G4LWA8_SCHMA Loading...

Vacuolar proton pump subunit B

Non-catalytic subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment.

AlphaFold DB , UniProt , Accession G4LWA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.4	Low	72	Confident	230 Å²	230	119.9 Å²	119.9	100%	1.133	61%	0.61	S	S	*	*				0	119	0	-87.2	-171.7	-102.4	0	0	108.4
2	D	70.1	Confident	71.6	Confident	115 Å²	115	116.3 Å²	116.3	62%	0.615	59%	0.588	S	S	*	*			trans	-64.7	139	179.9	-165.3	-1.9	0	0	0	110.5	K4 A5 A6	D2-K4 PolarHBondContact O-N 3.29Å; D2-K4 VanDerWaalsContact O-N 3.13Å; D2-A5 HydrophobicContact CB-CB 4.48Å; D2-A5 WeakPolarHBondContact O-CB 3.31Å; D2-A5 PolarHBondContact O-N 3.18Å; D2-A6 PolarHBondContact O-N 3.44Å; D2-A6 VanDerWaalsContact O-N 3.09Å
3	R	76	Confident	71	Confident	207 Å²	207	110.6 Å²	110.6	78%	0.781	57%	0.57	S	S	*	*	H	α-helix	trans	-59.1	-30.2	-173.8	-172.2	177.6	177.1	-178.8	-0.1	111.8	N7	R3-N7 WeakPolarHBondContact O-CB 3.39Å; R3-N7 PolarHBondContact O-N 2.92Å
4	K	76.8	Confident	70.2	Confident	169 Å²	169	110.2 Å²	110.2	74%	0.735	58%	0.575	S	S	*	*	H	α-helix	trans	-67.2	-44.4	174.4	-73	-175.9	177.3	179.8	0	112.5	D2 N7 F8	D2-K4 PolarHBondContact O-N 3.29Å; D2-K4 VanDerWaalsContact O-N 3.13Å; K4-N7 PolarHBondContact O-N 3.14Å; K4-F8 PolarHBondContact O-N 3.29Å
5	A	75.6	Confident	69.6	Low	49 Å²	49	108.5 Å²	108.5	41%	0.405	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-42.9	177.6	0	0	0	0	0	111.1	D2 N7 F8 V9	D2-A5 HydrophobicContact CB-CB 4.48Å; D2-A5 WeakPolarHBondContact O-CB 3.31Å; D2-A5 PolarHBondContact O-N 3.18Å; A5-N7 PolarHBondContact O-N 2.65Å; A5-F8 PolarHBondContact O-N 3.33Å; A5-V9 WeakPolarHBondContact O-CG2 3.48Å; A5-V9 PolarHBondContact O-N 3.45Å
6	A	72	Confident	69.2	Low	47 Å²	47	108.4 Å²	108.4	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-61.5	-42.7	175.5	0	0	0	0	0	112.4	D2 H10	D2-A6 PolarHBondContact O-N 3.44Å; D2-A6 VanDerWaalsContact O-N 3.09Å; A6-H10 VanDerWaalsContact O-CB 3.32Å; A6-H10 WeakPolarHBondContact O-CB 3.44Å; A6-H10 PolarHBondContact O-N 2.91Å
7	N	75.4	Confident	68.9	Low	102 Å²	102	111.8 Å²	111.8	55%	0.545	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-38.1	175.3	-83.5	0.6	0	0	0	112.6	R3 K4 A5 H10 S11	R3-N7 WeakPolarHBondContact O-CB 3.39Å; R3-N7 PolarHBondContact O-N 2.92Å; K4-N7 PolarHBondContact O-N 3.14Å; A5-N7 PolarHBondContact O-N 2.65Å; N7-H10 PolarHBondContact O-N 3.49Å; N7-S11 WeakPolarHBondContact O-CB 3.4Å; N7-S11 PolarHBondContact O-N 3.12Å; N7-S11 PolarHBondContact O-OG 3.41Å
8	F	76.8	Confident	69.3	Low	121 Å²	121	114.7 Å²	114.7	53%	0.531	59%	0.588	S	S	.	*	H	α-helix	trans	-64.2	-50	176.9	-177.6	-102.7	0	0	0	111.3	K4 A5 H10 S11 Q12	K4-F8 PolarHBondContact O-N 3.29Å; A5-F8 PolarHBondContact O-N 3.33Å; F8-H10 VanDerWaalsContact C-N 3.3Å; F8-H10 PolarHBondContact O-N 3.31Å; F8-S11 PolarHBondContact O-N 3.39Å; F8-S11 VanDerWaalsContact O-N 3.16Å; F8-S11 PolarHBondContact O-OG 3.02Å; F8-Q12 VanDerWaalsContact CE1-CD 3.48Å; F8-Q12 HydrophobicContact CE1-CG 4.21Å; F8-Q12 HydrophobicContact CZ-CG 4.27Å; F8-Q12 PolarHBondContact O-N 3.17Å
9	V	73.3	Confident	69.8	Low	93 Å²	93	113.9 Å²	113.9	56%	0.564	58%	0.584	S	S	*	*	H	α-helix	trans	-59.6	-41.5	175.7	175.1	0	0	0	0	111	A5 Q12 A13	A5-V9 WeakPolarHBondContact O-CG2 3.48Å; A5-V9 PolarHBondContact O-N 3.45Å; V9-Q12 PolarHBondContact O-N 3.01Å; V9-A13 WeakPolarHBondContact O-CB 3.47Å; V9-A13 PolarHBondContact O-N 3.05Å
10	H	72.2	Confident	70.4	Confident	124 Å²	124	114 Å²	114	57%	0.574	60%	0.595	S	S	*	*	H	α-helix	trans	-64	-44.4	176	-172.9	62.7	0	0	0	112	A6 N7 F8 Q12 A13 V14	A6-H10 VanDerWaalsContact O-CB 3.32Å; A6-H10 WeakPolarHBondContact O-CB 3.44Å; A6-H10 PolarHBondContact O-N 2.91Å; N7-H10 PolarHBondContact O-N 3.49Å; F8-H10 VanDerWaalsContact C-N 3.3Å; F8-H10 PolarHBondContact O-N 3.31Å; H10-Q12 VanDerWaalsContact C-N 3.34Å; H10-Q12 PolarHBondContact O-N 3.33Å; H10-A13 PolarHBondContact O-N 3.39Å; H10-V14 VanDerWaalsContact O-CG2 3.26Å; H10-V14 WeakPolarHBondContact O-CG2 3.34Å; H10-V14 PolarHBondContact O-N 3.02Å
11	S	71.5	Confident	71.1	Confident	62 Å²	62	115.8 Å²	115.8	43%	0.434	60%	0.6	S	S	.	*	H	α-helix	trans	-62.4	-41	177.9	69.7	0	0	0	0	112.3	N7 F8 V14 S15	N7-S11 WeakPolarHBondContact O-CB 3.4Å; N7-S11 PolarHBondContact O-N 3.12Å; N7-S11 PolarHBondContact O-OG 3.41Å; F8-S11 PolarHBondContact O-N 3.39Å; F8-S11 VanDerWaalsContact O-N 3.16Å; F8-S11 PolarHBondContact O-OG 3.02Å; S11-V14 PolarHBondContact O-N 2.69Å; S11-S15 WeakPolarHBondContact O-CB 3.44Å; S11-S15 PolarHBondContact O-N 2.77Å; S11-S15 PolarHBondContact O-OG 3.01Å
12	Q	67.5	Low	72.8	Confident	76 Å²	76	110.5 Å²	110.5	36%	0.355	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-42.7	174.4	-75.7	-169.3	-21.1	0	0	112.3	F8 V9 H10 V14 S15 R16	F8-Q12 VanDerWaalsContact CE1-CD 3.48Å; F8-Q12 HydrophobicContact CE1-CG 4.21Å; F8-Q12 HydrophobicContact CZ-CG 4.27Å; F8-Q12 PolarHBondContact O-N 3.17Å; V9-Q12 PolarHBondContact O-N 3.01Å; H10-Q12 VanDerWaalsContact C-N 3.34Å; H10-Q12 PolarHBondContact O-N 3.33Å; Q12-V14 VanDerWaalsContact C-N 3.29Å; Q12-V14 PolarHBondContact O-N 2.78Å; Q12-S15 WeakPolarHBondContact CA-OG 2.99Å; Q12-S15 PolarHBondContact O-N 2.94Å; Q12-S15 PolarHBondContact O-OG 2.79Å; Q12-R16 VanDerWaalsContact O-CG 3.29Å; Q12-R16 WeakPolarHBondContact O-CG 2.97Å; Q12-R16 PolarHBondContact O-N 3.43Å
13	A	62.9	Low	73.7	Confident	43 Å²	43	111 Å²	111	36%	0.355	58%	0.576	S	S	.	*	H	α-helix	trans	-63.7	-36.3	177.2	0	0	0	0	0	112.1	V9 H10	V9-A13 WeakPolarHBondContact O-CB 3.47Å; V9-A13 PolarHBondContact O-N 3.05Å; H10-A13 PolarHBondContact O-N 3.39Å
14	V	60.8	Low	74.4	Confident	105 Å²	105	105.1 Å²	105.1	64%	0.636	56%	0.56	S	S	*	*	H	α-helix	trans	-73	-33.4	176.1	173.3	0	0	0	0	111.8	H10 S11 Q12	H10-V14 VanDerWaalsContact O-CG2 3.26Å; H10-V14 WeakPolarHBondContact O-CG2 3.34Å; H10-V14 PolarHBondContact O-N 3.02Å; S11-V14 PolarHBondContact O-N 2.69Å; Q12-V14 VanDerWaalsContact C-N 3.29Å; Q12-V14 PolarHBondContact O-N 2.78Å
15	S	60.8	Low	75.2	Confident	85 Å²	85	101.1 Å²	101.1	59%	0.594	55%	0.55	S	S	*	.	H	α-helix	trans	-82.6	-10.4	176.9	63.5	0	0	0	0	114.3	S11 Q12 D17	S11-S15 WeakPolarHBondContact O-CB 3.44Å; S11-S15 PolarHBondContact O-N 2.77Å; S11-S15 PolarHBondContact O-OG 3.01Å; Q12-S15 WeakPolarHBondContact CA-OG 2.99Å; Q12-S15 PolarHBondContact O-N 2.94Å; Q12-S15 PolarHBondContact O-OG 2.79Å; S15-D17 PolarHBondContact O-N 2.99Å
16	R	62.7	Low	76	Confident	106 Å²	106	99.8 Å²	99.8	40%	0.4	53%	0.534	S	S	.	.			trans	-74.3	108.2	178.5	-87.6	173.2	174.7	-175.1	-4.8	109	Q12 Y18 E127 D128	Q12-R16 VanDerWaalsContact O-CG 3.29Å; Q12-R16 WeakPolarHBondContact O-CG 2.97Å; Q12-R16 PolarHBondContact O-N 3.43Å; R16-Y18 HydrophobicContact CB-CE2 3.9Å; R16-Y18 WeakPolarHBondContact O-CD2 3.41Å; R16-Y18 WeakPolarHBondContact O-CE2 3Å; R16-Y18 PolarHBondContact O-N 3.3Å; R16-Y18 VanDerWaalsContact O-N 3.09Å; R16-E127 PolarHBondContact NH2-O 2.97Å; R16-E127 VanDerWaalsContact NH2-O 3.15Å; R16-D128 IonicContact NH2-OD1 3.62Å; R16-D128 PolarHBondContact NH2-OD1 2.86Å
17	D	65	Low	76.9	Confident	166 Å²	166	104 Å²	104	89%	0.888	54%	0.544	S	S	*	.			trans	-67	104.9	172.2	-77.9	-29.4	0	0	0	109.8	S15	S15-D17 PolarHBondContact O-N 2.99Å
18	Y	75.4	Confident	77.6	Confident	164 Å²	164	101.8 Å²	101.8	64%	0.643	53%	0.534	S	S	*	.			trans	-87.2	129.7	174	-66	-81.3	0	0	0	110.7	R16 S20	R16-Y18 HydrophobicContact CB-CE2 3.9Å; R16-Y18 WeakPolarHBondContact O-CD2 3.41Å; R16-Y18 WeakPolarHBondContact O-CE2 3Å; R16-Y18 PolarHBondContact O-N 3.3Å; R16-Y18 VanDerWaalsContact O-N 3.09Å; Y18-S20 PolarHBondContact O-N 3.08Å; Y18-S20 VanDerWaalsContact O-N 3.09Å
19	I	78.9	Confident	78.4	Confident	100 Å²	100	96.5 Å²	96.5	51%	0.513	51%	0.511	S	S	.	.			trans	-76.5	98.6	168.9	-56.3	174.8	0	0	0	108	D96	I19-D96 HydrophobicContact CD1-CB 3.96Å
20	S	82.2	Confident	79.3	Confident	115 Å²	115	95 Å²	95	80%	0.804	51%	0.505	S	S	*	.			trans	-89.1	-10.1	177.2	59.7	0	0	0	0	113.7	Y18	Y18-S20 PolarHBondContact O-N 3.08Å; Y18-S20 VanDerWaalsContact O-N 3.09Å
21	Q	84.3	Confident	80.1	Confident	153 Å²	153	90.1 Å²	90.1	72%	0.715	49%	0.488	S	S	*	.	S	Bend	trans	-69.3	137.8	-179.4	-65.4	-176.5	-5.3	0	0	110.7
22	P	88.2	Confident	81	Confident	119 Å²	119	90.1 Å²	90.1	77%	0.773	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-64.6	140.3	176.1	28.2	-34.1	0	0	0	110
23	R	90.3	Very high	82	Confident	125 Å²	125	91 Å²	91	47%	0.472	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-71.6	142.9	177.3	-68.2	173.5	178.6	172.6	0.9	110.7	E92 F93	R23-E92 HydrophobicContact CB-CG 3.91Å; R23-E92 WeakPolarHBondContact CD-OE1 3.49Å; R23-E92 IonicContact CZ-OE1 3.59Å; R23-E92 IonicContact NE-OE1 3.52Å; R23-E92 IonicContact NH1-OE1 3.73Å; R23-E92 PolarHBondContact NH1-OE1 2.86Å; R23-F93 WeakPolarHBondContact CB-O 3.4Å
24	I	90.6	Very high	83.1	Confident	83 Å²	83	91 Å²	91	43%	0.426	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-94.3	127.8	-179.2	-51.4	174.2	0	0	0	108.7	Y26 F93	I24-Y26 HydrophobicContact CB-CE2 3.82Å; I24-Y26 HydrophobicContact CG2-CD2 4.2Å; I24-Y26 HydrophobicContact CG2-CE1 3.88Å; I24-Y26 HydrophobicContact CG2-CE2 3.53Å; I24-Y26 WeakPolarHBondContact CG2-OH 3.47Å; I24-F93 PolarHBondContact O-N 3.04Å; I24-F93 VanDerWaalsContact O-N 3.14Å
25	T	92.7	Very high	84.5	Confident	86 Å²	86	86.6 Å²	86.6	53%	0.528	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.2	174.8	55.3	0	0	0	0	110.6	V90 C91 E92	T25-V90 HydrophobicContact CG2-CG1 4.39Å; T25-C91 CarbonylContact C-O 3.57Å; T25-C91 WeakPolarHBondContact CA-O 3.43Å; T25-E92 HydrophobicContact CG2-CB 4.01Å; T25-E92 HydrophobicContact CG2-CG 4.01Å
26	Y	92.6	Very high	85.9	Confident	20 Å²	20	83.1 Å²	83.1	8%	0.078	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.5	177.7	-58.5	-89	0	0	0	110.3	I24 D41 V42 K43 C91 F93	I24-Y26 HydrophobicContact CB-CE2 3.82Å; I24-Y26 HydrophobicContact CG2-CD2 4.2Å; I24-Y26 HydrophobicContact CG2-CE1 3.88Å; I24-Y26 HydrophobicContact CG2-CE2 3.53Å; I24-Y26 WeakPolarHBondContact CG2-OH 3.47Å; Y26-D41 WeakPolarHBondContact CE1-O 3.34Å; Y26-V42 HydrophobicContact CD2-CG1 4.46Å; Y26-V42 HydrophobicContact CE1-CG1 4.47Å; Y26-V42 HydrophobicContact CE2-CG1 3.85Å; Y26-K43 WeakPolarHBondContact OH-CB 3.2Å; Y26-K43 PolarHBondContact OH-N 3.27Å; Y26-C91 PolarHBondContact N-O 3.37Å; Y26-C91 PolarHBondContact O-N 2.86Å; Y26-F93 AromaticContact CD2-CD2 3.46Å; Y26-F93 HydrophobicContact CD2-CD2 3.46Å; Y26-F93 VanDerWaalsContact CD2-CD2 3.46Å; Y26-F93 AromaticContact CD2-CE2 3.64Å; Y26-F93 HydrophobicContact CD2-CE2 3.64Å; Y26-F93 HydrophobicContact CD2-CG 4.48Å; Y26-F93 AromaticContact CE2-CD2 3.64Å; Y26-F93 HydrophobicContact CE2-CD2 3.64Å; Y26-F93 HydrophobicContact CE2-CE2 4.04Å; Y26-F93 HydrophobicContact CE2-CG 4.25Å
27	K	91.5	Very high	87.4	Confident	136 Å²	136	78.1 Å²	78.1	59%	0.591	43%	0.427	S	S	*	.			trans	-116.6	24	170.5	-64.9	-169.3	179.3	-167.4	0	111.4	V29 V90	K27-V29 PolarHBondContact O-N 3.37Å; K27-V90 HydrophobicContact CD-CG2 4.24Å; K27-V90 HydrophobicContact CG-CG1 4.31Å; K27-V90 HydrophobicContact CG-CG2 4.06Å
28	T	90.4	Very high	88.7	Confident	55 Å²	55	71.6 Å²	71.6	34%	0.337	39%	0.391	S	S	.	.			trans	-103.1	50.2	-171.6	47.3	0	0	0	0	110.7	S30 L39 D40	T28-S30 PolarHBondContact O-N 3.23Å; T28-L39 WeakPolarHBondContact O-CA 3.3Å; T28-D40 WeakPolarHBondContact CB-O 3.29Å; T28-D40 PolarHBondContact O-N 3.45Å; T28-D40 PolarHBondContact OG1-O 3.46Å
29	V	92.4	Very high	89.6	Confident	10 Å²	10	63.8 Å²	63.8	6%	0.061	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.8	172.4	177.5	0	0	0	0	108	K27 V32 V37 L39	K27-V29 PolarHBondContact O-N 3.37Å; V29-V32 HydrophobicContact CG1-CG2 4.25Å; V29-V37 HydrophobicContact CG1-CG1 3.77Å; V29-V37 HydrophobicContact CG2-CG1 4.22Å; V29-L39 HydrophobicContact CG2-CD2 3.89Å; V29-L39 HydrophobicContact CG2-CG 4.45Å
30	S	91.8	Very high	90.3	Very high	61 Å²	61	61.6 Å²	61.6	43%	0.427	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-27.4	-177.8	60.2	0	0	0	0	113.6	T28 I38 D40	T28-S30 PolarHBondContact O-N 3.23Å; S30-I38 PolarHBondContact N-O 3.28Å; S30-I38 VanDerWaalsContact OG-CG2 3.28Å; S30-I38 WeakPolarHBondContact OG-CG2 3.01Å; S30-I38 PolarHBondContact OG-O 2.97Å; S30-D40 WeakPolarHBondContact CB-OD2 3.48Å; S30-D40 PolarHBondContact OG-OD2 3.21Å
31	G	90.1	Very high	90.8	Very high	22 Å²	22	60.9 Å²	60.9	23%	0.227	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	159.4	178.5	0	0	0	0	0	113.4	I38	G31-I38 PolarHBondContact O-N 3.4Å
32	V	91	Very high	91.1	Very high	63 Å²	63	53.7 Å²	53.7	38%	0.382	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.1	176	-178.3	0	0	0	0	107.3	V29 L36 V37 T81 I84	V29-V32 HydrophobicContact CG1-CG2 4.25Å; V32-L36 WeakPolarHBondContact CA-O 3.31Å; V32-V37 HydrophobicContact CG2-CG2 4.41Å; V32-T81 HydrophobicContact CG1-CG2 3.87Å; V32-I84 HydrophobicContact CG2-CB 4.47Å; V32-I84 HydrophobicContact CG2-CG2 3.88Å
33	N	87.7	Confident	91.3	Very high	93 Å²	93	55.1 Å²	55.1	50%	0.497	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	116.4	179.4	-172.6	13.7	0	0	0	110.4	L36	N33-L36 PolarHBondContact N-O 2.7Å; N33-L36 WeakPolarHBondContact O-CA 3.23Å; N33-L36 WeakPolarHBondContact O-CB 3.25Å; N33-L36 PolarHBondContact O-N 3.47Å
34	G	86.5	Confident	91.3	Very high	43 Å²	43	58.3 Å²	58.3	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-126.5	-175.4	0	0	0	0	0	111.3	L36 T81	G34-L36 VanDerWaalsContact C-N 3.27Å; G34-L36 PolarHBondContact O-N 3.22Å; G34-T81 WeakPolarHBondContact O-CB 3.48Å; G34-T81 WeakPolarHBondContact O-CG2 3.41Å; G34-T81 PolarHBondContact O-OG1 3.29Å
35	P	89	Confident	91.3	Very high	14 Å²	14	55 Å²	55	9%	0.091	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.9	176.7	33.6	-35.6	0	0	0	114.8	V77 I249 A293	P35-V77 PolarHBondContact O-N 3.43Å; P35-I249 HydrophobicContact CB-CD1 4.13Å; P35-I249 HydrophobicContact CB-CG1 4.26Å; P35-A293 HydrophobicContact CG-CB 3.86Å
36	L	91.5	Very high	91.3	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141	-171.7	-51.7	176.1	0	0	0	112.3	V32 N33 G34 L66 I74 V75 Q76 R294	V32-L36 WeakPolarHBondContact CA-O 3.31Å; N33-L36 PolarHBondContact N-O 2.7Å; N33-L36 WeakPolarHBondContact O-CA 3.23Å; N33-L36 WeakPolarHBondContact O-CB 3.25Å; N33-L36 PolarHBondContact O-N 3.47Å; G34-L36 VanDerWaalsContact C-N 3.27Å; G34-L36 PolarHBondContact O-N 3.22Å; L36-L66 HydrophobicContact CD2-CD1 3.86Å; L36-I74 HydrophobicContact CB-CG2 4.3Å; L36-I74 HydrophobicContact CD1-CG2 4.31Å; L36-I74 HydrophobicContact CD2-CG2 4.33Å; L36-V75 CarbonylContact C-O 3.54Å; L36-V75 WeakPolarHBondContact CA-O 3.26Å; L36-Q76 HydrophobicContact CD2-CB 4.04Å; L36-Q76 HydrophobicContact CD2-CG 4.32Å; L36-R294 HydrophobicContact CD1-CG 3.88Å
37	V	93.1	Very high	91.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.2	172.2	177.7	0	0	0	0	108.2	V29 V32 L39 L53 V75 V77 T81 I84	V29-V37 HydrophobicContact CG1-CG1 3.77Å; V29-V37 HydrophobicContact CG2-CG1 4.22Å; V32-V37 HydrophobicContact CG2-CG2 4.41Å; V37-L39 HydrophobicContact CG1-CD1 4.49Å; V37-L53 HydrophobicContact CG1-CD2 4.41Å; V37-L53 HydrophobicContact CG2-CD2 4.23Å; V37-V75 PolarHBondContact N-O 3.41Å; V37-V75 PolarHBondContact O-N 3.31Å; V37-V77 HydrophobicContact CB-CG2 4.32Å; V37-V77 HydrophobicContact CG2-CG2 3.52Å; V37-T81 HydrophobicContact CG2-CG2 4.01Å; V37-I84 HydrophobicContact CG2-CD1 3.77Å; V37-I84 HydrophobicContact CG2-CG2 4.47Å
38	I	93.4	Very high	91.2	Very high	29 Å²	29	57.3 Å²	57.3	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.5	-178.7	-57.8	159.5	0	0	0	108.2	S30 G31 R72	S30-I38 PolarHBondContact N-O 3.28Å; S30-I38 VanDerWaalsContact OG-CG2 3.28Å; S30-I38 WeakPolarHBondContact OG-CG2 3.01Å; S30-I38 PolarHBondContact OG-O 2.97Å; G31-I38 PolarHBondContact O-N 3.4Å; I38-R72 HydrophobicContact CG2-CG 4.02Å
39	L	94.1	Very high	91.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.7	177.4	-73.1	134.5	0	0	0	109.9	T28 V29 V37 V42 R72 A73 V75 C91 F93	T28-L39 WeakPolarHBondContact O-CA 3.3Å; V29-L39 HydrophobicContact CG2-CD2 3.89Å; V29-L39 HydrophobicContact CG2-CG 4.45Å; V37-L39 HydrophobicContact CG1-CD1 4.49Å; L39-V42 HydrophobicContact CB-CG2 3.76Å; L39-R72 CarbonylContact O-C 3.56Å; L39-R72 WeakPolarHBondContact O-CA 3.26Å; L39-A73 PolarHBondContact N-O 2.94Å; L39-A73 PolarHBondContact O-N 3.29Å; L39-V75 HydrophobicContact CD1-CB 4.25Å; L39-V75 HydrophobicContact CD1-CG2 3.56Å; L39-C91 HydrophobicContact CD1-CB 4.25Å; L39-C91 HydrophobicContact CD2-CB 3.78Å; L39-F93 HydrophobicContact CD1-CE2 4.19Å; L39-F93 HydrophobicContact CD1-CZ 4.01Å
40	D	92.8	Very high	91.4	Very high	55 Å²	55	55.6 Å²	55.6	29%	0.294	29%	0.293	S	S	.	.			trans	-109	164	173.3	-72	-43.4	0	0	0	111.1	T28 S30 V42 R72	T28-D40 WeakPolarHBondContact CB-O 3.29Å; T28-D40 PolarHBondContact O-N 3.45Å; T28-D40 PolarHBondContact OG1-O 3.46Å; S30-D40 WeakPolarHBondContact CB-OD2 3.48Å; S30-D40 PolarHBondContact OG-OD2 3.21Å; D40-V42 PolarHBondContact O-N 3.4Å; D40-R72 WeakPolarHBondContact OD1-CB 3.34Å; D40-R72 WeakPolarHBondContact OD1-CD 3.29Å; D40-R72 VanDerWaalsContact OD1-CG 3.26Å; D40-R72 WeakPolarHBondContact OD1-CG 3.17Å
41	D	92	Very high	91.5	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	27%	0.272	S	S	.	.	S	Bend	trans	58	28.4	-179.2	-70.4	-40.9	0	0	0	115.5	Y26 K71	Y26-D41 WeakPolarHBondContact CE1-O 3.34Å; D41-K71 PolarHBondContact N-O 3.18Å
42	V	92.3	Very high	91.7	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	28%	0.279	C	S	.	.			trans	-77.6	131.6	174	-172.3	0	0	0	0	109.8	Y26 L39 D40 P45 K71 A73 F93	Y26-V42 HydrophobicContact CD2-CG1 4.46Å; Y26-V42 HydrophobicContact CE1-CG1 4.47Å; Y26-V42 HydrophobicContact CE2-CG1 3.85Å; L39-V42 HydrophobicContact CB-CG2 3.76Å; D40-V42 PolarHBondContact O-N 3.4Å; V42-P45 HydrophobicContact CB-CB 4.41Å; V42-P45 HydrophobicContact CB-CG 4.18Å; V42-P45 HydrophobicContact CG1-CB 3.76Å; V42-P45 HydrophobicContact CG1-CG 4Å; V42-K71 PolarHBondContact N-O 3.14Å; V42-A73 HydrophobicContact CG2-CB 4.28Å; V42-F93 HydrophobicContact CG1-CD1 4.4Å; V42-F93 HydrophobicContact CG1-CE1 3.96Å; V42-F93 HydrophobicContact CG1-CE2 4.08Å; V42-F93 HydrophobicContact CG1-CZ 3.77Å; V42-F93 HydrophobicContact CG2-CE2 4.21Å; V42-F93 HydrophobicContact CG2-CZ 3.98Å
43	K	91.2	Very high	91.8	Very high	148 Å²	148	53.2 Å²	53.2	64%	0.643	26%	0.261	S	S	*	.	S	Bend	trans	-86.8	115.8	177.8	-61.7	-178.6	-178.9	177.4	0	110	Y26	Y26-K43 WeakPolarHBondContact OH-CB 3.2Å; Y26-K43 PolarHBondContact OH-N 3.27Å
44	F	90.7	Very high	92.1	Very high	192 Å²	192	50.8 Å²	50.8	84%	0.842	25%	0.249	S	C	*	.	S	Bend	trans	49.4	52	175.2	-51.2	-73.1	0	0	0	114.6
45	P	90.7	Very high	92.4	Very high	14 Å²	14	49 Å²	49	9%	0.091	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-61.9	140	176.3	25.5	-30.4	0	0	0	110.6	V42 V68 A73 F93	V42-P45 HydrophobicContact CB-CB 4.41Å; V42-P45 HydrophobicContact CB-CG 4.18Å; V42-P45 HydrophobicContact CG1-CB 3.76Å; V42-P45 HydrophobicContact CG1-CG 4Å; P45-V68 HydrophobicContact CB-CG1 4.43Å; P45-V68 HydrophobicContact CB-CG2 3.83Å; P45-V68 HydrophobicContact CG-CB 4.37Å; P45-V68 HydrophobicContact CG-CG1 3.62Å; P45-V68 HydrophobicContact CG-CG2 3.9Å; P45-A73 HydrophobicContact CB-CB 4Å; P45-A73 HydrophobicContact CG-CB 4.19Å; P45-F93 HydrophobicContact CB-CE1 4.33Å
46	K	91.7	Very high	92.5	Very high	120 Å²	120	51.5 Å²	51.5	52%	0.522	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-97.1	152.1	176.4	-61.3	176.1	-175.1	173.2	0	110.7	E49 V65 G95	K46-E49 HydrophobicContact CB-CB 4.1Å; K46-E49 PolarHBondContact N-OE2 3.02Å; K46-E49 WeakPolarHBondContact O-CB 3.32Å; K46-V65 WeakPolarHBondContact O-CB 3.39Å; K46-V65 WeakPolarHBondContact O-CG1 3.26Å; K46-G95 PolarHBondContact NZ-O 2.92Å
47	F	91.8	Very high	92.4	Very high	137 Å²	137	56.7 Å²	56.7	60%	0.601	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	142.4	169.7	-175	-96.9	0	0	0	110	E49 L66	F47-E49 PolarHBondContact O-N 2.96Å; F47-E49 VanDerWaalsContact O-N 3.12Å; F47-L66 WeakPolarHBondContact CE2-O 3.3Å
48	D	91.1	Very high	92.3	Very high	34 Å²	34	59 Å²	59	18%	0.182	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	15.1	-177.1	-73.8	-21.2	0	0	0	116	Q64 V65 I97	D48-Q64 VanDerWaalsContact CG-NE2 3.28Å; D48-Q64 PolarHBondContact OD1-NE2 3.41Å; D48-V65 WeakPolarHBondContact CA-O 3.47Å; D48-V65 PolarHBondContact N-O 2.77Å; D48-I97 HydrophobicContact CB-CG2 4.22Å
49	E	93.3	Very high	92.2	Very high	11 Å²	11	59.6 Å²	59.6	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.1	177.5	-167.1	178.8	170	0	0	111.3	K46 F47 Q64 V65 F93 G95	K46-E49 HydrophobicContact CB-CB 4.1Å; K46-E49 PolarHBondContact N-OE2 3.02Å; K46-E49 WeakPolarHBondContact O-CB 3.32Å; F47-E49 PolarHBondContact O-N 2.96Å; F47-E49 VanDerWaalsContact O-N 3.12Å; E49-Q64 WeakPolarHBondContact O-CA 3.38Å; E49-V65 HydrophobicContact CB-CB 4.34Å; E49-V65 HydrophobicContact CB-CG2 3.94Å; E49-V65 WeakPolarHBondContact O-CG2 3.38Å; E49-V65 PolarHBondContact O-N 3.3Å; E49-F93 WeakPolarHBondContact OE1-CB 3.39Å; E49-G95 WeakPolarHBondContact OE1-CA 3.35Å; E49-G95 PolarHBondContact OE1-N 3.05Å
50	I	93.5	Very high	92.1	Very high	18 Å²	18	65.2 Å²	65.2	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.9	174.2	-71.2	-60.5	0	0	0	111	G63 Q64 F78 T94 D96 L98	I50-G63 WeakPolarHBondContact CA-O 3.39Å; I50-G63 WeakPolarHBondContact CD1-O 3.38Å; I50-Q64 HydrophobicContact CD1-CB 4.13Å; I50-F78 HydrophobicContact CD1-CE2 4.13Å; I50-F78 HydrophobicContact CD1-CZ 4.16Å; I50-T94 HydrophobicContact CB-CG2 4.44Å; I50-T94 HydrophobicContact CG2-CG2 3.99Å; I50-T94 WeakPolarHBondContact O-CB 3.43Å; I50-T94 WeakPolarHBondContact O-CG2 3.32Å; I50-T94 PolarHBondContact O-N 3.35Å; I50-T94 PolarHBondContact O-OG1 3.15Å; I50-D96 PolarHBondContact N-O 3.37Å; I50-L98 HydrophobicContact CD1-CB 3.77Å; I50-L98 HydrophobicContact CD1-CD1 4.05Å; I50-L98 HydrophobicContact CD1-CD2 4.22Å; I50-L98 HydrophobicContact CD1-CG 4.22Å; I50-L98 HydrophobicContact CG1-CB 3.67Å; I50-L98 HydrophobicContact CG1-CD1 4.01Å; I50-L98 HydrophobicContact CG1-CG 4.34Å
51	V	93.5	Very high	92.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.6	176.9	-175.8	0	0	0	0	109	L53 G63 V65 V75 C91 E92 F93	V51-L53 HydrophobicContact CG1-CD1 4.34Å; V51-L53 HydrophobicContact CG1-CG 4.46Å; V51-G63 PolarHBondContact N-O 3.24Å; V51-G63 PolarHBondContact O-N 3.29Å; V51-V65 HydrophobicContact CG2-CG2 3.83Å; V51-V75 HydrophobicContact CB-CG1 4.07Å; V51-V75 HydrophobicContact CG2-CG1 4.21Å; V51-V75 HydrophobicContact CG2-CG2 3.93Å; V51-C91 HydrophobicContact CG1-CB 3.9Å; V51-E92 CarbonylContact C-O 3.5Å; V51-E92 WeakPolarHBondContact CA-O 3.39Å; V51-F93 HydrophobicContact CG1-CD2 4.3Å; V51-F93 HydrophobicContact CG1-CE2 4.26Å; V51-F93 HydrophobicContact CG2-CD1 3.69Å; V51-F93 HydrophobicContact CG2-CD2 4.36Å; V51-F93 HydrophobicContact CG2-CE1 3.6Å; V51-F93 HydrophobicContact CG2-CE2 4.31Å; V51-F93 HydrophobicContact CG2-CG 4.09Å; V51-F93 HydrophobicContact CG2-CZ 3.95Å
52	R	94.2	Very high	92	Very high	96 Å²	96	61.3 Å²	61.3	36%	0.362	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.8	171	-177.7	-179.2	-71.4	-176.7	-6.3	108.9	E92	R52-E92 HydrophobicContact CB-CB 4.36Å; R52-E92 PolarHBondContact N-O 3.48Å; R52-E92 PolarHBondContact O-N 3.35Å
53	L	93.5	Very high	92	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.2	177.3	-59.4	91.8	0	0	0	109	V37 V51 Q60 R61 V77 I84 V90	V37-L53 HydrophobicContact CG1-CD2 4.41Å; V37-L53 HydrophobicContact CG2-CD2 4.23Å; V51-L53 HydrophobicContact CG1-CD1 4.34Å; V51-L53 HydrophobicContact CG1-CG 4.46Å; L53-Q60 CarbonylContact O-C 3.57Å; L53-Q60 WeakPolarHBondContact O-CA 3.41Å; L53-R61 HydrophobicContact CB-CB 4.31Å; L53-R61 PolarHBondContact N-O 2.71Å; L53-R61 PolarHBondContact O-N 3.08Å; L53-V77 HydrophobicContact CD1-CG1 4.45Å; L53-V77 HydrophobicContact CD1-CG2 4.06Å; L53-V77 HydrophobicContact CD2-CG2 3.8Å; L53-I84 HydrophobicContact CD2-CD1 4.16Å; L53-V90 CarbonylContact C-O 3.52Å; L53-V90 WeakPolarHBondContact CA-O 3.28Å
54	T	94.8	Very high	92.1	Very high	42 Å²	42	55 Å²	55	26%	0.258	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.7	170.6	-53.6	0	0	0	0	108	T89 V90	T54-T89 WeakPolarHBondContact O-CA 3.33Å; T54-V90 PolarHBondContact N-O 3.29Å; T54-V90 PolarHBondContact O-N 3.19Å
55	L	92.6	Very high	92.2	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.245	C	C	.	.			trans	-74.4	168.4	179.9	-80.4	74.7	0	0	0	111	D57 G58 S59 R61 I84	L55-D57 WeakPolarHBondContact CB-OD1 3.43Å; L55-D57 PolarHBondContact O-N 3.49Å; L55-G58 PolarHBondContact O-N 2.82Å; L55-S59 WeakPolarHBondContact CB-OG 3.32Å; L55-S59 PolarHBondContact N-O 3.29Å; L55-R61 HydrophobicContact CD1-CB 4.32Å; L55-R61 HydrophobicContact CD1-CG 3.84Å; L55-I84 HydrophobicContact CD1-CG1 4.26Å; L55-I84 HydrophobicContact CD2-CG1 4.11Å; L55-I84 HydrophobicContact CG-CG1 4.11Å
56	A	90.2	Very high	92.2	Very high	65 Å²	65	46.2 Å²	46.2	54%	0.537	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.5	178	0	0	0	0	0	113.8	G58 N88	A56-G58 VanDerWaalsContact C-N 3.26Å; A56-N88 HydrophobicContact CB-CB 3.96Å
57	D	91	Very high	92.2	Very high	122 Å²	122	44.6 Å²	44.6	65%	0.652	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.1	175.9	66.3	-8	0	0	0	113.3	L55 S59	L55-D57 WeakPolarHBondContact CB-OD1 3.43Å; L55-D57 PolarHBondContact O-N 3.49Å; D57-S59 VanDerWaalsContact C-N 3.32Å; D57-S59 VanDerWaalsContact OD1-CB 3.23Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 2.75Å; D57-S59 PolarHBondContact OD1-OG 3.32Å; D57-S59 PolarHBondContact OD2-OG 3.11Å
58	G	90.3	Very high	92.2	Very high	49 Å²	49	40.7 Å²	40.7	51%	0.505	23%	0.228	S	C	.	.	S	Bend	trans	84.5	-0.6	-175.3	0	0	0	0	0	114.3	L55 A56	L55-G58 PolarHBondContact O-N 2.82Å; A56-G58 VanDerWaalsContact C-N 3.26Å
59	S	91.5	Very high	92.3	Very high	40 Å²	40	43.4 Å²	43.4	28%	0.28	25%	0.249	S	C	.	.			trans	-65.9	137.7	173.7	68.1	0	0	0	0	110.3	L55 D57	L55-S59 WeakPolarHBondContact CB-OG 3.32Å; L55-S59 PolarHBondContact N-O 3.29Å; D57-S59 VanDerWaalsContact C-N 3.32Å; D57-S59 VanDerWaalsContact OD1-CB 3.23Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 2.75Å; D57-S59 PolarHBondContact OD1-OG 3.32Å; D57-S59 PolarHBondContact OD2-OG 3.11Å
60	Q	92	Very high	92.2	Very high	118 Å²	118	46 Å²	46	55%	0.551	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.7	178.3	-66.4	-172	4	0	0	109.9	L53	L53-Q60 CarbonylContact O-C 3.57Å; L53-Q60 WeakPolarHBondContact O-CA 3.41Å
61	R	91.3	Very high	92.2	Very high	38 Å²	38	51.8 Å²	51.8	14%	0.143	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	160.8	173.2	-66.4	-170.5	-176.9	161.1	11.3	110	L53 L55 V77 E79 G80 S82	L53-R61 HydrophobicContact CB-CB 4.31Å; L53-R61 PolarHBondContact N-O 2.71Å; L53-R61 PolarHBondContact O-N 3.08Å; L55-R61 HydrophobicContact CD1-CB 4.32Å; L55-R61 HydrophobicContact CD1-CG 3.84Å; R61-V77 HydrophobicContact CB-CG1 3.85Å; R61-V77 HydrophobicContact CG-CG1 4.45Å; R61-E79 WeakPolarHBondContact CA-OE2 3.34Å; R61-E79 VanDerWaalsContact CB-OE2 3.29Å; R61-E79 WeakPolarHBondContact CB-OE2 3.38Å; R61-E79 HydrophobicContact CG-CB 3.96Å; R61-E79 HydrophobicContact CG-CG 4.41Å; R61-G80 WeakPolarHBondContact CD-O 3.33Å; R61-G80 PolarHBondContact NH1-O 3.29Å; R61-S82 VanDerWaalsContact CZ-O 3.23Å; R61-S82 PolarHBondContact NH1-O 3.26Å; R61-S82 PolarHBondContact NH2-O 2.95Å
62	T	91.8	Very high	92.2	Very high	36 Å²	36	57.2 Å²	57.2	22%	0.221	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148	177.2	45.2	0	0	0	0	109.5	F78 E79	T62-F78 PolarHBondContact O-N 3.42Å; T62-F78 WeakPolarHBondContact OG1-CD2 3.45Å; T62-E79 PolarHBondContact N-OE1 3.36Å; T62-E79 PolarHBondContact N-OE2 3Å; T62-E79 PolarHBondContact OG1-OE1 3.16Å
63	G	91.1	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	167.9	177.2	0	0	0	0	0	112.1	I50 V51 Q76	I50-G63 WeakPolarHBondContact CA-O 3.39Å; I50-G63 WeakPolarHBondContact CD1-O 3.38Å; V51-G63 PolarHBondContact N-O 3.24Å; V51-G63 PolarHBondContact O-N 3.29Å; G63-Q76 CarbonylContact C-O 3.58Å; G63-Q76 WeakPolarHBondContact CA-O 3.32Å
64	Q	92.9	Very high	92.1	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.075	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.9	-177.8	-179.1	175.8	-0.3	0	0	109.6	D48 E49 I50 L66 V75 Q76 F78	D48-Q64 VanDerWaalsContact CG-NE2 3.28Å; D48-Q64 PolarHBondContact OD1-NE2 3.41Å; E49-Q64 WeakPolarHBondContact O-CA 3.38Å; I50-Q64 HydrophobicContact CD1-CB 4.13Å; Q64-L66 PolarHBondContact O-N 2.94Å; Q64-V75 CarbonylContact O-C 3.58Å; Q64-V75 WeakPolarHBondContact O-CA 3.2Å; Q64-Q76 PolarHBondContact N-O 3.42Å; Q64-Q76 PolarHBondContact O-N 3Å; Q64-F78 HydrophobicContact CB-CE1 4.05Å; Q64-F78 HydrophobicContact CB-CZ 3.91Å
65	V	93.7	Very high	92.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.9	172.7	-179.6	0	0	0	0	109.1	K46 D48 E49 V51 V68 A73 V75 F93	K46-V65 WeakPolarHBondContact O-CB 3.39Å; K46-V65 WeakPolarHBondContact O-CG1 3.26Å; D48-V65 WeakPolarHBondContact CA-O 3.47Å; D48-V65 PolarHBondContact N-O 2.77Å; E49-V65 HydrophobicContact CB-CB 4.34Å; E49-V65 HydrophobicContact CB-CG2 3.94Å; E49-V65 WeakPolarHBondContact O-CG2 3.38Å; E49-V65 PolarHBondContact O-N 3.3Å; V51-V65 HydrophobicContact CG2-CG2 3.83Å; V65-V68 HydrophobicContact CG1-CG2 3.6Å; V65-A73 HydrophobicContact CG1-CB 4.49Å; V65-V75 HydrophobicContact CG2-CG2 4Å; V65-F93 HydrophobicContact CG2-CD1 4.44Å; V65-F93 HydrophobicContact CG2-CE1 3.81Å
66	L	90.8	Very high	92	Very high	23 Å²	23	52.2 Å²	52.2	12%	0.12	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-33.5	176.7	-69.6	-175.6	0	0	0	112.9	L36 F47 Q64 I74 Q76 V290	L36-L66 HydrophobicContact CD2-CD1 3.86Å; F47-L66 WeakPolarHBondContact CE2-O 3.3Å; Q64-L66 PolarHBondContact O-N 2.94Å; L66-I74 PolarHBondContact N-O 3.34Å; L66-Q76 HydrophobicContact CD1-CB 3.66Å; L66-Q76 HydrophobicContact CD1-CG 4.32Å; L66-Q76 HydrophobicContact CD2-CB 4.48Å; L66-Q76 HydrophobicContact CG-CB 3.81Å; L66-V290 HydrophobicContact CD1-CG1 4.4Å
67	E	91.3	Very high	92.1	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.9	-175.6	-168.1	178.7	155.7	0	0	110.9	A73 I74	E67-A73 WeakPolarHBondContact O-CA 3.4Å; E67-I74 HydrophobicContact CB-CB 4.19Å; E67-I74 HydrophobicContact CB-CD1 4.16Å; E67-I74 HydrophobicContact CB-CG1 4.34Å; E67-I74 PolarHBondContact N-O 3.24Å; E67-I74 PolarHBondContact O-N 3.14Å
68	V	92.4	Very high	92	Very high	55 Å²	55	43.6 Å²	43.6	33%	0.333	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.9	177.4	169.6	0	0	0	0	108.9	P45 V65	P45-V68 HydrophobicContact CB-CG1 4.43Å; P45-V68 HydrophobicContact CB-CG2 3.83Å; P45-V68 HydrophobicContact CG-CB 4.37Å; P45-V68 HydrophobicContact CG-CG1 3.62Å; P45-V68 HydrophobicContact CG-CG2 3.9Å; V65-V68 HydrophobicContact CG1-CG2 3.6Å
69	C	92.4	Very high	91.9	Very high	90 Å²	90	43.5 Å²	43.5	61%	0.608	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	98.9	173.1	-173.1	0	0	0	0	109.9	K71 R72	C69-K71 PolarHBondContact O-N 2.97Å; C69-R72 PolarHBondContact N-O 3.41Å; C69-R72 WeakPolarHBondContact O-CB 3.43Å; C69-R72 PolarHBondContact O-N 3.18Å
70	G	91.9	Very high	91.6	Very high	67 Å²	67	42.5 Å²	42.5	69%	0.691	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	-106.7	-177.6	0	0	0	0	0	112.3
71	K	92.6	Very high	91.5	Very high	139 Å²	139	38.2 Å²	38.2	60%	0.604	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.1	177.5	-65.1	-176.4	178.9	179.7	0	113.8	D41 V42 C69	D41-K71 PolarHBondContact N-O 3.18Å; V42-K71 PolarHBondContact N-O 3.14Å; C69-K71 PolarHBondContact O-N 2.97Å
72	R	93.1	Very high	91.3	Very high	113 Å²	113	41 Å²	41	43%	0.426	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133	-179.6	-175.8	168.9	175.1	-178.8	-1.3	109.6	I38 L39 D40 C69	I38-R72 HydrophobicContact CG2-CG 4.02Å; L39-R72 CarbonylContact O-C 3.56Å; L39-R72 WeakPolarHBondContact O-CA 3.26Å; D40-R72 WeakPolarHBondContact OD1-CB 3.34Å; D40-R72 WeakPolarHBondContact OD1-CD 3.29Å; D40-R72 VanDerWaalsContact OD1-CG 3.26Å; D40-R72 WeakPolarHBondContact OD1-CG 3.17Å; C69-R72 PolarHBondContact N-O 3.41Å; C69-R72 WeakPolarHBondContact O-CB 3.43Å; C69-R72 PolarHBondContact O-N 3.18Å
73	A	94	Very high	91.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.3	175.9	0	0	0	0	0	109.9	L39 V42 P45 V65 E67 F93	L39-A73 PolarHBondContact N-O 2.94Å; L39-A73 PolarHBondContact O-N 3.29Å; V42-A73 HydrophobicContact CG2-CB 4.28Å; P45-A73 HydrophobicContact CB-CB 4Å; P45-A73 HydrophobicContact CG-CB 4.19Å; V65-A73 HydrophobicContact CG1-CB 4.49Å; E67-A73 WeakPolarHBondContact O-CA 3.4Å; A73-F93 HydrophobicContact CB-CZ 4.35Å
74	I	93.2	Very high	91	Very high	34 Å²	34	43.4 Å²	43.4	17%	0.174	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.2	173.5	-55.9	-178.2	0	0	0	107.3	L36 L66 E67	L36-I74 HydrophobicContact CB-CG2 4.3Å; L36-I74 HydrophobicContact CD1-CG2 4.31Å; L36-I74 HydrophobicContact CD2-CG2 4.33Å; L66-I74 PolarHBondContact N-O 3.34Å; E67-I74 HydrophobicContact CB-CB 4.19Å; E67-I74 HydrophobicContact CB-CD1 4.16Å; E67-I74 HydrophobicContact CB-CG1 4.34Å; E67-I74 PolarHBondContact N-O 3.24Å; E67-I74 PolarHBondContact O-N 3.14Å
75	V	93.7	Very high	90.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.5	-177.9	179.3	0	0	0	0	109.3	L36 V37 L39 V51 Q64 V65 F93	L36-V75 CarbonylContact C-O 3.54Å; L36-V75 WeakPolarHBondContact CA-O 3.26Å; V37-V75 PolarHBondContact N-O 3.41Å; V37-V75 PolarHBondContact O-N 3.31Å; L39-V75 HydrophobicContact CD1-CB 4.25Å; L39-V75 HydrophobicContact CD1-CG2 3.56Å; V51-V75 HydrophobicContact CB-CG1 4.07Å; V51-V75 HydrophobicContact CG2-CG1 4.21Å; V51-V75 HydrophobicContact CG2-CG2 3.93Å; Q64-V75 CarbonylContact O-C 3.58Å; Q64-V75 WeakPolarHBondContact O-CA 3.2Å; V65-V75 HydrophobicContact CG2-CG2 4Å; V75-F93 HydrophobicContact CG2-CZ 4.46Å
76	Q	92	Very high	90.6	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.028	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.5	171	-179.4	179.1	27.7	0	0	110.1	L36 G63 Q64 L66 I249 V290	L36-Q76 HydrophobicContact CD2-CB 4.04Å; L36-Q76 HydrophobicContact CD2-CG 4.32Å; G63-Q76 CarbonylContact C-O 3.58Å; G63-Q76 WeakPolarHBondContact CA-O 3.32Å; Q64-Q76 PolarHBondContact N-O 3.42Å; Q64-Q76 PolarHBondContact O-N 3Å; L66-Q76 HydrophobicContact CD1-CB 3.66Å; L66-Q76 HydrophobicContact CD1-CG 4.32Å; L66-Q76 HydrophobicContact CD2-CB 4.48Å; L66-Q76 HydrophobicContact CG-CB 3.81Å; Q76-I249 HydrophobicContact CG-CG1 4.44Å; Q76-I249 HydrophobicContact CG-CG2 3.91Å; Q76-V290 VanDerWaalsContact NE2-CG1 3.35Å
77	V	92.1	Very high	90.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.5	-179	-173.6	0	0	0	0	110.2	P35 V37 L53 R61 G80 T81 I84	P35-V77 PolarHBondContact O-N 3.43Å; V37-V77 HydrophobicContact CB-CG2 4.32Å; V37-V77 HydrophobicContact CG2-CG2 3.52Å; L53-V77 HydrophobicContact CD1-CG1 4.45Å; L53-V77 HydrophobicContact CD1-CG2 4.06Å; L53-V77 HydrophobicContact CD2-CG2 3.8Å; R61-V77 HydrophobicContact CB-CG1 3.85Å; R61-V77 HydrophobicContact CG-CG1 4.45Å; V77-G80 WeakPolarHBondContact CG1-O 3.48Å; V77-G80 PolarHBondContact O-N 2.93Å; V77-T81 HydrophobicContact CB-CG2 4.37Å; V77-T81 HydrophobicContact CG2-CG2 4.3Å; V77-I84 HydrophobicContact CG2-CD1 4.04Å
78	F	88.2	Confident	90.3	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.022	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-45.4	-176.7	-63.2	-27	0	0	0	112.1	I50 T62 Q64 G80 L98 P247 I249 I253	I50-F78 HydrophobicContact CD1-CE2 4.13Å; I50-F78 HydrophobicContact CD1-CZ 4.16Å; T62-F78 PolarHBondContact O-N 3.42Å; T62-F78 WeakPolarHBondContact OG1-CD2 3.45Å; Q64-F78 HydrophobicContact CB-CE1 4.05Å; Q64-F78 HydrophobicContact CB-CZ 3.91Å; F78-G80 PolarHBondContact O-N 3.08Å; F78-L98 HydrophobicContact CE2-CD2 4.11Å; F78-L98 HydrophobicContact CZ-CD2 4.1Å; F78-P247 WeakPolarHBondContact O-CB 3.28Å; F78-I249 HydrophobicContact CD1-CB 4.45Å; F78-I249 HydrophobicContact CD1-CG2 3.55Å; F78-I249 HydrophobicContact CE1-CG2 4.13Å; F78-I253 HydrophobicContact CD2-CD1 4.14Å; F78-I253 HydrophobicContact CE1-CG2 4.28Å; F78-I253 HydrophobicContact CE2-CD1 4.06Å; F78-I253 HydrophobicContact CZ-CD1 4.33Å; F78-I253 HydrophobicContact CZ-CG2 4.14Å
79	E	87.2	Confident	90.3	Very high	47 Å²	47	51.8 Å²	51.8	22%	0.22	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3.5	-179.1	-56.4	89.4	159.4	0	0	114.2	R61 T62 K116	R61-E79 WeakPolarHBondContact CA-OE2 3.34Å; R61-E79 VanDerWaalsContact CB-OE2 3.29Å; R61-E79 WeakPolarHBondContact CB-OE2 3.38Å; R61-E79 HydrophobicContact CG-CB 3.96Å; R61-E79 HydrophobicContact CG-CG 4.41Å; T62-E79 PolarHBondContact N-OE1 3.36Å; T62-E79 PolarHBondContact N-OE2 3Å; T62-E79 PolarHBondContact OG1-OE1 3.16Å; E79-K116 IonicContact OE1-NZ 3.28Å
80	G	86	Confident	90.4	Very high	19 Å²	19	49.1 Å²	49.1	20%	0.196	29%	0.29	C	S	.	.			trans	87.6	178.7	-175.1	0	0	0	0	0	113.6	R61 V77 F78	R61-G80 WeakPolarHBondContact CD-O 3.33Å; R61-G80 PolarHBondContact NH1-O 3.29Å; V77-G80 WeakPolarHBondContact CG1-O 3.48Å; V77-G80 PolarHBondContact O-N 2.93Å; F78-G80 PolarHBondContact O-N 3.08Å
81	T	89.5	Confident	90.5	Very high	28 Å²	28	45.9 Å²	45.9	17%	0.172	26%	0.257	C	S	.	.	S	Bend	trans	-110.4	1.8	-170.8	56.2	0	0	0	0	114.4	V32 G34 V37 V77 G83 I84	V32-T81 HydrophobicContact CG1-CG2 3.87Å; G34-T81 WeakPolarHBondContact O-CB 3.48Å; G34-T81 WeakPolarHBondContact O-CG2 3.41Å; G34-T81 PolarHBondContact O-OG1 3.29Å; V37-T81 HydrophobicContact CG2-CG2 4.01Å; V77-T81 HydrophobicContact CB-CG2 4.37Å; V77-T81 HydrophobicContact CG2-CG2 4.3Å; T81-G83 PolarHBondContact O-N 3.15Å; T81-I84 HydrophobicContact CG2-CD1 4.19Å; T81-I84 WeakPolarHBondContact O-CB 3.21Å; T81-I84 WeakPolarHBondContact O-CG1 3.3Å; T81-I84 PolarHBondContact O-N 3Å; T81-I84 VanDerWaalsContact O-N 3.08Å
82	S	88.5	Confident	90.6	Very high	98 Å²	98	41.3 Å²	41.3	69%	0.685	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	122.5	179.4	-53.3	0	0	0	0	111.3	R61	R61-S82 VanDerWaalsContact CZ-O 3.23Å; R61-S82 PolarHBondContact NH1-O 3.26Å; R61-S82 PolarHBondContact NH2-O 2.95Å
83	G	87.3	Confident	90.6	Very high	64 Å²	64	36.5 Å²	36.5	66%	0.66	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	2.6	-180	0	0	0	0	0	115.6	T81	T81-G83 PolarHBondContact O-N 3.15Å
84	I	89.2	Confident	90.4	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.108	23%	0.226	C	C	.	.			trans	-73.4	128.6	170.9	-63.9	-177.4	0	0	0	109.2	V32 V37 L53 L55 V77 T81 T89	V32-I84 HydrophobicContact CG2-CB 4.47Å; V32-I84 HydrophobicContact CG2-CG2 3.88Å; V37-I84 HydrophobicContact CG2-CD1 3.77Å; V37-I84 HydrophobicContact CG2-CG2 4.47Å; L53-I84 HydrophobicContact CD2-CD1 4.16Å; L55-I84 HydrophobicContact CD1-CG1 4.26Å; L55-I84 HydrophobicContact CD2-CG1 4.11Å; L55-I84 HydrophobicContact CG-CG1 4.11Å; V77-I84 HydrophobicContact CG2-CD1 4.04Å; T81-I84 HydrophobicContact CG2-CD1 4.19Å; T81-I84 WeakPolarHBondContact O-CB 3.21Å; T81-I84 WeakPolarHBondContact O-CG1 3.3Å; T81-I84 PolarHBondContact O-N 3Å; T81-I84 VanDerWaalsContact O-N 3.08Å; I84-T89 HydrophobicContact CG2-CG2 4.11Å
