A0A087YH08_POEFO Loading...

4'-phosphopantetheine phosphatase

Phosphatase which shows a preference for 4'-phosphopantetheine and its oxidatively damaged forms (sulfonate or S-sulfonate), providing strong indirect evidence that the phosphatase activity pre-empts damage in the coenzyme A (CoA) pathway. Hydrolyzing excess 4'-phosphopantetheine could constitute a directed overflow mechanism to prevent its oxidation to the S-sulfonate, sulfonate, or other forms. Hydrolyzing 4'-phosphopantetheine sulfonate or S-sulfonate would forestall their conversion to inactive forms of CoA and acyl carrier protein. May play a role in the physiological regulation of CoA intracellular levels.

AlphaFold DB , UniProt , Accession A0A087YH08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 774 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	26.5	Very low	249 Å²	249	151.8 Å²	151.8	100%	1.227	86%	0.863	S	S	*	*				0	151.4	0	-80.3	-175.4	-178.4	0	0	108
2	A	32	Very low	26.4	Very low	96 Å²	96	147.4 Å²	147.4	79%	0.793	85%	0.849	S	S	*	*			trans	-61.3	163.3	-155.2	0	0	0	0	0	117.7
3	E	26.1	Very low	26.3	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	84%	0.837	S	S	*	*			trans	94.7	131.2	151.5	-79.4	-174.9	168.9	0	0	122.6
4	C	25.7	Very low	26.3	Very low	137 Å²	137	145.9 Å²	145.9	93%	0.926	84%	0.835	S	S	*	*			trans	85.9	110	152	-139.1	0	0	0	0	119.3
5	G	24.7	Very low	26.2	Very low	72 Å²	72	144.5 Å²	144.5	74%	0.742	83%	0.831	S	S	*	*			trans	-159.4	116.1	166.9	0	0	0	0	0	111.1
6	R	25.1	Very low	26.2	Very low	251 Å²	251	147.8 Å²	147.8	95%	0.947	84%	0.839	S	S	*	*			trans	-55.1	145.6	-173.5	-70.6	169.5	169.9	165.9	-5.3	114.4
7	V	25.8	Very low	26.4	Very low	138 Å²	138	147.8 Å²	147.8	84%	0.836	84%	0.836	S	S	*	*			trans	-97.2	125.7	166.7	177.8	0	0	0	0	108.1
8	D	24.1	Very low	26.6	Very low	155 Å²	155	150.2 Å²	150.2	83%	0.829	84%	0.836	S	S	*	*			trans	-151.3	134.4	150.2	-103.3	-27.9	0	0	0	112.2
9	S	28.3	Very low	27	Very low	99 Å²	99	147.8 Å²	147.8	69%	0.692	83%	0.831	S	S	*	*			trans	54.7	112.6	155.8	66.7	0	0	0	0	121.2
10	N	24.6	Very low	27.2	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	82%	0.819	S	S	*	*			trans	-156.8	121.4	130.7	-110.5	-9.9	0	0	0	113.2
11	T	25.8	Very low	27.7	Very low	130 Å²	130	144.3 Å²	144.3	80%	0.798	81%	0.811	S	S	*	*			trans	12	109.5	148.7	52.4	0	0	0	0	119
12	S	25.4	Very low	28.3	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	76%	0.756	S	S	*	*			trans	-92.4	102.9	159.2	58.8	0	0	0	0	110.4	H14	S12-H14 PolarHBondContact O-N 3.32Å
13	S	24.3	Very low	29	Very low	100 Å²	100	131.3 Å²	131.3	70%	0.699	74%	0.736	S	S	*	*			trans	-63.6	110.9	161.3	55	0	0	0	0	109.2	T15	S13-T15 PolarHBondContact O-N 2.77Å; S13-T15 VanDerWaalsContact O-N 3.14Å
14	H	26.3	Very low	29.8	Very low	173 Å²	173	124.6 Å²	124.6	80%	0.801	71%	0.709	S	S	*	*			trans	-78.9	90.5	165	-81.4	-62.2	0	0	0	108.9	S12 M16	S12-H14 PolarHBondContact O-N 3.32Å; H14-M16 PolarHBondContact O-N 2.81Å
15	T	25.1	Very low	30.9	Very low	126 Å²	126	124.4 Å²	124.4	77%	0.773	70%	0.699	S	S	*	*			trans	-61	108.3	157.8	18.8	0	0	0	0	108.3	S13 D17	S13-T15 PolarHBondContact O-N 2.77Å; S13-T15 VanDerWaalsContact O-N 3.14Å; T15-D17 VanDerWaalsContact C-N 3.32Å; T15-D17 PolarHBondContact O-N 3.33Å; T15-D17 VanDerWaalsContact O-N 3.14Å
16	M	26.1	Very low	32.2	Very low	197 Å²	197	129.5 Å²	129.5	97%	0.97	70%	0.703	S	S	*	*			trans	-76.1	91.8	162.3	-77.8	-148.1	-162.8	0	0	107.9	H14	H14-M16 PolarHBondContact O-N 2.81Å
17	D	29.5	Very low	33.6	Very low	147 Å²	147	119.3 Å²	119.3	79%	0.786	67%	0.667	S	S	*	*			trans	-110.9	97.4	164.8	-155.9	4.7	0	0	0	108	T15	T15-D17 VanDerWaalsContact C-N 3.32Å; T15-D17 PolarHBondContact O-N 3.33Å; T15-D17 VanDerWaalsContact O-N 3.14Å
18	K	30.7	Very low	35.1	Very low	192 Å²	192	113 Å²	113	84%	0.835	63%	0.628	S	S	*	*			trans	-148.8	104	152.7	-77.7	-160.9	179.3	178.8	0	107.6	I20	K18-I20 PolarHBondContact O-N 2.81Å; K18-I20 VanDerWaalsContact O-N 3.16Å
19	S	33.9	Very low	37	Very low	105 Å²	105	112.1 Å²	112.1	73%	0.734	61%	0.614	S	S	*	*			trans	-35.8	110.2	161.6	46.3	0	0	0	0	112.3
20	I	31.5	Very low	38.7	Very low	116 Å²	116	108.8 Å²	108.8	60%	0.595	59%	0.588	S	S	*	*			trans	-94.2	98.9	158.3	-61	175	0	0	0	105	K18 L22 Y98	K18-I20 PolarHBondContact O-N 2.81Å; K18-I20 VanDerWaalsContact O-N 3.16Å; I20-L22 PolarHBondContact O-N 2.84Å; I20-Y98 HydrophobicContact CD1-CE1 4.45Å; I20-Y98 HydrophobicContact CG2-CE1 4.25Å
21	T	37	Very low	40.7	Very low	106 Å²	106	101.6 Å²	101.6	65%	0.65	55%	0.549	S	S	*	.			trans	-65.6	116.7	172.9	-31.7	0	0	0	0	107.4	P24	T21-P24 HydrophobicContact CG2-CG 4.16Å
22	L	42.4	Very low	42.4	Very low	14 Å²	14	101.1 Å²	101.1	7%	0.073	54%	0.538	C	S	.	.			trans	-50.3	141.7	158.5	-65.4	173.4	0	0	0	107.2	I20 P24 F28 T101 F105 F405	I20-L22 PolarHBondContact O-N 2.84Å; L22-P24 WeakPolarHBondContact O-CD 3.45Å; L22-P24 WeakPolarHBondContact O-CG 3.49Å; L22-F28 HydrophobicContact CB-CD2 4.46Å; L22-F28 HydrophobicContact CB-CE2 4.01Å; L22-F28 HydrophobicContact CD1-CE2 4.05Å; L22-F28 HydrophobicContact CD1-CZ 4.41Å; L22-F28 HydrophobicContact CD2-CE2 4.37Å; L22-F28 HydrophobicContact CG-CE2 4.38Å; L22-T101 HydrophobicContact CD1-CG2 3.82Å; L22-T101 HydrophobicContact CD2-CG2 4.36Å; L22-T101 HydrophobicContact CG-CG2 3.87Å; L22-F105 HydrophobicContact CD1-CB 4.05Å; L22-F105 HydrophobicContact CD1-CD2 4.26Å; L22-F105 HydrophobicContact CD1-CG 4.17Å; L22-F405 HydrophobicContact CD2-CE1 4.06Å; L22-F405 HydrophobicContact CD2-CE2 4.2Å; L22-F405 HydrophobicContact CD2-CZ 3.37Å
23	P	45.8	Very low	44.4	Very low	58 Å²	58	100.2 Å²	100.2	38%	0.377	53%	0.525	S	S	.	.			trans	-65.6	97.4	171.3	-11.5	25.8	0	0	0	107.7	I27 F405	P23-I27 HydrophobicContact CB-CD1 4.01Å; P23-I27 HydrophobicContact CG-CD1 3.82Å; P23-F405 HydrophobicContact CG-CD2 4.36Å; P23-F405 HydrophobicContact CG-CE2 4.35Å
24	P	44.6	Very low	46.7	Very low	49 Å²	49	95.5 Å²	95.5	32%	0.318	49%	0.493	S	S	.	.	H	α-helix	trans	-78.3	-38	-164.4	-5.1	23.8	0	0	0	110.3	T21 L22 E26 F28 F105	T21-P24 HydrophobicContact CG2-CG 4.16Å; L22-P24 WeakPolarHBondContact O-CD 3.45Å; L22-P24 WeakPolarHBondContact O-CG 3.49Å; P24-E26 PolarHBondContact O-N 3Å; P24-F28 PolarHBondContact O-N 2.63Å; P24-F105 HydrophobicContact CB-CE2 4.47Å
25	D	47.6	Very low	48.9	Very low	133 Å²	133	92.8 Å²	92.8	71%	0.711	48%	0.478	S	S	*	.	H	α-helix	trans	-81	-19.7	-161.2	-59	-25.5	0	0	0	114.5
26	E	51.7	Low	51.4	Low	179 Å²	179	88.7 Å²	88.7	84%	0.836	45%	0.449	S	S	*	.	H	α-helix	trans	-108.1	-44	-180	-71.8	-174.3	173	0	0	113.2	P24	P24-E26 PolarHBondContact O-N 3Å
27	I	55.3	Low	54.2	Low	37 Å²	37	79.8 Å²	79.8	19%	0.19	41%	0.405	C	S	.	.	H	α-helix	trans	-83.8	-33.8	-172.1	-62.7	172.9	0	0	0	111.2	P23 I92 F405 M407	P23-I27 HydrophobicContact CB-CD1 4.01Å; P23-I27 HydrophobicContact CG-CD1 3.82Å; I27-I92 HydrophobicContact CG2-CD1 4.04Å; I27-F405 HydrophobicContact CD1-CB 3.74Å; I27-F405 HydrophobicContact CD1-CD2 3.72Å; I27-F405 HydrophobicContact CD1-CG 3.87Å; I27-F405 HydrophobicContact CG2-CB 4.46Å; I27-M407 HydrophobicContact CG2-CE 3.84Å; I27-M407 WeakPolarHBondContact O-CE 3.32Å
28	F	58	Low	57.1	Low	5 Å²	5	72.8 Å²	72.8	2%	0.022	37%	0.367	C	S	.	.	S	Bend	trans	-112.1	9.1	-173.4	-63.5	-69.4	0	0	0	113.4	L22 P24 N30 M31 I92 F105 F405	L22-F28 HydrophobicContact CB-CD2 4.46Å; L22-F28 HydrophobicContact CB-CE2 4.01Å; L22-F28 HydrophobicContact CD1-CE2 4.05Å; L22-F28 HydrophobicContact CD1-CZ 4.41Å; L22-F28 HydrophobicContact CD2-CE2 4.37Å; L22-F28 HydrophobicContact CG-CE2 4.38Å; P24-F28 PolarHBondContact O-N 2.63Å; F28-N30 PolarHBondContact O-N 3.23Å; F28-M31 HydrophobicContact CB-SD 4.47Å; F28-M31 HydrophobicContact CD1-CG 4.14Å; F28-M31 HydrophobicContact CD1-SD 3.29Å; F28-M31 WeakPolarHBondContact CD1-SD 3.46Å; F28-M31 HydrophobicContact CE1-SD 3.82Å; F28-M31 HydrophobicContact CG-SD 4.25Å; F28-M31 WeakPolarHBondContact O-CB 3.46Å; F28-M31 PolarHBondContact O-N 3.16Å; F28-I92 HydrophobicContact CD1-CD1 3.67Å; F28-I92 HydrophobicContact CE1-CD1 3.33Å; F28-I92 HydrophobicContact CZ-CD1 4.17Å; F28-F105 HydrophobicContact CB-CD1 4.43Å; F28-F105 HydrophobicContact CB-CE1 3.41Å; F28-F105 VanDerWaalsContact CB-CE1 3.41Å; F28-F105 HydrophobicContact CB-CE2 4.49Å; F28-F105 HydrophobicContact CB-CZ 3.44Å; F28-F105 VanDerWaalsContact CB-CZ 3.44Å; F28-F105 HydrophobicContact CD1-CD1 4.23Å; F28-F105 AromaticContact CD1-CE1 3.92Å; F28-F105 HydrophobicContact CD1-CE1 3.92Å; F28-F105 HydrophobicContact CD2-CE1 4.33Å; F28-F105 HydrophobicContact CD2-CZ 4.37Å; F28-F105 HydrophobicContact CG-CD1 4.21Å; F28-F105 AromaticContact CG-CE1 3.64Å; F28-F105 HydrophobicContact CG-CE1 3.64Å; F28-F105 AromaticContact CG-CZ 3.94Å; F28-F105 HydrophobicContact CG-CZ 3.94Å; F28-F405 HydrophobicContact CZ-CE1 4.32Å
29	R	62.8	Low	59.9	Low	138 Å²	138	63.7 Å²	63.7	52%	0.521	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-48.6	-37.9	-179.7	-174.4	177.7	172.6	-160.7	-5.5	113.6
30	N	63.5	Low	62.6	Low	29 Å²	29	59.5 Å²	59.5	16%	0.155	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-89.8	-2.3	-176.8	-64	-42.7	0	0	0	113.6	F28 E32 S52 H90 E409	F28-N30 PolarHBondContact O-N 3.23Å; N30-E32 VanDerWaalsContact C-N 3.34Å; N30-S52 WeakPolarHBondContact O-CB 3.39Å; N30-H90 VanDerWaalsContact CB-CE1 3.47Å; N30-H90 WeakPolarHBondContact CB-CE1 3.44Å; N30-H90 PolarHBondContact ND2-CE1 3.32Å; N30-H90 VanDerWaalsContact ND2-CE1 3.32Å; N30-E409 PolarHBondContact ND2-OE1 3.45Å
31	M	66.6	Low	65.2	Low	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-72.2	-24.4	178.4	-89.6	-168.8	50.5	0	0	113.6	F28 N33 A34 F37 L48 Y50 F105 I106 H109	F28-M31 HydrophobicContact CB-SD 4.47Å; F28-M31 HydrophobicContact CD1-CG 4.14Å; F28-M31 HydrophobicContact CD1-SD 3.29Å; F28-M31 WeakPolarHBondContact CD1-SD 3.46Å; F28-M31 HydrophobicContact CE1-SD 3.82Å; F28-M31 HydrophobicContact CG-SD 4.25Å; F28-M31 WeakPolarHBondContact O-CB 3.46Å; F28-M31 PolarHBondContact O-N 3.16Å; M31-N33 PolarHBondContact O-N 3.47Å; M31-N33 VanDerWaalsContact O-N 3.15Å; M31-A34 WeakPolarHBondContact O-CB 3.49Å; M31-A34 PolarHBondContact O-N 3.43Å; M31-F37 HydrophobicContact CE-CE1 3.99Å; M31-F37 HydrophobicContact CE-CZ 4.38Å; M31-L48 HydrophobicContact SD-CD2 4.26Å; M31-Y50 HydrophobicContact CB-CE2 4.46Å; M31-Y50 HydrophobicContact CG-CD1 4.18Å; M31-Y50 HydrophobicContact CG-CD2 4.11Å; M31-Y50 HydrophobicContact CG-CE1 3.71Å; M31-Y50 HydrophobicContact CG-CE2 3.64Å; M31-Y50 HydrophobicContact CG-CG 4.37Å; M31-Y50 VanDerWaalsContact CG-CZ 3.42Å; M31-Y50 HydrophobicContact SD-CE1 4.23Å; M31-F105 HydrophobicContact CB-CE1 4.14Å; M31-F105 HydrophobicContact CE-CD1 3.43Å; M31-F105 VanDerWaalsContact CE-CD1 3.43Å; M31-F105 HydrophobicContact CE-CE1 3.63Å; M31-F105 HydrophobicContact SD-CD1 3.85Å; M31-F105 HydrophobicContact SD-CE1 3.75Å; M31-I106 HydrophobicContact CE-CB 4.21Å; M31-I106 HydrophobicContact CE-CG1 3.65Å; M31-H109 HydrophobicContact CE-CB 4.37Å
32	E	63.4	Low	67.3	Low	121 Å²	121	49.8 Å²	49.8	57%	0.565	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-55.6	-30.8	175.2	-76.4	178.6	-174.2	0	0	112.6	N30 V111	N30-E32 VanDerWaalsContact C-N 3.34Å; E32-V111 WeakPolarHBondContact O-CG2 3.17Å
33	N	66.6	Low	68.6	Low	79 Å²	79	52.4 Å²	52.4	42%	0.422	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-106.2	19.7	179.7	-63.7	-47.4	0	0	0	112.9	M31 S52 T53	M31-N33 PolarHBondContact O-N 3.47Å; M31-N33 VanDerWaalsContact O-N 3.15Å; N33-S52 WeakPolarHBondContact O-CA 3.41Å; N33-T53 WeakPolarHBondContact CB-O 3.35Å; N33-T53 PolarHBondContact O-N 3.27Å
34	A	72.9	Confident	69.7	Low	1 Å²	1	52.2 Å²	52.2	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.9	-177.8	0	0	0	0	0	111.5	M31 F37 Y50 Y51	M31-A34 WeakPolarHBondContact O-CB 3.49Å; M31-A34 PolarHBondContact O-N 3.43Å; A34-F37 HydrophobicContact CB-CE1 3.81Å; A34-F37 HydrophobicContact CB-CE2 3.93Å; A34-F37 HydrophobicContact CB-CZ 3.29Å; A34-Y50 HydrophobicContact CB-CD2 3.75Å; A34-Y50 HydrophobicContact CB-CE2 4.41Å; A34-Y50 HydrophobicContact CB-CG 4.45Å; A34-Y51 CarbonylContact C-O 3.58Å; A34-Y51 VanDerWaalsContact CA-O 3.24Å; A34-Y51 WeakPolarHBondContact CA-O 3.42Å
35	K	71.6	Confident	71.2	Confident	116 Å²	116	50.5 Å²	50.5	50%	0.504	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-25.8	-176.9	-55.9	-169.3	-177.9	-178.5	0	113.8	Y51 T53 T113	K35-Y51 HydrophobicContact CB-CD1 4.06Å; K35-Y51 HydrophobicContact CB-CE1 4.45Å; K35-Y51 HydrophobicContact CD-CE1 4.12Å; K35-Y51 HydrophobicContact CG-CD1 4.37Å; K35-Y51 HydrophobicContact CG-CE1 4.41Å; K35-Y51 PolarHBondContact N-O 2.79Å; K35-T53 HydrophobicContact CD-CG2 4.49Å; K35-T113 WeakPolarHBondContact O-CG2 3.38Å
36	R	78.4	Confident	72.9	Confident	41 Å²	41	44.2 Å²	44.2	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.6	-177	-173.1	179.6	-73	141.6	-5.3	109.8	Y50 Y51 F363 G366 D370	R36-Y50 CarbonylContact O-C 3.55Å; R36-Y50 WeakPolarHBondContact O-CA 3.42Å; R36-Y50 WeakPolarHBondContact O-CB 3.21Å; R36-Y51 PolarHBondContact O-N 3.43Å; R36-F363 HydrophobicContact CB-CE2 4.05Å; R36-F363 HydrophobicContact CG-CE2 4.02Å; R36-G366 PolarHBondContact NE-O 2.85Å; R36-G366 PolarHBondContact NH2-O 2.76Å; R36-D370 IonicContact CZ-OD2 3.82Å; R36-D370 VanDerWaalsContact CZ-OD2 3.23Å; R36-D370 IonicContact NH1-OD2 3.89Å; R36-D370 PolarHBondContact NH1-OD2 3.42Å; R36-D370 IonicContact NH2-OD2 3.69Å; R36-D370 PolarHBondContact NH2-OD2 2.91Å
37	F	84.6	Confident	74.6	Confident	10 Å²	10	36.7 Å²	36.7	4%	0.044	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.1	179.8	-60.9	-91.6	0	0	0	110.3	M31 A34 L48 A49 Y50 I106 L110 I118	M31-F37 HydrophobicContact CE-CE1 3.99Å; M31-F37 HydrophobicContact CE-CZ 4.38Å; A34-F37 HydrophobicContact CB-CE1 3.81Å; A34-F37 HydrophobicContact CB-CE2 3.93Å; A34-F37 HydrophobicContact CB-CZ 3.29Å; F37-L48 HydrophobicContact CD1-CD1 4.15Å; F37-A49 CarbonylContact C-O 3.57Å; F37-A49 WeakPolarHBondContact CA-O 3.3Å; F37-Y50 VanDerWaalsContact CD1-CB 3.46Å; F37-Y50 HydrophobicContact CD1-CG 4.29Å; F37-Y50 HydrophobicContact CE1-CG 4.14Å; F37-I106 HydrophobicContact CD1-CG2 4.33Å; F37-I106 HydrophobicContact CE1-CG1 4.33Å; F37-I106 HydrophobicContact CE1-CG2 4.15Å; F37-I106 HydrophobicContact CE2-CG2 4.34Å; F37-I106 HydrophobicContact CG-CG2 4.5Å; F37-I106 HydrophobicContact CZ-CG2 4.12Å; F37-L110 HydrophobicContact CE2-CD2 4.32Å; F37-L110 HydrophobicContact CE2-CG 4.12Å; F37-I118 HydrophobicContact CB-CD1 4.14Å; F37-I118 HydrophobicContact CB-CG1 4.36Å
