31.1	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	96.6	162.8	-169.1	0	0	0	0	107.1	I329 L331 L587	I329-S633 PolarHBondContact O-N 2.93Å; L331-S633 PolarHBondContact N-O 3.36Å; L587-S633 WeakPolarHBondContact O-CA 3.28Å; L587-S633 PolarHBondContact O-OG 3.35Å
634	P	89.2	Confident	87.2	Confident	7 Å²	7	24.3 Å²	24.3	5%	0.045	13%	0.126	C	C	.	.			trans	-65.5	153.6	-176.2	-20.6	33.9	0	0	0	112.2	L586 L587 F632 V636 F669 M673	L586-P634 HydrophobicContact CB-CG 4.21Å; L586-P634 HydrophobicContact CD2-CG 4.1Å; L587-P634 WeakPolarHBondContact O-CD 3.49Å; F632-P634 WeakPolarHBondContact O-CD 3.18Å; P634-V636 HydrophobicContact CB-CG1 4.13Å; P634-V636 PolarHBondContact O-N 3Å; P634-F669 HydrophobicContact CB-CB 4.26Å; P634-M673 HydrophobicContact CB-CE 3.71Å; P634-M673 HydrophobicContact CB-SD 3.66Å; P634-M673 HydrophobicContact CG-CE 3.94Å; P634-M673 HydrophobicContact CG-SD 4.15Å
635	R	85.2	Confident	86.7	Confident	87 Å²	87	24 Å²	24	33%	0.328	13%	0.125	S	C	.	.			trans	-75.1	114.7	167.3	-171.3	179.9	174.8	-161.9	5.4	108	F669 Q670 M673 A674	R635-F669 PolarHBondContact N-O 2.99Å; R635-Q670 VanDerWaalsContact CD-O 3.26Å; R635-Q670 WeakPolarHBondContact CD-O 3.03Å; R635-M673 CarbonylContact O-C 3.53Å; R635-M673 WeakPolarHBondContact O-CB 3.38Å; R635-A674 HydrophobicContact CB-CB 4.23Å; R635-A674 HydrophobicContact CG-CB 3.65Å; R635-A674 WeakPolarHBondContact O-CA 3.32Å; R635-A674 PolarHBondContact O-N 3.24Å
636	V	88.6	Confident	86.7	Confident	8 Å²	8	22 Å²	22	5%	0.048	11%	0.114	C	C	.	.			trans	-129.8	161.5	-178.2	-69.5	0	0	0	0	109.6	F588 P634 V638 Y652 M673	F588-V636 HydrophobicContact CD1-CG1 3.52Å; F588-V636 HydrophobicContact CE1-CG1 3.92Å; P634-V636 HydrophobicContact CB-CG1 4.13Å; P634-V636 PolarHBondContact O-N 3Å; V636-V638 PolarHBondContact O-N 3.37Å; V636-V638 VanDerWaalsContact O-N 3.1Å; V636-Y652 HydrophobicContact CB-CD1 4.5Å; V636-Y652 HydrophobicContact CB-CE1 3.79Å; V636-Y652 HydrophobicContact CG1-CE1 4.49Å; V636-Y652 HydrophobicContact CG2-CE1 3.94Å; V636-Y652 HydrophobicContact CG2-CE2 4.33Å; V636-Y652 WeakPolarHBondContact CG2-OH 3.36Å; V636-M673 HydrophobicContact CG1-CB 4.28Å; V636-M673 HydrophobicContact CG1-CE 4.14Å
637	P	88.1	Confident	86.7	Confident	15 Å²	15	19.4 Å²	19.4	10%	0.097	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-54.4	120.7	174.3	-27	34.6	0	0	0	110.3	Y648 Y652 M673 W676 F677	P637-Y648 HydrophobicContact CB-CE1 4.32Å; P637-Y648 WeakPolarHBondContact O-CD1 3.48Å; P637-Y648 VanDerWaalsContact O-CE1 3.28Å; P637-Y648 WeakPolarHBondContact O-CE1 3.5Å; P637-Y652 PolarHBondContact O-OH 3.43Å; P637-M673 WeakPolarHBondContact CD-O 3.44Å; P637-W676 HydrophobicContact CG-CB 4.24Å; P637-F677 HydrophobicContact CB-CD2 4.07Å; P637-F677 HydrophobicContact CB-CE1 4.34Å; P637-F677 HydrophobicContact CB-CE2 3.61Å; P637-F677 HydrophobicContact CB-CZ 3.78Å; P637-F677 HydrophobicContact CG-CD1 4.04Å; P637-F677 HydrophobicContact CG-CD2 4.11Å; P637-F677 HydrophobicContact CG-CE1 3.91Å; P637-F677 HydrophobicContact CG-CE2 3.95Å; P637-F677 HydrophobicContact CG-CG 4.15Å; P637-F677 HydrophobicContact CG-CZ 3.88Å; P637-F677 WeakPolarHBondContact CG-O 3.29Å
638	V	82.7	Confident	86.6	Confident	78 Å²	78	17.4 Å²	17.4	47%	0.473	9%	0.092	S	C	.	.	P	Polyproline II helix	trans	-91.5	152.8	-178.9	-67.1	0	0	0	0	110.9	S590 V636 Y648	S590-V638 CarbonylContact O-C 3.57Å; S590-V638 VanDerWaalsContact O-CA 3.31Å; S590-V638 WeakPolarHBondContact O-CA 3.45Å; S590-V638 VanDerWaalsContact O-CB 3.28Å; S590-V638 WeakPolarHBondContact O-CB 3.49Å; V636-V638 PolarHBondContact O-N 3.37Å; V636-V638 VanDerWaalsContact O-N 3.1Å; V638-Y648 PolarHBondContact O-OH 3.24Å
639	Q	79.3	Confident	86.7	Confident	10 Å²	10	16.8 Å²	16.8	5%	0.047	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-79.4	140.7	176.5	66	-173.7	57.2	0	0	111.7	S590 L591 N641 Y648	S590-Q639 WeakPolarHBondContact O-CG 3.43Å; S590-Q639 PolarHBondContact O-N 2.81Å; S590-Q639 PolarHBondContact OG-OE1 3.19Å; L591-Q639 HydrophobicContact CB-CG 4.09Å; L591-Q639 HydrophobicContact CD1-CG 4.22Å; Q639-N641 WeakPolarHBondContact CG-O 3.41Å; Q639-N641 PolarHBondContact NE2-O 3.07Å; Q639-Y648 HydrophobicContact CB-CD2 3.74Å; Q639-Y648 HydrophobicContact CB-CE1 4.45Å; Q639-Y648 HydrophobicContact CB-CE2 3.33Å; Q639-Y648 HydrophobicContact CB-CG 4.47Å
640	S	68.2	Low	86.8	Confident	32 Å²	32	16.8 Å²	16.8	22%	0.224	9%	0.088	C	C	.	.	S	Bend	trans	-84.7	-14.2	174	65.2	0	0	0	0	113.6	E679	S640-E679 WeakPolarHBondContact CB-OE1 3.35Å; S640-E679 PolarHBondContact OG-OE1 3.47Å
641	N	72.3	Confident	86.9	Confident	30 Å²	30	15.8 Å²	15.8	16%	0.16	9%	0.085	C	C	.	.	S	Bend	trans	-118.9	-174.7	-178.4	66	63.3	0	0	0	110.8	Q639 V643 D644	Q639-N641 WeakPolarHBondContact CG-O 3.41Å; Q639-N641 PolarHBondContact NE2-O 3.07Å; N641-V643 WeakPolarHBondContact OD1-CG2 3.4Å; N641-V643 PolarHBondContact OD1-N 3.45Å; N641-D644 PolarHBondContact ND2-OD2 3.01Å; N641-D644 WeakPolarHBondContact OD1-CB 3.43Å; N641-D644 PolarHBondContact OD1-N 3.2Å
642	L	71.8	Confident	87	Confident	19 Å²	19	15.9 Å²	15.9	10%	0.099	9%	0.085	C	C	.	.	S	Bend	trans	-114.3	15.9	-173.3	-56.1	171.8	0	0	0	113.6	I101 V286 L591	I101-L642 HydrophobicContact CB-CB 4.42Å; I101-L642 HydrophobicContact CB-CD1 3.91Å; I101-L642 HydrophobicContact CB-CG 4.37Å; I101-L642 HydrophobicContact CG2-CD1 3.44Å; I101-L642 VanDerWaalsContact CG2-CD1 3.44Å; I101-L642 HydrophobicContact CG2-CG 4.39Å; V286-L642 HydrophobicContact CB-CD1 4.36Å; V286-L642 HydrophobicContact CG1-CB 4.24Å; V286-L642 HydrophobicContact CG1-CD1 3.28Å; V286-L642 HydrophobicContact CG1-CG 4.24Å; V286-L642 HydrophobicContact CG2-CB 3.56Å; V286-L642 HydrophobicContact CG2-CD1 4.1Å; V286-L642 HydrophobicContact CG2-CG 4.42Å; L591-L642 HydrophobicContact CD1-CD2 4.24Å; L591-L642 HydrophobicContact CD2-CD2 3.56Å
643	V	76.4	Confident	87.3	Confident	6 Å²	6	16 Å²	16	4%	0.036	9%	0.086	C	C	.	.	S	Bend	trans	-133.4	-16.4	-167.6	-50.4	0	0	0	0	114.1	I101 L282 L395 N641 R686	I101-V643 HydrophobicContact CD1-CG1 4.27Å; L282-V643 HydrophobicContact CD1-CB 4.41Å; L282-V643 HydrophobicContact CD1-CG1 3.54Å; L282-V643 HydrophobicContact CD2-CG1 3.93Å; L282-V643 HydrophobicContact CG-CG1 4.06Å; L395-V643 HydrophobicContact CD2-CB 4.4Å; N641-V643 WeakPolarHBondContact OD1-CG2 3.4Å; N641-V643 PolarHBondContact OD1-N 3.45Å; V643-R686 PolarHBondContact O-NH2 3.44Å
644	D	85.1	Confident	87.6	Confident	16 Å²	16	16.3 Å²	16.3	9%	0.086	9%	0.086	C	C	.	.			trans	-89	4.3	-176.8	-75.6	-22.9	0	0	0	113.9	N641 G646 I647 Y648 V682 R686	N641-D644 PolarHBondContact ND2-OD2 3.01Å; N641-D644 WeakPolarHBondContact OD1-CB 3.43Å; N641-D644 PolarHBondContact OD1-N 3.2Å; D644-G646 PolarHBondContact O-N 3.06Å; D644-G646 VanDerWaalsContact O-N 3.1Å; D644-I647 HydrophobicContact CB-CB 4.42Å; D644-I647 CarbonylContact O-C 3.59Å; D644-I647 WeakPolarHBondContact O-CA 3.36Å; D644-I647 WeakPolarHBondContact O-CB 3.16Å; D644-I647 PolarHBondContact O-N 3.31Å; D644-Y648 HydrophobicContact CB-CD2 3.93Å; D644-Y648 HydrophobicContact CB-CE2 3.96Å; D644-Y648 WeakPolarHBondContact O-CD2 3.49Å; D644-Y648 PolarHBondContact O-N 3.17Å; D644-V682 HydrophobicContact CB-CG1 4.3Å; D644-R686 IonicContact OD1-CZ 3.13Å; D644-R686 VanDerWaalsContact OD1-CZ 3.24Å; D644-R686 IonicContact OD1-NE 3.27Å; D644-R686 PolarHBondContact OD1-NE 3.26Å; D644-R686 IonicContact OD1-NH2 3.96Å; D644-R686 PolarHBondContact OD1-NH2 3.42Å