85	D	88.9	Confident	90.2	Very high	38 Å²	38	36.8 Å²	36.8	20%	0.203	23%	0.227	C	C	.	.			trans	-112.2	146.1	177.8	76.9	-33.2	0	0	0	111.4	K87 N88 T89	D85-K87 PolarHBondContact O-N 3.41Å; D85-N88 PolarHBondContact OD1-N 3.3Å; D85-N88 WeakPolarHBondContact OD2-CA 3.39Å; D85-N88 WeakPolarHBondContact OD2-CB 3.32Å; D85-N88 VanDerWaalsContact OD2-CG 3.25Å; D85-N88 PolarHBondContact OD2-N 3.12Å; D85-N88 PolarHBondContact OD2-ND2 3.39Å; D85-T89 PolarHBondContact N-OG1 3.11Å; D85-T89 VanDerWaalsContact N-OG1 3.17Å; D85-T89 WeakPolarHBondContact O-CB 3.41Å; D85-T89 PolarHBondContact O-OG1 3.06Å; D85-T89 WeakPolarHBondContact OD1-CB 3.32Å; D85-T89 PolarHBondContact OD1-N 3.29Å; D85-T89 PolarHBondContact OD1-OG1 3.11Å
86	A	88.4	Confident	89.9	Confident	58 Å²	58	39 Å²	39	48%	0.479	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.8	-178.1	0	0	0	0	0	113.4
87	K	86.6	Confident	89.9	Confident	172 Å²	172	41.4 Å²	41.4	75%	0.748	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-41.5	-168.1	-168.6	172.8	-179	178.5	0	114.1	D85	D85-K87 PolarHBondContact O-N 3.41Å
88	N	89.9	Confident	89.9	Confident	89 Å²	89	43.1 Å²	43.1	48%	0.476	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-15.2	-173.7	-50.9	-58.5	0	0	0	113.6	A56 D85 V90	A56-N88 HydrophobicContact CB-CB 3.96Å; D85-N88 PolarHBondContact OD1-N 3.3Å; D85-N88 WeakPolarHBondContact OD2-CA 3.39Å; D85-N88 WeakPolarHBondContact OD2-CB 3.32Å; D85-N88 VanDerWaalsContact OD2-CG 3.25Å; D85-N88 PolarHBondContact OD2-N 3.12Å; D85-N88 PolarHBondContact OD2-ND2 3.39Å; N88-V90 WeakPolarHBondContact O-CG2 3.26Å; N88-V90 PolarHBondContact O-N 3.01Å
89	T	92.2	Very high	90	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.281	C	S	.	.			trans	-65.3	130.6	177.6	-62.8	0	0	0	0	110.4	T54 I84 D85	T54-T89 WeakPolarHBondContact O-CA 3.33Å; I84-T89 HydrophobicContact CG2-CG2 4.11Å; D85-T89 PolarHBondContact N-OG1 3.11Å; D85-T89 VanDerWaalsContact N-OG1 3.17Å; D85-T89 WeakPolarHBondContact O-CB 3.41Å; D85-T89 PolarHBondContact O-OG1 3.06Å; D85-T89 WeakPolarHBondContact OD1-CB 3.32Å; D85-T89 PolarHBondContact OD1-N 3.29Å; D85-T89 PolarHBondContact OD1-OG1 3.11Å
90	V	94	Very high	90.3	Very high	33 Å²	33	46.6 Å²	46.6	20%	0.2	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125	-179.6	-168.6	0	0	0	0	109	T25 K27 L53 T54 N88	T25-V90 HydrophobicContact CG2-CG1 4.39Å; K27-V90 HydrophobicContact CD-CG2 4.24Å; K27-V90 HydrophobicContact CG-CG1 4.31Å; K27-V90 HydrophobicContact CG-CG2 4.06Å; L53-V90 CarbonylContact C-O 3.52Å; L53-V90 WeakPolarHBondContact CA-O 3.28Å; T54-V90 PolarHBondContact N-O 3.29Å; T54-V90 PolarHBondContact O-N 3.19Å; N88-V90 WeakPolarHBondContact O-CG2 3.26Å; N88-V90 PolarHBondContact O-N 3.01Å
91	C	93.5	Very high	90.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.4	178.5	-62.1	0	0	0	0	109.7	T25 Y26 L39 V51 F93	T25-C91 CarbonylContact C-O 3.57Å; T25-C91 WeakPolarHBondContact CA-O 3.43Å; Y26-C91 PolarHBondContact N-O 3.37Å; Y26-C91 PolarHBondContact O-N 2.86Å; L39-C91 HydrophobicContact CD1-CB 4.25Å; L39-C91 HydrophobicContact CD2-CB 3.78Å; V51-C91 HydrophobicContact CG1-CB 3.9Å; C91-F93 HydrophobicContact CB-CE2 4.45Å
92	E	94.4	Very high	90.8	Very high	43 Å²	43	46.1 Å²	46.1	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.9	175.2	-174.6	-168.8	154.7	0	0	109.3	R23 T25 V51 R52	R23-E92 HydrophobicContact CB-CG 3.91Å; R23-E92 WeakPolarHBondContact CD-OE1 3.49Å; R23-E92 IonicContact CZ-OE1 3.59Å; R23-E92 IonicContact NE-OE1 3.52Å; R23-E92 IonicContact NH1-OE1 3.73Å; R23-E92 PolarHBondContact NH1-OE1 2.86Å; T25-E92 HydrophobicContact CG2-CB 4.01Å; T25-E92 HydrophobicContact CG2-CG 4.01Å; V51-E92 CarbonylContact C-O 3.5Å; V51-E92 WeakPolarHBondContact CA-O 3.39Å; R52-E92 HydrophobicContact CB-CB 4.36Å; R52-E92 PolarHBondContact N-O 3.48Å; R52-E92 PolarHBondContact O-N 3.35Å
93	F	93.2	Very high	91	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.8	176.6	-79.2	-107.9	0	0	0	109.5	R23 I24 Y26 L39 V42 P45 E49 V51 V65 A73 V75 C91	R23-F93 WeakPolarHBondContact CB-O 3.4Å; I24-F93 PolarHBondContact O-N 3.04Å; I24-F93 VanDerWaalsContact O-N 3.14Å; Y26-F93 AromaticContact CD2-CD2 3.46Å; Y26-F93 HydrophobicContact CD2-CD2 3.46Å; Y26-F93 VanDerWaalsContact CD2-CD2 3.46Å; Y26-F93 AromaticContact CD2-CE2 3.64Å; Y26-F93 HydrophobicContact CD2-CE2 3.64Å; Y26-F93 HydrophobicContact CD2-CG 4.48Å; Y26-F93 AromaticContact CE2-CD2 3.64Å; Y26-F93 HydrophobicContact CE2-CD2 3.64Å; Y26-F93 HydrophobicContact CE2-CE2 4.04Å; Y26-F93 HydrophobicContact CE2-CG 4.25Å; L39-F93 HydrophobicContact CD1-CE2 4.19Å; L39-F93 HydrophobicContact CD1-CZ 4.01Å; V42-F93 HydrophobicContact CG1-CD1 4.4Å; V42-F93 HydrophobicContact CG1-CE1 3.96Å; V42-F93 HydrophobicContact CG1-CE2 4.08Å; V42-F93 HydrophobicContact CG1-CZ 3.77Å; V42-F93 HydrophobicContact CG2-CE2 4.21Å; V42-F93 HydrophobicContact CG2-CZ 3.98Å; P45-F93 HydrophobicContact CB-CE1 4.33Å; E49-F93 WeakPolarHBondContact OE1-CB 3.39Å; V51-F93 HydrophobicContact CG1-CD2 4.3Å; V51-F93 HydrophobicContact CG1-CE2 4.26Å; V51-F93 HydrophobicContact CG2-CD1 3.69Å; V51-F93 HydrophobicContact CG2-CD2 4.36Å; V51-F93 HydrophobicContact CG2-CE1 3.6Å; V51-F93 HydrophobicContact CG2-CE2 4.31Å; V51-F93 HydrophobicContact CG2-CG 4.09Å; V51-F93 HydrophobicContact CG2-CZ 3.95Å; V65-F93 HydrophobicContact CG2-CD1 4.44Å; V65-F93 HydrophobicContact CG2-CE1 3.81Å; A73-F93 HydrophobicContact CB-CZ 4.35Å; V75-F93 HydrophobicContact CG2-CZ 4.46Å; C91-F93 HydrophobicContact CB-CE2 4.45Å
94	T	90.4	Very high	91.2	Very high	21 Å²	21	42.4 Å²	42.4	13%	0.129	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-20.9	-172.5	61.5	0	0	0	0	113.9	I50 D96	I50-T94 HydrophobicContact CB-CG2 4.44Å; I50-T94 HydrophobicContact CG2-CG2 3.99Å; I50-T94 WeakPolarHBondContact O-CB 3.43Å; I50-T94 WeakPolarHBondContact O-CG2 3.32Å; I50-T94 PolarHBondContact O-N 3.35Å; I50-T94 PolarHBondContact O-OG1 3.15Å; T94-D96 VanDerWaalsContact C-N 3.32Å; T94-D96 PolarHBondContact OG1-O 2.89Å
95	G	88.4	Confident	91.3	Very high	19 Å²	19	46.6 Å²	46.6	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.9	-4.9	-177.9	0	0	0	0	0	115	K46 E49	K46-G95 PolarHBondContact NZ-O 2.92Å; E49-G95 WeakPolarHBondContact OE1-CA 3.35Å; E49-G95 PolarHBondContact OE1-N 3.05Å
96	D	89.1	Confident	91.4	Very high	46 Å²	46	44.9 Å²	44.9	25%	0.246	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.3	-172.3	-156.8	9.4	0	0	0	111.7	I19 I50 T94 R99	I19-D96 HydrophobicContact CD1-CB 3.96Å; I50-D96 PolarHBondContact N-O 3.37Å; T94-D96 VanDerWaalsContact C-N 3.32Å; T94-D96 PolarHBondContact OG1-O 2.89Å; D96-R99 IonicContact OD1-CZ 2.8Å; D96-R99 IonicContact OD1-NE 3.43Å; D96-R99 IonicContact OD1-NH2 3.5Å; D96-R99 PolarHBondContact OD1-NH2 3.48Å; D96-R99 IonicContact OD2-CZ 2.73Å; D96-R99 VanDerWaalsContact OD2-CZ 3.28Å; D96-R99 IonicContact OD2-NE 3.5Å; D96-R99 PolarHBondContact OD2-NE 3.22Å; D96-R99 IonicContact OD2-NH2 3.04Å; D96-R99 PolarHBondContact OD2-NH2 3.42Å; D96-R99 VanDerWaalsContact OD2-NH2 3.17Å
97	I	91.6	Very high	91.6	Very high	58 Å²	58	43.3 Å²	43.3	30%	0.297	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	171.6	177.3	60.7	-179.7	0	0	0	111.7	D48 R99 D131	D48-I97 HydrophobicContact CB-CG2 4.22Å; I97-R99 HydrophobicContact CG1-CG 4.5Å; I97-R99 PolarHBondContact O-N 3.42Å; I97-D131 HydrophobicContact CD1-CB 4.02Å; I97-D131 VanDerWaalsContact CD1-CG 3.43Å; I97-D131 VanDerWaalsContact CD1-OD2 3.29Å; I97-D131 WeakPolarHBondContact CD1-OD2 3.39Å
98	L	91.3	Very high	91.7	Very high	36 Å²	36	36.4 Å²	36.4	19%	0.188	20%	0.196	C	C	.	.			trans	-69.4	106.2	179.4	-173.9	49.6	0	0	0	111.2	I50 F78 I132 I253	I50-L98 HydrophobicContact CD1-CB 3.77Å; I50-L98 HydrophobicContact CD1-CD1 4.05Å; I50-L98 HydrophobicContact CD1-CD2 4.22Å; I50-L98 HydrophobicContact CD1-CG 4.22Å; I50-L98 HydrophobicContact CG1-CB 3.67Å; I50-L98 HydrophobicContact CG1-CD1 4.01Å; I50-L98 HydrophobicContact CG1-CG 4.34Å; F78-L98 HydrophobicContact CE2-CD2 4.11Å; F78-L98 HydrophobicContact CZ-CD2 4.1Å; L98-I132 HydrophobicContact CB-CD1 4.12Å; L98-I132 HydrophobicContact CB-CG1 4.08Å; L98-I132 HydrophobicContact CD2-CD1 3.45Å; L98-I132 VanDerWaalsContact CD2-CD1 3.45Å; L98-I132 HydrophobicContact CD2-CG1 4.23Å; L98-I132 HydrophobicContact CG-CD1 3.88Å; L98-I132 HydrophobicContact CG-CG1 4.1Å; L98-I132 HydrophobicContact CG-CG2 4.2Å; L98-I132 PolarHBondContact O-N 2.79Å; L98-I253 HydrophobicContact CD2-CD1 4.44Å; L98-I253 HydrophobicContact CD2-CG2 4.06Å
99	R	91.4	Very high	91.9	Very high	117 Å²	117	34.1 Å²	34.1	44%	0.442	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.7	172.5	-57.5	-175.2	-168.3	-139.7	1.8	111.1	D96 I97 L130	D96-R99 IonicContact OD1-CZ 2.8Å; D96-R99 IonicContact OD1-NE 3.43Å; D96-R99 IonicContact OD1-NH2 3.5Å; D96-R99 PolarHBondContact OD1-NH2 3.48Å; D96-R99 IonicContact OD2-CZ 2.73Å; D96-R99 VanDerWaalsContact OD2-CZ 3.28Å; D96-R99 IonicContact OD2-NE 3.5Å; D96-R99 PolarHBondContact OD2-NE 3.22Å; D96-R99 IonicContact OD2-NH2 3.04Å; D96-R99 PolarHBondContact OD2-NH2 3.42Å; D96-R99 VanDerWaalsContact OD2-NH2 3.17Å; I97-R99 HydrophobicContact CG1-CG 4.5Å; I97-R99 PolarHBondContact O-N 3.42Å; R99-L130 CarbonylContact C-O 3.41Å; R99-L130 WeakPolarHBondContact CA-O 3.38Å
100	T	91.9	Very high	91.9	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.049	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135	173.6	-164.9	0	0	0	0	110	V102 L130 I132 T260	T100-V102 HydrophobicContact CG2-CG1 3.8Å; T100-V102 PolarHBondContact O-N 3.36Å; T100-L130 PolarHBondContact N-O 3.01Å; T100-L130 PolarHBondContact O-N 3.39Å; T100-L130 VanDerWaalsContact O-N 3.12Å; T100-I132 HydrophobicContact CG2-CG2 4.17Å; T100-T260 HydrophobicContact CG2-CG2 3.6Å
101	P	93	Very high	91.9	Very high	37 Å²	37	33 Å²	33	24%	0.24	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.8	168.2	28.5	-32.3	0	0	0	108.8	A126 Y129	P101-A126 HydrophobicContact CB-CB 3.51Å; P101-Y129 HydrophobicContact CB-CD1 4.21Å; P101-Y129 HydrophobicContact CB-CE1 3.84Å
102	V	93.3	Very high	91.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.9	174.8	-63.8	0	0	0	0	110.5	T100 E127 D128 L130 T260 Y264	T100-V102 HydrophobicContact CG2-CG1 3.8Å; T100-V102 PolarHBondContact O-N 3.36Å; V102-E127 PolarHBondContact O-N 2.79Å; V102-D128 HydrophobicContact CG2-CB 4.12Å; V102-D128 WeakPolarHBondContact CG2-O 3.12Å; V102-D128 PolarHBondContact N-O 2.74Å; V102-D128 PolarHBondContact O-N 3.34Å; V102-L130 HydrophobicContact CG1-CD1 4.18Å; V102-L130 HydrophobicContact CG1-CG 4.43Å; V102-L130 HydrophobicContact CG2-CD1 3.75Å; V102-L130 HydrophobicContact CG2-CG 3.75Å; V102-T260 HydrophobicContact CG1-CG2 4.45Å; V102-Y264 HydrophobicContact CB-CD1 3.99Å; V102-Y264 HydrophobicContact CB-CD2 3.98Å; V102-Y264 HydrophobicContact CB-CE1 4.41Å; V102-Y264 HydrophobicContact CB-CE2 4.4Å; V102-Y264 HydrophobicContact CB-CG 3.76Å; V102-Y264 HydrophobicContact CG1-CG 4.38Å; V102-Y264 HydrophobicContact CG2-CD1 4.34Å; V102-Y264 HydrophobicContact CG2-CD2 3.42Å; V102-Y264 VanDerWaalsContact CG2-CD2 3.42Å; V102-Y264 HydrophobicContact CG2-CE2 3.77Å; V102-Y264 HydrophobicContact CG2-CG 3.75Å
103	S	93.2	Very high	91.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.172	C	C	.	.			trans	-161.4	156.7	172.7	172.2	0	0	0	0	108.8	D105 M106 L125 E127	S103-D105 PolarHBondContact O-N 3.39Å; S103-D105 PolarHBondContact OG-N 3.17Å; S103-M106 WeakPolarHBondContact O-CB 3.41Å; S103-M106 WeakPolarHBondContact O-CG 3.45Å; S103-M106 PolarHBondContact O-N 3.11Å; S103-L125 WeakPolarHBondContact CB-O 3.28Å; S103-E127 WeakPolarHBondContact CB-OE1 3.48Å; S103-E127 PolarHBondContact OG-OE1 2.98Å
104	E	91.2	Very high	91.3	Very high	82 Å²	82	33.1 Å²	33.1	38%	0.383	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-61.5	-26.5	171.6	-67.7	-168.4	-166.3	0	0	112.5	M106 L107 E127 Y264 C269	E104-M106 PolarHBondContact O-N 3.13Å; E104-L107 PolarHBondContact O-N 3.4Å; E104-L107 VanDerWaalsContact O-N 3.16Å; E104-E127 PolarHBondContact N-OE1 3.47Å; E104-Y264 HydrophobicContact CG-CE1 4.21Å; E104-C269 HydrophobicContact CG-CB 4.3Å; E104-C269 WeakPolarHBondContact CG-SG 3.49Å; E104-C269 WeakPolarHBondContact OE1-CB 3.47Å; E104-C269 PolarHBondContact OE1-SG 3.31Å
105	D	91.6	Very high	91.2	Very high	109 Å²	109	32.9 Å²	32.9	58%	0.583	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-65.5	-2.2	177.8	-69.6	-13.7	0	0	0	113.8	S103 L107 R109	S103-D105 PolarHBondContact O-N 3.39Å; S103-D105 PolarHBondContact OG-N 3.17Å; D105-L107 VanDerWaalsContact C-N 3.33Å; D105-R109 WeakPolarHBondContact O-CG 3.48Å
106	M	92	Very high	91.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75.3	-21.3	172.7	-67.7	-171.7	63.4	0	0	113.1	S103 E104 R109 F111 I124 F240 T261	S103-M106 WeakPolarHBondContact O-CB 3.41Å; S103-M106 WeakPolarHBondContact O-CG 3.45Å; S103-M106 PolarHBondContact O-N 3.11Å; E104-M106 PolarHBondContact O-N 3.13Å; M106-R109 WeakPolarHBondContact O-CB 3.46Å; M106-R109 PolarHBondContact O-N 3.07Å; M106-F111 HydrophobicContact CB-CE2 4.15Å; M106-F111 HydrophobicContact CB-CZ 4.32Å; M106-F111 HydrophobicContact CE-CD2 4.02Å; M106-F111 HydrophobicContact CE-CE2 3.6Å; M106-F111 HydrophobicContact CE-CZ 3.98Å; M106-F111 HydrophobicContact CG-CE2 4.32Å; M106-F111 HydrophobicContact CG-CZ 4.13Å; M106-I124 HydrophobicContact CE-CD1 3.96Å; M106-I124 HydrophobicContact CG-CD1 3.66Å; M106-I124 HydrophobicContact CG-CG1 4.14Å; M106-I124 HydrophobicContact CG-CG2 4.2Å; M106-I124 HydrophobicContact SD-CD1 3.82Å; M106-F240 HydrophobicContact CE-CE1 4.05Å; M106-F240 HydrophobicContact CE-CZ 3.54Å; M106-T261 HydrophobicContact CB-CG2 4.46Å; M106-T261 HydrophobicContact CE-CG2 3.79Å; M106-T261 HydrophobicContact SD-CG2 3.93Å
107	L	91	Very high	91.5	Very high	26 Å²	26	36.9 Å²	36.9	14%	0.136	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	134.7	173	-64	174.8	0	0	0	109.7	E104 D105 R109 A208 E235 C238 L265 K271	E104-L107 PolarHBondContact O-N 3.4Å; E104-L107 VanDerWaalsContact O-N 3.16Å; D105-L107 VanDerWaalsContact C-N 3.33Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-A208 HydrophobicContact CD2-CB 3.99Å; L107-E235 CarbonylContact C-O 3.5Å; L107-E235 WeakPolarHBondContact CB-O 3.43Å; L107-C238 HydrophobicContact CD2-CB 4.48Å; L107-L265 HydrophobicContact CD1-CD2 4.14Å; L107-L265 HydrophobicContact CD2-CD1 3.77Å; L107-L265 HydrophobicContact CD2-CD2 4.45Å; L107-L265 HydrophobicContact CG-CD1 4.39Å; L107-L265 HydrophobicContact CG-CD2 4.22Å; L107-K271 HydrophobicContact CD1-CD 4.22Å
108	G	89.8	Confident	91.4	Very high	27 Å²	27	38.4 Å²	38.4	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-3.1	-173.3	0	0	0	0	0	115.4	M234 E235 V237	G108-M234 WeakPolarHBondContact CA-O 3.35Å; G108-E235 PolarHBondContact N-O 3.35Å; G108-V237 WeakPolarHBondContact CA-O 3.32Å; G108-V237 PolarHBondContact N-O 3.01Å
109	R	92.8	Very high	91.3	Very high	40 Å²	40	39.2 Å²	39.2	15%	0.151	20%	0.203	C	C	.	.			trans	-105.2	155.4	-174.8	-55.5	-65	-57.4	-80.4	-6.1	112.4	D105 M106 L107 F111 D119 P122 L239	D105-R109 WeakPolarHBondContact O-CG 3.48Å; M106-R109 WeakPolarHBondContact O-CB 3.46Å; M106-R109 PolarHBondContact O-N 3.07Å; L107-R109 VanDerWaalsContact C-N 3.31Å; R109-F111 HydrophobicContact CB-CD2 4.46Å; R109-F111 HydrophobicContact CB-CE1 4.28Å; R109-F111 HydrophobicContact CB-CE2 3.49Å; R109-F111 VanDerWaalsContact CB-CE2 3.49Å; R109-F111 HydrophobicContact CB-CZ 3.36Å; R109-F111 HydrophobicContact CG-CZ 4.11Å; R109-D119 WeakPolarHBondContact CA-OD2 3.37Å; R109-D119 IonicContact CZ-OD1 2.77Å; R109-D119 IonicContact CZ-OD2 3.24Å; R109-D119 IonicContact NE-OD1 3.67Å; R109-D119 IonicContact NE-OD2 3.84Å; R109-D119 PolarHBondContact NE-OD2 2.65Å; R109-D119 IonicContact NH2-OD1 2.79Å; R109-D119 PolarHBondContact NH2-OD1 3.17Å; R109-D119 IonicContact NH2-OD2 3.39Å; R109-P122 PolarHBondContact NH1-O 3.12Å; R109-P122 PolarHBondContact NH2-O 3.22Å; R109-L239 PolarHBondContact O-N 3.2Å; R109-L239 VanDerWaalsContact O-N 3.13Å
110	I	93.5	Very high	91.1	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.7	176.1	-48.7	-177.8	0	0	0	109.3	P117 K118 D119 M225 M234 L239 L241	I110-P117 CarbonylContact O-C 3.51Å; I110-P117 WeakPolarHBondContact O-CA 3.44Å; I110-K118 HydrophobicContact CG2-CB 4.26Å; I110-K118 PolarHBondContact O-N 2.76Å; I110-D119 HydrophobicContact CB-CB 4.16Å; I110-D119 HydrophobicContact CG1-CB 4.42Å; I110-D119 PolarHBondContact N-OD2 2.75Å; I110-D119 VanDerWaalsContact N-OD2 3.14Å; I110-M225 HydrophobicContact CD1-CE 3.62Å; I110-M225 HydrophobicContact CD1-CG 4.39Å; I110-M225 HydrophobicContact CD1-SD 4.35Å; I110-M234 HydrophobicContact CD1-CE 3.8Å; I110-M234 HydrophobicContact CG1-CE 3.54Å; I110-L239 CarbonylContact C-O 3.54Å; I110-L239 WeakPolarHBondContact CA-O 3.39Å; I110-L239 HydrophobicContact CB-CB 4.45Å; I110-L239 HydrophobicContact CD1-CD1 4.18Å; I110-L239 HydrophobicContact CG1-CB 4.29Å; I110-L239 HydrophobicContact CG1-CD1 4.06Å; I110-L239 HydrophobicContact CG2-CB 4.1Å; I110-L241 HydrophobicContact CG2-CD1 3.71Å; I110-L241 HydrophobicContact CG2-CG 4.16Å
111	F	94.3	Very high	91	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	158.5	178.8	-55.7	-76	0	0	0	111.1	M106 R109 K116 P117 I124 L239 F240 L241	M106-F111 HydrophobicContact CB-CE2 4.15Å; M106-F111 HydrophobicContact CB-CZ 4.32Å; M106-F111 HydrophobicContact CE-CD2 4.02Å; M106-F111 HydrophobicContact CE-CE2 3.6Å; M106-F111 HydrophobicContact CE-CZ 3.98Å; M106-F111 HydrophobicContact CG-CE2 4.32Å; M106-F111 HydrophobicContact CG-CZ 4.13Å; R109-F111 HydrophobicContact CB-CD2 4.46Å; R109-F111 HydrophobicContact CB-CE1 4.28Å; R109-F111 HydrophobicContact CB-CE2 3.49Å; R109-F111 VanDerWaalsContact CB-CE2 3.49Å; R109-F111 HydrophobicContact CB-CZ 3.36Å; R109-F111 HydrophobicContact CG-CZ 4.11Å; F111-K116 CarbonylContact C-O 3.39Å; F111-K116 VanDerWaalsContact CA-O 3.29Å; F111-K116 WeakPolarHBondContact CA-O 3.34Å; F111-P117 HydrophobicContact CD1-CB 4.3Å; F111-P117 HydrophobicContact CE1-CB 4.25Å; F111-I124 HydrophobicContact CD1-CD1 4.17Å; F111-I124 HydrophobicContact CE1-CD1 3.26Å; F111-I124 HydrophobicContact CE1-CG1 3.65Å; F111-I124 HydrophobicContact CE2-CD1 4.43Å; F111-I124 HydrophobicContact CZ-CD1 3.43Å; F111-I124 VanDerWaalsContact CZ-CD1 3.43Å; F111-I124 HydrophobicContact CZ-CG1 3.78Å; F111-L239 PolarHBondContact N-O 3.5Å; F111-F240 HydrophobicContact CB-CD1 3.59Å; F111-F240 HydrophobicContact CB-CE1 3.78Å; F111-F240 HydrophobicContact CD2-CD1 4.23Å; F111-F240 AromaticContact CD2-CE1 3.76Å; F111-F240 HydrophobicContact CD2-CE1 3.76Å; F111-F240 HydrophobicContact CD2-CZ 4.11Å; F111-F240 HydrophobicContact CG-CD1 4.24Å; F111-F240 AromaticContact CG-CE1 3.94Å; F111-F240 HydrophobicContact CG-CE1 3.94Å; F111-L241 PolarHBondContact O-N 3.06Å
112	N	92.1	Very high	90.9	Very high	31 Å²	31	47.6 Å²	47.6	17%	0.166	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	178.9	166	75.7	-9.9	0	0	0	111.2	S114 G115 K116 L241	N112-S114 PolarHBondContact O-N 3.41Å; N112-S114 VanDerWaalsContact O-N 3.16Å; N112-S114 PolarHBondContact OD1-N 2.75Å; N112-S114 VanDerWaalsContact OD1-N 3.15Å; N112-G115 PolarHBondContact O-N 3.12Å; N112-G115 PolarHBondContact OD1-N 3.48Å; N112-G115 VanDerWaalsContact OD1-N 3.14Å; N112-K116 PolarHBondContact N-O 3.16Å; N112-K116 WeakPolarHBondContact OD1-CA 3.36Å; N112-K116 WeakPolarHBondContact OD1-CB 3.18Å; N112-K116 PolarHBondContact OD1-N 3.1Å; N112-K116 PolarHBondContact OD1-O 3.35Å; N112-L241 WeakPolarHBondContact CA-O 3.37Å
113	G	88.3	Confident	90.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22	178.8	0	0	0	0	0	115.1	T254 I257	G113-T254 WeakPolarHBondContact CA-OG1 3.45Å; G113-T254 PolarHBondContact O-OG1 3.18Å; G113-I257 WeakPolarHBondContact O-CD1 3.45Å
114	S	87.1	Confident	90.5	Very high	24 Å²	24	52.7 Å²	52.7	17%	0.168	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.4	175.8	-69.2	0	0	0	0	114.2	N112 K116 E250	N112-S114 PolarHBondContact O-N 3.41Å; N112-S114 VanDerWaalsContact O-N 3.16Å; N112-S114 PolarHBondContact OD1-N 2.75Å; N112-S114 VanDerWaalsContact OD1-N 3.15Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-K116 PolarHBondContact O-N 2.61Å; S114-E250 WeakPolarHBondContact OG-CG 3.34Å; S114-E250 PolarHBondContact OG-OE1 3.44Å
115	G	88.4	Confident	90.5	Very high	16 Å²	16	55.6 Å²	55.6	17%	0.165	31%	0.312	C	S	.	.	S	Bend	trans	76.6	11	179.8	0	0	0	0	0	115.5	N112	N112-G115 PolarHBondContact O-N 3.12Å; N112-G115 PolarHBondContact OD1-N 3.48Å; N112-G115 VanDerWaalsContact OD1-N 3.14Å
116	K	90.1	Very high	90.3	Very high	101 Å²	101	51.7 Å²	51.7	44%	0.439	29%	0.294	S	S	.	.			trans	-85.6	138.8	175	-59	174.8	-175	163.6	0	109.8	E79 F111 N112 S114 K118	E79-K116 IonicContact OE1-NZ 3.28Å; F111-K116 CarbonylContact C-O 3.39Å; F111-K116 VanDerWaalsContact CA-O 3.29Å; F111-K116 WeakPolarHBondContact CA-O 3.34Å; N112-K116 PolarHBondContact N-O 3.16Å; N112-K116 WeakPolarHBondContact OD1-CA 3.36Å; N112-K116 WeakPolarHBondContact OD1-CB 3.18Å; N112-K116 PolarHBondContact OD1-N 3.1Å; N112-K116 PolarHBondContact OD1-O 3.35Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-K116 PolarHBondContact O-N 2.61Å; K116-K118 PolarHBondContact O-N 3.5Å
117	P	92.9	Very high	90.2	Very high	48 Å²	48	56 Å²	56	31%	0.312	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-64.8	132.3	-178.5	26.3	-34.2	0	0	0	111.8	I110 F111	I110-P117 CarbonylContact O-C 3.51Å; I110-P117 WeakPolarHBondContact O-CA 3.44Å; F111-P117 HydrophobicContact CD1-CB 4.3Å; F111-P117 HydrophobicContact CE1-CB 4.25Å
118	K	89.4	Confident	90.2	Very high	90 Å²	90	57.2 Å²	57.2	39%	0.391	32%	0.321	S	S	.	.	S	Bend	trans	-105.5	-10.7	178.8	-165.5	170.9	-176	167.6	0	112.5	I110 K116 K120 L243	I110-K118 HydrophobicContact CG2-CB 4.26Å; I110-K118 PolarHBondContact O-N 2.76Å; K116-K118 PolarHBondContact O-N 3.5Å; K118-K120 VanDerWaalsContact C-N 3.31Å; K118-K120 PolarHBondContact O-N 2.83Å; K118-L243 VanDerWaalsContact NZ-CD1 3.28Å
119	D	89.3	Confident	90.2	Very high	53 Å²	53	62.2 Å²	62.2	28%	0.283	33%	0.333	S	S	.	.	S	Bend	trans	-83.2	5	-178.2	56.3	13.6	0	0	0	115.2	R109 I110 G121	R109-D119 WeakPolarHBondContact CA-OD2 3.37Å; R109-D119 IonicContact CZ-OD1 2.77Å; R109-D119 IonicContact CZ-OD2 3.24Å; R109-D119 IonicContact NE-OD1 3.67Å; R109-D119 IonicContact NE-OD2 3.84Å; R109-D119 PolarHBondContact NE-OD2 2.65Å; R109-D119 IonicContact NH2-OD1 2.79Å; R109-D119 PolarHBondContact NH2-OD1 3.17Å; R109-D119 IonicContact NH2-OD2 3.39Å; I110-D119 HydrophobicContact CB-CB 4.16Å; I110-D119 HydrophobicContact CG1-CB 4.42Å; I110-D119 PolarHBondContact N-OD2 2.75Å; I110-D119 VanDerWaalsContact N-OD2 3.14Å; D119-G121 PolarHBondContact O-N 2.84Å; D119-G121 WeakPolarHBondContact OD1-CA 3.18Å; D119-G121 PolarHBondContact OD1-N 3.15Å
120	K	88.3	Confident	90.2	Very high	211 Å²	211	62 Å²	62	92%	0.917	33%	0.334	S	S	*	.	S	Bend	trans	62.4	11.4	-170.5	-51.6	176.2	178.6	176.6	0	114	K118	K118-K120 VanDerWaalsContact C-N 3.31Å; K118-K120 PolarHBondContact O-N 2.83Å
121	G	89.1	Confident	90.2	Very high	27 Å²	27	64 Å²	64	28%	0.278	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-73.8	169.4	169.6	0	0	0	0	0	111.9	D119	D119-G121 PolarHBondContact O-N 2.84Å; D119-G121 WeakPolarHBondContact OD1-CA 3.18Å; D119-G121 PolarHBondContact OD1-N 3.15Å
122	P	91.8	Very high	90.2	Very high	100 Å²	100	64.1 Å²	64.1	65%	0.649	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-65.1	163.3	176.2	29.6	-35.1	0	0	0	111.3	R109	R109-P122 PolarHBondContact NH1-O 3.12Å; R109-P122 PolarHBondContact NH2-O 3.22Å
123	A	89.2	Confident	90.3	Very high	81 Å²	81	66 Å²	66	67%	0.669	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57.6	145.7	166.4	0	0	0	0	0	110.1	L125	A123-L125 PolarHBondContact O-N 3.05Å
124	I	88.8	Confident	90.4	Very high	27 Å²	27	66.7 Å²	66.7	14%	0.138	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.8	134.5	178.1	-57.8	153.3	0	0	0	109	M106 F111 A126	M106-I124 HydrophobicContact CE-CD1 3.96Å; M106-I124 HydrophobicContact CG-CD1 3.66Å; M106-I124 HydrophobicContact CG-CG1 4.14Å; M106-I124 HydrophobicContact CG-CG2 4.2Å; M106-I124 HydrophobicContact SD-CD1 3.82Å; F111-I124 HydrophobicContact CD1-CD1 4.17Å; F111-I124 HydrophobicContact CE1-CD1 3.26Å; F111-I124 HydrophobicContact CE1-CG1 3.65Å; F111-I124 HydrophobicContact CE2-CD1 4.43Å; F111-I124 HydrophobicContact CZ-CD1 3.43Å; F111-I124 VanDerWaalsContact CZ-CD1 3.43Å; F111-I124 HydrophobicContact CZ-CG1 3.78Å; I124-A126 PolarHBondContact O-N 2.87Å
125	L	90.3	Very high	90.6	Very high	144 Å²	144	73.5 Å²	73.5	75%	0.754	39%	0.39	S	S	*	.			trans	-79.7	105.4	165.6	-165.6	96.6	0	0	0	107.7	S103 A123 E127	S103-L125 WeakPolarHBondContact CB-O 3.28Å; A123-L125 PolarHBondContact O-N 3.05Å; L125-E127 PolarHBondContact O-N 2.8Å
126	A	88.8	Confident	90.8	Very high	26 Å²	26	78.9 Å²	78.9	22%	0.215	42%	0.422	C	S	.	.			trans	-69.2	130.6	-176.2	0	0	0	0	0	111.4	P101 I124 Y129	P101-A126 HydrophobicContact CB-CB 3.51Å; I124-A126 PolarHBondContact O-N 2.87Å; A126-Y129 HydrophobicContact CB-CD2 4.39Å; A126-Y129 HydrophobicContact CB-CE1 4.03Å; A126-Y129 HydrophobicContact CB-CE2 3.86Å
127	E	90	Very high	90.9	Very high	92 Å²	92	75.6 Å²	75.6	43%	0.43	41%	0.409	S	S	.	.	S	Bend	trans	-80.8	-39.3	167.1	-69.5	174.3	-133	0	0	110.5	R16 V102 S103 E104 L125 Y264	R16-E127 PolarHBondContact NH2-O 2.97Å; R16-E127 VanDerWaalsContact NH2-O 3.15Å; V102-E127 PolarHBondContact O-N 2.79Å; S103-E127 WeakPolarHBondContact CB-OE1 3.48Å; S103-E127 PolarHBondContact OG-OE1 2.98Å; E104-E127 PolarHBondContact N-OE1 3.47Å; L125-E127 PolarHBondContact O-N 2.8Å; E127-Y264 PolarHBondContact OE1-OH 2.86Å; E127-Y264 PolarHBondContact OE2-OH 2.9Å
128	D	89.2	Confident	91	Very high	52 Å²	52	77.8 Å²	77.8	28%	0.278	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.3	173.5	-152.2	10.8	0	0	0	112.2	R16 V102	R16-D128 IonicContact NH2-OD1 3.62Å; R16-D128 PolarHBondContact NH2-OD1 2.86Å; V102-D128 HydrophobicContact CG2-CB 4.12Å; V102-D128 WeakPolarHBondContact CG2-O 3.12Å; V102-D128 PolarHBondContact N-O 2.74Å; V102-D128 PolarHBondContact O-N 3.34Å
129	Y	90.9	Very high	91.2	Very high	133 Å²	133	78.5 Å²	78.5	52%	0.522	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	104.1	175.2	-73.2	-82.5	0	0	0	109.3	P101 A126	P101-Y129 HydrophobicContact CB-CD1 4.21Å; P101-Y129 HydrophobicContact CB-CE1 3.84Å; A126-Y129 HydrophobicContact CB-CD2 4.39Å; A126-Y129 HydrophobicContact CB-CE1 4.03Å; A126-Y129 HydrophobicContact CB-CE2 3.86Å
130	L	93.1	Very high	91.4	Very high	36 Å²	36	86.6 Å²	86.6	19%	0.188	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.6	-176.3	-61.2	-175.9	0	0	0	111.5	R99 T100 V102 T260 Y264	R99-L130 CarbonylContact C-O 3.41Å; R99-L130 WeakPolarHBondContact CA-O 3.38Å; T100-L130 PolarHBondContact N-O 3.01Å; T100-L130 PolarHBondContact O-N 3.39Å; T100-L130 VanDerWaalsContact O-N 3.12Å; V102-L130 HydrophobicContact CG1-CD1 4.18Å; V102-L130 HydrophobicContact CG1-CG 4.43Å; V102-L130 HydrophobicContact CG2-CD1 3.75Å; V102-L130 HydrophobicContact CG2-CG 3.75Å; L130-T260 HydrophobicContact CB-CG2 3.57Å; L130-T260 HydrophobicContact CD1-CG2 4.19Å; L130-Y264 HydrophobicContact CD1-CD2 4.17Å
131	D	93.8	Very high	91.5	Very high	52 Å²	52	78.6 Å²	78.6	28%	0.278	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.3	172.1	179	7.8	0	0	0	110.5	I97 Q133 G134	I97-D131 HydrophobicContact CD1-CB 4.02Å; I97-D131 VanDerWaalsContact CD1-CG 3.43Å; I97-D131 VanDerWaalsContact CD1-OD2 3.29Å; I97-D131 WeakPolarHBondContact CD1-OD2 3.39Å; D131-Q133 PolarHBondContact O-N 2.7Å; D131-Q133 PolarHBondContact OD1-N 2.64Å; D131-G134 PolarHBondContact O-N 2.97Å; D131-G134 VanDerWaalsContact O-N 3.15Å
132	I	94.1	Very high	91.7	Very high	3 Å²	3	81.4 Å²	81.4	2%	0.015	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.5	-179.2	64.2	155.7	0	0	0	113.3	L98 T100 G134 I253 R256 I257 T260 R317	L98-I132 HydrophobicContact CB-CD1 4.12Å; L98-I132 HydrophobicContact CB-CG1 4.08Å; L98-I132 HydrophobicContact CD2-CD1 3.45Å; L98-I132 VanDerWaalsContact CD2-CD1 3.45Å; L98-I132 HydrophobicContact CD2-CG1 4.23Å; L98-I132 HydrophobicContact CG-CD1 3.88Å; L98-I132 HydrophobicContact CG-CG1 4.1Å; L98-I132 HydrophobicContact CG-CG2 4.2Å; L98-I132 PolarHBondContact O-N 2.79Å; T100-I132 HydrophobicContact CG2-CG2 4.17Å; I132-G134 PolarHBondContact O-N 3.18Å; I132-I253 HydrophobicContact CD1-CB 4.21Å; I132-I253 HydrophobicContact CD1-CG2 3.95Å; I132-R256 HydrophobicContact CB-CB 4.1Å; I132-R256 HydrophobicContact CD1-CB 4.14Å; I132-R256 HydrophobicContact CG1-CB 4.48Å; I132-R256 WeakPolarHBondContact O-CB 3.25Å; I132-I257 HydrophobicContact CG2-CG1 3.89Å; I132-T260 WeakPolarHBondContact CA-OG1 3.35Å; I132-T260 PolarHBondContact O-OG1 3.11Å; I132-R317 PolarHBondContact O-NH1 3.14Å
133	Q	92.8	Very high	91.8	Very high	69 Å²	69	80.1 Å²	80.1	32%	0.322	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.5	176.4	-62.2	-63.7	-2.9	0	0	112.1	D131	D131-Q133 PolarHBondContact O-N 2.7Å; D131-Q133 PolarHBondContact OD1-N 2.64Å
134	G	90.5	Very high	91.9	Very high	15 Å²	15	82 Å²	82	16%	0.155	41%	0.409	C	S	.	.			trans	70.8	-175.4	-177.2	0	0	0	0	0	112.6	D131 I132	D131-G134 PolarHBondContact O-N 2.97Å; D131-G134 VanDerWaalsContact O-N 3.15Å; I132-G134 PolarHBondContact O-N 3.18Å
135	Q	92.2	Very high	92	Very high	167 Å²	167	81.4 Å²	81.4	78%	0.78	41%	0.407	S	S	*	.			trans	-119.6	135.9	174	-67.9	-175.6	-5	0	0	109.6	I137	Q135-I137 PolarHBondContact O-N 2.7Å
136	P	92.5	Very high	91.8	Very high	130 Å²	130	79.4 Å²	79.4	84%	0.844	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63.8	125.8	177.9	26.5	-33.4	0	0	0	110.1	N138	P136-N138 PolarHBondContact O-N 3.44Å
137	I	92	Very high	91.6	Very high	31 Å²	31	79.3 Å²	79.3	16%	0.159	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-72.7	127.7	177.9	-58.2	172.4	0	0	0	108.8	Q135 P139 R142 Y267 V321	Q135-I137 PolarHBondContact O-N 2.7Å; I137-P139 WeakPolarHBondContact O-CD 3.48Å; I137-R142 HydrophobicContact CG2-CG 3.66Å; I137-Y267 HydrophobicContact CD1-CE2 4.05Å; I137-Y267 WeakPolarHBondContact CD1-OH 3.41Å; I137-V321 HydrophobicContact CD1-CG1 4.23Å; I137-V321 HydrophobicContact CG2-CG1 3.73Å
138	N	94.4	Very high	91.6	Very high	94 Å²	94	75.2 Å²	75.2	50%	0.503	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-59.4	123.1	175	-175.2	-18	0	0	0	110.3	P136 W140 S141	P136-N138 PolarHBondContact O-N 3.44Å; N138-W140 PolarHBondContact O-N 2.94Å; N138-W140 PolarHBondContact OD1-N 3.43Å; N138-S141 PolarHBondContact O-N 3.05Å
139	P	93.6	Very high	91.6	Very high	105 Å²	105	73 Å²	73	68%	0.682	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-56.6	-32.5	-179.9	-27.4	35.5	0	0	0	114.3	I137 S141 R142	I137-P139 WeakPolarHBondContact O-CD 3.48Å; P139-S141 VanDerWaalsContact C-N 3.29Å; P139-S141 PolarHBondContact O-N 2.95Å; P139-R142 PolarHBondContact O-N 2.92Å
140	W	93.3	Very high	91.6	Very high	223 Å²	223	68 Å²	68	85%	0.845	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-67.2	-32.2	178.3	-174.7	-92.5	0	0	0	112.5	N138 R142	N138-W140 PolarHBondContact O-N 2.94Å; N138-W140 PolarHBondContact OD1-N 3.43Å; W140-R142 VanDerWaalsContact C-N 3.29Å; W140-R142 PolarHBondContact O-N 3.43Å
141	S	92	Very high	91.5	Very high	44 Å²	44	66.3 Å²	66.3	31%	0.308	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-85.4	2.1	-179.5	-54.8	0	0	0	0	112.9	N138 P139 V321 E322	N138-S141 PolarHBondContact O-N 3.05Å; P139-S141 VanDerWaalsContact C-N 3.29Å; P139-S141 PolarHBondContact O-N 2.95Å; S141-V321 CarbonylContact O-C 3.54Å; S141-V321 WeakPolarHBondContact O-CA 3.41Å; S141-E322 PolarHBondContact O-N 3Å
142	R	93.2	Very high	91.3	Very high	86 Å²	86	63.8 Å²	63.8	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.4	178.7	-71.8	-173.7	174.3	-163.7	-7.4	110.4	I137 P139 W140 E316 R320	I137-R142 HydrophobicContact CG2-CG 3.66Å; P139-R142 PolarHBondContact O-N 2.92Å; W140-R142 VanDerWaalsContact C-N 3.29Å; W140-R142 PolarHBondContact O-N 3.43Å; R142-E316 IonicContact CZ-OE2 3.87Å; R142-E316 IonicContact NH1-OE2 2.77Å; R142-E316 PolarHBondContact NH1-OE2 3.31Å; R142-E316 PolarHBondContact NH2-O 2.74Å; R142-E316 IonicContact NH2-OE2 2.74Å; R142-R320 WeakPolarHBondContact CA-O 3.49Å
143	I	93	Very high	91.4	Very high	72 Å²	72	63.7 Å²	63.7	37%	0.369	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.4	170	-67.8	177	0	0	0	108.7	R320 E322	I143-R320 HydrophobicContact CB-CB 4.14Å; I143-R320 PolarHBondContact N-O 3.35Å; I143-E322 HydrophobicContact CD1-CB 4.13Å; I143-E322 HydrophobicContact CD1-CG 4.36Å; I143-E322 HydrophobicContact CG1-CB 4.08Å
144	Y	92.1	Very high	91.4	Very high	122 Å²	122	60.4 Å²	60.4	48%	0.478	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-69.3	132.3	178	-171	-109.9	0	0	0	111.6	E146 L381 S384	Y144-E146 HydrophobicContact CD1-CG 4.25Å; Y144-E146 PolarHBondContact O-N 3.22Å; Y144-L381 HydrophobicContact CE2-CD2 3.79Å; Y144-L381 VanDerWaalsContact OH-CD2 3.26Å; Y144-L381 WeakPolarHBondContact OH-CD2 3.48Å; Y144-S384 WeakPolarHBondContact CE1-OG 3.49Å; Y144-S384 PolarHBondContact OH-OG 3.11Å
145	P	89.7	Confident	91.6	Very high	14 Å²	14	59.7 Å²	59.7	9%	0.091	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.2	121.9	177.5	-25.8	37.2	0	0	0	113.4	A163 R164 L381	P145-A163 HydrophobicContact CB-CB 3.76Å; P145-R164 WeakPolarHBondContact CB-O 3.35Å; P145-L381 HydrophobicContact CB-CD1 3.92Å; P145-L381 HydrophobicContact CG-CD1 3.84Å
146	E	86.3	Confident	91.7	Very high	102 Å²	102	51.7 Å²	51.7	48%	0.477	26%	0.256	S	S	.	.			trans	-122.8	-20.6	178	-65.3	-177.8	174.3	0	0	113.6	Y144 A385 M390	Y144-E146 HydrophobicContact CD1-CG 4.25Å; Y144-E146 PolarHBondContact O-N 3.22Å; E146-A385 WeakPolarHBondContact O-CA 3.2Å; E146-M390 HydrophobicContact CB-CE 4.02Å
147	E	86	Confident	91.8	Very high	23 Å²	23	45.5 Å²	45.5	11%	0.107	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-87.7	129.8	-174.5	-54.3	-170.7	131.3	0	0	111.1	A163 R164 K197 R320	E147-A163 CarbonylContact O-C 3.41Å; E147-A163 WeakPolarHBondContact O-CA 3.36Å; E147-R164 HydrophobicContact CB-CB 4.11Å; E147-R164 WeakPolarHBondContact O-CB 3.34Å; E147-R164 PolarHBondContact O-N 3.42Å; E147-R164 VanDerWaalsContact OE2-CD 3.26Å; E147-R164 WeakPolarHBondContact OE2-CD 3.45Å; E147-R164 IonicContact OE2-CZ 2.71Å; E147-R164 IonicContact OE2-NE 2.87Å; E147-R164 IonicContact OE2-NH1 3.75Å; E147-R164 PolarHBondContact OE2-NH1 3.41Å; E147-K197 VanDerWaalsContact CD-NZ 3.29Å; E147-K197 WeakPolarHBondContact OE1-CE 3.3Å; E147-K197 IonicContact OE1-NZ 3.88Å; E147-K197 PolarHBondContact OE1-NZ 3.33Å; E147-R320 IonicContact OE2-NH1 3.17Å
148	M	89.5	Confident	91.8	Very high	6 Å²	6	44 Å²	44	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135	175.8	-175	175.4	167.6	0	0	112.1	D157 V192 A385 T391 V453	M148-D157 HydrophobicContact CE-CB 3.71Å; M148-D157 WeakPolarHBondContact CE-O 3.16Å; M148-V192 HydrophobicContact CB-CG2 3.9Å; M148-V192 HydrophobicContact CG-CG2 3.97Å; M148-V192 HydrophobicContact SD-CG2 4.16Å; M148-A385 HydrophobicContact CB-CB 4.05Å; M148-T391 HydrophobicContact CB-CG2 4.45Å; M148-T391 HydrophobicContact SD-CG2 3.38Å; M148-T391 WeakPolarHBondContact SD-CG2 3.28Å; M148-V453 HydrophobicContact CE-CG1 4.2Å; M148-V453 HydrophobicContact CE-CG2 3.63Å; M148-V453 HydrophobicContact SD-CG1 4.47Å; M148-V453 HydrophobicContact SD-CG2 4.27Å
149	I	89.6	Confident	91.8	Very high	5 Å²	5	40 Å²	40	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.3	162.7	-65.7	173.8	0	0	0	107.7	T151 I162 R164 L191 T329	I149-T151 HydrophobicContact CG2-CG2 4.44Å; I149-I162 PolarHBondContact N-O 3.19Å; I149-R164 HydrophobicContact CD1-CB 4.21Å; I149-R164 HydrophobicContact CD1-CG 4.48Å; I149-R164 HydrophobicContact CG1-CB 4.1Å; I149-L191 HydrophobicContact CG1-CD2 4.41Å; I149-T329 HydrophobicContact CD1-CG2 3.81Å; I149-T329 VanDerWaalsContact CD1-OG1 3.31Å; I149-T329 WeakPolarHBondContact CD1-OG1 3.5Å
150	Q	90.2	Very high	91.9	Very high	28 Å²	28	35.3 Å²	35.3	13%	0.131	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.1	167.6	-177.4	-177.7	-43.2	0	0	107.9	D157 A189 G190 V192 R451 V453	Q150-D157 WeakPolarHBondContact CG-OD2 3.31Å; Q150-A189 WeakPolarHBondContact O-CA 3.46Å; Q150-G190 PolarHBondContact N-O 3.45Å; Q150-G190 PolarHBondContact O-N 2.93Å; Q150-V192 HydrophobicContact CB-CG2 4.07Å; Q150-R451 PolarHBondContact NE2-O 3.41Å; Q150-V453 HydrophobicContact CB-CG2 4.17Å; Q150-V453 HydrophobicContact CG-CG2 3.84Å
151	T	90.4	Very high	91.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.115	C	C	.	.			trans	-90.4	-15.4	176.6	63	0	0	0	0	112.5	I149 I153 I156 D157 I162 I185 Q188	I149-T151 HydrophobicContact CG2-CG2 4.44Å; T151-I153 PolarHBondContact O-N 3.33Å; T151-I153 PolarHBondContact OG1-N 3.45Å; T151-I156 HydrophobicContact CG2-CG2 3.99Å; T151-D157 WeakPolarHBondContact CB-OD1 3.35Å; T151-D157 PolarHBondContact N-OD1 2.89Å; T151-D157 PolarHBondContact N-OD2 2.86Å; T151-D157 PolarHBondContact OG1-OD1 3.45Å; T151-I162 HydrophobicContact CG2-CD1 3.93Å; T151-I185 HydrophobicContact CG2-CG2 4.25Å; T151-Q188 WeakPolarHBondContact O-CB 3.47Å; T151-Q188 PolarHBondContact O-OE1 2.99Å
152	G	91	Very high	92	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	83.5	-8.3	-174.6	0	0	0	0	0	113.1	D157 Q445 N450 R451	G152-D157 PolarHBondContact N-OD2 2.94Å; G152-Q445 PolarHBondContact O-NE2 3.31Å; G152-Q445 PolarHBondContact O-OE1 3.04Å; G152-N450 WeakPolarHBondContact CA-OD1 3.45Å; G152-R451 PolarHBondContact O-N 2.91Å
153	I	94.5	Very high	92	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.			trans	-97	114.6	178.5	-63	175.3	0	0	0	108.8	T151 S155 I156 D157 I181 Q184 I185 P370 I372	T151-I153 PolarHBondContact O-N 3.33Å; T151-I153 PolarHBondContact OG1-N 3.45Å; I153-S155 VanDerWaalsContact C-N 3.31Å; I153-S155 WeakPolarHBondContact CG2-OG 3.19Å; I153-S155 PolarHBondContact O-N 3.02Å; I153-I156 HydrophobicContact CB-CB 4.3Å; I153-I156 HydrophobicContact CB-CD1 4.08Å; I153-I156 HydrophobicContact CB-CG1 4.23Å; I153-I156 HydrophobicContact CD1-CD1 3.92Å; I153-I156 HydrophobicContact CG2-CB 4.33Å; I153-I156 HydrophobicContact CG2-CD1 4.06Å; I153-I156 HydrophobicContact CG2-CG1 3.92Å; I153-I156 PolarHBondContact O-N 3.49Å; I153-D157 WeakPolarHBondContact O-CB 3.44Å; I153-D157 PolarHBondContact O-N 3.32Å; I153-I181 HydrophobicContact CD1-CG2 4.01Å; I153-Q184 HydrophobicContact CD1-CB 4.46Å; I153-Q184 HydrophobicContact CD1-CG 4.12Å; I153-Q184 HydrophobicContact CG1-CG 4.2Å; I153-I185 HydrophobicContact CD1-CD1 4.44Å; I153-I185 HydrophobicContact CD1-CG1 3.82Å; I153-P370 HydrophobicContact CG2-CG 3.71Å; I153-I372 HydrophobicContact CG2-CD1 4.13Å