38	A	89.3	Confident	76.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.1	164.3	0	0	0	0	0	110	A49 K119 A362 F363	A38-A49 HydrophobicContact CB-CB 4.37Å; A38-A49 PolarHBondContact N-O 2.97Å; A38-A49 PolarHBondContact O-N 3.34Å; A38-A49 VanDerWaalsContact O-O 3.13Å; A38-K119 CarbonylContact C-O 3.59Å; A38-K119 WeakPolarHBondContact CA-O 3.39Å; A38-K119 HydrophobicContact CB-CB 4Å; A38-A362 HydrophobicContact CB-CB 3.94Å; A38-F363 VanDerWaalsContact CB-CA 3.49Å; A38-F363 HydrophobicContact CB-CB 3.83Å; A38-F363 VanDerWaalsContact CB-N 3.33Å
39	I	90	Very high	77.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.8	-175.6	-159	170.1	0	0	0	111.1	I41 T46 K47 K119 A120 T121	I39-I41 HydrophobicContact CD1-CD1 4.12Å; I39-I41 HydrophobicContact CD1-CG1 4.03Å; I39-I41 HydrophobicContact CG1-CD1 4.36Å; I39-I41 HydrophobicContact CG1-CG1 3.83Å; I39-I41 HydrophobicContact CG2-CD1 4.15Å; I39-I41 HydrophobicContact CG2-CG1 4.2Å; I39-T46 HydrophobicContact CD1-CG2 3.6Å; I39-T46 HydrophobicContact CG1-CG2 3.6Å; I39-K47 CarbonylContact C-O 3.56Å; I39-K47 WeakPolarHBondContact CA-O 3.34Å; I39-K47 WeakPolarHBondContact CG1-O 3.41Å; I39-K119 PolarHBondContact N-O 2.79Å; I39-A120 HydrophobicContact CG2-CB 3.63Å; I39-A120 CarbonylContact O-C 3.37Å; I39-A120 VanDerWaalsContact O-CA 3.24Å; I39-A120 WeakPolarHBondContact O-CA 3.45Å; I39-T121 PolarHBondContact O-N 2.94Å
40	D	90.4	Very high	78.7	Confident	16 Å²	16	28.1 Å²	28.1	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.2	167.5	169.4	27.5	0	0	0	108.5	T46 K47 T121 A359	D40-T46 CarbonylContact O-C 3.4Å; D40-T46 WeakPolarHBondContact O-CA 3.47Å; D40-K47 HydrophobicContact CB-CB 4.45Å; D40-K47 HydrophobicContact CB-CD 4.42Å; D40-K47 PolarHBondContact N-O 3.22Å; D40-K47 PolarHBondContact O-N 3.27Å; D40-K47 IonicContact OD2-NZ 3.22Å; D40-T121 HydrophobicContact CB-CG2 3.79Å; D40-A359 HydrophobicContact CB-CB 3.93Å
41	I	86.8	Confident	79.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	96	-178.6	-47.9	169.7	0	0	0	108.7	I39 T46 I99 T121 G122 G124 F128 I132	I39-I41 HydrophobicContact CD1-CD1 4.12Å; I39-I41 HydrophobicContact CD1-CG1 4.03Å; I39-I41 HydrophobicContact CG1-CD1 4.36Å; I39-I41 HydrophobicContact CG1-CG1 3.83Å; I39-I41 HydrophobicContact CG2-CD1 4.15Å; I39-I41 HydrophobicContact CG2-CG1 4.2Å; I41-T46 HydrophobicContact CG1-CG2 4.22Å; I41-I99 HydrophobicContact CD1-CD1 3.83Å; I41-I99 HydrophobicContact CG1-CD1 4.33Å; I41-I99 HydrophobicContact CG2-CD1 4.32Å; I41-T121 PolarHBondContact N-O 3.09Å; I41-G122 CarbonylContact O-C 3.49Å; I41-G124 VanDerWaalsContact O-CA 3.26Å; I41-G124 WeakPolarHBondContact O-CA 3.43Å; I41-G124 PolarHBondContact O-N 3.46Å; I41-F128 HydrophobicContact CD1-CB 4.05Å; I41-F128 HydrophobicContact CD1-CD2 4.33Å; I41-F128 HydrophobicContact CG2-CD2 3.66Å; I41-F128 HydrophobicContact CG2-CE2 3.82Å; I41-I132 HydrophobicContact CD1-CD1 3.73Å
42	G	80.3	Confident	80.4	Confident	18 Å²	18	28.9 Å²	28.9	19%	0.186	16%	0.162	C	C	.	.			trans	-79.4	-179.4	173.5	0	0	0	0	0	112.7	S44 L45 N96	G42-S44 VanDerWaalsContact C-N 3.31Å; G42-S44 PolarHBondContact O-N 2.91Å; G42-L45 WeakPolarHBondContact CA-O 3.48Å; G42-L45 PolarHBondContact N-O 3.21Å; G42-N96 PolarHBondContact O-ND2 3.05Å
43	G	70.7	Confident	81.2	Confident	69 Å²	69	24.1 Å²	24.1	71%	0.711	14%	0.141	S	C	*	.	S	Bend	trans	-60.1	-36.7	179.5	0	0	0	0	0	114.3	N96	G43-N96 VanDerWaalsContact C-ND2 3.34Å; G43-N96 PolarHBondContact O-ND2 3.13Å
44	S	67.8	Low	81.8	Confident	54 Å²	54	21.2 Å²	21.2	38%	0.378	13%	0.126	S	C	.	.	S	Bend	trans	-118.8	-26.1	-175.9	-52.3	0	0	0	0	114.4	G42 N96	G42-S44 VanDerWaalsContact C-N 3.31Å; G42-S44 PolarHBondContact O-N 2.91Å; S44-N96 VanDerWaalsContact C-ND2 3.3Å; S44-N96 PolarHBondContact N-ND2 3.12Å; S44-N96 PolarHBondContact O-N 3.35Å; S44-N96 VanDerWaalsContact O-N 3.15Å
45	L	77	Confident	82	Confident	14 Å²	14	27 Å²	27	7%	0.073	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.2	-172.8	-64.6	178.9	0	0	0	111.8	G42 K93 F94 E95 N96 F322	G42-L45 WeakPolarHBondContact CA-O 3.48Å; G42-L45 PolarHBondContact N-O 3.21Å; L45-K93 HydrophobicContact CD1-CD 4.31Å; L45-K93 VanDerWaalsContact CD1-CE 3.41Å; L45-K93 HydrophobicContact CD1-CG 4.27Å; L45-F94 WeakPolarHBondContact CA-O 3.33Å; L45-E95 HydrophobicContact CD2-CB 4.32Å; L45-E95 HydrophobicContact CD2-CG 4Å; L45-N96 VanDerWaalsContact CA-OD1 3.31Å; L45-N96 WeakPolarHBondContact CA-OD1 3.44Å; L45-N96 PolarHBondContact N-OD1 2.98Å; L45-N96 PolarHBondContact O-OD1 3.38Å; L45-F322 HydrophobicContact CD1-CD2 3.41Å; L45-F322 VanDerWaalsContact CD1-CD2 3.41Å; L45-F322 HydrophobicContact CD1-CE1 4.44Å; L45-F322 HydrophobicContact CD1-CE2 3.08Å; L45-F322 HydrophobicContact CD1-CG 4.21Å; L45-F322 HydrophobicContact CD1-CZ 3.67Å; L45-F322 HydrophobicContact CG-CE2 4.25Å; L45-F322 HydrophobicContact CG-CZ 4.45Å
46	T	83.7	Confident	82.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.9	172.2	-62.9	0	0	0	0	108.8	I39 D40 I41 F94 N96	I39-T46 HydrophobicContact CD1-CG2 3.6Å; I39-T46 HydrophobicContact CG1-CG2 3.6Å; D40-T46 CarbonylContact O-C 3.4Å; D40-T46 WeakPolarHBondContact O-CA 3.47Å; I41-T46 HydrophobicContact CG1-CG2 4.22Å; T46-F94 HydrophobicContact CG2-CE1 4.05Å; T46-F94 HydrophobicContact CG2-CE2 3.71Å; T46-F94 HydrophobicContact CG2-CZ 3.36Å; T46-F94 PolarHBondContact N-O 3.09Å; T46-F94 PolarHBondContact O-N 3.04Å; T46-F94 VanDerWaalsContact O-O 3.08Å; T46-N96 PolarHBondContact N-OD1 2.77Å; T46-N96 PolarHBondContact OG1-OD1 3.07Å
47	K	88	Confident	82.5	Confident	21 Å²	21	24 Å²	24	9%	0.091	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.2	170	-58.2	94.3	-175.3	179.9	0	109.1	I39 D40 I92 K93 G355 Y356 A359	I39-K47 CarbonylContact C-O 3.56Å; I39-K47 WeakPolarHBondContact CA-O 3.34Å; I39-K47 WeakPolarHBondContact CG1-O 3.41Å; D40-K47 HydrophobicContact CB-CB 4.45Å; D40-K47 HydrophobicContact CB-CD 4.42Å; D40-K47 PolarHBondContact N-O 3.22Å; D40-K47 PolarHBondContact O-N 3.27Å; D40-K47 IonicContact OD2-NZ 3.22Å; K47-I92 CarbonylContact C-O 3.6Å; K47-I92 WeakPolarHBondContact CA-O 3.28Å; K47-K93 HydrophobicContact CG-CB 3.9Å; K47-K93 HydrophobicContact CG-CD 4.45Å; K47-K93 HydrophobicContact CG-CG 4.02Å; K47-G355 WeakPolarHBondContact CD-O 3.36Å; K47-G355 WeakPolarHBondContact CE-O 3.43Å; K47-G355 WeakPolarHBondContact CG-O 3.28Å; K47-Y356 HydrophobicContact CG-CD1 4.36Å; K47-A359 HydrophobicContact CB-CB 3.84Å
48	L	87.8	Confident	82.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.4	176.5	-178.4	69	0	0	0	107.9	M31 F37 Y50 F91 I92 F94 I106	M31-L48 HydrophobicContact SD-CD2 4.26Å; F37-L48 HydrophobicContact CD1-CD1 4.15Å; L48-Y50 HydrophobicContact CD2-CD1 4.11Å; L48-Y50 HydrophobicContact CG-CD1 4.28Å; L48-F91 CarbonylContact O-C 3.6Å; L48-F91 WeakPolarHBondContact O-CA 3.4Å; L48-I92 PolarHBondContact N-O 3.3Å; L48-I92 PolarHBondContact O-N 2.79Å; L48-F94 HydrophobicContact CB-CE1 4.11Å; L48-I106 HydrophobicContact CD1-CD1 3.76Å; L48-I106 HydrophobicContact CD2-CD1 3.96Å; L48-I106 HydrophobicContact CD2-CG1 4.26Å
49	A	89.2	Confident	81.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.3	165.7	0	0	0	0	0	108	F37 A38 H90 F91 A359 F363	F37-A49 CarbonylContact C-O 3.57Å; F37-A49 WeakPolarHBondContact CA-O 3.3Å; A38-A49 HydrophobicContact CB-CB 4.37Å; A38-A49 PolarHBondContact N-O 2.97Å; A38-A49 PolarHBondContact O-N 3.34Å; A38-A49 VanDerWaalsContact O-O 3.13Å; A49-H90 CarbonylContact C-O 3.6Å; A49-H90 VanDerWaalsContact CA-O 3.31Å; A49-H90 WeakPolarHBondContact CA-O 3.44Å; A49-F91 HydrophobicContact CB-CD1 3.51Å; A49-F91 HydrophobicContact CB-CE1 3.52Å; A49-A359 HydrophobicContact CB-CB 4.06Å; A49-F363 HydrophobicContact CB-CB 3.76Å; A49-F363 HydrophobicContact CB-CD2 4.35Å; A49-F363 HydrophobicContact CB-CG 4.28Å
50	Y	84.4	Confident	81.3	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.1	169.7	69.6	-87	0	0	0	112.3	M31 A34 R36 F37 L48 H90 I92	M31-Y50 HydrophobicContact CB-CE2 4.46Å; M31-Y50 HydrophobicContact CG-CD1 4.18Å; M31-Y50 HydrophobicContact CG-CD2 4.11Å; M31-Y50 HydrophobicContact CG-CE1 3.71Å; M31-Y50 HydrophobicContact CG-CE2 3.64Å; M31-Y50 HydrophobicContact CG-CG 4.37Å; M31-Y50 VanDerWaalsContact CG-CZ 3.42Å; M31-Y50 HydrophobicContact SD-CE1 4.23Å; A34-Y50 HydrophobicContact CB-CD2 3.75Å; A34-Y50 HydrophobicContact CB-CE2 4.41Å; A34-Y50 HydrophobicContact CB-CG 4.45Å; R36-Y50 CarbonylContact O-C 3.55Å; R36-Y50 WeakPolarHBondContact O-CA 3.42Å; R36-Y50 WeakPolarHBondContact O-CB 3.21Å; F37-Y50 VanDerWaalsContact CD1-CB 3.46Å; F37-Y50 HydrophobicContact CD1-CG 4.29Å; F37-Y50 HydrophobicContact CE1-CG 4.14Å; L48-Y50 HydrophobicContact CD2-CD1 4.11Å; L48-Y50 HydrophobicContact CG-CD1 4.28Å; Y50-H90 HydrophobicContact CD1-CB 3.79Å; Y50-H90 HydrophobicContact CD2-CB 4.14Å; Y50-H90 AromaticContact CD2-CD2 3.74Å; Y50-H90 HydrophobicContact CE1-CB 3.32Å; Y50-H90 AromaticContact CE1-CG 3.98Å; Y50-H90 HydrophobicContact CE2-CB 3.7Å; Y50-H90 AromaticContact CE2-CD2 3.19Å; Y50-H90 WeakPolarHBondContact CE2-CD2 3.44Å; Y50-H90 AromaticContact CE2-CG 3.47Å; Y50-H90 VanDerWaalsContact CE2-CG 3.47Å; Y50-H90 AromaticContact CE2-NE2 3.91Å; Y50-H90 HydrophobicContact CG-CB 4.17Å; Y50-H90 AromaticContact CZ-CD2 3.62Å; Y50-H90 AromaticContact CZ-CG 3.34Å; Y50-H90 PolarHBondContact N-O 3.43Å; Y50-H90 PolarHBondContact O-N 3.43Å; Y50-I92 HydrophobicContact CE1-CD1 3.69Å; Y50-I92 HydrophobicContact CE1-CG1 4.23Å
51	Y	83.8	Confident	80.8	Confident	44 Å²	44	28.9 Å²	28.9	17%	0.173	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.2	173.8	170.6	-79.7	0	0	0	109	A34 K35 R36 T53 A87 R88 L89 F363	A34-Y51 CarbonylContact C-O 3.58Å; A34-Y51 VanDerWaalsContact CA-O 3.24Å; A34-Y51 WeakPolarHBondContact CA-O 3.42Å; K35-Y51 HydrophobicContact CB-CD1 4.06Å; K35-Y51 HydrophobicContact CB-CE1 4.45Å; K35-Y51 HydrophobicContact CD-CE1 4.12Å; K35-Y51 HydrophobicContact CG-CD1 4.37Å; K35-Y51 HydrophobicContact CG-CE1 4.41Å; K35-Y51 PolarHBondContact N-O 2.79Å; R36-Y51 PolarHBondContact O-N 3.43Å; Y51-T53 HydrophobicContact CE1-CG2 4.14Å; Y51-A87 HydrophobicContact CD2-CB 4.36Å; Y51-A87 HydrophobicContact CE2-CB 3.33Å; Y51-A87 VanDerWaalsContact OH-CB 3.27Å; Y51-A87 WeakPolarHBondContact OH-CB 3.3Å; Y51-R88 WeakPolarHBondContact CA-O 3.46Å; Y51-L89 HydrophobicContact CD2-CD2 4.01Å; Y51-F363 VanDerWaalsContact CB-CZ 3.47Å; Y51-F363 HydrophobicContact CD2-CZ 4.28Å; Y51-F363 HydrophobicContact CG-CZ 4.28Å
52	S	82	Confident	80.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.9	171.8	80.5	0	0	0	0	111.2	N30 N33 R88 H90	N30-S52 WeakPolarHBondContact O-CB 3.39Å; N33-S52 WeakPolarHBondContact O-CA 3.41Å; S52-R88 PolarHBondContact N-O 3.15Å; S52-R88 PolarHBondContact O-N 2.75Å; S52-H90 PolarHBondContact OG-NE2 3.5Å
53	T	80.4	Confident	79.8	Confident	21 Å²	21	38.1 Å²	38.1	13%	0.129	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.3	165	40.2	0	0	0	0	109.3	N33 K35 Y51 V85 T86	N33-T53 WeakPolarHBondContact CB-O 3.35Å; N33-T53 PolarHBondContact O-N 3.27Å; K35-T53 HydrophobicContact CD-CG2 4.49Å; Y51-T53 HydrophobicContact CE1-CG2 4.14Å; T53-V85 HydrophobicContact CG2-CG1 3.54Å; T53-T86 CarbonylContact C-O 3.56Å; T53-T86 WeakPolarHBondContact CA-O 3.49Å
54	V	78.4	Confident	79.7	Confident	18 Å²	18	38.7 Å²	38.7	11%	0.109	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123	178.9	-176.8	0	0	0	0	108.4	T86 R88	V54-T86 PolarHBondContact N-O 3.27Å; V54-T86 PolarHBondContact O-N 2.8Å; V54-T86 PolarHBondContact O-OG1 3.07Å; V54-R88 HydrophobicContact CG2-CB 3.78Å
55	Q	78.5	Confident	78.8	Confident	124 Å²	124	42.2 Å²	42.2	58%	0.579	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.6	168.9	-75.6	178.8	-19.9	0	0	108.8	E84 V85	Q55-E84 WeakPolarHBondContact CA-O 3.48Å; Q55-V85 HydrophobicContact CG-CG2 4.12Å
56	H	78.4	Confident	77.5	Confident	39 Å²	39	49 Å²	49	18%	0.181	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.5	172.2	70.8	-58.4	0	0	0	109.3	V58 E84 T86	H56-V58 WeakPolarHBondContact NE2-CG2 3.24Å; H56-E84 PolarHBondContact N-O 3.33Å; H56-E84 PolarHBondContact ND1-O 3.07Å; H56-E84 VanDerWaalsContact ND1-O 3.09Å; H56-E84 PolarHBondContact O-N 3.39Å; H56-T86 WeakPolarHBondContact CE1-CG2 3.36Å; H56-T86 PolarHBondContact ND1-OG1 2.63Å
57	K	81.1	Confident	75.4	Confident	53 Å²	53	53.9 Å²	53.9	23%	0.23	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.1	175.5	-65.8	-166.6	-177.6	-171.9	0	109	V81 Q82 N516 P518	K57-V81 HydrophobicContact CB-CG1 3.68Å; K57-V81 HydrophobicContact CD-CG1 3.75Å; K57-V81 HydrophobicContact CG-CG1 4.04Å; K57-Q82 CarbonylContact C-O 3.55Å; K57-Q82 WeakPolarHBondContact CA-O 3.43Å; K57-N516 HydrophobicContact CB-CB 4.44Å; K57-N516 HydrophobicContact CD-CB 4.12Å; K57-N516 HydrophobicContact CG-CB 4.18Å; K57-N516 PolarHBondContact N-OD1 3.04Å; K57-P518 HydrophobicContact CB-CG 4.1Å; K57-P518 VanDerWaalsContact O-CB 3.31Å; K57-P518 WeakPolarHBondContact O-CB 3.37Å
58	V	79.8	Confident	73.1	Confident	26 Å²	26	58.2 Å²	58.2	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137	173.3	-178.4	0	0	0	0	108.8	H56 K60 V81 Q82 E84	H56-V58 WeakPolarHBondContact NE2-CG2 3.24Å; V58-K60 HydrophobicContact CG1-CG 4.44Å; V58-V81 WeakPolarHBondContact O-CA 3.25Å; V58-Q82 PolarHBondContact N-O 3.22Å; V58-Q82 PolarHBondContact O-N 3.45Å; V58-E84 HydrophobicContact CB-CG 4.19Å; V58-E84 HydrophobicContact CG2-CB 3.96Å; V58-E84 HydrophobicContact CG2-CG 3.9Å; V58-E84 WeakPolarHBondContact CG2-OE2 3.22Å
59	A	79.1	Confident	70.9	Confident	16 Å²	16	68.1 Å²	68.1	13%	0.132	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.9	172.5	0	0	0	0	0	108.7	P518 D519	A59-P518 HydrophobicContact CB-CB 4.24Å; A59-P518 HydrophobicContact CB-CG 4.28Å; A59-D519 HydrophobicContact CB-CB 3.63Å
60	K	79.1	Confident	68.5	Low	70 Å²	70	77.4 Å²	77.4	30%	0.304	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.9	173	-72.5	-163.1	-175.1	161.8	0	110.8	V58 S80 E84	V58-K60 HydrophobicContact CG1-CG 4.44Å; K60-S80 PolarHBondContact N-O 3.48Å; K60-S80 PolarHBondContact O-N 3.19Å; K60-S80 PolarHBondContact O-OG 3.19Å; K60-E84 WeakPolarHBondContact CE-OE1 3.41Å; K60-E84 IonicContact NZ-OE1 2.92Å; K60-E84 PolarHBondContact NZ-OE1 3.09Å
61	V	80.2	Confident	66.3	Low	19 Å²	19	81.7 Å²	81.7	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.4	177	-173.1	0	0	0	0	109.3	Y77 E78 E662 I665	V61-Y77 HydrophobicContact CB-CD2 4.36Å; V61-Y77 HydrophobicContact CG1-CD1 3.8Å; V61-Y77 HydrophobicContact CG1-CD2 3.1Å; V61-Y77 HydrophobicContact CG1-CE1 4.24Å; V61-Y77 HydrophobicContact CG1-CE2 3.57Å; V61-Y77 HydrophobicContact CG1-CG 3.21Å; V61-Y77 HydrophobicContact CG2-CD2 4.4Å; V61-Y77 HydrophobicContact CG2-CE2 4.17Å; V61-E78 WeakPolarHBondContact CA-O 3.34Å; V61-E662 HydrophobicContact CB-CG 4.26Å; V61-E662 HydrophobicContact CG1-CG 4.49Å; V61-E662 HydrophobicContact CG2-CG 3.7Å; V61-I665 HydrophobicContact CB-CD1 4.32Å; V61-I665 HydrophobicContact CG1-CD1 3.49Å; V61-I665 VanDerWaalsContact CG1-CD1 3.49Å