645	C	88.9	Confident	87.7	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-52.5	-39.2	-177.7	54.3	0	0	0	0	113.1	H493 W494 I647 Y648 L649	H493-C645 VanDerWaalsContact CE1-CB 3.47Å; H493-C645 WeakPolarHBondContact CE1-CB 3.41Å; H493-C645 WeakPolarHBondContact ND1-CB 3.48Å; W494-C645 HydrophobicContact CB-CB 4.31Å; W494-C645 PolarHBondContact N-SG 3.19Å; W494-C645 VanDerWaalsContact N-SG 3.41Å; W494-C645 WeakPolarHBondContact O-CB 3.14Å; C645-I647 PolarHBondContact O-N 2.89Å; C645-Y648 PolarHBondContact O-N 3.28Å; C645-L649 WeakPolarHBondContact O-CB 3.1Å; C645-L649 PolarHBondContact O-N 2.73Å
646	G	94.4	Very high	88.1	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-40	173.1	0	0	0	0	0	113.1	D644 L649 L650	D644-G646 PolarHBondContact O-N 3.06Å; D644-G646 VanDerWaalsContact O-N 3.1Å; G646-L649 PolarHBondContact O-N 2.72Å; G646-L650 VanDerWaalsContact O-CG 3.27Å; G646-L650 WeakPolarHBondContact O-CG 3.33Å; G646-L650 PolarHBondContact O-N 2.97Å; G646-L650 VanDerWaalsContact O-N 3.1Å
647	I	94	Very high	88.2	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-43.1	176.3	-60.2	-74.8	0	0	0	110.8	L396 D644 C645 L650 H651 V682 K685 R686 I689	L396-I647 HydrophobicContact CD1-CD1 3.68Å; L396-I647 HydrophobicContact CD1-CG1 4.01Å; L396-I647 HydrophobicContact CD2-CD1 4.15Å; L396-I647 HydrophobicContact CG-CD1 4.21Å; L396-I647 HydrophobicContact CG-CG1 4.28Å; D644-I647 HydrophobicContact CB-CB 4.42Å; D644-I647 CarbonylContact O-C 3.59Å; D644-I647 WeakPolarHBondContact O-CA 3.36Å; D644-I647 WeakPolarHBondContact O-CB 3.16Å; D644-I647 PolarHBondContact O-N 3.31Å; C645-I647 PolarHBondContact O-N 2.89Å; I647-L650 PolarHBondContact O-N 3.34Å; I647-H651 WeakPolarHBondContact O-CB 3.15Å; I647-H651 PolarHBondContact O-N 3.24Å; I647-V682 HydrophobicContact CB-CG1 4.01Å; I647-V682 HydrophobicContact CG2-CB 4.3Å; I647-V682 HydrophobicContact CG2-CG1 3.37Å; I647-K685 HydrophobicContact CD1-CB 4.46Å; I647-K685 HydrophobicContact CG2-CB 3.48Å; I647-K685 VanDerWaalsContact CG2-CB 3.48Å; I647-K685 HydrophobicContact CG2-CG 3.78Å; I647-R686 HydrophobicContact CD1-CG 3.56Å; I647-R686 HydrophobicContact CG1-CG 4.01Å; I647-I689 HydrophobicContact CD1-CD1 3.95Å
648	Y	94.5	Very high	88.3	Confident	1 Å²	1	19 Å²	19	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-46.8	176	-84.2	-97.1	0	0	0	111.2	P637 V638 Q639 D644 C645 L650 H651 Y652 F677 V682	P637-Y648 HydrophobicContact CB-CE1 4.32Å; P637-Y648 WeakPolarHBondContact O-CD1 3.48Å; P637-Y648 VanDerWaalsContact O-CE1 3.28Å; P637-Y648 WeakPolarHBondContact O-CE1 3.5Å; V638-Y648 PolarHBondContact O-OH 3.24Å; Q639-Y648 HydrophobicContact CB-CD2 3.74Å; Q639-Y648 HydrophobicContact CB-CE1 4.45Å; Q639-Y648 HydrophobicContact CB-CE2 3.33Å; Q639-Y648 HydrophobicContact CB-CG 4.47Å; D644-Y648 HydrophobicContact CB-CD2 3.93Å; D644-Y648 HydrophobicContact CB-CE2 3.96Å; D644-Y648 WeakPolarHBondContact O-CD2 3.49Å; D644-Y648 PolarHBondContact O-N 3.17Å; C645-Y648 PolarHBondContact O-N 3.28Å; Y648-L650 PolarHBondContact O-N 3.23Å; Y648-H651 CarbonylContact O-C 3.47Å; Y648-H651 PolarHBondContact O-N 3.18Å; Y648-H651 VanDerWaalsContact O-N 3.13Å; Y648-Y652 HydrophobicContact CD1-CE1 4.18Å; Y648-Y652 AromaticContact CD1-CZ 3.87Å; Y648-Y652 WeakPolarHBondContact CD1-OH 3.36Å; Y648-Y652 WeakPolarHBondContact O-CD2 3.47Å; Y648-Y652 PolarHBondContact O-N 3.4Å; Y648-F677 HydrophobicContact CD1-CE2 4.03Å; Y648-F677 AromaticContact CD1-CZ 3.92Å; Y648-F677 HydrophobicContact CD1-CZ 3.92Å; Y648-F677 AromaticContact CE1-CE2 3.8Å; Y648-F677 HydrophobicContact CE1-CE2 3.8Å; Y648-F677 HydrophobicContact CE1-CZ 4.15Å; Y648-V682 HydrophobicContact CD1-CG2 4.31Å; Y648-V682 HydrophobicContact CD2-CG1 3.69Å; Y648-V682 HydrophobicContact CD2-CG2 4.39Å; Y648-V682 HydrophobicContact CE1-CG2 3.98Å; Y648-V682 HydrophobicContact CE2-CB 4.1Å; Y648-V682 HydrophobicContact CE2-CG1 3.38Å; Y648-V682 HydrophobicContact CE2-CG2 4.06Å; Y648-V682 HydrophobicContact CG-CG1 4.49Å
649	L	97.7	Very high	88.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-50.8	-54.6	173.4	179.1	164.5	0	0	0	111.2	I401 L405 P487 W494 F495 L496 C645 G646 H651 Y652 V653	I401-L649 HydrophobicContact CG2-CD2 4.42Å; L405-L649 HydrophobicContact CD1-CD2 4.32Å; L405-L649 HydrophobicContact CD2-CD2 4.24Å; P487-L649 HydrophobicContact CB-CD1 4.08Å; P487-L649 HydrophobicContact CB-CD2 4.4Å; W494-L649 HydrophobicContact CB-CB 4.47Å; W494-L649 HydrophobicContact CB-CD1 3.9Å; W494-L649 HydrophobicContact CE3-CD1 4.05Å; F495-L649 VanDerWaalsContact O-CD1 3.25Å; F495-L649 WeakPolarHBondContact O-CD1 3.39Å; L496-L649 HydrophobicContact CB-CG 4.19Å; C645-L649 WeakPolarHBondContact O-CB 3.1Å; C645-L649 PolarHBondContact O-N 2.73Å; G646-L649 PolarHBondContact O-N 2.72Å; L649-H651 VanDerWaalsContact C-N 3.27Å; L649-H651 PolarHBondContact O-N 2.91Å; L649-Y652 PolarHBondContact O-N 3.13Å; L649-V653 PolarHBondContact O-N 3.34Å
650	L	98.2	Very high	87.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-38.5	-179.1	-68.4	-179.6	0	0	0	112	L396 I401 Y404 L405 G646 I647 Y648 E654 I689	L396-L650 HydrophobicContact CD1-CD1 3.78Å; I401-L650 HydrophobicContact CD1-CD1 4.04Å; I401-L650 HydrophobicContact CD1-CD2 4.08Å; I401-L650 HydrophobicContact CD1-CG 3.9Å; I401-L650 HydrophobicContact CG2-CD2 4.2Å; Y404-L650 HydrophobicContact CD1-CB 3.73Å; Y404-L650 HydrophobicContact CD1-CD1 3.73Å; Y404-L650 HydrophobicContact CD1-CD2 3.89Å; Y404-L650 HydrophobicContact CD1-CG 3.96Å; Y404-L650 HydrophobicContact CE1-CB 4.1Å; Y404-L650 HydrophobicContact CG-CD1 3.91Å; Y404-L650 HydrophobicContact CG-CD2 4.41Å; L405-L650 HydrophobicContact CD1-CD2 4.45Å; L405-L650 HydrophobicContact CD2-CD2 3.64Å; L405-L650 HydrophobicContact CG-CD2 3.6Å; G646-L650 VanDerWaalsContact O-CG 3.27Å; G646-L650 WeakPolarHBondContact O-CG 3.33Å; G646-L650 PolarHBondContact O-N 2.97Å; G646-L650 VanDerWaalsContact O-N 3.1Å; I647-L650 PolarHBondContact O-N 3.34Å; Y648-L650 PolarHBondContact O-N 3.23Å; L650-E654 PolarHBondContact O-N 2.83Å; L650-E654 VanDerWaalsContact O-N 3.17Å; L650-I689 HydrophobicContact CD1-CD1 3.87Å
651	H	96	Very high	88.2	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.028	11%	0.11	C	C	.	.	H	α-helix	trans	-77	-32.3	-179.3	-160.7	46.5	0	0	0	113	I647 Y648 L649 V653 E654 M655 F677 T681	I647-H651 WeakPolarHBondContact O-CB 3.15Å; I647-H651 PolarHBondContact O-N 3.24Å; Y648-H651 CarbonylContact O-C 3.47Å; Y648-H651 PolarHBondContact O-N 3.18Å; Y648-H651 VanDerWaalsContact O-N 3.13Å; L649-H651 VanDerWaalsContact C-N 3.27Å; L649-H651 PolarHBondContact O-N 2.91Å; H651-V653 VanDerWaalsContact C-N 3.33Å; H651-V653 PolarHBondContact O-N 2.89Å; H651-E654 IonicContact CE1-OE2 3.44Å; H651-E654 IonicContact ND1-OE2 3.2Å; H651-E654 PolarHBondContact ND1-OE2 3.31Å; H651-E654 PolarHBondContact O-N 3.42Å; H651-M655 WeakPolarHBondContact O-CB 3.39Å; H651-M655 VanDerWaalsContact O-CG 3.27Å; H651-M655 WeakPolarHBondContact O-CG 3.3Å; H651-M655 PolarHBondContact O-N 3.45Å; H651-F677 AromaticContact CD2-CD1 3.45Å; H651-F677 VanDerWaalsContact CD2-CD1 3.45Å; H651-F677 WeakPolarHBondContact CD2-CD1 3.4Å; H651-F677 AromaticContact CD2-CD2 3.61Å; H651-F677 AromaticContact CD2-CE1 3.54Å; H651-F677 AromaticContact CD2-CE2 3.72Å; H651-F677 AromaticContact CD2-CG 3.47Å; H651-F677 VanDerWaalsContact CD2-CG 3.47Å; H651-F677 WeakPolarHBondContact CD2-CG 3.44Å; H651-F677 AromaticContact CD2-CZ 3.67Å; H651-F677 AromaticContact NE2-CD1 3.72Å; H651-F677 AromaticContact NE2-CD2 3.98Å; H651-F677 AromaticContact NE2-CG 3.53Å; H651-T681 WeakPolarHBondContact NE2-CG2 3.35Å