154	S	94.1	Very high	91.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-53.3	-42.6	-177.2	52.9	0	0	0	0	114	I156 V158 F442 Q445	S154-I156 VanDerWaalsContact C-N 3.28Å; S154-I156 PolarHBondContact O-N 2.84Å; S154-V158 WeakPolarHBondContact O-CB 3.3Å; S154-V158 PolarHBondContact O-N 2.87Å; S154-F442 PolarHBondContact OG-O 3.18Å; S154-Q445 PolarHBondContact OG-OE1 2.9Å
155	S	93.7	Very high	91.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-70.7	-22.4	-178.5	58.7	0	0	0	0	113.4	I153 M159 I372	I153-S155 VanDerWaalsContact C-N 3.31Å; I153-S155 WeakPolarHBondContact CG2-OG 3.19Å; I153-S155 PolarHBondContact O-N 3.02Å; S155-M159 WeakPolarHBondContact O-CB 3.5Å; S155-I372 WeakPolarHBondContact OG-CD1 3.32Å
156	I	94.5	Very high	92.1	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-88.4	-52.2	172.3	-61.5	175.6	0	0	0	108.7	T151 I153 S154 V158 N160 S161 I162 I185 I357 I372	T151-I156 HydrophobicContact CG2-CG2 3.99Å; I153-I156 HydrophobicContact CB-CB 4.3Å; I153-I156 HydrophobicContact CB-CD1 4.08Å; I153-I156 HydrophobicContact CB-CG1 4.23Å; I153-I156 HydrophobicContact CD1-CD1 3.92Å; I153-I156 HydrophobicContact CG2-CB 4.33Å; I153-I156 HydrophobicContact CG2-CD1 4.06Å; I153-I156 HydrophobicContact CG2-CG1 3.92Å; I153-I156 PolarHBondContact O-N 3.49Å; S154-I156 VanDerWaalsContact C-N 3.28Å; S154-I156 PolarHBondContact O-N 2.84Å; I156-V158 PolarHBondContact O-N 3.34Å; I156-N160 CarbonylContact O-C 3.52Å; I156-N160 WeakPolarHBondContact O-CA 3.31Å; I156-N160 PolarHBondContact O-N 3.47Å; I156-N160 VanDerWaalsContact O-O 3.13Å; I156-S161 WeakPolarHBondContact O-CA 3.38Å; I156-S161 PolarHBondContact O-N 3.03Å; I156-I162 HydrophobicContact CG2-CD1 3.62Å; I156-I162 HydrophobicContact CG2-CG1 3.79Å; I156-I185 HydrophobicContact CD1-CD1 3.86Å; I156-I185 HydrophobicContact CD1-CG1 4.37Å; I156-I357 HydrophobicContact CD1-CD1 3.81Å; I156-I357 HydrophobicContact CG1-CD1 3.92Å; I156-I357 HydrophobicContact CG2-CD1 4.06Å; I156-I372 HydrophobicContact CD1-CD1 3.95Å; I156-I372 HydrophobicContact CG1-CD1 3.79Å
157	D	94.1	Very high	92.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.9	-42.1	-171.3	-72.5	-9.9	0	0	0	113.1	M148 Q150 T151 G152 I153 S161 H395 V453	M148-D157 HydrophobicContact CE-CB 3.71Å; M148-D157 WeakPolarHBondContact CE-O 3.16Å; Q150-D157 WeakPolarHBondContact CG-OD2 3.31Å; T151-D157 WeakPolarHBondContact CB-OD1 3.35Å; T151-D157 PolarHBondContact N-OD1 2.89Å; T151-D157 PolarHBondContact N-OD2 2.86Å; T151-D157 PolarHBondContact OG1-OD1 3.45Å; G152-D157 PolarHBondContact N-OD2 2.94Å; I153-D157 WeakPolarHBondContact O-CB 3.44Å; I153-D157 PolarHBondContact O-N 3.32Å; D157-S161 WeakPolarHBondContact O-CB 3.42Å; D157-S161 PolarHBondContact O-OG 2.89Å; D157-H395 PolarHBondContact O-CE1 2.77Å; D157-H395 VanDerWaalsContact O-CE1 3.31Å; D157-H395 PolarHBondContact O-NE2 2.83Å; D157-V453 HydrophobicContact CB-CG2 4.26Å
158	V	93.7	Very high	93	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-38.1	-176.8	176.3	0	0	0	0	113.3	S154 I156 M382 H395 S399 L402 F442 S456 L457	S154-V158 WeakPolarHBondContact O-CB 3.3Å; S154-V158 PolarHBondContact O-N 2.87Å; I156-V158 PolarHBondContact O-N 3.34Å; V158-M382 WeakPolarHBondContact O-CE 3.2Å; V158-H395 WeakPolarHBondContact CA-NE2 3.47Å; V158-H395 PolarHBondContact O-NE2 3.08Å; V158-S399 VanDerWaalsContact O-CB 3.26Å; V158-S399 WeakPolarHBondContact O-CB 3.41Å; V158-S399 PolarHBondContact O-OG 3.01Å; V158-L402 HydrophobicContact CG1-CD1 4.46Å; V158-F442 HydrophobicContact CB-CE2 4.4Å; V158-F442 HydrophobicContact CB-CZ 3.76Å; V158-F442 HydrophobicContact CG1-CE2 4.33Å; V158-F442 HydrophobicContact CG1-CZ 3.81Å; V158-F442 HydrophobicContact CG2-CE2 4.49Å; V158-F442 HydrophobicContact CG2-CZ 4.28Å; V158-S456 VanDerWaalsContact CG2-CB 3.41Å; V158-L457 HydrophobicContact CG1-CD2 3.95Å; V158-L457 HydrophobicContact CG2-CD2 4.15Å; V158-L457 HydrophobicContact CG2-CG 4.32Å
159	M	94.5	Very high	93.4	Very high	8 Å²	8	3.1 Å²	3.1	4%	0.039	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-33.2	-174.5	-55.7	-64.6	-61.6	0	0	112.8	S155 V374 M382 L402 Y403 F438 F442	S155-M159 WeakPolarHBondContact O-CB 3.5Å; M159-V374 HydrophobicContact CB-CB 4.48Å; M159-V374 HydrophobicContact CB-CG1 4.15Å; M159-V374 HydrophobicContact CE-CB 4.31Å; M159-V374 HydrophobicContact CE-CG2 4.38Å; M159-V374 HydrophobicContact CG-CB 4.47Å; M159-V374 HydrophobicContact CG-CG1 3.95Å; M159-M382 VanDerWaalsContact O-SD 3.38Å; M159-L402 HydrophobicContact CE-CB 4.23Å; M159-L402 HydrophobicContact SD-CB 3.95Å; M159-L402 HydrophobicContact SD-CD1 4.18Å; M159-Y403 HydrophobicContact CE-CD2 4.22Å; M159-F438 HydrophobicContact SD-CZ 4.44Å; M159-F442 HydrophobicContact CG-CE1 3.85Å; M159-F442 HydrophobicContact CG-CZ 4.24Å; M159-F442 HydrophobicContact SD-CE1 4.26Å; M159-F442 HydrophobicContact SD-CZ 4.36Å
160	N	94.8	Very high	93.7	Very high	7 Å²	7	2.9 Å²	2.9	4%	0.037	2%	0.015	C	C	.	.	S	Bend	trans	-140.5	51.3	-170.9	-64.7	-64.8	0	0	0	111.2	I156 I162 S377 L378 S379	I156-N160 CarbonylContact O-C 3.52Å; I156-N160 WeakPolarHBondContact O-CA 3.31Å; I156-N160 PolarHBondContact O-N 3.47Å; I156-N160 VanDerWaalsContact O-O 3.13Å; N160-I162 PolarHBondContact O-N 3.34Å; N160-S377 VanDerWaalsContact ND2-CB 3.29Å; N160-S377 WeakPolarHBondContact ND2-CB 3.48Å; N160-S377 PolarHBondContact OD1-O 3.47Å; N160-L378 WeakPolarHBondContact OD1-CA 3.48Å; N160-L378 PolarHBondContact OD1-N 3.08Å; N160-S379 PolarHBondContact OD1-N 2.77Å
161	S	93.5	Very high	94.1	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	P	Polyproline II helix	trans	-53.1	135.8	-170.9	-37.6	0	0	0	0	111.8	I156 D157 S379 H395	I156-S161 WeakPolarHBondContact O-CA 3.38Å; I156-S161 PolarHBondContact O-N 3.03Å; D157-S161 WeakPolarHBondContact O-CB 3.42Å; D157-S161 PolarHBondContact O-OG 2.89Å; S161-S379 WeakPolarHBondContact O-CB 3.44Å; S161-S379 PolarHBondContact O-OG 3.16Å; S161-H395 PolarHBondContact OG-CE1 2.79Å; S161-H395 PolarHBondContact OG-NE2 3.21Å
162	I	94	Very high	94.4	Very high	1 Å²	1	1.7 Å²	1.7	1%	0.005	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.1	-177.7	-55.8	179.7	0	0	0	109.4	I149 T151 I156 N160 Q166 I168 T329 I331 I357	I149-I162 PolarHBondContact N-O 3.19Å; T151-I162 HydrophobicContact CG2-CD1 3.93Å; I156-I162 HydrophobicContact CG2-CD1 3.62Å; I156-I162 HydrophobicContact CG2-CG1 3.79Å; N160-I162 PolarHBondContact O-N 3.34Å; I162-Q166 HydrophobicContact CG2-CB 4.3Å; I162-I168 HydrophobicContact CD1-CG2 3.69Å; I162-I168 HydrophobicContact CG1-CD1 4.15Å; I162-I168 HydrophobicContact CG1-CG2 3.93Å; I162-I168 HydrophobicContact CG2-CG2 3.9Å; I162-T329 HydrophobicContact CG2-CG2 4.16Å; I162-I331 HydrophobicContact CD1-CD1 4.26Å; I162-I357 HydrophobicContact CD1-CD1 4.27Å
163	A	92.4	Very high	94.5	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	149.1	171.9	0	0	0	0	0	111.3	P145 E147 G165 Q166 L381 A385	P145-A163 HydrophobicContact CB-CB 3.76Å; E147-A163 CarbonylContact O-C 3.41Å; E147-A163 WeakPolarHBondContact O-CA 3.36Å; A163-G165 PolarHBondContact O-N 3.2Å; A163-Q166 HydrophobicContact CB-CB 4.27Å; A163-Q166 WeakPolarHBondContact O-CB 3.25Å; A163-Q166 PolarHBondContact O-N 3.33Å; A163-L381 HydrophobicContact CB-CB 3.94Å; A163-L381 HydrophobicContact CB-CD1 4.19Å; A163-A385 HydrophobicContact CB-CB 4.13Å
164	R	89.9	Confident	94.5	Very high	3 Å²	3	5.7 Å²	5.7	1%	0.011	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	114	176.9	-177.8	-172.4	170	-157.4	-20.8	110.9	P145 E147 I149 H272 S325 S327	P145-R164 WeakPolarHBondContact CB-O 3.35Å; E147-R164 HydrophobicContact CB-CB 4.11Å; E147-R164 WeakPolarHBondContact O-CB 3.34Å; E147-R164 PolarHBondContact O-N 3.42Å; E147-R164 VanDerWaalsContact OE2-CD 3.26Å; E147-R164 WeakPolarHBondContact OE2-CD 3.45Å; E147-R164 IonicContact OE2-CZ 2.71Å; E147-R164 IonicContact OE2-NE 2.87Å; E147-R164 IonicContact OE2-NH1 3.75Å; E147-R164 PolarHBondContact OE2-NH1 3.41Å; I149-R164 HydrophobicContact CD1-CB 4.21Å; I149-R164 HydrophobicContact CD1-CG 4.48Å; I149-R164 HydrophobicContact CG1-CB 4.1Å; R164-H272 VanDerWaalsContact CZ-CG 3.49Å; R164-H272 PolarHBondContact NH1-NE2 3.35Å; R164-H272 PolarHBondContact NH2-CE1 3.06Å; R164-H272 VanDerWaalsContact NH2-CG 3.31Å; R164-H272 PolarHBondContact NH2-ND1 3.04Å; R164-H272 PolarHBondContact NH2-NE2 3.43Å; R164-S325 PolarHBondContact NH2-O 3.45Å; R164-S327 WeakPolarHBondContact CG-OG 3.31Å; R164-S327 PolarHBondContact NE-OG 3.07Å; R164-S327 PolarHBondContact NH2-OG 3.36Å; R164-S327 VanDerWaalsContact NH2-OG 3.15Å
165	G	92	Very high	94.3	Very high	4 Å²	4	8.9 Å²	8.9	4%	0.041	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-1.2	-170.2	0	0	0	0	0	113.8	A163 G319 I328 T329	A163-G165 PolarHBondContact O-N 3.2Å; G165-G319 WeakPolarHBondContact O-CA 3.37Å; G165-G319 PolarHBondContact O-N 2.98Å; G165-I328 WeakPolarHBondContact CA-O 3.44Å; G165-T329 PolarHBondContact N-OG1 3.26Å
166	Q	94.7	Very high	94.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	7%	0.072	C	C	.	.			trans	-75.5	151.5	178.2	-170.4	169.8	4.8	0	0	111.7	I162 A163 I168 T329 Q330 E354 S379 L381	I162-Q166 HydrophobicContact CG2-CB 4.3Å; A163-Q166 HydrophobicContact CB-CB 4.27Å; A163-Q166 WeakPolarHBondContact O-CB 3.25Å; A163-Q166 PolarHBondContact O-N 3.33Å; Q166-I168 HydrophobicContact CG-CB 4.41Å; Q166-T329 WeakPolarHBondContact O-CG2 3.29Å; Q166-Q330 PolarHBondContact O-N 2.87Å; Q166-E354 HydrophobicContact CG-CB 4.27Å; Q166-E354 WeakPolarHBondContact CG-OE2 3.15Å; Q166-E354 PolarHBondContact NE2-O 3.12Å; Q166-S379 PolarHBondContact NE2-OG 3.13Å; Q166-S379 PolarHBondContact OE1-OG 3.35Å; Q166-L381 HydrophobicContact CB-CD1 3.98Å; Q166-L381 HydrophobicContact CG-CB 4.48Å; Q166-L381 HydrophobicContact CG-CD1 3.84Å; Q166-L381 HydrophobicContact CG-CG 4.25Å
167	K	95.6	Very high	94.4	Very high	9 Å²	9	10 Å²	10	4%	0.039	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-106.9	104.6	167.6	49.3	-180	-173.8	-84.5	0	109.9	Y315 E316 A318 Q330 I352 E354	K167-Y315 WeakPolarHBondContact CD-O 3.49Å; K167-E316 WeakPolarHBondContact CE-OE1 3.38Å; K167-E316 VanDerWaalsContact NZ-CD 3.27Å; K167-E316 IonicContact NZ-OE1 3.75Å; K167-E316 PolarHBondContact NZ-OE1 3.12Å; K167-E316 IonicContact NZ-OE2 3.51Å; K167-E316 PolarHBondContact NZ-OE2 3.22Å; K167-A318 HydrophobicContact CB-CB 4.16Å; K167-Q330 WeakPolarHBondContact CA-O 3.19Å; K167-Q330 HydrophobicContact CB-CB 4.37Å; K167-I352 WeakPolarHBondContact CE-O 3.45Å; K167-E354 HydrophobicContact CG-CG 4.15Å; K167-E354 IonicContact NZ-OE1 3.18Å; K167-E354 PolarHBondContact NZ-OE1 3.46Å; K167-E354 PolarHBondContact O-N 2.83Å; K167-E354 VanDerWaalsContact O-N 3.08Å
168	I	96.1	Very high	94.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.08	C	C	.	.			trans	-130.3	110.9	-177	-171.1	168.9	0	0	0	111.3	I162 Q166 Q330 I331 I357	I162-I168 HydrophobicContact CD1-CG2 3.69Å; I162-I168 HydrophobicContact CG1-CD1 4.15Å; I162-I168 HydrophobicContact CG1-CG2 3.93Å; I162-I168 HydrophobicContact CG2-CG2 3.9Å; Q166-I168 HydrophobicContact CG-CB 4.41Å; I168-Q330 PolarHBondContact N-O 2.96Å; I168-I331 HydrophobicContact CG2-CG1 4.26Å; I168-I331 WeakPolarHBondContact O-CA 3.33Å; I168-I357 HydrophobicContact CD1-CD1 4.06Å; I168-I357 HydrophobicContact CD1-CG1 3.93Å; I168-I357 HydrophobicContact CG1-CD1 4.36Å; I168-I357 HydrophobicContact CG1-CG1 4.26Å
169	P	97.5	Very high	94.3	Very high	0 Å²	0	12 Å²	12	0%	0	9%	0.087	C	C	.	.			trans	-77.5	155.6	-179.3	32.9	-37	0	0	0	112.5	F171 P332 T349 T353 G355 Q356 I357	P169-F171 HydrophobicContact CB-CD1 3.94Å; P169-F171 HydrophobicContact CB-CE1 3.64Å; P169-F171 HydrophobicContact CG-CD1 4.04Å; P169-F171 HydrophobicContact CG-CE1 3.46Å; P169-F171 VanDerWaalsContact CG-CE1 3.46Å; P169-F171 HydrophobicContact CG-CZ 4.24Å; P169-P332 CarbonylContact C-O 2.86Å; P169-P332 WeakPolarHBondContact CA-O 3.32Å; P169-P332 HydrophobicContact CB-CG 3.97Å; P169-P332 WeakPolarHBondContact CB-O 3.5Å; P169-T349 HydrophobicContact CB-CG2 3.92Å; P169-T349 HydrophobicContact CG-CG2 3.97Å; P169-T353 WeakPolarHBondContact CD-OG1 3.32Å; P169-T353 HydrophobicContact CG-CG2 4.34Å; P169-T353 WeakPolarHBondContact CG-OG1 3.4Å; P169-G355 WeakPolarHBondContact CD-O 3.5Å; P169-G355 WeakPolarHBondContact CG-O 3.48Å; P169-Q356 HydrophobicContact CG-CB 3.87Å; P169-Q356 WeakPolarHBondContact O-CA 3.44Å; P169-I357 PolarHBondContact O-N 3.22Å
170	I	97.4	Very high	94.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.4	164	-59.5	176.1	0	0	0	108	I181 I185 I331 P332 I333 L334 I357 V359	I170-I181 HydrophobicContact CD1-CG2 4.37Å; I170-I185 HydrophobicContact CD1-CD1 3.88Å; I170-I331 HydrophobicContact CD1-CG2 3.67Å; I170-I331 HydrophobicContact CG1-CG2 3.79Å; I170-P332 PolarHBondContact N-O 3.46Å; I170-I333 HydrophobicContact CB-CG1 4.3Å; I170-I333 HydrophobicContact CB-CG2 4.38Å; I170-I333 HydrophobicContact CD1-CG1 4.41Å; I170-L334 PolarHBondContact O-N 2.96Å; I170-I357 CarbonylContact C-O 3.56Å; I170-I357 WeakPolarHBondContact CA-O 3.06Å; I170-I357 HydrophobicContact CG1-CB 4.26Å; I170-I357 HydrophobicContact CG1-CD1 4.37Å; I170-V359 HydrophobicContact CG2-CG2 3.62Å
171	F	97.6	Very high	94.2	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113	173.5	-72	10.9	0	0	0	108.2	P169 L334 M336 I341 P346 T349 Q356 I357 Y358 V359	P169-F171 HydrophobicContact CB-CD1 3.94Å; P169-F171 HydrophobicContact CB-CE1 3.64Å; P169-F171 HydrophobicContact CG-CD1 4.04Å; P169-F171 HydrophobicContact CG-CE1 3.46Å; P169-F171 VanDerWaalsContact CG-CE1 3.46Å; P169-F171 HydrophobicContact CG-CZ 4.24Å; F171-L334 HydrophobicContact CB-CD1 4.44Å; F171-L334 HydrophobicContact CD1-CD1 3.8Å; F171-L334 HydrophobicContact CD1-CD2 3.57Å; F171-L334 HydrophobicContact CD1-CG 3.62Å; F171-L334 HydrophobicContact CE1-CD1 4.28Å; F171-L334 HydrophobicContact CE1-CD2 3.36Å; F171-L334 HydrophobicContact CE1-CG 3.99Å; F171-L334 HydrophobicContact CG-CD1 4.11Å; F171-L334 HydrophobicContact CG-CG 4.39Å; F171-L334 HydrophobicContact CZ-CD2 4.24Å; F171-M336 HydrophobicContact CB-CE 4.21Å; F171-M336 HydrophobicContact CB-SD 4.03Å; F171-M336 HydrophobicContact CD2-SD 4.08Å; F171-M336 HydrophobicContact CG-SD 4.34Å; F171-I341 HydrophobicContact CD2-CG1 4.42Å; F171-I341 HydrophobicContact CE2-CG1 4.48Å; F171-P346 HydrophobicContact CD2-CB 3.95Å; F171-P346 HydrophobicContact CE2-CB 3.57Å; F171-P346 HydrophobicContact CZ-CB 3.88Å; F171-P346 WeakPolarHBondContact CZ-O 3.16Å; F171-T349 HydrophobicContact CE1-CG2 3.95Å; F171-T349 HydrophobicContact CZ-CG2 4.38Å; F171-Q356 HydrophobicContact CD1-CB 4.18Å; F171-Q356 HydrophobicContact CD2-CB 4.14Å; F171-Q356 HydrophobicContact CD2-CG 4.11Å; F171-Q356 HydrophobicContact CE1-CB 4.06Å; F171-Q356 HydrophobicContact CE2-CB 4.02Å; F171-Q356 HydrophobicContact CE2-CG 4.03Å; F171-Q356 HydrophobicContact CG-CB 4.22Å; F171-Q356 HydrophobicContact CZ-CB 3.98Å; F171-Q356 HydrophobicContact CZ-CG 4.45Å; F171-I357 PolarHBondContact N-O 2.85Å; F171-Y358 HydrophobicContact CB-CD2 4.29Å; F171-V359 PolarHBondContact O-N 3.44Å
172	S	96.3	Very high	94.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-175.2	179.8	-173.4	0	0	0	0	110.3	H178 L334 T335 M336	S172-H178 VanDerWaalsContact OG-CB 3.27Å; S172-H178 WeakPolarHBondContact OG-CB 3.03Å; S172-H178 VanDerWaalsContact OG-CG 3.24Å; S172-H178 PolarHBondContact OG-ND1 3.31Å; S172-L334 PolarHBondContact N-O 3.34Å; S172-T335 CarbonylContact O-C 3.26Å; S172-M336 WeakPolarHBondContact O-CB 3.39Å; S172-M336 PolarHBondContact O-N 3.48Å
173	A	94.7	Very high	94	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	10%	0.102	C	C	.	.			trans	-140.5	166.5	170.2	0	0	0	0	0	111.3	G175 L176 D339	A173-G175 PolarHBondContact O-N 3.09Å; A173-L176 HydrophobicContact CB-CD1 3.86Å; A173-L176 HydrophobicContact CB-CG 4.28Å; A173-L176 WeakPolarHBondContact O-CB 3Å; A173-L176 PolarHBondContact O-N 3.13Å; A173-L176 VanDerWaalsContact O-N 3.11Å; A173-D339 WeakPolarHBondContact CB-OD1 3.39Å
174	S	92.9	Very high	94	Very high	83 Å²	83	15.4 Å²	15.4	58%	0.58	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	129	179.7	-49.9	0	0	0	0	111.1	R361	S174-R361 PolarHBondContact O-NH1 3.28Å; S174-R361 PolarHBondContact O-NH2 3.23Å
175	G	91.5	Very high	94.1	Very high	67 Å²	67	15.3 Å²	15.3	69%	0.691	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	0.9	-179.8	0	0	0	0	0	115.7	A173	A173-G175 PolarHBondContact O-N 3.09Å
176	L	94.5	Very high	93.9	Very high	9 Å²	9	15.4 Å²	15.4	5%	0.047	10%	0.102	C	C	.	.	S	Bend	trans	-88.7	152.9	173.1	-58.8	-175.4	0	0	0	111.3	A173 H178 V359 R361 H364	A173-L176 HydrophobicContact CB-CD1 3.86Å; A173-L176 HydrophobicContact CB-CG 4.28Å; A173-L176 WeakPolarHBondContact O-CB 3Å; A173-L176 PolarHBondContact O-N 3.13Å; A173-L176 VanDerWaalsContact O-N 3.11Å; L176-H178 PolarHBondContact O-N 2.99Å; L176-H178 PolarHBondContact O-ND1 2.93Å; L176-V359 HydrophobicContact CB-CG1 4.07Å; L176-V359 HydrophobicContact CD1-CG1 4.06Å; L176-V359 WeakPolarHBondContact CD1-O 3.4Å; L176-R361 HydrophobicContact CD1-CB 4.36Å; L176-R361 HydrophobicContact CD2-CB 3.97Å; L176-R361 HydrophobicContact CD2-CG 4.09Å; L176-H364 HydrophobicContact CD2-CB 3.93Å
177	P	94.4	Very high	93.4	Very high	13 Å²	13	17.7 Å²	17.7	8%	0.084	11%	0.11	C	C	.	.	S	Bend	trans	-80.7	48.4	-172.1	34.6	-38.3	0	0	0	113.5	E180 I181 Y369 P371	P177-E180 HydrophobicContact CB-CB 4.32Å; P177-E180 HydrophobicContact CB-CG 4.39Å; P177-E180 WeakPolarHBondContact CB-OE2 3.28Å; P177-E180 PolarHBondContact O-N 3.06Å; P177-I181 VanDerWaalsContact O-CG1 3.31Å; P177-I181 WeakPolarHBondContact O-CG1 3.05Å; P177-I181 PolarHBondContact O-N 3.04Å; P177-Y369 HydrophobicContact CB-CE2 4.41Å; P177-Y369 HydrophobicContact CG-CD2 4.43Å; P177-P371 HydrophobicContact CG-CG 3.7Å
178	H	94.1	Very high	93	Very high	18 Å²	18	18 Å²	18	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-69.3	-33.1	179.6	53	-79	0	0	0	113.1	S172 L176 E180 I181 A182 I333	S172-H178 VanDerWaalsContact OG-CB 3.27Å; S172-H178 WeakPolarHBondContact OG-CB 3.03Å; S172-H178 VanDerWaalsContact OG-CG 3.24Å; S172-H178 PolarHBondContact OG-ND1 3.31Å; L176-H178 PolarHBondContact O-N 2.99Å; L176-H178 PolarHBondContact O-ND1 2.93Å; H178-E180 VanDerWaalsContact C-N 3.33Å; H178-I181 PolarHBondContact O-N 3.13Å; H178-A182 WeakPolarHBondContact O-CB 3.2Å; H178-A182 PolarHBondContact O-N 3.15Å; H178-I333 HydrophobicContact CB-CG2 4.16Å
179	D	92.9	Very high	92.4	Very high	26 Å²	26	18.9 Å²	18.9	14%	0.139	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-41.1	175.7	-67	-31.6	0	0	0	111.3	A182 A183 T220 F223 F224	D179-A182 PolarHBondContact O-N 3.15Å; D179-A183 WeakPolarHBondContact O-CB 3.29Å; D179-A183 PolarHBondContact O-N 2.78Å; D179-T220 HydrophobicContact CB-CG2 4.49Å; D179-T220 WeakPolarHBondContact OD2-CG2 3.41Å; D179-T220 PolarHBondContact OD2-OG1 3.08Å; D179-F223 HydrophobicContact CB-CD1 4.3Å; D179-F223 HydrophobicContact CB-CE1 4.23Å; D179-F224 HydrophobicContact CB-CE2 3.89Å; D179-F224 HydrophobicContact CB-CZ 3.68Å; D179-F224 WeakPolarHBondContact O-CE1 3.47Å
180	E	92.8	Very high	91.6	Very high	87 Å²	87	20 Å²	20	41%	0.407	13%	0.131	S	C	.	.	H	α-helix	trans	-66.4	-41.1	177.5	-63.6	174.3	179.7	0	0	112	P177 H178 A182 A183 Q184 F223 Y369	P177-E180 HydrophobicContact CB-CB 4.32Å; P177-E180 HydrophobicContact CB-CG 4.39Å; P177-E180 WeakPolarHBondContact CB-OE2 3.28Å; P177-E180 PolarHBondContact O-N 3.06Å; H178-E180 VanDerWaalsContact C-N 3.33Å; E180-A182 VanDerWaalsContact C-N 3.35Å; E180-A183 PolarHBondContact O-N 3.19Å; E180-Q184 WeakPolarHBondContact O-CB 3.48Å; E180-Q184 PolarHBondContact O-N 3.27Å; E180-F223 HydrophobicContact CB-CZ 4.34Å; E180-F223 HydrophobicContact CG-CE1 4.41Å; E180-F223 HydrophobicContact CG-CE2 4.38Å; E180-F223 HydrophobicContact CG-CZ 3.83Å; E180-Y369 HydrophobicContact CB-CE2 4.06Å; E180-Y369 PolarHBondContact O-OH 3.26Å; E180-Y369 WeakPolarHBondContact OE2-CE2 3.34Å
181	I	93.8	Very high	90.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-43.9	174.5	-64.8	166.1	0	0	0	110	I153 I170 P177 H178 Q184 I185 V359 P370	I153-I181 HydrophobicContact CD1-CG2 4.01Å; I170-I181 HydrophobicContact CD1-CG2 4.37Å; P177-I181 VanDerWaalsContact O-CG1 3.31Å; P177-I181 WeakPolarHBondContact O-CG1 3.05Å; P177-I181 PolarHBondContact O-N 3.04Å; H178-I181 PolarHBondContact O-N 3.13Å; I181-Q184 WeakPolarHBondContact O-CB 3.39Å; I181-Q184 PolarHBondContact O-N 2.96Å; I181-I185 HydrophobicContact CG2-CD1 3.94Å; I181-I185 HydrophobicContact CG2-CG1 4.47Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.19Å; I181-I185 PolarHBondContact O-N 3.34Å; I181-V359 HydrophobicContact CD1-CG1 4.21Å; I181-V359 HydrophobicContact CD1-CG2 3.87Å; I181-P370 HydrophobicContact CD1-CB 3.92Å; I181-P370 HydrophobicContact CG1-CB 3.82Å
182	A	92.7	Very high	89.5	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-43.8	178.7	0	0	0	0	0	112.2	H178 D179 E180 Q184 I185 C186 F224 I276 I333	H178-A182 WeakPolarHBondContact O-CB 3.2Å; H178-A182 PolarHBondContact O-N 3.15Å; D179-A182 PolarHBondContact O-N 3.15Å; E180-A182 VanDerWaalsContact C-N 3.35Å; A182-Q184 VanDerWaalsContact C-N 3.34Å; A182-I185 PolarHBondContact O-N 3.41Å; A182-C186 PolarHBondContact O-N 3.25Å; A182-F224 HydrophobicContact CB-CE1 4.2Å; A182-F224 HydrophobicContact CB-CZ 4.28Å; A182-I276 HydrophobicContact CB-CD1 4.4Å; A182-I333 HydrophobicContact CB-CD1 3.36Å
183	A	91.2	Very high	88.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-43.2	174.2	0	0	0	0	0	111	D179 E180 I185 C186 R187 F223 F224	D179-A183 WeakPolarHBondContact O-CB 3.29Å; D179-A183 PolarHBondContact O-N 2.78Å; E180-A183 PolarHBondContact O-N 3.19Å; A183-I185 PolarHBondContact O-N 3.28Å; A183-C186 WeakPolarHBondContact O-CB 3.36Å; A183-C186 PolarHBondContact O-N 2.97Å; A183-R187 WeakPolarHBondContact O-CG 3.39Å; A183-R187 PolarHBondContact O-N 3Å; A183-F223 HydrophobicContact CB-CE1 3.78Å; A183-F223 HydrophobicContact CB-CZ 4.06Å; A183-F224 HydrophobicContact CB-CD1 4.33Å; A183-F224 HydrophobicContact CB-CE1 4.09Å
184	Q	92.2	Very high	86.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-47.9	174.4	-178	173.7	0.8	0	0	112.2	I153 E180 I181 A182 C186 R187 Q188 Y369 A447 E449	I153-Q184 HydrophobicContact CD1-CB 4.46Å; I153-Q184 HydrophobicContact CD1-CG 4.12Å; I153-Q184 HydrophobicContact CG1-CG 4.2Å; E180-Q184 WeakPolarHBondContact O-CB 3.48Å; E180-Q184 PolarHBondContact O-N 3.27Å; I181-Q184 WeakPolarHBondContact O-CB 3.39Å; I181-Q184 PolarHBondContact O-N 2.96Å; A182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-C186 VanDerWaalsContact C-N 3.32Å; Q184-C186 PolarHBondContact O-N 2.74Å; Q184-R187 PolarHBondContact O-N 2.82Å; Q184-Q188 HydrophobicContact CG-CG 4.35Å; Q184-Q188 VanDerWaalsContact CG-OE1 3.31Å; Q184-Q188 WeakPolarHBondContact O-CB 3.48Å; Q184-Q188 WeakPolarHBondContact O-CG 3.33Å; Q184-Q188 PolarHBondContact O-N 3.34Å; Q184-Y369 PolarHBondContact OE1-OH 2.74Å; Q184-A447 WeakPolarHBondContact CG-O 3.49Å; Q184-E449 PolarHBondContact NE2-O 3.36Å
185	I	91.1	Very high	84.8	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-45	177	-66.4	166.2	0	0	0	110	T151 I153 I156 I170 I181 A182 A183 R187 Q188 A189 L274 I331	T151-I185 HydrophobicContact CG2-CG2 4.25Å; I153-I185 HydrophobicContact CD1-CD1 4.44Å; I153-I185 HydrophobicContact CD1-CG1 3.82Å; I156-I185 HydrophobicContact CD1-CD1 3.86Å; I156-I185 HydrophobicContact CD1-CG1 4.37Å; I170-I185 HydrophobicContact CD1-CD1 3.88Å; I181-I185 HydrophobicContact CG2-CD1 3.94Å; I181-I185 HydrophobicContact CG2-CG1 4.47Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.19Å; I181-I185 PolarHBondContact O-N 3.34Å; A182-I185 PolarHBondContact O-N 3.41Å; A183-I185 PolarHBondContact O-N 3.28Å; I185-R187 VanDerWaalsContact C-N 3.34Å; I185-R187 PolarHBondContact O-N 3.26Å; I185-Q188 PolarHBondContact O-N 2.71Å; I185-A189 WeakPolarHBondContact O-CA 3.42Å; I185-A189 WeakPolarHBondContact O-CB 3.46Å; I185-A189 PolarHBondContact O-N 3.31Å; I185-L274 HydrophobicContact CG2-CD2 4.33Å; I185-I331 HydrophobicContact CG2-CD1 3.79Å
186	C	87.2	Confident	82.9	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-42	176.7	-81.9	0	0	0	0	113.6	A182 A183 Q184 I209 F228 I276	A182-C186 PolarHBondContact O-N 3.25Å; A183-C186 WeakPolarHBondContact O-CB 3.36Å; A183-C186 PolarHBondContact O-N 2.97Å; Q184-C186 VanDerWaalsContact C-N 3.32Å; Q184-C186 PolarHBondContact O-N 2.74Å; C186-I209 HydrophobicContact CB-CD1 4.05Å; C186-I209 WeakPolarHBondContact O-CD1 3.09Å; C186-F228 HydrophobicContact CB-CE1 3.59Å; C186-F228 HydrophobicContact CB-CZ 4.18Å; C186-I276 WeakPolarHBondContact SG-CD1 3.47Å
187	R	86	Confident	81.1	Confident	47 Å²	47	38.4 Å²	38.4	18%	0.177	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-36.5	-179.4	-68.3	-176.9	-57.3	-100	9.8	112.7	A183 Q184 I185 D227 N231 A447	A183-R187 WeakPolarHBondContact O-CG 3.39Å; A183-R187 PolarHBondContact O-N 3Å; Q184-R187 PolarHBondContact O-N 2.82Å; I185-R187 VanDerWaalsContact C-N 3.34Å; I185-R187 PolarHBondContact O-N 3.26Å; R187-D227 IonicContact CZ-OD1 2.96Å; R187-D227 IonicContact CZ-OD2 2.74Å; R187-D227 IonicContact NH1-OD1 3.9Å; R187-D227 PolarHBondContact NH1-OD1 2.93Å; R187-D227 IonicContact NH1-OD2 3.89Å; R187-D227 PolarHBondContact NH1-OD2 3.41Å; R187-N231 WeakPolarHBondContact CD-ND2 3.23Å; R187-N231 WeakPolarHBondContact CD-OD1 3.45Å; R187-N231 HydrophobicContact CG-CB 4.29Å; R187-A447 PolarHBondContact NH2-O 3.35Å
188	Q	86.9	Confident	78.9	Confident	17 Å²	17	40.1 Å²	40.1	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-104.8	-12.8	-166.8	-63.9	179.5	-7.1	0	0	113.2	T151 Q184 I185 G190 E449 N450	T151-Q188 WeakPolarHBondContact O-CB 3.47Å; T151-Q188 PolarHBondContact O-OE1 2.99Å; Q184-Q188 HydrophobicContact CG-CG 4.35Å; Q184-Q188 VanDerWaalsContact CG-OE1 3.31Å; Q184-Q188 WeakPolarHBondContact O-CB 3.48Å; Q184-Q188 WeakPolarHBondContact O-CG 3.33Å; Q184-Q188 PolarHBondContact O-N 3.34Å; I185-Q188 PolarHBondContact O-N 2.71Å; Q188-G190 PolarHBondContact O-N 3.32Å; Q188-E449 VanDerWaalsContact NE2-C 3.35Å; Q188-E449 PolarHBondContact NE2-O 3.49Å; Q188-E449 PolarHBondContact OE1-O 3.28Å; Q188-N450 HydrophobicContact CG-CB 4.12Å
189	A	83.8	Confident	76.8	Confident	17 Å²	17	44.2 Å²	44.2	14%	0.14	26%	0.262	C	S	.	.			trans	-55.9	121.3	179.1	0	0	0	0	0	111	Q150 I185 F207 L274	Q150-A189 WeakPolarHBondContact O-CA 3.46Å; I185-A189 WeakPolarHBondContact O-CA 3.42Å; I185-A189 WeakPolarHBondContact O-CB 3.46Å; I185-A189 PolarHBondContact O-N 3.31Å; A189-F207 HydrophobicContact CB-CE1 3.96Å; A189-F207 HydrophobicContact CB-CZ 3.96Å; A189-L274 HydrophobicContact CB-CD2 3.93Å
190	G	79.9	Confident	74.8	Confident	25 Å²	25	47.2 Å²	47.2	26%	0.258	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.9	173.4	0	0	0	0	0	110.5	Q150 Q188	Q150-G190 PolarHBondContact N-O 3.45Å; Q150-G190 PolarHBondContact O-N 2.93Å; Q188-G190 PolarHBondContact O-N 3.32Å
191	L	78.2	Confident	73	Confident	28 Å²	28	45.3 Å²	45.3	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.5	169.6	-67.9	173	0	0	0	110.1	I149 K193 D201	I149-L191 HydrophobicContact CG1-CD2 4.41Å; L191-K193 PolarHBondContact O-N 3Å; L191-K193 VanDerWaalsContact O-N 3.08Å; L191-D201 WeakPolarHBondContact CD1-O 3.37Å
192	V	72	Confident	71.2	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.048	30%	0.296	C	S	.	.			trans	-59	116.6	173.5	179.9	0	0	0	0	108.7	M148 Q150 L194 T391 V453 F454	M148-V192 HydrophobicContact CB-CG2 3.9Å; M148-V192 HydrophobicContact CG-CG2 3.97Å; M148-V192 HydrophobicContact SD-CG2 4.16Å; Q150-V192 HydrophobicContact CB-CG2 4.07Å; V192-L194 HydrophobicContact CG1-CG 4.35Å; V192-L194 PolarHBondContact O-N 3.46Å; V192-L194 VanDerWaalsContact O-N 3.11Å; V192-T391 HydrophobicContact CG2-CG2 4.41Å; V192-V453 HydrophobicContact CG2-CG2 4.04Å; V192-F454 HydrophobicContact CG1-CE2 4.47Å
193	K	68.4	Low	69.7	Low	175 Å²	175	52.1 Å²	52.1	76%	0.761	32%	0.315	S	S	*	.			trans	-76.2	100.2	179.5	-65.1	-176.5	-178.6	-179.6	0	109.4	L191	L191-K193 PolarHBondContact O-N 3Å; L191-K193 VanDerWaalsContact O-N 3.08Å
194	L	64.1	Low	68.3	Low	42 Å²	42	57.2 Å²	57.2	22%	0.22	35%	0.346	C	S	.	.			trans	-97.2	137.8	171	-69.4	168.9	0	0	0	110.5	V192 G196 K197 N389 M390 F454	V192-L194 HydrophobicContact CG1-CG 4.35Å; V192-L194 PolarHBondContact O-N 3.46Å; V192-L194 VanDerWaalsContact O-N 3.11Å; L194-G196 PolarHBondContact O-N 2.94Å; L194-G196 VanDerWaalsContact O-N 3.12Å; L194-K197 PolarHBondContact O-N 3.28Å; L194-N389 WeakPolarHBondContact CD1-O 3.49Å; L194-M390 WeakPolarHBondContact CD1-O 3.31Å; L194-F454 HydrophobicContact CD2-CZ 4.1Å
195	P	54	Low	66.8	Low	136 Å²	136	63 Å²	63	88%	0.883	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	114.9	171.8	25.6	-31.3	0	0	0	109.7
196	G	50	Low	66.1	Low	86 Å²	86	65.6 Å²	65.6	89%	0.887	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.4	-1	177.1	0	0	0	0	0	116.3	L194	L194-G196 PolarHBondContact O-N 2.94Å; L194-G196 VanDerWaalsContact O-N 3.12Å
197	K	56.5	Low	66	Low	74 Å²	74	66.9 Å²	66.9	32%	0.322	40%	0.396	S	S	.	.	S	Bend	trans	-75.6	150.3	173.2	-148.8	171.7	-177.5	-178.2	0	111	E147 L194 V199	E147-K197 VanDerWaalsContact CD-NZ 3.29Å; E147-K197 WeakPolarHBondContact OE1-CE 3.3Å; E147-K197 IonicContact OE1-NZ 3.88Å; E147-K197 PolarHBondContact OE1-NZ 3.33Å; L194-K197 PolarHBondContact O-N 3.28Å; K197-V199 PolarHBondContact O-N 3.05Å
198	S	49.6	Very low	66.2	Low	49 Å²	49	64.8 Å²	64.8	34%	0.343	39%	0.388	S	S	.	.			trans	-57.1	137.5	-174.5	91.9	0	0	0	0	111.1	T200 D201 S202	S198-T200 PolarHBondContact O-N 2.59Å; S198-T200 PolarHBondContact OG-OG1 3.04Å; S198-D201 PolarHBondContact O-N 2.64Å; S198-D201 PolarHBondContact OG-N 2.84Å; S198-D201 PolarHBondContact OG-OD2 2.82Å; S198-S202 PolarHBondContact O-OG 3.4Å
199	V	50.1	Low	66.5	Low	105 Å²	105	64.4 Å²	64.4	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-58.3	-33.6	178	-177.6	0	0	0	0	110.5	K197 D201 S202 D203	K197-V199 PolarHBondContact O-N 3.05Å; V199-D201 PolarHBondContact O-N 3.41Å; V199-S202 WeakPolarHBondContact CA-OG 3.32Å; V199-S202 PolarHBondContact O-N 3.23Å; V199-S202 PolarHBondContact O-OG 3.14Å; V199-D203 PolarHBondContact O-N 2.96Å
200	T	50.6	Low	67	Low	89 Å²	89	63.6 Å²	63.6	55%	0.546	38%	0.38	S	S	.	.	H	α-helix	trans	-66	-32.1	-176.9	43.7	0	0	0	0	114.3	S198 S202 N206	S198-T200 PolarHBondContact O-N 2.59Å; S198-T200 PolarHBondContact OG-OG1 3.04Å; T200-S202 VanDerWaalsContact C-N 3.34Å; T200-N206 PolarHBondContact O-ND2 2.94Å; T200-N206 VanDerWaalsContact O-ND2 3.12Å
201	D	55.6	Low	67.7	Low	47 Å²	47	62.4 Å²	62.4	25%	0.251	37%	0.368	S	S	.	.	H	α-helix	trans	-81.4	-19.7	174.4	-61.2	-50.6	0	0	0	111.9	L191 S198 V199	L191-D201 WeakPolarHBondContact CD1-O 3.37Å; S198-D201 PolarHBondContact O-N 2.64Å; S198-D201 PolarHBondContact OG-N 2.84Å; S198-D201 PolarHBondContact OG-OD2 2.82Å; V199-D201 PolarHBondContact O-N 3.41Å
202	S	55.1	Low	68.5	Low	66 Å²	66	61 Å²	61	46%	0.462	36%	0.361	S	S	.	.	H	α-helix	trans	-93.8	-6.1	-176.5	63.5	0	0	0	0	114.4	S198 V199 T200 V204	S198-S202 PolarHBondContact O-OG 3.4Å; V199-S202 WeakPolarHBondContact CA-OG 3.32Å; V199-S202 PolarHBondContact O-N 3.23Å; V199-S202 PolarHBondContact O-OG 3.14Å; T200-S202 VanDerWaalsContact C-N 3.34Å; S202-V204 PolarHBondContact O-N 3.45Å
203	D	60.9	Low	69.6	Low	76 Å²	76	60.7 Å²	60.7	41%	0.406	36%	0.358	S	S	.	.			trans	-65.5	117.2	176.8	-78.5	-30.9	0	0	0	109.5	V199 D205 N206	V199-D203 PolarHBondContact O-N 2.96Å; D203-D205 PolarHBondContact O-N 2.96Å; D203-D205 VanDerWaalsContact O-N 3.13Å; D203-N206 PolarHBondContact O-N 3.01Å
204	V	61.8	Low	70.9	Confident	108 Å²	108	52.3 Å²	52.3	66%	0.655	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-57.2	-29	-179.5	-178.3	0	0	0	0	110.9	S202 N206 F207	S202-V204 PolarHBondContact O-N 3.45Å; V204-N206 PolarHBondContact O-N 3.09Å; V204-F207 PolarHBondContact O-N 3.37Å; V204-F207 VanDerWaalsContact O-N 3.15Å
205	D	60.7	Low	72.3	Confident	122 Å²	122	50.9 Å²	50.9	65%	0.652	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-68	-18.6	-179.3	-61.1	-13.5	0	0	0	113.2	D203 F207	D203-D205 PolarHBondContact O-N 2.96Å; D203-D205 VanDerWaalsContact O-N 3.13Å; D205-F207 VanDerWaalsContact C-N 3.32Å
206	N	77	Confident	74.2	Confident	55 Å²	55	44.9 Å²	44.9	29%	0.294	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-83.8	-5.7	176.1	-77.2	-19.1	0	0	0	113.3	T200 D203 V204 H272	T200-N206 PolarHBondContact O-ND2 2.94Å; T200-N206 VanDerWaalsContact O-ND2 3.12Å; D203-N206 PolarHBondContact O-N 3.01Å; V204-N206 PolarHBondContact O-N 3.09Å; N206-H272 PolarHBondContact O-N 3.11Å
207	F	85.1	Confident	76.2	Confident	33 Å²	33	45.8 Å²	45.8	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.7	178.5	-156.7	-96.3	0	0	0	111.3	A189 V204 D205 I209 H272 L274	A189-F207 HydrophobicContact CB-CE1 3.96Å; A189-F207 HydrophobicContact CB-CZ 3.96Å; V204-F207 PolarHBondContact O-N 3.37Å; V204-F207 VanDerWaalsContact O-N 3.15Å; D205-F207 VanDerWaalsContact C-N 3.32Å; F207-I209 HydrophobicContact CD1-CG1 4.28Å; F207-I209 HydrophobicContact CE1-CG1 4.11Å; F207-H272 WeakPolarHBondContact CA-O 3.39Å; F207-H272 HydrophobicContact CD2-CB 3.87Å; F207-H272 HydrophobicContact CE2-CB 4.4Å; F207-L274 HydrophobicContact CE1-CB 3.81Å; F207-L274 HydrophobicContact CE1-CD2 4.27Å; F207-L274 HydrophobicContact CZ-CB 3.67Å; F207-L274 HydrophobicContact CZ-CD2 4.27Å
208	A	90.2	Very high	77.9	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.1	178.7	0	0	0	0	0	110.6	L107 K271 H272 V273 L274	L107-A208 HydrophobicContact CD2-CB 3.99Å; A208-K271 HydrophobicContact CB-CB 4.49Å; A208-K271 HydrophobicContact CB-CD 4.33Å; A208-H272 PolarHBondContact N-O 3.17Å; A208-V273 HydrophobicContact CB-CG2 4.39Å; A208-V273 CarbonylContact O-C 3.57Å; A208-V273 VanDerWaalsContact O-CA 3.29Å; A208-V273 WeakPolarHBondContact O-CA 3.27Å; A208-L274 PolarHBondContact O-N 3.38Å
209	I	91.8	Very high	79.9	Confident	9 Å²	9	52.1 Å²	52.1	5%	0.046	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.6	178.9	-61.1	170.5	0	0	0	108.3	C186 F207 N236 V237 C238 L274	C186-I209 HydrophobicContact CB-CD1 4.05Å; C186-I209 WeakPolarHBondContact O-CD1 3.09Å; F207-I209 HydrophobicContact CD1-CG1 4.28Å; F207-I209 HydrophobicContact CE1-CG1 4.11Å; I209-N236 PolarHBondContact N-O 3.34Å; I209-V237 HydrophobicContact CB-CB 4.47Å; I209-V237 HydrophobicContact CB-CG1 4.39Å; I209-V237 HydrophobicContact CB-CG2 3.92Å; I209-V237 HydrophobicContact CD1-CG2 4.17Å; I209-V237 HydrophobicContact CG2-CG1 4.28Å; I209-V237 HydrophobicContact CG2-CG2 4.39Å; I209-V237 CarbonylContact O-C 3.5Å; I209-V237 VanDerWaalsContact O-CA 3.3Å; I209-V237 WeakPolarHBondContact O-CA 3.39Å; I209-C238 PolarHBondContact O-N 2.89Å; I209-L274 WeakPolarHBondContact CA-O 3.28Å
210	V	94.7	Very high	81.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.1	170.3	179.7	0	0	0	0	107.8	C238 F240 A258 A262 L265 V273 L274 V275 I276	V210-C238 HydrophobicContact CG2-CB 4.43Å; V210-F240 HydrophobicContact CG1-CD2 4.18Å; V210-F240 HydrophobicContact CG1-CE2 3.97Å; V210-A258 HydrophobicContact CG1-CB 3.93Å; V210-A262 HydrophobicContact CB-CB 4.47Å; V210-A262 HydrophobicContact CG2-CB 4.15Å; V210-L265 HydrophobicContact CG2-CD1 4.07Å; V210-V273 HydrophobicContact CB-CG1 4.27Å; V210-V273 HydrophobicContact CG2-CG1 3.69Å; V210-L274 PolarHBondContact N-O 3.22Å; V210-V275 HydrophobicContact CB-CG2 4.37Å; V210-V275 CarbonylContact O-C 3.6Å; V210-V275 VanDerWaalsContact O-CA 3.27Å; V210-V275 WeakPolarHBondContact O-CA 3.37Å; V210-I276 PolarHBondContact O-N 3.47Å
211	F	94.8	Very high	83.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.5	-176.7	-177.7	-81.6	0	0	0	109.7	A213 F224 F228 C238 L239 F240 L241 I276 T278	F211-A213 HydrophobicContact CE1-CB 3.87Å; F211-F224 HydrophobicContact CE1-CB 4.41Å; F211-F224 HydrophobicContact CE1-CD1 4.44Å; F211-F224 AromaticContact CE1-CD2 3.97Å; F211-F224 HydrophobicContact CE1-CD2 3.97Å; F211-F224 HydrophobicContact CE1-CE2 4.34Å; F211-F224 HydrophobicContact CE1-CG 4.02Å; F211-F224 AromaticContact CE2-CD1 3.7Å; F211-F224 HydrophobicContact CE2-CD1 3.7Å; F211-F224 HydrophobicContact CE2-CD2 4.33Å; F211-F224 AromaticContact CE2-CE1 3.52Å; F211-F224 HydrophobicContact CE2-CE1 3.52Å; F211-F224 HydrophobicContact CE2-CE2 4.18Å; F211-F224 HydrophobicContact CE2-CG 4.11Å; F211-F224 AromaticContact CE2-CZ 3.77Å; F211-F224 HydrophobicContact CE2-CZ 3.77Å; F211-F224 HydrophobicContact CZ-CB 4.38Å; F211-F224 AromaticContact CZ-CD1 3.64Å; F211-F224 HydrophobicContact CZ-CD1 3.64Å; F211-F224 AromaticContact CZ-CD2 3.46Å; F211-F224 HydrophobicContact CZ-CD2 3.46Å; F211-F224 VanDerWaalsContact CZ-CD2 3.46Å; F211-F224 AromaticContact CZ-CE1 3.64Å; F211-F224 HydrophobicContact CZ-CE1 3.64Å; F211-F224 AromaticContact CZ-CE2 3.46Å; F211-F224 HydrophobicContact CZ-CE2 3.46Å; F211-F224 VanDerWaalsContact CZ-CE2 3.46Å; F211-F224 AromaticContact CZ-CG 3.55Å; F211-F224 HydrophobicContact CZ-CG 3.55Å; F211-F224 AromaticContact CZ-CZ 3.53Å; F211-F224 HydrophobicContact CZ-CZ 3.53Å; F211-F228 HydrophobicContact CB-CE2 4.48Å; F211-F228 HydrophobicContact CD2-CE2 4.21Å; F211-F228 HydrophobicContact CD2-CZ 4.1Å; F211-F228 HydrophobicContact CG-CE2 4.18Å; F211-F228 HydrophobicContact CG-CZ 4.47Å; F211-C238 PolarHBondContact N-O 3.41Å; F211-L239 HydrophobicContact CB-CD2 3.58Å; F211-L239 HydrophobicContact CD1-CD2 3.52Å; F211-L239 HydrophobicContact CE1-CD2 4.46Å; F211-L239 HydrophobicContact CG-CD2 3.76Å; F211-L239 CarbonylContact O-C 3.57Å; F211-L239 WeakPolarHBondContact O-CA 3.49Å; F211-F240 PolarHBondContact O-N 2.78Å; F211-L241 HydrophobicContact CE1-CD2 4.44Å; F211-I276 HydrophobicContact CD2-CB 3.78Å; F211-I276 HydrophobicContact CD2-CG2 3.88Å; F211-I276 HydrophobicContact CE2-CB 4.19Å; F211-I276 HydrophobicContact CE2-CG2 3.75Å; F211-T278 HydrophobicContact CE1-CG2 3.96Å; F211-T278 HydrophobicContact CE2-CG2 4Å; F211-T278 HydrophobicContact CZ-CG2 3.37Å
212	A	96.3	Very high	85.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.4	178.8	0	0	0	0	0	110.2	F240 T254 A258 I276 L277 T278	A212-F240 CarbonylContact C-O 3.59Å; A212-F240 WeakPolarHBondContact CA-O 3.43Å; A212-F240 HydrophobicContact CB-CB 4.4Å; A212-T254 HydrophobicContact CB-CG2 4.25Å; A212-A258 HydrophobicContact CB-CB 3.65Å; A212-I276 PolarHBondContact N-O 3.25Å; A212-L277 HydrophobicContact CB-CD2 3.63Å; A212-T278 PolarHBondContact O-N 2.96Å