62	R	76.1	Confident	64.3	Low	144 Å²	144	84.9 Å²	84.9	54%	0.543	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.2	176	-69.9	-176.9	174.5	165.4	0.4	110.9	Y77 E78	R62-Y77 WeakPolarHBondContact O-CB 3.42Å; R62-E78 PolarHBondContact N-O 2.86Å; R62-E78 PolarHBondContact O-N 3.36Å
63	S	69.4	Low	62.5	Low	68 Å²	68	87.5 Å²	87.5	48%	0.476	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-68.9	150	167.1	56.8	0	0	0	0	110.5
64	F	68.7	Low	61.4	Low	81 Å²	81	94.5 Å²	94.5	36%	0.355	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-76.2	129.8	171.6	-67.4	-77.1	0	0	0	110.4	H66 K75 E78	F64-H66 PolarHBondContact O-N 2.85Å; F64-K75 HydrophobicContact CE2-CB 4.06Å; F64-K75 WeakPolarHBondContact CE2-O 3.45Å; F64-K75 HydrophobicContact CZ-CB 4.25Å; F64-E78 HydrophobicContact CE1-CB 4Å; F64-E78 HydrophobicContact CZ-CB 3.89Å
65	D	50.2	Low	60.7	Low	127 Å²	127	99.9 Å²	99.9	68%	0.679	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-65.9	116.7	172.8	-93	-24.5	0	0	0	110.3	S67	D65-S67 PolarHBondContact O-N 3.46Å
66	H	48.5	Very low	60.5	Low	158 Å²	158	94.5 Å²	94.5	73%	0.731	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	5.7	179.9	-76.3	-55.7	0	0	0	114.6	F64	F64-H66 PolarHBondContact O-N 2.85Å
67	S	40.9	Very low	60.5	Low	102 Å²	102	92.6 Å²	92.6	71%	0.713	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-16.9	179	51.3	0	0	0	0	114.8	D65	D65-S67 PolarHBondContact O-N 3.46Å
68	T	38.6	Very low	60.4	Low	112 Å²	112	95.2 Å²	95.2	69%	0.687	52%	0.522	S	S	*	.			trans	-110.7	97.9	178.2	39	0	0	0	0	111	E70	T68-E70 PolarHBondContact O-N 3.18Å
69	K	41.4	Very low	60.4	Low	207 Å²	207	96.1 Å²	96.1	90%	0.9	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	16.2	-178.1	-90.8	-174.7	174.3	-179.6	0	116.1
70	E	38.5	Very low	60.5	Low	195 Å²	195	96.5 Å²	96.5	91%	0.911	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	13.1	-168.5	-73.8	-171.6	160.1	0	0	116.9	T68	T68-E70 PolarHBondContact O-N 3.18Å
71	A	39	Very low	60.5	Low	92 Å²	92	96.8 Å²	96.8	76%	0.76	54%	0.535	S	S	*	.			trans	-139.6	70	165.2	0	0	0	0	0	111.4	G73	A71-G73 PolarHBondContact O-N 3.37Å
72	A	42.1	Very low	60.5	Low	111 Å²	111	98 Å²	98	92%	0.917	54%	0.54	S	S	*	.			trans	-70.7	81.9	165	0	0	0	0	0	109.3
73	G	44.7	Very low	60.8	Low	54 Å²	54	97.4 Å²	97.4	56%	0.557	54%	0.543	S	S	*	.			trans	-90.2	137.8	158	0	0	0	0	0	109.2	A71 K75	A71-G73 PolarHBondContact O-N 3.37Å; G73-K75 PolarHBondContact O-N 3.37Å
74	D	57.3	Low	61.3	Low	169 Å²	169	96.5 Å²	96.5	90%	0.904	53%	0.531	S	S	*	.	S	Bend	trans	-63.7	26.1	-175.8	-129.2	3.8	0	0	0	115.3
75	K	63.4	Low	61.9	Low	131 Å²	131	96.5 Å²	96.5	57%	0.57	54%	0.538	S	S	*	.			trans	-103.7	137.4	-171.3	-66.3	-169.5	177.1	-171.6	0	112.5	F64 G73	F64-K75 HydrophobicContact CE2-CB 4.06Å; F64-K75 WeakPolarHBondContact CE2-O 3.45Å; F64-K75 HydrophobicContact CZ-CB 4.25Å; G73-K75 PolarHBondContact O-N 3.37Å
76	L	73.1	Confident	63.2	Low	10 Å²	10	91.3 Å²	91.3	5%	0.052	51%	0.511	C	S	.	.	S	Bend	trans	-60.9	-46.5	-178.3	-166	51	0	0	0	113.5	N529 D530 L533 L666 R669	L76-N529 HydrophobicContact CD2-CB 3.58Å; L76-D530 VanDerWaalsContact CB-OD1 3.28Å; L76-D530 WeakPolarHBondContact CB-OD1 3.38Å; L76-L533 HydrophobicContact CD1-CD1 3.45Å; L76-L533 VanDerWaalsContact CD1-CD1 3.45Å; L76-L533 HydrophobicContact CD2-CD1 3.85Å; L76-L533 HydrophobicContact CG-CD1 4.32Å; L76-L666 HydrophobicContact CD2-CD2 3.8Å; L76-R669 HydrophobicContact CD1-CG 4.16Å
77	Y	78.5	Confident	64.8	Low	0 Å²	0	83.9 Å²	83.9	0%	0	48%	0.476	C	S	.	.	S	Bend	trans	-156.7	163.8	-178.3	44.9	-115.1	0	0	0	109.6	V61 R62 I79 E526 N529 I665	V61-Y77 HydrophobicContact CB-CD2 4.36Å; V61-Y77 HydrophobicContact CG1-CD1 3.8Å; V61-Y77 HydrophobicContact CG1-CD2 3.1Å; V61-Y77 HydrophobicContact CG1-CE1 4.24Å; V61-Y77 HydrophobicContact CG1-CE2 3.57Å; V61-Y77 HydrophobicContact CG1-CG 3.21Å; V61-Y77 HydrophobicContact CG2-CD2 4.4Å; V61-Y77 HydrophobicContact CG2-CE2 4.17Å; R62-Y77 WeakPolarHBondContact O-CB 3.42Å; Y77-I79 HydrophobicContact CD2-CG1 3.94Å; Y77-I79 HydrophobicContact CE2-CD1 3.98Å; Y77-I79 HydrophobicContact CE2-CG1 3.84Å; Y77-E526 HydrophobicContact CE2-CB 4.18Å; Y77-E526 HydrophobicContact CE2-CG 4.19Å; Y77-N529 PolarHBondContact OH-ND2 3.03Å; Y77-I665 HydrophobicContact CD1-CB 4.47Å; Y77-I665 HydrophobicContact CD1-CD1 4.31Å; Y77-I665 HydrophobicContact CD1-CG2 3.96Å; Y77-I665 HydrophobicContact CG-CD1 4.39Å
78	E	79.5	Confident	67	Low	107 Å²	107	80.1 Å²	80.1	50%	0.5	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.5	174.2	-171.3	178.3	-174.5	0	0	110.3	V61 R62 F64	V61-E78 WeakPolarHBondContact CA-O 3.34Å; R62-E78 PolarHBondContact N-O 2.86Å; R62-E78 PolarHBondContact O-N 3.36Å; F64-E78 HydrophobicContact CE1-CB 4Å; F64-E78 HydrophobicContact CZ-CB 3.89Å
79	I	80.8	Confident	69.4	Low	45 Å²	45	74.9 Å²	74.9	23%	0.231	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.9	170.6	-50.2	-177	0	0	0	107.8	Y77 E526	Y77-I79 HydrophobicContact CD2-CG1 3.94Å; Y77-I79 HydrophobicContact CE2-CD1 3.98Å; Y77-I79 HydrophobicContact CE2-CG1 3.84Å; I79-E526 HydrophobicContact CD1-CB 4.29Å
80	S	79.4	Confident	71.6	Confident	24 Å²	24	65 Å²	65	17%	0.168	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.3	175.3	66.4	0	0	0	0	109.7	K60 Q82	K60-S80 PolarHBondContact N-O 3.48Å; K60-S80 PolarHBondContact O-N 3.19Å; K60-S80 PolarHBondContact O-OG 3.19Å; S80-Q82 PolarHBondContact OG-NE2 3.26Å
81	V	80.3	Confident	73.9	Confident	77 Å²	77	55.8 Å²	55.8	47%	0.467	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.6	169.6	-177.5	0	0	0	0	107.7	K57 V58 P518	K57-V81 HydrophobicContact CB-CG1 3.68Å; K57-V81 HydrophobicContact CD-CG1 3.75Å; K57-V81 HydrophobicContact CG-CG1 4.04Å; V58-V81 WeakPolarHBondContact O-CA 3.25Å; V81-P518 HydrophobicContact CG1-CG 4.41Å
82	Q	80.8	Confident	76.1	Confident	45 Å²	45	51.4 Å²	51.4	21%	0.21	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.4	179.2	-64.5	177.6	26.1	0	0	109.5	K57 V58 S80	K57-Q82 CarbonylContact C-O 3.55Å; K57-Q82 WeakPolarHBondContact CA-O 3.43Å; V58-Q82 PolarHBondContact N-O 3.22Å; V58-Q82 PolarHBondContact O-N 3.45Å; S80-Q82 PolarHBondContact OG-NE2 3.26Å
83	E	81.4	Confident	78	Confident	131 Å²	131	46.4 Å²	46.4	61%	0.612	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.4	169.3	-68.2	-174.9	167.4	0	0	108.6
84	E	80.3	Confident	79.6	Confident	48 Å²	48	44 Å²	44	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.4	173.2	-66.6	-161.4	159.6	0	0	110.3	Q55 H56 V58 K60	Q55-E84 WeakPolarHBondContact CA-O 3.48Å; H56-E84 PolarHBondContact N-O 3.33Å; H56-E84 PolarHBondContact ND1-O 3.07Å; H56-E84 VanDerWaalsContact ND1-O 3.09Å; H56-E84 PolarHBondContact O-N 3.39Å; V58-E84 HydrophobicContact CB-CG 4.19Å; V58-E84 HydrophobicContact CG2-CB 3.96Å; V58-E84 HydrophobicContact CG2-CG 3.9Å; V58-E84 WeakPolarHBondContact CG2-OE2 3.22Å; K60-E84 WeakPolarHBondContact CE-OE1 3.41Å; K60-E84 IonicContact NZ-OE1 2.92Å; K60-E84 PolarHBondContact NZ-OE1 3.09Å
85	V	80.1	Confident	80.5	Confident	82 Å²	82	40.3 Å²	40.3	50%	0.497	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.2	-179.6	-179.6	0	0	0	0	107.9	T53 Q55	T53-V85 HydrophobicContact CG2-CG1 3.54Å; Q55-V85 HydrophobicContact CG-CG2 4.12Å
86	T	78.3	Confident	81.2	Confident	18 Å²	18	35.3 Å²	35.3	11%	0.11	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.8	174	42	0	0	0	0	110.8	T53 V54 H56	T53-T86 CarbonylContact C-O 3.56Å; T53-T86 WeakPolarHBondContact CA-O 3.49Å; V54-T86 PolarHBondContact N-O 3.27Å; V54-T86 PolarHBondContact O-N 2.8Å; V54-T86 PolarHBondContact O-OG1 3.07Å; H56-T86 WeakPolarHBondContact CE1-CG2 3.36Å; H56-T86 PolarHBondContact ND1-OG1 2.63Å
87	A	82.5	Confident	81.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.1	171.5	0	0	0	0	0	109.5	Y51 R412	Y51-A87 HydrophobicContact CD2-CB 4.36Å; Y51-A87 HydrophobicContact CE2-CB 3.33Å; Y51-A87 VanDerWaalsContact OH-CB 3.27Å; Y51-A87 WeakPolarHBondContact OH-CB 3.3Å; A87-R412 HydrophobicContact CB-CB 3.65Å; A87-R412 HydrophobicContact CB-CG 4.37Å; A87-R412 WeakPolarHBondContact O-CB 3.5Å; A87-R412 PolarHBondContact O-N 2.86Å
88	R	87.3	Confident	81.6	Confident	24 Å²	24	41.3 Å²	41.3	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.6	173.3	-173.8	170.1	-71.5	-175.6	6.1	110.9	Y51 S52 V54 H90 N380 E409 M410 D411	Y51-R88 WeakPolarHBondContact CA-O 3.46Å; S52-R88 PolarHBondContact N-O 3.15Å; S52-R88 PolarHBondContact O-N 2.75Å; V54-R88 HydrophobicContact CG2-CB 3.78Å; R88-H90 WeakPolarHBondContact CD-CE1 3.37Å; R88-H90 WeakPolarHBondContact CG-NE2 3.49Å; R88-N380 PolarHBondContact NH2-ND2 3.27Å; R88-N380 VanDerWaalsContact NH2-ND2 3.11Å; R88-E409 IonicContact CZ-OE2 2.65Å; R88-E409 IonicContact NE-OE2 3.62Å; R88-E409 IonicContact NH1-OE2 2.66Å; R88-E409 PolarHBondContact NH1-OE2 2.84Å; R88-M410 WeakPolarHBondContact CA-O 3.38Å; R88-D411 IonicContact CZ-OD1 3.03Å; R88-D411 IonicContact CZ-OD2 2.89Å; R88-D411 IonicContact NE-OD1 3.57Å; R88-D411 PolarHBondContact NE-OD1 3.39Å; R88-D411 IonicContact NE-OD2 3.23Å; R88-D411 VanDerWaalsContact NH2-CG 3.31Å; R88-D411 IonicContact NH2-OD1 2.88Å; R88-D411 PolarHBondContact NH2-OD1 2.83Å; R88-D411 IonicContact NH2-OD2 2.83Å; R88-D411 PolarHBondContact NH2-OD2 3.27Å
89	L	88.4	Confident	81.8	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.1	168	-62.6	173.8	0	0	0	109.4	Y51 F91 F155 F363 W377 E409 M410	Y51-L89 HydrophobicContact CD2-CD2 4.01Å; L89-F91 HydrophobicContact CB-CE2 3.63Å; L89-F91 HydrophobicContact CB-CZ 3.81Å; L89-F91 HydrophobicContact CD1-CE2 4.41Å; L89-F91 HydrophobicContact CD1-CZ 4.09Å; L89-F91 HydrophobicContact CG-CZ 4.43Å; L89-F155 HydrophobicContact CD1-CZ 4.02Å; L89-F363 HydrophobicContact CD1-CE1 4.41Å; L89-F363 HydrophobicContact CD2-CD1 3.85Å; L89-F363 HydrophobicContact CD2-CE1 3.2Å; L89-F363 HydrophobicContact CD2-CE2 4.11Å; L89-F363 HydrophobicContact CD2-CZ 3.38Å; L89-F363 HydrophobicContact CG-CE1 4.43Å; L89-W377 HydrophobicContact CB-CZ3 4.33Å; L89-W377 HydrophobicContact CD1-CD2 3.98Å; L89-W377 HydrophobicContact CD1-CE3 3.7Å; L89-W377 HydrophobicContact CD1-CH2 3.66Å; L89-W377 HydrophobicContact CD1-CZ2 3.93Å; L89-W377 HydrophobicContact CD1-CZ3 3.56Å; L89-W377 HydrophobicContact CD2-CH2 4.16Å; L89-W377 HydrophobicContact CD2-CZ3 4.36Å; L89-W377 HydrophobicContact CG-CE3 3.98Å; L89-W377 HydrophobicContact CG-CH2 3.63Å; L89-W377 HydrophobicContact CG-CZ2 4.38Å; L89-W377 HydrophobicContact CG-CZ3 3.4Å; L89-W377 VanDerWaalsContact CG-CZ3 3.4Å; L89-E409 CarbonylContact O-C 3.48Å; L89-E409 WeakPolarHBondContact O-CA 3.19Å; L89-M410 HydrophobicContact CB-CB 4.36Å; L89-M410 PolarHBondContact N-O 3.34Å; L89-M410 PolarHBondContact O-N 3.23Å
90	H	87.8	Confident	82.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.1	177.4	-56.7	-93.1	0	0	0	108.7	N30 A49 Y50 S52 R88 M407 L408 E409	N30-H90 VanDerWaalsContact CB-CE1 3.47Å; N30-H90 WeakPolarHBondContact CB-CE1 3.44Å; N30-H90 PolarHBondContact ND2-CE1 3.32Å; N30-H90 VanDerWaalsContact ND2-CE1 3.32Å; A49-H90 CarbonylContact C-O 3.6Å; A49-H90 VanDerWaalsContact CA-O 3.31Å; A49-H90 WeakPolarHBondContact CA-O 3.44Å; Y50-H90 HydrophobicContact CD1-CB 3.79Å; Y50-H90 HydrophobicContact CD2-CB 4.14Å; Y50-H90 AromaticContact CD2-CD2 3.74Å; Y50-H90 HydrophobicContact CE1-CB 3.32Å; Y50-H90 AromaticContact CE1-CG 3.98Å; Y50-H90 HydrophobicContact CE2-CB 3.7Å; Y50-H90 AromaticContact CE2-CD2 3.19Å; Y50-H90 WeakPolarHBondContact CE2-CD2 3.44Å; Y50-H90 AromaticContact CE2-CG 3.47Å; Y50-H90 VanDerWaalsContact CE2-CG 3.47Å; Y50-H90 AromaticContact CE2-NE2 3.91Å; Y50-H90 HydrophobicContact CG-CB 4.17Å; Y50-H90 AromaticContact CZ-CD2 3.62Å; Y50-H90 AromaticContact CZ-CG 3.34Å; Y50-H90 PolarHBondContact N-O 3.43Å; Y50-H90 PolarHBondContact O-N 3.43Å; S52-H90 PolarHBondContact OG-NE2 3.5Å; R88-H90 WeakPolarHBondContact CD-CE1 3.37Å; R88-H90 WeakPolarHBondContact CG-NE2 3.49Å; H90-M407 HydrophobicContact CB-SD 4.13Å; H90-L408 WeakPolarHBondContact CA-O 3.34Å; H90-E409 IonicContact CE1-OE1 3.22Å; H90-E409 PolarHBondContact CE1-OE1 2.89Å; H90-E409 IonicContact ND1-OE1 3.7Å; H90-E409 PolarHBondContact ND1-OE1 2.83Å
91	F	87.7	Confident	82.2	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.1	176.6	-54.4	-81.2	0	0	0	109.3	L48 A49 L89 Y356 I360 M407 L408 M410	L48-F91 CarbonylContact O-C 3.6Å; L48-F91 WeakPolarHBondContact O-CA 3.4Å; A49-F91 HydrophobicContact CB-CD1 3.51Å; A49-F91 HydrophobicContact CB-CE1 3.52Å; L89-F91 HydrophobicContact CB-CE2 3.63Å; L89-F91 HydrophobicContact CB-CZ 3.81Å; L89-F91 HydrophobicContact CD1-CE2 4.41Å; L89-F91 HydrophobicContact CD1-CZ 4.09Å; L89-F91 HydrophobicContact CG-CZ 4.43Å; F91-Y356 HydrophobicContact CB-CD1 3.54Å; F91-Y356 HydrophobicContact CB-CE1 3.88Å; F91-Y356 HydrophobicContact CB-CG 4Å; F91-Y356 WeakPolarHBondContact O-CE1 3.42Å; F91-I360 HydrophobicContact CD1-CG1 3.62Å; F91-I360 HydrophobicContact CD2-CG1 4.5Å; F91-I360 HydrophobicContact CE1-CB 4.05Å; F91-I360 HydrophobicContact CE1-CD1 4.47Å; F91-I360 HydrophobicContact CE1-CG1 3.29Å; F91-I360 HydrophobicContact CE2-CG1 4.2Å; F91-I360 HydrophobicContact CG-CG1 4.23Å; F91-I360 HydrophobicContact CZ-CB 4.4Å; F91-I360 HydrophobicContact CZ-CG1 3.61Å; F91-I360 HydrophobicContact CZ-CG2 4.48Å; F91-M407 CarbonylContact O-C 3.34Å; F91-M407 WeakPolarHBondContact O-CA 3.43Å; F91-L408 HydrophobicContact CB-CB 4.2Å; F91-L408 HydrophobicContact CD2-CB 4.21Å; F91-L408 HydrophobicContact CD2-CD2 3.75Å; F91-L408 HydrophobicContact CD2-CG 3.87Å; F91-L408 HydrophobicContact CE2-CD2 4.3Å; F91-L408 HydrophobicContact CG-CD2 4.49Å; F91-L408 PolarHBondContact N-O 3.38Å; F91-L408 PolarHBondContact O-N 2.95Å; F91-M410 HydrophobicContact CE2-SD 4.15Å
92	I	84.5	Confident	82.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.7	-178.2	-55.1	177.3	0	0	0	108.8	I27 F28 K47 L48 Y50 F94 F405 D406 M407	I27-I92 HydrophobicContact CG2-CD1 4.04Å; F28-I92 HydrophobicContact CD1-CD1 3.67Å; F28-I92 HydrophobicContact CE1-CD1 3.33Å; F28-I92 HydrophobicContact CZ-CD1 4.17Å; K47-I92 CarbonylContact C-O 3.6Å; K47-I92 WeakPolarHBondContact CA-O 3.28Å; L48-I92 PolarHBondContact N-O 3.3Å; L48-I92 PolarHBondContact O-N 2.79Å; Y50-I92 HydrophobicContact CE1-CD1 3.69Å; Y50-I92 HydrophobicContact CE1-CG1 4.23Å; I92-F94 HydrophobicContact CG2-CD1 4.15Å; I92-F405 HydrophobicContact CG2-CD1 3.86Å; I92-D406 WeakPolarHBondContact CA-O 3.44Å; I92-M407 HydrophobicContact CD1-CE 3.64Å; I92-M407 HydrophobicContact CD1-SD 4.32Å; I92-M407 HydrophobicContact CG1-CE 3.47Å; I92-M407 VanDerWaalsContact CG1-CE 3.47Å; I92-M407 HydrophobicContact CG1-SD 3.53Å; I92-M407 VanDerWaalsContact CG1-SD 3.53Å