652	Y	95.9	Very high	88.1	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-45	170.8	-64	-38.5	0	0	0	111	F588 S590 V636 P637 Y648 L649 M655 F656 W676 F677	F588-Y652 HydrophobicContact CB-CD2 3.56Å; F588-Y652 HydrophobicContact CB-CE2 3.89Å; F588-Y652 HydrophobicContact CB-CG 4.15Å; F588-Y652 HydrophobicContact CD1-CD1 4.45Å; F588-Y652 HydrophobicContact CD1-CD2 4.37Å; F588-Y652 HydrophobicContact CD1-CG 4.14Å; F588-Y652 HydrophobicContact CG-CD2 4.31Å; F588-Y652 HydrophobicContact CG-CG 4.44Å; S590-Y652 VanDerWaalsContact CA-OH 3.29Å; S590-Y652 WeakPolarHBondContact CA-OH 3.47Å; S590-Y652 VanDerWaalsContact CB-OH 3.29Å; S590-Y652 WeakPolarHBondContact CB-OH 3.36Å; V636-Y652 HydrophobicContact CB-CD1 4.5Å; V636-Y652 HydrophobicContact CB-CE1 3.79Å; V636-Y652 HydrophobicContact CG1-CE1 4.49Å; V636-Y652 HydrophobicContact CG2-CE1 3.94Å; V636-Y652 HydrophobicContact CG2-CE2 4.33Å; V636-Y652 WeakPolarHBondContact CG2-OH 3.36Å; P637-Y652 PolarHBondContact O-OH 3.43Å; Y648-Y652 HydrophobicContact CD1-CE1 4.18Å; Y648-Y652 AromaticContact CD1-CZ 3.87Å; Y648-Y652 WeakPolarHBondContact CD1-OH 3.36Å; Y648-Y652 WeakPolarHBondContact O-CD2 3.47Å; Y648-Y652 PolarHBondContact O-N 3.4Å; L649-Y652 PolarHBondContact O-N 3.13Å; Y652-M655 PolarHBondContact O-N 3.04Å; Y652-F656 WeakPolarHBondContact O-CB 3.38Å; Y652-F656 PolarHBondContact O-N 3.29Å; Y652-W676 HydrophobicContact CD1-CE3 4.39Å; Y652-W676 HydrophobicContact CD1-CZ3 4.46Å; Y652-F677 AromaticContact CD1-CE1 3.75Å; Y652-F677 HydrophobicContact CD1-CE1 3.75Å; Y652-F677 AromaticContact CD1-CZ 3.9Å; Y652-F677 HydrophobicContact CD1-CZ 3.9Å; Y652-F677 AromaticContact CE1-CE1 3.84Å; Y652-F677 HydrophobicContact CE1-CE1 3.84Å; Y652-F677 AromaticContact CE1-CZ 3.6Å; Y652-F677 HydrophobicContact CE1-CZ 3.6Å
653	V	96.8	Very high	88.2	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.036	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-50	175.3	176.6	0	0	0	0	110.5	L405 L408 I485 L496 L649 H651 M655 F656 F657	L405-V653 HydrophobicContact CD2-CB 4.11Å; L405-V653 HydrophobicContact CD2-CG1 4.12Å; L405-V653 HydrophobicContact CD2-CG2 3.8Å; L408-V653 HydrophobicContact CD1-CB 4.22Å; L408-V653 HydrophobicContact CD1-CG1 3.95Å; I485-V653 HydrophobicContact CD1-CG1 3.95Å; I485-V653 HydrophobicContact CG2-CG2 4.07Å; L496-V653 HydrophobicContact CD1-CG2 3.96Å; L496-V653 HydrophobicContact CD2-CG2 3.62Å; L496-V653 HydrophobicContact CG-CG2 4.41Å; L649-V653 PolarHBondContact O-N 3.34Å; H651-V653 VanDerWaalsContact C-N 3.33Å; H651-V653 PolarHBondContact O-N 2.89Å; V653-M655 VanDerWaalsContact C-N 3.32Å; V653-M655 PolarHBondContact O-N 3.28Å; V653-F656 PolarHBondContact O-N 3.49Å; V653-F657 HydrophobicContact CG1-CD2 4.23Å; V653-F657 HydrophobicContact CG1-CE2 4.21Å; V653-F657 VanDerWaalsContact O-CD2 3.29Å; V653-F657 WeakPolarHBondContact O-CD2 2.87Å; V653-F657 PolarHBondContact O-N 2.81Å
654	E	95.5	Very high	88.2	Confident	19 Å²	19	28.9 Å²	28.9	9%	0.089	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-42.8	-179.9	-172.6	-175.6	-164.6	0	0	112.5	L408 L650 H651 F657 K658 K685	L408-E654 HydrophobicContact CD1-CB 4.06Å; L408-E654 HydrophobicContact CD2-CB 4.12Å; L408-E654 HydrophobicContact CD2-CG 3.98Å; L650-E654 PolarHBondContact O-N 2.83Å; L650-E654 VanDerWaalsContact O-N 3.17Å; H651-E654 IonicContact CE1-OE2 3.44Å; H651-E654 IonicContact ND1-OE2 3.2Å; H651-E654 PolarHBondContact ND1-OE2 3.31Å; H651-E654 PolarHBondContact O-N 3.42Å; E654-F657 PolarHBondContact O-N 2.76Å; E654-K658 HydrophobicContact CG-CD 4.01Å; E654-K658 HydrophobicContact CG-CG 4.46Å; E654-K658 WeakPolarHBondContact O-CB 3.31Å; E654-K658 WeakPolarHBondContact O-CG 3.47Å; E654-K658 PolarHBondContact O-N 2.88Å; E654-K658 VanDerWaalsContact OE1-CE 3.29Å; E654-K658 WeakPolarHBondContact OE1-CE 3.04Å; E654-K658 IonicContact OE1-NZ 3.61Å; E654-K658 PolarHBondContact OE1-NZ 3.39Å; E654-K685 VanDerWaalsContact CD-NZ 3.34Å; E654-K685 IonicContact OE1-NZ 3.89Å; E654-K685 PolarHBondContact OE1-NZ 3.21Å; E654-K685 VanDerWaalsContact OE2-CE 3.24Å; E654-K685 WeakPolarHBondContact OE2-CE 3.5Å; E654-K685 IonicContact OE2-NZ 2.75Å; E654-K685 PolarHBondContact OE2-NZ 3.08Å
655	M	92.6	Very high	87.7	Confident	17 Å²	17	29 Å²	29	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-38.1	-179.5	-71.4	-56.6	-54.5	0	0	112.5	H651 Y652 V653 F657 K658 K659 W676 F677	H651-M655 WeakPolarHBondContact O-CB 3.39Å; H651-M655 VanDerWaalsContact O-CG 3.27Å; H651-M655 WeakPolarHBondContact O-CG 3.3Å; H651-M655 PolarHBondContact O-N 3.45Å; Y652-M655 PolarHBondContact O-N 3.04Å; V653-M655 VanDerWaalsContact C-N 3.32Å; V653-M655 PolarHBondContact O-N 3.28Å; M655-F657 PolarHBondContact O-N 2.8Å; M655-K658 PolarHBondContact O-N 2.93Å; M655-K659 HydrophobicContact CE-CD 3.79Å; M655-K659 HydrophobicContact CE-CG 4.21Å; M655-K659 PolarHBondContact O-N 3.14Å; M655-W676 HydrophobicContact CB-CE3 4.28Å; M655-F677 HydrophobicContact CG-CD1 3.82Å; M655-F677 HydrophobicContact CG-CE1 4.33Å
656	F	92.6	Very high	86.9	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-56.4	-39	175.2	-174.8	-91.8	0	0	0	112	Y483 L498 F588 Y652 V653 K659 P660 V661 W676	Y483-F656 AromaticContact CD1-CE1 3.75Å; Y483-F656 HydrophobicContact CD1-CE1 3.75Å; Y483-F656 AromaticContact CD1-CZ 3.74Å; Y483-F656 HydrophobicContact CD1-CZ 3.74Å; Y483-F656 HydrophobicContact CD2-CE1 4.13Å; Y483-F656 AromaticContact CE1-CE1 3.68Å; Y483-F656 HydrophobicContact CE1-CE1 3.68Å; Y483-F656 AromaticContact CE1-CZ 3.4Å; Y483-F656 HydrophobicContact CE1-CZ 3.4Å; Y483-F656 HydrophobicContact CE2-CE1 4.04Å; Y483-F656 HydrophobicContact CE2-CZ 4.5Å; Y483-F656 AromaticContact CG-CE1 3.97Å; Y483-F656 HydrophobicContact CG-CE1 3.97Å; Y483-F656 HydrophobicContact CG-CZ 4.43Å; Y483-F656 AromaticContact CZ-CE1 3.79Å; Y483-F656 AromaticContact CZ-CZ 3.79Å; L498-F656 HydrophobicContact CD2-CD1 4.04Å; L498-F656 HydrophobicContact CD2-CD2 3.56Å; L498-F656 HydrophobicContact CD2-CE1 3.87Å; L498-F656 HydrophobicContact CD2-CE2 3.36Å; L498-F656 HydrophobicContact CD2-CG 3.91Å; L498-F656 HydrophobicContact CD2-CZ 3.55Å; F588-F656 HydrophobicContact CZ-CD2 4.48Å; Y652-F656 WeakPolarHBondContact O-CB 3.38Å; Y652-F656 PolarHBondContact O-N 3.29Å; V653-F656 PolarHBondContact O-N 3.49Å; F656-K659 CarbonylContact O-C 3.48Å; F656-P660 WeakPolarHBondContact O-CA 3.33Å; F656-V661 HydrophobicContact CD2-CG2 3.72Å; F656-V661 HydrophobicContact CE2-CB 4.13Å; F656-V661 HydrophobicContact CE2-CG2 3.36Å; F656-V661 HydrophobicContact CZ-CG2 4.3Å; F656-W676 HydrophobicContact CB-CH2 4.38Å; F656-W676 HydrophobicContact CD2-CH2 4.15Å
657	F	91.7	Very high	85.9	Confident	19 Å²	19	36.3 Å²	36.3	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-89.6	-23.7	179.1	-70.2	-77.3	0	0	0	114.5	L413 Q417 T421 Y483 I485 V653 E654 M655	L413-F657 HydrophobicContact CD1-CE1 4.43Å; L413-F657 HydrophobicContact CD1-CZ 4.48Å; L413-F657 HydrophobicContact CD2-CB 3.46Å; L413-F657 VanDerWaalsContact CD2-CB 3.46Å; L413-F657 HydrophobicContact CD2-CD1 3.66Å; L413-F657 HydrophobicContact CD2-CD2 3.78Å; L413-F657 HydrophobicContact CD2-CE1 4.36Å; L413-F657 HydrophobicContact CD2-CE2 4.48Å; L413-F657 HydrophobicContact CD2-CG 3.33Å; Q417-F657 HydrophobicContact CB-CD1 4.28Å; Q417-F657 HydrophobicContact CG-CD1 4.18Å; Q417-F657 PolarHBondContact NE2-O 3.28Å; T421-F657 HydrophobicContact CG2-CE1 4.46Å; T421-F657 HydrophobicContact CG2-CZ 3.76Å; T421-F657 WeakPolarHBondContact OG1-CE1 3.23Å; T421-F657 WeakPolarHBondContact OG1-CZ 3.46Å; Y483-F657 HydrophobicContact CD2-CE1 4.03Å; Y483-F657 HydrophobicContact CD2-CZ 4.36Å; I485-F657 HydrophobicContact CD1-CE2 3.72Å; I485-F657 HydrophobicContact CD1-CZ 4.13Å; I485-F657 HydrophobicContact CG1-CE2 4.46Å; V653-F657 HydrophobicContact CG1-CD2 4.23Å; V653-F657 HydrophobicContact CG1-CE2 4.21Å; V653-F657 VanDerWaalsContact O-CD2 3.29Å; V653-F657 WeakPolarHBondContact O-CD2 2.87Å; V653-F657 PolarHBondContact O-N 2.81Å; E654-F657 PolarHBondContact O-N 2.76Å; M655-F657 PolarHBondContact O-N 2.8Å