213	A	95.1	Very high	87.2	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.2	175.6	0	0	0	0	0	110.2	F211 V216 F240 L241 N242 T278	F211-A213 HydrophobicContact CE1-CB 3.87Å; A213-V216 HydrophobicContact CB-CB 4.4Å; A213-V216 HydrophobicContact CB-CG1 3.94Å; A213-V216 HydrophobicContact CB-CG2 3.55Å; A213-F240 PolarHBondContact N-O 3.42Å; A213-L241 HydrophobicContact CB-CD2 3.64Å; A213-N242 WeakPolarHBondContact O-CA 3.33Å; A213-N242 WeakPolarHBondContact O-CB 3.47Å; A213-N242 PolarHBondContact O-N 3.25Å; A213-T278 CarbonylContact C-O 3.6Å; A213-T278 VanDerWaalsContact C-O 3.26Å; A213-T278 WeakPolarHBondContact CA-O 3.36Å; A213-T278 HydrophobicContact CB-CG2 4.49Å
214	M	95.8	Very high	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.7	-175.1	-62.8	166.5	-70.2	0	0	108.5	V216 R251 T254 P255 L277 T278 D279 M280 S282 Y283	M214-V216 PolarHBondContact O-N 2.81Å; M214-R251 HydrophobicContact CB-CB 4.4Å; M214-R251 HydrophobicContact CB-CG 4.34Å; M214-T254 HydrophobicContact CG-CG2 3.79Å; M214-P255 HydrophobicContact SD-CB 4.01Å; M214-P255 HydrophobicContact SD-CG 3.79Å; M214-L277 HydrophobicContact CE-CB 4.13Å; M214-T278 PolarHBondContact N-O 3.11Å; M214-D279 PolarHBondContact O-N 3.43Å; M214-M280 HydrophobicContact CE-SD 3.75Å; M214-S282 WeakPolarHBondContact O-CB 3.41Å; M214-Y283 HydrophobicContact SD-CD2 4.16Å
215	G	93.3	Very high	89.9	Confident	11 Å²	11	43.7 Å²	43.7	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.5	21.2	179.3	0	0	0	0	0	114.8	N242	G215-N242 PolarHBondContact N-O 3.04Å; G215-N242 PolarHBondContact N-OD1 3.5Å; G215-N242 VanDerWaalsContact N-OD1 3.16Å
216	V	92.9	Very high	91.3	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	152	-177.8	-62.3	0	0	0	0	112.2	A213 M214 T220 A221 N242 L243 A244	A213-V216 HydrophobicContact CB-CB 4.4Å; A213-V216 HydrophobicContact CB-CG1 3.94Å; A213-V216 HydrophobicContact CB-CG2 3.55Å; M214-V216 PolarHBondContact O-N 2.81Å; V216-T220 HydrophobicContact CB-CG2 4.14Å; V216-T220 HydrophobicContact CG1-CG2 4.29Å; V216-A221 HydrophobicContact CG2-CB 4.21Å; V216-N242 PolarHBondContact N-O 2.99Å; V216-L243 HydrophobicContact CG2-CD2 4.36Å; V216-L243 CarbonylContact O-C 3.58Å; V216-L243 WeakPolarHBondContact O-CA 3.49Å; V216-A244 PolarHBondContact O-N 2.81Å
217	N	92.9	Very high	91.9	Very high	104 Å²	104	40.8 Å²	40.8	56%	0.556	19%	0.194	S	C	*	.			trans	-67.8	155.5	173.6	-69.7	-21.3	0	0	0	111.2	E219 T220 A221	N217-E219 PolarHBondContact O-N 2.73Å; N217-T220 PolarHBondContact O-N 3.37Å; N217-A221 PolarHBondContact O-N 3.45Å
218	M	91.7	Very high	92	Very high	97 Å²	97	39.2 Å²	39.2	48%	0.478	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-33.7	176.2	-176.7	69.3	79.9	0	0	112.1	R222 L243	M218-R222 WeakPolarHBondContact O-CB 3.35Å; M218-R222 VanDerWaalsContact O-CG 3.28Å; M218-R222 WeakPolarHBondContact O-CG 3.45Å; M218-R222 PolarHBondContact O-N 3.27Å; M218-L243 HydrophobicContact CE-CD1 3.78Å; M218-L243 HydrophobicContact SD-CD1 4.16Å
219	E	91.9	Very high	91.8	Very high	160 Å²	160	45.2 Å²	45.2	75%	0.748	21%	0.213	S	C	*	.	H	α-helix	trans	-65.4	-49.9	177.2	-173.9	169.9	-165.4	0	0	111.8	N217 A221 R222 F223	N217-E219 PolarHBondContact O-N 2.73Å; E219-A221 VanDerWaalsContact C-N 3.35Å; E219-A221 PolarHBondContact O-N 2.86Å; E219-R222 WeakPolarHBondContact O-CB 3.13Å; E219-R222 PolarHBondContact O-N 2.87Å; E219-R222 VanDerWaalsContact O-N 3.17Å; E219-F223 WeakPolarHBondContact O-CB 3.39Å; E219-F223 PolarHBondContact O-N 3.4Å
220	T	90.4	Very high	91.6	Very high	24 Å²	24	50.6 Å²	50.6	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-46	173.5	-58.1	0	0	0	0	111.8	D179 V216 N217 R222 F223 F224	D179-T220 HydrophobicContact CB-CG2 4.49Å; D179-T220 WeakPolarHBondContact OD2-CG2 3.41Å; D179-T220 PolarHBondContact OD2-OG1 3.08Å; V216-T220 HydrophobicContact CB-CG2 4.14Å; V216-T220 HydrophobicContact CG1-CG2 4.29Å; N217-T220 PolarHBondContact O-N 3.37Å; T220-R222 VanDerWaalsContact C-N 3.32Å; T220-R222 PolarHBondContact O-N 3.35Å; T220-F223 WeakPolarHBondContact O-CB 3.39Å; T220-F223 PolarHBondContact O-N 3.48Å; T220-F224 HydrophobicContact CG2-CD2 3.79Å; T220-F224 HydrophobicContact CG2-CE2 3.5Å; T220-F224 VanDerWaalsContact O-CD2 3.23Å; T220-F224 WeakPolarHBondContact O-CD2 3.35Å; T220-F224 PolarHBondContact O-N 3.34Å; T220-F224 VanDerWaalsContact O-N 3.08Å
221	A	90.2	Very high	91	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-40.5	177.6	0	0	0	0	0	112.3	V216 N217 E219 M225 L243	V216-A221 HydrophobicContact CG2-CB 4.21Å; N217-A221 PolarHBondContact O-N 3.45Å; E219-A221 VanDerWaalsContact C-N 3.35Å; E219-A221 PolarHBondContact O-N 2.86Å; A221-M225 WeakPolarHBondContact O-CB 3.27Å; A221-M225 VanDerWaalsContact O-CG 3.22Å; A221-M225 WeakPolarHBondContact O-CG 3.4Å; A221-M225 PolarHBondContact O-N 2.8Å; A221-M225 VanDerWaalsContact O-N 3.08Å; A221-L243 HydrophobicContact CB-CD2 3.5Å
222	R	92.1	Very high	90	Very high	163 Å²	163	56.6 Å²	56.6	62%	0.615	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-41.2	174.6	-76.7	176.2	-176	175.7	2	112	M218 E219 T220 M225 Q226	M218-R222 WeakPolarHBondContact O-CB 3.35Å; M218-R222 VanDerWaalsContact O-CG 3.28Å; M218-R222 WeakPolarHBondContact O-CG 3.45Å; M218-R222 PolarHBondContact O-N 3.27Å; E219-R222 WeakPolarHBondContact O-CB 3.13Å; E219-R222 PolarHBondContact O-N 2.87Å; E219-R222 VanDerWaalsContact O-N 3.17Å; T220-R222 VanDerWaalsContact C-N 3.32Å; T220-R222 PolarHBondContact O-N 3.35Å; R222-M225 PolarHBondContact O-N 3.04Å; R222-Q226 VanDerWaalsContact O-CB 3.29Å; R222-Q226 WeakPolarHBondContact O-CB 3.29Å; R222-Q226 PolarHBondContact O-N 3.01Å
223	F	92.3	Very high	89.1	Confident	70 Å²	70	57.9 Å²	57.9	31%	0.307	29%	0.292	S	S	.	.	H	α-helix	trans	-56.1	-54.1	177.4	170.9	-100.9	0	0	0	111.1	D179 E180 A183 E219 T220 M225 Q226 D227	D179-F223 HydrophobicContact CB-CD1 4.3Å; D179-F223 HydrophobicContact CB-CE1 4.23Å; E180-F223 HydrophobicContact CB-CZ 4.34Å; E180-F223 HydrophobicContact CG-CE1 4.41Å; E180-F223 HydrophobicContact CG-CE2 4.38Å; E180-F223 HydrophobicContact CG-CZ 3.83Å; A183-F223 HydrophobicContact CB-CE1 3.78Å; A183-F223 HydrophobicContact CB-CZ 4.06Å; E219-F223 WeakPolarHBondContact O-CB 3.39Å; E219-F223 PolarHBondContact O-N 3.4Å; T220-F223 WeakPolarHBondContact O-CB 3.39Å; T220-F223 PolarHBondContact O-N 3.48Å; F223-M225 PolarHBondContact O-N 3.37Å; F223-Q226 PolarHBondContact O-N 3.25Å; F223-D227 WeakPolarHBondContact O-CB 3.29Å; F223-D227 PolarHBondContact O-N 3.45Å
224	F	89.9	Confident	88.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-43.2	177.2	-74.7	-66.9	0	0	0	112.7	D179 A182 A183 F211 T220 Q226 D227 F228	D179-F224 HydrophobicContact CB-CE2 3.89Å; D179-F224 HydrophobicContact CB-CZ 3.68Å; D179-F224 WeakPolarHBondContact O-CE1 3.47Å; A182-F224 HydrophobicContact CB-CE1 4.2Å; A182-F224 HydrophobicContact CB-CZ 4.28Å; A183-F224 HydrophobicContact CB-CD1 4.33Å; A183-F224 HydrophobicContact CB-CE1 4.09Å; F211-F224 HydrophobicContact CE1-CB 4.41Å; F211-F224 HydrophobicContact CE1-CD1 4.44Å; F211-F224 AromaticContact CE1-CD2 3.97Å; F211-F224 HydrophobicContact CE1-CD2 3.97Å; F211-F224 HydrophobicContact CE1-CE2 4.34Å; F211-F224 HydrophobicContact CE1-CG 4.02Å; F211-F224 AromaticContact CE2-CD1 3.7Å; F211-F224 HydrophobicContact CE2-CD1 3.7Å; F211-F224 HydrophobicContact CE2-CD2 4.33Å; F211-F224 AromaticContact CE2-CE1 3.52Å; F211-F224 HydrophobicContact CE2-CE1 3.52Å; F211-F224 HydrophobicContact CE2-CE2 4.18Å; F211-F224 HydrophobicContact CE2-CG 4.11Å; F211-F224 AromaticContact CE2-CZ 3.77Å; F211-F224 HydrophobicContact CE2-CZ 3.77Å; F211-F224 HydrophobicContact CZ-CB 4.38Å; F211-F224 AromaticContact CZ-CD1 3.64Å; F211-F224 HydrophobicContact CZ-CD1 3.64Å; F211-F224 AromaticContact CZ-CD2 3.46Å; F211-F224 HydrophobicContact CZ-CD2 3.46Å; F211-F224 VanDerWaalsContact CZ-CD2 3.46Å; F211-F224 AromaticContact CZ-CE1 3.64Å; F211-F224 HydrophobicContact CZ-CE1 3.64Å; F211-F224 AromaticContact CZ-CE2 3.46Å; F211-F224 HydrophobicContact CZ-CE2 3.46Å; F211-F224 VanDerWaalsContact CZ-CE2 3.46Å; F211-F224 AromaticContact CZ-CG 3.55Å; F211-F224 HydrophobicContact CZ-CG 3.55Å; F211-F224 AromaticContact CZ-CZ 3.53Å; F211-F224 HydrophobicContact CZ-CZ 3.53Å; T220-F224 HydrophobicContact CG2-CD2 3.79Å; T220-F224 HydrophobicContact CG2-CE2 3.5Å; T220-F224 VanDerWaalsContact O-CD2 3.23Å; T220-F224 WeakPolarHBondContact O-CD2 3.35Å; T220-F224 PolarHBondContact O-N 3.34Å; T220-F224 VanDerWaalsContact O-N 3.08Å; F224-Q226 VanDerWaalsContact C-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.17Å; F224-D227 PolarHBondContact O-N 3.21Å; F224-F228 HydrophobicContact CB-CD2 4.33Å; F224-F228 HydrophobicContact CB-CE2 3.94Å; F224-F228 HydrophobicContact CD1-CE2 4.06Å; F224-F228 HydrophobicContact CD1-CZ 4.05Å; F224-F228 HydrophobicContact CG-CE2 4.43Å; F224-F228 WeakPolarHBondContact O-CD2 3.43Å; F224-F228 WeakPolarHBondContact O-CG 3.29Å; F224-F228 PolarHBondContact O-N 2.89Å
225	M	88.1	Confident	88	Confident	51 Å²	51	67 Å²	67	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-37.1	178.2	-75.7	179.6	62	0	0	113	I110 A221 R222 F223 K229 L239 L241	I110-M225 HydrophobicContact CD1-CE 3.62Å; I110-M225 HydrophobicContact CD1-CG 4.39Å; I110-M225 HydrophobicContact CD1-SD 4.35Å; A221-M225 WeakPolarHBondContact O-CB 3.27Å; A221-M225 VanDerWaalsContact O-CG 3.22Å; A221-M225 WeakPolarHBondContact O-CG 3.4Å; A221-M225 PolarHBondContact O-N 2.8Å; A221-M225 VanDerWaalsContact O-N 3.08Å; R222-M225 PolarHBondContact O-N 3.04Å; F223-M225 PolarHBondContact O-N 3.37Å; M225-K229 WeakPolarHBondContact O-CB 3.45Å; M225-K229 WeakPolarHBondContact O-CD 3.31Å; M225-K229 WeakPolarHBondContact O-CG 3.21Å; M225-K229 PolarHBondContact O-N 3.48Å; M225-L239 HydrophobicContact CG-CD1 4.43Å; M225-L241 HydrophobicContact CG-CD1 4Å; M225-L241 HydrophobicContact SD-CD1 3.69Å
226	Q	90.8	Very high	87.6	Confident	111 Å²	111	68.9 Å²	68.9	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-72.3	-46.1	178.1	-178.8	169.9	-6.5	0	0	110.2	R222 F223 F224 F228 K229 E230	R222-Q226 VanDerWaalsContact O-CB 3.29Å; R222-Q226 WeakPolarHBondContact O-CB 3.29Å; R222-Q226 PolarHBondContact O-N 3.01Å; F223-Q226 PolarHBondContact O-N 3.25Å; F224-Q226 VanDerWaalsContact C-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.17Å; Q226-F228 PolarHBondContact O-N 2.98Å; Q226-K229 PolarHBondContact O-N 3.23Å; Q226-K229 VanDerWaalsContact O-N 3.15Å; Q226-E230 HydrophobicContact CG-CG 4.27Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.41Å; Q226-E230 PolarHBondContact NE2-OE1 2.9Å; Q226-E230 WeakPolarHBondContact O-CG 3.06Å; Q226-E230 PolarHBondContact O-N 2.91Å
227	D	89.9	Confident	87.5	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-48.8	178.7	-169	68	0	0	0	111.5	R187 F223 F224 K229 E230 N231	R187-D227 IonicContact CZ-OD1 2.96Å; R187-D227 IonicContact CZ-OD2 2.74Å; R187-D227 IonicContact NH1-OD1 3.9Å; R187-D227 PolarHBondContact NH1-OD1 2.93Å; R187-D227 IonicContact NH1-OD2 3.89Å; R187-D227 PolarHBondContact NH1-OD2 3.41Å; F223-D227 WeakPolarHBondContact O-CB 3.29Å; F223-D227 PolarHBondContact O-N 3.45Å; F224-D227 PolarHBondContact O-N 3.21Å; D227-K229 PolarHBondContact O-N 2.8Å; D227-E230 PolarHBondContact O-N 2.92Å; D227-N231 VanDerWaalsContact CG-ND2 3.35Å; D227-N231 PolarHBondContact O-N 3.2Å; D227-N231 VanDerWaalsContact O-N 3.12Å; D227-N231 PolarHBondContact O-ND2 3.02Å; D227-N231 PolarHBondContact OD1-ND2 3.46Å; D227-N231 VanDerWaalsContact OD1-ND2 3.11Å; D227-N231 PolarHBondContact OD2-ND2 2.91Å
228	F	87.1	Confident	87.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-26.8	178.6	-63.3	-41.8	0	0	0	113.8	C186 F211 F224 Q226 M234 V237 L239	C186-F228 HydrophobicContact CB-CE1 3.59Å; C186-F228 HydrophobicContact CB-CZ 4.18Å; F211-F228 HydrophobicContact CB-CE2 4.48Å; F211-F228 HydrophobicContact CD2-CE2 4.21Å; F211-F228 HydrophobicContact CD2-CZ 4.1Å; F211-F228 HydrophobicContact CG-CE2 4.18Å; F211-F228 HydrophobicContact CG-CZ 4.47Å; F224-F228 HydrophobicContact CB-CD2 4.33Å; F224-F228 HydrophobicContact CB-CE2 3.94Å; F224-F228 HydrophobicContact CD1-CE2 4.06Å; F224-F228 HydrophobicContact CD1-CZ 4.05Å; F224-F228 HydrophobicContact CG-CE2 4.43Å; F224-F228 WeakPolarHBondContact O-CD2 3.43Å; F224-F228 WeakPolarHBondContact O-CG 3.29Å; F224-F228 PolarHBondContact O-N 2.89Å; Q226-F228 PolarHBondContact O-N 2.98Å; F228-M234 HydrophobicContact CB-SD 4.22Å; F228-M234 PolarHBondContact O-N 3.37Å; F228-V237 HydrophobicContact CD1-CG2 4.36Å; F228-V237 HydrophobicContact CD2-CG1 4.24Å; F228-V237 HydrophobicContact CE2-CG1 4.41Å; F228-V237 HydrophobicContact CG-CG1 4.47Å; F228-V237 HydrophobicContact CG-CG2 4.49Å; F228-L239 HydrophobicContact CD2-CD1 4.06Å; F228-L239 HydrophobicContact CD2-CD2 3.72Å; F228-L239 HydrophobicContact CD2-CG 4.36Å; F228-L239 HydrophobicContact CE2-CD2 3.59Å
229	K	87	Confident	87.7	Confident	128 Å²	128	58.8 Å²	58.8	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-76	-42.5	174.3	-76.7	175.1	-177.4	-177	0	112.4	M225 Q226 D227 N231 G232	M225-K229 WeakPolarHBondContact O-CB 3.45Å; M225-K229 WeakPolarHBondContact O-CD 3.31Å; M225-K229 WeakPolarHBondContact O-CG 3.21Å; M225-K229 PolarHBondContact O-N 3.48Å; Q226-K229 PolarHBondContact O-N 3.23Å; Q226-K229 VanDerWaalsContact O-N 3.15Å; D227-K229 PolarHBondContact O-N 2.8Å; K229-N231 VanDerWaalsContact C-N 3.35Å; K229-G232 PolarHBondContact O-N 2.97Å
230	E	87.5	Confident	87.9	Confident	122 Å²	122	51.2 Å²	51.2	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-68.6	-35	-177.2	-74.3	179	-175.3	0	0	112.1	Q226 D227 G232	Q226-E230 HydrophobicContact CG-CG 4.27Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.41Å; Q226-E230 PolarHBondContact NE2-OE1 2.9Å; Q226-E230 WeakPolarHBondContact O-CG 3.06Å; Q226-E230 PolarHBondContact O-N 2.91Å; D227-E230 PolarHBondContact O-N 2.92Å; E230-G232 VanDerWaalsContact C-N 3.3Å; E230-G232 PolarHBondContact O-N 3.24Å
231	N	81.2	Confident	88.1	Confident	70 Å²	70	50.1 Å²	50.1	37%	0.374	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1	-178.6	-62.3	-66.9	0	0	0	114.1	R187 D227 K229 S233	R187-N231 WeakPolarHBondContact CD-ND2 3.23Å; R187-N231 WeakPolarHBondContact CD-OD1 3.45Å; R187-N231 HydrophobicContact CG-CB 4.29Å; D227-N231 VanDerWaalsContact CG-ND2 3.35Å; D227-N231 PolarHBondContact O-N 3.2Å; D227-N231 VanDerWaalsContact O-N 3.12Å; D227-N231 PolarHBondContact O-ND2 3.02Å; D227-N231 PolarHBondContact OD1-ND2 3.46Å; D227-N231 VanDerWaalsContact OD1-ND2 3.11Å; D227-N231 PolarHBondContact OD2-ND2 2.91Å; K229-N231 VanDerWaalsContact C-N 3.35Å; N231-S233 PolarHBondContact O-N 3.16Å; N231-S233 VanDerWaalsContact O-N 3.11Å
232	G	74.6	Confident	88.3	Confident	56 Å²	56	50 Å²	50	58%	0.577	25%	0.247	S	C	*	.	S	Bend	trans	67.5	5.6	-178.6	0	0	0	0	0	114.6	K229 E230 M234	K229-G232 PolarHBondContact O-N 2.97Å; E230-G232 VanDerWaalsContact C-N 3.3Å; E230-G232 PolarHBondContact O-N 3.24Å; G232-M234 PolarHBondContact O-N 3.44Å
233	S	76.4	Confident	88.4	Confident	28 Å²	28	42.5 Å²	42.5	20%	0.196	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-78.3	-7.2	179.6	63.3	0	0	0	0	113.2	N231 E235 N236 V237	N231-S233 PolarHBondContact O-N 3.16Å; N231-S233 VanDerWaalsContact O-N 3.11Å; S233-E235 PolarHBondContact O-N 2.73Å; S233-E235 VanDerWaalsContact O-N 3.16Å; S233-N236 PolarHBondContact O-N 3.08Å; S233-V237 WeakPolarHBondContact O-CG2 3.22Å; S233-V237 PolarHBondContact O-N 2.85Å
234	M	81.7	Confident	88.4	Confident	32 Å²	32	41.3 Å²	41.3	16%	0.158	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-52	-40.1	-175.6	-169.7	72.1	-164.1	0	0	112.6	G108 I110 F228 G232 N236 V237 L239	G108-M234 WeakPolarHBondContact CA-O 3.35Å; I110-M234 HydrophobicContact CD1-CE 3.8Å; I110-M234 HydrophobicContact CG1-CE 3.54Å; F228-M234 HydrophobicContact CB-SD 4.22Å; F228-M234 PolarHBondContact O-N 3.37Å; G232-M234 PolarHBondContact O-N 3.44Å; M234-N236 PolarHBondContact O-N 2.89Å; M234-N236 VanDerWaalsContact O-N 3.14Å; M234-V237 PolarHBondContact O-N 2.93Å; M234-L239 HydrophobicContact CE-CD1 3.94Å; M234-L239 HydrophobicContact SD-CD1 4.14Å
235	E	85.7	Confident	88.5	Confident	159 Å²	159	47.1 Å²	47.1	74%	0.743	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-57.6	-29.7	-178.2	-63.5	-176.5	176.1	0	0	113.2	L107 G108 S233	L107-E235 CarbonylContact C-O 3.5Å; L107-E235 WeakPolarHBondContact CB-O 3.43Å; G108-E235 PolarHBondContact N-O 3.35Å; S233-E235 PolarHBondContact O-N 2.73Å; S233-E235 VanDerWaalsContact O-N 3.16Å
236	N	86.6	Confident	88.7	Confident	51 Å²	51	46.4 Å²	46.4	27%	0.273	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-102.9	6.4	-179.7	-65.8	-4.8	0	0	0	113.1	I209 S233 M234	I209-N236 PolarHBondContact N-O 3.34Å; S233-N236 PolarHBondContact O-N 3.08Å; M234-N236 PolarHBondContact O-N 2.89Å; M234-N236 VanDerWaalsContact O-N 3.14Å
237	V	90.2	Very high	88.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.4	-176.9	-178	0	0	0	0	110.2	G108 I209 F228 S233 M234 L239	G108-V237 WeakPolarHBondContact CA-O 3.32Å; G108-V237 PolarHBondContact N-O 3.01Å; I209-V237 HydrophobicContact CB-CB 4.47Å; I209-V237 HydrophobicContact CB-CG1 4.39Å; I209-V237 HydrophobicContact CB-CG2 3.92Å; I209-V237 HydrophobicContact CD1-CG2 4.17Å; I209-V237 HydrophobicContact CG2-CG1 4.28Å; I209-V237 HydrophobicContact CG2-CG2 4.39Å; I209-V237 CarbonylContact O-C 3.5Å; I209-V237 VanDerWaalsContact O-CA 3.3Å; I209-V237 WeakPolarHBondContact O-CA 3.39Å; F228-V237 HydrophobicContact CD1-CG2 4.36Å; F228-V237 HydrophobicContact CD2-CG1 4.24Å; F228-V237 HydrophobicContact CE2-CG1 4.41Å; F228-V237 HydrophobicContact CG-CG1 4.47Å; F228-V237 HydrophobicContact CG-CG2 4.49Å; S233-V237 WeakPolarHBondContact O-CG2 3.22Å; S233-V237 PolarHBondContact O-N 2.85Å; M234-V237 PolarHBondContact O-N 2.93Å; V237-L239 HydrophobicContact CG1-CD2 4.02Å; V237-L239 HydrophobicContact CG1-CG 3.88Å
238	C	93.5	Very high	88.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.3	167	179	0	0	0	0	109.3	L107 I209 V210 F211 F240	L107-C238 HydrophobicContact CD2-CB 4.48Å; I209-C238 PolarHBondContact O-N 2.89Å; V210-C238 HydrophobicContact CG2-CB 4.43Å; F211-C238 PolarHBondContact N-O 3.41Å; C238-F240 WeakPolarHBondContact SG-CE2 3.38Å
239	L	94.3	Very high	88.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	-177	-71.7	166.4	0	0	0	111.4	R109 I110 F111 F211 M225 F228 M234 V237 L241	R109-L239 PolarHBondContact O-N 3.2Å; R109-L239 VanDerWaalsContact O-N 3.13Å; I110-L239 CarbonylContact C-O 3.54Å; I110-L239 WeakPolarHBondContact CA-O 3.39Å; I110-L239 HydrophobicContact CB-CB 4.45Å; I110-L239 HydrophobicContact CD1-CD1 4.18Å; I110-L239 HydrophobicContact CG1-CB 4.29Å; I110-L239 HydrophobicContact CG1-CD1 4.06Å; I110-L239 HydrophobicContact CG2-CB 4.1Å; F111-L239 PolarHBondContact N-O 3.5Å; F211-L239 HydrophobicContact CB-CD2 3.58Å; F211-L239 HydrophobicContact CD1-CD2 3.52Å; F211-L239 HydrophobicContact CE1-CD2 4.46Å; F211-L239 HydrophobicContact CG-CD2 3.76Å; F211-L239 CarbonylContact O-C 3.57Å; F211-L239 WeakPolarHBondContact O-CA 3.49Å; M225-L239 HydrophobicContact CG-CD1 4.43Å; F228-L239 HydrophobicContact CD2-CD1 4.06Å; F228-L239 HydrophobicContact CD2-CD2 3.72Å; F228-L239 HydrophobicContact CD2-CG 4.36Å; F228-L239 HydrophobicContact CE2-CD2 3.59Å; M234-L239 HydrophobicContact CE-CD1 3.94Å; M234-L239 HydrophobicContact SD-CD1 4.14Å; V237-L239 HydrophobicContact CG1-CD2 4.02Å; V237-L239 HydrophobicContact CG1-CG 3.88Å; L239-L241 HydrophobicContact CB-CG 4.48Å
240	F	95.6	Very high	88.9	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.4	165.7	-62.5	-84	0	0	0	108.8	M106 F111 V210 F211 A212 A213 C238 T254 I257 A258 T261	M106-F240 HydrophobicContact CE-CE1 4.05Å; M106-F240 HydrophobicContact CE-CZ 3.54Å; F111-F240 HydrophobicContact CB-CD1 3.59Å; F111-F240 HydrophobicContact CB-CE1 3.78Å; F111-F240 HydrophobicContact CD2-CD1 4.23Å; F111-F240 AromaticContact CD2-CE1 3.76Å; F111-F240 HydrophobicContact CD2-CE1 3.76Å; F111-F240 HydrophobicContact CD2-CZ 4.11Å; F111-F240 HydrophobicContact CG-CD1 4.24Å; F111-F240 AromaticContact CG-CE1 3.94Å; F111-F240 HydrophobicContact CG-CE1 3.94Å; V210-F240 HydrophobicContact CG1-CD2 4.18Å; V210-F240 HydrophobicContact CG1-CE2 3.97Å; F211-F240 PolarHBondContact O-N 2.78Å; A212-F240 CarbonylContact C-O 3.59Å; A212-F240 WeakPolarHBondContact CA-O 3.43Å; A212-F240 HydrophobicContact CB-CB 4.4Å; A213-F240 PolarHBondContact N-O 3.42Å; C238-F240 WeakPolarHBondContact SG-CE2 3.38Å; F240-T254 HydrophobicContact CB-CG2 4.23Å; F240-I257 HydrophobicContact CD1-CG2 3.97Å; F240-I257 HydrophobicContact CE1-CG2 3.41Å; F240-I257 VanDerWaalsContact CE1-CG2 3.41Å; F240-I257 HydrophobicContact CZ-CG2 3.84Å; F240-A258 HydrophobicContact CD2-CB 3.78Å; F240-A258 HydrophobicContact CE2-CB 4.11Å; F240-A258 HydrophobicContact CG-CB 4.48Å; F240-T261 HydrophobicContact CZ-CG2 4.41Å; F240-T261 WeakPolarHBondContact CZ-OG1 3Å
241	L	94.7	Very high	89.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.2	-175.6	-58.7	179.1	0	0	0	110.7	I110 F111 N112 F211 A213 M225 L239	I110-L241 HydrophobicContact CG2-CD1 3.71Å; I110-L241 HydrophobicContact CG2-CG 4.16Å; F111-L241 PolarHBondContact O-N 3.06Å; N112-L241 WeakPolarHBondContact CA-O 3.37Å; F211-L241 HydrophobicContact CE1-CD2 4.44Å; A213-L241 HydrophobicContact CB-CD2 3.64Å; M225-L241 HydrophobicContact CG-CD1 4Å; M225-L241 HydrophobicContact SD-CD1 3.69Å; L239-L241 HydrophobicContact CB-CG 4.48Å
242	N	94.7	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.5	162.5	175.4	-90.6	0	0	0	108.9	A213 G215 V216 D246 E250 R251	A213-N242 WeakPolarHBondContact O-CA 3.33Å; A213-N242 WeakPolarHBondContact O-CB 3.47Å; A213-N242 PolarHBondContact O-N 3.25Å; G215-N242 PolarHBondContact N-O 3.04Å; G215-N242 PolarHBondContact N-OD1 3.5Å; G215-N242 VanDerWaalsContact N-OD1 3.16Å; V216-N242 PolarHBondContact N-O 2.99Å; N242-D246 VanDerWaalsContact ND2-CB 3.26Å; N242-D246 WeakPolarHBondContact ND2-CB 3.36Å; N242-E250 VanDerWaalsContact ND2-CB 3.31Å; N242-E250 WeakPolarHBondContact ND2-CB 3.4Å; N242-E250 PolarHBondContact ND2-OE2 2.91Å; N242-R251 WeakPolarHBondContact OD1-CG 3.5Å; N242-R251 PolarHBondContact OD1-NE 2.95Å
243	L	94.2	Very high	90.7	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	163.1	-179.4	-61.2	176.5	0	0	0	111.2	K118 V216 M218 A221 N245 D246	K118-L243 VanDerWaalsContact NZ-CD1 3.28Å; V216-L243 HydrophobicContact CG2-CD2 4.36Å; V216-L243 CarbonylContact O-C 3.58Å; V216-L243 WeakPolarHBondContact O-CA 3.49Å; M218-L243 HydrophobicContact CE-CD1 3.78Å; M218-L243 HydrophobicContact SD-CD1 4.16Å; A221-L243 HydrophobicContact CB-CD2 3.5Å; L243-N245 WeakPolarHBondContact CB-OD1 3.41Å; L243-N245 PolarHBondContact O-N 3.38Å; L243-N245 VanDerWaalsContact O-N 3.17Å; L243-D246 WeakPolarHBondContact CB-OD2 3.35Å; L243-D246 PolarHBondContact N-OD2 3.5Å; L243-D246 WeakPolarHBondContact O-CB 3.47Å; L243-D246 PolarHBondContact O-N 3.14Å
244	A	93	Very high	91.6	Very high	46 Å²	46	28.3 Å²	28.3	38%	0.38	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.3	176.4	0	0	0	0	0	113.9	V216 R251	V216-A244 PolarHBondContact O-N 2.81Å; A244-R251 PolarHBondContact O-NH2 3.48Å
245	N	92.5	Very high	92.4	Very high	124 Å²	124	26.8 Å²	26.8	66%	0.663	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-11.2	176.1	68.9	-54.6	0	0	0	113.7	L243	L243-N245 WeakPolarHBondContact CB-OD1 3.41Å; L243-N245 PolarHBondContact O-N 3.38Å; L243-N245 VanDerWaalsContact O-N 3.17Å
246	D	92	Very high	92.9	Very high	36 Å²	36	19.9 Å²	19.9	19%	0.193	11%	0.113	C	C	.	.	S	Bend	trans	-76.4	153.1	173.2	-64.3	-29.1	0	0	0	109.1	N242 L243	N242-D246 VanDerWaalsContact ND2-CB 3.26Å; N242-D246 WeakPolarHBondContact ND2-CB 3.36Å; L243-D246 WeakPolarHBondContact CB-OD2 3.35Å; L243-D246 PolarHBondContact N-OD2 3.5Å; L243-D246 WeakPolarHBondContact O-CB 3.47Å; L243-D246 PolarHBondContact O-N 3.14Å
247	P	89.9	Confident	93.3	Very high	41 Å²	41	17.7 Å²	17.7	27%	0.266	10%	0.101	S	C	.	.			trans	-53.9	140.2	-178.2	-23.3	30.1	0	0	0	113	F78 I249 E250	F78-P247 WeakPolarHBondContact O-CB 3.28Å; P247-I249 PolarHBondContact O-N 3.21Å; P247-E250 HydrophobicContact CB-CG 4.37Å; P247-E250 PolarHBondContact O-N 2.85Å
248	T	90.1	Very high	93.6	Very high	34 Å²	34	17.7 Å²	17.7	21%	0.209	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.6	-177.8	53.9	0	0	0	0	112.3	E250 R251 A286 E289	T248-E250 VanDerWaalsContact C-N 3.32Å; T248-E250 PolarHBondContact O-N 3.4Å; T248-R251 WeakPolarHBondContact O-CB 3.06Å; T248-R251 WeakPolarHBondContact O-CG 3.35Å; T248-R251 PolarHBondContact O-N 2.81Å; T248-R251 VanDerWaalsContact O-N 3.11Å; T248-A286 WeakPolarHBondContact O-CB 3.29Å; T248-E289 VanDerWaalsContact CB-OE2 3.25Å; T248-E289 WeakPolarHBondContact CB-OE2 3.33Å; T248-E289 WeakPolarHBondContact CG2-OE2 3.47Å; T248-E289 PolarHBondContact OG1-OE2 2.86Å
249	I	88	Confident	93.8	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.6	-179.4	-48.1	-45.2	0	0	0	112.4	P35 Q76 F78 P247 R251 I252 V290	P35-I249 HydrophobicContact CB-CD1 4.13Å; P35-I249 HydrophobicContact CB-CG1 4.26Å; Q76-I249 HydrophobicContact CG-CG1 4.44Å; Q76-I249 HydrophobicContact CG-CG2 3.91Å; F78-I249 HydrophobicContact CD1-CB 4.45Å; F78-I249 HydrophobicContact CD1-CG2 3.55Å; F78-I249 HydrophobicContact CE1-CG2 4.13Å; P247-I249 PolarHBondContact O-N 3.21Å; I249-R251 PolarHBondContact O-N 2.8Å; I249-R251 VanDerWaalsContact O-N 3.17Å; I249-I252 WeakPolarHBondContact O-CB 3.42Å; I249-I252 PolarHBondContact O-N 3.33Å; I249-V290 HydrophobicContact CD1-CG2 3.39Å
250	E	91.5	Very high	93.9	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-28.1	174.5	-70.3	-162.9	157.7	0	0	111.9	S114 N242 P247 T248 I252 I253 T254	S114-E250 WeakPolarHBondContact OG-CG 3.34Å; S114-E250 PolarHBondContact OG-OE1 3.44Å; N242-E250 VanDerWaalsContact ND2-CB 3.31Å; N242-E250 WeakPolarHBondContact ND2-CB 3.4Å; N242-E250 PolarHBondContact ND2-OE2 2.91Å; P247-E250 HydrophobicContact CB-CG 4.37Å; P247-E250 PolarHBondContact O-N 2.85Å; T248-E250 VanDerWaalsContact C-N 3.32Å; T248-E250 PolarHBondContact O-N 3.4Å; E250-I252 PolarHBondContact O-N 2.84Å; E250-I253 VanDerWaalsContact O-CG1 3.23Å; E250-I253 WeakPolarHBondContact O-CG1 3.44Å; E250-I253 PolarHBondContact O-N 2.9Å; E250-T254 WeakPolarHBondContact O-CB 3.33Å; E250-T254 PolarHBondContact O-N 3.43Å; E250-T254 PolarHBondContact O-OG1 2.98Å
251	R	94.4	Very high	93.9	Very high	24 Å²	24	17.7 Å²	17.7	9%	0.091	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-28.9	176.8	-59.1	172.4	-169.5	175.1	6.2	112	M214 N242 A244 T248 I249 P255 Y283 A286	M214-R251 HydrophobicContact CB-CB 4.4Å; M214-R251 HydrophobicContact CB-CG 4.34Å; N242-R251 WeakPolarHBondContact OD1-CG 3.5Å; N242-R251 PolarHBondContact OD1-NE 2.95Å; A244-R251 PolarHBondContact O-NH2 3.48Å; T248-R251 WeakPolarHBondContact O-CB 3.06Å; T248-R251 WeakPolarHBondContact O-CG 3.35Å; T248-R251 PolarHBondContact O-N 2.81Å; T248-R251 VanDerWaalsContact O-N 3.11Å; I249-R251 PolarHBondContact O-N 2.8Å; I249-R251 VanDerWaalsContact O-N 3.17Å; R251-P255 WeakPolarHBondContact O-CD 3.34Å; R251-Y283 VanDerWaalsContact O-CD2 3.29Å; R251-Y283 WeakPolarHBondContact O-CD2 3.48Å; R251-A286 HydrophobicContact CB-CB 4.11Å
252	I	92.9	Very high	94	Very high	20 Å²	20	17.6 Å²	17.6	10%	0.103	10%	0.101	C	C	.	.	H	α-helix	trans	-71.2	-38.1	-179.2	-62	177.1	0	0	0	110.9	I249 E250 R256 A286 L287 V290	I249-I252 WeakPolarHBondContact O-CB 3.42Å; I249-I252 PolarHBondContact O-N 3.33Å; E250-I252 PolarHBondContact O-N 2.84Å; I252-R256 PolarHBondContact O-NH1 2.79Å; I252-A286 HydrophobicContact CG1-CB 4.32Å; I252-L287 HydrophobicContact CD1-CD1 4.48Å; I252-V290 HydrophobicContact CD1-CB 4.38Å; I252-V290 HydrophobicContact CD1-CG2 3.62Å
253	I	93.5	Very high	94	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-88.9	-25.7	-178.9	60.1	171.7	0	0	0	113	F78 L98 I132 E250 R256 I257	F78-I253 HydrophobicContact CD2-CD1 4.14Å; F78-I253 HydrophobicContact CE1-CG2 4.28Å; F78-I253 HydrophobicContact CE2-CD1 4.06Å; F78-I253 HydrophobicContact CZ-CD1 4.33Å; F78-I253 HydrophobicContact CZ-CG2 4.14Å; L98-I253 HydrophobicContact CD2-CD1 4.44Å; L98-I253 HydrophobicContact CD2-CG2 4.06Å; I132-I253 HydrophobicContact CD1-CB 4.21Å; I132-I253 HydrophobicContact CD1-CG2 3.95Å; E250-I253 VanDerWaalsContact O-CG1 3.23Å; E250-I253 WeakPolarHBondContact O-CG1 3.44Å; E250-I253 PolarHBondContact O-N 2.9Å; I253-R256 WeakPolarHBondContact O-CB 3.3Å; I253-R256 PolarHBondContact O-N 3.23Å; I253-R256 VanDerWaalsContact O-N 3.09Å; I253-I257 HydrophobicContact CB-CD1 4.32Å; I253-I257 HydrophobicContact CD1-CD1 4.23Å; I253-I257 HydrophobicContact CG1-CD1 4.27Å; I253-I257 WeakPolarHBondContact O-CG1 3.17Å; I253-I257 PolarHBondContact O-N 2.8Å
254	T	95.6	Very high	94	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-50.5	-52.9	-179	-61.3	0	0	0	0	113.8	G113 A212 M214 F240 E250 R256 I257 A258	G113-T254 WeakPolarHBondContact CA-OG1 3.45Å; G113-T254 PolarHBondContact O-OG1 3.18Å; A212-T254 HydrophobicContact CB-CG2 4.25Å; M214-T254 HydrophobicContact CG-CG2 3.79Å; F240-T254 HydrophobicContact CB-CG2 4.23Å; E250-T254 WeakPolarHBondContact O-CB 3.33Å; E250-T254 PolarHBondContact O-N 3.43Å; E250-T254 PolarHBondContact O-OG1 2.98Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 PolarHBondContact O-N 3.29Å; T254-I257 PolarHBondContact O-N 2.81Å; T254-A258 WeakPolarHBondContact O-CB 3.1Å; T254-A258 PolarHBondContact O-N 2.92Å
255	P	97	Very high	94.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-30.3	-179.1	27.2	-32.9	0	0	0	111.9	M214 R251 A258 L259 L277 Y283 I314	M214-P255 HydrophobicContact SD-CB 4.01Å; M214-P255 HydrophobicContact SD-CG 3.79Å; R251-P255 WeakPolarHBondContact O-CD 3.34Å; P255-A258 PolarHBondContact O-N 2.8Å; P255-L259 WeakPolarHBondContact O-CB 3.43Å; P255-L259 VanDerWaalsContact O-CG 3.28Å; P255-L259 WeakPolarHBondContact O-CG 3.34Å; P255-L259 PolarHBondContact O-N 3.09Å; P255-L277 HydrophobicContact CB-CD1 4.39Å; P255-L277 HydrophobicContact CB-CD2 4.2Å; P255-Y283 HydrophobicContact CG-CD2 3.72Å; P255-Y283 HydrophobicContact CG-CE2 3.63Å; P255-I314 HydrophobicContact CB-CD1 4.21Å; P255-I314 HydrophobicContact CB-CG2 4.33Å; P255-I314 HydrophobicContact CG-CD1 3.84Å
256	R	96.3	Very high	94.1	Very high	14 Å²	14	10.6 Å²	10.6	5%	0.053	6%	0.056	C	C	.	.	H	α-helix	trans	-68	-42.2	176.6	-70.4	178.5	171.4	82.6	2.5	111.7	I132 I252 I253 T254 T260 Y283 D310 R317	I132-R256 HydrophobicContact CB-CB 4.1Å; I132-R256 HydrophobicContact CD1-CB 4.14Å; I132-R256 HydrophobicContact CG1-CB 4.48Å; I132-R256 WeakPolarHBondContact O-CB 3.25Å; I252-R256 PolarHBondContact O-NH1 2.79Å; I253-R256 WeakPolarHBondContact O-CB 3.3Å; I253-R256 PolarHBondContact O-N 3.23Å; I253-R256 VanDerWaalsContact O-N 3.09Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 PolarHBondContact O-N 3.29Å; R256-T260 WeakPolarHBondContact O-CB 3.49Å; R256-T260 PolarHBondContact O-N 2.73Å; R256-T260 PolarHBondContact O-OG1 2.95Å; R256-Y283 PolarHBondContact NH1-OH 3.22Å; R256-D310 IonicContact CZ-OD1 2.73Å; R256-D310 IonicContact NH2-OD1 3.05Å; R256-D310 PolarHBondContact NH2-OD1 3.03Å; R256-R317 PolarHBondContact O-NH1 3.48Å
257	I	95.4	Very high	94.2	Very high	5 Å²	5	9.8 Å²	9.8	3%	0.026	5%	0.05	C	C	.	.	H	α-helix	trans	-64.5	-44.9	174.3	-66.7	167.9	0	0	0	110.2	G113 I132 F240 I253 T254 L259 T260 T261	G113-I257 WeakPolarHBondContact O-CD1 3.45Å; I132-I257 HydrophobicContact CG2-CG1 3.89Å; F240-I257 HydrophobicContact CD1-CG2 3.97Å; F240-I257 HydrophobicContact CE1-CG2 3.41Å; F240-I257 VanDerWaalsContact CE1-CG2 3.41Å; F240-I257 HydrophobicContact CZ-CG2 3.84Å; I253-I257 HydrophobicContact CB-CD1 4.32Å; I253-I257 HydrophobicContact CD1-CD1 4.23Å; I253-I257 HydrophobicContact CG1-CD1 4.27Å; I253-I257 WeakPolarHBondContact O-CG1 3.17Å; I253-I257 PolarHBondContact O-N 2.8Å; T254-I257 PolarHBondContact O-N 2.81Å; I257-L259 PolarHBondContact O-N 3.43Å; I257-T260 PolarHBondContact O-N 3.47Å; I257-T261 PolarHBondContact O-N 2.67Å; I257-T261 PolarHBondContact O-OG1 3.42Å
258	A	96.8	Very high	94.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.8	-47.9	177.5	0	0	0	0	0	111.9	V210 A212 F240 T254 P255 T260 T261 A262 L277	V210-A258 HydrophobicContact CG1-CB 3.93Å; A212-A258 HydrophobicContact CB-CB 3.65Å; F240-A258 HydrophobicContact CD2-CB 3.78Å; F240-A258 HydrophobicContact CE2-CB 4.11Å; F240-A258 HydrophobicContact CG-CB 4.48Å; T254-A258 WeakPolarHBondContact O-CB 3.1Å; T254-A258 PolarHBondContact O-N 2.92Å; P255-A258 PolarHBondContact O-N 2.8Å; A258-T260 PolarHBondContact O-N 3.43Å; A258-T261 WeakPolarHBondContact O-CB 3.43Å; A258-T261 PolarHBondContact O-N 2.69Å; A258-A262 WeakPolarHBondContact O-CB 3.34Å; A258-A262 PolarHBondContact O-N 2.97Å; A258-L277 HydrophobicContact CB-CD2 4.44Å
259	L	97.1	Very high	94.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.5	-34.4	178.5	-72.6	171.6	0	0	0	112.9	P255 I257 T261 A262 E263 V275 I314 R317 Q330	P255-L259 WeakPolarHBondContact O-CB 3.43Å; P255-L259 VanDerWaalsContact O-CG 3.28Å; P255-L259 WeakPolarHBondContact O-CG 3.34Å; P255-L259 PolarHBondContact O-N 3.09Å; I257-L259 PolarHBondContact O-N 3.43Å; L259-T261 VanDerWaalsContact C-N 3.32Å; L259-T261 PolarHBondContact O-N 3.36Å; L259-A262 WeakPolarHBondContact O-CB 3.42Å; L259-A262 PolarHBondContact O-N 3.21Å; L259-E263 WeakPolarHBondContact O-CB 3.29Å; L259-E263 VanDerWaalsContact O-CG 3.29Å; L259-E263 WeakPolarHBondContact O-CG 3.42Å; L259-E263 PolarHBondContact O-N 2.83Å; L259-V275 HydrophobicContact CD2-CB 4.49Å; L259-V275 HydrophobicContact CD2-CG1 3.99Å; L259-V275 HydrophobicContact CD2-CG2 4.27Å; L259-I314 HydrophobicContact CD1-CB 4.16Å; L259-I314 HydrophobicContact CD1-CG2 3.49Å; L259-I314 VanDerWaalsContact CD1-CG2 3.49Å; L259-I314 VanDerWaalsContact CD1-O 3.27Å; L259-I314 WeakPolarHBondContact CD1-O 3.26Å; L259-R317 HydrophobicContact CD1-CB 4.26Å; L259-R317 HydrophobicContact CD2-CB 4.45Å; L259-Q330 HydrophobicContact CD2-CG 4.27Å
260	T	96.6	Very high	94.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-66.9	-38	175.7	-54.7	0	0	0	0	111.4	T100 V102 L130 I132 R256 I257 A258 Y264 R317	T100-T260 HydrophobicContact CG2-CG2 3.6Å; V102-T260 HydrophobicContact CG1-CG2 4.45Å; L130-T260 HydrophobicContact CB-CG2 3.57Å; L130-T260 HydrophobicContact CD1-CG2 4.19Å; I132-T260 WeakPolarHBondContact CA-OG1 3.35Å; I132-T260 PolarHBondContact O-OG1 3.11Å; R256-T260 WeakPolarHBondContact O-CB 3.49Å; R256-T260 PolarHBondContact O-N 2.73Å; R256-T260 PolarHBondContact O-OG1 2.95Å; I257-T260 PolarHBondContact O-N 3.47Å; A258-T260 PolarHBondContact O-N 3.43Å; T260-Y264 WeakPolarHBondContact O-CB 3.47Å; T260-Y264 PolarHBondContact O-N 2.75Å; T260-R317 VanDerWaalsContact CA-NH2 3.3Å; T260-R317 PolarHBondContact OG1-NH2 3.48Å
261	T	95.6	Very high	94.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-43.1	171.6	-50.8	0	0	0	0	110.7	M106 F240 I257 A258 L259 Y264 L265	M106-T261 HydrophobicContact CB-CG2 4.46Å; M106-T261 HydrophobicContact CE-CG2 3.79Å; M106-T261 HydrophobicContact SD-CG2 3.93Å; F240-T261 HydrophobicContact CZ-CG2 4.41Å; F240-T261 WeakPolarHBondContact CZ-OG1 3Å; I257-T261 PolarHBondContact O-N 2.67Å; I257-T261 PolarHBondContact O-OG1 3.42Å; A258-T261 WeakPolarHBondContact O-CB 3.43Å; A258-T261 PolarHBondContact O-N 2.69Å; L259-T261 VanDerWaalsContact C-N 3.32Å; L259-T261 PolarHBondContact O-N 3.36Å; T261-Y264 PolarHBondContact O-N 3.23Å; T261-L265 HydrophobicContact CG2-CD1 4.2Å; T261-L265 VanDerWaalsContact O-CG 3.3Å; T261-L265 WeakPolarHBondContact O-CG 3.3Å; T261-L265 PolarHBondContact O-N 2.77Å
262	A	96	Very high	94.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.7	-40.6	177.2	0	0	0	0	0	112.8	V210 A258 L259 L265 A266 V273 V275	V210-A262 HydrophobicContact CB-CB 4.47Å; V210-A262 HydrophobicContact CG2-CB 4.15Å; A258-A262 WeakPolarHBondContact O-CB 3.34Å; A258-A262 PolarHBondContact O-N 2.97Å; L259-A262 WeakPolarHBondContact O-CB 3.42Å; L259-A262 PolarHBondContact O-N 3.21Å; A262-L265 PolarHBondContact O-N 3.24Å; A262-A266 WeakPolarHBondContact O-CB 3.42Å; A262-A266 PolarHBondContact O-N 2.69Å; A262-V273 HydrophobicContact CB-CG1 3.75Å; A262-V275 HydrophobicContact CB-CG2 3.49Å; A262-V275 VanDerWaalsContact CB-CG2 3.49Å
263	E	95.8	Very high	94.1	Very high	24 Å²	24	16.2 Å²	16.2	11%	0.112	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-40.1	176	-75.2	176.6	174	0	0	112.8	L259 Y267 R317 I328	L259-E263 WeakPolarHBondContact O-CB 3.29Å; L259-E263 VanDerWaalsContact O-CG 3.29Å; L259-E263 WeakPolarHBondContact O-CG 3.42Å; L259-E263 PolarHBondContact O-N 2.83Å; E263-Y267 HydrophobicContact CB-CD2 4Å; E263-Y267 HydrophobicContact CB-CE2 4.26Å; E263-Y267 HydrophobicContact CG-CD2 4.14Å; E263-Y267 HydrophobicContact CG-CE2 3.87Å; E263-Y267 WeakPolarHBondContact O-CA 3.47Å; E263-Y267 VanDerWaalsContact O-CB 3.3Å; E263-Y267 WeakPolarHBondContact O-CB 3.41Å; E263-Y267 PolarHBondContact O-N 3.22Å; E263-R317 WeakPolarHBondContact OE1-CB 3.42Å; E263-R317 WeakPolarHBondContact OE1-CG 3.3Å; E263-R317 IonicContact OE1-CZ 2.69Å; E263-R317 IonicContact OE1-NE 3.58Å; E263-R317 PolarHBondContact OE1-NE 2.86Å; E263-R317 IonicContact OE1-NH2 3.82Å; E263-R317 PolarHBondContact OE1-NH2 2.64Å; E263-R317 IonicContact OE2-CZ 2.96Å; E263-R317 IonicContact OE2-NE 2.81Å; E263-R317 IonicContact OE2-NH2 3.25Å; E263-R317 PolarHBondContact OE2-NH2 3.22Å; E263-I328 HydrophobicContact CB-CD1 4.19Å; E263-I328 HydrophobicContact CG-CD1 3.53Å
264	Y	95	Very high	94.1	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-61	-52.1	173.1	172.7	-96.3	0	0	0	110.8	V102 E104 E127 L130 T260 T261 A266 Q268 C269	V102-Y264 HydrophobicContact CB-CD1 3.99Å; V102-Y264 HydrophobicContact CB-CD2 3.98Å; V102-Y264 HydrophobicContact CB-CE1 4.41Å; V102-Y264 HydrophobicContact CB-CE2 4.4Å; V102-Y264 HydrophobicContact CB-CG 3.76Å; V102-Y264 HydrophobicContact CG1-CG 4.38Å; V102-Y264 HydrophobicContact CG2-CD1 4.34Å; V102-Y264 HydrophobicContact CG2-CD2 3.42Å; V102-Y264 VanDerWaalsContact CG2-CD2 3.42Å; V102-Y264 HydrophobicContact CG2-CE2 3.77Å; V102-Y264 HydrophobicContact CG2-CG 3.75Å; E104-Y264 HydrophobicContact CG-CE1 4.21Å; E127-Y264 PolarHBondContact OE1-OH 2.86Å; E127-Y264 PolarHBondContact OE2-OH 2.9Å; L130-Y264 HydrophobicContact CD1-CD2 4.17Å; T260-Y264 WeakPolarHBondContact O-CB 3.47Å; T260-Y264 PolarHBondContact O-N 2.75Å; T261-Y264 PolarHBondContact O-N 3.23Å; Y264-A266 PolarHBondContact O-N 2.87Å; Y264-Q268 HydrophobicContact CD2-CB 4.1Å; Y264-Q268 VanDerWaalsContact CD2-CD 3.45Å; Y264-Q268 HydrophobicContact CD2-CG 4.09Å; Y264-Q268 HydrophobicContact CE2-CB 4.24Å; Y264-Q268 WeakPolarHBondContact O-CA 3.35Å; Y264-Q268 VanDerWaalsContact O-CB 3.27Å; Y264-Q268 WeakPolarHBondContact O-CB 3.49Å; Y264-Q268 PolarHBondContact O-N 3.35Å; Y264-C269 VanDerWaalsContact CE1-SG 3.57Å; Y264-C269 PolarHBondContact O-N 2.83Å