93	K	80.8	Confident	82.4	Confident	7 Å²	7	35 Å²	35	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.3	175.7	169	178.7	160.4	-163.8	0	110.7	L45 K47 R325 Y356 F405 D406	L45-K93 HydrophobicContact CD1-CD 4.31Å; L45-K93 VanDerWaalsContact CD1-CE 3.41Å; L45-K93 HydrophobicContact CD1-CG 4.27Å; K47-K93 HydrophobicContact CG-CB 3.9Å; K47-K93 HydrophobicContact CG-CD 4.45Å; K47-K93 HydrophobicContact CG-CG 4.02Å; K93-R325 VanDerWaalsContact CE-CZ 3.42Å; K93-Y356 HydrophobicContact CB-CD1 4.47Å; K93-Y356 HydrophobicContact CB-CE1 3.61Å; K93-F405 WeakPolarHBondContact O-CA 3.38Å; K93-D406 PolarHBondContact N-O 3.11Å; K93-D406 VanDerWaalsContact N-O 3.12Å; K93-D406 IonicContact NZ-OD2 3.96Å; K93-D406 PolarHBondContact O-N 2.76Å
94	F	78.4	Confident	82.4	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166	-178	58	-91.4	0	0	0	112.5	L45 T46 L48 I92 C102 F405	L45-F94 WeakPolarHBondContact CA-O 3.33Å; T46-F94 HydrophobicContact CG2-CE1 4.05Å; T46-F94 HydrophobicContact CG2-CE2 3.71Å; T46-F94 HydrophobicContact CG2-CZ 3.36Å; T46-F94 PolarHBondContact N-O 3.09Å; T46-F94 PolarHBondContact O-N 3.04Å; T46-F94 VanDerWaalsContact O-O 3.08Å; L48-F94 HydrophobicContact CB-CE1 4.11Å; I92-F94 HydrophobicContact CG2-CD1 4.15Å; F94-C102 HydrophobicContact CE1-CB 4.27Å; F94-C102 HydrophobicContact CE2-CB 3.91Å; F94-C102 HydrophobicContact CZ-CB 3.59Å; F94-C102 WeakPolarHBondContact CZ-SG 3.46Å; F94-F405 HydrophobicContact CB-CD1 3.83Å; F94-F405 HydrophobicContact CB-CE1 3.61Å; F94-F405 HydrophobicContact CD1-CE1 4.47Å; F94-F405 HydrophobicContact CG-CE1 4.2Å
95	E	77	Confident	82.2	Confident	90 Å²	90	31 Å²	31	42%	0.421	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	144.4	179.5	-57.8	-175.1	163.3	0	0	112.7	L45 A97 Y98	L45-E95 HydrophobicContact CD2-CB 4.32Å; L45-E95 HydrophobicContact CD2-CG 4Å; E95-A97 PolarHBondContact O-N 3.11Å; E95-Y98 HydrophobicContact CB-CD2 3.84Å; E95-Y98 HydrophobicContact CB-CE2 3.99Å; E95-Y98 HydrophobicContact CG-CE2 4.41Å; E95-Y98 PolarHBondContact O-N 2.82Å
96	N	78.3	Confident	82.1	Confident	27 Å²	27	27.1 Å²	27.1	14%	0.144	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-56	-23.7	-179.8	-78.1	-6.4	0	0	0	113.9	G42 G43 S44 L45 T46 Y98 I99	G42-N96 PolarHBondContact O-ND2 3.05Å; G43-N96 VanDerWaalsContact C-ND2 3.34Å; G43-N96 PolarHBondContact O-ND2 3.13Å; S44-N96 VanDerWaalsContact C-ND2 3.3Å; S44-N96 PolarHBondContact N-ND2 3.12Å; S44-N96 PolarHBondContact O-N 3.35Å; S44-N96 VanDerWaalsContact O-N 3.15Å; L45-N96 VanDerWaalsContact CA-OD1 3.31Å; L45-N96 WeakPolarHBondContact CA-OD1 3.44Å; L45-N96 PolarHBondContact N-OD1 2.98Å; L45-N96 PolarHBondContact O-OD1 3.38Å; T46-N96 PolarHBondContact N-OD1 2.77Å; T46-N96 PolarHBondContact OG1-OD1 3.07Å; N96-Y98 PolarHBondContact O-N 3.26Å; N96-I99 WeakPolarHBondContact O-CB 3.47Å; N96-I99 WeakPolarHBondContact O-CG2 3.48Å; N96-I99 PolarHBondContact O-N 3.45Å
97	A	78.8	Confident	82.2	Confident	84 Å²	84	31.8 Å²	31.8	69%	0.694	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-59.8	-26.1	175	0	0	0	0	0	113.1	E95	E95-A97 PolarHBondContact O-N 3.11Å
98	Y	81.1	Confident	81.8	Confident	51 Å²	51	37.7 Å²	37.7	20%	0.2	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-94.5	4.4	-178.5	-57.3	-75.1	0	0	0	113.7	I20 E95 N96 E100 T101 C102 T404	I20-Y98 HydrophobicContact CD1-CE1 4.45Å; I20-Y98 HydrophobicContact CG2-CE1 4.25Å; E95-Y98 HydrophobicContact CB-CD2 3.84Å; E95-Y98 HydrophobicContact CB-CE2 3.99Å; E95-Y98 HydrophobicContact CG-CE2 4.41Å; E95-Y98 PolarHBondContact O-N 2.82Å; N96-Y98 PolarHBondContact O-N 3.26Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.86Å; Y98-T101 PolarHBondContact O-N 3.26Å; Y98-C102 WeakPolarHBondContact O-CB 3.4Å; Y98-C102 PolarHBondContact O-N 2.89Å; Y98-T404 HydrophobicContact CE2-CG2 4.12Å
99	I	83.9	Confident	81	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-41.2	-176.4	-166	172	0	0	0	112.3	I41 N96 C102 L103 F128 L131	I41-I99 HydrophobicContact CD1-CD1 3.83Å; I41-I99 HydrophobicContact CG1-CD1 4.33Å; I41-I99 HydrophobicContact CG2-CD1 4.32Å; N96-I99 WeakPolarHBondContact O-CB 3.47Å; N96-I99 WeakPolarHBondContact O-CG2 3.48Å; N96-I99 PolarHBondContact O-N 3.45Å; I99-C102 PolarHBondContact O-N 3.46Å; I99-L103 HydrophobicContact CG1-CD1 4.2Å; I99-L103 HydrophobicContact CG1-CG 4.38Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 2.75Å; I99-F128 HydrophobicContact CD1-CB 4.15Å; I99-F128 HydrophobicContact CD1-CD1 4.03Å; I99-F128 HydrophobicContact CD1-CD2 4.16Å; I99-F128 HydrophobicContact CD1-CE1 4.41Å; I99-F128 HydrophobicContact CD1-CG 3.86Å; I99-F128 HydrophobicContact CG2-CD1 4.3Å; I99-F128 HydrophobicContact CG2-CE1 3.97Å; I99-L131 HydrophobicContact CG2-CD2 4.3Å
100	E	86.3	Confident	80.1	Confident	99 Å²	99	40 Å²	40	46%	0.463	21%	0.21	S	C	.	.	H	α-helix	trans	-65	-44.4	179.7	-74.5	-161.8	-145.9	0	0	112.3	Y98 C102 L103 D104 L131 K135	Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.86Å; E100-C102 VanDerWaalsContact C-N 3.33Å; E100-L103 PolarHBondContact O-N 3.34Å; E100-D104 PolarHBondContact O-N 2.94Å; E100-L131 HydrophobicContact CG-CD1 4.15Å; E100-L131 HydrophobicContact CG-CD2 3.83Å; E100-K135 IonicContact OE2-NZ 3.92Å
101	T	81.5	Confident	78.6	Confident	57 Å²	57	44.3 Å²	44.3	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-40.7	176.7	-46.1	0	0	0	0	111.2	L22 Y98 D104 F105	L22-T101 HydrophobicContact CD1-CG2 3.82Å; L22-T101 HydrophobicContact CD2-CG2 4.36Å; L22-T101 HydrophobicContact CG-CG2 3.87Å; Y98-T101 PolarHBondContact O-N 3.26Å; T101-D104 PolarHBondContact O-N 3.43Å; T101-F105 WeakPolarHBondContact O-CB 3.4Å; T101-F105 PolarHBondContact O-N 2.89Å
102	C	80.9	Confident	77	Confident	4 Å²	4	52 Å²	52	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.1	-179	0	0	0	0	111.6	F94 Y98 I99 E100 F105 I106	F94-C102 HydrophobicContact CE1-CB 4.27Å; F94-C102 HydrophobicContact CE2-CB 3.91Å; F94-C102 HydrophobicContact CZ-CB 3.59Å; F94-C102 WeakPolarHBondContact CZ-SG 3.46Å; Y98-C102 WeakPolarHBondContact O-CB 3.4Å; Y98-C102 PolarHBondContact O-N 2.89Å; I99-C102 PolarHBondContact O-N 3.46Å; E100-C102 VanDerWaalsContact C-N 3.33Å; C102-F105 PolarHBondContact O-N 2.82Å; C102-I106 VanDerWaalsContact O-CG1 3.24Å; C102-I106 WeakPolarHBondContact O-CG1 3.29Å; C102-I106 PolarHBondContact O-N 3.32Å
103	L	84.8	Confident	75.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-38.6	177.1	-68.9	172.8	0	0	0	112.5	I99 E100 F105 I106 K107 L131 I132 K135 L136	I99-L103 HydrophobicContact CG1-CD1 4.2Å; I99-L103 HydrophobicContact CG1-CG 4.38Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 2.75Å; E100-L103 PolarHBondContact O-N 3.34Å; L103-F105 VanDerWaalsContact C-N 3.33Å; L103-I106 HydrophobicContact CD2-CD1 4.46Å; L103-I106 PolarHBondContact O-N 3.17Å; L103-K107 WeakPolarHBondContact O-CB 3.41Å; L103-K107 PolarHBondContact O-N 2.89Å; L103-L131 HydrophobicContact CD1-CD2 3.93Å; L103-L131 HydrophobicContact CD1-CG 3.81Å; L103-I132 HydrophobicContact CD1-CG1 3.98Å; L103-I132 HydrophobicContact CD2-CG1 4.1Å; L103-I132 HydrophobicContact CD2-CG2 4.37Å; L103-K135 HydrophobicContact CB-CB 4.19Å; L103-K135 HydrophobicContact CB-CD 3.73Å; L103-K135 HydrophobicContact CD1-CD 4.2Å; L103-L136 HydrophobicContact CB-CD2 4.34Å; L103-L136 HydrophobicContact CD2-CD1 3.83Å; L103-L136 HydrophobicContact CD2-CD2 4.16Å; L103-L136 HydrophobicContact CD2-CG 4Å; L103-L136 WeakPolarHBondContact O-CD2 3.35Å
104	D	82.8	Confident	74.3	Confident	64 Å²	64	62.6 Å²	62.6	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-44.5	172.8	-68.5	-35.1	0	0	0	110.5	E100 T101 I106 K107 D108 K135	E100-D104 PolarHBondContact O-N 2.94Å; T101-D104 PolarHBondContact O-N 3.43Å; D104-I106 PolarHBondContact O-N 3.09Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 3.05Å; D104-D108 PolarHBondContact O-N 3.5Å; D104-K135 IonicContact OD1-NZ 2.88Å; D104-K135 PolarHBondContact OD1-NZ 3.33Å; D104-K135 IonicContact OD2-NZ 2.6Å; D104-K135 PolarHBondContact OD2-NZ 2.92Å
105	F	74.5	Confident	73.5	Confident	30 Å²	30	65 Å²	65	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-43.3	177.1	-169.2	-88.3	0	0	0	112.5	L22 P24 F28 M31 T101 C102 L103 K107 D108 H109	L22-F105 HydrophobicContact CD1-CB 4.05Å; L22-F105 HydrophobicContact CD1-CD2 4.26Å; L22-F105 HydrophobicContact CD1-CG 4.17Å; P24-F105 HydrophobicContact CB-CE2 4.47Å; F28-F105 HydrophobicContact CB-CD1 4.43Å; F28-F105 HydrophobicContact CB-CE1 3.41Å; F28-F105 VanDerWaalsContact CB-CE1 3.41Å; F28-F105 HydrophobicContact CB-CE2 4.49Å; F28-F105 HydrophobicContact CB-CZ 3.44Å; F28-F105 VanDerWaalsContact CB-CZ 3.44Å; F28-F105 HydrophobicContact CD1-CD1 4.23Å; F28-F105 AromaticContact CD1-CE1 3.92Å; F28-F105 HydrophobicContact CD1-CE1 3.92Å; F28-F105 HydrophobicContact CD2-CE1 4.33Å; F28-F105 HydrophobicContact CD2-CZ 4.37Å; F28-F105 HydrophobicContact CG-CD1 4.21Å; F28-F105 AromaticContact CG-CE1 3.64Å; F28-F105 HydrophobicContact CG-CE1 3.64Å; F28-F105 AromaticContact CG-CZ 3.94Å; F28-F105 HydrophobicContact CG-CZ 3.94Å; M31-F105 HydrophobicContact CB-CE1 4.14Å; M31-F105 HydrophobicContact CE-CD1 3.43Å; M31-F105 VanDerWaalsContact CE-CD1 3.43Å; M31-F105 HydrophobicContact CE-CE1 3.63Å; M31-F105 HydrophobicContact SD-CD1 3.85Å; M31-F105 HydrophobicContact SD-CE1 3.75Å; T101-F105 WeakPolarHBondContact O-CB 3.4Å; T101-F105 PolarHBondContact O-N 2.89Å; C102-F105 PolarHBondContact O-N 2.82Å; L103-F105 VanDerWaalsContact C-N 3.33Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.69Å; F105-D108 PolarHBondContact O-N 3.32Å; F105-H109 AromaticContact CD1-ND1 3.84Å; F105-H109 AromaticContact CD2-CE1 3.79Å; F105-H109 AromaticContact CE1-CE1 3.77Å; F105-H109 AromaticContact CE1-ND1 3.61Å; F105-H109 AromaticContact CE2-CE1 3.32Å; F105-H109 WeakPolarHBondContact CE2-CE1 3.48Å; F105-H109 AromaticContact CE2-ND1 3.9Å; F105-H109 AromaticContact CZ-CE1 3.29Å; F105-H109 WeakPolarHBondContact CZ-CE1 3.27Å; F105-H109 AromaticContact CZ-ND1 3.65Å; F105-H109 AromaticContact CZ-NE2 3.7Å; F105-H109 PolarHBondContact O-N 2.82Å; F105-H109 PolarHBondContact O-ND1 3.19Å
106	I	78.5	Confident	73.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-41.7	174.2	-68.1	163	0	0	0	110.5	M31 F37 L48 C102 L103 D104 D108 H109 L110 L136	M31-I106 HydrophobicContact CE-CB 4.21Å; M31-I106 HydrophobicContact CE-CG1 3.65Å; F37-I106 HydrophobicContact CD1-CG2 4.33Å; F37-I106 HydrophobicContact CE1-CG1 4.33Å; F37-I106 HydrophobicContact CE1-CG2 4.15Å; F37-I106 HydrophobicContact CE2-CG2 4.34Å; F37-I106 HydrophobicContact CG-CG2 4.5Å; F37-I106 HydrophobicContact CZ-CG2 4.12Å; L48-I106 HydrophobicContact CD1-CD1 3.76Å; L48-I106 HydrophobicContact CD2-CD1 3.96Å; L48-I106 HydrophobicContact CD2-CG1 4.26Å; C102-I106 VanDerWaalsContact O-CG1 3.24Å; C102-I106 WeakPolarHBondContact O-CG1 3.29Å; C102-I106 PolarHBondContact O-N 3.32Å; L103-I106 HydrophobicContact CD2-CD1 4.46Å; L103-I106 PolarHBondContact O-N 3.17Å; D104-I106 PolarHBondContact O-N 3.09Å; I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 PolarHBondContact O-N 3.06Å; I106-H109 CarbonylContact O-C 3.5Å; I106-H109 PolarHBondContact O-N 3.12Å; I106-L110 HydrophobicContact CG2-CD1 3.61Å; I106-L110 HydrophobicContact CG2-CG 4.11Å; I106-L110 WeakPolarHBondContact O-CA 3.4Å; I106-L110 VanDerWaalsContact O-CB 3.23Å; I106-L110 WeakPolarHBondContact O-CB 3.49Å; I106-L110 PolarHBondContact O-N 3.34Å; I106-L136 HydrophobicContact CB-CD2 4.03Å; I106-L136 HydrophobicContact CG2-CD1 4.19Å; I106-L136 HydrophobicContact CG2-CD2 3.85Å
107	K	79.8	Confident	73.5	Confident	116 Å²	116	70.3 Å²	70.3	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-43.2	178.1	-173.7	-163	-176.4	-176.1	0	111.9	L103 D104 F105 H109 K135 L136	L103-K107 WeakPolarHBondContact O-CB 3.41Å; L103-K107 PolarHBondContact O-N 2.89Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 3.05Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.69Å; K107-H109 PolarHBondContact O-N 3.27Å; K107-K135 VanDerWaalsContact CD-O 3.24Å; K107-K135 WeakPolarHBondContact CD-O 3.36Å; K107-K135 WeakPolarHBondContact CE-O 3.33Å; K107-K135 WeakPolarHBondContact CG-O 3.38Å; K107-L136 HydrophobicContact CB-CD2 4.06Å
108	D	75.3	Confident	73.8	Confident	125 Å²	125	66.3 Å²	66.3	67%	0.668	34%	0.336	S	S	*	.	H	α-helix	trans	-67.8	-24.6	-179.2	-67.1	-17.6	0	0	0	112.4	D104 F105 I106	D104-D108 PolarHBondContact O-N 3.5Å; F105-D108 PolarHBondContact O-N 3.32Å; I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 PolarHBondContact O-N 3.06Å
109	H	70.7	Confident	74.3	Confident	39 Å²	39	65.7 Å²	65.7	18%	0.181	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	7.8	-176.9	-59.6	79.8	0	0	0	113.7	M31 F105 I106 K107 V111	M31-H109 HydrophobicContact CE-CB 4.37Å; F105-H109 AromaticContact CD1-ND1 3.84Å; F105-H109 AromaticContact CD2-CE1 3.79Å; F105-H109 AromaticContact CE1-CE1 3.77Å; F105-H109 AromaticContact CE1-ND1 3.61Å; F105-H109 AromaticContact CE2-CE1 3.32Å; F105-H109 WeakPolarHBondContact CE2-CE1 3.48Å; F105-H109 AromaticContact CE2-ND1 3.9Å; F105-H109 AromaticContact CZ-CE1 3.29Å; F105-H109 WeakPolarHBondContact CZ-CE1 3.27Å; F105-H109 AromaticContact CZ-ND1 3.65Å; F105-H109 AromaticContact CZ-NE2 3.7Å; F105-H109 PolarHBondContact O-N 2.82Å; F105-H109 PolarHBondContact O-ND1 3.19Å; I106-H109 CarbonylContact O-C 3.5Å; I106-H109 PolarHBondContact O-N 3.12Å; K107-H109 PolarHBondContact O-N 3.27Å; H109-V111 VanDerWaalsContact C-N 3.31Å; H109-V111 PolarHBondContact O-N 3.02Å
110	L	68.4	Low	74.6	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.188	33%	0.333	C	S	.	.			trans	-74.9	84.4	178.7	-119.8	156	0	0	0	109	F37 I106 N112 T113 L136 L138	F37-L110 HydrophobicContact CE2-CD2 4.32Å; F37-L110 HydrophobicContact CE2-CG 4.12Å; I106-L110 HydrophobicContact CG2-CD1 3.61Å; I106-L110 HydrophobicContact CG2-CG 4.11Å; I106-L110 WeakPolarHBondContact O-CA 3.4Å; I106-L110 VanDerWaalsContact O-CB 3.23Å; I106-L110 WeakPolarHBondContact O-CB 3.49Å; I106-L110 PolarHBondContact O-N 3.34Å; L110-N112 PolarHBondContact O-N 3.23Å; L110-T113 HydrophobicContact CD2-CG2 3.62Å; L110-T113 VanDerWaalsContact CD2-OG1 3.26Å; L110-T113 WeakPolarHBondContact CD2-OG1 3.3Å; L110-L136 HydrophobicContact CD1-CB 4.32Å; L110-L136 HydrophobicContact CD1-CD2 4.13Å; L110-L138 HydrophobicContact CD1-CD1 3.99Å; L110-L138 HydrophobicContact CD2-CD1 4.28Å