658	K	89.4	Confident	85.1	Confident	134 Å²	134	37.3 Å²	37.3	58%	0.583	18%	0.182	S	C	*	.	H	α-helix	trans	-75.8	-35.5	172.7	-78.2	-175.9	-177.9	175.5	0	112.7	E654 M655	E654-K658 HydrophobicContact CG-CD 4.01Å; E654-K658 HydrophobicContact CG-CG 4.46Å; E654-K658 WeakPolarHBondContact O-CB 3.31Å; E654-K658 WeakPolarHBondContact O-CG 3.47Å; E654-K658 PolarHBondContact O-N 2.88Å; E654-K658 VanDerWaalsContact OE1-CE 3.29Å; E654-K658 WeakPolarHBondContact OE1-CE 3.04Å; E654-K658 IonicContact OE1-NZ 3.61Å; E654-K658 PolarHBondContact OE1-NZ 3.39Å; M655-K658 PolarHBondContact O-N 2.93Å
659	K	81.6	Confident	84.3	Confident	122 Å²	122	37.3 Å²	37.3	53%	0.53	18%	0.182	S	C	.	.	S	Bend	trans	-128.7	78.3	176.3	-64.4	-176.4	-177.5	177.4	0	108.1	M655 F656 V661	M655-K659 HydrophobicContact CE-CD 3.79Å; M655-K659 HydrophobicContact CE-CG 4.21Å; M655-K659 PolarHBondContact O-N 3.14Å; F656-K659 CarbonylContact O-C 3.48Å; K659-V661 PolarHBondContact O-N 3.17Å
660	P	72.6	Confident	83.2	Confident	66 Å²	66	38.2 Å²	38.2	43%	0.429	19%	0.186	S	C	.	.			trans	-50	138.9	178.5	-26.8	35	0	0	0	111.8	F656 Q662	F656-P660 WeakPolarHBondContact O-CA 3.33Å; P660-Q662 PolarHBondContact O-N 3.27Å
661	V	73.7	Confident	82.2	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.03	20%	0.201	C	C	.	.			trans	-58.3	113.1	176.2	172.5	0	0	0	0	108.7	F656 K659 S663 Y664 Y668 F669 W676	F656-V661 HydrophobicContact CD2-CG2 3.72Å; F656-V661 HydrophobicContact CE2-CB 4.13Å; F656-V661 HydrophobicContact CE2-CG2 3.36Å; F656-V661 HydrophobicContact CZ-CG2 4.3Å; K659-V661 PolarHBondContact O-N 3.17Å; V661-S663 VanDerWaalsContact C-N 3.33Å; V661-S663 WeakPolarHBondContact CG1-O 3.45Å; V661-Y664 HydrophobicContact CB-CE2 4.26Å; V661-Y664 HydrophobicContact CG1-CD1 4.35Å; V661-Y664 HydrophobicContact CG1-CD2 3.99Å; V661-Y664 HydrophobicContact CG1-CE1 4.14Å; V661-Y664 HydrophobicContact CG1-CE2 3.78Å; V661-Y664 HydrophobicContact CG1-CG 4.25Å; V661-Y668 HydrophobicContact CB-CE1 4.14Å; V661-Y668 HydrophobicContact CG1-CD1 3.95Å; V661-Y668 HydrophobicContact CG1-CE1 3.64Å; V661-Y668 HydrophobicContact CG2-CE1 4.02Å; V661-F669 HydrophobicContact CG1-CE1 4.2Å; V661-W676 HydrophobicContact CG2-CZ2 4.17Å
662	Q	70.4	Confident	81.4	Confident	158 Å²	158	45.7 Å²	45.7	74%	0.738	22%	0.221	S	C	*	.	S	Bend	trans	-80.2	-23.5	-178	-62	-176.9	4.4	0	0	111.7	P660 Y668	P660-Q662 PolarHBondContact O-N 3.27Å; Q662-Y668 HydrophobicContact CB-CE2 4.31Å
663	S	74.1	Confident	80.8	Confident	25 Å²	25	45.7 Å²	45.7	18%	0.175	22%	0.221	C	C	.	.			trans	-146.9	138.3	-175.3	177.6	0	0	0	0	110.2	V661 T665 Y668	V661-S663 VanDerWaalsContact C-N 3.33Å; V661-S663 WeakPolarHBondContact CG1-O 3.45Å; S663-T665 VanDerWaalsContact C-N 3.33Å; S663-T665 VanDerWaalsContact OG-CG2 3.25Å; S663-T665 WeakPolarHBondContact OG-CG2 3.27Å; S663-T665 PolarHBondContact OG-N 2.9Å; S663-T665 PolarHBondContact OG-OG1 3.27Å; S663-Y668 WeakPolarHBondContact O-CB 3.45Å; S663-Y668 WeakPolarHBondContact O-CD1 3.13Å
664	Y	75.5	Confident	80.1	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.027	23%	0.229	C	C	.	.			trans	-102.3	22.6	177.2	-68.8	-103.6	0	0	0	111.4	Y483 C500 Y501 N580 M582 V661 F669	Y483-Y664 WeakPolarHBondContact CE1-OH 3.44Å; Y483-Y664 PolarHBondContact OH-OH 3Å; Y483-Y664 VanDerWaalsContact OH-OH 3.13Å; C500-Y664 HydrophobicContact CB-CE1 3.78Å; Y501-Y664 HydrophobicContact CD2-CE1 4.5Å; Y501-Y664 HydrophobicContact CE2-CE1 4.21Å; Y501-Y664 AromaticContact CE2-CE2 3.84Å; Y501-Y664 HydrophobicContact CE2-CE2 3.84Å; Y501-Y664 AromaticContact CE2-CZ 3.53Å; Y501-Y664 VanDerWaalsContact CE2-OH 3.27Å; Y501-Y664 WeakPolarHBondContact CE2-OH 3.38Å; N580-Y664 WeakPolarHBondContact O-CD2 3.35Å; M582-Y664 HydrophobicContact CB-CD1 4.17Å; M582-Y664 HydrophobicContact CB-CD2 4.5Å; M582-Y664 HydrophobicContact CB-CG 3.83Å; M582-Y664 HydrophobicContact CG-CG 4.43Å; V661-Y664 HydrophobicContact CB-CE2 4.26Å; V661-Y664 HydrophobicContact CG1-CD1 4.35Å; V661-Y664 HydrophobicContact CG1-CD2 3.99Å; V661-Y664 HydrophobicContact CG1-CE1 4.14Å; V661-Y664 HydrophobicContact CG1-CE2 3.78Å; V661-Y664 HydrophobicContact CG1-CG 4.25Å; Y664-F669 HydrophobicContact CD1-CE1 4.3Å; Y664-F669 AromaticContact CD1-CZ 3.79Å; Y664-F669 HydrophobicContact CD1-CZ 3.79Å; Y664-F669 HydrophobicContact CG-CZ 4.18Å; Y664-F669 WeakPolarHBondContact O-CE2 3.41Å
665	T	74.8	Confident	79.5	Confident	17 Å²	17	48.8 Å²	48.8	10%	0.104	26%	0.257	C	S	.	.	S	Bend	trans	-76.2	154.1	178.3	60.2	0	0	0	0	111.5	H520 S663 D667 Y668 F669	H520-T665 VanDerWaalsContact CA-CG2 3.47Å; H520-T665 HydrophobicContact CB-CG2 3.86Å; H520-T665 WeakPolarHBondContact O-CG2 3.42Å; S663-T665 VanDerWaalsContact C-N 3.33Å; S663-T665 VanDerWaalsContact OG-CG2 3.25Å; S663-T665 WeakPolarHBondContact OG-CG2 3.27Å; S663-T665 PolarHBondContact OG-N 2.9Å; S663-T665 PolarHBondContact OG-OG1 3.27Å; T665-D667 PolarHBondContact O-N 3.18Å; T665-Y668 PolarHBondContact O-N 2.8Å; T665-Y668 VanDerWaalsContact O-N 3.14Å; T665-Y668 PolarHBondContact OG1-N 3.23Å; T665-F669 PolarHBondContact O-N 2.98Å; T665-F669 VanDerWaalsContact O-N 3.09Å
666	K	73.6	Confident	79.3	Confident	61 Å²	61	48.6 Å²	48.6	27%	0.265	26%	0.255	S	S	.	.	H	α-helix	trans	-49.9	-45	171.9	-168.6	-163.9	173.8	-161.9	0	111.2	L331 E334 Y519 Y668 F669 Q670	L331-K666 HydrophobicContact CD2-CD 4.41Å; L331-K666 HydrophobicContact CD2-CG 3.72Å; E334-K666 IonicContact OE1-NZ 3.95Å; Y519-K666 HydrophobicContact CD2-CB 4.18Å; Y519-K666 HydrophobicContact CE2-CB 3.83Å; Y519-K666 HydrophobicContact CE2-CD 4.4Å; K666-Y668 PolarHBondContact O-N 2.69Å; K666-F669 PolarHBondContact O-N 3.04Å; K666-Q670 HydrophobicContact CG-CG 4.4Å; K666-Q670 WeakPolarHBondContact O-CB 3.35Å; K666-Q670 VanDerWaalsContact O-CG 3.3Å; K666-Q670 WeakPolarHBondContact O-CG 3.35Å; K666-Q670 PolarHBondContact O-N 3.36Å
667	D	73	Confident	79.1	Confident	94 Å²	94	49.1 Å²	49.1	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-45.1	179.9	-176.9	66.2	0	0	0	112.8	T665 F669 Q670 H671	T665-D667 PolarHBondContact O-N 3.18Å; D667-F669 PolarHBondContact O-N 3.39Å; D667-Q670 PolarHBondContact O-N 2.97Å; D667-Q670 VanDerWaalsContact O-N 3.16Å; D667-H671 PolarHBondContact O-N 2.85Å; D667-H671 PolarHBondContact O-ND1 3.38Å; D667-H671 IonicContact OD1-CE1 3.69Å; D667-H671 PolarHBondContact OD1-CE1 2.86Å; D667-H671 VanDerWaalsContact OD1-CE1 3.3Å; D667-H671 IonicContact OD1-CG 2.78Å; D667-H671 IonicContact OD1-ND1 3.22Å; D667-H671 PolarHBondContact OD1-ND1 3.42Å
668	Y	75.8	Confident	78.7	Confident	22 Å²	22	52.5 Å²	52.5	9%	0.086	28%	0.281	C	S	.	.	I	π-helix	trans	-62.8	-44.8	176.4	-172.9	-84.2	0	0	0	111.7	V661 Q662 S663 T665 K666 Q670 E672 M673	V661-Y668 HydrophobicContact CB-CE1 4.14Å; V661-Y668 HydrophobicContact CG1-CD1 3.95Å; V661-Y668 HydrophobicContact CG1-CE1 3.64Å; V661-Y668 HydrophobicContact CG2-CE1 4.02Å; Q662-Y668 HydrophobicContact CB-CE2 4.31Å; S663-Y668 WeakPolarHBondContact O-CB 3.45Å; S663-Y668 WeakPolarHBondContact O-CD1 3.13Å; T665-Y668 PolarHBondContact O-N 2.8Å; T665-Y668 VanDerWaalsContact O-N 3.14Å; T665-Y668 PolarHBondContact OG1-N 3.23Å; K666-Y668 PolarHBondContact O-N 2.69Å; Y668-Q670 PolarHBondContact O-N 2.7Å; Y668-E672 HydrophobicContact CD1-CB 4.32Å; Y668-E672 HydrophobicContact CD2-CB 3.65Å; Y668-E672 HydrophobicContact CD2-CG 3.56Å; Y668-E672 HydrophobicContact CE1-CB 4.28Å; Y668-E672 HydrophobicContact CE2-CB 3.62Å; Y668-E672 HydrophobicContact CE2-CG 3.78Å; Y668-E672 HydrophobicContact CG-CB 4.01Å; Y668-E672 HydrophobicContact CG-CG 4.23Å; Y668-E672 WeakPolarHBondContact O-CB 3.44Å; Y668-E672 PolarHBondContact O-N 2.99Å; Y668-M673 HydrophobicContact CD1-CG 3.97Å; Y668-M673 HydrophobicContact CD1-SD 4.21Å; Y668-M673 HydrophobicContact CE1-CG 3.7Å; Y668-M673 HydrophobicContact CE1-SD 4.19Å; Y668-M673 PolarHBondContact O-N 3.27Å