265	L	93.9	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-41	179.2	-69.2	172	0	0	0	112.8	L107 V210 T261 A262 C269 E270 K271 V273	L107-L265 HydrophobicContact CD1-CD2 4.14Å; L107-L265 HydrophobicContact CD2-CD1 3.77Å; L107-L265 HydrophobicContact CD2-CD2 4.45Å; L107-L265 HydrophobicContact CG-CD1 4.39Å; L107-L265 HydrophobicContact CG-CD2 4.22Å; V210-L265 HydrophobicContact CG2-CD1 4.07Å; T261-L265 HydrophobicContact CG2-CD1 4.2Å; T261-L265 VanDerWaalsContact O-CG 3.3Å; T261-L265 WeakPolarHBondContact O-CG 3.3Å; T261-L265 PolarHBondContact O-N 2.77Å; A262-L265 PolarHBondContact O-N 3.24Å; L265-C269 CarbonylContact O-C 3.54Å; L265-C269 WeakPolarHBondContact O-CB 3.27Å; L265-C269 PolarHBondContact O-N 3.42Å; L265-E270 PolarHBondContact O-N 3.17Å; L265-K271 WeakPolarHBondContact O-CB 3.49Å; L265-K271 PolarHBondContact O-N 3.4Å; L265-V273 HydrophobicContact CB-CG2 3.75Å
266	A	93.2	Very high	94.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-77.2	-45.9	-177.2	0	0	0	0	0	112.6	A262 Y264 E270 K271 V273 G326 I328	A262-A266 WeakPolarHBondContact O-CB 3.42Å; A262-A266 PolarHBondContact O-N 2.69Å; Y264-A266 PolarHBondContact O-N 2.87Å; A266-E270 VanDerWaalsContact O-CA 3.31Å; A266-E270 WeakPolarHBondContact O-CA 3.36Å; A266-E270 PolarHBondContact O-N 3.44Å; A266-K271 VanDerWaalsContact CA-O 3.32Å; A266-K271 WeakPolarHBondContact CA-O 3.22Å; A266-V273 HydrophobicContact CB-CB 4.45Å; A266-V273 HydrophobicContact CB-CG2 3.84Å; A266-G326 WeakPolarHBondContact O-CA 3.21Å; A266-I328 HydrophobicContact CB-CD1 4.01Å; A266-I328 HydrophobicContact CB-CG1 3.42Å; A266-I328 VanDerWaalsContact CB-CG1 3.42Å
267	Y	93	Very high	94.1	Very high	19 Å²	19	15.4 Å²	15.4	8%	0.075	7%	0.073	C	C	.	.	H	α-helix	trans	-101.4	-16.6	-169.1	-49.6	-46.1	0	0	0	113.5	I137 E263 V321 R324 I328	I137-Y267 HydrophobicContact CD1-CE2 4.05Å; I137-Y267 WeakPolarHBondContact CD1-OH 3.41Å; E263-Y267 HydrophobicContact CB-CD2 4Å; E263-Y267 HydrophobicContact CB-CE2 4.26Å; E263-Y267 HydrophobicContact CG-CD2 4.14Å; E263-Y267 HydrophobicContact CG-CE2 3.87Å; E263-Y267 WeakPolarHBondContact O-CA 3.47Å; E263-Y267 VanDerWaalsContact O-CB 3.3Å; E263-Y267 WeakPolarHBondContact O-CB 3.41Å; E263-Y267 PolarHBondContact O-N 3.22Å; Y267-V321 HydrophobicContact CD1-CG2 3.75Å; Y267-V321 HydrophobicContact CE1-CG1 4.02Å; Y267-V321 HydrophobicContact CE1-CG2 3.93Å; Y267-V321 HydrophobicContact CG-CG2 4.45Å; Y267-R324 WeakPolarHBondContact O-CD 3.46Å; Y267-R324 PolarHBondContact O-NE 3.24Å; Y267-R324 PolarHBondContact O-NH1 3.48Å; Y267-I328 HydrophobicContact CD2-CD1 4.34Å; Y267-I328 HydrophobicContact CE1-CD1 4.35Å; Y267-I328 HydrophobicContact CE1-CG1 4.41Å; Y267-I328 HydrophobicContact CE2-CD1 3.64Å
268	Q	91.4	Very high	94.1	Very high	97 Å²	97	15.2 Å²	15.2	45%	0.453	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-40.1	172.8	-55.4	-168.5	13.2	0	0	111.6	Y264	Y264-Q268 HydrophobicContact CD2-CB 4.1Å; Y264-Q268 VanDerWaalsContact CD2-CD 3.45Å; Y264-Q268 HydrophobicContact CD2-CG 4.09Å; Y264-Q268 HydrophobicContact CE2-CB 4.24Å; Y264-Q268 WeakPolarHBondContact O-CA 3.35Å; Y264-Q268 VanDerWaalsContact O-CB 3.27Å; Y264-Q268 WeakPolarHBondContact O-CB 3.49Å; Y264-Q268 PolarHBondContact O-N 3.35Å
269	C	89.8	Confident	93.9	Very high	23 Å²	23	16.1 Å²	16.1	16%	0.155	8%	0.077	C	C	.	.	S	Bend	trans	-97.2	2.4	-179.2	-44.5	0	0	0	0	113.6	E104 Y264 L265 K271	E104-C269 HydrophobicContact CG-CB 4.3Å; E104-C269 WeakPolarHBondContact CG-SG 3.49Å; E104-C269 WeakPolarHBondContact OE1-CB 3.47Å; E104-C269 PolarHBondContact OE1-SG 3.31Å; Y264-C269 VanDerWaalsContact CE1-SG 3.57Å; Y264-C269 PolarHBondContact O-N 2.83Å; L265-C269 CarbonylContact O-C 3.54Å; L265-C269 WeakPolarHBondContact O-CB 3.27Å; L265-C269 PolarHBondContact O-N 3.42Å; C269-K271 HydrophobicContact CB-CG 4.38Å; C269-K271 PolarHBondContact O-N 2.84Å; C269-K271 VanDerWaalsContact O-N 3.15Å
270	E	89.9	Confident	93.9	Very high	103 Å²	103	16.1 Å²	16.1	48%	0.481	8%	0.077	S	C	.	.			trans	62.6	17.8	175.4	-76.1	-170.9	-162.6	0	0	116	L265 A266 S325	L265-E270 PolarHBondContact O-N 3.17Å; A266-E270 VanDerWaalsContact O-CA 3.31Å; A266-E270 WeakPolarHBondContact O-CA 3.36Å; A266-E270 PolarHBondContact O-N 3.44Å; E270-S325 WeakPolarHBondContact CB-OG 3.31Å; E270-S325 VanDerWaalsContact CD-OG 3.25Å; E270-S325 VanDerWaalsContact CG-OG 3.28Å; E270-S325 WeakPolarHBondContact CG-OG 3.39Å; E270-S325 PolarHBondContact OE2-OG 3.27Å
271	K	89.9	Confident	93.8	Very high	35 Å²	35	16.3 Å²	16.3	15%	0.152	8%	0.078	C	C	.	.			trans	-79.3	157.9	-179.8	-61.5	-169.7	179.4	-178.3	0	113.2	L107 A208 L265 A266 C269 V273 G326 S327	L107-K271 HydrophobicContact CD1-CD 4.22Å; A208-K271 HydrophobicContact CB-CB 4.49Å; A208-K271 HydrophobicContact CB-CD 4.33Å; L265-K271 WeakPolarHBondContact O-CB 3.49Å; L265-K271 PolarHBondContact O-N 3.4Å; A266-K271 VanDerWaalsContact CA-O 3.32Å; A266-K271 WeakPolarHBondContact CA-O 3.22Å; C269-K271 HydrophobicContact CB-CG 4.38Å; C269-K271 PolarHBondContact O-N 2.84Å; C269-K271 VanDerWaalsContact O-N 3.15Å; K271-V273 HydrophobicContact CB-CG2 4.41Å; K271-G326 WeakPolarHBondContact O-CA 3Å; K271-S327 PolarHBondContact O-N 3.14Å
272	H	91	Very high	93.8	Very high	8 Å²	8	17 Å²	17	4%	0.037	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.5	173.2	-58.9	2.3	0	0	0	107.5	R164 N206 F207 A208 S325	R164-H272 VanDerWaalsContact CZ-CG 3.49Å; R164-H272 PolarHBondContact NH1-NE2 3.35Å; R164-H272 PolarHBondContact NH2-CE1 3.06Å; R164-H272 VanDerWaalsContact NH2-CG 3.31Å; R164-H272 PolarHBondContact NH2-ND1 3.04Å; R164-H272 PolarHBondContact NH2-NE2 3.43Å; N206-H272 PolarHBondContact O-N 3.11Å; F207-H272 WeakPolarHBondContact CA-O 3.39Å; F207-H272 HydrophobicContact CD2-CB 3.87Å; F207-H272 HydrophobicContact CE2-CB 4.4Å; A208-H272 PolarHBondContact N-O 3.17Å; H272-S325 PolarHBondContact CE1-O 3.48Å
273	V	93.6	Very high	93.8	Very high	2 Å²	2	17 Å²	17	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.1	-171.5	-172.5	0	0	0	0	110.6	A208 V210 A262 L265 A266 K271 V275 S327 I328 T329	A208-V273 HydrophobicContact CB-CG2 4.39Å; A208-V273 CarbonylContact O-C 3.57Å; A208-V273 VanDerWaalsContact O-CA 3.29Å; A208-V273 WeakPolarHBondContact O-CA 3.27Å; V210-V273 HydrophobicContact CB-CG1 4.27Å; V210-V273 HydrophobicContact CG2-CG1 3.69Å; A262-V273 HydrophobicContact CB-CG1 3.75Å; L265-V273 HydrophobicContact CB-CG2 3.75Å; A266-V273 HydrophobicContact CB-CB 4.45Å; A266-V273 HydrophobicContact CB-CG2 3.84Å; K271-V273 HydrophobicContact CB-CG2 4.41Å; V273-V275 HydrophobicContact CG1-CG2 3.94Å; V273-S327 PolarHBondContact N-O 3.16Å; V273-I328 WeakPolarHBondContact O-CA 3.27Å; V273-T329 PolarHBondContact O-N 3.4Å
274	L	94	Very high	93.9	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.9	165.9	-179.8	64.9	0	0	0	109.2	I185 A189 F207 A208 I209 V210 I276 T329 I331	I185-L274 HydrophobicContact CG2-CD2 4.33Å; A189-L274 HydrophobicContact CB-CD2 3.93Å; F207-L274 HydrophobicContact CE1-CB 3.81Å; F207-L274 HydrophobicContact CE1-CD2 4.27Å; F207-L274 HydrophobicContact CZ-CB 3.67Å; F207-L274 HydrophobicContact CZ-CD2 4.27Å; A208-L274 PolarHBondContact O-N 3.38Å; I209-L274 WeakPolarHBondContact CA-O 3.28Å; V210-L274 PolarHBondContact N-O 3.22Å; L274-I276 HydrophobicContact CG-CG1 4.45Å; L274-T329 HydrophobicContact CD1-CG2 3.98Å; L274-I331 HydrophobicContact CD1-CD1 3.78Å; L274-I331 HydrophobicContact CD1-CG1 3.96Å
275	V	96.2	Very high	93.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.1	178.3	-174.5	0	0	0	0	109.4	V210 L259 A262 V273 L277 I328 T329 Q330 I331	V210-V275 HydrophobicContact CB-CG2 4.37Å; V210-V275 CarbonylContact O-C 3.6Å; V210-V275 VanDerWaalsContact O-CA 3.27Å; V210-V275 WeakPolarHBondContact O-CA 3.37Å; L259-V275 HydrophobicContact CD2-CB 4.49Å; L259-V275 HydrophobicContact CD2-CG1 3.99Å; L259-V275 HydrophobicContact CD2-CG2 4.27Å; A262-V275 HydrophobicContact CB-CG2 3.49Å; A262-V275 VanDerWaalsContact CB-CG2 3.49Å; V273-V275 HydrophobicContact CG1-CG2 3.94Å; V275-L277 HydrophobicContact CG1-CD2 3.68Å; V275-L277 HydrophobicContact CG1-CG 3.99Å; V275-I328 HydrophobicContact CG2-CG2 3.74Å; V275-T329 PolarHBondContact N-O 2.64Å; V275-Q330 HydrophobicContact CB-CG 4.24Å; V275-I331 PolarHBondContact O-N 3.43Å
276	I	95.5	Very high	93.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	170.3	-57.4	-160.7	0	0	0	108.8	A182 C186 V210 F211 A212 L274 I331 I333	A182-I276 HydrophobicContact CB-CD1 4.4Å; C186-I276 WeakPolarHBondContact SG-CD1 3.47Å; V210-I276 PolarHBondContact O-N 3.47Å; F211-I276 HydrophobicContact CD2-CB 3.78Å; F211-I276 HydrophobicContact CD2-CG2 3.88Å; F211-I276 HydrophobicContact CE2-CB 4.19Å; F211-I276 HydrophobicContact CE2-CG2 3.75Å; A212-I276 PolarHBondContact N-O 3.25Å; L274-I276 HydrophobicContact CG-CG1 4.45Å; I276-I331 WeakPolarHBondContact CA-O 3.46Å; I276-I331 HydrophobicContact CG1-CB 4.47Å; I276-I333 HydrophobicContact CG2-CD1 3.83Å; I276-I333 HydrophobicContact CG2-CG1 4.26Å
277	L	96.6	Very high	93.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.7	177.6	-55.2	177.8	0	0	0	108.3	A212 M214 P255 A258 V275 M280 I314 I331 P332 I333	A212-L277 HydrophobicContact CB-CD2 3.63Å; M214-L277 HydrophobicContact CE-CB 4.13Å; P255-L277 HydrophobicContact CB-CD1 4.39Å; P255-L277 HydrophobicContact CB-CD2 4.2Å; A258-L277 HydrophobicContact CB-CD2 4.44Å; V275-L277 HydrophobicContact CG1-CD2 3.68Å; V275-L277 HydrophobicContact CG1-CG 3.99Å; L277-M280 HydrophobicContact CB-SD 3.96Å; L277-M280 HydrophobicContact CD1-SD 4.18Å; L277-I314 HydrophobicContact CD1-CG2 3.69Å; L277-I331 PolarHBondContact N-O 2.96Å; L277-P332 HydrophobicContact CB-CB 4.28Å; L277-P332 CarbonylContact O-C 3.59Å; L277-P332 WeakPolarHBondContact O-CA 3.42Å; L277-I333 PolarHBondContact O-N 3.3Å
278	T	94.4	Very high	94	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.6	175.6	176.9	0	0	0	0	109	F211 A212 A213 M214	F211-T278 HydrophobicContact CE1-CG2 3.96Å; F211-T278 HydrophobicContact CE2-CG2 4Å; F211-T278 HydrophobicContact CZ-CG2 3.37Å; A212-T278 PolarHBondContact O-N 2.96Å; A213-T278 CarbonylContact C-O 3.6Å; A213-T278 VanDerWaalsContact C-O 3.26Å; A213-T278 WeakPolarHBondContact CA-O 3.36Å; A213-T278 HydrophobicContact CB-CG2 4.49Å; M214-T278 PolarHBondContact N-O 3.11Å
279	D	94.1	Very high	94	Very high	18 Å²	18	23.2 Å²	23.2	10%	0.096	11%	0.11	C	C	.	.			cis	-103.8	124.4	-11.4	-179.1	2	0	0	0	109.1	M214 S281 S282 Y283 L334 T335	M214-D279 PolarHBondContact O-N 3.43Å; D279-S281 PolarHBondContact O-N 3.27Å; D279-S281 WeakPolarHBondContact OD1-CB 3.47Å; D279-S281 PolarHBondContact OD1-N 3.45Å; D279-S282 WeakPolarHBondContact O-CB 3.38Å; D279-S282 PolarHBondContact O-N 3.45Å; D279-S282 VanDerWaalsContact O-N 3.08Å; D279-Y283 PolarHBondContact O-N 3.38Å; D279-L334 WeakPolarHBondContact OD1-CA 2.84Å; D279-T335 PolarHBondContact OD1-N 2.97Å; D279-T335 VanDerWaalsContact OD1-N 3.08Å; D279-T335 WeakPolarHBondContact OD2-CB 3.04Å; D279-T335 WeakPolarHBondContact OD2-CG2 3.33Å; D279-T335 PolarHBondContact OD2-OG1 3.01Å
280	M	96	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-19.7	177.5	-67.4	-58.4	-57.4	0	0	112.7	M214 L277 Y283 A284 L311 I314 Y315 P332 I333 L334	M214-M280 HydrophobicContact CE-SD 3.75Å; L277-M280 HydrophobicContact CB-SD 3.96Å; L277-M280 HydrophobicContact CD1-SD 4.18Å; M280-Y283 HydrophobicContact CE-CD1 4.01Å; M280-Y283 HydrophobicContact CE-CG 4.22Å; M280-Y283 WeakPolarHBondContact O-CB 3.43Å; M280-Y283 PolarHBondContact O-N 3.44Å; M280-A284 PolarHBondContact O-N 2.93Å; M280-L311 HydrophobicContact CE-CD2 3.54Å; M280-I314 HydrophobicContact CE-CD1 4.44Å; M280-Y315 HydrophobicContact CE-CE1 3.83Å; M280-Y315 WeakPolarHBondContact CE-OH 3.35Å; M280-Y315 HydrophobicContact CG-CE1 4.35Å; M280-Y315 WeakPolarHBondContact CG-OH 3.37Å; M280-Y315 HydrophobicContact SD-CE1 4.26Å; M280-P332 HydrophobicContact CG-CB 3.88Å; M280-I333 PolarHBondContact N-O 2.93Å; M280-L334 HydrophobicContact CB-CB 4.06Å
281	S	95.5	Very high	94.1	Very high	5 Å²	5	17.7 Å²	17.7	4%	0.035	8%	0.083	C	C	.	.	H	α-helix	trans	-68.7	-41.8	171.1	-67	0	0	0	0	111.8	D279 Y283 A284 E285 T335	D279-S281 PolarHBondContact O-N 3.27Å; D279-S281 WeakPolarHBondContact OD1-CB 3.47Å; D279-S281 PolarHBondContact OD1-N 3.45Å; S281-Y283 VanDerWaalsContact C-N 3.27Å; S281-Y283 PolarHBondContact O-N 2.75Å; S281-A284 PolarHBondContact O-N 3.28Å; S281-E285 WeakPolarHBondContact O-CG 3.48Å; S281-E285 PolarHBondContact O-N 3.44Å; S281-T335 WeakPolarHBondContact CB-O 3.35Å; S281-T335 PolarHBondContact OG-N 2.8Å; S281-T335 PolarHBondContact OG-O 2.9Å
282	S	95.3	Very high	94.2	Very high	16 Å²	16	19.3 Å²	19.3	11%	0.112	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-32.6	174.7	-71.9	0	0	0	0	112.5	M214 D279 A286	M214-S282 WeakPolarHBondContact O-CB 3.41Å; D279-S282 WeakPolarHBondContact O-CB 3.38Å; D279-S282 PolarHBondContact O-N 3.45Å; D279-S282 VanDerWaalsContact O-N 3.08Å; S282-A286 PolarHBondContact O-N 2.69Å; S282-A286 VanDerWaalsContact O-N 3.14Å
283	Y	96.4	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-51.2	170.1	175.6	-89.5	0	0	0	111.7	M214 R251 P255 R256 D279 M280 S281 E285 A286 L287 D310 L311 I314	M214-Y283 HydrophobicContact SD-CD2 4.16Å; R251-Y283 VanDerWaalsContact O-CD2 3.29Å; R251-Y283 WeakPolarHBondContact O-CD2 3.48Å; P255-Y283 HydrophobicContact CG-CD2 3.72Å; P255-Y283 HydrophobicContact CG-CE2 3.63Å; R256-Y283 PolarHBondContact NH1-OH 3.22Å; D279-Y283 PolarHBondContact O-N 3.38Å; M280-Y283 HydrophobicContact CE-CD1 4.01Å; M280-Y283 HydrophobicContact CE-CG 4.22Å; M280-Y283 WeakPolarHBondContact O-CB 3.43Å; M280-Y283 PolarHBondContact O-N 3.44Å; S281-Y283 VanDerWaalsContact C-N 3.27Å; S281-Y283 PolarHBondContact O-N 2.75Å; Y283-E285 VanDerWaalsContact C-N 3.3Å; Y283-E285 PolarHBondContact O-N 3.21Å; Y283-A286 WeakPolarHBondContact O-CB 3.38Å; Y283-A286 PolarHBondContact O-N 3.3Å; Y283-L287 PolarHBondContact O-N 2.69Å; Y283-D310 WeakPolarHBondContact CE1-OD2 3.48Å; Y283-D310 VanDerWaalsContact CZ-OD2 3.22Å; Y283-D310 VanDerWaalsContact OH-CG 3.29Å; Y283-D310 PolarHBondContact OH-OD1 2.98Å; Y283-D310 PolarHBondContact OH-OD2 3.16Å; Y283-L311 HydrophobicContact CD1-CD2 4.07Å; Y283-L311 HydrophobicContact CE1-CD2 4.1Å; Y283-I314 HydrophobicContact CD2-CD1 4.48Å; Y283-I314 HydrophobicContact CE1-CD1 3.94Å; Y283-I314 HydrophobicContact CE2-CD1 3.74Å; Y283-I314 VanDerWaalsContact CZ-CD1 3.46Å; Y283-I314 WeakPolarHBondContact OH-CD1 3.42Å
284	A	96.3	Very high	93.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-34.3	-179.2	0	0	0	0	0	112.6	M280 S281 L287 R288 F303 M307 I345	M280-A284 PolarHBondContact O-N 2.93Å; S281-A284 PolarHBondContact O-N 3.28Å; A284-L287 PolarHBondContact O-N 3.11Å; A284-R288 WeakPolarHBondContact O-CB 3.45Å; A284-R288 PolarHBondContact O-N 2.94Å; A284-F303 HydrophobicContact CB-CD1 4.34Å; A284-F303 HydrophobicContact CB-CE1 3.92Å; A284-M307 HydrophobicContact CB-SD 4.15Å; A284-I345 HydrophobicContact CB-CD1 3.78Å; A284-I345 HydrophobicContact CB-CG1 3.82Å
285	E	94.8	Very high	93.5	Very high	87 Å²	87	31.7 Å²	31.7	41%	0.407	16%	0.161	S	C	.	.	H	α-helix	trans	-66.7	-41.8	173.3	-73.5	-171	166.1	0	0	112.7	S281 Y283 L287 R288 E289	S281-E285 WeakPolarHBondContact O-CG 3.48Å; S281-E285 PolarHBondContact O-N 3.44Å; Y283-E285 VanDerWaalsContact C-N 3.3Å; Y283-E285 PolarHBondContact O-N 3.21Å; E285-L287 VanDerWaalsContact C-N 3.32Å; E285-R288 WeakPolarHBondContact O-CB 3.49Å; E285-R288 PolarHBondContact O-N 3Å; E285-E289 PolarHBondContact O-N 3.22Å
286	A	93.7	Very high	93.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-42.2	173.2	0	0	0	0	0	111.1	T248 R251 I252 S282 Y283 R288 E289 V290	T248-A286 WeakPolarHBondContact O-CB 3.29Å; R251-A286 HydrophobicContact CB-CB 4.11Å; I252-A286 HydrophobicContact CG1-CB 4.32Å; S282-A286 PolarHBondContact O-N 2.69Å; S282-A286 VanDerWaalsContact O-N 3.14Å; Y283-A286 WeakPolarHBondContact O-CB 3.38Å; Y283-A286 PolarHBondContact O-N 3.3Å; A286-R288 VanDerWaalsContact C-N 3.31Å; A286-R288 PolarHBondContact O-N 3.39Å; A286-E289 WeakPolarHBondContact O-CB 3.25Å; A286-E289 PolarHBondContact O-N 2.82Å; A286-V290 WeakPolarHBondContact O-CG2 3.39Å; A286-V290 PolarHBondContact O-N 2.79Å; A286-V290 VanDerWaalsContact O-N 3.07Å
287	L	94.4	Very high	93.2	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-40.1	175.6	-163.2	72	0	0	0	111.9	I252 Y283 A284 E285 V290 S291 P304 Y306 M307 D310	I252-L287 HydrophobicContact CD1-CD1 4.48Å; Y283-L287 PolarHBondContact O-N 2.69Å; A284-L287 PolarHBondContact O-N 3.11Å; E285-L287 VanDerWaalsContact C-N 3.32Å; L287-V290 PolarHBondContact O-N 2.81Å; L287-S291 WeakPolarHBondContact O-CB 3.2Å; L287-S291 PolarHBondContact O-N 2.99Å; L287-P304 HydrophobicContact CD2-CG 3.7Å; L287-P304 HydrophobicContact CG-CG 3.8Å; L287-Y306 HydrophobicContact CD1-CE2 4.17Å; L287-Y306 HydrophobicContact CD2-CE2 4.25Å; L287-Y306 HydrophobicContact CG-CE2 4.25Å; L287-M307 HydrophobicContact CD2-CB 4.46Å; L287-M307 HydrophobicContact CD2-CG 4.36Å; L287-D310 HydrophobicContact CD2-CB 4.13Å; L287-D310 WeakPolarHBondContact CD2-OD2 3.32Å
288	R	94.8	Very high	93.2	Very high	91 Å²	91	44.7 Å²	44.7	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-43.8	173.7	-179.3	-178.7	69.4	-175.1	-4.9	112.3	A284 E285 A286 V290 S291 A292 G302 F303	A284-R288 WeakPolarHBondContact O-CB 3.45Å; A284-R288 PolarHBondContact O-N 2.94Å; E285-R288 WeakPolarHBondContact O-CB 3.49Å; E285-R288 PolarHBondContact O-N 3Å; A286-R288 VanDerWaalsContact C-N 3.31Å; A286-R288 PolarHBondContact O-N 3.39Å; R288-V290 VanDerWaalsContact C-N 3.32Å; R288-V290 PolarHBondContact O-N 3.1Å; R288-S291 PolarHBondContact O-N 3.33Å; R288-A292 WeakPolarHBondContact O-CB 3.42Å; R288-A292 PolarHBondContact O-N 2.88Å; R288-G302 WeakPolarHBondContact CG-O 3.31Å; R288-F303 HydrophobicContact CB-CD1 3.96Å; R288-F303 HydrophobicContact CB-CE1 4.24Å
289	E	91.6	Very high	93.1	Very high	88 Å²	88	46.2 Å²	46.2	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-44.1	178.2	-173.9	-175.8	174.8	0	0	111.3	T248 E285 A286 A292 A293	T248-E289 VanDerWaalsContact CB-OE2 3.25Å; T248-E289 WeakPolarHBondContact CB-OE2 3.33Å; T248-E289 WeakPolarHBondContact CG2-OE2 3.47Å; T248-E289 PolarHBondContact OG1-OE2 2.86Å; E285-E289 PolarHBondContact O-N 3.22Å; A286-E289 WeakPolarHBondContact O-CB 3.25Å; A286-E289 PolarHBondContact O-N 2.82Å; E289-A292 PolarHBondContact O-N 3.24Å; E289-A293 WeakPolarHBondContact O-CB 3.33Å; E289-A293 PolarHBondContact O-N 2.94Å
290	V	89.3	Confident	93.1	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-44.3	178.1	176.9	0	0	0	0	111.6	L66 Q76 I249 I252 A286 L287 R288 A292 A293 R294	L66-V290 HydrophobicContact CD1-CG1 4.4Å; Q76-V290 VanDerWaalsContact NE2-CG1 3.35Å; I249-V290 HydrophobicContact CD1-CG2 3.39Å; I252-V290 HydrophobicContact CD1-CB 4.38Å; I252-V290 HydrophobicContact CD1-CG2 3.62Å; A286-V290 WeakPolarHBondContact O-CG2 3.39Å; A286-V290 PolarHBondContact O-N 2.79Å; A286-V290 VanDerWaalsContact O-N 3.07Å; L287-V290 PolarHBondContact O-N 2.81Å; R288-V290 VanDerWaalsContact C-N 3.32Å; R288-V290 PolarHBondContact O-N 3.1Å; V290-A292 PolarHBondContact O-N 3.27Å; V290-A293 PolarHBondContact O-N 3.44Å; V290-R294 WeakPolarHBondContact O-CG 3.21Å; V290-R294 PolarHBondContact O-N 2.98Å; V290-R294 VanDerWaalsContact O-N 3.16Å
291	S	92.2	Very high	92.9	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-42.5	177.2	-174.1	0	0	0	0	112	L287 R288 R294 E295 E296	L287-S291 WeakPolarHBondContact O-CB 3.2Å; L287-S291 PolarHBondContact O-N 2.99Å; R288-S291 PolarHBondContact O-N 3.33Å; S291-R294 PolarHBondContact O-N 3.45Å; S291-E295 PolarHBondContact O-N 3.15Å; S291-E296 WeakPolarHBondContact CA-OE2 3.42Å; S291-E296 VanDerWaalsContact CB-OE2 3.27Å; S291-E296 WeakPolarHBondContact CB-OE2 3.2Å; S291-E296 PolarHBondContact O-N 3.39Å; S291-E296 PolarHBondContact OG-OE2 3.21Å
292	A	91.9	Very high	92.8	Very high	69 Å²	69	61 Å²	61	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-40.2	176.6	0	0	0	0	0	112.4	R288 E289 V290 R294 E295	R288-A292 WeakPolarHBondContact O-CB 3.42Å; R288-A292 PolarHBondContact O-N 2.88Å; E289-A292 PolarHBondContact O-N 3.24Å; V290-A292 PolarHBondContact O-N 3.27Å; A292-R294 PolarHBondContact O-N 2.9Å; A292-E295 PolarHBondContact O-N 3.47Å; A292-E295 VanDerWaalsContact O-N 3.08Å
293	A	88.7	Confident	92.9	Very high	23 Å²	23	60.4 Å²	60.4	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-23.2	175.5	0	0	0	0	0	113.5	P35 E289 V290 E295	P35-A293 HydrophobicContact CG-CB 3.86Å; E289-A293 WeakPolarHBondContact O-CB 3.33Å; E289-A293 PolarHBondContact O-N 2.94Å; V290-A293 PolarHBondContact O-N 3.44Å; A293-E295 VanDerWaalsContact C-N 3.35Å
294	R	86.4	Confident	92.8	Very high	79 Å²	79	60.7 Å²	60.7	30%	0.298	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.3	175.1	-68.5	176.2	74	-155.5	-7.7	113.6	L36 V290 S291 A292 E296	L36-R294 HydrophobicContact CD1-CG 3.88Å; V290-R294 WeakPolarHBondContact O-CG 3.21Å; V290-R294 PolarHBondContact O-N 2.98Å; V290-R294 VanDerWaalsContact O-N 3.16Å; S291-R294 PolarHBondContact O-N 3.45Å; A292-R294 PolarHBondContact O-N 2.9Å; R294-E296 HydrophobicContact CB-CG 3.87Å; R294-E296 IonicContact CZ-OE1 3.87Å; R294-E296 IonicContact NE-OE1 3.05Å; R294-E296 IonicContact NH1-OE1 3.7Å; R294-E296 PolarHBondContact NH1-OE1 3.25Å; R294-E296 IonicContact NH2-OE1 3.82Å; R294-E296 PolarHBondContact NH2-OE1 3.48Å; R294-E296 PolarHBondContact O-N 2.9Å
295	E	89.5	Confident	92.7	Very high	170 Å²	170	63.8 Å²	63.8	79%	0.794	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.6	-174.7	-56.9	-174.8	163.7	0	0	112.8	S291 A292 A293	S291-E295 PolarHBondContact O-N 3.15Å; A292-E295 PolarHBondContact O-N 3.47Å; A292-E295 VanDerWaalsContact O-N 3.08Å; A293-E295 VanDerWaalsContact C-N 3.35Å
296	E	91	Very high	92.8	Very high	53 Å²	53	63.2 Å²	63.2	25%	0.248	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-70.1	156.5	175.8	-69.9	179.1	148.3	0	0	111.5	S291 R294 P298 Y306	S291-E296 WeakPolarHBondContact CA-OE2 3.42Å; S291-E296 VanDerWaalsContact CB-OE2 3.27Å; S291-E296 WeakPolarHBondContact CB-OE2 3.2Å; S291-E296 PolarHBondContact O-N 3.39Å; S291-E296 PolarHBondContact OG-OE2 3.21Å; R294-E296 HydrophobicContact CB-CG 3.87Å; R294-E296 IonicContact CZ-OE1 3.87Å; R294-E296 IonicContact NE-OE1 3.05Å; R294-E296 IonicContact NH1-OE1 3.7Å; R294-E296 PolarHBondContact NH1-OE1 3.25Å; R294-E296 IonicContact NH2-OE1 3.82Å; R294-E296 PolarHBondContact NH2-OE1 3.48Å; R294-E296 PolarHBondContact O-N 2.9Å; E296-P298 VanDerWaalsContact O-CD 3.26Å; E296-P298 WeakPolarHBondContact O-CD 3.31Å; E296-Y306 WeakPolarHBondContact OE2-CE1 3.18Å; E296-Y306 PolarHBondContact OE2-OH 2.88Å
297	V	95.1	Very high	92.9	Very high	132 Å²	132	63.4 Å²	63.4	80%	0.8	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-66.4	117.2	174.5	-179.4	0	0	0	0	109.1
298	P	95.1	Very high	93	Very high	87 Å²	87	68.2 Å²	68.2	57%	0.565	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-74	146.3	-176.9	29.5	-34.1	0	0	0	111.6	E296	E296-P298 VanDerWaalsContact O-CD 3.26Å; E296-P298 WeakPolarHBondContact O-CD 3.31Å
299	G	94.1	Very high	93.1	Very high	34 Å²	34	68.5 Å²	68.5	35%	0.351	37%	0.373	S	S	.	.			trans	-88.5	-152.5	169.3	0	0	0	0	0	113	R301 G302 F303	G299-R301 PolarHBondContact O-N 2.98Å; G299-G302 PolarHBondContact O-N 3.5Å; G299-F303 WeakPolarHBondContact CA-O 3.47Å; G299-F303 PolarHBondContact N-O 3.47Å
300	R	93.3	Very high	93.3	Very high	172 Å²	172	65.4 Å²	65.4	65%	0.649	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.1	132.5	-179.7	-64.2	178.7	80.5	-163.8	3	110.5	G302 F303 P344 D347	R300-G302 PolarHBondContact O-N 3.29Å; R300-G302 VanDerWaalsContact O-N 3.16Å; R300-F303 WeakPolarHBondContact O-CD2 3.41Å; R300-F303 PolarHBondContact O-N 2.95Å; R300-P344 HydrophobicContact CB-CG 4.05Å; R300-D347 IonicContact NH1-OD2 3.62Å
301	R	92.4	Very high	93.7	Very high	129 Å²	129	65.1 Å²	65.1	49%	0.487	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	54.3	24.6	-177.6	-56	-166.1	-173.9	-172	7.3	114.9	G299 F303 D340 H343 P344	G299-R301 PolarHBondContact O-N 2.98Å; R301-F303 VanDerWaalsContact C-N 3.34Å; R301-F303 HydrophobicContact CB-CD2 4.15Å; R301-F303 HydrophobicContact CB-CE2 4.22Å; R301-F303 PolarHBondContact O-N 3.32Å; R301-D340 IonicContact CZ-OD2 2.67Å; R301-D340 IonicContact NH1-OD2 2.86Å; R301-D340 PolarHBondContact NH1-OD2 2.89Å; R301-D340 IonicContact NH2-OD2 3.02Å; R301-D340 PolarHBondContact NH2-OD2 3.22Å; R301-H343 PolarHBondContact NH1-CD2 3.15Å; R301-P344 HydrophobicContact CB-CG 4.24Å; R301-P344 HydrophobicContact CG-CG 4.04Å
302	G	93.8	Very high	93.9	Very high	32 Å²	32	66 Å²	66	33%	0.33	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	86.3	-5.2	177.1	0	0	0	0	0	115.3	R288 G299 R300	R288-G302 WeakPolarHBondContact CG-O 3.31Å; G299-G302 PolarHBondContact O-N 3.5Å; R300-G302 PolarHBondContact O-N 3.29Å; R300-G302 VanDerWaalsContact O-N 3.16Å
303	F	95.7	Very high	94.1	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.018	35%	0.354	C	S	.	.			trans	-68.8	153.2	174.6	-68.5	-79.2	0	0	0	111.5	A284 R288 G299 R300 R301 M307 H343 P344 I345	A284-F303 HydrophobicContact CB-CD1 4.34Å; A284-F303 HydrophobicContact CB-CE1 3.92Å; R288-F303 HydrophobicContact CB-CD1 3.96Å; R288-F303 HydrophobicContact CB-CE1 4.24Å; G299-F303 WeakPolarHBondContact CA-O 3.47Å; G299-F303 PolarHBondContact N-O 3.47Å; R300-F303 WeakPolarHBondContact O-CD2 3.41Å; R300-F303 PolarHBondContact O-N 2.95Å; R301-F303 VanDerWaalsContact C-N 3.34Å; R301-F303 HydrophobicContact CB-CD2 4.15Å; R301-F303 HydrophobicContact CB-CE2 4.22Å; R301-F303 PolarHBondContact O-N 3.32Å; F303-M307 HydrophobicContact CB-CE 3.78Å; F303-M307 HydrophobicContact CB-SD 3.71Å; F303-M307 HydrophobicContact CD1-CE 4.25Å; F303-M307 HydrophobicContact CD1-SD 3.52Å; F303-M307 VanDerWaalsContact CD1-SD 3.52Å; F303-M307 HydrophobicContact CD2-CE 4.29Å; F303-M307 HydrophobicContact CE1-SD 4.33Å; F303-M307 HydrophobicContact CG-CE 3.85Å; F303-M307 HydrophobicContact CG-SD 3.69Å; F303-H343 AromaticContact CE2-CE1 3.41Å; F303-H343 VanDerWaalsContact CE2-CE1 3.41Å; F303-H343 WeakPolarHBondContact CE2-CE1 3.46Å; F303-H343 AromaticContact CE2-NE2 3.83Å; F303-H343 AromaticContact CZ-CE1 3.67Å; F303-P344 HydrophobicContact CD2-CB 4.22Å; F303-P344 HydrophobicContact CD2-CG 4.31Å; F303-I345 HydrophobicContact CE1-CD1 4.08Å; F303-I345 HydrophobicContact CE1-CG1 4.28Å; F303-I345 HydrophobicContact CZ-CD1 3.75Å; F303-I345 HydrophobicContact CZ-CG1 4.06Å
304	P	95.2	Very high	94.5	Very high	5 Å²	5	64 Å²	64	3%	0.032	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-62.7	147.7	178.3	19.1	-27.1	0	0	0	112.4	L287 Y306 M307	L287-P304 HydrophobicContact CD2-CG 3.7Å; L287-P304 HydrophobicContact CG-CG 3.8Å; P304-Y306 HydrophobicContact CB-CD1 3.91Å; P304-Y306 HydrophobicContact CB-CD2 4.06Å; P304-Y306 HydrophobicContact CB-CE1 3.51Å; P304-Y306 HydrophobicContact CB-CE2 3.68Å; P304-Y306 HydrophobicContact CB-CG 4.17Å; P304-Y306 HydrophobicContact CG-CD2 4.35Å; P304-Y306 HydrophobicContact CG-CE2 3.87Å; P304-Y306 PolarHBondContact O-N 3.22Å; P304-M307 HydrophobicContact CG-CB 4.31Å; P304-M307 WeakPolarHBondContact O-CB 3.35Å; P304-M307 PolarHBondContact O-N 3.5Å; P304-M307 VanDerWaalsContact O-N 3.12Å
305	G	94.7	Very high	95	Very high	66 Å²	66	60.3 Å²	60.3	68%	0.68	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	176.6	0	0	0	0	0	114.2
306	Y	95.3	Very high	95.2	Very high	75 Å²	75	55.3 Å²	55.3	29%	0.294	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.3	177.9	54.1	-96.9	0	0	0	114.1	L287 E296 P304 Y308 T309 D310	L287-Y306 HydrophobicContact CD1-CE2 4.17Å; L287-Y306 HydrophobicContact CD2-CE2 4.25Å; L287-Y306 HydrophobicContact CG-CE2 4.25Å; E296-Y306 WeakPolarHBondContact OE2-CE1 3.18Å; E296-Y306 PolarHBondContact OE2-OH 2.88Å; P304-Y306 HydrophobicContact CB-CD1 3.91Å; P304-Y306 HydrophobicContact CB-CD2 4.06Å; P304-Y306 HydrophobicContact CB-CE1 3.51Å; P304-Y306 HydrophobicContact CB-CE2 3.68Å; P304-Y306 HydrophobicContact CB-CG 4.17Å; P304-Y306 HydrophobicContact CG-CD2 4.35Å; P304-Y306 HydrophobicContact CG-CE2 3.87Å; P304-Y306 PolarHBondContact O-N 3.22Å; Y306-Y308 PolarHBondContact O-N 2.89Å; Y306-Y308 VanDerWaalsContact O-N 3.15Å; Y306-T309 PolarHBondContact O-N 2.93Å; Y306-T309 VanDerWaalsContact O-N 3.08Å; Y306-D310 HydrophobicContact CD2-CB 4.36Å; Y306-D310 WeakPolarHBondContact O-CB 3.02Å; Y306-D310 PolarHBondContact O-N 3.33Å
307	M	96	Very high	95.4	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-55.5	-34.8	-179.2	-175.2	169.3	71.5	0	0	112.8	A284 L287 F303 P304 L311 P344 L348	A284-M307 HydrophobicContact CB-SD 4.15Å; L287-M307 HydrophobicContact CD2-CB 4.46Å; L287-M307 HydrophobicContact CD2-CG 4.36Å; F303-M307 HydrophobicContact CB-CE 3.78Å; F303-M307 HydrophobicContact CB-SD 3.71Å; F303-M307 HydrophobicContact CD1-CE 4.25Å; F303-M307 HydrophobicContact CD1-SD 3.52Å; F303-M307 VanDerWaalsContact CD1-SD 3.52Å; F303-M307 HydrophobicContact CD2-CE 4.29Å; F303-M307 HydrophobicContact CE1-SD 4.33Å; F303-M307 HydrophobicContact CG-CE 3.85Å; F303-M307 HydrophobicContact CG-SD 3.69Å; P304-M307 HydrophobicContact CG-CB 4.31Å; P304-M307 WeakPolarHBondContact O-CB 3.35Å; P304-M307 PolarHBondContact O-N 3.5Å; P304-M307 VanDerWaalsContact O-N 3.12Å; M307-L311 HydrophobicContact CG-CD1 4.04Å; M307-L311 HydrophobicContact CG-CG 4.29Å; M307-L311 WeakPolarHBondContact O-CB 3.37Å; M307-L311 WeakPolarHBondContact O-CG 3.4Å; M307-L311 PolarHBondContact O-N 3.19Å; M307-P344 HydrophobicContact CE-CB 3.67Å; M307-L348 HydrophobicContact CB-CD1 4.12Å; M307-L348 HydrophobicContact CE-CD1 3.42Å; M307-L348 VanDerWaalsContact CE-CD1 3.42Å; M307-L348 HydrophobicContact CE-CG 4.36Å; M307-L348 HydrophobicContact CG-CD1 4.09Å
308	Y	96.9	Very high	95.4	Very high	109 Å²	109	47.5 Å²	47.5	43%	0.427	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-51.6	175.5	176.2	-98.2	0	0	0	111.8	Y306 D310 A312 L348 I352	Y306-Y308 PolarHBondContact O-N 2.89Å; Y306-Y308 VanDerWaalsContact O-N 3.15Å; Y308-D310 VanDerWaalsContact C-N 3.32Å; Y308-D310 PolarHBondContact O-N 2.92Å; Y308-A312 VanDerWaalsContact O-CB 3.29Å; Y308-A312 WeakPolarHBondContact O-CB 3.09Å; Y308-A312 PolarHBondContact O-N 3.36Å; Y308-L348 HydrophobicContact CD2-CD2 4.03Å; Y308-I352 HydrophobicContact CD2-CD1 3.97Å; Y308-I352 HydrophobicContact CD2-CG1 3.94Å; Y308-I352 HydrophobicContact CE2-CD1 4.07Å; Y308-I352 HydrophobicContact CE2-CG1 3.51Å
309	T	96.7	Very high	95.3	Very high	98 Å²	98	43.8 Å²	43.8	60%	0.601	24%	0.24	S	C	*	.	H	α-helix	trans	-65	-38.8	-179.5	-51.6	0	0	0	0	111.5	Y306 A312 S313	Y306-T309 PolarHBondContact O-N 2.93Å; Y306-T309 VanDerWaalsContact O-N 3.08Å; T309-A312 PolarHBondContact O-N 2.82Å; T309-S313 PolarHBondContact O-N 3.23Å
310	D	96	Very high	95.2	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-46.4	-179.8	-172.8	70.4	0	0	0	111.8	R256 Y283 L287 Y306 Y308 A312 S313	R256-D310 IonicContact CZ-OD1 2.73Å; R256-D310 IonicContact NH2-OD1 3.05Å; R256-D310 PolarHBondContact NH2-OD1 3.03Å; Y283-D310 WeakPolarHBondContact CE1-OD2 3.48Å; Y283-D310 VanDerWaalsContact CZ-OD2 3.22Å; Y283-D310 VanDerWaalsContact OH-CG 3.29Å; Y283-D310 PolarHBondContact OH-OD1 2.98Å; Y283-D310 PolarHBondContact OH-OD2 3.16Å; L287-D310 HydrophobicContact CD2-CB 4.13Å; L287-D310 WeakPolarHBondContact CD2-OD2 3.32Å; Y306-D310 HydrophobicContact CD2-CB 4.36Å; Y306-D310 WeakPolarHBondContact O-CB 3.02Å; Y306-D310 PolarHBondContact O-N 3.33Å; Y308-D310 VanDerWaalsContact C-N 3.32Å; Y308-D310 PolarHBondContact O-N 2.92Å; D310-A312 VanDerWaalsContact C-N 3.3Å; D310-A312 PolarHBondContact O-N 3.41Å; D310-S313 WeakPolarHBondContact O-CB 3.41Å; D310-S313 PolarHBondContact O-N 2.73Å; D310-S313 PolarHBondContact O-OG 3.46Å
311	L	97.1	Very high	95.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-37.7	171.1	-70.4	176.4	0	0	0	112	M280 Y283 M307 S313 I314 Y315 L348 I352	M280-L311 HydrophobicContact CE-CD2 3.54Å; Y283-L311 HydrophobicContact CD1-CD2 4.07Å; Y283-L311 HydrophobicContact CE1-CD2 4.1Å; M307-L311 HydrophobicContact CG-CD1 4.04Å; M307-L311 HydrophobicContact CG-CG 4.29Å; M307-L311 WeakPolarHBondContact O-CB 3.37Å; M307-L311 WeakPolarHBondContact O-CG 3.4Å; M307-L311 PolarHBondContact O-N 3.19Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 2.9Å; L311-I314 PolarHBondContact O-N 2.87Å; L311-Y315 HydrophobicContact CB-CD2 4.2Å; L311-Y315 HydrophobicContact CB-CE2 3.93Å; L311-Y315 HydrophobicContact CD2-CE2 4.25Å; L311-Y315 HydrophobicContact CG-CE2 4.48Å; L311-Y315 WeakPolarHBondContact O-CD2 3.49Å; L311-Y315 PolarHBondContact O-N 3.15Å; L311-L348 HydrophobicContact CD1-CB 4.32Å; L311-I352 HydrophobicContact CB-CD1 3.73Å
312	A	96.7	Very high	95.1	Very high	20 Å²	20	36.7 Å²	36.7	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-36.8	178.3	0	0	0	0	0	112.1	Y308 T309 D310 I314 Y315 E316 I352	Y308-A312 VanDerWaalsContact O-CB 3.29Å; Y308-A312 WeakPolarHBondContact O-CB 3.09Å; Y308-A312 PolarHBondContact O-N 3.36Å; T309-A312 PolarHBondContact O-N 2.82Å; D310-A312 VanDerWaalsContact C-N 3.3Å; D310-A312 PolarHBondContact O-N 3.41Å; A312-I314 PolarHBondContact O-N 3.3Å; A312-Y315 PolarHBondContact O-N 2.73Å; A312-E316 VanDerWaalsContact O-CB 3.28Å; A312-E316 WeakPolarHBondContact O-CB 3.37Å; A312-E316 PolarHBondContact O-N 2.82Å; A312-I352 HydrophobicContact CB-CD1 4.12Å; A312-I352 HydrophobicContact CB-CG1 4.35Å; A312-I352 HydrophobicContact CB-CG2 4.28Å
313	S	96	Very high	94.9	Very high	51 Å²	51	38.8 Å²	38.8	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-26.6	176.4	78.6	0	0	0	0	113.4	T309 D310 L311 R317	T309-S313 PolarHBondContact O-N 3.23Å; D310-S313 WeakPolarHBondContact O-CB 3.41Å; D310-S313 PolarHBondContact O-N 2.73Å; D310-S313 PolarHBondContact O-OG 3.46Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 2.9Å; S313-R317 WeakPolarHBondContact O-CD 3.43Å; S313-R317 WeakPolarHBondContact O-CG 3.47Å
314	I	96.9	Very high	94.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-86.9	-54.2	177.2	-64.8	174.8	0	0	0	109.7	P255 L259 L277 M280 Y283 L311 A312 E316 R317 Q330	P255-I314 HydrophobicContact CB-CD1 4.21Å; P255-I314 HydrophobicContact CB-CG2 4.33Å; P255-I314 HydrophobicContact CG-CD1 3.84Å; L259-I314 HydrophobicContact CD1-CB 4.16Å; L259-I314 HydrophobicContact CD1-CG2 3.49Å; L259-I314 VanDerWaalsContact CD1-CG2 3.49Å; L259-I314 VanDerWaalsContact CD1-O 3.27Å; L259-I314 WeakPolarHBondContact CD1-O 3.26Å; L277-I314 HydrophobicContact CD1-CG2 3.69Å; M280-I314 HydrophobicContact CE-CD1 4.44Å; Y283-I314 HydrophobicContact CD2-CD1 4.48Å; Y283-I314 HydrophobicContact CE1-CD1 3.94Å; Y283-I314 HydrophobicContact CE2-CD1 3.74Å; Y283-I314 VanDerWaalsContact CZ-CD1 3.46Å; Y283-I314 WeakPolarHBondContact OH-CD1 3.42Å; L311-I314 PolarHBondContact O-N 2.87Å; A312-I314 PolarHBondContact O-N 3.3Å; I314-E316 PolarHBondContact O-N 2.79Å; I314-R317 WeakPolarHBondContact O-CB 3.18Å; I314-R317 PolarHBondContact O-N 2.91Å; I314-Q330 PolarHBondContact O-NE2 3.42Å; I314-Q330 VanDerWaalsContact O-NE2 3.11Å
315	Y	96.8	Very high	94.2	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.4	-31.8	-172.1	-62	-32.9	0	0	0	113.8	K167 M280 L311 A312 R317 Q330 P332 T349 I352 T353	K167-Y315 WeakPolarHBondContact CD-O 3.49Å; M280-Y315 HydrophobicContact CE-CE1 3.83Å; M280-Y315 WeakPolarHBondContact CE-OH 3.35Å; M280-Y315 HydrophobicContact CG-CE1 4.35Å; M280-Y315 WeakPolarHBondContact CG-OH 3.37Å; M280-Y315 HydrophobicContact SD-CE1 4.26Å; L311-Y315 HydrophobicContact CB-CD2 4.2Å; L311-Y315 HydrophobicContact CB-CE2 3.93Å; L311-Y315 HydrophobicContact CD2-CE2 4.25Å; L311-Y315 HydrophobicContact CG-CE2 4.48Å; L311-Y315 WeakPolarHBondContact O-CD2 3.49Å; L311-Y315 PolarHBondContact O-N 3.15Å; A312-Y315 PolarHBondContact O-N 2.73Å; Y315-R317 PolarHBondContact O-N 3.12Å; Y315-Q330 PolarHBondContact O-NE2 3.41Å; Y315-P332 HydrophobicContact CD1-CB 4.35Å; Y315-P332 HydrophobicContact CD1-CG 4.04Å; Y315-P332 HydrophobicContact CE1-CB 3.58Å; Y315-P332 HydrophobicContact CE1-CG 3.62Å; Y315-T349 HydrophobicContact CE2-CG2 3.65Å; Y315-T349 PolarHBondContact OH-OG1 3.41Å; Y315-I352 HydrophobicContact CD2-CB 4.13Å; Y315-I352 HydrophobicContact CD2-CD1 4.16Å; Y315-I352 HydrophobicContact CD2-CG2 3.84Å; Y315-I352 HydrophobicContact CG-CG2 4.34Å; Y315-T353 HydrophobicContact CD2-CG2 3.93Å; Y315-T353 HydrophobicContact CE2-CG2 4.3Å; Y315-T353 HydrophobicContact CG-CG2 4.09Å
316	E	95.5	Very high	93.9	Very high	66 Å²	66	42.8 Å²	42.8	31%	0.308	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.2	-179.8	-75.6	-64.1	153.9	0	0	114.7	R142 K167 A312 I314 A318	R142-E316 IonicContact CZ-OE2 3.87Å; R142-E316 IonicContact NH1-OE2 2.77Å; R142-E316 PolarHBondContact NH1-OE2 3.31Å; R142-E316 PolarHBondContact NH2-O 2.74Å; R142-E316 IonicContact NH2-OE2 2.74Å; K167-E316 WeakPolarHBondContact CE-OE1 3.38Å; K167-E316 VanDerWaalsContact NZ-CD 3.27Å; K167-E316 IonicContact NZ-OE1 3.75Å; K167-E316 PolarHBondContact NZ-OE1 3.12Å; K167-E316 IonicContact NZ-OE2 3.51Å; K167-E316 PolarHBondContact NZ-OE2 3.22Å; A312-E316 VanDerWaalsContact O-CB 3.28Å; A312-E316 WeakPolarHBondContact O-CB 3.37Å; A312-E316 PolarHBondContact O-N 2.82Å; I314-E316 PolarHBondContact O-N 2.79Å; E316-A318 PolarHBondContact O-N 3.17Å
317	R	95.2	Very high	93.8	Very high	16 Å²	16	39.3 Å²	39.3	6%	0.06	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2	173.3	-65.8	176.9	67.3	174.5	7.3	113.2	I132 R256 L259 T260 E263 S313 I314 Y315	I132-R317 PolarHBondContact O-NH1 3.14Å; R256-R317 PolarHBondContact O-NH1 3.48Å; L259-R317 HydrophobicContact CD1-CB 4.26Å; L259-R317 HydrophobicContact CD2-CB 4.45Å; T260-R317 VanDerWaalsContact CA-NH2 3.3Å; T260-R317 PolarHBondContact OG1-NH2 3.48Å; E263-R317 WeakPolarHBondContact OE1-CB 3.42Å; E263-R317 WeakPolarHBondContact OE1-CG 3.3Å; E263-R317 IonicContact OE1-CZ 2.69Å; E263-R317 IonicContact OE1-NE 3.58Å; E263-R317 PolarHBondContact OE1-NE 2.86Å; E263-R317 IonicContact OE1-NH2 3.82Å; E263-R317 PolarHBondContact OE1-NH2 2.64Å; E263-R317 IonicContact OE2-CZ 2.96Å; E263-R317 IonicContact OE2-NE 2.81Å; E263-R317 IonicContact OE2-NH2 3.25Å; E263-R317 PolarHBondContact OE2-NH2 3.22Å; S313-R317 WeakPolarHBondContact O-CD 3.43Å; S313-R317 WeakPolarHBondContact O-CG 3.47Å; I314-R317 WeakPolarHBondContact O-CB 3.18Å; I314-R317 PolarHBondContact O-N 2.91Å; Y315-R317 PolarHBondContact O-N 3.12Å
318	A	94.1	Very high	93.7	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	22%	0.218	C	C	.	.			trans	-79	157.8	172.6	0	0	0	0	0	112.3	K167 E316 Q330	K167-A318 HydrophobicContact CB-CB 4.16Å; E316-A318 PolarHBondContact O-N 3.17Å; A318-Q330 HydrophobicContact CB-CB 4.29Å; A318-Q330 HydrophobicContact CB-CG 3.8Å; A318-Q330 VanDerWaalsContact N-NE2 3.13Å