111	V	56.9	Low	74.9	Confident	89 Å²	89	60.7 Å²	60.7	54%	0.539	31%	0.311	S	S	.	.			trans	-78	105.9	179.7	-177.3	0	0	0	0	109.6	E32 H109 T113	E32-V111 WeakPolarHBondContact O-CG2 3.17Å; H109-V111 VanDerWaalsContact C-N 3.31Å; H109-V111 PolarHBondContact O-N 3.02Å; V111-T113 VanDerWaalsContact C-N 3.34Å; V111-T113 PolarHBondContact O-N 3.25Å
112	N	54.1	Low	75.2	Confident	162 Å²	162	58.3 Å²	58.3	87%	0.866	30%	0.298	S	S	*	.			trans	39.4	54.1	160.8	-119	10.6	0	0	0	114.7	L110 E114	L110-N112 PolarHBondContact O-N 3.23Å; N112-E114 PolarHBondContact O-N 3.18Å
113	T	54.4	Low	75.2	Confident	35 Å²	35	60.6 Å²	60.6	22%	0.215	32%	0.322	C	S	.	.			trans	-71.2	117.5	175.4	47.7	0	0	0	0	109.8	K35 L110 V111 T115	K35-T113 WeakPolarHBondContact O-CG2 3.38Å; L110-T113 HydrophobicContact CD2-CG2 3.62Å; L110-T113 VanDerWaalsContact CD2-OG1 3.26Å; L110-T113 WeakPolarHBondContact CD2-OG1 3.3Å; V111-T113 VanDerWaalsContact C-N 3.34Å; V111-T113 PolarHBondContact O-N 3.25Å; T113-T115 PolarHBondContact O-N 3.05Å; T113-T115 PolarHBondContact OG1-O 2.81Å
114	E	53.7	Low	75.1	Confident	196 Å²	196	61 Å²	61	92%	0.916	33%	0.326	S	S	*	.	S	Bend	trans	-56.6	-26.4	167	-66.8	-173.8	165.6	0	0	111	N112 K116	N112-E114 PolarHBondContact O-N 3.18Å; E114-K116 PolarHBondContact O-N 3.46Å
115	T	60.9	Low	75.3	Confident	55 Å²	55	58 Å²	58	34%	0.337	31%	0.31	S	S	.	.			trans	-77	114.6	175.6	47.2	0	0	0	0	111.7	T113 V117	T113-T115 PolarHBondContact O-N 3.05Å; T113-T115 PolarHBondContact OG1-O 2.81Å; T115-V117 PolarHBondContact O-N 2.8Å
116	K	72.4	Confident	75.7	Confident	165 Å²	165	62.5 Å²	62.5	72%	0.717	33%	0.331	S	S	*	.			trans	-85.1	18.7	173.2	-63.3	-172.4	178.8	-178.7	0	113.3	E114 K139	E114-K116 PolarHBondContact O-N 3.46Å; K116-K139 PolarHBondContact O-N 2.93Å
117	V	83.1	Confident	76.1	Confident	62 Å²	62	70.4 Å²	70.4	38%	0.376	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.1	-167.8	179.6	0	0	0	0	110.1	T115 K139 D141	T115-V117 PolarHBondContact O-N 2.8Å; V117-K139 CarbonylContact C-O 3.47Å; V117-K139 VanDerWaalsContact CA-O 3.26Å; V117-K139 WeakPolarHBondContact CA-O 3.47Å; V117-K139 HydrophobicContact CG2-CB 4.4Å; V117-D141 HydrophobicContact CG1-CB 3.22Å
118	I	86.1	Confident	76.4	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.6	168.6	-174.2	168.9	0	0	0	109.3	F37 I132 L136 L138 K139 V140 D141	F37-I118 HydrophobicContact CB-CD1 4.14Å; F37-I118 HydrophobicContact CB-CG1 4.36Å; I118-I132 HydrophobicContact CG2-CG2 3.75Å; I118-L136 HydrophobicContact CD1-CD1 3.85Å; I118-L138 HydrophobicContact CB-CB 4.49Å; I118-L138 HydrophobicContact CB-CD1 4.14Å; I118-L138 HydrophobicContact CG2-CB 4.24Å; I118-K139 PolarHBondContact N-O 2.93Å; I118-V140 HydrophobicContact CG2-CG2 3.94Å; I118-D141 PolarHBondContact O-N 3.19Å
119	K	90.6	Very high	77.2	Confident	38 Å²	38	64.8 Å²	64.8	17%	0.165	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.9	174.7	-65	-65.5	-169	172.2	0	109	A38 I39 D141 E143 A362	A38-K119 CarbonylContact C-O 3.59Å; A38-K119 WeakPolarHBondContact CA-O 3.39Å; A38-K119 HydrophobicContact CB-CB 4Å; I39-K119 PolarHBondContact N-O 2.79Å; K119-D141 CarbonylContact C-O 3.32Å; K119-D141 WeakPolarHBondContact CA-O 3.23Å; K119-D141 HydrophobicContact CD-CB 4.17Å; K119-D141 IonicContact NZ-OD2 2.68Å; K119-D141 PolarHBondContact NZ-OD2 3.2Å; K119-E143 HydrophobicContact CD-CG 4.02Å; K119-E143 WeakPolarHBondContact CD-OE1 3.45Å; K119-E143 WeakPolarHBondContact CE-OE1 3.16Å; K119-E143 IonicContact NZ-OE1 3.68Å; K119-E143 PolarHBondContact NZ-OE1 3.45Å; K119-A362 WeakPolarHBondContact CB-O 3.3Å
120	A	91.8	Very high	78.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.6	178.2	0	0	0	0	0	111.5	I39 A125 V140 D141 K142 E143	I39-A120 HydrophobicContact CG2-CB 3.63Å; I39-A120 CarbonylContact O-C 3.37Å; I39-A120 VanDerWaalsContact O-CA 3.24Å; I39-A120 WeakPolarHBondContact O-CA 3.45Å; A120-A125 HydrophobicContact CB-CB 3.77Å; A120-V140 HydrophobicContact CB-CG1 3.66Å; A120-D141 PolarHBondContact N-O 3.35Å; A120-K142 CarbonylContact O-C 3.56Å; A120-K142 WeakPolarHBondContact O-CA 3.32Å; A120-E143 PolarHBondContact O-N 2.9Å
121	T	92.1	Very high	79.1	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	177.3	174.5	-160.2	0	0	0	0	111.8	I39 D40 I41 E143 E145 C148 A362	I39-T121 PolarHBondContact O-N 2.94Å; D40-T121 HydrophobicContact CB-CG2 3.79Å; I41-T121 PolarHBondContact N-O 3.09Å; T121-E143 PolarHBondContact OG1-O 3.47Å; T121-E145 WeakPolarHBondContact OG1-CA 3.14Å; T121-E145 PolarHBondContact OG1-N 3.27Å; T121-C148 HydrophobicContact CG2-CB 4.09Å; T121-A362 HydrophobicContact CG2-CB 3.97Å
122	G	86.8	Confident	80.6	Confident	7 Å²	7	65.3 Å²	65.3	7%	0.072	33%	0.331	C	S	.	.	S	Bend	trans	78.1	162.1	-173.6	0	0	0	0	0	113.3	I41 G124 A125	I41-G122 CarbonylContact O-C 3.49Å; G122-G124 PolarHBondContact O-N 3.37Å; G122-G124 VanDerWaalsContact O-N 3.14Å; G122-A125 VanDerWaalsContact O-CB 3.27Å; G122-A125 WeakPolarHBondContact O-CB 3.4Å; G122-A125 PolarHBondContact O-N 3.33Å
123	G	81.6	Confident	82.3	Confident	52 Å²	52	60.5 Å²	60.5	54%	0.536	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28	-178.2	0	0	0	0	0	114.3	A125 H126	G123-A125 VanDerWaalsContact C-N 3.28Å; G123-A125 PolarHBondContact O-N 2.96Å; G123-H126 PolarHBondContact O-N 2.82Å
124	G	83.1	Confident	84.1	Confident	8 Å²	8	67.2 Å²	67.2	8%	0.082	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-20.2	176.6	0	0	0	0	0	114.1	I41 G122 H126 K127 F128	I41-G124 VanDerWaalsContact O-CA 3.26Å; I41-G124 WeakPolarHBondContact O-CA 3.43Å; I41-G124 PolarHBondContact O-N 3.46Å; G122-G124 PolarHBondContact O-N 3.37Å; G122-G124 VanDerWaalsContact O-N 3.14Å; G124-H126 PolarHBondContact O-N 2.7Å; G124-H126 VanDerWaalsContact O-N 3.17Å; G124-K127 PolarHBondContact O-N 3.07Å; G124-F128 WeakPolarHBondContact O-CD2 3.3Å; G124-F128 PolarHBondContact O-N 3.41Å
125	A	86.2	Confident	85.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-27.9	173.7	0	0	0	0	0	112.2	A120 G122 G123 K129 K142	A120-A125 HydrophobicContact CB-CB 3.77Å; G122-A125 VanDerWaalsContact O-CB 3.27Å; G122-A125 WeakPolarHBondContact O-CB 3.4Å; G122-A125 PolarHBondContact O-N 3.33Å; G123-A125 VanDerWaalsContact C-N 3.28Å; G123-A125 PolarHBondContact O-N 2.96Å; A125-K129 WeakPolarHBondContact O-CB 3.07Å; A125-K142 HydrophobicContact CB-CG 4.09Å
126	H	83.8	Confident	86.8	Confident	125 Å²	125	57.7 Å²	57.7	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-75	-49.4	170.5	-75.5	-86.2	0	0	0	112.3	G123 G124 F128 K142	G123-H126 PolarHBondContact O-N 2.82Å; G124-H126 PolarHBondContact O-N 2.7Å; G124-H126 VanDerWaalsContact O-N 3.17Å; H126-F128 PolarHBondContact O-N 3.09Å; H126-K142 PolarHBondContact CE1-NZ 3.18Å; H126-K142 WeakPolarHBondContact NE2-CD 3.15Å; H126-K142 PolarHBondContact NE2-NZ 3.17Å
127	K	86.6	Confident	87.4	Confident	167 Å²	167	53 Å²	53	73%	0.726	28%	0.275	S	S	*	.	H	α-helix	trans	-64.1	-40.5	-174.2	179.8	-180	174	-175.8	0	112.6	G124	G124-K127 PolarHBondContact O-N 3.07Å
128	F	86.8	Confident	87.4	Confident	31 Å²	31	50.9 Å²	50.9	14%	0.136	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	6.1	-173.7	-64.4	-79.8	0	0	0	113.2	I41 I99 G124 H126 E130 L131 I132	I41-F128 HydrophobicContact CD1-CB 4.05Å; I41-F128 HydrophobicContact CD1-CD2 4.33Å; I41-F128 HydrophobicContact CG2-CD2 3.66Å; I41-F128 HydrophobicContact CG2-CE2 3.82Å; I99-F128 HydrophobicContact CD1-CB 4.15Å; I99-F128 HydrophobicContact CD1-CD1 4.03Å; I99-F128 HydrophobicContact CD1-CD2 4.16Å; I99-F128 HydrophobicContact CD1-CE1 4.41Å; I99-F128 HydrophobicContact CD1-CG 3.86Å; I99-F128 HydrophobicContact CG2-CD1 4.3Å; I99-F128 HydrophobicContact CG2-CE1 3.97Å; G124-F128 WeakPolarHBondContact O-CD2 3.3Å; G124-F128 PolarHBondContact O-N 3.41Å; H126-F128 PolarHBondContact O-N 3.09Å; F128-E130 PolarHBondContact O-N 3.4Å; F128-L131 HydrophobicContact CD1-CD2 3.78Å; F128-L131 HydrophobicContact CE1-CD2 4.48Å; F128-L131 WeakPolarHBondContact O-CB 3.31Å; F128-L131 PolarHBondContact O-N 2.96Å; F128-L131 VanDerWaalsContact O-N 3.14Å; F128-I132 HydrophobicContact CB-CD1 4.2Å; F128-I132 HydrophobicContact CB-CG1 4.48Å; F128-I132 VanDerWaalsContact O-CG1 3.28Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 2.99Å
129	K	90.6	Very high	87.5	Confident	92 Å²	92	58.1 Å²	58.1	40%	0.4	29%	0.293	S	S	.	.	H	α-helix	trans	-49	-58.7	-178.9	-179.1	173.9	177.5	-178.8	0	112.3	A125 L131 I132 E133 V140	A125-K129 WeakPolarHBondContact O-CB 3.07Å; K129-L131 VanDerWaalsContact C-N 3.26Å; K129-L131 PolarHBondContact O-N 3.03Å; K129-I132 PolarHBondContact O-N 3.48Å; K129-E133 WeakPolarHBondContact CE-OE1 3.11Å; K129-E133 HydrophobicContact CG-CG 4.34Å; K129-E133 IonicContact NZ-OE1 2.66Å; K129-E133 WeakPolarHBondContact O-CG 3.45Å; K129-E133 PolarHBondContact O-N 2.75Å; K129-V140 HydrophobicContact CG-CB 4.08Å; K129-V140 HydrophobicContact CG-CG2 4.27Å
130	E	90.4	Very high	87.4	Confident	156 Å²	156	57 Å²	57	73%	0.729	29%	0.29	S	S	*	.	H	α-helix	trans	-61.9	-34.7	-176.7	-64.5	-179.9	-177.9	0	0	112.5	F128 R134	F128-E130 PolarHBondContact O-N 3.4Å; E130-R134 WeakPolarHBondContact O-CB 3.45Å; E130-R134 PolarHBondContact O-N 3.21Å
131	L	89.3	Confident	87.3	Confident	18 Å²	18	60.1 Å²	60.1	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-47	176.9	175.1	67.5	0	0	0	111.1	I99 E100 L103 F128 K129 R134 K135	I99-L131 HydrophobicContact CG2-CD2 4.3Å; E100-L131 HydrophobicContact CG-CD1 4.15Å; E100-L131 HydrophobicContact CG-CD2 3.83Å; L103-L131 HydrophobicContact CD1-CD2 3.93Å; L103-L131 HydrophobicContact CD1-CG 3.81Å; F128-L131 HydrophobicContact CD1-CD2 3.78Å; F128-L131 HydrophobicContact CE1-CD2 4.48Å; F128-L131 WeakPolarHBondContact O-CB 3.31Å; F128-L131 PolarHBondContact O-N 2.96Å; F128-L131 VanDerWaalsContact O-N 3.14Å; K129-L131 VanDerWaalsContact C-N 3.26Å; K129-L131 PolarHBondContact O-N 3.03Å; L131-R134 PolarHBondContact O-N 3.31Å; L131-K135 HydrophobicContact CD1-CD 3.95Å; L131-K135 HydrophobicContact CD1-CG 4.2Å; L131-K135 WeakPolarHBondContact O-CB 3.27Å; L131-K135 PolarHBondContact O-N 2.95Å
132	I	88.2	Confident	87.3	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-49.5	179.6	-62.5	162.2	0	0	0	109.8	I41 L103 I118 F128 K129 R134 K135 L136 V140	I41-I132 HydrophobicContact CD1-CD1 3.73Å; L103-I132 HydrophobicContact CD1-CG1 3.98Å; L103-I132 HydrophobicContact CD2-CG1 4.1Å; L103-I132 HydrophobicContact CD2-CG2 4.37Å; I118-I132 HydrophobicContact CG2-CG2 3.75Å; F128-I132 HydrophobicContact CB-CD1 4.2Å; F128-I132 HydrophobicContact CB-CG1 4.48Å; F128-I132 VanDerWaalsContact O-CG1 3.28Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 2.99Å; K129-I132 PolarHBondContact O-N 3.48Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 3.06Å; I132-K135 PolarHBondContact O-N 3.4Å; I132-L136 HydrophobicContact CG2-CD1 3.86Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 3.41Å; I132-L136 PolarHBondContact O-N 3.23Å; I132-V140 HydrophobicContact CB-CG2 3.82Å; I132-V140 HydrophobicContact CD1-CG2 4.25Å; I132-V140 HydrophobicContact CG2-CG2 3.65Å
133	E	90.4	Very high	87.5	Confident	62 Å²	62	66.3 Å²	66.3	29%	0.29	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-40.2	-179.6	-64.2	-175	153	0	0	111.5	K129 G137 L138 V140	K129-E133 WeakPolarHBondContact CE-OE1 3.11Å; K129-E133 HydrophobicContact CG-CG 4.34Å; K129-E133 IonicContact NZ-OE1 2.66Å; K129-E133 WeakPolarHBondContact O-CG 3.45Å; K129-E133 PolarHBondContact O-N 2.75Å; E133-G137 VanDerWaalsContact O-CA 3.24Å; E133-G137 WeakPolarHBondContact O-CA 3.34Å; E133-G137 PolarHBondContact O-N 2.86Å; E133-L138 VanDerWaalsContact CA-O 3.3Å; E133-L138 WeakPolarHBondContact CA-O 3.45Å; E133-L138 WeakPolarHBondContact CG-O 3.4Å; E133-V140 HydrophobicContact CG-CB 4.29Å; E133-V140 HydrophobicContact CG-CG2 3.74Å; E133-V140 PolarHBondContact OE1-N 3.49Å; E133-V140 VanDerWaalsContact OE1-N 3.12Å
134	R	90.8	Very high	88	Confident	176 Å²	176	68.1 Å²	68.1	66%	0.664	33%	0.329	S	S	*	.	H	α-helix	trans	-69.5	-44.7	177.8	-176.9	-176.6	67.1	-140.8	4.2	113.2	E130 L131 I132	E130-R134 WeakPolarHBondContact O-CB 3.45Å; E130-R134 PolarHBondContact O-N 3.21Å; L131-R134 PolarHBondContact O-N 3.31Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 3.06Å
135	K	87.9	Confident	88.2	Confident	32 Å²	32	72.1 Å²	72.1	14%	0.139	35%	0.346	C	S	.	.	H	α-helix	trans	-74.7	-45.3	-176.5	-80.2	-170.2	175.6	-110.1	0	111.8	E100 L103 D104 K107 L131 I132	E100-K135 IonicContact OE2-NZ 3.92Å; L103-K135 HydrophobicContact CB-CB 4.19Å; L103-K135 HydrophobicContact CB-CD 3.73Å; L103-K135 HydrophobicContact CD1-CD 4.2Å; D104-K135 IonicContact OD1-NZ 2.88Å; D104-K135 PolarHBondContact OD1-NZ 3.33Å; D104-K135 IonicContact OD2-NZ 2.6Å; D104-K135 PolarHBondContact OD2-NZ 2.92Å; K107-K135 VanDerWaalsContact CD-O 3.24Å; K107-K135 WeakPolarHBondContact CD-O 3.36Å; K107-K135 WeakPolarHBondContact CE-O 3.33Å; K107-K135 WeakPolarHBondContact CG-O 3.38Å; L131-K135 HydrophobicContact CD1-CD 3.95Å; L131-K135 HydrophobicContact CD1-CG 4.2Å; L131-K135 WeakPolarHBondContact O-CB 3.27Å; L131-K135 PolarHBondContact O-N 2.95Å; I132-K135 PolarHBondContact O-N 3.4Å
136	L	84.8	Confident	88.3	Confident	18 Å²	18	73.3 Å²	73.3	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-89.7	-21.6	-174.6	-55.2	-172.2	0	0	0	113.6	L103 I106 K107 L110 I118 I132 L138	L103-L136 HydrophobicContact CB-CD2 4.34Å; L103-L136 HydrophobicContact CD2-CD1 3.83Å; L103-L136 HydrophobicContact CD2-CD2 4.16Å; L103-L136 HydrophobicContact CD2-CG 4Å; L103-L136 WeakPolarHBondContact O-CD2 3.35Å; I106-L136 HydrophobicContact CB-CD2 4.03Å; I106-L136 HydrophobicContact CG2-CD1 4.19Å; I106-L136 HydrophobicContact CG2-CD2 3.85Å; K107-L136 HydrophobicContact CB-CD2 4.06Å; L110-L136 HydrophobicContact CD1-CB 4.32Å; L110-L136 HydrophobicContact CD1-CD2 4.13Å; I118-L136 HydrophobicContact CD1-CD1 3.85Å; I132-L136 HydrophobicContact CG2-CD1 3.86Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 3.41Å; I132-L136 PolarHBondContact O-N 3.23Å; L136-L138 HydrophobicContact CB-CB 4.29Å; L136-L138 HydrophobicContact CB-CD1 4.18Å; L136-L138 HydrophobicContact CB-CG 4.01Å; L136-L138 HydrophobicContact CD1-CD1 4.27Å; L136-L138 PolarHBondContact O-N 2.88Å
137	G	83.8	Confident	88.7	Confident	66 Å²	66	69 Å²	69	68%	0.68	33%	0.334	S	S	*	.			trans	69.9	11.9	-171.9	0	0	0	0	0	114	E133	E133-G137 VanDerWaalsContact O-CA 3.24Å; E133-G137 WeakPolarHBondContact O-CA 3.34Å; E133-G137 PolarHBondContact O-N 2.86Å