669	F	79.6	Confident	78	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-68.1	-21.4	177.2	-61.2	-23.1	0	0	0	113.4	L331 L586 F632 P634 R635 V661 Y664 T665 K666 D667 M673	L331-F669 HydrophobicContact CD1-CB 3.22Å; L331-F669 HydrophobicContact CD1-CD2 4.43Å; L331-F669 HydrophobicContact CD1-CG 4.33Å; L586-F669 HydrophobicContact CD1-CE1 4.2Å; L586-F669 HydrophobicContact CD1-CZ 4.35Å; L586-F669 HydrophobicContact CD2-CE1 4.15Å; L586-F669 HydrophobicContact CD2-CE2 3.89Å; L586-F669 HydrophobicContact CD2-CZ 3.66Å; F632-F669 HydrophobicContact CB-CD2 4.26Å; F632-F669 HydrophobicContact CB-CE2 4.38Å; F632-F669 HydrophobicContact CD1-CD2 4.02Å; F632-F669 HydrophobicContact CD1-CE2 4.19Å; F632-F669 AromaticContact CD2-CE2 3.98Å; F632-F669 HydrophobicContact CD2-CE2 3.98Å; F632-F669 HydrophobicContact CE1-CE2 4.49Å; F632-F669 HydrophobicContact CE2-CE2 4.3Å; F632-F669 HydrophobicContact CG-CD2 4.03Å; F632-F669 AromaticContact CG-CE2 3.92Å; F632-F669 HydrophobicContact CG-CE2 3.92Å; P634-F669 HydrophobicContact CB-CB 4.26Å; R635-F669 PolarHBondContact N-O 2.99Å; V661-F669 HydrophobicContact CG1-CE1 4.2Å; Y664-F669 HydrophobicContact CD1-CE1 4.3Å; Y664-F669 AromaticContact CD1-CZ 3.79Å; Y664-F669 HydrophobicContact CD1-CZ 3.79Å; Y664-F669 HydrophobicContact CG-CZ 4.18Å; Y664-F669 WeakPolarHBondContact O-CE2 3.41Å; T665-F669 PolarHBondContact O-N 2.98Å; T665-F669 VanDerWaalsContact O-N 3.09Å; K666-F669 PolarHBondContact O-N 3.04Å; D667-F669 PolarHBondContact O-N 3.39Å; F669-M673 HydrophobicContact CB-SD 4.29Å; F669-M673 HydrophobicContact CD1-SD 3.39Å; F669-M673 WeakPolarHBondContact CD1-SD 3.5Å; F669-M673 HydrophobicContact CE1-SD 4.12Å; F669-M673 HydrophobicContact CG-SD 4.22Å
670	Q	73.6	Confident	77.7	Confident	20 Å²	20	46.2 Å²	46.2	9%	0.093	27%	0.266	C	S	.	.	I	π-helix	trans	-86.7	-42.5	176.9	-80.6	-179.5	-58.6	0	0	113	L331 R635 K666 D667 Y668	L331-Q670 HydrophobicContact CB-CG 3.86Å; L331-Q670 HydrophobicContact CD1-CG 3.92Å; L331-Q670 HydrophobicContact CD2-CG 3.71Å; L331-Q670 HydrophobicContact CG-CG 4.01Å; R635-Q670 VanDerWaalsContact CD-O 3.26Å; R635-Q670 WeakPolarHBondContact CD-O 3.03Å; K666-Q670 HydrophobicContact CG-CG 4.4Å; K666-Q670 WeakPolarHBondContact O-CB 3.35Å; K666-Q670 VanDerWaalsContact O-CG 3.3Å; K666-Q670 WeakPolarHBondContact O-CG 3.35Å; K666-Q670 PolarHBondContact O-N 3.36Å; D667-Q670 PolarHBondContact O-N 2.97Å; D667-Q670 VanDerWaalsContact O-N 3.16Å; Y668-Q670 PolarHBondContact O-N 2.7Å
671	H	78	Confident	78.1	Confident	66 Å²	66	45.1 Å²	45.1	31%	0.306	26%	0.259	S	S	.	.	I	π-helix	trans	-109.8	-55.7	-166.9	-59.8	114.6	0	0	0	112.4	D667 M673 A674	D667-H671 PolarHBondContact O-N 2.85Å; D667-H671 PolarHBondContact O-ND1 3.38Å; D667-H671 IonicContact OD1-CE1 3.69Å; D667-H671 PolarHBondContact OD1-CE1 2.86Å; D667-H671 VanDerWaalsContact OD1-CE1 3.3Å; D667-H671 IonicContact OD1-CG 2.78Å; D667-H671 IonicContact OD1-ND1 3.22Å; D667-H671 PolarHBondContact OD1-ND1 3.42Å; H671-M673 PolarHBondContact O-N 3.31Å; H671-A674 WeakPolarHBondContact O-CB 3.46Å; H671-A674 PolarHBondContact O-N 2.84Å
672	E	77.5	Confident	78.3	Confident	97 Å²	97	45 Å²	45	45%	0.453	26%	0.258	S	S	.	.	I	π-helix	trans	-65.5	-40.9	-174.1	-68.1	-65.5	145.2	0	0	112.3	Y668 A674	Y668-E672 HydrophobicContact CD1-CB 4.32Å; Y668-E672 HydrophobicContact CD2-CB 3.65Å; Y668-E672 HydrophobicContact CD2-CG 3.56Å; Y668-E672 HydrophobicContact CE1-CB 4.28Å; Y668-E672 HydrophobicContact CE2-CB 3.62Å; Y668-E672 HydrophobicContact CE2-CG 3.78Å; Y668-E672 HydrophobicContact CG-CB 4.01Å; Y668-E672 HydrophobicContact CG-CG 4.23Å; Y668-E672 WeakPolarHBondContact O-CB 3.44Å; Y668-E672 PolarHBondContact O-N 2.99Å; E672-A674 VanDerWaalsContact C-N 3.31Å; E672-A674 PolarHBondContact O-N 3.49Å
673	M	83.4	Confident	78.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.8	-179.8	-64.4	-178.5	76.5	0	0	113.1	F588 P634 R635 V636 P637 Y668 F669 H671 G675 W676	F588-M673 HydrophobicContact CD1-CE 4.18Å; F588-M673 HydrophobicContact CE1-CE 3.12Å; F588-M673 HydrophobicContact CZ-CE 3.53Å; P634-M673 HydrophobicContact CB-CE 3.71Å; P634-M673 HydrophobicContact CB-SD 3.66Å; P634-M673 HydrophobicContact CG-CE 3.94Å; P634-M673 HydrophobicContact CG-SD 4.15Å; R635-M673 CarbonylContact O-C 3.53Å; R635-M673 WeakPolarHBondContact O-CB 3.38Å; V636-M673 HydrophobicContact CG1-CB 4.28Å; V636-M673 HydrophobicContact CG1-CE 4.14Å; P637-M673 WeakPolarHBondContact CD-O 3.44Å; Y668-M673 HydrophobicContact CD1-CG 3.97Å; Y668-M673 HydrophobicContact CD1-SD 4.21Å; Y668-M673 HydrophobicContact CE1-CG 3.7Å; Y668-M673 HydrophobicContact CE1-SD 4.19Å; Y668-M673 PolarHBondContact O-N 3.27Å; F669-M673 HydrophobicContact CB-SD 4.29Å; F669-M673 HydrophobicContact CD1-SD 3.39Å; F669-M673 WeakPolarHBondContact CD1-SD 3.5Å; F669-M673 HydrophobicContact CE1-SD 4.12Å; F669-M673 HydrophobicContact CG-SD 4.22Å; H671-M673 PolarHBondContact O-N 3.31Å; M673-G675 VanDerWaalsContact C-N 3.27Å; M673-G675 PolarHBondContact O-N 2.73Å; M673-W676 HydrophobicContact CB-CD2 4.37Å; M673-W676 HydrophobicContact CB-CZ2 4.44Å; M673-W676 HydrophobicContact CE-CH2 3.22Å; M673-W676 HydrophobicContact CE-CZ2 3.32Å; M673-W676 HydrophobicContact CE-CZ3 3.89Å; M673-W676 HydrophobicContact CG-CD2 4.46Å; M673-W676 HydrophobicContact CG-CZ2 3.73Å; M673-W676 WeakPolarHBondContact O-CB 3.36Å; M673-W676 PolarHBondContact O-N 3.07Å; M673-W676 HydrophobicContact SD-CZ2 4.17Å
674	A	83.2	Confident	78.9	Confident	26 Å²	26	46 Å²	46	22%	0.215	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.8	-178.1	0	0	0	0	0	112.1	R635 H671 E672	R635-A674 HydrophobicContact CB-CB 4.23Å; R635-A674 HydrophobicContact CG-CB 3.65Å; R635-A674 WeakPolarHBondContact O-CA 3.32Å; R635-A674 PolarHBondContact O-N 3.24Å; H671-A674 WeakPolarHBondContact O-CB 3.46Å; H671-A674 PolarHBondContact O-N 2.84Å; E672-A674 VanDerWaalsContact C-N 3.31Å; E672-A674 PolarHBondContact O-N 3.49Å
675	G	83.7	Confident	79.7	Confident	65 Å²	65	46 Å²	46	67%	0.67	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	16.9	179.6	0	0	0	0	0	114.8	M673 F677	M673-G675 VanDerWaalsContact C-N 3.27Å; M673-G675 PolarHBondContact O-N 2.73Å; G675-F677 VanDerWaalsContact C-N 3.29Å; G675-F677 PolarHBondContact O-N 3.06Å
676	W	87.1	Confident	80.4	Confident	13 Å²	13	45.9 Å²	45.9	5%	0.049	26%	0.263	C	S	.	.	S	Bend	trans	-54.9	-40.2	-171.7	-94.8	2.8	0	0	0	114.8	F588 P637 Y652 M655 F656 V661 M673	F588-W676 HydrophobicContact CD1-CZ3 4.08Å; F588-W676 AromaticContact CE1-CH2 3.46Å; F588-W676 HydrophobicContact CE1-CH2 3.46Å; F588-W676 VanDerWaalsContact CE1-CH2 3.46Å; F588-W676 AromaticContact CE1-CZ3 3.41Å; F588-W676 HydrophobicContact CE1-CZ3 3.41Å; F588-W676 VanDerWaalsContact CE1-CZ3 3.41Å; F588-W676 AromaticContact CZ-CH2 3.95Å; F588-W676 HydrophobicContact CZ-CH2 3.95Å; F588-W676 HydrophobicContact CZ-CZ3 4.27Å; P637-W676 HydrophobicContact CG-CB 4.24Å; Y652-W676 HydrophobicContact CD1-CE3 4.39Å; Y652-W676 HydrophobicContact CD1-CZ3 4.46Å; M655-W676 HydrophobicContact CB-CE3 4.28Å; F656-W676 HydrophobicContact CB-CH2 4.38Å; F656-W676 HydrophobicContact CD2-CH2 4.15Å; V661-W676 HydrophobicContact CG2-CZ2 4.17Å; M673-W676 HydrophobicContact CB-CD2 4.37Å; M673-W676 HydrophobicContact CB-CZ2 4.44Å; M673-W676 HydrophobicContact CE-CH2 3.22Å; M673-W676 HydrophobicContact CE-CZ2 3.32Å; M673-W676 HydrophobicContact CE-CZ3 3.89Å; M673-W676 HydrophobicContact CG-CD2 4.46Å; M673-W676 HydrophobicContact CG-CZ2 3.73Å; M673-W676 WeakPolarHBondContact O-CB 3.36Å; M673-W676 PolarHBondContact O-N 3.07Å; M673-W676 HydrophobicContact SD-CZ2 4.17Å