319	G	93	Very high	93.7	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.3	-166.3	169.9	0	0	0	0	0	115.1	G165 I328	G165-G319 WeakPolarHBondContact O-CA 3.37Å; G165-G319 PolarHBondContact O-N 2.98Å; G319-I328 PolarHBondContact N-O 3.43Å; G319-I328 PolarHBondContact O-N 2.96Å
320	R	92.6	Very high	93.7	Very high	40 Å²	40	29.4 Å²	29.4	15%	0.151	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.2	175.7	-62.6	-176.7	71	178	4.9	109.1	R142 I143 E147	R142-R320 WeakPolarHBondContact CA-O 3.49Å; I143-R320 HydrophobicContact CB-CB 4.14Å; I143-R320 PolarHBondContact N-O 3.35Å; E147-R320 IonicContact OE2-NH1 3.17Å
321	V	92.6	Very high	93.7	Very high	18 Å²	18	28.5 Å²	28.5	11%	0.109	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.2	-179.9	-59.7	0	0	0	0	110.6	I137 S141 Y267 R324	I137-V321 HydrophobicContact CD1-CG1 4.23Å; I137-V321 HydrophobicContact CG2-CG1 3.73Å; S141-V321 CarbonylContact O-C 3.54Å; S141-V321 WeakPolarHBondContact O-CA 3.41Å; Y267-V321 HydrophobicContact CD1-CG2 3.75Å; Y267-V321 HydrophobicContact CE1-CG1 4.02Å; Y267-V321 HydrophobicContact CE1-CG2 3.93Å; Y267-V321 HydrophobicContact CG-CG2 4.45Å; V321-R324 HydrophobicContact CG2-CB 3.71Å; V321-R324 HydrophobicContact CG2-CG 3.83Å; V321-R324 PolarHBondContact O-N 2.88Å
322	E	90.8	Very high	93.7	Very high	127 Å²	127	28.4 Å²	28.4	59%	0.593	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	135.5	178.5	-169	-179.2	-167.7	0	0	111.1	S141 I143 R324	S141-E322 PolarHBondContact O-N 3Å; I143-E322 HydrophobicContact CD1-CB 4.13Å; I143-E322 HydrophobicContact CD1-CG 4.36Å; I143-E322 HydrophobicContact CG1-CB 4.08Å; E322-R324 VanDerWaalsContact C-N 3.31Å; E322-R324 PolarHBondContact O-N 2.8Å
323	G	89.2	Confident	93.7	Very high	76 Å²	76	27.5 Å²	27.5	78%	0.784	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	0.2	-179.1	0	0	0	0	0	115.3
324	R	89	Confident	93.7	Very high	117 Å²	117	25 Å²	25	44%	0.442	14%	0.14	S	C	.	.			trans	-124.1	138	172.2	-54.4	-177.5	173.1	-159.5	-12.2	109.9	Y267 V321 E322	Y267-R324 WeakPolarHBondContact O-CD 3.46Å; Y267-R324 PolarHBondContact O-NE 3.24Å; Y267-R324 PolarHBondContact O-NH1 3.48Å; V321-R324 HydrophobicContact CG2-CB 3.71Å; V321-R324 HydrophobicContact CG2-CG 3.83Å; V321-R324 PolarHBondContact O-N 2.88Å; E322-R324 VanDerWaalsContact C-N 3.31Å; E322-R324 PolarHBondContact O-N 2.8Å
325	S	87	Confident	93.6	Very high	43 Å²	43	26 Å²	26	30%	0.301	15%	0.146	S	C	.	.			trans	-80.4	-26.4	-176.3	57.6	0	0	0	0	112.9	R164 E270 H272	R164-S325 PolarHBondContact NH2-O 3.45Å; E270-S325 WeakPolarHBondContact CB-OG 3.31Å; E270-S325 VanDerWaalsContact CD-OG 3.25Å; E270-S325 VanDerWaalsContact CG-OG 3.28Å; E270-S325 WeakPolarHBondContact CG-OG 3.39Å; E270-S325 PolarHBondContact OE2-OG 3.27Å; H272-S325 PolarHBondContact CE1-O 3.48Å
326	G	88.6	Confident	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.			trans	-71	167.4	-179.5	0	0	0	0	0	115	A266 K271	A266-G326 WeakPolarHBondContact O-CA 3.21Å; K271-G326 WeakPolarHBondContact O-CA 3Å
327	S	92.9	Very high	93.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.8	-175.4	62.6	0	0	0	0	111.5	R164 K271 V273	R164-S327 WeakPolarHBondContact CG-OG 3.31Å; R164-S327 PolarHBondContact NE-OG 3.07Å; R164-S327 PolarHBondContact NH2-OG 3.36Å; R164-S327 VanDerWaalsContact NH2-OG 3.15Å; K271-S327 PolarHBondContact O-N 3.14Å; V273-S327 PolarHBondContact N-O 3.16Å
328	I	95.3	Very high	93.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.9	174.1	-55.9	174.3	0	0	0	109.3	G165 E263 A266 Y267 V273 V275 G319 Q330	G165-I328 WeakPolarHBondContact CA-O 3.44Å; E263-I328 HydrophobicContact CB-CD1 4.19Å; E263-I328 HydrophobicContact CG-CD1 3.53Å; A266-I328 HydrophobicContact CB-CD1 4.01Å; A266-I328 HydrophobicContact CB-CG1 3.42Å; A266-I328 VanDerWaalsContact CB-CG1 3.42Å; Y267-I328 HydrophobicContact CD2-CD1 4.34Å; Y267-I328 HydrophobicContact CE1-CD1 4.35Å; Y267-I328 HydrophobicContact CE1-CG1 4.41Å; Y267-I328 HydrophobicContact CE2-CD1 3.64Å; V273-I328 WeakPolarHBondContact O-CA 3.27Å; V275-I328 HydrophobicContact CG2-CG2 3.74Å; G319-I328 PolarHBondContact N-O 3.43Å; G319-I328 PolarHBondContact O-N 2.96Å; I328-Q330 HydrophobicContact CG2-CG 4.26Å
329	T	95.1	Very high	93.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.8	170	-55.5	0	0	0	0	108.4	I149 I162 G165 Q166 V273 L274 V275	I149-T329 HydrophobicContact CD1-CG2 3.81Å; I149-T329 VanDerWaalsContact CD1-OG1 3.31Å; I149-T329 WeakPolarHBondContact CD1-OG1 3.5Å; I162-T329 HydrophobicContact CG2-CG2 4.16Å; G165-T329 PolarHBondContact N-OG1 3.26Å; Q166-T329 WeakPolarHBondContact O-CG2 3.29Å; V273-T329 PolarHBondContact O-N 3.4Å; L274-T329 HydrophobicContact CD1-CG2 3.98Å; V275-T329 PolarHBondContact N-O 2.64Å
330	Q	96.8	Very high	93.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.1	179	-68.8	-171	33.6	0	0	111.3	Q166 K167 I168 L259 V275 I314 Y315 A318 I328 P332	Q166-Q330 PolarHBondContact O-N 2.87Å; K167-Q330 WeakPolarHBondContact CA-O 3.19Å; K167-Q330 HydrophobicContact CB-CB 4.37Å; I168-Q330 PolarHBondContact N-O 2.96Å; L259-Q330 HydrophobicContact CD2-CG 4.27Å; V275-Q330 HydrophobicContact CB-CG 4.24Å; I314-Q330 PolarHBondContact O-NE2 3.42Å; I314-Q330 VanDerWaalsContact O-NE2 3.11Å; Y315-Q330 PolarHBondContact O-NE2 3.41Å; A318-Q330 HydrophobicContact CB-CB 4.29Å; A318-Q330 HydrophobicContact CB-CG 3.8Å; A318-Q330 VanDerWaalsContact N-NE2 3.13Å; I328-Q330 HydrophobicContact CG2-CG 4.26Å; Q330-P332 VanDerWaalsContact C-CD 3.44Å; Q330-P332 WeakPolarHBondContact O-CD 3.43Å
331	I	96.2	Very high	93.3	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	79.8	169.8	-54.7	-177.7	0	0	0	108.9	I162 I168 I170 I185 L274 V275 I276 L277	I162-I331 HydrophobicContact CD1-CD1 4.26Å; I168-I331 HydrophobicContact CG2-CG1 4.26Å; I168-I331 WeakPolarHBondContact O-CA 3.33Å; I170-I331 HydrophobicContact CD1-CG2 3.67Å; I170-I331 HydrophobicContact CG1-CG2 3.79Å; I185-I331 HydrophobicContact CG2-CD1 3.79Å; L274-I331 HydrophobicContact CD1-CD1 3.78Å; L274-I331 HydrophobicContact CD1-CG1 3.96Å; V275-I331 PolarHBondContact O-N 3.43Å; I276-I331 WeakPolarHBondContact CA-O 3.46Å; I276-I331 HydrophobicContact CG1-CB 4.47Å; L277-I331 PolarHBondContact N-O 2.96Å
332	P	97.2	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.2	173.7	27	-29.6	0	0	0	110.9	P169 I170 L277 M280 Y315 Q330	P169-P332 CarbonylContact C-O 2.86Å; P169-P332 WeakPolarHBondContact CA-O 3.32Å; P169-P332 HydrophobicContact CB-CG 3.97Å; P169-P332 WeakPolarHBondContact CB-O 3.5Å; I170-P332 PolarHBondContact N-O 3.46Å; L277-P332 HydrophobicContact CB-CB 4.28Å; L277-P332 CarbonylContact O-C 3.59Å; L277-P332 WeakPolarHBondContact O-CA 3.42Å; M280-P332 HydrophobicContact CG-CB 3.88Å; Y315-P332 HydrophobicContact CD1-CB 4.35Å; Y315-P332 HydrophobicContact CD1-CG 4.04Å; Y315-P332 HydrophobicContact CE1-CB 3.58Å; Y315-P332 HydrophobicContact CE1-CG 3.62Å; Q330-P332 VanDerWaalsContact C-CD 3.44Å; Q330-P332 WeakPolarHBondContact O-CD 3.43Å
333	I	96.8	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.9	179.2	-50.5	-180	0	0	0	107.5	I170 H178 A182 I276 L277 M280	I170-I333 HydrophobicContact CB-CG1 4.3Å; I170-I333 HydrophobicContact CB-CG2 4.38Å; I170-I333 HydrophobicContact CD1-CG1 4.41Å; H178-I333 HydrophobicContact CB-CG2 4.16Å; A182-I333 HydrophobicContact CB-CD1 3.36Å; I276-I333 HydrophobicContact CG2-CD1 3.83Å; I276-I333 HydrophobicContact CG2-CG1 4.26Å; L277-I333 PolarHBondContact O-N 3.3Å; M280-I333 PolarHBondContact N-O 2.93Å
334	L	96	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.8	175.3	68.9	87.3	0	0	0	111.2	I170 F171 S172 D279 M280 M336 I345 P346 T349	I170-L334 PolarHBondContact O-N 2.96Å; F171-L334 HydrophobicContact CB-CD1 4.44Å; F171-L334 HydrophobicContact CD1-CD1 3.8Å; F171-L334 HydrophobicContact CD1-CD2 3.57Å; F171-L334 HydrophobicContact CD1-CG 3.62Å; F171-L334 HydrophobicContact CE1-CD1 4.28Å; F171-L334 HydrophobicContact CE1-CD2 3.36Å; F171-L334 HydrophobicContact CE1-CG 3.99Å; F171-L334 HydrophobicContact CG-CD1 4.11Å; F171-L334 HydrophobicContact CG-CG 4.39Å; F171-L334 HydrophobicContact CZ-CD2 4.24Å; S172-L334 PolarHBondContact N-O 3.34Å; D279-L334 WeakPolarHBondContact OD1-CA 2.84Å; M280-L334 HydrophobicContact CB-CB 4.06Å; L334-M336 HydrophobicContact CD1-CG 3.58Å; L334-I345 HydrophobicContact CD2-CG2 4.32Å; L334-P346 HydrophobicContact CD1-CB 4.07Å; L334-T349 HydrophobicContact CD2-CG2 3.84Å
335	T	95.9	Very high	94.3	Very high	21 Å²	21	25.6 Å²	25.6	13%	0.129	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.5	171.7	62.6	0	0	0	0	110.4	S172 D279 S281 P337	S172-T335 CarbonylContact O-C 3.26Å; D279-T335 PolarHBondContact OD1-N 2.97Å; D279-T335 VanDerWaalsContact OD1-N 3.08Å; D279-T335 WeakPolarHBondContact OD2-CB 3.04Å; D279-T335 WeakPolarHBondContact OD2-CG2 3.33Å; D279-T335 PolarHBondContact OD2-OG1 3.01Å; S281-T335 WeakPolarHBondContact CB-O 3.35Å; S281-T335 PolarHBondContact OG-N 2.8Å; S281-T335 PolarHBondContact OG-O 2.9Å; T335-P337 WeakPolarHBondContact O-CD 3.5Å
336	M	95.2	Very high	94.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.132	C	C	.	.			trans	-73	124.1	179	-61.4	-179.1	-63.9	0	0	109.9	F171 S172 L334 N338 D339 I341 P346 Y358	F171-M336 HydrophobicContact CB-CE 4.21Å; F171-M336 HydrophobicContact CB-SD 4.03Å; F171-M336 HydrophobicContact CD2-SD 4.08Å; F171-M336 HydrophobicContact CG-SD 4.34Å; S172-M336 WeakPolarHBondContact O-CB 3.39Å; S172-M336 PolarHBondContact O-N 3.48Å; L334-M336 HydrophobicContact CD1-CG 3.58Å; M336-N338 PolarHBondContact O-N 3.35Å; M336-D339 PolarHBondContact O-N 3.27Å; M336-I341 HydrophobicContact SD-CB 4.25Å; M336-I341 HydrophobicContact SD-CG1 4.38Å; M336-P346 HydrophobicContact CG-CB 4.13Å; M336-P346 HydrophobicContact CG-CG 3.98Å; M336-P346 HydrophobicContact SD-CB 4.17Å; M336-P346 HydrophobicContact SD-CG 4.27Å; M336-Y358 HydrophobicContact CE-CD2 4.27Å; M336-Y358 HydrophobicContact CE-CE2 3.53Å; M336-Y358 HydrophobicContact SD-CE2 4.12Å
337	P	93.6	Very high	95.1	Very high	38 Å²	38	25.5 Å²	25.5	25%	0.247	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-63.5	129.1	174	-23.9	36.5	0	0	0	110.6	T335 D339 D340	T335-P337 WeakPolarHBondContact O-CD 3.5Å; P337-D339 PolarHBondContact O-N 3.08Å; P337-D340 WeakPolarHBondContact O-CB 3.5Å; P337-D340 PolarHBondContact O-N 2.99Å; P337-D340 VanDerWaalsContact O-N 3.16Å
338	N	92.4	Very high	95.2	Very high	156 Å²	156	27 Å²	27	83%	0.834	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	57	29.1	-179.9	-54.6	-38.8	0	0	0	115	M336 D340	M336-N338 PolarHBondContact O-N 3.35Å; N338-D340 PolarHBondContact O-N 2.9Å; N338-D340 VanDerWaalsContact O-N 3.13Å
339	D	92.5	Very high	95.3	Very high	57 Å²	57	27 Å²	27	31%	0.305	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	57.3	23.3	-176	-50.4	-14.1	0	0	0	112.9	A173 M336 P337 I341 R361	A173-D339 WeakPolarHBondContact CB-OD1 3.39Å; M336-D339 PolarHBondContact O-N 3.27Å; P337-D339 PolarHBondContact O-N 3.08Å; D339-I341 PolarHBondContact O-N 3.15Å; D339-R361 IonicContact OD1-CZ 3.33Å; D339-R361 IonicContact OD1-NE 2.69Å; D339-R361 IonicContact OD1-NH2 2.73Å; D339-R361 PolarHBondContact OD1-NH2 2.77Å; D339-R361 IonicContact OD2-CZ 2.81Å; D339-R361 IonicContact OD2-NE 2.67Å; D339-R361 PolarHBondContact OD2-NE 3.17Å; D339-R361 IonicContact OD2-NH2 3.57Å
340	D	93.8	Very high	95.3	Very high	39 Å²	39	27.5 Å²	27.5	21%	0.209	16%	0.155	C	C	.	.			trans	-91.6	102.3	-173	179.5	13.3	0	0	0	112.2	R301 P337 N338 T342 H343	R301-D340 IonicContact CZ-OD2 2.67Å; R301-D340 IonicContact NH1-OD2 2.86Å; R301-D340 PolarHBondContact NH1-OD2 2.89Å; R301-D340 IonicContact NH2-OD2 3.02Å; R301-D340 PolarHBondContact NH2-OD2 3.22Å; P337-D340 WeakPolarHBondContact O-CB 3.5Å; P337-D340 PolarHBondContact O-N 2.99Å; P337-D340 VanDerWaalsContact O-N 3.16Å; N338-D340 PolarHBondContact O-N 2.9Å; N338-D340 VanDerWaalsContact O-N 3.13Å; D340-T342 PolarHBondContact O-N 3.12Å; D340-T342 WeakPolarHBondContact OD1-CA 3.13Å; D340-T342 WeakPolarHBondContact OD1-CB 3.34Å; D340-T342 PolarHBondContact OD1-N 2.9Å; D340-T342 PolarHBondContact OD1-OG1 3.08Å; D340-T342 PolarHBondContact OD2-OG1 3.01Å; D340-H343 HydrophobicContact CB-CB 4.44Å; D340-H343 WeakPolarHBondContact O-CB 3.36Å; D340-H343 PolarHBondContact O-N 3.25Å; D340-H343 VanDerWaalsContact O-N 3.11Å
341	I	93.5	Very high	95.2	Very high	72 Å²	72	34.2 Å²	34.2	37%	0.369	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.5	175.7	-161.1	171.7	0	0	0	113.3	F171 M336 D339 H343 Y358	F171-I341 HydrophobicContact CD2-CG1 4.42Å; F171-I341 HydrophobicContact CE2-CG1 4.48Å; M336-I341 HydrophobicContact SD-CB 4.25Å; M336-I341 HydrophobicContact SD-CG1 4.38Å; D339-I341 PolarHBondContact O-N 3.15Å; I341-H343 VanDerWaalsContact C-N 3.27Å; I341-Y358 HydrophobicContact CB-CE2 4.49Å; I341-Y358 HydrophobicContact CD1-CD2 4.19Å; I341-Y358 HydrophobicContact CD1-CE2 3.99Å; I341-Y358 HydrophobicContact CG1-CE2 4.46Å
342	T	93.9	Very high	95.2	Very high	84 Å²	84	34.7 Å²	34.7	52%	0.515	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.7	177.6	76.2	0	0	0	0	112.9	D340	D340-T342 PolarHBondContact O-N 3.12Å; D340-T342 WeakPolarHBondContact OD1-CA 3.13Å; D340-T342 WeakPolarHBondContact OD1-CB 3.34Å; D340-T342 PolarHBondContact OD1-N 2.9Å; D340-T342 PolarHBondContact OD1-OG1 3.08Å; D340-T342 PolarHBondContact OD2-OG1 3.01Å
343	H	95.8	Very high	95.2	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.051	18%	0.184	C	C	.	.	S	Bend	trans	-60.1	143.7	173.4	-172	-82.5	0	0	0	110.2	R301 F303 D340 I341 I345 P346 D347	R301-H343 PolarHBondContact NH1-CD2 3.15Å; F303-H343 AromaticContact CE2-CE1 3.41Å; F303-H343 VanDerWaalsContact CE2-CE1 3.41Å; F303-H343 WeakPolarHBondContact CE2-CE1 3.46Å; F303-H343 AromaticContact CE2-NE2 3.83Å; F303-H343 AromaticContact CZ-CE1 3.67Å; D340-H343 HydrophobicContact CB-CB 4.44Å; D340-H343 WeakPolarHBondContact O-CB 3.36Å; D340-H343 PolarHBondContact O-N 3.25Å; D340-H343 VanDerWaalsContact O-N 3.11Å; I341-H343 VanDerWaalsContact C-N 3.27Å; H343-I345 VanDerWaalsContact CE1-CD1 3.48Å; H343-I345 WeakPolarHBondContact CE1-CD1 3.33Å; H343-I345 PolarHBondContact ND1-N 3.23Å; H343-I345 PolarHBondContact O-N 3.35Å; H343-P346 HydrophobicContact CB-CG 3.84Å; H343-P346 WeakPolarHBondContact O-CD 3.38Å; H343-P346 VanDerWaalsContact O-CG 3.25Å; H343-P346 WeakPolarHBondContact O-CG 3.36Å; H343-D347 VanDerWaalsContact O-CB 3.31Å; H343-D347 WeakPolarHBondContact O-CB 3.18Å; H343-D347 PolarHBondContact O-N 3.46Å; H343-D347 VanDerWaalsContact O-N 3.08Å
344	P	95.4	Very high	95.1	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.045	19%	0.194	C	C	.	.	H	α-helix	trans	-53.2	-33.4	-177.9	-31.1	36.8	0	0	0	115.3	R300 R301 F303 M307 L348	R300-P344 HydrophobicContact CB-CG 4.05Å; R301-P344 HydrophobicContact CB-CG 4.24Å; R301-P344 HydrophobicContact CG-CG 4.04Å; F303-P344 HydrophobicContact CD2-CB 4.22Å; F303-P344 HydrophobicContact CD2-CG 4.31Å; M307-P344 HydrophobicContact CE-CB 3.67Å; P344-L348 WeakPolarHBondContact O-CB 3.22Å; P344-L348 WeakPolarHBondContact O-CG 3.48Å; P344-L348 PolarHBondContact O-N 2.93Å
345	I	95.9	Very high	95	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-59.8	-179.6	-58.7	166.3	0	0	0	112.2	A284 F303 L334 H343 T349	A284-I345 HydrophobicContact CB-CD1 3.78Å; A284-I345 HydrophobicContact CB-CG1 3.82Å; F303-I345 HydrophobicContact CE1-CD1 4.08Å; F303-I345 HydrophobicContact CE1-CG1 4.28Å; F303-I345 HydrophobicContact CZ-CD1 3.75Å; F303-I345 HydrophobicContact CZ-CG1 4.06Å; L334-I345 HydrophobicContact CD2-CG2 4.32Å; H343-I345 VanDerWaalsContact CE1-CD1 3.48Å; H343-I345 WeakPolarHBondContact CE1-CD1 3.33Å; H343-I345 PolarHBondContact ND1-N 3.23Å; H343-I345 PolarHBondContact O-N 3.35Å; I345-T349 VanDerWaalsContact O-CB 3.31Å; I345-T349 WeakPolarHBondContact O-CB 3.5Å; I345-T349 PolarHBondContact O-N 3.22Å; I345-T349 PolarHBondContact O-OG1 2.96Å
346	P	96.4	Very high	95	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-37.5	175.5	22.8	-33.4	0	0	0	112.9	F171 L334 M336 H343 T349 G350	F171-P346 HydrophobicContact CD2-CB 3.95Å; F171-P346 HydrophobicContact CE2-CB 3.57Å; F171-P346 HydrophobicContact CZ-CB 3.88Å; F171-P346 WeakPolarHBondContact CZ-O 3.16Å; L334-P346 HydrophobicContact CD1-CB 4.07Å; M336-P346 HydrophobicContact CG-CB 4.13Å; M336-P346 HydrophobicContact CG-CG 3.98Å; M336-P346 HydrophobicContact SD-CB 4.17Å; M336-P346 HydrophobicContact SD-CG 4.27Å; H343-P346 HydrophobicContact CB-CG 3.84Å; H343-P346 WeakPolarHBondContact O-CD 3.38Å; H343-P346 VanDerWaalsContact O-CG 3.25Å; H343-P346 WeakPolarHBondContact O-CG 3.36Å; P346-T349 PolarHBondContact O-N 2.85Å; P346-G350 PolarHBondContact O-N 3.43Å
347	D	96	Very high	95.1	Very high	39 Å²	39	37.4 Å²	37.4	21%	0.209	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-52.3	179.1	-170.4	33.4	0	0	0	111.1	R300 H343 T349 G350 Y351	R300-D347 IonicContact NH1-OD2 3.62Å; H343-D347 VanDerWaalsContact O-CB 3.31Å; H343-D347 WeakPolarHBondContact O-CB 3.18Å; H343-D347 PolarHBondContact O-N 3.46Å; H343-D347 VanDerWaalsContact O-N 3.08Å; D347-T349 PolarHBondContact O-N 2.9Å; D347-G350 PolarHBondContact O-N 2.9Å; D347-Y351 WeakPolarHBondContact O-CD2 3.49Å; D347-Y351 PolarHBondContact O-N 3.01Å; D347-Y351 WeakPolarHBondContact OD1-CE2 3.46Å; D347-Y351 VanDerWaalsContact OD1-CZ 3.25Å; D347-Y351 PolarHBondContact OD1-OH 3.46Å
348	L	96.5	Very high	95.3	Very high	34 Å²	34	37.1 Å²	37.1	18%	0.178	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-38.3	176.9	-63.8	-173.8	0	0	0	112.5	M307 Y308 L311 P344 G350 Y351 I352	M307-L348 HydrophobicContact CB-CD1 4.12Å; M307-L348 HydrophobicContact CE-CD1 3.42Å; M307-L348 VanDerWaalsContact CE-CD1 3.42Å; M307-L348 HydrophobicContact CE-CG 4.36Å; M307-L348 HydrophobicContact CG-CD1 4.09Å; Y308-L348 HydrophobicContact CD2-CD2 4.03Å; L311-L348 HydrophobicContact CD1-CB 4.32Å; P344-L348 WeakPolarHBondContact O-CB 3.22Å; P344-L348 WeakPolarHBondContact O-CG 3.48Å; P344-L348 PolarHBondContact O-N 2.93Å; L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 3.42Å; L348-Y351 HydrophobicContact CD2-CD2 4.25Å; L348-Y351 PolarHBondContact O-N 3.35Å; L348-I352 WeakPolarHBondContact O-CD1 3.4Å; L348-I352 VanDerWaalsContact O-CG1 3.3Å; L348-I352 WeakPolarHBondContact O-CG1 3.22Å; L348-I352 PolarHBondContact O-N 3.42Å
349	T	96.6	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-41.4	176.9	-59.6	0	0	0	0	111.1	P169 F171 Y315 L334 I345 P346 D347 Y351 I352 T353	P169-T349 HydrophobicContact CB-CG2 3.92Å; P169-T349 HydrophobicContact CG-CG2 3.97Å; F171-T349 HydrophobicContact CE1-CG2 3.95Å; F171-T349 HydrophobicContact CZ-CG2 4.38Å; Y315-T349 HydrophobicContact CE2-CG2 3.65Å; Y315-T349 PolarHBondContact OH-OG1 3.41Å; L334-T349 HydrophobicContact CD2-CG2 3.84Å; I345-T349 VanDerWaalsContact O-CB 3.31Å; I345-T349 WeakPolarHBondContact O-CB 3.5Å; I345-T349 PolarHBondContact O-N 3.22Å; I345-T349 PolarHBondContact O-OG1 2.96Å; P346-T349 PolarHBondContact O-N 2.85Å; D347-T349 PolarHBondContact O-N 2.9Å; T349-Y351 VanDerWaalsContact C-N 3.31Å; T349-Y351 PolarHBondContact O-N 3.13Å; T349-I352 PolarHBondContact O-N 2.86Å; T349-T353 HydrophobicContact CG2-CG2 3.89Å; T349-T353 WeakPolarHBondContact O-CB 3.29Å; T349-T353 WeakPolarHBondContact O-CG2 3.29Å; T349-T353 PolarHBondContact O-N 2.91Å; T349-T353 PolarHBondContact O-OG1 3.09Å
350	G	94.4	Very high	95.6	Very high	13 Å²	13	28 Å²	28	13%	0.134	14%	0.141	C	C	.	.	H	α-helix	trans	-67.8	-25.6	177.2	0	0	0	0	0	114.2	P346 D347 L348 R380	P346-G350 PolarHBondContact O-N 3.43Å; D347-G350 PolarHBondContact O-N 2.9Å; L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 3.42Å; G350-R380 PolarHBondContact O-NH2 3.26Å
351	Y	95.7	Very high	95.7	Very high	141 Å²	141	29.7 Å²	29.7	55%	0.553	14%	0.144	S	C	*	.	H	α-helix	trans	-73.7	-32.7	171.3	-68.5	-45.7	0	0	0	113.3	D347 L348 T349	D347-Y351 WeakPolarHBondContact O-CD2 3.49Å; D347-Y351 PolarHBondContact O-N 3.01Å; D347-Y351 WeakPolarHBondContact OD1-CE2 3.46Å; D347-Y351 VanDerWaalsContact OD1-CZ 3.25Å; D347-Y351 PolarHBondContact OD1-OH 3.46Å; L348-Y351 HydrophobicContact CD2-CD2 4.25Å; L348-Y351 PolarHBondContact O-N 3.35Å; T349-Y351 VanDerWaalsContact C-N 3.31Å; T349-Y351 PolarHBondContact O-N 3.13Å
352	I	96	Very high	95.7	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-87.6	-45.1	-175.9	-60	160.3	0	0	0	111	K167 Y308 L311 A312 Y315 L348 T349	K167-I352 WeakPolarHBondContact CE-O 3.45Å; Y308-I352 HydrophobicContact CD2-CD1 3.97Å; Y308-I352 HydrophobicContact CD2-CG1 3.94Å; Y308-I352 HydrophobicContact CE2-CD1 4.07Å; Y308-I352 HydrophobicContact CE2-CG1 3.51Å; L311-I352 HydrophobicContact CB-CD1 3.73Å; A312-I352 HydrophobicContact CB-CD1 4.12Å; A312-I352 HydrophobicContact CB-CG1 4.35Å; A312-I352 HydrophobicContact CB-CG2 4.28Å; Y315-I352 HydrophobicContact CD2-CB 4.13Å; Y315-I352 HydrophobicContact CD2-CD1 4.16Å; Y315-I352 HydrophobicContact CD2-CG2 3.84Å; Y315-I352 HydrophobicContact CG-CG2 4.34Å; L348-I352 WeakPolarHBondContact O-CD1 3.4Å; L348-I352 VanDerWaalsContact O-CG1 3.3Å; L348-I352 WeakPolarHBondContact O-CG1 3.22Å; L348-I352 PolarHBondContact O-N 3.42Å; T349-I352 PolarHBondContact O-N 2.86Å
353	T	96	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-83.3	167.3	-174.4	61.1	0	0	0	0	112.6	P169 Y315 T349 G355	P169-T353 WeakPolarHBondContact CD-OG1 3.32Å; P169-T353 HydrophobicContact CG-CG2 4.34Å; P169-T353 WeakPolarHBondContact CG-OG1 3.4Å; Y315-T353 HydrophobicContact CD2-CG2 3.93Å; Y315-T353 HydrophobicContact CE2-CG2 4.3Å; Y315-T353 HydrophobicContact CG-CG2 4.09Å; T349-T353 HydrophobicContact CG2-CG2 3.89Å; T349-T353 WeakPolarHBondContact O-CB 3.29Å; T349-T353 WeakPolarHBondContact O-CG2 3.29Å; T349-T353 PolarHBondContact O-N 2.91Å; T349-T353 PolarHBondContact O-OG1 3.09Å; T353-G355 VanDerWaalsContact C-N 3.32Å; T353-G355 PolarHBondContact O-N 3.02Å; T353-G355 PolarHBondContact OG1-O 2.84Å
354	E	94.8	Very high	95.7	Very high	44 Å²	44	31.7 Å²	31.7	21%	0.206	15%	0.146	C	C	.	.	S	Bend	trans	-99.3	35	-168.5	-69.2	157.4	-170	0	0	112.2	Q166 K167 R380 L381	Q166-E354 HydrophobicContact CG-CB 4.27Å; Q166-E354 WeakPolarHBondContact CG-OE2 3.15Å; Q166-E354 PolarHBondContact NE2-O 3.12Å; K167-E354 HydrophobicContact CG-CG 4.15Å; K167-E354 IonicContact NZ-OE1 3.18Å; K167-E354 PolarHBondContact NZ-OE1 3.46Å; K167-E354 PolarHBondContact O-N 2.83Å; K167-E354 VanDerWaalsContact O-N 3.08Å; E354-R380 HydrophobicContact CB-CB 4.4Å; E354-R380 VanDerWaalsContact O-CB 3.28Å; E354-R380 WeakPolarHBondContact O-CB 3.23Å; E354-R380 WeakPolarHBondContact O-CG 3.42Å; E354-R380 PolarHBondContact O-N 3.47Å; E354-L381 WeakPolarHBondContact OE2-CD1 3.34Å
355	G	94.1	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.1	-171.1	-173	0	0	0	0	0	111.7	P169 T353 L378	P169-G355 WeakPolarHBondContact CD-O 3.5Å; P169-G355 WeakPolarHBondContact CG-O 3.48Å; T353-G355 VanDerWaalsContact C-N 3.32Å; T353-G355 PolarHBondContact O-N 3.02Å; T353-G355 PolarHBondContact OG1-O 2.84Å; G355-L378 CarbonylContact C-O 3.6Å; G355-L378 WeakPolarHBondContact CA-O 3.43Å
356	Q	96.8	Very high	95.6	Very high	33 Å²	33	42.3 Å²	42.3	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	149.1	172.2	63.1	-78.7	-10.4	0	0	110	P169 F171 P376 S377 L378	P169-Q356 HydrophobicContact CG-CB 3.87Å; P169-Q356 WeakPolarHBondContact O-CA 3.44Å; F171-Q356 HydrophobicContact CD1-CB 4.18Å; F171-Q356 HydrophobicContact CD2-CB 4.14Å; F171-Q356 HydrophobicContact CD2-CG 4.11Å; F171-Q356 HydrophobicContact CE1-CB 4.06Å; F171-Q356 HydrophobicContact CE2-CB 4.02Å; F171-Q356 HydrophobicContact CE2-CG 4.03Å; F171-Q356 HydrophobicContact CG-CB 4.22Å; F171-Q356 HydrophobicContact CZ-CB 3.98Å; F171-Q356 HydrophobicContact CZ-CG 4.45Å; Q356-P376 PolarHBondContact NE2-O 3.22Å; Q356-S377 CarbonylContact O-C 3.45Å; Q356-S377 WeakPolarHBondContact O-CA 3.48Å; Q356-S377 WeakPolarHBondContact O-CB 3.38Å; Q356-L378 PolarHBondContact N-O 2.75Å; Q356-L378 PolarHBondContact O-N 2.62Å
357	I	97	Very high	95.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.6	168	-64.9	165.1	0	0	0	107.2	I156 I162 I168 P169 I170 F171 I372	I156-I357 HydrophobicContact CD1-CD1 3.81Å; I156-I357 HydrophobicContact CG1-CD1 3.92Å; I156-I357 HydrophobicContact CG2-CD1 4.06Å; I162-I357 HydrophobicContact CD1-CD1 4.27Å; I168-I357 HydrophobicContact CD1-CD1 4.06Å; I168-I357 HydrophobicContact CD1-CG1 3.93Å; I168-I357 HydrophobicContact CG1-CD1 4.36Å; I168-I357 HydrophobicContact CG1-CG1 4.26Å; P169-I357 PolarHBondContact O-N 3.22Å; I170-I357 CarbonylContact C-O 3.56Å; I170-I357 WeakPolarHBondContact CA-O 3.06Å; I170-I357 HydrophobicContact CG1-CB 4.26Å; I170-I357 HydrophobicContact CG1-CD1 4.37Å; F171-I357 PolarHBondContact N-O 2.85Å; I357-I372 HydrophobicContact CG2-CD1 4.06Å; I357-I372 HydrophobicContact CG2-CG1 4.1Å; I357-I372 HydrophobicContact CG2-CG2 3.97Å
358	Y	97	Very high	95.3	Very high	33 Å²	33	49.6 Å²	49.6	13%	0.129	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.4	-175.8	-167.3	-82.8	0	0	0	110.9	F171 M336 I341 D360 I372 N373 P376 S377	F171-Y358 HydrophobicContact CB-CD2 4.29Å; M336-Y358 HydrophobicContact CE-CD2 4.27Å; M336-Y358 HydrophobicContact CE-CE2 3.53Å; M336-Y358 HydrophobicContact SD-CE2 4.12Å; I341-Y358 HydrophobicContact CB-CE2 4.49Å; I341-Y358 HydrophobicContact CD1-CD2 4.19Å; I341-Y358 HydrophobicContact CD1-CE2 3.99Å; I341-Y358 HydrophobicContact CG1-CE2 4.46Å; Y358-D360 HydrophobicContact CD1-CB 4.13Å; Y358-D360 HydrophobicContact CE1-CB 4.11Å; Y358-I372 WeakPolarHBondContact O-CA 3.36Å; Y358-N373 HydrophobicContact CD1-CB 4.13Å; Y358-N373 PolarHBondContact O-N 2.5Å; Y358-P376 HydrophobicContact CD1-CG 3.74Å; Y358-P376 HydrophobicContact CD2-CB 4.2Å; Y358-P376 HydrophobicContact CD2-CG 4.02Å; Y358-P376 HydrophobicContact CE1-CG 4.4Å; Y358-P376 HydrophobicContact CG-CB 4.16Å; Y358-P376 HydrophobicContact CG-CG 3.52Å; Y358-S377 PolarHBondContact N-OG 3.04Å
359	V	96.6	Very high	95.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-91.4	120.2	175.2	-177.8	0	0	0	0	108.7	I170 F171 L176 I181 P371	I170-V359 HydrophobicContact CG2-CG2 3.62Å; F171-V359 PolarHBondContact O-N 3.44Å; L176-V359 HydrophobicContact CB-CG1 4.07Å; L176-V359 HydrophobicContact CD1-CG1 4.06Å; L176-V359 WeakPolarHBondContact CD1-O 3.4Å; I181-V359 HydrophobicContact CD1-CG1 4.21Å; I181-V359 HydrophobicContact CD1-CG2 3.87Å; V359-P371 CarbonylContact C-O 3.38Å; V359-P371 WeakPolarHBondContact CA-O 3.45Å; V359-P371 HydrophobicContact CG1-CG 3.92Å
360	D	95	Very high	95.1	Very high	18 Å²	18	49.8 Å²	49.8	10%	0.096	23%	0.225	C	C	.	.			trans	-108.6	129.1	-167	-172.8	-2.6	0	0	0	112.5	Y358 Q362 L363 H364 P371 N373	Y358-D360 HydrophobicContact CD1-CB 4.13Å; Y358-D360 HydrophobicContact CE1-CB 4.11Å; D360-Q362 VanDerWaalsContact C-N 3.3Å; D360-Q362 PolarHBondContact O-N 3.27Å; D360-Q362 PolarHBondContact OD1-N 3.01Å; D360-L363 HydrophobicContact CB-CD1 4.33Å; D360-L363 HydrophobicContact CB-CG 4.37Å; D360-L363 PolarHBondContact O-N 3.33Å; D360-H364 PolarHBondContact O-N 3.38Å; D360-P371 PolarHBondContact N-O 2.91Å; D360-N373 HydrophobicContact CB-CB 3.6Å; D360-N373 PolarHBondContact OD2-ND2 3.42Å
361	R	95.4	Very high	95.2	Very high	76 Å²	76	49.1 Å²	49.1	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-33.7	176.6	-171.3	177	-58.2	-77.1	-1.3	112.7	S174 L176 D339 L363 H364 N365	S174-R361 PolarHBondContact O-NH1 3.28Å; S174-R361 PolarHBondContact O-NH2 3.23Å; L176-R361 HydrophobicContact CD1-CB 4.36Å; L176-R361 HydrophobicContact CD2-CB 3.97Å; L176-R361 HydrophobicContact CD2-CG 4.09Å; D339-R361 IonicContact OD1-CZ 3.33Å; D339-R361 IonicContact OD1-NE 2.69Å; D339-R361 IonicContact OD1-NH2 2.73Å; D339-R361 PolarHBondContact OD1-NH2 2.77Å; D339-R361 IonicContact OD2-CZ 2.81Å; D339-R361 IonicContact OD2-NE 2.67Å; D339-R361 PolarHBondContact OD2-NE 3.17Å; D339-R361 IonicContact OD2-NH2 3.57Å; R361-L363 PolarHBondContact O-N 2.66Å; R361-H364 PolarHBondContact O-N 2.9Å; R361-N365 WeakPolarHBondContact O-CB 3.37Å; R361-N365 VanDerWaalsContact O-CG 3.25Å; R361-N365 PolarHBondContact O-N 3.4Å
362	Q	94.1	Very high	95.2	Very high	139 Å²	139	42.4 Å²	42.4	65%	0.65	19%	0.193	S	C	*	.	H	α-helix	trans	-65.6	-40.1	-178.3	-65	-171.4	-3.3	0	0	112.2	D360 R366	D360-Q362 VanDerWaalsContact C-N 3.3Å; D360-Q362 PolarHBondContact O-N 3.27Å; D360-Q362 PolarHBondContact OD1-N 3.01Å; Q362-R366 WeakPolarHBondContact O-CG 3.47Å; Q362-R366 PolarHBondContact O-N 3.09Å
363	L	94.6	Very high	95.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-40.6	175.5	-65.5	178.1	0	0	0	111	D360 R361 N365 R366 I368 P371 I372 N373 E439	D360-L363 HydrophobicContact CB-CD1 4.33Å; D360-L363 HydrophobicContact CB-CG 4.37Å; D360-L363 PolarHBondContact O-N 3.33Å; R361-L363 PolarHBondContact O-N 2.66Å; L363-N365 PolarHBondContact O-N 3.24Å; L363-R366 PolarHBondContact O-N 2.94Å; L363-R366 VanDerWaalsContact O-N 3.12Å; L363-I368 HydrophobicContact CB-CB 4.49Å; L363-I368 HydrophobicContact CD2-CD1 3.87Å; L363-I368 PolarHBondContact O-N 2.87Å; L363-P371 HydrophobicContact CB-CB 3.77Å; L363-I372 WeakPolarHBondContact CD1-O 3.42Å; L363-N373 HydrophobicContact CD1-CB 4.23Å; L363-E439 HydrophobicContact CD2-CG 4.25Å
364	H	95.5	Very high	95.1	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.31	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-44.2	177.8	-174.3	58.8	0	0	0	112.4	L176 D360 R361 R366 Q367 P371	L176-H364 HydrophobicContact CD2-CB 3.93Å; D360-H364 PolarHBondContact O-N 3.38Å; R361-H364 PolarHBondContact O-N 2.9Å; H364-R366 PolarHBondContact O-N 2.93Å; H364-R366 VanDerWaalsContact O-N 3.14Å; H364-Q367 WeakPolarHBondContact O-CA 3.09Å; H364-Q367 PolarHBondContact O-N 2.8Å; H364-P371 HydrophobicContact CB-CB 3.85Å; H364-P371 HydrophobicContact CB-CG 3.92Å
365	N	95	Very high	95.1	Very high	120 Å²	120	43 Å²	43	64%	0.642	20%	0.197	S	C	*	.	H	α-helix	trans	-61.2	-23.8	176.7	-72.1	-9.3	0	0	0	113.1	R361 L363 Q367	R361-N365 WeakPolarHBondContact O-CB 3.37Å; R361-N365 VanDerWaalsContact O-CG 3.25Å; R361-N365 PolarHBondContact O-N 3.4Å; L363-N365 PolarHBondContact O-N 3.24Å; N365-Q367 VanDerWaalsContact C-N 3.28Å
366	R	93.8	Very high	95.2	Very high	111 Å²	111	44.9 Å²	44.9	42%	0.419	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.6	175.3	-68.6	176.3	62.4	-160.8	-9.2	113.2	Q362 L363 H364 I368 E439	Q362-R366 WeakPolarHBondContact O-CG 3.47Å; Q362-R366 PolarHBondContact O-N 3.09Å; L363-R366 PolarHBondContact O-N 2.94Å; L363-R366 VanDerWaalsContact O-N 3.12Å; H364-R366 PolarHBondContact O-N 2.93Å; H364-R366 VanDerWaalsContact O-N 3.14Å; R366-I368 HydrophobicContact CB-CD1 4.03Å; R366-I368 HydrophobicContact CB-CG1 4.33Å; R366-I368 PolarHBondContact O-N 3.11Å; R366-E439 IonicContact CZ-OE2 3.68Å; R366-E439 VanDerWaalsContact NH1-CD 3.31Å; R366-E439 IonicContact NH1-OE1 3.63Å; R366-E439 PolarHBondContact NH1-OE1 2.88Å; R366-E439 IonicContact NH1-OE2 2.72Å; R366-E439 PolarHBondContact NH1-OE2 2.85Å; R366-E439 IonicContact NH2-OE2 3.56Å; R366-E439 PolarHBondContact NH2-OE2 3.48Å
367	Q	93.8	Very high	95.1	Very high	183 Å²	183	43.5 Å²	43.5	86%	0.855	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	32.1	-179.7	-57	179.8	-28.2	0	0	113.4	H364 N365	H364-Q367 WeakPolarHBondContact O-CA 3.09Å; H364-Q367 PolarHBondContact O-N 2.8Å; N365-Q367 VanDerWaalsContact C-N 3.28Å
368	I	93.7	Very high	95	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.051	22%	0.224	C	C	.	.			trans	-92.5	128.8	173.7	-61.2	160.8	0	0	0	108.4	L363 R366 E439 I443	L363-I368 HydrophobicContact CB-CB 4.49Å; L363-I368 HydrophobicContact CD2-CD1 3.87Å; L363-I368 PolarHBondContact O-N 2.87Å; R366-I368 HydrophobicContact CB-CD1 4.03Å; R366-I368 HydrophobicContact CB-CG1 4.33Å; R366-I368 PolarHBondContact O-N 3.11Å; I368-E439 HydrophobicContact CD1-CB 3.9Å; I368-E439 HydrophobicContact CD1-CG 4.43Å; I368-I443 HydrophobicContact CG2-CB 4.4Å; I368-I443 HydrophobicContact CG2-CG2 3.91Å
369	Y	94	Very high	95	Very high	38 Å²	38	46.2 Å²	46.2	15%	0.149	22%	0.22	C	C	.	.	S	Bend	trans	-128.8	136.5	176.4	179.3	-80.3	0	0	0	110.5	P177 E180 Q184 S444 Q445 A447	P177-Y369 HydrophobicContact CB-CE2 4.41Å; P177-Y369 HydrophobicContact CG-CD2 4.43Å; E180-Y369 HydrophobicContact CB-CE2 4.06Å; E180-Y369 PolarHBondContact O-OH 3.26Å; E180-Y369 WeakPolarHBondContact OE2-CE2 3.34Å; Q184-Y369 PolarHBondContact OE1-OH 2.74Å; Y369-S444 CarbonylContact O-C 3.58Å; Y369-S444 VanDerWaalsContact O-CA 3.22Å; Y369-S444 WeakPolarHBondContact O-CA 3.35Å; Y369-Q445 VanDerWaalsContact CD1-O 3.29Å; Y369-Q445 WeakPolarHBondContact CD1-O 3.26Å; Y369-Q445 PolarHBondContact O-N 3.4Å; Y369-A447 VanDerWaalsContact CE1-CA 3.48Å; Y369-A447 HydrophobicContact CE1-CB 3.67Å
370	P	94.1	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.244	C	C	.	.	S	Bend	cis	-72.1	137.6	-11.1	28.9	-35	0	0	0	111.1	I153 I181 I372 I443	I153-P370 HydrophobicContact CG2-CG 3.71Å; I181-P370 HydrophobicContact CD1-CB 3.92Å; I181-P370 HydrophobicContact CG1-CB 3.82Å; P370-I372 HydrophobicContact CB-CD1 4.05Å; P370-I372 HydrophobicContact CB-CG1 4.23Å; P370-I372 HydrophobicContact CG-CD1 4.04Å; P370-I372 PolarHBondContact O-N 2.94Å; P370-I443 WeakPolarHBondContact CD-O 3.23Å; P370-I443 VanDerWaalsContact O-CG2 3.23Å; P370-I443 WeakPolarHBondContact O-CG2 3.14Å
371	P	95.9	Very high	94.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.			trans	-76.9	62.2	-176.6	28.8	-32.5	0	0	0	112.6	P177 V359 D360 L363 H364	P177-P371 HydrophobicContact CG-CG 3.7Å; V359-P371 CarbonylContact C-O 3.38Å; V359-P371 WeakPolarHBondContact CA-O 3.45Å; V359-P371 HydrophobicContact CG1-CG 3.92Å; D360-P371 PolarHBondContact N-O 2.91Å; L363-P371 HydrophobicContact CB-CB 3.77Å; H364-P371 HydrophobicContact CB-CB 3.85Å; H364-P371 HydrophobicContact CB-CG 3.92Å
372	I	96	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-93.8	120.7	-178.9	-66.3	169	0	0	0	109.8	I153 S155 I156 I357 Y358 L363 P370	I153-I372 HydrophobicContact CG2-CD1 4.13Å; S155-I372 WeakPolarHBondContact OG-CD1 3.32Å; I156-I372 HydrophobicContact CD1-CD1 3.95Å; I156-I372 HydrophobicContact CG1-CD1 3.79Å; I357-I372 HydrophobicContact CG2-CD1 4.06Å; I357-I372 HydrophobicContact CG2-CG1 4.1Å; I357-I372 HydrophobicContact CG2-CG2 3.97Å; Y358-I372 WeakPolarHBondContact O-CA 3.36Å; L363-I372 WeakPolarHBondContact CD1-O 3.42Å; P370-I372 HydrophobicContact CB-CD1 4.05Å; P370-I372 HydrophobicContact CB-CG1 4.23Å; P370-I372 HydrophobicContact CG-CD1 4.04Å; P370-I372 PolarHBondContact O-N 2.94Å
373	N	95.6	Very high	94.4	Very high	22 Å²	22	51.8 Å²	51.8	12%	0.118	24%	0.241	C	C	.	.			trans	-90.5	111.5	173.9	-173.3	-11.2	0	0	0	110.2	Y358 D360 L363 L375 P376 S377	Y358-N373 HydrophobicContact CD1-CB 4.13Å; Y358-N373 PolarHBondContact O-N 2.5Å; D360-N373 HydrophobicContact CB-CB 3.6Å; D360-N373 PolarHBondContact OD2-ND2 3.42Å; L363-N373 HydrophobicContact CD1-CB 4.23Å; N373-L375 VanDerWaalsContact C-N 3.28Å; N373-L375 PolarHBondContact O-N 2.74Å; N373-L375 PolarHBondContact OD1-N 2.77Å; N373-L375 VanDerWaalsContact OD1-N 3.17Å; N373-P376 HydrophobicContact CB-CG 4.25Å; N373-P376 VanDerWaalsContact CG-CD 3.47Å; N373-P376 WeakPolarHBondContact O-CD 3.29Å; N373-P376 WeakPolarHBondContact OD1-CD 3.19Å; N373-S377 WeakPolarHBondContact O-CB 3.48Å; N373-S377 PolarHBondContact O-N 2.94Å; N373-S377 PolarHBondContact O-OG 3.32Å
374	V	94.8	Very high	94.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.1	-174	-60.7	0	0	0	0	114	M159 Y403 Y406 F438	M159-V374 HydrophobicContact CB-CB 4.48Å; M159-V374 HydrophobicContact CB-CG1 4.15Å; M159-V374 HydrophobicContact CE-CB 4.31Å; M159-V374 HydrophobicContact CE-CG2 4.38Å; M159-V374 HydrophobicContact CG-CB 4.47Å; M159-V374 HydrophobicContact CG-CG1 3.95Å; V374-Y403 WeakPolarHBondContact O-CE2 3.44Å; V374-Y406 HydrophobicContact CG2-CD1 3.54Å; V374-Y406 HydrophobicContact CG2-CE1 3.68Å; V374-Y406 HydrophobicContact CG2-CG 4.11Å; V374-F438 HydrophobicContact CG2-CE1 4.03Å; V374-F438 HydrophobicContact CG2-CZ 4.33Å
375	L	95.3	Very high	93.8	Very high	46 Å²	46	50 Å²	50	24%	0.241	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-53.5	-179.3	-69.4	173.3	0	0	0	113.6	N373 S377 Y403 Y406 A407 K410	N373-L375 VanDerWaalsContact C-N 3.28Å; N373-L375 PolarHBondContact O-N 2.74Å; N373-L375 PolarHBondContact OD1-N 2.77Å; N373-L375 VanDerWaalsContact OD1-N 3.17Å; L375-S377 VanDerWaalsContact C-N 3.28Å; L375-Y403 HydrophobicContact CD2-CE1 4.18Å; L375-Y403 HydrophobicContact CD2-CE2 4.06Å; L375-Y403 PolarHBondContact O-OH 2.66Å; L375-Y403 VanDerWaalsContact O-OH 3.07Å; L375-Y406 HydrophobicContact CD1-CD1 3.91Å; L375-Y406 HydrophobicContact CD1-CE1 3.81Å; L375-Y406 HydrophobicContact CD2-CD1 3.84Å; L375-Y406 HydrophobicContact CD2-CE1 4.44Å; L375-Y406 HydrophobicContact CG-CD1 3.58Å; L375-Y406 HydrophobicContact CG-CE1 3.67Å; L375-A407 HydrophobicContact CD2-CB 3.82Å; L375-K410 HydrophobicContact CD1-CB 4.43Å; L375-K410 HydrophobicContact CD1-CG 3.96Å
376	P	95	Very high	93.7	Very high	40 Å²	40	45.1 Å²	45.1	26%	0.26	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.7	174.8	32.3	-36.3	0	0	0	113.2	Q356 Y358 N373	Q356-P376 PolarHBondContact NE2-O 3.22Å; Y358-P376 HydrophobicContact CD1-CG 3.74Å; Y358-P376 HydrophobicContact CD2-CB 4.2Å; Y358-P376 HydrophobicContact CD2-CG 4.02Å; Y358-P376 HydrophobicContact CE1-CG 4.4Å; Y358-P376 HydrophobicContact CG-CB 4.16Å; Y358-P376 HydrophobicContact CG-CG 3.52Å; N373-P376 HydrophobicContact CB-CG 4.25Å; N373-P376 VanDerWaalsContact CG-CD 3.47Å; N373-P376 WeakPolarHBondContact O-CD 3.29Å; N373-P376 WeakPolarHBondContact OD1-CD 3.19Å
377	S	95.5	Very high	93.3	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	20%	0.199	C	C	.	.			trans	-77	144.3	175.1	-59.9	0	0	0	0	111	N160 Q356 Y358 N373 L375	N160-S377 VanDerWaalsContact ND2-CB 3.29Å; N160-S377 WeakPolarHBondContact ND2-CB 3.48Å; N160-S377 PolarHBondContact OD1-O 3.47Å; Q356-S377 CarbonylContact O-C 3.45Å; Q356-S377 WeakPolarHBondContact O-CA 3.48Å; Q356-S377 WeakPolarHBondContact O-CB 3.38Å; Y358-S377 PolarHBondContact N-OG 3.04Å; N373-S377 WeakPolarHBondContact O-CB 3.48Å; N373-S377 PolarHBondContact O-N 2.94Å; N373-S377 PolarHBondContact O-OG 3.32Å; L375-S377 VanDerWaalsContact C-N 3.28Å
378	L	95.1	Very high	92.7	Very high	84 Å²	84	37 Å²	37	44%	0.44	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	143.3	-180	-179.2	65.7	0	0	0	110.1	N160 G355 Q356 R380	N160-L378 WeakPolarHBondContact OD1-CA 3.48Å; N160-L378 PolarHBondContact OD1-N 3.08Å; G355-L378 CarbonylContact C-O 3.6Å; G355-L378 WeakPolarHBondContact CA-O 3.43Å; Q356-L378 PolarHBondContact N-O 2.75Å; Q356-L378 PolarHBondContact O-N 2.62Å; L378-R380 HydrophobicContact CD2-CG 4.25Å