138	L	84.3	Confident	89	Confident	19 Å²	19	61 Å²	61	10%	0.099	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-98.9	149.5	177.5	-58	177.4	0	0	0	110.3	L110 I118 E133 L136	L110-L138 HydrophobicContact CD1-CD1 3.99Å; L110-L138 HydrophobicContact CD2-CD1 4.28Å; I118-L138 HydrophobicContact CB-CB 4.49Å; I118-L138 HydrophobicContact CB-CD1 4.14Å; I118-L138 HydrophobicContact CG2-CB 4.24Å; E133-L138 VanDerWaalsContact CA-O 3.3Å; E133-L138 WeakPolarHBondContact CA-O 3.45Å; E133-L138 WeakPolarHBondContact CG-O 3.4Å; L136-L138 HydrophobicContact CB-CB 4.29Å; L136-L138 HydrophobicContact CB-CD1 4.18Å; L136-L138 HydrophobicContact CB-CG 4.01Å; L136-L138 HydrophobicContact CD1-CD1 4.27Å; L136-L138 PolarHBondContact O-N 2.88Å
139	K	88.1	Confident	89.2	Confident	152 Å²	152	60.1 Å²	60.1	66%	0.661	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	138.7	169.1	-68.4	-174.8	177.5	-177.4	0	110.1	K116 V117 I118 D141	K116-K139 PolarHBondContact O-N 2.93Å; V117-K139 CarbonylContact C-O 3.47Å; V117-K139 VanDerWaalsContact CA-O 3.26Å; V117-K139 WeakPolarHBondContact CA-O 3.47Å; V117-K139 HydrophobicContact CG2-CB 4.4Å; I118-K139 PolarHBondContact N-O 2.93Å; K139-D141 PolarHBondContact O-N 3.17Å
140	V	88.6	Confident	89.4	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.7	172.9	173.9	0	0	0	0	109	I118 A120 K129 I132 E133	I118-V140 HydrophobicContact CG2-CG2 3.94Å; A120-V140 HydrophobicContact CB-CG1 3.66Å; K129-V140 HydrophobicContact CG-CB 4.08Å; K129-V140 HydrophobicContact CG-CG2 4.27Å; I132-V140 HydrophobicContact CB-CG2 3.82Å; I132-V140 HydrophobicContact CD1-CG2 4.25Å; I132-V140 HydrophobicContact CG2-CG2 3.65Å; E133-V140 HydrophobicContact CG-CB 4.29Å; E133-V140 HydrophobicContact CG-CG2 3.74Å; E133-V140 PolarHBondContact OE1-N 3.49Å; E133-V140 VanDerWaalsContact OE1-N 3.12Å
141	D	89.8	Confident	89.4	Confident	65 Å²	65	49.4 Å²	49.4	35%	0.348	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.6	169.7	-175.5	14.8	0	0	0	109.4	V117 I118 K119 A120 K139	V117-D141 HydrophobicContact CG1-CB 3.22Å; I118-D141 PolarHBondContact O-N 3.19Å; K119-D141 CarbonylContact C-O 3.32Å; K119-D141 WeakPolarHBondContact CA-O 3.23Å; K119-D141 HydrophobicContact CD-CB 4.17Å; K119-D141 IonicContact NZ-OD2 2.68Å; K119-D141 PolarHBondContact NZ-OD2 3.2Å; A120-D141 PolarHBondContact N-O 3.35Å; K139-D141 PolarHBondContact O-N 3.17Å
142	K	91.3	Very high	89.6	Confident	103 Å²	103	48.6 Å²	48.6	45%	0.448	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.5	-166.5	-167.4	-157.9	77.2	178.9	0	109.7	A120 A125 H126	A120-K142 CarbonylContact O-C 3.56Å; A120-K142 WeakPolarHBondContact O-CA 3.32Å; A125-K142 HydrophobicContact CB-CG 4.09Å; H126-K142 PolarHBondContact CE1-NZ 3.18Å; H126-K142 WeakPolarHBondContact NE2-CD 3.15Å; H126-K142 PolarHBondContact NE2-NZ 3.17Å
143	E	92.3	Very high	89.8	Confident	34 Å²	34	48.6 Å²	48.6	16%	0.159	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-94.7	149.4	176.7	-62.7	-64.8	165	0	0	111.5	K119 A120 T121 E145 C148 K365	K119-E143 HydrophobicContact CD-CG 4.02Å; K119-E143 WeakPolarHBondContact CD-OE1 3.45Å; K119-E143 WeakPolarHBondContact CE-OE1 3.16Å; K119-E143 IonicContact NZ-OE1 3.68Å; K119-E143 PolarHBondContact NZ-OE1 3.45Å; A120-E143 PolarHBondContact O-N 2.9Å; T121-E143 PolarHBondContact OG1-O 3.47Å; E143-E145 PolarHBondContact O-N 2.67Å; E143-C148 WeakPolarHBondContact CB-SG 3.17Å; E143-K365 HydrophobicContact CG-CB 4.24Å
144	D	90.4	Very high	90	Very high	89 Å²	89	45.6 Å²	45.6	48%	0.476	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.7	128.5	176.5	174.1	-106.4	0	0	0	111.5	M146 T147 C148	D144-M146 VanDerWaalsContact C-N 3.31Å; D144-M146 PolarHBondContact O-N 2.69Å; D144-M146 PolarHBondContact OD1-N 2.89Å; D144-T147 PolarHBondContact O-N 3.38Å; D144-T147 WeakPolarHBondContact OD1-CB 3.47Å; D144-T147 PolarHBondContact OD1-N 3.18Å; D144-T147 PolarHBondContact OD1-OG1 2.73Å; D144-C148 PolarHBondContact O-N 2.85Å; D144-C148 PolarHBondContact O-SG 3.38Å
145	E	87.4	Confident	89.9	Confident	93 Å²	93	38 Å²	38	44%	0.435	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-42.1	-175.6	-175.5	-178.6	156.6	0	0	112	T121 E143 L149	T121-E145 WeakPolarHBondContact OG1-CA 3.14Å; T121-E145 PolarHBondContact OG1-N 3.27Å; E143-E145 PolarHBondContact O-N 2.67Å; E145-L149 VanDerWaalsContact O-CB 3.28Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.47Å
146	M	88.7	Confident	90	Very high	26 Å²	26	36.5 Å²	36.5	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-72.2	-42.5	-176.8	-161.2	58.1	67.1	0	0	111.7	D144 C148 L149 I150 V199 F207	D144-M146 VanDerWaalsContact C-N 3.31Å; D144-M146 PolarHBondContact O-N 2.69Å; D144-M146 PolarHBondContact OD1-N 2.89Å; M146-C148 VanDerWaalsContact C-N 3.33Å; M146-C148 PolarHBondContact O-N 2.86Å; M146-L149 WeakPolarHBondContact O-CB 3.15Å; M146-L149 PolarHBondContact O-N 3.01Å; M146-L149 HydrophobicContact SD-CD2 3.85Å; M146-I150 WeakPolarHBondContact O-CG1 3.23Å; M146-I150 PolarHBondContact O-N 3.28Å; M146-V199 HydrophobicContact CE-CG2 3.84Å; M146-V199 HydrophobicContact CG-CG2 3.96Å; M146-V199 HydrophobicContact SD-CB 4.43Å; M146-V199 HydrophobicContact SD-CG2 3.39Å; M146-V199 WeakPolarHBondContact SD-CG2 3.19Å; M146-F207 HydrophobicContact CG-CE2 4.21Å
147	T	91.8	Very high	90.3	Very high	33 Å²	33	36 Å²	36	20%	0.202	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-45.7	176.6	-56.1	0	0	0	0	111.1	D144 K151 F207	D144-T147 PolarHBondContact O-N 3.38Å; D144-T147 WeakPolarHBondContact OD1-CB 3.47Å; D144-T147 PolarHBondContact OD1-N 3.18Å; D144-T147 PolarHBondContact OD1-OG1 2.73Å; T147-K151 HydrophobicContact CG2-CD 4.41Å; T147-K151 WeakPolarHBondContact O-CB 3.27Å; T147-K151 PolarHBondContact O-N 3.03Å; T147-F207 HydrophobicContact CG2-CZ 4.31Å
148	C	92.5	Very high	90.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-44.6	174.6	-71.2	0	0	0	0	111.5	T121 E143 D144 M146 I150 K151 G152 G358 G361 A362	T121-C148 HydrophobicContact CG2-CB 4.09Å; E143-C148 WeakPolarHBondContact CB-SG 3.17Å; D144-C148 PolarHBondContact O-N 2.85Å; D144-C148 PolarHBondContact O-SG 3.38Å; M146-C148 VanDerWaalsContact C-N 3.33Å; M146-C148 PolarHBondContact O-N 2.86Å; C148-I150 PolarHBondContact O-N 3.02Å; C148-K151 PolarHBondContact O-N 3.03Å; C148-G152 PolarHBondContact O-N 2.94Å; C148-G358 WeakPolarHBondContact CB-O 3.45Å; C148-G361 VanDerWaalsContact O-CA 3.26Å; C148-G361 WeakPolarHBondContact O-CA 3.46Å; C148-A362 VanDerWaalsContact SG-CA 3.57Å; C148-A362 PolarHBondContact SG-N 2.83Å; C148-A362 VanDerWaalsContact SG-N 3.43Å
149	L	92.2	Very high	90.5	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-47.1	179	-170.5	79.5	0	0	0	112.5	E145 M146 G152 C153 L189 N191 L357	E145-L149 VanDerWaalsContact O-CB 3.28Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.47Å; M146-L149 WeakPolarHBondContact O-CB 3.15Å; M146-L149 PolarHBondContact O-N 3.01Å; M146-L149 HydrophobicContact SD-CD2 3.85Å; L149-G152 PolarHBondContact O-N 3.43Å; L149-C153 VanDerWaalsContact O-CB 3.31Å; L149-C153 WeakPolarHBondContact O-CB 3.32Å; L149-C153 PolarHBondContact O-N 2.83Å; L149-L189 HydrophobicContact CD2-CD2 3.54Å; L149-L189 HydrophobicContact CG-CD2 3.87Å; L149-N191 HydrophobicContact CD2-CB 3.61Å; L149-N191 WeakPolarHBondContact CD2-ND2 3.47Å; L149-L357 HydrophobicContact CD1-CB 3.71Å; L149-L357 HydrophobicContact CD1-CD1 4.15Å; L149-L357 HydrophobicContact CG-CB 4.49Å
150	I	93.6	Very high	90.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-46.3	179	-62.2	-42.4	0	0	0	111	M146 C148 G152 C153 N154 L189 V199 V201 F207	M146-I150 WeakPolarHBondContact O-CG1 3.23Å; M146-I150 PolarHBondContact O-N 3.28Å; C148-I150 PolarHBondContact O-N 3.02Å; I150-G152 VanDerWaalsContact C-N 3.33Å; I150-G152 PolarHBondContact O-N 2.9Å; I150-C153 WeakPolarHBondContact O-CB 3.12Å; I150-C153 PolarHBondContact O-N 2.98Å; I150-N154 VanDerWaalsContact O-CG 3.28Å; I150-N154 PolarHBondContact O-N 3.32Å; I150-L189 HydrophobicContact CD1-CB 4.32Å; I150-L189 HydrophobicContact CD1-CD2 3.44Å; I150-L189 VanDerWaalsContact CD1-CD2 3.44Å; I150-V199 HydrophobicContact CD1-CB 4.42Å; I150-V199 HydrophobicContact CD1-CG1 4.01Å; I150-V199 HydrophobicContact CG1-CG1 4.34Å; I150-V201 HydrophobicContact CD1-CG2 3.64Å; I150-V201 HydrophobicContact CG1-CG2 4.24Å; I150-V201 HydrophobicContact CG2-CG1 3.9Å; I150-V201 HydrophobicContact CG2-CG2 4.18Å; I150-F207 HydrophobicContact CB-CD1 4.27Å; I150-F207 HydrophobicContact CB-CE1 4.41Å; I150-F207 HydrophobicContact CB-CG 4.47Å; I150-F207 HydrophobicContact CG1-CB 4.38Å; I150-F207 HydrophobicContact CG1-CD1 4.19Å; I150-F207 HydrophobicContact CG1-CD2 3.91Å; I150-F207 HydrophobicContact CG1-CE2 4.23Å; I150-F207 HydrophobicContact CG1-CG 3.9Å; I150-F207 HydrophobicContact CG2-CD1 3.95Å; I150-F207 HydrophobicContact CG2-CE1 4.44Å; I150-F207 HydrophobicContact CG2-CG 4.31Å
151	K	92.3	Very high	90.3	Very high	24 Å²	24	29.6 Å²	29.6	10%	0.104	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-43.4	177.3	-79.5	-179.1	174.6	-95.5	0	112.2	T147 C148 F155 D205 K365 E368	T147-K151 HydrophobicContact CG2-CD 4.41Å; T147-K151 WeakPolarHBondContact O-CB 3.27Å; T147-K151 PolarHBondContact O-N 3.03Å; C148-K151 PolarHBondContact O-N 3.03Å; K151-F155 VanDerWaalsContact O-CB 3.31Å; K151-F155 WeakPolarHBondContact O-CB 3.46Å; K151-F155 PolarHBondContact O-N 3.34Å; K151-D205 IonicContact NZ-OD1 3.67Å; K151-K365 HydrophobicContact CD-CD 4.47Å; K151-K365 HydrophobicContact CD-CG 4.21Å; K151-K365 VanDerWaalsContact CE-CE 3.42Å; K151-E368 WeakPolarHBondContact CE-OE1 3.38Å; K151-E368 IonicContact NZ-OE1 3.76Å; K151-E368 PolarHBondContact NZ-OE1 3.1Å
152	G	92.3	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-43.4	175.3	0	0	0	0	0	112.9	C148 L149 I150 F155 V156 L357	C148-G152 PolarHBondContact O-N 2.94Å; L149-G152 PolarHBondContact O-N 3.43Å; I150-G152 VanDerWaalsContact C-N 3.33Å; I150-G152 PolarHBondContact O-N 2.9Å; G152-F155 PolarHBondContact O-N 3.24Å; G152-V156 WeakPolarHBondContact O-CG2 3.37Å; G152-V156 PolarHBondContact O-N 3.49Å; G152-V156 VanDerWaalsContact O-N 3.08Å; G152-L357 WeakPolarHBondContact CA-O 3.34Å
153	C	93.5	Very high	90.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.6	-49.9	176.7	-169.9	0	0	0	0	111.7	L149 I150 F155 V156 L157 L189 L357	L149-C153 VanDerWaalsContact O-CB 3.31Å; L149-C153 WeakPolarHBondContact O-CB 3.32Å; L149-C153 PolarHBondContact O-N 2.83Å; I150-C153 WeakPolarHBondContact O-CB 3.12Å; I150-C153 PolarHBondContact O-N 2.98Å; C153-F155 VanDerWaalsContact C-N 3.29Å; C153-F155 PolarHBondContact O-N 3.28Å; C153-V156 VanDerWaalsContact O-CG2 3.31Å; C153-V156 WeakPolarHBondContact O-CG2 3.47Å; C153-V156 PolarHBondContact O-N 3.06Å; C153-L157 WeakPolarHBondContact O-CB 3.39Å; C153-L157 VanDerWaalsContact O-CG 3.29Å; C153-L157 WeakPolarHBondContact O-CG 3.23Å; C153-L157 PolarHBondContact O-N 2.96Å; C153-L157 VanDerWaalsContact O-N 3.1Å; C153-L189 HydrophobicContact CB-CD2 4.48Å; C153-L357 HydrophobicContact CB-CD1 4.11Å
154	N	92.6	Very high	90.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-40.8	177.2	-67.2	-16.5	0	0	0	111.7	I150 K158 I184 F185 Y187 E204	I150-N154 VanDerWaalsContact O-CG 3.28Å; I150-N154 PolarHBondContact O-N 3.32Å; N154-K158 WeakPolarHBondContact O-CB 3.35Å; N154-K158 VanDerWaalsContact O-CG 3.3Å; N154-K158 WeakPolarHBondContact O-CG 3.3Å; N154-K158 PolarHBondContact O-N 2.86Å; N154-K158 VanDerWaalsContact O-N 3.13Å; N154-I184 HydrophobicContact CB-CD1 4.14Å; N154-F185 WeakPolarHBondContact OD1-CE1 3.02Å; N154-Y187 WeakPolarHBondContact OD1-CE1 3.17Å; N154-Y187 PolarHBondContact OD1-OH 3.35Å; N154-E204 VanDerWaalsContact CB-OE1 3.26Å; N154-E204 WeakPolarHBondContact CB-OE1 3.4Å; N154-E204 VanDerWaalsContact ND2-CD 3.28Å; N154-E204 PolarHBondContact ND2-OE1 3.41Å; N154-E204 PolarHBondContact ND2-OE2 3.28Å
155	F	90.1	Very high	90.3	Very high	16 Å²	16	16.9 Å²	16.9	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-49.8	-179.6	178.8	-95.4	0	0	0	112.2	L89 K151 G152 C153 K158 N159 I360 L364 W377 M410	L89-F155 HydrophobicContact CD1-CZ 4.02Å; K151-F155 VanDerWaalsContact O-CB 3.31Å; K151-F155 WeakPolarHBondContact O-CB 3.46Å; K151-F155 PolarHBondContact O-N 3.34Å; G152-F155 PolarHBondContact O-N 3.24Å; C153-F155 VanDerWaalsContact C-N 3.29Å; C153-F155 PolarHBondContact O-N 3.28Å; F155-K158 PolarHBondContact O-N 3.35Å; F155-N159 WeakPolarHBondContact O-CB 3.46Å; F155-N159 PolarHBondContact O-N 3.43Å; F155-N159 PolarHBondContact O-ND2 3.23Å; F155-I360 HydrophobicContact CB-CG2 4.08Å; F155-I360 HydrophobicContact CD1-CG2 3.59Å; F155-I360 HydrophobicContact CE1-CG2 4.26Å; F155-I360 HydrophobicContact CG-CG2 3.99Å; F155-L364 HydrophobicContact CB-CD1 3.65Å; F155-L364 HydrophobicContact CD2-CD1 3.7Å; F155-L364 HydrophobicContact CD2-CD2 4.01Å; F155-L364 HydrophobicContact CD2-CG 4.47Å; F155-L364 HydrophobicContact CE2-CD1 4.49Å; F155-L364 HydrophobicContact CE2-CD2 4.03Å; F155-L364 HydrophobicContact CG-CD1 3.71Å; F155-W377 AromaticContact CE2-CD1 3.56Å; F155-W377 HydrophobicContact CE2-CG 4.12Å; F155-W377 AromaticContact CE2-NE1 3.78Å; F155-W377 HydrophobicContact CZ-CB 4.17Å; F155-W377 AromaticContact CZ-CD1 3.64Å; F155-W377 HydrophobicContact CZ-CD2 4.14Å; F155-W377 AromaticContact CZ-CG 3.71Å; F155-W377 HydrophobicContact CZ-CG 3.71Å; F155-M410 HydrophobicContact CE1-CE 3.77Å; F155-M410 HydrophobicContact CE1-SD 3.72Å; F155-M410 HydrophobicContact CZ-CE 4.21Å; F155-M410 HydrophobicContact CZ-SD 4.45Å
156	V	89.8	Confident	90.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.6	-41.9	-179.5	-62.9	0	0	0	0	111.7	G152 C153 K158 N159 I160 E163 H353 L357 I360	G152-V156 WeakPolarHBondContact O-CG2 3.37Å; G152-V156 PolarHBondContact O-N 3.49Å; G152-V156 VanDerWaalsContact O-N 3.08Å; C153-V156 VanDerWaalsContact O-CG2 3.31Å; C153-V156 WeakPolarHBondContact O-CG2 3.47Å; C153-V156 PolarHBondContact O-N 3.06Å; V156-K158 PolarHBondContact O-N 2.86Å; V156-N159 PolarHBondContact O-N 3.47Å; V156-I160 HydrophobicContact CB-CD1 4.11Å; V156-I160 HydrophobicContact CG1-CD1 4.04Å; V156-I160 WeakPolarHBondContact O-CB 3.35Å; V156-I160 PolarHBondContact O-N 2.91Å; V156-E163 HydrophobicContact CB-CG 3.87Å; V156-E163 HydrophobicContact CG2-CG 3.75Å; V156-H353 HydrophobicContact CG1-CB 4.46Å; V156-L357 HydrophobicContact CG1-CD2 4.36Å; V156-L357 HydrophobicContact CG2-CD2 3.68Å; V156-I360 HydrophobicContact CG1-CD1 3.55Å