677	F	89	Confident	81.1	Confident	15 Å²	15	45.6 Å²	45.6	7%	0.066	27%	0.272	C	S	.	.	S	Bend	trans	-155.6	150.1	176.5	54	-93.4	0	0	0	111.3	P637 Y648 H651 Y652 M655 G675 V682	P637-F677 HydrophobicContact CB-CD2 4.07Å; P637-F677 HydrophobicContact CB-CE1 4.34Å; P637-F677 HydrophobicContact CB-CE2 3.61Å; P637-F677 HydrophobicContact CB-CZ 3.78Å; P637-F677 HydrophobicContact CG-CD1 4.04Å; P637-F677 HydrophobicContact CG-CD2 4.11Å; P637-F677 HydrophobicContact CG-CE1 3.91Å; P637-F677 HydrophobicContact CG-CE2 3.95Å; P637-F677 HydrophobicContact CG-CG 4.15Å; P637-F677 HydrophobicContact CG-CZ 3.88Å; P637-F677 WeakPolarHBondContact CG-O 3.29Å; Y648-F677 HydrophobicContact CD1-CE2 4.03Å; Y648-F677 AromaticContact CD1-CZ 3.92Å; Y648-F677 HydrophobicContact CD1-CZ 3.92Å; Y648-F677 AromaticContact CE1-CE2 3.8Å; Y648-F677 HydrophobicContact CE1-CE2 3.8Å; Y648-F677 HydrophobicContact CE1-CZ 4.15Å; H651-F677 AromaticContact CD2-CD1 3.45Å; H651-F677 VanDerWaalsContact CD2-CD1 3.45Å; H651-F677 WeakPolarHBondContact CD2-CD1 3.4Å; H651-F677 AromaticContact CD2-CD2 3.61Å; H651-F677 AromaticContact CD2-CE1 3.54Å; H651-F677 AromaticContact CD2-CE2 3.72Å; H651-F677 AromaticContact CD2-CG 3.47Å; H651-F677 VanDerWaalsContact CD2-CG 3.47Å; H651-F677 WeakPolarHBondContact CD2-CG 3.44Å; H651-F677 AromaticContact CD2-CZ 3.67Å; H651-F677 AromaticContact NE2-CD1 3.72Å; H651-F677 AromaticContact NE2-CD2 3.98Å; H651-F677 AromaticContact NE2-CG 3.53Å; Y652-F677 AromaticContact CD1-CE1 3.75Å; Y652-F677 HydrophobicContact CD1-CE1 3.75Å; Y652-F677 AromaticContact CD1-CZ 3.9Å; Y652-F677 HydrophobicContact CD1-CZ 3.9Å; Y652-F677 AromaticContact CE1-CE1 3.84Å; Y652-F677 HydrophobicContact CE1-CE1 3.84Å; Y652-F677 AromaticContact CE1-CZ 3.6Å; Y652-F677 HydrophobicContact CE1-CZ 3.6Å; M655-F677 HydrophobicContact CG-CD1 3.82Å; M655-F677 HydrophobicContact CG-CE1 4.33Å; G675-F677 VanDerWaalsContact C-N 3.29Å; G675-F677 PolarHBondContact O-N 3.06Å; F677-V682 HydrophobicContact CD2-CG2 3.91Å; F677-V682 HydrophobicContact CE2-CG2 3.41Å; F677-V682 VanDerWaalsContact CE2-CG2 3.41Å; F677-V682 HydrophobicContact CZ-CG2 4.29Å
678	P	84.1	Confident	82.2	Confident	89 Å²	89	45.4 Å²	45.4	58%	0.578	27%	0.268	S	S	*	.			trans	-76.9	149.8	172.4	30.7	-32.7	0	0	0	111	A680 T681	P678-A680 PolarHBondContact O-N 3.08Å; P678-A680 VanDerWaalsContact O-N 3.16Å; P678-T681 WeakPolarHBondContact CD-OG1 3.49Å; P678-T681 WeakPolarHBondContact CG-OG1 3.29Å; P678-T681 WeakPolarHBondContact O-CB 3.41Å; P678-T681 PolarHBondContact O-N 3.1Å; P678-T681 PolarHBondContact O-OG1 2.87Å
679	E	73.9	Confident	83.2	Confident	61 Å²	61	44.4 Å²	44.4	29%	0.285	26%	0.264	S	S	.	.	H	α-helix	trans	-52.9	-37.4	-179.8	179.7	171.6	179.3	0	0	113.5	S640 T681 V682 S683	S640-E679 WeakPolarHBondContact CB-OE1 3.35Å; S640-E679 PolarHBondContact OG-OE1 3.47Å; E679-T681 PolarHBondContact O-N 3.49Å; E679-V682 WeakPolarHBondContact O-CB 3.49Å; E679-V682 PolarHBondContact O-N 2.96Å; E679-S683 PolarHBondContact O-N 3.31Å; E679-S683 PolarHBondContact O-OG 3.38Å
680	A	75.1	Confident	83.9	Confident	63 Å²	63	48 Å²	48	52%	0.521	28%	0.28	S	S	.	.	H	α-helix	trans	-56.6	-20.4	177.2	0	0	0	0	0	114	P678	P678-A680 PolarHBondContact O-N 3.08Å; P678-A680 VanDerWaalsContact O-N 3.16Å
681	T	80.4	Confident	84.9	Confident	44 Å²	44	51 Å²	51	27%	0.27	30%	0.297	S	S	.	.	H	α-helix	trans	-69.4	-43.8	175	-48.2	0	0	0	0	111.2	H651 P678 E679 K684 K685	H651-T681 WeakPolarHBondContact NE2-CG2 3.35Å; P678-T681 WeakPolarHBondContact CD-OG1 3.49Å; P678-T681 WeakPolarHBondContact CG-OG1 3.29Å; P678-T681 WeakPolarHBondContact O-CB 3.41Å; P678-T681 PolarHBondContact O-N 3.1Å; P678-T681 PolarHBondContact O-OG1 2.87Å; E679-T681 PolarHBondContact O-N 3.49Å; T681-K684 PolarHBondContact O-N 3.09Å; T681-K685 PolarHBondContact O-N 3.49Å
682	V	78.6	Confident	85.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-40.1	-179.4	174.5	0	0	0	0	110.3	D644 I647 Y648 F677 E679 K684 K685	D644-V682 HydrophobicContact CB-CG1 4.3Å; I647-V682 HydrophobicContact CB-CG1 4.01Å; I647-V682 HydrophobicContact CG2-CB 4.3Å; I647-V682 HydrophobicContact CG2-CG1 3.37Å; Y648-V682 HydrophobicContact CD1-CG2 4.31Å; Y648-V682 HydrophobicContact CD2-CG1 3.69Å; Y648-V682 HydrophobicContact CD2-CG2 4.39Å; Y648-V682 HydrophobicContact CE1-CG2 3.98Å; Y648-V682 HydrophobicContact CE2-CB 4.1Å; Y648-V682 HydrophobicContact CE2-CG1 3.38Å; Y648-V682 HydrophobicContact CE2-CG2 4.06Å; Y648-V682 HydrophobicContact CG-CG1 4.49Å; F677-V682 HydrophobicContact CD2-CG2 3.91Å; F677-V682 HydrophobicContact CE2-CG2 3.41Å; F677-V682 VanDerWaalsContact CE2-CG2 3.41Å; F677-V682 HydrophobicContact CZ-CG2 4.29Å; E679-V682 WeakPolarHBondContact O-CB 3.49Å; E679-V682 PolarHBondContact O-N 2.96Å; V682-K684 PolarHBondContact O-N 3.25Å; V682-K684 VanDerWaalsContact O-N 3.1Å; V682-K685 WeakPolarHBondContact O-CB 3.43Å; V682-K685 PolarHBondContact O-N 2.97Å
683	S	73	Confident	86.6	Confident	65 Å²	65	44.6 Å²	44.6	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-26.8	-179.4	-41.6	0	0	0	0	113.5	E679	E679-S683 PolarHBondContact O-N 3.31Å; E679-S683 PolarHBondContact O-OG 3.38Å
684	K	84.7	Confident	87	Confident	139 Å²	139	47.5 Å²	47.5	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-88.4	-15.1	176.9	-64.3	178.7	-177.5	179.4	0	112.8	T681 V682 R686 A687 Q688	T681-K684 PolarHBondContact O-N 3.09Å; V682-K684 PolarHBondContact O-N 3.25Å; V682-K684 VanDerWaalsContact O-N 3.1Å; K684-R686 PolarHBondContact O-N 3Å; K684-A687 PolarHBondContact O-N 3.34Å; K684-Q688 WeakPolarHBondContact O-CG 3.14Å; K684-Q688 PolarHBondContact O-N 2.98Å; K684-Q688 VanDerWaalsContact O-N 3.11Å
685	K	91.1	Very high	87.5	Confident	7 Å²	7	50.5 Å²	50.5	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-37.1	-170.5	-156.3	79.5	-172.7	164.6	0	112.7	Y404 I647 E654 T681 V682 A687 Q688 I689	Y404-K685 WeakPolarHBondContact OH-CE 3.41Å; Y404-K685 PolarHBondContact OH-NZ 2.98Å; I647-K685 HydrophobicContact CD1-CB 4.46Å; I647-K685 HydrophobicContact CG2-CB 3.48Å; I647-K685 VanDerWaalsContact CG2-CB 3.48Å; I647-K685 HydrophobicContact CG2-CG 3.78Å; E654-K685 VanDerWaalsContact CD-NZ 3.34Å; E654-K685 IonicContact OE1-NZ 3.89Å; E654-K685 PolarHBondContact OE1-NZ 3.21Å; E654-K685 VanDerWaalsContact OE2-CE 3.24Å; E654-K685 WeakPolarHBondContact OE2-CE 3.5Å; E654-K685 IonicContact OE2-NZ 2.75Å; E654-K685 PolarHBondContact OE2-NZ 3.08Å; T681-K685 PolarHBondContact O-N 3.49Å; V682-K685 WeakPolarHBondContact O-CB 3.43Å; V682-K685 PolarHBondContact O-N 2.97Å; K685-A687 PolarHBondContact O-N 3.44Å; K685-Q688 WeakPolarHBondContact O-CB 3.11Å; K685-Q688 PolarHBondContact O-N 2.89Å; K685-I689 HydrophobicContact CG-CD1 4.13Å; K685-I689 HydrophobicContact CG-CG1 4.47Å; K685-I689 VanDerWaalsContact O-CG1 3.26Å; K685-I689 WeakPolarHBondContact O-CG1 3.47Å; K685-I689 PolarHBondContact O-N 2.83Å