379	S	95.4	Very high	92.1	Very high	7 Å²	7	43 Å²	43	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.8	161.1	173.7	0	0	0	0	109.8	N160 S161 Q166 M382	N160-S379 PolarHBondContact OD1-N 2.77Å; S161-S379 WeakPolarHBondContact O-CB 3.44Å; S161-S379 PolarHBondContact O-OG 3.16Å; Q166-S379 PolarHBondContact NE2-OG 3.13Å; Q166-S379 PolarHBondContact OE1-OG 3.35Å; S379-M382 WeakPolarHBondContact O-CB 3.12Å; S379-M382 PolarHBondContact O-N 3.21Å; S379-M382 PolarHBondContact OG-N 3.4Å
380	R	93	Very high	91.6	Very high	139 Å²	139	43.7 Å²	43.7	53%	0.525	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-32.4	-178.8	-64	-177	-170.5	176.1	8.2	112.4	G350 E354 L378 M382	G350-R380 PolarHBondContact O-NH2 3.26Å; E354-R380 HydrophobicContact CB-CB 4.4Å; E354-R380 VanDerWaalsContact O-CB 3.28Å; E354-R380 WeakPolarHBondContact O-CB 3.23Å; E354-R380 WeakPolarHBondContact O-CG 3.42Å; E354-R380 PolarHBondContact O-N 3.47Å; L378-R380 HydrophobicContact CD2-CG 4.25Å; R380-M382 VanDerWaalsContact C-N 3.31Å
381	L	92.4	Very high	91.2	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1	179.5	-60.3	-169.8	0	0	0	113.8	Y144 P145 A163 Q166 E354 K383 S384 A385	Y144-L381 HydrophobicContact CE2-CD2 3.79Å; Y144-L381 VanDerWaalsContact OH-CD2 3.26Å; Y144-L381 WeakPolarHBondContact OH-CD2 3.48Å; P145-L381 HydrophobicContact CB-CD1 3.92Å; P145-L381 HydrophobicContact CG-CD1 3.84Å; A163-L381 HydrophobicContact CB-CB 3.94Å; A163-L381 HydrophobicContact CB-CD1 4.19Å; Q166-L381 HydrophobicContact CB-CD1 3.98Å; Q166-L381 HydrophobicContact CG-CB 4.48Å; Q166-L381 HydrophobicContact CG-CD1 3.84Å; Q166-L381 HydrophobicContact CG-CG 4.25Å; E354-L381 WeakPolarHBondContact OE2-CD1 3.34Å; L381-K383 PolarHBondContact O-N 3.12Å; L381-S384 PolarHBondContact O-N 3.27Å; L381-A385 PolarHBondContact O-N 3.18Å
382	M	92.5	Very high	90.8	Very high	22 Å²	22	45.8 Å²	45.8	11%	0.108	24%	0.235	C	C	.	.	H	α-helix	trans	-51	-43.7	178.8	177.9	-177.5	-178.6	0	0	112.5	V158 M159 S379 R380 S384 A385 I386 S399	V158-M382 WeakPolarHBondContact O-CE 3.2Å; M159-M382 VanDerWaalsContact O-SD 3.38Å; S379-M382 WeakPolarHBondContact O-CB 3.12Å; S379-M382 PolarHBondContact O-N 3.21Å; S379-M382 PolarHBondContact OG-N 3.4Å; R380-M382 VanDerWaalsContact C-N 3.31Å; M382-S384 PolarHBondContact O-N 3.07Å; M382-S384 VanDerWaalsContact O-N 3.11Å; M382-A385 PolarHBondContact O-N 3.41Å; M382-A385 VanDerWaalsContact O-N 3.11Å; M382-I386 HydrophobicContact CE-CD1 3.85Å; M382-I386 HydrophobicContact CE-CG2 4.49Å; M382-I386 HydrophobicContact CG-CD1 4.08Å; M382-I386 HydrophobicContact CG-CG2 4.18Å; M382-I386 WeakPolarHBondContact O-CG1 3.4Å; M382-I386 WeakPolarHBondContact O-CG2 3.41Å; M382-I386 PolarHBondContact O-N 2.69Å; M382-S399 WeakPolarHBondContact CE-OG 3.27Å
383	K	91.3	Very high	90.6	Very high	178 Å²	178	49 Å²	49	77%	0.774	25%	0.25	S	C	*	.	H	α-helix	trans	-58.5	-28.7	-177.3	-65.7	-173.3	179.4	-178.7	0	113.7	L381	L381-K383 PolarHBondContact O-N 3.12Å
384	S	89.6	Confident	90.4	Very high	33 Å²	33	47.9 Å²	47.9	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-89.1	-27.3	-176.7	-46.9	0	0	0	0	111.7	Y144 L381 M382	Y144-S384 WeakPolarHBondContact CE1-OG 3.49Å; Y144-S384 PolarHBondContact OH-OG 3.11Å; L381-S384 PolarHBondContact O-N 3.27Å; M382-S384 PolarHBondContact O-N 3.07Å; M382-S384 VanDerWaalsContact O-N 3.11Å
385	A	89	Confident	90.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-82.9	-16.9	179.5	0	0	0	0	0	113.7	E146 M148 A163 L381 M382 M390	E146-A385 WeakPolarHBondContact O-CA 3.2Å; M148-A385 HydrophobicContact CB-CB 4.05Å; A163-A385 HydrophobicContact CB-CB 4.13Å; L381-A385 PolarHBondContact O-N 3.18Å; M382-A385 PolarHBondContact O-N 3.41Å; M382-A385 VanDerWaalsContact O-N 3.11Å; A385-M390 VanDerWaalsContact O-CB 3.32Å; A385-M390 WeakPolarHBondContact O-CB 3.21Å
386	I	91.3	Very high	90.3	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.087	25%	0.247	C	C	.	.	S	Bend	trans	-111.9	162.1	-174.9	72.9	-178.7	0	0	0	112.3	M382 H395	M382-I386 HydrophobicContact CE-CD1 3.85Å; M382-I386 HydrophobicContact CE-CG2 4.49Å; M382-I386 HydrophobicContact CG-CD1 4.08Å; M382-I386 HydrophobicContact CG-CG2 4.18Å; M382-I386 WeakPolarHBondContact O-CG1 3.4Å; M382-I386 WeakPolarHBondContact O-CG2 3.41Å; M382-I386 PolarHBondContact O-N 2.69Å; I386-H395 HydrophobicContact CB-CB 4.26Å; I386-H395 WeakPolarHBondContact CG2-CE1 3.12Å; I386-H395 WeakPolarHBondContact CG2-ND1 3.43Å
387	G	86	Confident	90.3	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	115.4	-165.4	175	0	0	0	0	0	113.4	N389 M390 T391	G387-N389 PolarHBondContact O-N 3.44Å; G387-M390 PolarHBondContact O-N 2.72Å; G387-T391 PolarHBondContact N-OG1 2.6Å; G387-T391 PolarHBondContact O-N 3.48Å; G387-T391 VanDerWaalsContact O-N 3.08Å
388	V	82.2	Confident	90.2	Very high	105 Å²	105	47.1 Å²	47.1	64%	0.636	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	132.5	-176.5	-173	0	0	0	0	109.4	M390 E393	V388-M390 VanDerWaalsContact C-N 3.27Å; V388-M390 PolarHBondContact O-N 2.75Å; V388-E393 HydrophobicContact CG2-CB 4.02Å
389	N	81.1	Confident	90.2	Very high	136 Å²	136	43.4 Å²	43.4	73%	0.727	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-3.1	-176.3	-48.5	-34.7	0	0	0	116.9	L194 G387	L194-N389 WeakPolarHBondContact CD1-O 3.49Å; G387-N389 PolarHBondContact O-N 3.44Å
390	M	83.7	Confident	90.1	Very high	52 Å²	52	46.5 Å²	46.5	26%	0.256	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-46.1	175.2	-59.9	-58.8	-173.4	0	0	112.1	E146 L194 A385 G387 V388	E146-M390 HydrophobicContact CB-CE 4.02Å; L194-M390 WeakPolarHBondContact CD1-O 3.31Å; A385-M390 VanDerWaalsContact O-CB 3.32Å; A385-M390 WeakPolarHBondContact O-CB 3.21Å; G387-M390 PolarHBondContact O-N 2.72Å; V388-M390 VanDerWaalsContact C-N 3.27Å; V388-M390 PolarHBondContact O-N 2.75Å
391	T	84.1	Confident	90.2	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	21%	0.214	C	C	.	.	S	Bend	trans	-133.7	-96.5	175.2	48.1	0	0	0	0	110	M148 V192 G387 H395 V453 F454	M148-T391 HydrophobicContact CB-CG2 4.45Å; M148-T391 HydrophobicContact SD-CG2 3.38Å; M148-T391 WeakPolarHBondContact SD-CG2 3.28Å; V192-T391 HydrophobicContact CG2-CG2 4.41Å; G387-T391 PolarHBondContact N-OG1 2.6Å; G387-T391 PolarHBondContact O-N 3.48Å; G387-T391 VanDerWaalsContact O-N 3.08Å; T391-H395 PolarHBondContact OG1-ND1 2.86Å; T391-V453 HydrophobicContact CG2-CG1 4.11Å; T391-F454 WeakPolarHBondContact O-CE1 3.44Å
392	R	87.6	Confident	90.4	Very high	35 Å²	35	39.5 Å²	39.5	13%	0.132	21%	0.211	C	C	.	.			trans	-142.6	154.4	177.4	-158.1	171.5	117.7	177.5	-7.9	108.7	D394 H395 F454 L457 D458 Y483	R392-D394 VanDerWaalsContact CB-OD1 3.23Å; R392-D394 WeakPolarHBondContact CB-OD1 3.41Å; R392-D394 VanDerWaalsContact CD-OD1 3.25Å; R392-D394 WeakPolarHBondContact CD-OD1 3.39Å; R392-D394 WeakPolarHBondContact CG-OD1 3.46Å; R392-D394 IonicContact CZ-OD1 3.74Å; R392-D394 IonicContact CZ-OD2 3.18Å; R392-D394 IonicContact NE-OD1 2.79Å; R392-D394 PolarHBondContact NE-OD1 3.14Å; R392-D394 IonicContact NE-OD2 3.01Å; R392-D394 PolarHBondContact NE-OD2 2.77Å; R392-D394 IonicContact NH2-OD1 3.98Å; R392-D394 IonicContact NH2-OD2 2.69Å; R392-D394 PolarHBondContact NH2-OD2 3.27Å; R392-D394 PolarHBondContact O-N 2.83Å; R392-H395 PolarHBondContact O-N 3.33Å; R392-F454 HydrophobicContact CB-CD1 4.48Å; R392-F454 HydrophobicContact CB-CE1 4.29Å; R392-L457 HydrophobicContact CB-CD1 3.86Å; R392-D458 IonicContact CZ-OD1 3.63Å; R392-D458 IonicContact NH1-OD1 2.77Å; R392-D458 PolarHBondContact NH1-OD1 3.05Å; R392-D458 IonicContact NH1-OD2 3.96Å; R392-D458 IonicContact NH2-OD1 3.56Å; R392-Y483 PolarHBondContact NE-OH 3.17Å
393	E	91.5	Very high	90.5	Very high	66 Å²	66	42.8 Å²	42.8	31%	0.308	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.4	-173.8	71.1	-169.2	153	0	0	114.4	V388 K482 Y483	V388-E393 HydrophobicContact CG2-CB 4.02Å; E393-K482 WeakPolarHBondContact OE1-CD 3.5Å; E393-K482 WeakPolarHBondContact OE1-CE 3.47Å; E393-K482 IonicContact OE1-NZ 2.65Å; E393-K482 PolarHBondContact OE1-NZ 2.78Å; E393-Y483 HydrophobicContact CG-CE2 4.36Å; E393-Y483 PolarHBondContact OE1-OH 2.65Å
394	D	92.7	Very high	90.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.7	-171.8	60.3	-34.3	0	0	0	114.2	R392 S396 D397 V398 W461 I479 Y483	R392-D394 VanDerWaalsContact CB-OD1 3.23Å; R392-D394 WeakPolarHBondContact CB-OD1 3.41Å; R392-D394 VanDerWaalsContact CD-OD1 3.25Å; R392-D394 WeakPolarHBondContact CD-OD1 3.39Å; R392-D394 WeakPolarHBondContact CG-OD1 3.46Å; R392-D394 IonicContact CZ-OD1 3.74Å; R392-D394 IonicContact CZ-OD2 3.18Å; R392-D394 IonicContact NE-OD1 2.79Å; R392-D394 PolarHBondContact NE-OD1 3.14Å; R392-D394 IonicContact NE-OD2 3.01Å; R392-D394 PolarHBondContact NE-OD2 2.77Å; R392-D394 IonicContact NH2-OD1 3.98Å; R392-D394 IonicContact NH2-OD2 2.69Å; R392-D394 PolarHBondContact NH2-OD2 3.27Å; R392-D394 PolarHBondContact O-N 2.83Å; D394-S396 VanDerWaalsContact C-N 3.33Å; D394-S396 PolarHBondContact O-N 2.84Å; D394-D397 PolarHBondContact O-N 3.42Å; D394-V398 HydrophobicContact CB-CG2 4.25Å; D394-V398 WeakPolarHBondContact O-CB 3.49Å; D394-V398 VanDerWaalsContact O-CG2 3.29Å; D394-V398 WeakPolarHBondContact O-CG2 3.35Å; D394-V398 PolarHBondContact O-N 3.03Å; D394-W461 HydrophobicContact CB-CZ2 4.23Å; D394-W461 PolarHBondContact OD2-NE1 3.44Å; D394-I479 HydrophobicContact CB-CG2 3.59Å; D394-Y483 HydrophobicContact CB-CD2 4.13Å; D394-Y483 HydrophobicContact CB-CE2 3.86Å
395	H	94.1	Very high	91	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-53.8	-48.3	-174.4	-168.9	161.4	0	0	0	111.9	D157 V158 S161 I386 T391 R392 D397 S399 L457	D157-H395 PolarHBondContact O-CE1 2.77Å; D157-H395 VanDerWaalsContact O-CE1 3.31Å; D157-H395 PolarHBondContact O-NE2 2.83Å; V158-H395 WeakPolarHBondContact CA-NE2 3.47Å; V158-H395 PolarHBondContact O-NE2 3.08Å; S161-H395 PolarHBondContact OG-CE1 2.79Å; S161-H395 PolarHBondContact OG-NE2 3.21Å; I386-H395 HydrophobicContact CB-CB 4.26Å; I386-H395 WeakPolarHBondContact CG2-CE1 3.12Å; I386-H395 WeakPolarHBondContact CG2-ND1 3.43Å; T391-H395 PolarHBondContact OG1-ND1 2.86Å; R392-H395 PolarHBondContact O-N 3.33Å; H395-D397 PolarHBondContact O-N 2.99Å; H395-S399 VanDerWaalsContact O-CB 3.32Å; H395-S399 WeakPolarHBondContact O-CB 3.44Å; H395-S399 PolarHBondContact O-N 3.08Å; H395-L457 HydrophobicContact CB-CD1 4.22Å; H395-L457 HydrophobicContact CB-CD2 4.19Å
396	S	93.5	Very high	91.3	Very high	44 Å²	44	33.3 Å²	33.3	31%	0.308	18%	0.18	S	C	.	.	H	α-helix	trans	-61.8	-43.7	-177.6	-168.5	0	0	0	0	112.5	D394 N400	D394-S396 VanDerWaalsContact C-N 3.33Å; D394-S396 PolarHBondContact O-N 2.84Å; S396-N400 WeakPolarHBondContact O-CB 3.04Å; S396-N400 VanDerWaalsContact O-CG 3.22Å; S396-N400 PolarHBondContact O-N 2.8Å; S396-N400 PolarHBondContact O-ND2 3.06Å
397	D	94	Very high	91.6	Very high	30 Å²	30	33.9 Å²	33.9	16%	0.16	19%	0.187	C	C	.	.	H	α-helix	trans	-73.7	-41.5	-175.7	-60.5	-53.6	0	0	0	111.7	D394 H395 N400 Q401 I475 P476 I479	D394-D397 PolarHBondContact O-N 3.42Å; H395-D397 PolarHBondContact O-N 2.99Å; D397-N400 PolarHBondContact O-N 3.4Å; D397-Q401 VanDerWaalsContact O-CB 3.29Å; D397-Q401 WeakPolarHBondContact O-CB 3Å; D397-Q401 PolarHBondContact O-N 3.09Å; D397-I475 HydrophobicContact CB-CG1 4.33Å; D397-I475 HydrophobicContact CB-CG2 4.45Å; D397-P476 WeakPolarHBondContact OD1-CD 3.48Å; D397-P476 WeakPolarHBondContact OD2-CD 3.41Å; D397-I479 WeakPolarHBondContact OD2-CD1 3.13Å
398	V	94	Very high	92	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-48.9	175.6	172	0	0	0	0	110.2	D394 Q401 L402 L457 W461 L464	D394-V398 HydrophobicContact CB-CG2 4.25Å; D394-V398 WeakPolarHBondContact O-CB 3.49Å; D394-V398 VanDerWaalsContact O-CG2 3.29Å; D394-V398 WeakPolarHBondContact O-CG2 3.35Å; D394-V398 PolarHBondContact O-N 3.03Å; V398-Q401 PolarHBondContact O-N 3.14Å; V398-L402 HydrophobicContact CG1-CD1 3.72Å; V398-L402 HydrophobicContact CG1-CG 4.23Å; V398-L402 WeakPolarHBondContact O-CB 3.35Å; V398-L402 VanDerWaalsContact O-CG 3.26Å; V398-L402 WeakPolarHBondContact O-CG 3.36Å; V398-L402 PolarHBondContact O-N 3.31Å; V398-L457 HydrophobicContact CB-CD2 4.42Å; V398-L457 HydrophobicContact CG1-CD2 4.31Å; V398-W461 HydrophobicContact CG2-CD2 4.23Å; V398-W461 VanDerWaalsContact CG2-CE2 3.41Å; V398-W461 HydrophobicContact CG2-CH2 4.41Å; V398-W461 HydrophobicContact CG2-CZ2 3.52Å; V398-L464 HydrophobicContact CG1-CD1 4.1Å; V398-L464 HydrophobicContact CG2-CD1 4.46Å
399	S	94.8	Very high	92.6	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-47.2	179.3	-174.6	0	0	0	0	112.3	V158 M382 H395 Q401 L402 Y403	V158-S399 VanDerWaalsContact O-CB 3.26Å; V158-S399 WeakPolarHBondContact O-CB 3.41Å; V158-S399 PolarHBondContact O-OG 3.01Å; M382-S399 WeakPolarHBondContact CE-OG 3.27Å; H395-S399 VanDerWaalsContact O-CB 3.32Å; H395-S399 WeakPolarHBondContact O-CB 3.44Å; H395-S399 PolarHBondContact O-N 3.08Å; S399-Q401 VanDerWaalsContact C-N 3.31Å; S399-Q401 PolarHBondContact O-N 3.28Å; S399-L402 PolarHBondContact O-N 3.16Å; S399-Y403 WeakPolarHBondContact O-CB 3.31Å; S399-Y403 PolarHBondContact O-N 2.77Å
400	N	94.9	Very high	93.2	Very high	71 Å²	71	26.7 Å²	26.7	38%	0.38	14%	0.137	S	C	.	.	H	α-helix	trans	-61.6	-37.5	177.6	-78.3	-34.6	0	0	0	112.9	S396 D397 A404 R474	S396-N400 WeakPolarHBondContact O-CB 3.04Å; S396-N400 VanDerWaalsContact O-CG 3.22Å; S396-N400 PolarHBondContact O-N 2.8Å; S396-N400 PolarHBondContact O-ND2 3.06Å; D397-N400 PolarHBondContact O-N 3.4Å; N400-A404 WeakPolarHBondContact O-CB 3.41Å; N400-A404 PolarHBondContact O-N 3.36Å; N400-A404 VanDerWaalsContact O-N 3.15Å; N400-R474 WeakPolarHBondContact O-CD 3.09Å
401	Q	94.7	Very high	93.7	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-74.2	-44	178.6	-174.8	65.4	40.1	0	0	111.4	D397 V398 S399 Y403 A404 C405 L464 L472 R474 I475	D397-Q401 VanDerWaalsContact O-CB 3.29Å; D397-Q401 WeakPolarHBondContact O-CB 3Å; D397-Q401 PolarHBondContact O-N 3.09Å; V398-Q401 PolarHBondContact O-N 3.14Å; S399-Q401 VanDerWaalsContact C-N 3.31Å; S399-Q401 PolarHBondContact O-N 3.28Å; Q401-Y403 VanDerWaalsContact C-N 3.3Å; Q401-Y403 PolarHBondContact O-N 2.98Å; Q401-A404 PolarHBondContact O-N 3.35Å; Q401-C405 PolarHBondContact NE2-SG 3.25Å; Q401-C405 WeakPolarHBondContact O-CB 3.48Å; Q401-C405 PolarHBondContact O-N 3.29Å; Q401-C405 PolarHBondContact O-SG 2.94Å; Q401-C405 VanDerWaalsContact O-SG 3.36Å; Q401-L464 HydrophobicContact CB-CD2 4.31Å; Q401-L464 HydrophobicContact CG-CD1 4.44Å; Q401-L464 HydrophobicContact CG-CD2 3.63Å; Q401-L472 HydrophobicContact CG-CD2 3.83Å; Q401-R474 HydrophobicContact CB-CB 4.45Å; Q401-I475 HydrophobicContact CB-CD1 3.93Å; Q401-I475 HydrophobicContact CB-CG1 3.85Å; Q401-I475 HydrophobicContact CG-CD1 3.89Å; Q401-I475 HydrophobicContact CG-CG1 4.05Å
402	L	95.5	Very high	94.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-44	174.4	-73	172.4	0	0	0	111	V158 M159 V398 S399 A404 C405 Y406 F434 F438 F442 L464	V158-L402 HydrophobicContact CG1-CD1 4.46Å; M159-L402 HydrophobicContact CE-CB 4.23Å; M159-L402 HydrophobicContact SD-CB 3.95Å; M159-L402 HydrophobicContact SD-CD1 4.18Å; V398-L402 HydrophobicContact CG1-CD1 3.72Å; V398-L402 HydrophobicContact CG1-CG 4.23Å; V398-L402 WeakPolarHBondContact O-CB 3.35Å; V398-L402 VanDerWaalsContact O-CG 3.26Å; V398-L402 WeakPolarHBondContact O-CG 3.36Å; V398-L402 PolarHBondContact O-N 3.31Å; S399-L402 PolarHBondContact O-N 3.16Å; L402-A404 PolarHBondContact O-N 2.65Å; L402-C405 PolarHBondContact O-N 2.9Å; L402-Y406 VanDerWaalsContact O-CB 3.28Å; L402-Y406 WeakPolarHBondContact O-CB 3.46Å; L402-Y406 PolarHBondContact O-N 2.75Å; L402-F434 HydrophobicContact CD2-CE2 3.72Å; L402-F434 HydrophobicContact CD2-CZ 3.71Å; L402-F438 HydrophobicContact CB-CE2 4.22Å; L402-F438 HydrophobicContact CD1-CE2 4.34Å; L402-F438 HydrophobicContact CD2-CD2 4.19Å; L402-F438 HydrophobicContact CD2-CE2 4.07Å; L402-F438 HydrophobicContact CG-CE2 4.45Å; L402-F442 HydrophobicContact CD1-CE2 4.13Å; L402-F442 HydrophobicContact CD1-CZ 4.07Å; L402-L464 HydrophobicContact CD2-CD1 4.47Å; L402-L464 HydrophobicContact CD2-CD2 3.82Å; L402-L464 HydrophobicContact CD2-CG 3.9Å; L402-L464 HydrophobicContact CG-CD1 4.45Å; L402-L464 HydrophobicContact CG-CD2 4.31Å; L402-L464 HydrophobicContact CG-CG 4.39Å
403	Y	96	Very high	94.5	Very high	92 Å²	92	31.1 Å²	31.1	36%	0.361	16%	0.162	S	C	.	.	H	α-helix	trans	-60	-46.7	176.4	-173.7	-81.7	0	0	0	111.5	M159 V374 L375 S399 Q401 Y406 A407	M159-Y403 HydrophobicContact CE-CD2 4.22Å; V374-Y403 WeakPolarHBondContact O-CE2 3.44Å; L375-Y403 HydrophobicContact CD2-CE1 4.18Å; L375-Y403 HydrophobicContact CD2-CE2 4.06Å; L375-Y403 PolarHBondContact O-OH 2.66Å; L375-Y403 VanDerWaalsContact O-OH 3.07Å; S399-Y403 WeakPolarHBondContact O-CB 3.31Å; S399-Y403 PolarHBondContact O-N 2.77Å; Q401-Y403 VanDerWaalsContact C-N 3.3Å; Q401-Y403 PolarHBondContact O-N 2.98Å; Y403-Y406 PolarHBondContact O-N 3.02Å; Y403-A407 WeakPolarHBondContact O-CB 3.41Å; Y403-A407 PolarHBondContact O-N 3.25Å
404	A	95.6	Very high	94.6	Very high	11 Å²	11	30.8 Å²	30.8	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-45.4	179.2	0	0	0	0	0	112.2	N400 Q401 L402 Y406 A407 I408	N400-A404 WeakPolarHBondContact O-CB 3.41Å; N400-A404 PolarHBondContact O-N 3.36Å; N400-A404 VanDerWaalsContact O-N 3.15Å; Q401-A404 PolarHBondContact O-N 3.35Å; L402-A404 PolarHBondContact O-N 2.65Å; A404-Y406 VanDerWaalsContact C-N 3.3Å; A404-Y406 PolarHBondContact O-N 3.22Å; A404-A407 PolarHBondContact O-N 3.39Å; A404-I408 VanDerWaalsContact O-CG1 3.3Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 3.29Å
405	C	95.4	Very high	94.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-38.5	176.3	-70.4	0	0	0	0	111.8	Q401 L402 G409 Y431 F434 F467	Q401-C405 PolarHBondContact NE2-SG 3.25Å; Q401-C405 WeakPolarHBondContact O-CB 3.48Å; Q401-C405 PolarHBondContact O-N 3.29Å; Q401-C405 PolarHBondContact O-SG 2.94Å; Q401-C405 VanDerWaalsContact O-SG 3.36Å; L402-C405 PolarHBondContact O-N 2.9Å; C405-G409 PolarHBondContact O-N 3.12Å; C405-Y431 HydrophobicContact CB-CD1 4.36Å; C405-Y431 HydrophobicContact CB-CE1 4.1Å; C405-F434 HydrophobicContact CB-CD1 3.85Å; C405-F434 HydrophobicContact CB-CE1 3.44Å; C405-F434 VanDerWaalsContact CB-CE1 3.44Å; C405-F434 HydrophobicContact CB-CE2 4.36Å; C405-F434 HydrophobicContact CB-CG 4.48Å; C405-F434 HydrophobicContact CB-CZ 3.72Å; C405-F467 HydrophobicContact CB-CE2 4.17Å; C405-F467 HydrophobicContact CB-CZ 4.39Å
406	Y	95.6	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-41.2	178.8	-171.9	-103	0	0	0	112	V374 L375 L402 Y403 A404 G409 K410 L435 F438 E439	V374-Y406 HydrophobicContact CG2-CD1 3.54Å; V374-Y406 HydrophobicContact CG2-CE1 3.68Å; V374-Y406 HydrophobicContact CG2-CG 4.11Å; L375-Y406 HydrophobicContact CD1-CD1 3.91Å; L375-Y406 HydrophobicContact CD1-CE1 3.81Å; L375-Y406 HydrophobicContact CD2-CD1 3.84Å; L375-Y406 HydrophobicContact CD2-CE1 4.44Å; L375-Y406 HydrophobicContact CG-CD1 3.58Å; L375-Y406 HydrophobicContact CG-CE1 3.67Å; L402-Y406 VanDerWaalsContact O-CB 3.28Å; L402-Y406 WeakPolarHBondContact O-CB 3.46Å; L402-Y406 PolarHBondContact O-N 2.75Å; Y403-Y406 PolarHBondContact O-N 3.02Å; A404-Y406 VanDerWaalsContact C-N 3.3Å; A404-Y406 PolarHBondContact O-N 3.22Å; Y406-G409 PolarHBondContact O-N 3.26Å; Y406-K410 HydrophobicContact CE1-CG 4.22Å; Y406-K410 VanDerWaalsContact CZ-CE 3.42Å; Y406-K410 WeakPolarHBondContact O-CG 3.33Å; Y406-K410 PolarHBondContact O-N 3.43Å; Y406-K410 WeakPolarHBondContact OH-CE 3.47Å; Y406-L435 HydrophobicContact CD2-CD1 3.46Å; Y406-L435 VanDerWaalsContact CD2-CD1 3.46Å; Y406-L435 HydrophobicContact CE2-CD1 3.32Å; Y406-L435 HydrophobicContact CG-CD1 4.38Å; Y406-F438 AromaticContact CD2-CD1 3.36Å; Y406-F438 HydrophobicContact CD2-CD1 3.36Å; Y406-F438 AromaticContact CD2-CE1 3.64Å; Y406-F438 HydrophobicContact CD2-CE1 3.64Å; Y406-F438 HydrophobicContact CD2-CG 4.2Å; Y406-F438 AromaticContact CE2-CD1 3.61Å; Y406-F438 HydrophobicContact CE2-CD1 3.61Å; Y406-F438 AromaticContact CE2-CE1 3.94Å; Y406-F438 HydrophobicContact CE2-CE1 3.94Å; Y406-F438 HydrophobicContact CG-CD1 4.25Å; Y406-F438 HydrophobicContact CG-CE1 4.12Å; Y406-E439 HydrophobicContact CE2-CG 4.19Å
407	A	95.8	Very high	94.6	Very high	28 Å²	28	40.5 Å²	40.5	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-50.1	174.9	0	0	0	0	0	111.8	L375 Y403 A404 G409 K410 D411	L375-A407 HydrophobicContact CD2-CB 3.82Å; Y403-A407 WeakPolarHBondContact O-CB 3.41Å; Y403-A407 PolarHBondContact O-N 3.25Å; A404-A407 PolarHBondContact O-N 3.39Å; A407-G409 VanDerWaalsContact C-N 3.32Å; A407-G409 PolarHBondContact O-N 3Å; A407-K410 PolarHBondContact O-N 3.14Å; A407-D411 PolarHBondContact O-N 3.08Å; A407-D411 VanDerWaalsContact O-N 3.12Å
408	I	95.3	Very high	94.6	Very high	67 Å²	67	45.1 Å²	45.1	34%	0.344	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-43.4	176.5	-64.1	166.3	0	0	0	110.2	A404 K410 D411 V412 Y431	A404-I408 VanDerWaalsContact O-CG1 3.3Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 3.29Å; I408-K410 VanDerWaalsContact C-N 3.3Å; I408-K410 PolarHBondContact O-N 2.61Å; I408-D411 PolarHBondContact O-N 2.91Å; I408-V412 HydrophobicContact CG2-CG2 4.12Å; I408-V412 WeakPolarHBondContact O-CB 3.41Å; I408-V412 VanDerWaalsContact O-CG2 3.25Å; I408-V412 WeakPolarHBondContact O-CG2 3.34Å; I408-V412 PolarHBondContact O-N 2.86Å; I408-Y431 HydrophobicContact CB-CD1 4.17Å; I408-Y431 HydrophobicContact CB-CE1 4.1Å; I408-Y431 HydrophobicContact CD1-CE1 4.25Å; I408-Y431 HydrophobicContact CG2-CD1 3.96Å; I408-Y431 HydrophobicContact CG2-CD2 3.84Å; I408-Y431 HydrophobicContact CG2-CE1 3.98Å; I408-Y431 HydrophobicContact CG2-CE2 3.86Å; I408-Y431 HydrophobicContact CG2-CG 3.91Å
409	G	94.6	Very high	94.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-35.9	177.6	0	0	0	0	0	113.8	C405 Y406 A407 Q413	C405-G409 PolarHBondContact O-N 3.12Å; Y406-G409 PolarHBondContact O-N 3.26Å; A407-G409 VanDerWaalsContact C-N 3.32Å; A407-G409 PolarHBondContact O-N 3Å; G409-Q413 WeakPolarHBondContact O-CB 3.34Å; G409-Q413 PolarHBondContact O-N 2.93Å
410	K	93.6	Very high	94.3	Very high	42 Å²	42	50.6 Å²	50.6	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-42.1	174.1	-74.2	-65.6	-176.5	-166.2	0	112.4	L375 Y406 A407 I408 V412 Q413 A414 L435 E439	L375-K410 HydrophobicContact CD1-CB 4.43Å; L375-K410 HydrophobicContact CD1-CG 3.96Å; Y406-K410 HydrophobicContact CE1-CG 4.22Å; Y406-K410 VanDerWaalsContact CZ-CE 3.42Å; Y406-K410 WeakPolarHBondContact O-CG 3.33Å; Y406-K410 PolarHBondContact O-N 3.43Å; Y406-K410 WeakPolarHBondContact OH-CE 3.47Å; A407-K410 PolarHBondContact O-N 3.14Å; I408-K410 VanDerWaalsContact C-N 3.3Å; I408-K410 PolarHBondContact O-N 2.61Å; K410-V412 VanDerWaalsContact C-N 3.34Å; K410-Q413 WeakPolarHBondContact O-CB 3.25Å; K410-Q413 PolarHBondContact O-N 2.95Å; K410-A414 PolarHBondContact O-N 2.95Å; K410-L435 HydrophobicContact CD-CD1 4.05Å; K410-L435 HydrophobicContact CD-CD2 4.26Å; K410-L435 HydrophobicContact CG-CD1 4.16Å; K410-E439 IonicContact NZ-OE1 3.05Å; K410-E439 PolarHBondContact NZ-OE1 2.9Å
411	D	94.5	Very high	93.9	Very high	110 Å²	110	52.5 Å²	52.5	59%	0.588	30%	0.301	S	S	*	.	H	α-helix	trans	-62.5	-43.5	175	-70.9	-19.8	0	0	0	111.1	A407 I408 Q413 A414 M415	A407-D411 PolarHBondContact O-N 3.08Å; A407-D411 VanDerWaalsContact O-N 3.12Å; I408-D411 PolarHBondContact O-N 2.91Å; D411-Q413 VanDerWaalsContact C-N 3.35Å; D411-Q413 PolarHBondContact O-N 3.2Å; D411-A414 WeakPolarHBondContact O-CB 3.42Å; D411-A414 PolarHBondContact O-N 3.39Å; D411-M415 WeakPolarHBondContact O-CG 3.49Å; D411-M415 PolarHBondContact O-N 2.74Å
412	V	94.7	Very high	93.6	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-38.8	175	175.2	0	0	0	0	111.7	I408 K410 A414 M415 K416 L424 D428 L432	I408-V412 HydrophobicContact CG2-CG2 4.12Å; I408-V412 WeakPolarHBondContact O-CB 3.41Å; I408-V412 VanDerWaalsContact O-CG2 3.25Å; I408-V412 WeakPolarHBondContact O-CG2 3.34Å; I408-V412 PolarHBondContact O-N 2.86Å; K410-V412 VanDerWaalsContact C-N 3.34Å; V412-A414 VanDerWaalsContact C-N 3.31Å; V412-A414 PolarHBondContact O-N 2.76Å; V412-M415 HydrophobicContact CB-CE 4.25Å; V412-M415 HydrophobicContact CG2-CE 3.76Å; V412-M415 PolarHBondContact O-N 3.2Å; V412-K416 WeakPolarHBondContact O-CB 3.38Å; V412-K416 PolarHBondContact O-N 3.37Å; V412-L424 HydrophobicContact CG1-CD2 4.14Å; V412-D428 HydrophobicContact CG1-CB 3.65Å; V412-D428 HydrophobicContact CG2-CB 4.35Å; V412-D428 WeakPolarHBondContact CG2-OD1 2.85Å; V412-L432 HydrophobicContact CB-CD2 4.5Å; V412-L432 HydrophobicContact CG1-CD1 4.17Å; V412-L432 HydrophobicContact CG1-CD2 3.95Å; V412-L432 HydrophobicContact CG1-CG 3.78Å
413	Q	93.4	Very high	93.4	Very high	78 Å²	78	65.2 Å²	65.2	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-39.6	174.3	-175.3	176.1	39.7	0	0	111.8	G409 K410 D411 A417 L432 L435	G409-Q413 WeakPolarHBondContact O-CB 3.34Å; G409-Q413 PolarHBondContact O-N 2.93Å; K410-Q413 WeakPolarHBondContact O-CB 3.25Å; K410-Q413 PolarHBondContact O-N 2.95Å; D411-Q413 VanDerWaalsContact C-N 3.35Å; D411-Q413 PolarHBondContact O-N 3.2Å; Q413-A417 PolarHBondContact O-N 2.67Å; Q413-L432 HydrophobicContact CB-CD2 3.94Å; Q413-L435 HydrophobicContact CB-CD2 3.99Å; Q413-L435 HydrophobicContact CG-CD2 4.31Å; Q413-L435 VanDerWaalsContact OE1-CD2 3.29Å
414	A	93.7	Very high	93.1	Very high	59 Å²	59	61.8 Å²	61.8	49%	0.488	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-42.4	173.7	0	0	0	0	0	111.5	K410 D411 V412 A417 V418	K410-A414 PolarHBondContact O-N 2.95Å; D411-A414 WeakPolarHBondContact O-CB 3.42Å; D411-A414 PolarHBondContact O-N 3.39Å; V412-A414 VanDerWaalsContact C-N 3.31Å; V412-A414 PolarHBondContact O-N 2.76Å; A414-A417 PolarHBondContact O-N 2.62Å; A414-V418 PolarHBondContact O-N 3.14Å
415	M	93	Very high	92.9	Very high	92 Å²	92	63.5 Å²	63.5	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-44.4	175.1	-70.2	-170.7	-67.8	0	0	112	D411 V412 A417 V418 V419	D411-M415 WeakPolarHBondContact O-CG 3.49Å; D411-M415 PolarHBondContact O-N 2.74Å; V412-M415 HydrophobicContact CB-CE 4.25Å; V412-M415 HydrophobicContact CG2-CE 3.76Å; V412-M415 PolarHBondContact O-N 3.2Å; M415-A417 PolarHBondContact O-N 3.5Å; M415-V418 PolarHBondContact O-N 3.32Å; M415-V419 VanDerWaalsContact O-CG2 3.31Å; M415-V419 WeakPolarHBondContact O-CG2 3.42Å; M415-V419 PolarHBondContact O-N 2.88Å
416	K	93.7	Very high	92.7	Very high	67 Å²	67	68.5 Å²	68.5	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-52.3	-40.9	175.4	177.2	169.8	175	163	0	111.8	V412 V418 G420 E421 L424 L432	V412-K416 WeakPolarHBondContact O-CB 3.38Å; V412-K416 PolarHBondContact O-N 3.37Å; K416-V418 VanDerWaalsContact C-N 3.26Å; K416-V418 PolarHBondContact O-N 3.43Å; K416-G420 VanDerWaalsContact O-CA 3.3Å; K416-G420 WeakPolarHBondContact O-CA 3.49Å; K416-G420 PolarHBondContact O-N 3.24Å; K416-E421 WeakPolarHBondContact CE-OE2 3.32Å; K416-E421 IonicContact NZ-OE1 3.29Å; K416-E421 PolarHBondContact NZ-OE1 3.16Å; K416-E421 IonicContact NZ-OE2 2.64Å; K416-E421 PolarHBondContact NZ-OE2 3.3Å; K416-L424 HydrophobicContact CB-CD1 3.92Å; K416-L424 HydrophobicContact CD-CD1 4.16Å; K416-L424 HydrophobicContact CG-CD1 4.05Å; K416-L432 HydrophobicContact CB-CD1 4.43Å; K416-L432 HydrophobicContact CD-CD1 3.59Å
417	A	93.5	Very high	92.5	Very high	89 Å²	89	73.5 Å²	73.5	74%	0.736	43%	0.428	S	S	*	.	H	α-helix	trans	-68.3	-24.4	179.1	0	0	0	0	0	113.3	Q413 A414 M415	Q413-A417 PolarHBondContact O-N 2.67Å; A414-A417 PolarHBondContact O-N 2.62Å; M415-A417 PolarHBondContact O-N 3.5Å
418	V	94.3	Very high	92.4	Very high	126 Å²	126	74 Å²	74	76%	0.764	43%	0.426	S	S	*	.	H	α-helix	trans	-92.3	-48.9	-178.9	178.4	0	0	0	0	112.3	A414 M415 K416	A414-V418 PolarHBondContact O-N 3.14Å; M415-V418 PolarHBondContact O-N 3.32Å; K416-V418 VanDerWaalsContact C-N 3.26Å; K416-V418 PolarHBondContact O-N 3.43Å
419	V	92.3	Very high	92.2	Very high	91 Å²	91	74.4 Å²	74.4	55%	0.552	43%	0.429	S	S	*	.	H	α-helix	trans	-97.6	-16.2	-173.2	-62.3	0	0	0	0	114.2	M415 A423	M415-V419 VanDerWaalsContact O-CG2 3.31Å; M415-V419 WeakPolarHBondContact O-CG2 3.42Å; M415-V419 PolarHBondContact O-N 2.88Å; V419-A423 HydrophobicContact CB-CB 4.02Å; V419-A423 HydrophobicContact CG2-CB 3.86Å
420	G	89.6	Confident	92.2	Very high	31 Å²	31	76.5 Å²	76.5	32%	0.32	44%	0.44	S	S	.	.			trans	89.3	172	-172.4	0	0	0	0	0	113.4	K416	K416-G420 VanDerWaalsContact O-CA 3.3Å; K416-G420 WeakPolarHBondContact O-CA 3.49Å; K416-G420 PolarHBondContact O-N 3.24Å
421	E	87.7	Confident	92.3	Very high	110 Å²	110	75.5 Å²	75.5	51%	0.514	44%	0.435	S	S	.	.	S	Bend	trans	-77.4	-34	-172.5	-173	157.6	-162.9	0	0	113.5	K416 A423 L424 L429	K416-E421 WeakPolarHBondContact CE-OE2 3.32Å; K416-E421 IonicContact NZ-OE1 3.29Å; K416-E421 PolarHBondContact NZ-OE1 3.16Å; K416-E421 IonicContact NZ-OE2 2.64Å; K416-E421 PolarHBondContact NZ-OE2 3.3Å; E421-A423 PolarHBondContact O-N 3.42Å; E421-L424 WeakPolarHBondContact O-CB 3.42Å; E421-L424 PolarHBondContact O-N 3.44Å; E421-L429 HydrophobicContact CG-CD2 4.37Å
422	E	88.3	Confident	92.2	Very high	203 Å²	203	71.2 Å²	71.2	95%	0.949	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.8	-177	-60.4	-176.4	172.2	0	0	113.6	L424	E422-L424 VanDerWaalsContact C-N 3.35Å
423	A	90.2	Very high	92.2	Very high	71 Å²	71	75.1 Å²	75.1	59%	0.587	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.9	-179.2	0	0	0	0	0	113.6	V419 E421	V419-A423 HydrophobicContact CB-CB 4.02Å; V419-A423 HydrophobicContact CG2-CB 3.86Å; E421-A423 PolarHBondContact O-N 3.42Å
424	L	90	Very high	92.3	Very high	20 Å²	20	71.4 Å²	71.4	11%	0.105	41%	0.413	C	S	.	.	S	Bend	trans	-81.5	144.9	-176	-66.2	171.3	0	0	0	111.4	V412 K416 E421 E422 D428 L429 L432	V412-L424 HydrophobicContact CG1-CD2 4.14Å; K416-L424 HydrophobicContact CB-CD1 3.92Å; K416-L424 HydrophobicContact CD-CD1 4.16Å; K416-L424 HydrophobicContact CG-CD1 4.05Å; E421-L424 WeakPolarHBondContact O-CB 3.42Å; E421-L424 PolarHBondContact O-N 3.44Å; E422-L424 VanDerWaalsContact C-N 3.35Å; L424-D428 HydrophobicContact CB-CB 3.96Å; L424-D428 HydrophobicContact CD2-CB 4.1Å; L424-L429 HydrophobicContact CB-CD2 4.29Å; L424-L429 HydrophobicContact CB-CG 4.47Å; L424-L429 HydrophobicContact CD1-CD2 4.22Å; L424-L432 HydrophobicContact CD1-CD1 3.58Å
425	S	91.7	Very high	92.3	Very high	46 Å²	46	68.7 Å²	68.7	32%	0.322	39%	0.39	S	S	.	.			trans	-70.5	160.1	173.8	72.9	0	0	0	0	111.2	E427 D428 L429	S425-E427 PolarHBondContact O-N 3.17Å; S425-D428 VanDerWaalsContact CB-OD2 3.32Å; S425-D428 WeakPolarHBondContact CB-OD2 3.36Å; S425-D428 PolarHBondContact N-OD2 3.43Å; S425-D428 WeakPolarHBondContact O-CB 3.4Å; S425-D428 PolarHBondContact O-N 2.62Å; S425-D428 VanDerWaalsContact O-N 3.07Å; S425-D428 PolarHBondContact OG-N 3.15Å; S425-D428 PolarHBondContact OG-OD2 2.83Å; S425-L429 PolarHBondContact O-N 2.78Å; S425-L429 VanDerWaalsContact O-N 3.12Å
426	P	91.2	Very high	92.3	Very high	107 Å²	107	67.1 Å²	67.1	70%	0.695	39%	0.386	S	S	*	.	H	α-helix	trans	-56.6	-31.6	173.1	-25.8	35	0	0	0	113.4	L430	P426-L430 PolarHBondContact O-N 3.26Å
427	E	91.5	Very high	92.4	Very high	105 Å²	105	67.6 Å²	67.6	49%	0.491	39%	0.388	S	S	.	.	H	α-helix	trans	-68.7	-41.8	175.2	-63.2	-175.4	-175.3	0	0	111.6	S425 L429 L430 Y431 L471	S425-E427 PolarHBondContact O-N 3.17Å; E427-L429 VanDerWaalsContact C-N 3.3Å; E427-L429 PolarHBondContact O-N 2.97Å; E427-L430 WeakPolarHBondContact O-CB 3.26Å; E427-L430 PolarHBondContact O-N 3.24Å; E427-L430 VanDerWaalsContact O-N 3.13Å; E427-Y431 WeakPolarHBondContact O-CD2 3.26Å; E427-Y431 PolarHBondContact O-N 3.18Å; E427-Y431 VanDerWaalsContact O-N 3.11Å; E427-L471 HydrophobicContact CG-CD1 4.33Å
428	D	93.3	Very high	92.5	Very high	37 Å²	37	63.3 Å²	63.3	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-39.4	177.2	-65.5	-38.5	0	0	0	111.7	V412 L424 S425 L430 Y431 L432	V412-D428 HydrophobicContact CG1-CB 3.65Å; V412-D428 HydrophobicContact CG2-CB 4.35Å; V412-D428 WeakPolarHBondContact CG2-OD1 2.85Å; L424-D428 HydrophobicContact CB-CB 3.96Å; L424-D428 HydrophobicContact CD2-CB 4.1Å; S425-D428 VanDerWaalsContact CB-OD2 3.32Å; S425-D428 WeakPolarHBondContact CB-OD2 3.36Å; S425-D428 PolarHBondContact N-OD2 3.43Å; S425-D428 WeakPolarHBondContact O-CB 3.4Å; S425-D428 PolarHBondContact O-N 2.62Å; S425-D428 VanDerWaalsContact O-N 3.07Å; S425-D428 PolarHBondContact OG-N 3.15Å; S425-D428 PolarHBondContact OG-OD2 2.83Å; D428-L430 VanDerWaalsContact C-N 3.3Å; D428-L430 PolarHBondContact O-N 2.83Å; D428-Y431 PolarHBondContact O-N 3.39Å; D428-L432 WeakPolarHBondContact O-CG 3.46Å; D428-L432 PolarHBondContact O-N 3Å
429	L	92.5	Very high	92.5	Very high	76 Å²	76	57.4 Å²	57.4	40%	0.398	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-38.8	175.3	-67.1	176.2	0	0	0	111.9	E421 L424 S425 E427 L432 E433	E421-L429 HydrophobicContact CG-CD2 4.37Å; L424-L429 HydrophobicContact CB-CD2 4.29Å; L424-L429 HydrophobicContact CB-CG 4.47Å; L424-L429 HydrophobicContact CD1-CD2 4.22Å; S425-L429 PolarHBondContact O-N 2.78Å; S425-L429 VanDerWaalsContact O-N 3.12Å; E427-L429 VanDerWaalsContact C-N 3.3Å; E427-L429 PolarHBondContact O-N 2.97Å; L429-L432 PolarHBondContact O-N 2.86Å; L429-E433 PolarHBondContact O-N 2.79Å
430	L	93.8	Very high	92.6	Very high	44 Å²	44	59.4 Å²	59.4	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-39.6	174.6	-66.7	172.6	0	0	0	111.9	P426 E427 D428 L432 E433 F434 I466 F467	P426-L430 PolarHBondContact O-N 3.26Å; E427-L430 WeakPolarHBondContact O-CB 3.26Å; E427-L430 PolarHBondContact O-N 3.24Å; E427-L430 VanDerWaalsContact O-N 3.13Å; D428-L430 VanDerWaalsContact C-N 3.3Å; D428-L430 PolarHBondContact O-N 2.83Å; L430-L432 VanDerWaalsContact C-N 3.33Å; L430-L432 PolarHBondContact O-N 3.25Å; L430-E433 PolarHBondContact O-N 2.68Å; L430-F434 WeakPolarHBondContact O-CB 3.42Å; L430-F434 PolarHBondContact O-N 3.23Å; L430-I466 HydrophobicContact CD2-CG2 4.27Å; L430-F467 HydrophobicContact CB-CD1 4.06Å; L430-F467 HydrophobicContact CB-CE1 3.84Å
431	Y	94.7	Very high	92.8	Very high	21 Å²	21	62 Å²	62	8%	0.082	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-35.8	175.5	-77	-69.6	0	0	0	112.8	C405 I408 E427 D428 L435 F467	C405-Y431 HydrophobicContact CB-CD1 4.36Å; C405-Y431 HydrophobicContact CB-CE1 4.1Å; I408-Y431 HydrophobicContact CB-CD1 4.17Å; I408-Y431 HydrophobicContact CB-CE1 4.1Å; I408-Y431 HydrophobicContact CD1-CE1 4.25Å; I408-Y431 HydrophobicContact CG2-CD1 3.96Å; I408-Y431 HydrophobicContact CG2-CD2 3.84Å; I408-Y431 HydrophobicContact CG2-CE1 3.98Å; I408-Y431 HydrophobicContact CG2-CE2 3.86Å; I408-Y431 HydrophobicContact CG2-CG 3.91Å; E427-Y431 WeakPolarHBondContact O-CD2 3.26Å; E427-Y431 PolarHBondContact O-N 3.18Å; E427-Y431 VanDerWaalsContact O-N 3.11Å; D428-Y431 PolarHBondContact O-N 3.39Å; Y431-L435 WeakPolarHBondContact O-CB 3.38Å; Y431-L435 PolarHBondContact O-N 3.38Å; Y431-F467 AromaticContact CD1-CE1 3.62Å; Y431-F467 HydrophobicContact CD1-CE1 3.62Å; Y431-F467 AromaticContact CD1-CZ 3.48Å; Y431-F467 HydrophobicContact CD1-CZ 3.48Å; Y431-F467 VanDerWaalsContact CD1-CZ 3.48Å; Y431-F467 HydrophobicContact CD2-CE1 4.3Å; Y431-F467 AromaticContact CE1-CE1 3.7Å; Y431-F467 HydrophobicContact CE1-CE1 3.7Å; Y431-F467 AromaticContact CE1-CZ 3.71Å; Y431-F467 HydrophobicContact CE1-CZ 3.71Å; Y431-F467 HydrophobicContact CE2-CE1 4.37Å; Y431-F467 AromaticContact CG-CE1 3.92Å; Y431-F467 HydrophobicContact CG-CE1 3.92Å; Y431-F467 HydrophobicContact CG-CZ 4.12Å
432	L	93.2	Very high	93.1	Very high	21 Å²	21	56.8 Å²	56.8	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-69.2	-39.6	174.4	-69.5	176.7	0	0	0	112.8	V412 Q413 K416 L424 D428 L429 L430 L435 T436	V412-L432 HydrophobicContact CB-CD2 4.5Å; V412-L432 HydrophobicContact CG1-CD1 4.17Å; V412-L432 HydrophobicContact CG1-CD2 3.95Å; V412-L432 HydrophobicContact CG1-CG 3.78Å; Q413-L432 HydrophobicContact CB-CD2 3.94Å; K416-L432 HydrophobicContact CB-CD1 4.43Å; K416-L432 HydrophobicContact CD-CD1 3.59Å; L424-L432 HydrophobicContact CD1-CD1 3.58Å; D428-L432 WeakPolarHBondContact O-CG 3.46Å; D428-L432 PolarHBondContact O-N 3Å; L429-L432 PolarHBondContact O-N 2.86Å; L430-L432 VanDerWaalsContact C-N 3.33Å; L430-L432 PolarHBondContact O-N 3.25Å; L432-L435 PolarHBondContact O-N 3.16Å; L432-T436 PolarHBondContact O-N 3.17Å; L432-T436 VanDerWaalsContact O-N 3.17Å; L432-T436 PolarHBondContact O-OG1 2.97Å; L432-T436 VanDerWaalsContact O-OG1 3.11Å
433	E	94.1	Very high	93.3	Very high	83 Å²	83	47.1 Å²	47.1	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-46.8	173.4	-172	-175.4	161.4	0	0	110.6	L429 L430 L435 T436 K437	L429-E433 PolarHBondContact O-N 2.79Å; L430-E433 PolarHBondContact O-N 2.68Å; E433-L435 VanDerWaalsContact C-N 3.35Å; E433-L435 PolarHBondContact O-N 3.32Å; E433-T436 PolarHBondContact O-N 3Å; E433-K437 HydrophobicContact CG-CD 4.23Å; E433-K437 PolarHBondContact O-N 3.41Å; E433-K437 WeakPolarHBondContact OE1-CE 2.97Å; E433-K437 IonicContact OE1-NZ 3.9Å; E433-K437 PolarHBondContact OE1-NZ 3.01Å
434	F	95.8	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-47.2	174.4	170.1	-96.2	0	0	0	111.4	L402 C405 L430 T436 K437 F438 L463 F467	L402-F434 HydrophobicContact CD2-CE2 3.72Å; L402-F434 HydrophobicContact CD2-CZ 3.71Å; C405-F434 HydrophobicContact CB-CD1 3.85Å; C405-F434 HydrophobicContact CB-CE1 3.44Å; C405-F434 VanDerWaalsContact CB-CE1 3.44Å; C405-F434 HydrophobicContact CB-CE2 4.36Å; C405-F434 HydrophobicContact CB-CG 4.48Å; C405-F434 HydrophobicContact CB-CZ 3.72Å; L430-F434 WeakPolarHBondContact O-CB 3.42Å; L430-F434 PolarHBondContact O-N 3.23Å; F434-T436 VanDerWaalsContact C-N 3.3Å; F434-T436 PolarHBondContact O-N 3.11Å; F434-K437 PolarHBondContact O-N 3.17Å; F434-F438 HydrophobicContact CE1-CB 4.2Å; F434-F438 HydrophobicContact CE1-CD2 4.38Å; F434-F438 HydrophobicContact CE1-CG 4.32Å; F434-F438 HydrophobicContact CE2-CB 4.44Å; F434-F438 HydrophobicContact CE2-CD2 4.24Å; F434-F438 HydrophobicContact CZ-CB 4.14Å; F434-F438 AromaticContact CZ-CD2 3.73Å; F434-F438 HydrophobicContact CZ-CD2 3.73Å; F434-F438 HydrophobicContact CZ-CE2 4.43Å; F434-F438 HydrophobicContact CZ-CG 4.1Å; F434-F438 WeakPolarHBondContact O-CB 3.29Å; F434-F438 PolarHBondContact O-N 3.25Å; F434-L463 HydrophobicContact CD2-CB 4.22Å; F434-L463 HydrophobicContact CE2-CB 3.91Å; F434-F467 HydrophobicContact CB-CE2 3.62Å; F434-F467 HydrophobicContact CB-CZ 3.44Å; F434-F467 VanDerWaalsContact CB-CZ 3.44Å; F434-F467 HydrophobicContact CD1-CE2 4.27Å; F434-F467 HydrophobicContact CD1-CZ 4.3Å; F434-F467 HydrophobicContact CD2-CD2 4.46Å; F434-F467 AromaticContact CD2-CE2 3.51Å; F434-F467 HydrophobicContact CD2-CE2 3.51Å; F434-F467 HydrophobicContact CD2-CZ 4.2Å; F434-F467 HydrophobicContact CE2-CE2 4.23Å; F434-F467 AromaticContact CG-CE2 3.52Å; F434-F467 HydrophobicContact CG-CE2 3.52Å; F434-F467 AromaticContact CG-CZ 3.73Å; F434-F467 HydrophobicContact CG-CZ 3.73Å