157	L	90.6	Very high	90.4	Very high	9 Å²	9	12.6 Å²	12.6	5%	0.047	6%	0.064	C	C	.	.	H	α-helix	trans	-61.7	-31.3	179.2	-74.5	173.5	0	0	0	113	C153 E163 A164 I184 Y318 L351	C153-L157 WeakPolarHBondContact O-CB 3.39Å; C153-L157 VanDerWaalsContact O-CG 3.29Å; C153-L157 WeakPolarHBondContact O-CG 3.23Å; C153-L157 PolarHBondContact O-N 2.96Å; C153-L157 VanDerWaalsContact O-N 3.1Å; L157-E163 HydrophobicContact CD2-CG 4.23Å; L157-A164 HydrophobicContact CD2-CB 3.91Å; L157-I184 HydrophobicContact CB-CD1 4.17Å; L157-I184 HydrophobicContact CB-CG2 4.16Å; L157-I184 HydrophobicContact CD1-CD1 4.23Å; L157-Y318 HydrophobicContact CD1-CD2 4.46Å; L157-Y318 HydrophobicContact CD1-CE1 4.24Å; L157-Y318 HydrophobicContact CD1-CE2 4.11Å; L157-Y318 HydrophobicContact CD2-CD1 4.34Å; L157-Y318 HydrophobicContact CD2-CE1 3.74Å; L157-L351 HydrophobicContact CD2-CD2 3.63Å; L157-L351 HydrophobicContact CG-CD2 4.19Å
158	K	86.6	Confident	90	Very high	81 Å²	81	12.2 Å²	12.2	35%	0.352	6%	0.064	S	C	.	.	H	α-helix	trans	-87.1	-31.9	179.3	-72.6	174.4	175.5	178.4	0	113.8	N154 F155 V156 I184 E204	N154-K158 WeakPolarHBondContact O-CB 3.35Å; N154-K158 VanDerWaalsContact O-CG 3.3Å; N154-K158 WeakPolarHBondContact O-CG 3.3Å; N154-K158 PolarHBondContact O-N 2.86Å; N154-K158 VanDerWaalsContact O-N 3.13Å; F155-K158 PolarHBondContact O-N 3.35Å; V156-K158 PolarHBondContact O-N 2.86Å; K158-I184 HydrophobicContact CD-CD1 4.49Å; K158-I184 HydrophobicContact CG-CD1 4.2Å; K158-E204 IonicContact NZ-OE2 2.83Å; K158-E204 PolarHBondContact NZ-OE2 3.35Å
159	N	85.3	Confident	89.3	Confident	21 Å²	21	16.3 Å²	16.3	11%	0.112	8%	0.082	C	C	.	.	H	α-helix	trans	-101.2	-31.1	-170.7	-72.7	-84.3	0	0	0	113.8	F155 V156 P161 W377 M410 R702	F155-N159 WeakPolarHBondContact O-CB 3.46Å; F155-N159 PolarHBondContact O-N 3.43Å; F155-N159 PolarHBondContact O-ND2 3.23Å; V156-N159 PolarHBondContact O-N 3.47Å; N159-P161 WeakPolarHBondContact O-CD 3.4Å; N159-W377 HydrophobicContact CB-CB 4.12Å; N159-W377 PolarHBondContact OD1-N 2.95Å; N159-W377 VanDerWaalsContact OD1-N 3.16Å; N159-M410 HydrophobicContact CB-CE 3.99Å; N159-R702 PolarHBondContact O-NH1 2.95Å
160	I	87.3	Confident	88.5	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-100.8	114.3	-174.1	-58.6	178.4	0	0	0	109.4	V156 E163 L408 M410	V156-I160 HydrophobicContact CB-CD1 4.11Å; V156-I160 HydrophobicContact CG1-CD1 4.04Å; V156-I160 WeakPolarHBondContact O-CB 3.35Å; V156-I160 PolarHBondContact O-N 2.91Å; I160-E163 HydrophobicContact CB-CB 4.11Å; I160-E163 HydrophobicContact CG2-CB 4.22Å; I160-E163 WeakPolarHBondContact O-CB 3.44Å; I160-E163 PolarHBondContact O-N 2.97Å; I160-L408 HydrophobicContact CD1-CD1 4.5Å; I160-L408 HydrophobicContact CD1-CD2 4.25Å; I160-M410 HydrophobicContact CD1-CE 3.82Å; I160-M410 HydrophobicContact CD1-SD 3.9Å; I160-M410 HydrophobicContact CG1-CE 3.49Å; I160-M410 VanDerWaalsContact CG1-CE 3.49Å; I160-M410 HydrophobicContact CG1-SD 4.26Å
161	P	85.7	Confident	87.5	Confident	15 Å²	15	24.5 Å²	24.5	10%	0.097	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	141.5	167.7	-21.9	34.3	0	0	0	110.7	N159 E163 T180	N159-P161 WeakPolarHBondContact O-CD 3.4Å; P161-E163 PolarHBondContact O-N 3.06Å; P161-T180 WeakPolarHBondContact CA-OG1 3.34Å
162	H	89.4	Confident	86.3	Confident	14 Å²	14	31.4 Å²	31.4	7%	0.065	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	27.6	178.1	-50.1	-44.7	0	0	0	113.9	F177 Q178 R352	H162-F177 HydrophobicContact CB-CB 3.76Å; H162-F177 HydrophobicContact CB-CD1 3.95Å; H162-F177 HydrophobicContact CB-CG 3.98Å; H162-F177 WeakPolarHBondContact O-CD1 3.35Å; H162-Q178 VanDerWaalsContact CA-O 3.29Å; H162-Q178 WeakPolarHBondContact CA-O 3.24Å; H162-Q178 PolarHBondContact N-O 3.13Å; H162-Q178 PolarHBondContact ND1-O 2.9Å; H162-R352 WeakPolarHBondContact O-CD 3.38Å
163	E	91.4	Very high	85.4	Confident	3 Å²	3	31.7 Å²	31.7	1%	0.014	16%	0.164	C	C	.	.			trans	-64.6	-44.3	175.9	176.6	55.2	-151.3	0	0	112.2	V156 L157 I160 P161 L351 R352 H353	V156-E163 HydrophobicContact CB-CG 3.87Å; V156-E163 HydrophobicContact CG2-CG 3.75Å; L157-E163 HydrophobicContact CD2-CG 4.23Å; I160-E163 HydrophobicContact CB-CB 4.11Å; I160-E163 HydrophobicContact CG2-CB 4.22Å; I160-E163 WeakPolarHBondContact O-CB 3.44Å; I160-E163 PolarHBondContact O-N 2.97Å; P161-E163 PolarHBondContact O-N 3.06Å; E163-L351 HydrophobicContact CG-CD2 3.98Å; E163-L351 WeakPolarHBondContact O-CA 3.48Å; E163-L351 WeakPolarHBondContact OE1-CB 3.1Å; E163-R352 PolarHBondContact O-N 3.09Å; E163-R352 PolarHBondContact OE1-N 3.47Å; E163-R352 VanDerWaalsContact OE1-N 3.14Å; E163-H353 PolarHBondContact OE1-N 3Å; E163-H353 IonicContact OE1-ND1 2.66Å; E163-H353 IonicContact OE2-CE1 3.85Å; E163-H353 IonicContact OE2-CG 2.69Å; E163-H353 IonicContact OE2-ND1 2.8Å; E163-H353 PolarHBondContact OE2-ND1 3.07Å
164	A	92.3	Very high	84.9	Confident	5 Å²	5	35.1 Å²	35.1	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.3	-178	0	0	0	0	0	111.6	L157 F177 Q178 Y318 F350 L351	L157-A164 HydrophobicContact CD2-CB 3.91Å; A164-F177 WeakPolarHBondContact O-CA 3.49Å; A164-Q178 HydrophobicContact CB-CB 4.38Å; A164-Q178 PolarHBondContact O-N 3.21Å; A164-Y318 HydrophobicContact CB-CD1 4.38Å; A164-Y318 HydrophobicContact CB-CE1 3.7Å; A164-F350 CarbonylContact C-O 3.59Å; A164-F350 VanDerWaalsContact CA-O 3.24Å; A164-F350 WeakPolarHBondContact CA-O 3.41Å; A164-L351 HydrophobicContact CB-CD2 4.31Å
165	F	91.6	Very high	84.6	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.8	176.9	64.4	-86.7	0	0	0	113.6	F175 R176 F177 M331 L349 F350 R352 L387	F165-F175 AromaticContact CD2-CD1 3.64Å; F165-F175 HydrophobicContact CD2-CD1 3.64Å; F165-F175 HydrophobicContact CD2-CE1 4.32Å; F165-F175 AromaticContact CE2-CD1 3.49Å; F165-F175 HydrophobicContact CE2-CD1 3.49Å; F165-F175 VanDerWaalsContact CE2-CD1 3.49Å; F165-F175 AromaticContact CE2-CE1 3.7Å; F165-F175 HydrophobicContact CE2-CE1 3.7Å; F165-F175 HydrophobicContact CG-CD1 4.44Å; F165-F175 HydrophobicContact CZ-CD1 4.18Å; F165-F175 HydrophobicContact CZ-CE1 4.18Å; F165-R176 CarbonylContact C-O 3.53Å; F165-R176 WeakPolarHBondContact CA-O 3.41Å; F165-R176 WeakPolarHBondContact CB-O 3.47Å; F165-F177 HydrophobicContact CB-CD1 3.55Å; F165-F177 HydrophobicContact CB-CE1 3.82Å; F165-F177 HydrophobicContact CB-CG 4.14Å; F165-F177 HydrophobicContact CD1-CD1 4.24Å; F165-F177 AromaticContact CD1-CE1 3.82Å; F165-F177 HydrophobicContact CD1-CE1 3.82Å; F165-F177 HydrophobicContact CG-CD1 4.2Å; F165-F177 AromaticContact CG-CE1 3.96Å; F165-F177 HydrophobicContact CG-CE1 3.96Å; F165-M331 HydrophobicContact CE2-SD 3.8Å; F165-M331 HydrophobicContact CZ-SD 3.96Å; F165-L349 WeakPolarHBondContact O-CA 3.44Å; F165-F350 HydrophobicContact CD1-CB 4.34Å; F165-F350 HydrophobicContact CD2-CB 4.21Å; F165-F350 HydrophobicContact CD2-CD2 4.5Å; F165-F350 HydrophobicContact CE1-CB 3.87Å; F165-F350 HydrophobicContact CE2-CB 3.72Å; F165-F350 HydrophobicContact CE2-CD2 4.22Å; F165-F350 HydrophobicContact CE2-CG 4.29Å; F165-F350 HydrophobicContact CZ-CB 3.53Å; F165-F350 HydrophobicContact CZ-CG 4.46Å; F165-F350 PolarHBondContact N-O 2.6Å; F165-F350 PolarHBondContact O-N 2.72Å; F165-R352 HydrophobicContact CD1-CG 4.21Å; F165-R352 HydrophobicContact CE1-CG 4.2Å; F165-L387 HydrophobicContact CE1-CD2 3.95Å; F165-L387 HydrophobicContact CZ-CD2 3.98Å
166	V	89.8	Confident	84.5	Confident	25 Å²	25	40.5 Å²	40.5	15%	0.152	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.3	167.3	-179.8	0	0	0	0	108.7	R176 T335 Q347 L349	V166-R176 HydrophobicContact CB-CB 4.43Å; V166-R176 PolarHBondContact N-O 3.27Å; V166-R176 PolarHBondContact O-N 2.85Å; V166-T335 HydrophobicContact CG1-CG2 4.4Å; V166-Q347 HydrophobicContact CG2-CG 3.85Å; V166-L349 HydrophobicContact CG2-CD2 3.73Å
167	Y	88	Confident	84.5	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.1	174.4	-174.5	-99.1	0	0	0	112	K169 E174 F175 P328 M331 H332 T335	Y167-K169 HydrophobicContact CE1-CB 3.97Å; Y167-E174 CarbonylContact C-O 3.31Å; Y167-E174 VanDerWaalsContact CA-O 3.3Å; Y167-E174 WeakPolarHBondContact CA-O 3.11Å; Y167-E174 HydrophobicContact CD2-CB 4.49Å; Y167-E174 VanDerWaalsContact CD2-O 3.26Å; Y167-E174 WeakPolarHBondContact CD2-O 3.47Å; Y167-E174 HydrophobicContact CE2-CB 3.81Å; Y167-E174 PolarHBondContact OH-OE2 2.88Å; Y167-F175 HydrophobicContact CD2-CD1 4.03Å; Y167-F175 HydrophobicContact CD2-CD2 4.41Å; Y167-F175 AromaticContact CD2-CE1 3.73Å; Y167-F175 HydrophobicContact CD2-CE1 3.73Å; Y167-F175 HydrophobicContact CD2-CE2 4.14Å; Y167-F175 HydrophobicContact CD2-CG 4.35Å; Y167-F175 AromaticContact CD2-CZ 3.79Å; Y167-F175 HydrophobicContact CD2-CZ 3.79Å; Y167-F175 HydrophobicContact CE2-CD2 4.28Å; Y167-F175 HydrophobicContact CE2-CE1 4.1Å; Y167-F175 AromaticContact CE2-CE2 3.75Å; Y167-F175 HydrophobicContact CE2-CE2 3.75Å; Y167-F175 AromaticContact CE2-CZ 3.64Å; Y167-F175 HydrophobicContact CE2-CZ 3.64Å; Y167-P328 HydrophobicContact CE1-CB 3.97Å; Y167-P328 WeakPolarHBondContact CE1-O 3.33Å; Y167-P328 HydrophobicContact CE2-CB 4.3Å; Y167-P328 HydrophobicContact CE2-CG 4.49Å; Y167-P328 WeakPolarHBondContact OH-CB 3.38Å; Y167-M331 HydrophobicContact CD1-CB 3.73Å; Y167-M331 HydrophobicContact CG-CB 3.86Å; Y167-M331 HydrophobicContact CG-SD 4.39Å; Y167-H332 HydrophobicContact CD1-CB 4.04Å; Y167-H332 HydrophobicContact CE1-CB 3.88Å; Y167-T335 PolarHBondContact O-OG1 3.48Å
168	A	83.9	Confident	84.3	Confident	25 Å²	25	43.8 Å²	43.8	21%	0.207	22%	0.215	C	C	.	.			trans	-138.3	89.2	-178	0	0	0	0	0	112.2	H170 A171 E174	A168-H170 PolarHBondContact O-N 3.33Å; A168-A171 HydrophobicContact CB-CB 3.72Å; A168-A171 WeakPolarHBondContact O-CB 3.29Å; A168-A171 PolarHBondContact O-N 2.98Å; A168-E174 PolarHBondContact N-O 3.15Å; A168-E174 WeakPolarHBondContact O-CA 3.3Å
169	K	77	Confident	83.8	Confident	87 Å²	87	41.8 Å²	41.8	38%	0.378	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-32	-176.2	-170.1	179	178.7	-173.2	0	117.1	Y167 H332	Y167-K169 HydrophobicContact CE1-CB 3.97Å; K169-H332 HydrophobicContact CB-CB 4.34Å
170	H	75.5	Confident	83.1	Confident	156 Å²	156	42.2 Å²	42.2	72%	0.722	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	11.8	-175.1	-60.7	-53.7	0	0	0	113.2	A168	A168-H170 PolarHBondContact O-N 3.33Å
171	A	73.1	Confident	82.4	Confident	27 Å²	27	44.4 Å²	44.4	22%	0.223	23%	0.225	C	C	.	.	S	Bend	trans	-86.3	157.8	171.2	0	0	0	0	0	110.2	A168 S173	A168-A171 HydrophobicContact CB-CB 3.72Å; A168-A171 WeakPolarHBondContact O-CB 3.29Å; A168-A171 PolarHBondContact O-N 2.98Å; A171-S173 WeakPolarHBondContact CB-O 3.16Å; A171-S173 PolarHBondContact O-N 3.43Å
172	D	66.6	Low	81.6	Confident	169 Å²	169	47.5 Å²	47.5	90%	0.904	25%	0.245	S	C	*	.	S	Bend	trans	-56.7	-33.9	175	-59.2	-42.4	0	0	0	112
173	S	73.3	Confident	81.3	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.042	27%	0.266	C	S	.	.	S	Bend	trans	-114.5	112.2	168.4	-175.4	0	0	0	0	110.1	A171 F175 E438	A171-S173 WeakPolarHBondContact CB-O 3.16Å; A171-S173 PolarHBondContact O-N 3.43Å; S173-F175 VanDerWaalsContact C-N 3.26Å; S173-F175 PolarHBondContact O-N 3.48Å; S173-F175 PolarHBondContact OG-O 3.35Å; S173-E438 WeakPolarHBondContact CB-OE1 3.44Å
174	E	82.7	Confident	81.1	Confident	72 Å²	72	51.4 Å²	51.4	34%	0.336	27%	0.267	S	S	.	.	S	Bend	trans	-66.6	-29.3	178.6	-68.4	-166.3	170.1	0	0	112.4	Y167 A168	Y167-E174 CarbonylContact C-O 3.31Å; Y167-E174 VanDerWaalsContact CA-O 3.3Å; Y167-E174 WeakPolarHBondContact CA-O 3.11Å; Y167-E174 HydrophobicContact CD2-CB 4.49Å; Y167-E174 VanDerWaalsContact CD2-O 3.26Å; Y167-E174 WeakPolarHBondContact CD2-O 3.47Å; Y167-E174 HydrophobicContact CE2-CB 3.81Å; Y167-E174 PolarHBondContact OH-OE2 2.88Å; A168-E174 PolarHBondContact N-O 3.15Å; A168-E174 WeakPolarHBondContact O-CA 3.3Å
175	F	87.2	Confident	81.2	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.5	-178.3	-65.2	-94.9	0	0	0	109.3	F165 Y167 S173 F177 L387 F494	F165-F175 AromaticContact CD2-CD1 3.64Å; F165-F175 HydrophobicContact CD2-CD1 3.64Å; F165-F175 HydrophobicContact CD2-CE1 4.32Å; F165-F175 AromaticContact CE2-CD1 3.49Å; F165-F175 HydrophobicContact CE2-CD1 3.49Å; F165-F175 VanDerWaalsContact CE2-CD1 3.49Å; F165-F175 AromaticContact CE2-CE1 3.7Å; F165-F175 HydrophobicContact CE2-CE1 3.7Å; F165-F175 HydrophobicContact CG-CD1 4.44Å; F165-F175 HydrophobicContact CZ-CD1 4.18Å; F165-F175 HydrophobicContact CZ-CE1 4.18Å; Y167-F175 HydrophobicContact CD2-CD1 4.03Å; Y167-F175 HydrophobicContact CD2-CD2 4.41Å; Y167-F175 AromaticContact CD2-CE1 3.73Å; Y167-F175 HydrophobicContact CD2-CE1 3.73Å; Y167-F175 HydrophobicContact CD2-CE2 4.14Å; Y167-F175 HydrophobicContact CD2-CG 4.35Å; Y167-F175 AromaticContact CD2-CZ 3.79Å; Y167-F175 HydrophobicContact CD2-CZ 3.79Å; Y167-F175 HydrophobicContact CE2-CD2 4.28Å; Y167-F175 HydrophobicContact CE2-CE1 4.1Å; Y167-F175 AromaticContact CE2-CE2 3.75Å; Y167-F175 HydrophobicContact CE2-CE2 3.75Å; Y167-F175 AromaticContact CE2-CZ 3.64Å; Y167-F175 HydrophobicContact CE2-CZ 3.64Å; S173-F175 VanDerWaalsContact C-N 3.26Å; S173-F175 PolarHBondContact O-N 3.48Å; S173-F175 PolarHBondContact OG-O 3.35Å; F175-F177 HydrophobicContact CB-CE2 3.82Å; F175-F177 HydrophobicContact CB-CZ 4.05Å; F175-L387 HydrophobicContact CD1-CD2 4.11Å; F175-L387 HydrophobicContact CE1-CD2 3.95Å; F175-F494 HydrophobicContact CB-CB 4.03Å; F175-F494 HydrophobicContact CD2-CB 4.09Å; F175-F494 AromaticContact CD2-CD1 3.69Å; F175-F494 HydrophobicContact CD2-CD1 3.69Å; F175-F494 HydrophobicContact CD2-CD2 4.13Å; F175-F494 HydrophobicContact CD2-CE1 4.21Å; F175-F494 AromaticContact CD2-CG 3.66Å; F175-F494 HydrophobicContact CD2-CG 3.66Å; F175-F494 AromaticContact CE2-CD1 3.93Å; F175-F494 HydrophobicContact CE2-CD1 3.93Å; F175-F494 HydrophobicContact CE2-CD2 4.03Å; F175-F494 HydrophobicContact CE2-CE1 4Å; F175-F494 HydrophobicContact CE2-CE2 4.1Å; F175-F494 AromaticContact CE2-CG 3.97Å; F175-F494 HydrophobicContact CE2-CG 3.97Å; F175-F494 HydrophobicContact CE2-CZ 4.1Å; F175-F494 HydrophobicContact CG-CB 4.05Å; F175-F494 HydrophobicContact CG-CD1 4.48Å; F175-F494 HydrophobicContact CG-CD2 4.45Å; F175-F494 HydrophobicContact CG-CG 4.06Å; F175-F494 HydrophobicContact CZ-CD2 4.26Å; F175-F494 HydrophobicContact CZ-CE2 4.28Å
176	R	88	Confident	81.3	Confident	123 Å²	123	55.5 Å²	55.5	46%	0.464	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	101.9	177.6	-65.8	179.6	-178.2	176.5	-5.1	109.7	F165 V166	F165-R176 CarbonylContact C-O 3.53Å; F165-R176 WeakPolarHBondContact CA-O 3.41Å; F165-R176 WeakPolarHBondContact CB-O 3.47Å; V166-R176 HydrophobicContact CB-CB 4.43Å; V166-R176 PolarHBondContact N-O 3.27Å; V166-R176 PolarHBondContact O-N 2.85Å