686	R	89.7	Confident	87.8	Confident	15 Å²	15	47.9 Å²	47.9	6%	0.057	27%	0.269	C	S	.	.	H	α-helix	trans	-54	-52.7	175	-75.6	178.4	-178.7	-83.1	-5.8	112	C389 L390 A391 A394 V643 D644 I647 K684 Q688 I689 H690	C389-R686 PolarHBondContact O-NH1 3.42Å; L390-R686 WeakPolarHBondContact O-CB 3.42Å; A391-R686 PolarHBondContact O-NH1 3.08Å; A391-R686 VanDerWaalsContact O-NH1 3.12Å; A394-R686 PolarHBondContact O-NH1 3.37Å; A394-R686 PolarHBondContact O-NH2 3.48Å; V643-R686 PolarHBondContact O-NH2 3.44Å; D644-R686 IonicContact OD1-CZ 3.13Å; D644-R686 VanDerWaalsContact OD1-CZ 3.24Å; D644-R686 IonicContact OD1-NE 3.27Å; D644-R686 PolarHBondContact OD1-NE 3.26Å; D644-R686 IonicContact OD1-NH2 3.96Å; D644-R686 PolarHBondContact OD1-NH2 3.42Å; I647-R686 HydrophobicContact CD1-CG 3.56Å; I647-R686 HydrophobicContact CG1-CG 4.01Å; K684-R686 PolarHBondContact O-N 3Å; R686-Q688 VanDerWaalsContact C-N 3.35Å; R686-Q688 PolarHBondContact O-N 3.21Å; R686-I689 PolarHBondContact O-N 3.27Å; R686-H690 WeakPolarHBondContact O-CB 3.45Å; R686-H690 PolarHBondContact O-N 3.28Å
687	A	89.8	Confident	87.9	Confident	55 Å²	55	50 Å²	50	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.5	0	0	0	0	0	111.7	K684 K685 I689 H690 D691	K684-A687 PolarHBondContact O-N 3.34Å; K685-A687 PolarHBondContact O-N 3.44Å; A687-I689 VanDerWaalsContact C-N 3.34Å; A687-I689 PolarHBondContact O-N 2.86Å; A687-H690 WeakPolarHBondContact O-CB 3.38Å; A687-H690 PolarHBondContact O-N 2.87Å; A687-D691 WeakPolarHBondContact O-CB 3.47Å; A687-D691 PolarHBondContact O-N 3.24Å
688	Q	94.8	Very high	87.9	Confident	90 Å²	90	53 Å²	53	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-39.9	177.3	-68.8	172.7	-0.9	0	0	113.2	K684 K685 R686 L692	K684-Q688 WeakPolarHBondContact O-CG 3.14Å; K684-Q688 PolarHBondContact O-N 2.98Å; K684-Q688 VanDerWaalsContact O-N 3.11Å; K685-Q688 WeakPolarHBondContact O-CB 3.11Å; K685-Q688 PolarHBondContact O-N 2.89Å; R686-Q688 VanDerWaalsContact C-N 3.35Å; R686-Q688 PolarHBondContact O-N 3.21Å; Q688-L692 VanDerWaalsContact O-CB 3.24Å; Q688-L692 WeakPolarHBondContact O-CB 3.45Å; Q688-L692 PolarHBondContact O-N 3.27Å
689	I	96.2	Very high	88.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69.8	-40.8	177.5	-63.3	168.3	0	0	0	110	L390 I400 F403 Y404 I647 L650 K685 R686 A687 L692 L693	L390-I689 HydrophobicContact CD1-CB 4.35Å; L390-I689 HydrophobicContact CD1-CG2 3.87Å; L390-I689 HydrophobicContact CD2-CB 3.85Å; L390-I689 HydrophobicContact CD2-CD1 4.34Å; L390-I689 HydrophobicContact CD2-CG2 3.72Å; L390-I689 HydrophobicContact CG-CG2 4.47Å; I400-I689 HydrophobicContact CG2-CG2 4.31Å; F403-I689 HydrophobicContact CD1-CG2 4.44Å; F403-I689 HydrophobicContact CE1-CG2 4.08Å; Y404-I689 HydrophobicContact CD2-CB 4.46Å; Y404-I689 HydrophobicContact CD2-CD1 4.18Å; Y404-I689 HydrophobicContact CD2-CG1 3.7Å; Y404-I689 HydrophobicContact CD2-CG2 4.12Å; Y404-I689 HydrophobicContact CE2-CD1 4.34Å; Y404-I689 HydrophobicContact CE2-CG1 3.62Å; Y404-I689 HydrophobicContact CG-CD1 4.31Å; Y404-I689 HydrophobicContact CG-CG1 4.32Å; I647-I689 HydrophobicContact CD1-CD1 3.95Å; L650-I689 HydrophobicContact CD1-CD1 3.87Å; K685-I689 HydrophobicContact CG-CD1 4.13Å; K685-I689 HydrophobicContact CG-CG1 4.47Å; K685-I689 VanDerWaalsContact O-CG1 3.26Å; K685-I689 WeakPolarHBondContact O-CG1 3.47Å; K685-I689 PolarHBondContact O-N 2.83Å; R686-I689 PolarHBondContact O-N 3.27Å; A687-I689 VanDerWaalsContact C-N 3.34Å; A687-I689 PolarHBondContact O-N 2.86Å; I689-L692 WeakPolarHBondContact O-CB 3.32Å; I689-L692 PolarHBondContact O-N 3.2Å; I689-L693 HydrophobicContact CG2-CD1 4.31Å; I689-L693 WeakPolarHBondContact O-CG 3.42Å; I689-L693 PolarHBondContact O-N 2.87Å
690	H	94.8	Very high	88.6	Confident	75 Å²	75	53.4 Å²	53.4	35%	0.347	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-53	175	176.5	-82.2	0	0	0	111.4	L390 R686 A687 L692 L693 V694	L390-H690 HydrophobicContact CD1-CB 4.07Å; R686-H690 WeakPolarHBondContact O-CB 3.45Å; R686-H690 PolarHBondContact O-N 3.28Å; A687-H690 WeakPolarHBondContact O-CB 3.38Å; A687-H690 PolarHBondContact O-N 2.87Å; H690-L692 PolarHBondContact O-N 3.06Å; H690-L693 WeakPolarHBondContact O-CB 3.4Å; H690-L693 PolarHBondContact O-N 3.26Å; H690-V694 WeakPolarHBondContact O-CG2 3.29Å; H690-V694 PolarHBondContact O-N 2.93Å
691	D	95.2	Very high	89	Confident	85 Å²	85	53.8 Å²	53.8	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-36.4	179.1	-63.7	-15.6	0	0	0	111.3	A687 V694 N695	A687-D691 WeakPolarHBondContact O-CB 3.47Å; A687-D691 PolarHBondContact O-N 3.24Å; D691-V694 PolarHBondContact O-N 3.36Å; D691-N695 WeakPolarHBondContact O-CB 3.35Å; D691-N695 VanDerWaalsContact O-CG 3.27Å; D691-N695 PolarHBondContact O-N 3.4Å; D691-N695 PolarHBondContact O-ND2 3.25Å
692	L	96	Very high	89.3	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-44.9	173.8	175.2	65	0	0	0	111.8	F403 Y404 Y407 Q688 I689 H690 N695 L696	F403-L692 HydrophobicContact CE1-CD2 4.25Å; F403-L692 HydrophobicContact CZ-CD2 3.96Å; F403-L692 HydrophobicContact CZ-CG 4.15Å; Y404-L692 HydrophobicContact CD2-CD2 4.13Å; Y404-L692 HydrophobicContact CE2-CD2 3.92Å; Y407-L692 HydrophobicContact CD1-CD2 3.51Å; Y407-L692 HydrophobicContact CD2-CD1 4.4Å; Y407-L692 HydrophobicContact CD2-CD2 4.03Å; Y407-L692 HydrophobicContact CE1-CD1 4.33Å; Y407-L692 HydrophobicContact CE1-CD2 3.36Å; Y407-L692 HydrophobicContact CE1-CG 4.49Å; Y407-L692 HydrophobicContact CE2-CD1 3.71Å; Y407-L692 HydrophobicContact CE2-CD2 3.92Å; Y407-L692 HydrophobicContact CE2-CG 4.38Å; Y407-L692 HydrophobicContact CG-CD2 3.8Å; Y407-L692 WeakPolarHBondContact OH-CD1 3.3Å; Q688-L692 VanDerWaalsContact O-CB 3.24Å; Q688-L692 WeakPolarHBondContact O-CB 3.45Å; Q688-L692 PolarHBondContact O-N 3.27Å; I689-L692 WeakPolarHBondContact O-CB 3.32Å; I689-L692 PolarHBondContact O-N 3.2Å; H690-L692 PolarHBondContact O-N 3.06Å; L692-N695 PolarHBondContact O-N 3.18Å; L692-L696 HydrophobicContact CD1-CD1 3.88Å; L692-L696 HydrophobicContact CD1-CG 4Å; L692-L696 HydrophobicContact CG-CD1 3.88Å; L692-L696 HydrophobicContact CG-CG 4.38Å; L692-L696 WeakPolarHBondContact O-CB 3.05Å; L692-L696 VanDerWaalsContact O-CG 3.29Å; L692-L696 WeakPolarHBondContact O-CG 3.23Å; L692-L696 PolarHBondContact O-N 3.4Å
693	L	94.7	Very high	89.5	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-44.3	177.6	-77	164.3	0	0	0	111.6	F369 I382 I387 L390 I400 F403 I689 H690 L696 R697	F369-L693 HydrophobicContact CE1-CD2 3.84Å; F369-L693 HydrophobicContact CZ-CD2 3.78Å; I382-L693 HydrophobicContact CG1-CD2 4.36Å; I382-L693 HydrophobicContact CG2-CD2 4.29Å; I387-L693 HydrophobicContact CG1-CD1 4.36Å; L390-L693 HydrophobicContact CD1-CD1 3.59Å; I400-L693 HydrophobicContact CD1-CD1 3.87Å; F403-L693 HydrophobicContact CD1-CD1 4.36Å; F403-L693 HydrophobicContact CD1-CD2 3.69Å; F403-L693 HydrophobicContact CD1-CG 4.11Å; F403-L693 HydrophobicContact CD2-CD2 3.79Å; F403-L693 HydrophobicContact CE1-CD1 4.15Å; F403-L693 HydrophobicContact CE1-CD2 3.39Å; F403-L693 HydrophobicContact CE1-CG 3.53Å; F403-L693 HydrophobicContact CE2-CD2 3.52Å; F403-L693 HydrophobicContact CE2-CG 4.43Å; F403-L693 HydrophobicContact CG-CD2 3.89Å; F403-L693 HydrophobicContact CZ-CD2 3.32Å; F403-L693 HydrophobicContact CZ-CG 3.74Å; I689-L693 HydrophobicContact CG2-CD1 4.31Å; I689-L693 WeakPolarHBondContact O-CG 3.42Å; I689-L693 PolarHBondContact O-N 2.87Å; H690-L693 WeakPolarHBondContact O-CB 3.4Å; H690-L693 PolarHBondContact O-N 3.26Å; L693-L696 PolarHBondContact O-N 2.92Å; L693-R697 WeakPolarHBondContact O-CB 3.28Å; L693-R697 PolarHBondContact O-N 2.85Å