435	L	94.5	Very high	93.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-46.2	-179.7	-174.2	71.7	0	0	0	111.6	Y406 K410 Q413 Y431 L432 E433 E439	Y406-L435 HydrophobicContact CD2-CD1 3.46Å; Y406-L435 VanDerWaalsContact CD2-CD1 3.46Å; Y406-L435 HydrophobicContact CE2-CD1 3.32Å; Y406-L435 HydrophobicContact CG-CD1 4.38Å; K410-L435 HydrophobicContact CD-CD1 4.05Å; K410-L435 HydrophobicContact CD-CD2 4.26Å; K410-L435 HydrophobicContact CG-CD1 4.16Å; Q413-L435 HydrophobicContact CB-CD2 3.99Å; Q413-L435 HydrophobicContact CG-CD2 4.31Å; Q413-L435 VanDerWaalsContact OE1-CD2 3.29Å; Y431-L435 WeakPolarHBondContact O-CB 3.38Å; Y431-L435 PolarHBondContact O-N 3.38Å; L432-L435 PolarHBondContact O-N 3.16Å; E433-L435 VanDerWaalsContact C-N 3.35Å; E433-L435 PolarHBondContact O-N 3.32Å; L435-E439 WeakPolarHBondContact O-CG 3.35Å; L435-E439 PolarHBondContact O-N 2.81Å; L435-E439 VanDerWaalsContact O-N 3.09Å
436	T	93.5	Very high	93.4	Very high	60 Å²	60	44.3 Å²	44.3	37%	0.368	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-42.9	179.8	-56.1	0	0	0	0	111.7	L432 E433 F434 K440	L432-T436 PolarHBondContact O-N 3.17Å; L432-T436 VanDerWaalsContact O-N 3.17Å; L432-T436 PolarHBondContact O-OG1 2.97Å; L432-T436 VanDerWaalsContact O-OG1 3.11Å; E433-T436 PolarHBondContact O-N 3Å; F434-T436 VanDerWaalsContact C-N 3.3Å; F434-T436 PolarHBondContact O-N 3.11Å; T436-K440 HydrophobicContact CG2-CD 4.2Å; T436-K440 WeakPolarHBondContact O-CB 3.46Å; T436-K440 WeakPolarHBondContact O-CG 3.18Å; T436-K440 PolarHBondContact O-N 3.3Å; T436-K440 VanDerWaalsContact O-N 3.14Å
437	K	94.9	Very high	93.2	Very high	76 Å²	76	40.6 Å²	40.6	33%	0.33	22%	0.215	S	C	.	.	H	α-helix	trans	-71.6	-36.1	178.8	-76.1	179	167.9	171.6	0	112.4	E433 F434 K440 N441 L463 I466	E433-K437 HydrophobicContact CG-CD 4.23Å; E433-K437 PolarHBondContact O-N 3.41Å; E433-K437 WeakPolarHBondContact OE1-CE 2.97Å; E433-K437 IonicContact OE1-NZ 3.9Å; E433-K437 PolarHBondContact OE1-NZ 3.01Å; F434-K437 PolarHBondContact O-N 3.17Å; K437-K440 PolarHBondContact O-N 2.82Å; K437-N441 VanDerWaalsContact O-CB 3.25Å; K437-N441 WeakPolarHBondContact O-CB 3.33Å; K437-N441 PolarHBondContact O-N 3.47Å; K437-L463 HydrophobicContact CB-CD2 3.61Å; K437-I466 HydrophobicContact CB-CD1 4.4Å; K437-I466 HydrophobicContact CD-CD1 3.46Å; K437-I466 VanDerWaalsContact CD-CD1 3.46Å; K437-I466 HydrophobicContact CD-CG1 4.49Å
438	F	95.7	Very high	93.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-62.9	-48.4	176.4	-176	-97.9	0	0	0	111	M159 V374 L402 Y406 F434 K440 F442 I443 L463	M159-F438 HydrophobicContact SD-CZ 4.44Å; V374-F438 HydrophobicContact CG2-CE1 4.03Å; V374-F438 HydrophobicContact CG2-CZ 4.33Å; L402-F438 HydrophobicContact CB-CE2 4.22Å; L402-F438 HydrophobicContact CD1-CE2 4.34Å; L402-F438 HydrophobicContact CD2-CD2 4.19Å; L402-F438 HydrophobicContact CD2-CE2 4.07Å; L402-F438 HydrophobicContact CG-CE2 4.45Å; Y406-F438 AromaticContact CD2-CD1 3.36Å; Y406-F438 HydrophobicContact CD2-CD1 3.36Å; Y406-F438 AromaticContact CD2-CE1 3.64Å; Y406-F438 HydrophobicContact CD2-CE1 3.64Å; Y406-F438 HydrophobicContact CD2-CG 4.2Å; Y406-F438 AromaticContact CE2-CD1 3.61Å; Y406-F438 HydrophobicContact CE2-CD1 3.61Å; Y406-F438 AromaticContact CE2-CE1 3.94Å; Y406-F438 HydrophobicContact CE2-CE1 3.94Å; Y406-F438 HydrophobicContact CG-CD1 4.25Å; Y406-F438 HydrophobicContact CG-CE1 4.12Å; F434-F438 HydrophobicContact CE1-CB 4.2Å; F434-F438 HydrophobicContact CE1-CD2 4.38Å; F434-F438 HydrophobicContact CE1-CG 4.32Å; F434-F438 HydrophobicContact CE2-CB 4.44Å; F434-F438 HydrophobicContact CE2-CD2 4.24Å; F434-F438 HydrophobicContact CZ-CB 4.14Å; F434-F438 AromaticContact CZ-CD2 3.73Å; F434-F438 HydrophobicContact CZ-CD2 3.73Å; F434-F438 HydrophobicContact CZ-CE2 4.43Å; F434-F438 HydrophobicContact CZ-CG 4.1Å; F434-F438 WeakPolarHBondContact O-CB 3.29Å; F434-F438 PolarHBondContact O-N 3.25Å; F438-K440 PolarHBondContact O-N 3.07Å; F438-F442 HydrophobicContact CD2-CB 3.95Å; F438-F442 AromaticContact CD2-CD1 3.98Å; F438-F442 HydrophobicContact CD2-CD1 3.98Å; F438-F442 HydrophobicContact CD2-CG 4.05Å; F438-F442 HydrophobicContact CE1-CD1 4.31Å; F438-F442 HydrophobicContact CE2-CB 4.16Å; F438-F442 AromaticContact CE2-CD1 3.3Å; F438-F442 HydrophobicContact CE2-CD1 3.3Å; F438-F442 AromaticContact CE2-CE1 3.68Å; F438-F442 HydrophobicContact CE2-CE1 3.68Å; F438-F442 AromaticContact CE2-CG 3.76Å; F438-F442 HydrophobicContact CE2-CG 3.76Å; F438-F442 HydrophobicContact CE2-CZ 4.39Å; F438-F442 HydrophobicContact CG-CB 4.43Å; F438-F442 AromaticContact CZ-CD1 3.51Å; F438-F442 HydrophobicContact CZ-CD1 3.51Å; F438-F442 AromaticContact CZ-CE1 3.76Å; F438-F442 HydrophobicContact CZ-CE1 3.76Å; F438-F442 HydrophobicContact CZ-CG 4.38Å; F438-F442 WeakPolarHBondContact O-CA 3.45Å; F438-F442 VanDerWaalsContact O-CB 3.31Å; F438-F442 WeakPolarHBondContact O-CB 3.48Å; F438-F442 PolarHBondContact O-N 3.48Å; F438-I443 HydrophobicContact CD1-CD1 3.85Å; F438-I443 HydrophobicContact CD1-CG1 3.96Å; F438-I443 HydrophobicContact CE1-CD1 3.66Å; F438-I443 HydrophobicContact CE1-CG1 3.72Å; F438-I443 HydrophobicContact CZ-CG1 4.4Å; F438-I443 PolarHBondContact O-N 3.2Å; F438-L463 HydrophobicContact CB-CD1 4.17Å; F438-L463 HydrophobicContact CD2-CD1 3.75Å; F438-L463 HydrophobicContact CG-CD1 4.4Å
439	E	94.8	Very high	93.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.229	C	C	.	.	I	π-helix	trans	-63.8	-39	176.9	-73	173.9	165.3	0	0	112.5	L363 R366 I368 Y406 K410 L435 I443 S444	L363-E439 HydrophobicContact CD2-CG 4.25Å; R366-E439 IonicContact CZ-OE2 3.68Å; R366-E439 VanDerWaalsContact NH1-CD 3.31Å; R366-E439 IonicContact NH1-OE1 3.63Å; R366-E439 PolarHBondContact NH1-OE1 2.88Å; R366-E439 IonicContact NH1-OE2 2.72Å; R366-E439 PolarHBondContact NH1-OE2 2.85Å; R366-E439 IonicContact NH2-OE2 3.56Å; R366-E439 PolarHBondContact NH2-OE2 3.48Å; I368-E439 HydrophobicContact CD1-CB 3.9Å; I368-E439 HydrophobicContact CD1-CG 4.43Å; Y406-E439 HydrophobicContact CE2-CG 4.19Å; K410-E439 IonicContact NZ-OE1 3.05Å; K410-E439 PolarHBondContact NZ-OE1 2.9Å; L435-E439 WeakPolarHBondContact O-CG 3.35Å; L435-E439 PolarHBondContact O-N 2.81Å; L435-E439 VanDerWaalsContact O-N 3.09Å; E439-I443 HydrophobicContact CG-CD1 4.27Å; E439-S444 WeakPolarHBondContact O-CB 3.49Å; E439-S444 PolarHBondContact O-N 2.93Å; E439-S444 VanDerWaalsContact O-N 3.09Å
440	K	93.8	Very high	93	Very high	134 Å²	134	45.4 Å²	45.4	58%	0.583	23%	0.232	S	C	*	.	I	π-helix	trans	-83.8	-31.2	-176.6	-74.2	-175.6	178.7	-176.7	0	115.9	T436 K437 F438 S444	T436-K440 HydrophobicContact CG2-CD 4.2Å; T436-K440 WeakPolarHBondContact O-CB 3.46Å; T436-K440 WeakPolarHBondContact O-CG 3.18Å; T436-K440 PolarHBondContact O-N 3.3Å; T436-K440 VanDerWaalsContact O-N 3.14Å; K437-K440 PolarHBondContact O-N 2.82Å; F438-K440 PolarHBondContact O-N 3.07Å; K440-S444 WeakPolarHBondContact O-CB 2.89Å
441	N	93.4	Very high	92.9	Very high	85 Å²	85	45 Å²	45	46%	0.455	23%	0.227	S	C	.	.	I	π-helix	trans	-109.4	-39	-173	-61	-7.3	0	0	0	111.7	K437 R451	K437-N441 VanDerWaalsContact O-CB 3.25Å; K437-N441 WeakPolarHBondContact O-CB 3.33Å; K437-N441 PolarHBondContact O-N 3.47Å; N441-R451 PolarHBondContact O-NH1 3.43Å
442	F	94	Very high	92.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-90.5	-55.6	-175.4	-175.1	-91.1	0	0	0	111.7	S154 V158 M159 L402 F438 R451 S456 V459 L463	S154-F442 PolarHBondContact OG-O 3.18Å; V158-F442 HydrophobicContact CB-CE2 4.4Å; V158-F442 HydrophobicContact CB-CZ 3.76Å; V158-F442 HydrophobicContact CG1-CE2 4.33Å; V158-F442 HydrophobicContact CG1-CZ 3.81Å; V158-F442 HydrophobicContact CG2-CE2 4.49Å; V158-F442 HydrophobicContact CG2-CZ 4.28Å; M159-F442 HydrophobicContact CG-CE1 3.85Å; M159-F442 HydrophobicContact CG-CZ 4.24Å; M159-F442 HydrophobicContact SD-CE1 4.26Å; M159-F442 HydrophobicContact SD-CZ 4.36Å; L402-F442 HydrophobicContact CD1-CE2 4.13Å; L402-F442 HydrophobicContact CD1-CZ 4.07Å; F438-F442 HydrophobicContact CD2-CB 3.95Å; F438-F442 AromaticContact CD2-CD1 3.98Å; F438-F442 HydrophobicContact CD2-CD1 3.98Å; F438-F442 HydrophobicContact CD2-CG 4.05Å; F438-F442 HydrophobicContact CE1-CD1 4.31Å; F438-F442 HydrophobicContact CE2-CB 4.16Å; F438-F442 AromaticContact CE2-CD1 3.3Å; F438-F442 HydrophobicContact CE2-CD1 3.3Å; F438-F442 AromaticContact CE2-CE1 3.68Å; F438-F442 HydrophobicContact CE2-CE1 3.68Å; F438-F442 AromaticContact CE2-CG 3.76Å; F438-F442 HydrophobicContact CE2-CG 3.76Å; F438-F442 HydrophobicContact CE2-CZ 4.39Å; F438-F442 HydrophobicContact CG-CB 4.43Å; F438-F442 AromaticContact CZ-CD1 3.51Å; F438-F442 HydrophobicContact CZ-CD1 3.51Å; F438-F442 AromaticContact CZ-CE1 3.76Å; F438-F442 HydrophobicContact CZ-CE1 3.76Å; F438-F442 HydrophobicContact CZ-CG 4.38Å; F438-F442 WeakPolarHBondContact O-CA 3.45Å; F438-F442 VanDerWaalsContact O-CB 3.31Å; F438-F442 WeakPolarHBondContact O-CB 3.48Å; F438-F442 PolarHBondContact O-N 3.48Å; F442-R451 PolarHBondContact O-NH1 3.23Å; F442-S456 WeakPolarHBondContact CE2-O 3.44Å; F442-V459 HydrophobicContact CB-CG1 4.45Å; F442-V459 HydrophobicContact CD2-CB 4.49Å; F442-V459 HydrophobicContact CD2-CG1 4.15Å; F442-L463 HydrophobicContact CB-CD1 3.56Å; F442-L463 HydrophobicContact CD2-CD1 4.41Å; F442-L463 HydrophobicContact CG-CD1 4.27Å
443	I	93.3	Very high	92.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-70.1	-46.8	177.2	-57.1	-179.9	0	0	0	110.1	I368 P370 F438 E439 Q445	I368-I443 HydrophobicContact CG2-CB 4.4Å; I368-I443 HydrophobicContact CG2-CG2 3.91Å; P370-I443 WeakPolarHBondContact CD-O 3.23Å; P370-I443 VanDerWaalsContact O-CG2 3.23Å; P370-I443 WeakPolarHBondContact O-CG2 3.14Å; F438-I443 HydrophobicContact CD1-CD1 3.85Å; F438-I443 HydrophobicContact CD1-CG1 3.96Å; F438-I443 HydrophobicContact CE1-CD1 3.66Å; F438-I443 HydrophobicContact CE1-CG1 3.72Å; F438-I443 HydrophobicContact CZ-CG1 4.4Å; F438-I443 PolarHBondContact O-N 3.2Å; E439-I443 HydrophobicContact CG-CD1 4.27Å; I443-Q445 PolarHBondContact O-N 3.24Å
444	S	93.1	Very high	92.5	Very high	37 Å²	37	43.2 Å²	43.2	26%	0.259	22%	0.221	S	C	.	.			trans	-68.1	124.1	-178.8	-155.3	0	0	0	0	111.4	Y369 E439 K440 R451	Y369-S444 CarbonylContact O-C 3.58Å; Y369-S444 VanDerWaalsContact O-CA 3.22Å; Y369-S444 WeakPolarHBondContact O-CA 3.35Å; E439-S444 WeakPolarHBondContact O-CB 3.49Å; E439-S444 PolarHBondContact O-N 2.93Å; E439-S444 VanDerWaalsContact O-N 3.09Å; K440-S444 WeakPolarHBondContact O-CB 2.89Å; S444-R451 PolarHBondContact O-NH2 3.05Å
445	Q	90.7	Very high	92.4	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.037	24%	0.244	C	C	.	.			trans	-146.8	153.9	-178.5	-175.2	168.7	-6.6	0	0	108.7	G152 S154 Y369 I443 E449	G152-Q445 PolarHBondContact O-NE2 3.31Å; G152-Q445 PolarHBondContact O-OE1 3.04Å; S154-Q445 PolarHBondContact OG-OE1 2.9Å; Y369-Q445 VanDerWaalsContact CD1-O 3.29Å; Y369-Q445 WeakPolarHBondContact CD1-O 3.26Å; Y369-Q445 PolarHBondContact O-N 3.4Å; I443-Q445 PolarHBondContact O-N 3.24Å; Q445-E449 HydrophobicContact CG-CB 3.81Å; Q445-E449 HydrophobicContact CG-CG 4.02Å; Q445-E449 WeakPolarHBondContact CG-OE2 3.33Å; Q445-E449 PolarHBondContact NE2-O 3.36Å
446	G	89.7	Confident	92.3	Very high	33 Å²	33	47.2 Å²	47.2	34%	0.34	24%	0.243	S	C	.	.			trans	-73.5	149.1	171.1	0	0	0	0	0	112.5	Y448 E449	G446-Y448 PolarHBondContact O-N 2.87Å; G446-Y448 VanDerWaalsContact O-N 3.1Å; G446-E449 PolarHBondContact N-OE2 3.33Å; G446-E449 WeakPolarHBondContact O-CB 3.47Å; G446-E449 PolarHBondContact O-N 3.19Å
447	A	87.6	Confident	92.3	Very high	29 Å²	29	44.4 Å²	44.4	24%	0.24	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.2	175.9	0	0	0	0	0	114.9	Q184 R187 Y369	Q184-A447 WeakPolarHBondContact CG-O 3.49Å; R187-A447 PolarHBondContact NH2-O 3.35Å; Y369-A447 VanDerWaalsContact CE1-CA 3.48Å; Y369-A447 HydrophobicContact CE1-CB 3.67Å
448	Y	89.8	Confident	92.3	Very high	154 Å²	154	43.5 Å²	43.5	60%	0.604	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.9	0.1	177.8	-63.9	-82.2	0	0	0	112.9	G446	G446-Y448 PolarHBondContact O-N 2.87Å; G446-Y448 VanDerWaalsContact O-N 3.1Å
449	E	91.6	Very high	92.2	Very high	78 Å²	78	44.9 Å²	44.9	36%	0.364	23%	0.233	S	C	.	.			trans	-78	125.2	175.6	-172.9	-177.3	168.8	0	0	108.1	Q184 Q188 Q445 G446 R451	Q184-E449 PolarHBondContact NE2-O 3.36Å; Q188-E449 VanDerWaalsContact NE2-C 3.35Å; Q188-E449 PolarHBondContact NE2-O 3.49Å; Q188-E449 PolarHBondContact OE1-O 3.28Å; Q445-E449 HydrophobicContact CG-CB 3.81Å; Q445-E449 HydrophobicContact CG-CG 4.02Å; Q445-E449 WeakPolarHBondContact CG-OE2 3.33Å; Q445-E449 PolarHBondContact NE2-O 3.36Å; G446-E449 PolarHBondContact N-OE2 3.33Å; G446-E449 WeakPolarHBondContact O-CB 3.47Å; G446-E449 PolarHBondContact O-N 3.19Å; E449-R451 HydrophobicContact CG-CG 4.31Å; E449-R451 IonicContact OE1-CZ 3.23Å; E449-R451 VanDerWaalsContact OE1-CZ 3.29Å; E449-R451 IonicContact OE1-NE 3.58Å; E449-R451 PolarHBondContact OE1-NE 3.02Å; E449-R451 IonicContact OE1-NH2 2.77Å; E449-R451 PolarHBondContact OE1-NH2 3.16Å; E449-R451 IonicContact OE2-NH2 3.39Å; E449-R451 PolarHBondContact OE2-NH2 3.49Å
450	N	90.2	Very high	92.2	Very high	87 Å²	87	44.9 Å²	44.9	47%	0.465	23%	0.233	S	C	.	.			trans	-111.6	100.8	176.3	-175.4	-9.1	0	0	0	108.2	G152 Q188	G152-N450 WeakPolarHBondContact CA-OD1 3.45Å; Q188-N450 HydrophobicContact CG-CB 4.12Å
451	R	91.8	Very high	92.2	Very high	35 Å²	35	38.5 Å²	38.5	13%	0.132	21%	0.205	C	C	.	.			trans	-85.8	135.4	176.7	-71.2	178.5	-175.6	170.6	8.8	109.2	Q150 G152 N441 F442 S444 E449	Q150-R451 PolarHBondContact NE2-O 3.41Å; G152-R451 PolarHBondContact O-N 2.91Å; N441-R451 PolarHBondContact O-NH1 3.43Å; F442-R451 PolarHBondContact O-NH1 3.23Å; S444-R451 PolarHBondContact O-NH2 3.05Å; E449-R451 HydrophobicContact CG-CG 4.31Å; E449-R451 IonicContact OE1-CZ 3.23Å; E449-R451 VanDerWaalsContact OE1-CZ 3.29Å; E449-R451 IonicContact OE1-NE 3.58Å; E449-R451 PolarHBondContact OE1-NE 3.02Å; E449-R451 IonicContact OE1-NH2 2.77Å; E449-R451 PolarHBondContact OE1-NH2 3.16Å; E449-R451 IonicContact OE2-NH2 3.39Å; E449-R451 PolarHBondContact OE2-NH2 3.49Å
452	S	91.6	Very high	92.2	Very high	27 Å²	27	40.1 Å²	40.1	19%	0.189	21%	0.21	C	C	.	.			trans	-69.3	159	167.4	76.4	0	0	0	0	110.7	F454 D455 S456	S452-F454 PolarHBondContact O-N 2.83Å; S452-F454 PolarHBondContact OG-N 3.46Å; S452-D455 VanDerWaalsContact CB-OD2 3.32Å; S452-D455 WeakPolarHBondContact CB-OD2 3.34Å; S452-D455 PolarHBondContact N-OD2 3.15Å; S452-D455 VanDerWaalsContact N-OD2 3.16Å; S452-D455 PolarHBondContact O-N 3.14Å; S452-D455 PolarHBondContact OG-N 2.83Å; S452-D455 VanDerWaalsContact OG-N 3.1Å; S452-D455 PolarHBondContact OG-OD2 2.85Å; S452-S456 WeakPolarHBondContact O-CB 3.46Å; S452-S456 PolarHBondContact O-N 3.45Å; S452-S456 PolarHBondContact O-OG 3.03Å
453	V	90.8	Very high	92.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-36.3	172.9	-175.5	0	0	0	0	110.2	M148 Q150 D157 V192 T391 S456 L457	M148-V453 HydrophobicContact CE-CG1 4.2Å; M148-V453 HydrophobicContact CE-CG2 3.63Å; M148-V453 HydrophobicContact SD-CG1 4.47Å; M148-V453 HydrophobicContact SD-CG2 4.27Å; Q150-V453 HydrophobicContact CB-CG2 4.17Å; Q150-V453 HydrophobicContact CG-CG2 3.84Å; D157-V453 HydrophobicContact CB-CG2 4.26Å; V192-V453 HydrophobicContact CG2-CG2 4.04Å; T391-V453 HydrophobicContact CG2-CG1 4.11Å; V453-S456 PolarHBondContact O-N 2.84Å; V453-L457 HydrophobicContact CG1-CD1 4.33Å; V453-L457 VanDerWaalsContact O-CG 3.3Å; V453-L457 WeakPolarHBondContact O-CG 3.4Å; V453-L457 PolarHBondContact O-N 2.74Å
454	F	92.3	Very high	92.2	Very high	61 Å²	61	40.4 Å²	40.4	27%	0.268	21%	0.211	S	C	.	.	H	α-helix	trans	-67	-45.8	179	-56.4	-68.1	0	0	0	112.2	V192 L194 T391 R392 S452 S456 L457 D458	V192-F454 HydrophobicContact CG1-CE2 4.47Å; L194-F454 HydrophobicContact CD2-CZ 4.1Å; T391-F454 WeakPolarHBondContact O-CE1 3.44Å; R392-F454 HydrophobicContact CB-CD1 4.48Å; R392-F454 HydrophobicContact CB-CE1 4.29Å; S452-F454 PolarHBondContact O-N 2.83Å; S452-F454 PolarHBondContact OG-N 3.46Å; F454-S456 VanDerWaalsContact C-N 3.29Å; F454-S456 PolarHBondContact O-N 2.85Å; F454-L457 PolarHBondContact O-N 2.98Å; F454-D458 PolarHBondContact O-N 3.26Å
455	D	92.6	Very high	92.2	Very high	87 Å²	87	41.8 Å²	41.8	47%	0.465	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-43.3	175.5	-55.3	-41.2	0	0	0	110.3	S452 L457 D458 V459	S452-D455 VanDerWaalsContact CB-OD2 3.32Å; S452-D455 WeakPolarHBondContact CB-OD2 3.34Å; S452-D455 PolarHBondContact N-OD2 3.15Å; S452-D455 VanDerWaalsContact N-OD2 3.16Å; S452-D455 PolarHBondContact O-N 3.14Å; S452-D455 PolarHBondContact OG-N 2.83Å; S452-D455 VanDerWaalsContact OG-N 3.1Å; S452-D455 PolarHBondContact OG-OD2 2.85Å; D455-L457 VanDerWaalsContact C-N 3.34Å; D455-L457 PolarHBondContact O-N 3.24Å; D455-D458 PolarHBondContact O-N 2.95Å; D455-V459 WeakPolarHBondContact O-CG2 3.47Å; D455-V459 PolarHBondContact O-N 2.89Å
456	S	93.4	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-38	179.1	-58	0	0	0	0	112.5	V158 F442 S452 V453 F454 G460	V158-S456 VanDerWaalsContact CG2-CB 3.41Å; F442-S456 WeakPolarHBondContact CE2-O 3.44Å; S452-S456 WeakPolarHBondContact O-CB 3.46Å; S452-S456 PolarHBondContact O-N 3.45Å; S452-S456 PolarHBondContact O-OG 3.03Å; V453-S456 PolarHBondContact O-N 2.84Å; F454-S456 VanDerWaalsContact C-N 3.29Å; F454-S456 PolarHBondContact O-N 2.85Å; S456-G460 PolarHBondContact O-N 3.03Å
457	L	94	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-39.5	173.5	-73.5	173.4	0	0	0	111.9	V158 R392 H395 V398 V453 F454 D455 G460 W461	V158-L457 HydrophobicContact CG1-CD2 3.95Å; V158-L457 HydrophobicContact CG2-CD2 4.15Å; V158-L457 HydrophobicContact CG2-CG 4.32Å; R392-L457 HydrophobicContact CB-CD1 3.86Å; H395-L457 HydrophobicContact CB-CD1 4.22Å; H395-L457 HydrophobicContact CB-CD2 4.19Å; V398-L457 HydrophobicContact CB-CD2 4.42Å; V398-L457 HydrophobicContact CG1-CD2 4.31Å; V453-L457 HydrophobicContact CG1-CD1 4.33Å; V453-L457 VanDerWaalsContact O-CG 3.3Å; V453-L457 WeakPolarHBondContact O-CG 3.4Å; V453-L457 PolarHBondContact O-N 2.74Å; F454-L457 PolarHBondContact O-N 2.98Å; D455-L457 VanDerWaalsContact C-N 3.34Å; D455-L457 PolarHBondContact O-N 3.24Å; L457-G460 CarbonylContact O-C 3.58Å; L457-G460 WeakPolarHBondContact O-CA 3.21Å; L457-G460 PolarHBondContact O-N 2.88Å; L457-G460 VanDerWaalsContact O-N 3.16Å; L457-W461 VanDerWaalsContact O-CD1 3.24Å; L457-W461 PolarHBondContact O-N 3.08Å
458	D	94.1	Very high	92.4	Very high	57 Å²	57	43.1 Å²	43.1	31%	0.305	21%	0.21	S	C	.	.	H	α-helix	trans	-67.6	-39.7	178.1	-71.6	-23.1	0	0	0	111.5	R392 F454 D455 G460 W461 E462	R392-D458 IonicContact CZ-OD1 3.63Å; R392-D458 IonicContact NH1-OD1 2.77Å; R392-D458 PolarHBondContact NH1-OD1 3.05Å; R392-D458 IonicContact NH1-OD2 3.96Å; R392-D458 IonicContact NH2-OD1 3.56Å; F454-D458 PolarHBondContact O-N 3.26Å; D455-D458 PolarHBondContact O-N 2.95Å; D458-G460 VanDerWaalsContact C-N 3.28Å; D458-G460 PolarHBondContact O-N 2.83Å; D458-W461 WeakPolarHBondContact O-CB 3.14Å; D458-W461 PolarHBondContact O-N 2.76Å; D458-W461 VanDerWaalsContact O-N 3.14Å; D458-E462 PolarHBondContact O-N 3.41Å
459	V	94	Very high	92.4	Very high	30 Å²	30	41 Å²	41	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-39.6	168.8	179.8	0	0	0	0	111.1	F442 D455 W461 E462 L463	F442-V459 HydrophobicContact CB-CG1 4.45Å; F442-V459 HydrophobicContact CD2-CB 4.49Å; F442-V459 HydrophobicContact CD2-CG1 4.15Å; D455-V459 WeakPolarHBondContact O-CG2 3.47Å; D455-V459 PolarHBondContact O-N 2.89Å; V459-W461 VanDerWaalsContact C-N 3.32Å; V459-W461 PolarHBondContact O-N 2.82Å; V459-E462 PolarHBondContact O-N 2.96Å; V459-L463 WeakPolarHBondContact O-CG 3.38Å; V459-L463 PolarHBondContact O-N 3.18Å; V459-L463 VanDerWaalsContact O-N 3.15Å
460	G	94	Very high	92.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-43.6	173.3	0	0	0	0	0	112.4	S456 L457 D458 L463 L464	S456-G460 PolarHBondContact O-N 3.03Å; L457-G460 CarbonylContact O-C 3.58Å; L457-G460 WeakPolarHBondContact O-CA 3.21Å; L457-G460 PolarHBondContact O-N 2.88Å; L457-G460 VanDerWaalsContact O-N 3.16Å; D458-G460 VanDerWaalsContact C-N 3.28Å; D458-G460 PolarHBondContact O-N 2.83Å; G460-L463 PolarHBondContact O-N 3.29Å; G460-L464 WeakPolarHBondContact O-CG 3.48Å; G460-L464 PolarHBondContact O-N 2.98Å; G460-L464 VanDerWaalsContact O-N 3.08Å
461	W	94.4	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-41.9	175.4	-82.8	107.3	0	0	0	113.3	D394 V398 L457 D458 V459 L463 L464 R465 I475 I479 Y483	D394-W461 HydrophobicContact CB-CZ2 4.23Å; D394-W461 PolarHBondContact OD2-NE1 3.44Å; V398-W461 HydrophobicContact CG2-CD2 4.23Å; V398-W461 VanDerWaalsContact CG2-CE2 3.41Å; V398-W461 HydrophobicContact CG2-CH2 4.41Å; V398-W461 HydrophobicContact CG2-CZ2 3.52Å; L457-W461 VanDerWaalsContact O-CD1 3.24Å; L457-W461 PolarHBondContact O-N 3.08Å; D458-W461 WeakPolarHBondContact O-CB 3.14Å; D458-W461 PolarHBondContact O-N 2.76Å; D458-W461 VanDerWaalsContact O-N 3.14Å; V459-W461 VanDerWaalsContact C-N 3.32Å; V459-W461 PolarHBondContact O-N 2.82Å; W461-L463 PolarHBondContact O-N 2.8Å; W461-L464 HydrophobicContact CE3-CD1 4.4Å; W461-L464 PolarHBondContact O-N 2.79Å; W461-L464 VanDerWaalsContact O-N 3.12Å; W461-R465 VanDerWaalsContact O-CG 3.3Å; W461-R465 WeakPolarHBondContact O-CG 3.39Å; W461-R465 PolarHBondContact O-N 2.85Å; W461-I475 HydrophobicContact CH2-CD1 3.96Å; W461-I475 HydrophobicContact CH2-CG2 4.06Å; W461-I475 HydrophobicContact CZ3-CD1 4.16Å; W461-I479 HydrophobicContact CH2-CG2 3.95Å; W461-I479 HydrophobicContact CZ2-CG2 3.68Å; W461-Y483 AromaticContact CE2-CG 3.96Å; W461-Y483 AromaticContact CZ2-CD2 3.87Å; W461-Y483 HydrophobicContact CZ2-CD2 3.87Å; W461-Y483 HydrophobicContact CZ2-CG 4.05Å; W461-Y483 AromaticContact NE1-CG 3.99Å
462	E	93.5	Very high	92.2	Very high	120 Å²	120	41 Å²	41	56%	0.561	20%	0.203	S	C	*	.	H	α-helix	trans	-56.6	-38.7	175.5	-71.9	-179.9	178.3	0	0	111.9	D458 V459	D458-E462 PolarHBondContact O-N 3.41Å; V459-E462 PolarHBondContact O-N 2.96Å
463	L	93.7	Very high	92.1	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-38	175.8	-66.9	179.7	0	0	0	113	F434 K437 F438 F442 V459 G460 W461 R465 I466	F434-L463 HydrophobicContact CD2-CB 4.22Å; F434-L463 HydrophobicContact CE2-CB 3.91Å; K437-L463 HydrophobicContact CB-CD2 3.61Å; F438-L463 HydrophobicContact CB-CD1 4.17Å; F438-L463 HydrophobicContact CD2-CD1 3.75Å; F438-L463 HydrophobicContact CG-CD1 4.4Å; F442-L463 HydrophobicContact CB-CD1 3.56Å; F442-L463 HydrophobicContact CD2-CD1 4.41Å; F442-L463 HydrophobicContact CG-CD1 4.27Å; V459-L463 WeakPolarHBondContact O-CG 3.38Å; V459-L463 PolarHBondContact O-N 3.18Å; V459-L463 VanDerWaalsContact O-N 3.15Å; G460-L463 PolarHBondContact O-N 3.29Å; W461-L463 PolarHBondContact O-N 2.8Å; L463-R465 VanDerWaalsContact C-N 3.26Å; L463-R465 PolarHBondContact O-N 2.65Å; L463-I466 HydrophobicContact CD2-CD1 4.23Å; L463-I466 WeakPolarHBondContact O-CB 3.43Å; L463-I466 WeakPolarHBondContact O-CD1 2.91Å; L463-I466 VanDerWaalsContact O-CG1 3.32Å; L463-I466 WeakPolarHBondContact O-CG1 3.28Å; L463-I466 PolarHBondContact O-N 2.71Å
464	L	93.5	Very high	92.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-25.9	177.6	-68.7	174.1	0	0	0	112.6	V398 Q401 L402 G460 W461 I466 F467 L472 I475	V398-L464 HydrophobicContact CG1-CD1 4.1Å; V398-L464 HydrophobicContact CG2-CD1 4.46Å; Q401-L464 HydrophobicContact CB-CD2 4.31Å; Q401-L464 HydrophobicContact CG-CD1 4.44Å; Q401-L464 HydrophobicContact CG-CD2 3.63Å; L402-L464 HydrophobicContact CD2-CD1 4.47Å; L402-L464 HydrophobicContact CD2-CD2 3.82Å; L402-L464 HydrophobicContact CD2-CG 3.9Å; L402-L464 HydrophobicContact CG-CD1 4.45Å; L402-L464 HydrophobicContact CG-CD2 4.31Å; L402-L464 HydrophobicContact CG-CG 4.39Å; G460-L464 WeakPolarHBondContact O-CG 3.48Å; G460-L464 PolarHBondContact O-N 2.98Å; G460-L464 VanDerWaalsContact O-N 3.08Å; W461-L464 HydrophobicContact CE3-CD1 4.4Å; W461-L464 PolarHBondContact O-N 2.79Å; W461-L464 VanDerWaalsContact O-N 3.12Å; L464-I466 PolarHBondContact O-N 2.85Å; L464-F467 PolarHBondContact O-N 2.82Å; L464-F467 VanDerWaalsContact O-N 3.14Å; L464-L472 HydrophobicContact CB-CD1 4.44Å; L464-L472 HydrophobicContact CB-CD2 4.41Å; L464-L472 HydrophobicContact CD2-CD2 3.97Å; L464-I475 HydrophobicContact CD1-CD1 3.88Å
465	R	92.7	Very high	92.2	Very high	66 Å²	66	52.6 Å²	52.6	25%	0.249	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.6	176.8	-72.5	172	-154.9	159.2	6.7	114.3	W461 L463 F467 Y483 Y484 R486	W461-R465 VanDerWaalsContact O-CG 3.3Å; W461-R465 WeakPolarHBondContact O-CG 3.39Å; W461-R465 PolarHBondContact O-N 2.85Å; L463-R465 VanDerWaalsContact C-N 3.26Å; L463-R465 PolarHBondContact O-N 2.65Å; R465-F467 PolarHBondContact O-N 2.9Å; R465-Y483 PolarHBondContact NH2-O 3.38Å; R465-Y484 HydrophobicContact CG-CD2 4.39Å; R465-Y484 HydrophobicContact CG-CE2 4.48Å; R465-R486 VanDerWaalsContact CD-OXT 3.31Å; R465-R486 WeakPolarHBondContact CD-OXT 3.48Å; R465-R486 PolarHBondContact NE-OXT 2.94Å; R465-R486 PolarHBondContact NH1-O 3.49Å; R465-R486 PolarHBondContact NH1-OXT 3.37Å; R465-R486 PolarHBondContact NH2-OXT 2.75Å
466	I	90.1	Very high	92.1	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.185	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.4	171.3	-57.9	165.6	0	0	0	110.2	L430 K437 L463 L464	L430-I466 HydrophobicContact CD2-CG2 4.27Å; K437-I466 HydrophobicContact CB-CD1 4.4Å; K437-I466 HydrophobicContact CD-CD1 3.46Å; K437-I466 VanDerWaalsContact CD-CD1 3.46Å; K437-I466 HydrophobicContact CD-CG1 4.49Å; L463-I466 HydrophobicContact CD2-CD1 4.23Å; L463-I466 WeakPolarHBondContact O-CB 3.43Å; L463-I466 WeakPolarHBondContact O-CD1 2.91Å; L463-I466 VanDerWaalsContact O-CG1 3.32Å; L463-I466 WeakPolarHBondContact O-CG1 3.28Å; L463-I466 PolarHBondContact O-N 2.71Å; L464-I466 PolarHBondContact O-N 2.85Å
467	F	91.4	Very high	92	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	27%	0.271	C	S	.	.	S	Bend	trans	-86.7	141.9	179.2	-63.2	-76.7	0	0	0	111.7	C405 L430 Y431 F434 L464 R465 L471 L472 Y484	C405-F467 HydrophobicContact CB-CE2 4.17Å; C405-F467 HydrophobicContact CB-CZ 4.39Å; L430-F467 HydrophobicContact CB-CD1 4.06Å; L430-F467 HydrophobicContact CB-CE1 3.84Å; Y431-F467 AromaticContact CD1-CE1 3.62Å; Y431-F467 HydrophobicContact CD1-CE1 3.62Å; Y431-F467 AromaticContact CD1-CZ 3.48Å; Y431-F467 HydrophobicContact CD1-CZ 3.48Å; Y431-F467 VanDerWaalsContact CD1-CZ 3.48Å; Y431-F467 HydrophobicContact CD2-CE1 4.3Å; Y431-F467 AromaticContact CE1-CE1 3.7Å; Y431-F467 HydrophobicContact CE1-CE1 3.7Å; Y431-F467 AromaticContact CE1-CZ 3.71Å; Y431-F467 HydrophobicContact CE1-CZ 3.71Å; Y431-F467 HydrophobicContact CE2-CE1 4.37Å; Y431-F467 AromaticContact CG-CE1 3.92Å; Y431-F467 HydrophobicContact CG-CE1 3.92Å; Y431-F467 HydrophobicContact CG-CZ 4.12Å; F434-F467 HydrophobicContact CB-CE2 3.62Å; F434-F467 HydrophobicContact CB-CZ 3.44Å; F434-F467 VanDerWaalsContact CB-CZ 3.44Å; F434-F467 HydrophobicContact CD1-CE2 4.27Å; F434-F467 HydrophobicContact CD1-CZ 4.3Å; F434-F467 HydrophobicContact CD2-CD2 4.46Å; F434-F467 AromaticContact CD2-CE2 3.51Å; F434-F467 HydrophobicContact CD2-CE2 3.51Å; F434-F467 HydrophobicContact CD2-CZ 4.2Å; F434-F467 HydrophobicContact CE2-CE2 4.23Å; F434-F467 AromaticContact CG-CE2 3.52Å; F434-F467 HydrophobicContact CG-CE2 3.52Å; F434-F467 AromaticContact CG-CZ 3.73Å; F434-F467 HydrophobicContact CG-CZ 3.73Å; L464-F467 PolarHBondContact O-N 2.82Å; L464-F467 VanDerWaalsContact O-N 3.14Å; R465-F467 PolarHBondContact O-N 2.9Å; F467-L471 HydrophobicContact CB-CB 4.35Å; F467-L471 HydrophobicContact CD1-CD1 3.98Å; F467-L472 HydrophobicContact CB-CD2 4.08Å; F467-L472 HydrophobicContact CB-CG 4.46Å; F467-L472 HydrophobicContact CD2-CD2 4.42Å; F467-Y484 PolarHBondContact O-OH 3.08Å
468	P	90.9	Very high	91.9	Very high	62 Å²	62	63 Å²	63	40%	0.403	30%	0.304	S	S	.	.			trans	-55.1	147.1	163.1	-24.2	32.9	0	0	0	111.7	E470 L471	P468-E470 PolarHBondContact O-N 3.37Å; P468-L471 PolarHBondContact O-N 2.85Å
469	K	89.5	Confident	91.7	Very high	109 Å²	109	61.1 Å²	61.1	47%	0.474	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-50.2	-33.8	179.8	-68.9	-177	178.4	-179.8	0	113.7	L471 L472 L480 Y484	K469-L471 VanDerWaalsContact C-N 3.29Å; K469-L471 PolarHBondContact O-N 3.04Å; K469-L472 PolarHBondContact O-N 2.86Å; K469-L480 HydrophobicContact CB-CD2 4.13Å; K469-L480 HydrophobicContact CD-CD2 4.29Å; K469-L480 HydrophobicContact CG-CD2 4.2Å; K469-Y484 HydrophobicContact CD-CD1 4.11Å; K469-Y484 HydrophobicContact CD-CE1 4.04Å; K469-Y484 HydrophobicContact CG-CD1 3.84Å; K469-Y484 HydrophobicContact CG-CD2 4.25Å; K469-Y484 HydrophobicContact CG-CE1 3.49Å; K469-Y484 VanDerWaalsContact CG-CE1 3.49Å; K469-Y484 HydrophobicContact CG-CE2 3.95Å; K469-Y484 HydrophobicContact CG-CG 4.19Å
470	E	88.4	Confident	91.5	Very high	175 Å²	175	60.9 Å²	60.9	82%	0.818	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.4	-25	-176.8	-61.5	174.8	-166.8	0	0	113.5	P468	P468-E470 PolarHBondContact O-N 3.37Å
471	L	89.5	Confident	91.3	Very high	18 Å²	18	67.7 Å²	67.7	9%	0.094	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-83.6	-15.9	179.2	-63.9	-176.4	0	0	0	112.9	E427 F467 P468 K469 K473	E427-L471 HydrophobicContact CG-CD1 4.33Å; F467-L471 HydrophobicContact CB-CB 4.35Å; F467-L471 HydrophobicContact CD1-CD1 3.98Å; P468-L471 PolarHBondContact O-N 2.85Å; K469-L471 VanDerWaalsContact C-N 3.29Å; K469-L471 PolarHBondContact O-N 3.04Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 2.79Å
472	L	91.2	Very high	91.2	Very high	7 Å²	7	72.6 Å²	72.6	4%	0.037	34%	0.344	C	S	.	.			trans	-83.9	63.2	-178	-59.2	-179.3	0	0	0	111.9	Q401 L464 F467 K469 R474 I475 L480 Y484	Q401-L472 HydrophobicContact CG-CD2 3.83Å; L464-L472 HydrophobicContact CB-CD1 4.44Å; L464-L472 HydrophobicContact CB-CD2 4.41Å; L464-L472 HydrophobicContact CD2-CD2 3.97Å; F467-L472 HydrophobicContact CB-CD2 4.08Å; F467-L472 HydrophobicContact CB-CG 4.46Å; F467-L472 HydrophobicContact CD2-CD2 4.42Å; K469-L472 PolarHBondContact O-N 2.86Å; L472-R474 VanDerWaalsContact C-N 3.32Å; L472-R474 PolarHBondContact O-N 2.92Å; L472-I475 HydrophobicContact CB-CD1 4.46Å; L472-I475 PolarHBondContact O-N 2.6Å; L472-L480 HydrophobicContact CB-CD1 3.98Å; L472-L480 HydrophobicContact CD1-CD1 3.78Å; L472-Y484 HydrophobicContact CD1-CD2 3.92Å; L472-Y484 HydrophobicContact CD1-CE2 3.81Å
473	K	91.2	Very high	91	Very high	175 Å²	175	67.5 Å²	67.5	76%	0.761	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.6	-169.8	-61.3	177.9	-174.4	173.8	0	115.2	L471	L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 2.79Å
474	R	91.3	Very high	90.8	Very high	143 Å²	143	69.3 Å²	69.3	54%	0.54	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.2	-176.5	-56.9	-172.8	170.7	-148.3	-1.1	113.8	N400 Q401 L472	N400-R474 WeakPolarHBondContact O-CD 3.09Å; Q401-R474 HydrophobicContact CB-CB 4.45Å; L472-R474 VanDerWaalsContact C-N 3.32Å; L472-R474 PolarHBondContact O-N 2.92Å
475	I	92	Very high	90.4	Very high	13 Å²	13	73.8 Å²	73.8	7%	0.067	36%	0.356	C	S	.	.	S	Bend	trans	-100.3	124.6	-177.9	-57.7	-177.9	0	0	0	109.4	D397 Q401 W461 L464 L472 I479 L480	D397-I475 HydrophobicContact CB-CG1 4.33Å; D397-I475 HydrophobicContact CB-CG2 4.45Å; Q401-I475 HydrophobicContact CB-CD1 3.93Å; Q401-I475 HydrophobicContact CB-CG1 3.85Å; Q401-I475 HydrophobicContact CG-CD1 3.89Å; Q401-I475 HydrophobicContact CG-CG1 4.05Å; W461-I475 HydrophobicContact CH2-CD1 3.96Å; W461-I475 HydrophobicContact CH2-CG2 4.06Å; W461-I475 HydrophobicContact CZ3-CD1 4.16Å; L464-I475 HydrophobicContact CD1-CD1 3.88Å; L472-I475 HydrophobicContact CB-CD1 4.46Å; L472-I475 PolarHBondContact O-N 2.6Å; I475-I479 HydrophobicContact CG2-CB 4.13Å; I475-I479 HydrophobicContact CG2-CG2 3.93Å; I475-L480 HydrophobicContact CB-CD1 4.29Å; I475-L480 HydrophobicContact CG2-CB 4.15Å; I475-L480 HydrophobicContact CG2-CD1 4.18Å
476	P	92.4	Very high	89.7	Confident	59 Å²	59	79.5 Å²	79.5	38%	0.383	38%	0.378	S	S	.	.			trans	-58.5	142.1	173.4	-23.7	33.6	0	0	0	112	D397 K478 I479 L480	D397-P476 WeakPolarHBondContact OD1-CD 3.48Å; D397-P476 WeakPolarHBondContact OD2-CD 3.41Å; P476-K478 PolarHBondContact O-N 2.98Å; P476-K478 VanDerWaalsContact O-N 3.14Å; P476-I479 HydrophobicContact CG-CD1 4.32Å; P476-I479 PolarHBondContact O-N 3.28Å; P476-L480 PolarHBondContact O-N 2.65Å
477	S	90.1	Very high	89.7	Confident	85 Å²	85	81.7 Å²	81.7	59%	0.594	39%	0.387	S	S	*	.	H	α-helix	trans	-53.3	-39.3	-177.9	52.5	0	0	0	0	113.5	I479 L480 E481	S477-I479 VanDerWaalsContact C-N 3.31Å; S477-I479 PolarHBondContact O-N 2.91Å; S477-L480 WeakPolarHBondContact O-CB 3.23Å; S477-L480 PolarHBondContact O-N 2.86Å; S477-E481 WeakPolarHBondContact O-CG 3.16Å; S477-E481 PolarHBondContact O-N 3.42Å
478	K	91.2	Very high	89.6	Confident	161 Å²	161	85.9 Å²	85.9	70%	0.7	41%	0.408	S	S	*	.	H	α-helix	trans	-57.8	-40	177.9	-175.8	-178.7	176.5	-172	0	113.2	P476	P476-K478 PolarHBondContact O-N 2.98Å; P476-K478 VanDerWaalsContact O-N 3.14Å
479	I	90.9	Very high	89.5	Confident	19 Å²	19	87.3 Å²	87.3	10%	0.097	41%	0.408	C	S	.	.	H	α-helix	trans	-79.6	-40.7	-179	-70.5	169	0	0	0	109.6	D394 D397 W461 I475 P476 S477 E481 K482 Y483	D394-I479 HydrophobicContact CB-CG2 3.59Å; D397-I479 WeakPolarHBondContact OD2-CD1 3.13Å; W461-I479 HydrophobicContact CH2-CG2 3.95Å; W461-I479 HydrophobicContact CZ2-CG2 3.68Å; I475-I479 HydrophobicContact CG2-CB 4.13Å; I475-I479 HydrophobicContact CG2-CG2 3.93Å; P476-I479 HydrophobicContact CG-CD1 4.32Å; P476-I479 PolarHBondContact O-N 3.28Å; S477-I479 VanDerWaalsContact C-N 3.31Å; S477-I479 PolarHBondContact O-N 2.91Å; I479-E481 PolarHBondContact O-N 2.94Å; I479-K482 PolarHBondContact O-N 3.24Å; I479-Y483 HydrophobicContact CG2-CD2 3.92Å; I479-Y483 HydrophobicContact CG2-CE2 4.33Å; I479-Y483 WeakPolarHBondContact O-CD2 3.43Å; I479-Y483 PolarHBondContact O-N 2.94Å; I479-Y483 VanDerWaalsContact O-N 3.17Å
480	L	90.3	Very high	89.6	Confident	24 Å²	24	86 Å²	86	13%	0.126	40%	0.404	C	S	.	.	H	α-helix	trans	-56.5	-48.2	175.9	-165	92.9	0	0	0	111.7	K469 L472 I475 P476 S477 K482 Y484	K469-L480 HydrophobicContact CB-CD2 4.13Å; K469-L480 HydrophobicContact CD-CD2 4.29Å; K469-L480 HydrophobicContact CG-CD2 4.2Å; L472-L480 HydrophobicContact CB-CD1 3.98Å; L472-L480 HydrophobicContact CD1-CD1 3.78Å; I475-L480 HydrophobicContact CB-CD1 4.29Å; I475-L480 HydrophobicContact CG2-CB 4.15Å; I475-L480 HydrophobicContact CG2-CD1 4.18Å; P476-L480 PolarHBondContact O-N 2.65Å; S477-L480 WeakPolarHBondContact O-CB 3.23Å; S477-L480 PolarHBondContact O-N 2.86Å; L480-K482 PolarHBondContact O-N 2.75Å; L480-Y484 HydrophobicContact CD1-CD2 4.45Å; L480-Y484 WeakPolarHBondContact O-CB 3.45Å; L480-Y484 PolarHBondContact O-N 3.29Å
481	E	89.9	Confident	89.6	Confident	143 Å²	143	80.4 Å²	80.4	67%	0.668	38%	0.378	S	S	*	.	H	α-helix	trans	-62.4	-31.1	179.5	-74.9	175.1	-172.6	0	0	113.1	S477 I479 P485	S477-E481 WeakPolarHBondContact O-CG 3.16Å; S477-E481 PolarHBondContact O-N 3.42Å; I479-E481 PolarHBondContact O-N 2.94Å; E481-P485 VanDerWaalsContact O-CD 3.31Å; E481-P485 WeakPolarHBondContact O-CD 3.45Å; E481-P485 WeakPolarHBondContact O-CG 3.1Å
482	K	90.9	Very high	89.6	Confident	103 Å²	103	84.6 Å²	84.6	45%	0.448	40%	0.397	S	S	.	.	H	α-helix	trans	-79.4	-39.5	-176.6	-174.4	174	175.3	-178.6	0	113.4	E393 I479 L480	E393-K482 WeakPolarHBondContact OE1-CD 3.5Å; E393-K482 WeakPolarHBondContact OE1-CE 3.47Å; E393-K482 IonicContact OE1-NZ 2.65Å; E393-K482 PolarHBondContact OE1-NZ 2.78Å; I479-K482 PolarHBondContact O-N 3.24Å; L480-K482 PolarHBondContact O-N 2.75Å
483	Y	90.4	Very high	89.5	Confident	13 Å²	13	90.1 Å²	90.1	5%	0.051	42%	0.423	C	S	.	.	H	α-helix	trans	-114	-21.3	-168.5	-62.3	-67.5	0	0	0	115.2	R392 E393 D394 W461 R465 I479 P485	R392-Y483 PolarHBondContact NE-OH 3.17Å; E393-Y483 HydrophobicContact CG-CE2 4.36Å; E393-Y483 PolarHBondContact OE1-OH 2.65Å; D394-Y483 HydrophobicContact CB-CD2 4.13Å; D394-Y483 HydrophobicContact CB-CE2 3.86Å; W461-Y483 AromaticContact CE2-CG 3.96Å; W461-Y483 AromaticContact CZ2-CD2 3.87Å; W461-Y483 HydrophobicContact CZ2-CD2 3.87Å; W461-Y483 HydrophobicContact CZ2-CG 4.05Å; W461-Y483 AromaticContact NE1-CG 3.99Å; R465-Y483 PolarHBondContact NH2-O 3.38Å; I479-Y483 HydrophobicContact CG2-CD2 3.92Å; I479-Y483 HydrophobicContact CG2-CE2 4.33Å; I479-Y483 WeakPolarHBondContact O-CD2 3.43Å; I479-Y483 PolarHBondContact O-N 2.94Å; I479-Y483 VanDerWaalsContact O-N 3.17Å; Y483-P485 VanDerWaalsContact C-CD 3.47Å
484	Y	88.7	Confident	89.4	Confident	43 Å²	43	83.6 Å²	83.6	17%	0.169	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-37.2	175.1	-167.9	-87.3	0	0	0	114.9	R465 F467 K469 L472 L480 R486	R465-Y484 HydrophobicContact CG-CD2 4.39Å; R465-Y484 HydrophobicContact CG-CE2 4.48Å; F467-Y484 PolarHBondContact O-OH 3.08Å; K469-Y484 HydrophobicContact CD-CD1 4.11Å; K469-Y484 HydrophobicContact CD-CE1 4.04Å; K469-Y484 HydrophobicContact CG-CD1 3.84Å; K469-Y484 HydrophobicContact CG-CD2 4.25Å; K469-Y484 HydrophobicContact CG-CE1 3.49Å; K469-Y484 VanDerWaalsContact CG-CE1 3.49Å; K469-Y484 HydrophobicContact CG-CE2 3.95Å; K469-Y484 HydrophobicContact CG-CG 4.19Å; L472-Y484 HydrophobicContact CD1-CD2 3.92Å; L472-Y484 HydrophobicContact CD1-CE2 3.81Å; L480-Y484 HydrophobicContact CD1-CD2 4.45Å; L480-Y484 WeakPolarHBondContact O-CB 3.45Å; L480-Y484 PolarHBondContact O-N 3.29Å; Y484-R486 VanDerWaalsContact C-N 3.29Å; Y484-R486 PolarHBondContact O-N 3.22Å
485	P	85.9	Confident	89.2	Confident	94 Å²	94	78.7 Å²	78.7	61%	0.61	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.5	-176.1	31.9	-34.1	0	0	0	114.8	E481 Y483	E481-P485 VanDerWaalsContact O-CD 3.31Å; E481-P485 WeakPolarHBondContact O-CD 3.45Å; E481-P485 WeakPolarHBondContact O-CG 3.1Å; Y483-P485 VanDerWaalsContact C-CD 3.47Å
486	R	78.1	Confident	89	Confident	187 Å²	187	84.6 Å²	84.6	71%	0.706	41%	0.414	S	S	*	.			trans	-77.9	0	170.7	-67.4	-174.7	177.8	-164.1	-4.2	110.2	R465 Y484	R465-R486 VanDerWaalsContact CD-OXT 3.31Å; R465-R486 WeakPolarHBondContact CD-OXT 3.48Å; R465-R486 PolarHBondContact NE-OXT 2.94Å; R465-R486 PolarHBondContact NH1-O 3.49Å; R465-R486 PolarHBondContact NH1-OXT 3.37Å; R465-R486 PolarHBondContact NH2-OXT 2.75Å; Y484-R486 VanDerWaalsContact C-N 3.29Å; Y484-R486 PolarHBondContact O-N 3.22Å

Retrieved 486 of 486 residues in 161.7 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).