694	V	92	Very high	89.9	Confident	61 Å²	61	66.9 Å²	66.9	37%	0.37	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-50.3	175.5	175.4	0	0	0	0	110.4	H690 D691 L696 R697 E698	H690-V694 WeakPolarHBondContact O-CG2 3.29Å; H690-V694 PolarHBondContact O-N 2.93Å; D691-V694 PolarHBondContact O-N 3.36Å; V694-L696 PolarHBondContact O-N 3.49Å; V694-R697 WeakPolarHBondContact O-CB 3.23Å; V694-R697 PolarHBondContact O-N 3.19Å; V694-E698 PolarHBondContact O-N 2.95Å
695	N	93	Very high	89.8	Confident	89 Å²	89	64.4 Å²	64.4	48%	0.476	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-40	179.4	-76.1	-53.1	0	0	0	113.2	D691 L692 R699	D691-N695 WeakPolarHBondContact O-CB 3.35Å; D691-N695 VanDerWaalsContact O-CG 3.27Å; D691-N695 PolarHBondContact O-N 3.4Å; D691-N695 PolarHBondContact O-ND2 3.25Å; L692-N695 PolarHBondContact O-N 3.18Å; N695-R699 PolarHBondContact O-N 3.24Å
696	L	91.8	Very high	89.2	Confident	9 Å²	9	72.7 Å²	72.7	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-69.4	-36.3	177.8	-74	173	0	0	0	112	Y371 F403 Y407 L692 L693 V694 R699 N700	Y371-L696 HydrophobicContact CD2-CD1 4.11Å; Y371-L696 HydrophobicContact CE2-CD1 3.73Å; Y371-L696 HydrophobicContact CE2-CD2 4.26Å; F403-L696 HydrophobicContact CE2-CD1 3.62Å; F403-L696 HydrophobicContact CZ-CD1 3.66Å; Y407-L696 HydrophobicContact CD2-CD1 4.37Å; L692-L696 HydrophobicContact CD1-CD1 3.88Å; L692-L696 HydrophobicContact CD1-CG 4Å; L692-L696 HydrophobicContact CG-CD1 3.88Å; L692-L696 HydrophobicContact CG-CG 4.38Å; L692-L696 WeakPolarHBondContact O-CB 3.05Å; L692-L696 VanDerWaalsContact O-CG 3.29Å; L692-L696 WeakPolarHBondContact O-CG 3.23Å; L692-L696 PolarHBondContact O-N 3.4Å; L693-L696 PolarHBondContact O-N 2.92Å; V694-L696 PolarHBondContact O-N 3.49Å; L696-R699 VanDerWaalsContact CD2-NH1 3.28Å; L696-R699 PolarHBondContact O-N 2.78Å; L696-N700 PolarHBondContact O-N 3.29Å
697	R	88.2	Confident	88.2	Confident	57 Å²	57	81.2 Å²	81.2	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-50.1	173.1	-178.7	-174.9	178.3	-158.4	0.8	110.9	M367 F369 L693 V694 R699 N700 L701	M367-R697 VanDerWaalsContact CG-CZ 3.44Å; F369-R697 HydrophobicContact CB-CG 4.42Å; F369-R697 HydrophobicContact CD1-CB 4.37Å; F369-R697 HydrophobicContact CG-CB 4.42Å; F369-R697 HydrophobicContact CG-CG 4.43Å; L693-R697 WeakPolarHBondContact O-CB 3.28Å; L693-R697 PolarHBondContact O-N 2.85Å; V694-R697 WeakPolarHBondContact O-CB 3.23Å; V694-R697 PolarHBondContact O-N 3.19Å; R697-R699 VanDerWaalsContact C-N 3.25Å; R697-R699 PolarHBondContact O-N 2.73Å; R697-N700 WeakPolarHBondContact O-CB 3.44Å; R697-N700 PolarHBondContact O-N 2.97Å; R697-N700 VanDerWaalsContact O-N 3.08Å; R697-L701 HydrophobicContact CG-CD1 4.22Å; R697-L701 WeakPolarHBondContact O-CG 3.44Å; R697-L701 PolarHBondContact O-N 2.81Å
698	E	89.4	Confident	88.1	Confident	80 Å²	80	82.6 Å²	82.6	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-57.1	-41.4	177	-73.7	-174.2	-156.5	0	0	111.9	V694 L701 R702	V694-E698 PolarHBondContact O-N 2.95Å; E698-L701 PolarHBondContact O-N 2.93Å; E698-R702 VanDerWaalsContact O-CG 3.24Å; E698-R702 WeakPolarHBondContact O-CG 3.38Å; E698-R702 PolarHBondContact O-N 3.19Å; E698-R702 IonicContact OE2-CZ 3.28Å; E698-R702 IonicContact OE2-NH2 3.99Å; E698-R702 PolarHBondContact OE2-NH2 2.85Å
699	R	87.8	Confident	87.7	Confident	118 Å²	118	82.2 Å²	82.2	45%	0.445	40%	0.401	S	S	.	.	H	α-helix	trans	-60.7	-46	174.8	-169	-173.8	-60.4	154.9	1.8	111.6	E411 N695 L696 R697 L701 R702 E703	E411-R699 IonicContact OE2-NH1 3.9Å; E411-R699 PolarHBondContact OE2-NH1 3.43Å; N695-R699 PolarHBondContact O-N 3.24Å; L696-R699 VanDerWaalsContact CD2-NH1 3.28Å; L696-R699 PolarHBondContact O-N 2.78Å; R697-R699 VanDerWaalsContact C-N 3.25Å; R697-R699 PolarHBondContact O-N 2.73Å; R699-L701 PolarHBondContact O-N 3.35Å; R699-R702 PolarHBondContact O-N 3.35Å; R699-E703 WeakPolarHBondContact O-CG 3.5Å; R699-E703 PolarHBondContact O-N 2.73Å
700	N	83.6	Confident	87.3	Confident	39 Å²	39	86.7 Å²	86.7	21%	0.209	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-40.7	179.1	-169.2	-100.2	0	0	0	112.5	L696 R697 E703 K704	L696-N700 PolarHBondContact O-N 3.29Å; R697-N700 WeakPolarHBondContact O-CB 3.44Å; R697-N700 PolarHBondContact O-N 2.97Å; R697-N700 VanDerWaalsContact O-N 3.08Å; N700-E703 PolarHBondContact O-N 3.32Å; N700-K704 WeakPolarHBondContact O-CB 3.47Å; N700-K704 WeakPolarHBondContact O-CG 3.35Å; N700-K704 PolarHBondContact O-N 3.49Å; N700-K704 WeakPolarHBondContact OD1-CE 3.34Å; N700-K704 PolarHBondContact OD1-NZ 3.06Å
701	L	85.2	Confident	86.8	Confident	72 Å²	72	87.4 Å²	87.4	38%	0.377	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-42.6	176.3	-68.6	173.7	0	0	0	111.5	R697 E698 R699 E703 K704 A705	R697-L701 HydrophobicContact CG-CD1 4.22Å; R697-L701 WeakPolarHBondContact O-CG 3.44Å; R697-L701 PolarHBondContact O-N 2.81Å; E698-L701 PolarHBondContact O-N 2.93Å; R699-L701 PolarHBondContact O-N 3.35Å; L701-E703 PolarHBondContact O-N 3.44Å; L701-K704 PolarHBondContact O-N 2.72Å; L701-A705 WeakPolarHBondContact O-CB 2.93Å; L701-A705 PolarHBondContact O-N 3.5Å
702	R	86.2	Confident	86.3	Confident	160 Å²	160	87.6 Å²	87.6	60%	0.604	43%	0.426	S	S	*	.	H	α-helix	trans	-65.1	-36.7	176.7	-69.4	173.5	-163.3	-174.3	10.3	112.7	E698 R699 K706	E698-R702 VanDerWaalsContact O-CG 3.24Å; E698-R702 WeakPolarHBondContact O-CG 3.38Å; E698-R702 PolarHBondContact O-N 3.19Å; E698-R702 IonicContact OE2-CZ 3.28Å; E698-R702 IonicContact OE2-NH2 3.99Å; E698-R702 PolarHBondContact OE2-NH2 2.85Å; R699-R702 PolarHBondContact O-N 3.35Å; R702-K706 WeakPolarHBondContact O-CG 3.17Å; R702-K706 PolarHBondContact O-N 3.42Å
703	E	82.7	Confident	85.7	Confident	104 Å²	104	91.7 Å²	91.7	49%	0.486	45%	0.446	S	S	.	.	H	α-helix	trans	-70	-40.5	175.4	-74.5	174.1	-175.4	0	0	111.8	R699 N700 L701 A705 K706 N707	R699-E703 WeakPolarHBondContact O-CG 3.5Å; R699-E703 PolarHBondContact O-N 2.73Å; N700-E703 PolarHBondContact O-N 3.32Å; L701-E703 PolarHBondContact O-N 3.44Å; E703-A705 VanDerWaalsContact C-N 3.34Å; E703-A705 PolarHBondContact O-N 3.4Å; E703-K706 PolarHBondContact O-N 2.97Å; E703-N707 PolarHBondContact O-N 2.7Å
704	K	80.2	Confident	85	Confident	121 Å²	121	98.1 Å²	98.1	53%	0.526	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-33.5	174.4	-78.1	175.1	174.8	164.1	0	113.5	N700 L701 K706	N700-K704 WeakPolarHBondContact O-CB 3.47Å; N700-K704 WeakPolarHBondContact O-CG 3.35Å; N700-K704 PolarHBondContact O-N 3.49Å; N700-K704 WeakPolarHBondContact OD1-CE 3.34Å; N700-K704 PolarHBondContact OD1-NZ 3.06Å; L701-K704 PolarHBondContact O-N 2.72Å; K704-K706 VanDerWaalsContact C-N 3.28Å; K704-K706 PolarHBondContact O-N 3.4Å
705	A	83.6	Confident	84.5	Confident	87 Å²	87	100.9 Å²	100.9	72%	0.719	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.9	177.2	0	0	0	0	0	113.5	L701 E703	L701-A705 WeakPolarHBondContact O-CB 2.93Å; L701-A705 PolarHBondContact O-N 3.5Å; E703-A705 VanDerWaalsContact C-N 3.34Å; E703-A705 PolarHBondContact O-N 3.4Å
706	K	79.1	Confident	83.8	Confident	182 Å²	182	101.9 Å²	101.9	79%	0.791	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-28	177.6	-76.2	176.8	-180	-176	0	113.5	R702 E703 K704	R702-K706 WeakPolarHBondContact O-CG 3.17Å; R702-K706 PolarHBondContact O-N 3.42Å; E703-K706 PolarHBondContact O-N 2.97Å; K704-K706 VanDerWaalsContact C-N 3.28Å; K704-K706 PolarHBondContact O-N 3.4Å
707	N	67.4	Low	83	Confident	194 Å²	194	110.4 Å²	110.4	100%	1.037	53%	0.526	S	S	*	.			trans	-90.6	0	177.5	-65.6	-22.6	0	0	0	110.1	E703	E703-N707 PolarHBondContact O-N 2.7Å

Retrieved 707 of 707 residues in 1785.6 ms (Link to these results)

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