177	F	89.8	Confident	81.6	Confident	26 Å²	26	54.3 Å²	54.3	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145	-177.1	-65.3	-80	0	0	0	112	H162 A164 F165 F175 R352 L387 F494 G497 S498	H162-F177 HydrophobicContact CB-CB 3.76Å; H162-F177 HydrophobicContact CB-CD1 3.95Å; H162-F177 HydrophobicContact CB-CG 3.98Å; H162-F177 WeakPolarHBondContact O-CD1 3.35Å; A164-F177 WeakPolarHBondContact O-CA 3.49Å; F165-F177 HydrophobicContact CB-CD1 3.55Å; F165-F177 HydrophobicContact CB-CE1 3.82Å; F165-F177 HydrophobicContact CB-CG 4.14Å; F165-F177 HydrophobicContact CD1-CD1 4.24Å; F165-F177 AromaticContact CD1-CE1 3.82Å; F165-F177 HydrophobicContact CD1-CE1 3.82Å; F165-F177 HydrophobicContact CG-CD1 4.2Å; F165-F177 AromaticContact CG-CE1 3.96Å; F165-F177 HydrophobicContact CG-CE1 3.96Å; F175-F177 HydrophobicContact CB-CE2 3.82Å; F175-F177 HydrophobicContact CB-CZ 4.05Å; F177-R352 HydrophobicContact CE1-CG 3.99Å; F177-L387 HydrophobicContact CZ-CD2 4.47Å; F177-F494 HydrophobicContact CE2-CB 3.73Å; F177-F494 HydrophobicContact CZ-CB 3.85Å; F177-F494 WeakPolarHBondContact CZ-O 3.26Å; F177-G497 VanDerWaalsContact CD2-C 3.46Å; F177-G497 WeakPolarHBondContact CE2-O 3.34Å; F177-S498 VanDerWaalsContact CD2-N 3.3Å
178	Q	85.4	Confident	82.1	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.243	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-91.5	142.8	171.1	-60.1	-163.3	-41.4	0	0	109.8	H162 A164 L349	H162-Q178 VanDerWaalsContact CA-O 3.29Å; H162-Q178 WeakPolarHBondContact CA-O 3.24Å; H162-Q178 PolarHBondContact N-O 3.13Å; H162-Q178 PolarHBondContact ND1-O 2.9Å; A164-Q178 HydrophobicContact CB-CB 4.38Å; A164-Q178 PolarHBondContact O-N 3.21Å; Q178-L349 HydrophobicContact CG-CD2 4.08Å; Q178-L349 VanDerWaalsContact NE2-CD2 3.34Å
179	T	76.6	Confident	82.7	Confident	39 Å²	39	53 Å²	53	24%	0.239	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.1	157.5	167	45.3	0	0	0	0	110.3	N181 I430	T179-N181 PolarHBondContact O-N 3.32Å; T179-I430 HydrophobicContact CG2-CG1 3.98Å
180	T	71.2	Confident	83.5	Confident	30 Å²	30	48.9 Å²	48.9	18%	0.184	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64.1	118.8	177.8	-57.4	0	0	0	0	109.4	P161	P161-T180 WeakPolarHBondContact CA-OG1 3.34Å
181	N	71.1	Confident	84.3	Confident	47 Å²	47	42.3 Å²	42.3	25%	0.251	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-95.8	128.6	175.4	-170.2	-26.2	0	0	0	109.5	T179 D183 I184	T179-N181 PolarHBondContact O-N 3.32Å; N181-D183 PolarHBondContact O-N 3.05Å; N181-D183 PolarHBondContact OD1-N 3.02Å; N181-D183 PolarHBondContact OD1-O 2.82Å; N181-I184 WeakPolarHBondContact O-CG2 3.48Å
182	P	68.9	Low	85.1	Confident	80 Å²	80	41 Å²	41	52%	0.519	21%	0.214	S	C	.	.	S	Bend	trans	-59.3	-26.6	173.4	24	-34.9	0	0	0	113.3	P426	P182-P426 HydrophobicContact CG-CB 4.46Å
183	D	83.2	Confident	86	Confident	94 Å²	94	34.3 Å²	34.3	50%	0.503	19%	0.185	S	C	.	.			trans	-113.1	91.9	176.4	-169	8.6	0	0	0	112.5	N181 F185 R316	N181-D183 PolarHBondContact O-N 3.05Å; N181-D183 PolarHBondContact OD1-N 3.02Å; N181-D183 PolarHBondContact OD1-O 2.82Å; D183-F185 VanDerWaalsContact C-N 3.35Å; D183-F185 PolarHBondContact OD1-N 3.47Å; D183-R316 PolarHBondContact O-NH1 3.34Å
184	I	88.7	Confident	86.4	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.21	C	C	.	.			trans	-82.2	-11.8	177.6	65.4	169.2	0	0	0	113	N154 L157 K158 N181 Y187 R316	N154-I184 HydrophobicContact CB-CD1 4.14Å; L157-I184 HydrophobicContact CB-CD1 4.17Å; L157-I184 HydrophobicContact CB-CG2 4.16Å; L157-I184 HydrophobicContact CD1-CD1 4.23Å; K158-I184 HydrophobicContact CD-CD1 4.49Å; K158-I184 HydrophobicContact CG-CD1 4.2Å; N181-I184 WeakPolarHBondContact O-CG2 3.48Å; I184-Y187 HydrophobicContact CD1-CE1 4.27Å; I184-Y187 VanDerWaalsContact O-CD1 3.28Å; I184-Y187 WeakPolarHBondContact O-CD1 3.32Å; I184-R316 VanDerWaalsContact C-NH2 3.35Å; I184-R316 PolarHBondContact O-NH1 2.91Å; I184-R316 PolarHBondContact O-NH2 3.36Å; I184-R316 VanDerWaalsContact O-NH2 3.11Å
185	F	92.9	Very high	86.6	Confident	30 Å²	30	35.9 Å²	35.9	13%	0.132	21%	0.208	C	C	.	.			trans	-103.4	156.5	-172	-54.9	-71.5	0	0	0	112.6	N154 D183 Y187 V201 E202 S203 E204 R316	N154-F185 WeakPolarHBondContact OD1-CE1 3.02Å; D183-F185 VanDerWaalsContact C-N 3.35Å; D183-F185 PolarHBondContact OD1-N 3.47Å; F185-Y187 AromaticContact CD1-CD1 3.89Å; F185-Y187 HydrophobicContact CD1-CD1 3.89Å; F185-Y187 AromaticContact CD1-CE1 3.7Å; F185-Y187 HydrophobicContact CD1-CE1 3.7Å; F185-Y187 HydrophobicContact CE1-CD1 4.34Å; F185-Y187 AromaticContact CE1-CE1 3.67Å; F185-Y187 HydrophobicContact CE1-CE1 3.67Å; F185-V201 HydrophobicContact CD1-CG1 3.87Å; F185-V201 HydrophobicContact CE1-CG1 3.63Å; F185-E202 WeakPolarHBondContact CB-O 3.34Å; F185-S203 VanDerWaalsContact CE1-C 3.5Å; F185-E204 HydrophobicContact CZ-CB 4.47Å; F185-R316 PolarHBondContact O-NH2 3.16Å
186	P	95.2	Very high	86.9	Confident	63 Å²	63	35.8 Å²	35.8	41%	0.409	21%	0.208	S	C	.	.	S	Bend	cis	-75.7	159.7	-15.2	34.7	-35.6	0	0	0	111.3	V201 L314 R316	P186-V201 VanDerWaalsContact CA-O 3.26Å; P186-V201 WeakPolarHBondContact CA-O 3.46Å; P186-V201 WeakPolarHBondContact CB-O 3.48Å; P186-L314 HydrophobicContact CB-CD2 3.72Å; P186-L314 HydrophobicContact CG-CD2 3.69Å; P186-R316 PolarHBondContact O-NE 2.95Å; P186-R316 PolarHBondContact O-NH2 3.3Å
187	Y	95.9	Very high	87.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.7	174.3	68.6	-96.7	0	0	0	112.2	N154 I184 F185 L189 V201 Y318	N154-Y187 WeakPolarHBondContact OD1-CE1 3.17Å; N154-Y187 PolarHBondContact OD1-OH 3.35Å; I184-Y187 HydrophobicContact CD1-CE1 4.27Å; I184-Y187 VanDerWaalsContact O-CD1 3.28Å; I184-Y187 WeakPolarHBondContact O-CD1 3.32Å; F185-Y187 AromaticContact CD1-CD1 3.89Å; F185-Y187 HydrophobicContact CD1-CD1 3.89Å; F185-Y187 AromaticContact CD1-CE1 3.7Å; F185-Y187 HydrophobicContact CD1-CE1 3.7Å; F185-Y187 HydrophobicContact CE1-CD1 4.34Å; F185-Y187 AromaticContact CE1-CE1 3.67Å; F185-Y187 HydrophobicContact CE1-CE1 3.67Å; Y187-L189 HydrophobicContact CD2-CB 4.45Å; Y187-L189 HydrophobicContact CE2-CB 4.04Å; Y187-V201 HydrophobicContact CD1-CB 4.09Å; Y187-V201 HydrophobicContact CD1-CG1 4.39Å; Y187-V201 HydrophobicContact CD2-CB 4.15Å; Y187-V201 HydrophobicContact CD2-CG2 4.14Å; Y187-V201 HydrophobicContact CE1-CB 3.78Å; Y187-V201 HydrophobicContact CE1-CG1 3.72Å; Y187-V201 HydrophobicContact CE1-CG2 4.33Å; Y187-V201 HydrophobicContact CE2-CB 3.85Å; Y187-V201 HydrophobicContact CE2-CG1 4.44Å; Y187-V201 HydrophobicContact CE2-CG2 3.57Å; Y187-V201 HydrophobicContact CG-CB 4.28Å; Y187-V201 PolarHBondContact N-O 3.44Å; Y187-V201 PolarHBondContact O-N 3.28Å; Y187-Y318 HydrophobicContact CD1-CE2 4.3Å; Y187-Y318 AromaticContact CD2-CD2 3.46Å; Y187-Y318 HydrophobicContact CD2-CD2 3.46Å; Y187-Y318 VanDerWaalsContact CD2-CD2 3.46Å; Y187-Y318 AromaticContact CD2-CE2 3.98Å; Y187-Y318 HydrophobicContact CD2-CE2 3.98Å; Y187-Y318 HydrophobicContact CE2-CD2 4.1Å; Y187-Y318 AromaticContact CG-CD2 3.72Å; Y187-Y318 HydrophobicContact CG-CD2 3.72Å; Y187-Y318 AromaticContact CG-CE2 3.74Å; Y187-Y318 HydrophobicContact CG-CE2 3.74Å
188	L	97.2	Very high	87.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.7	171.2	-168.1	70.5	0	0	0	109.5	V190 I198 I210 A309 L314 R316 V317 Y318	L188-V190 HydrophobicContact CD2-CG2 4.11Å; L188-V190 HydrophobicContact CG-CG2 4.28Å; L188-I198 HydrophobicContact CD1-CG2 3.66Å; L188-I198 HydrophobicContact CD2-CG2 4.05Å; L188-I198 HydrophobicContact CG-CG2 4.05Å; L188-I210 HydrophobicContact CD1-CD1 3.73Å; L188-I210 HydrophobicContact CD1-CG1 4.46Å; L188-A309 HydrophobicContact CD2-CB 4.24Å; L188-L314 HydrophobicContact CB-CD1 3.93Å; L188-L314 HydrophobicContact CD1-CD1 4.17Å; L188-R316 PolarHBondContact N-O 3.22Å; L188-V317 HydrophobicContact CB-CB 4.41Å; L188-V317 HydrophobicContact CB-CG1 4.2Å; L188-V317 HydrophobicContact CB-CG2 4.05Å; L188-V317 HydrophobicContact CD2-CG1 4.01Å; L188-V317 HydrophobicContact CD2-CG2 4.01Å; L188-V317 HydrophobicContact CG-CG1 4.35Å; L188-V317 CarbonylContact O-C 3.6Å; L188-V317 WeakPolarHBondContact O-CA 3.45Å; L188-Y318 PolarHBondContact O-N 3.33Å
189	L	96.3	Very high	88	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.2	168.8	-172.1	64.1	0	0	0	109.8	L149 I150 C153 Y187 V199 Y318	L149-L189 HydrophobicContact CD2-CD2 3.54Å; L149-L189 HydrophobicContact CG-CD2 3.87Å; I150-L189 HydrophobicContact CD1-CB 4.32Å; I150-L189 HydrophobicContact CD1-CD2 3.44Å; I150-L189 VanDerWaalsContact CD1-CD2 3.44Å; C153-L189 HydrophobicContact CB-CD2 4.48Å; Y187-L189 HydrophobicContact CD2-CB 4.45Å; Y187-L189 HydrophobicContact CE2-CB 4.04Å; L189-V199 PolarHBondContact N-O 3.45Å; L189-V199 PolarHBondContact O-N 3.21Å; L189-Y318 WeakPolarHBondContact CA-O 3.15Å
190	V	95.6	Very high	89	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	97.7	173.2	-177.2	0	0	0	0	107.9	L188 I192 V196 I198 I301 A305 V317 Y318 F319 G320	L188-V190 HydrophobicContact CD2-CG2 4.11Å; L188-V190 HydrophobicContact CG-CG2 4.28Å; V190-I192 HydrophobicContact CG1-CG1 4.2Å; V190-V196 HydrophobicContact CG1-CG1 3.76Å; V190-I198 HydrophobicContact CG1-CG1 4.34Å; V190-I198 HydrophobicContact CG2-CG1 4.38Å; V190-I198 HydrophobicContact CG2-CG2 4.46Å; V190-I301 HydrophobicContact CG1-CG2 4.05Å; V190-A305 HydrophobicContact CG2-CB 3.95Å; V190-V317 HydrophobicContact CG2-CG1 3.64Å; V190-Y318 PolarHBondContact N-O 3.33Å; V190-F319 HydrophobicContact CB-CD1 3.72Å; V190-F319 HydrophobicContact CB-CE1 3.68Å; V190-F319 HydrophobicContact CB-CZ 4.46Å; V190-F319 HydrophobicContact CG1-CD1 3.9Å; V190-F319 HydrophobicContact CG1-CE1 3.75Å; V190-F319 HydrophobicContact CG2-CD1 4.46Å; V190-F319 HydrophobicContact CG2-CE1 3.98Å; V190-F319 HydrophobicContact CG2-CZ 4.35Å; V190-F319 WeakPolarHBondContact O-CA 3.46Å; V190-G320 PolarHBondContact O-N 2.92Å
191	N	92	Very high	90.2	Very high	18 Å²	18	26 Å²	26	10%	0.096	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.8	179.8	-173	26.7	0	0	0	110.8	L149 V196 S197 G321	L149-N191 HydrophobicContact CD2-CB 3.61Å; L149-N191 WeakPolarHBondContact CD2-ND2 3.47Å; N191-V196 WeakPolarHBondContact O-CA 3.16Å; N191-S197 PolarHBondContact N-O 3.06Å; N191-S197 PolarHBondContact O-N 2.8Å; N191-G321 WeakPolarHBondContact OD1-CA 3Å; N191-G321 PolarHBondContact OD1-N 3.05Å
192	I	90.3	Very high	91.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	87.7	-176.2	-45.8	165.4	0	0	0	109.6	V190 V196 I301 F319 G320 G321 F322 F323 I324 I334	V190-I192 HydrophobicContact CG1-CG1 4.2Å; I192-V196 HydrophobicContact CG2-CG2 4.26Å; I192-I301 HydrophobicContact CD1-CD1 4.16Å; I192-I301 HydrophobicContact CD1-CG2 3.89Å; I192-I301 HydrophobicContact CG1-CD1 4.3Å; I192-I301 HydrophobicContact CG1-CG2 4.25Å; I192-I301 HydrophobicContact CG2-CD1 3.77Å; I192-F319 HydrophobicContact CD1-CD1 4Å; I192-G320 PolarHBondContact N-O 3.16Å; I192-G321 CarbonylContact O-C 3.54Å; I192-G321 WeakPolarHBondContact O-CA 3.38Å; I192-F322 PolarHBondContact O-N 2.67Å; I192-F323 HydrophobicContact CB-CB 3.98Å; I192-F323 HydrophobicContact CD1-CD1 4.37Å; I192-F323 HydrophobicContact CG2-CB 3.39Å; I192-F323 HydrophobicContact CG2-CD1 3.65Å; I192-F323 HydrophobicContact CG2-CG 3.74Å; I192-F323 PolarHBondContact O-N 3.06Å; I192-I324 HydrophobicContact CD1-CG2 3.84Å; I192-I334 HydrophobicContact CD1-CD1 3.94Å
193	G	83.6	Confident	92.5	Very high	28 Å²	28	25.7 Å²	25.7	29%	0.289	16%	0.161	S	C	.	.	S	Bend	trans	-97.9	-136.1	171.6	0	0	0	0	0	111.6	G195 G217	G193-G195 VanDerWaalsContact C-N 3.31Å; G193-G195 CarbonylContact C-O 3.59Å; G193-G195 VanDerWaalsContact C-O 3.28Å; G193-G195 WeakPolarHBondContact CA-O 3.39Å; G193-G195 PolarHBondContact N-O 2.91Å; G193-G217 WeakPolarHBondContact O-CA 3.39Å; G193-G217 PolarHBondContact O-N 3.44Å
194	S	82.3	Confident	92.7	Very high	81 Å²	81	23.3 Å²	23.3	57%	0.566	15%	0.147	S	C	*	.	S	Bend	trans	-59.6	-44.2	170.8	-59.6	0	0	0	0	111.4	G216 G218	S194-G216 CarbonylContact O-C 3.57Å; S194-G218 WeakPolarHBondContact O-CA 3.46Å; S194-G218 PolarHBondContact O-N 3.35Å
195	G	87.5	Confident	92.6	Very high	29 Å²	29	28.9 Å²	28.9	30%	0.299	18%	0.177	S	C	.	.	S	Bend	trans	-112.4	-161.4	163.6	0	0	0	0	0	110.9	G193	G193-G195 VanDerWaalsContact C-N 3.31Å; G193-G195 CarbonylContact C-O 3.59Å; G193-G195 VanDerWaalsContact C-O 3.28Å; G193-G195 WeakPolarHBondContact CA-O 3.39Å; G193-G195 PolarHBondContact N-O 2.91Å
196	V	92.4	Very high	92.6	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.6	-178.7	-175.1	0	0	0	0	109.3	V190 N191 I192 I198 G212 S213 I215 I301	V190-V196 HydrophobicContact CG1-CG1 3.76Å; N191-V196 WeakPolarHBondContact O-CA 3.16Å; I192-V196 HydrophobicContact CG2-CG2 4.26Å; V196-I198 HydrophobicContact CG1-CG1 4.15Å; V196-G212 CarbonylContact O-C 3.54Å; V196-G212 WeakPolarHBondContact O-CA 3.04Å; V196-S213 PolarHBondContact N-O 2.97Å; V196-S213 PolarHBondContact O-N 3.12Å; V196-I215 WeakPolarHBondContact CG2-O 3.5Å; V196-I301 HydrophobicContact CG2-CD1 3.93Å; V196-I301 HydrophobicContact CG2-CG1 3.89Å
197	S	93.4	Very high	92.7	Very high	29 Å²	29	33 Å²	33	20%	0.203	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.1	168.5	-74.1	0	0	0	0	110	N191 R209	N191-S197 PolarHBondContact N-O 3.06Å; N191-S197 PolarHBondContact O-N 2.8Å; S197-R209 PolarHBondContact OG-NE 2.75Å
198	I	96.6	Very high	92.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.7	-178.1	-58.4	176.8	0	0	0	107.4	L188 V190 V196 R209 I210 G211 L304 Y308	L188-I198 HydrophobicContact CD1-CG2 3.66Å; L188-I198 HydrophobicContact CD2-CG2 4.05Å; L188-I198 HydrophobicContact CG-CG2 4.05Å; V190-I198 HydrophobicContact CG1-CG1 4.34Å; V190-I198 HydrophobicContact CG2-CG1 4.38Å; V190-I198 HydrophobicContact CG2-CG2 4.46Å; V196-I198 HydrophobicContact CG1-CG1 4.15Å; I198-R209 CarbonylContact O-C 3.51Å; I198-I210 HydrophobicContact CG2-CD1 4.32Å; I198-I210 HydrophobicContact CG2-CG1 4.09Å; I198-I210 PolarHBondContact O-N 2.86Å; I198-I210 VanDerWaalsContact O-N 3.09Å; I198-G211 PolarHBondContact N-O 3.18Å; I198-G211 PolarHBondContact O-N 2.99Å; I198-G211 VanDerWaalsContact O-N 3.16Å; I198-L304 HydrophobicContact CD1-CB 3.97Å; I198-Y308 HydrophobicContact CD1-CD2 3.5Å; I198-Y308 HydrophobicContact CD1-CE2 3.71Å; I198-Y308 HydrophobicContact CG2-CD2 4.03Å; I198-Y308 HydrophobicContact CG2-CG 4.04Å
199	V	97	Very high	92.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.9	-172	-175.8	0	0	0	0	110.2	M146 I150 L189 V201 F207 E208 R209	M146-V199 HydrophobicContact CE-CG2 3.84Å; M146-V199 HydrophobicContact CG-CG2 3.96Å; M146-V199 HydrophobicContact SD-CB 4.43Å; M146-V199 HydrophobicContact SD-CG2 3.39Å; M146-V199 WeakPolarHBondContact SD-CG2 3.19Å; I150-V199 HydrophobicContact CD1-CB 4.42Å; I150-V199 HydrophobicContact CD1-CG1 4.01Å; I150-V199 HydrophobicContact CG1-CG1 4.34Å; L189-V199 PolarHBondContact N-O 3.45Å; L189-V199 PolarHBondContact O-N 3.21Å; V199-V201 HydrophobicContact CG1-CG2 4.22Å; V199-F207 HydrophobicContact CG1-CB 4.04Å; V199-F207 HydrophobicContact CG1-CD2 4.03Å; V199-F207 HydrophobicContact CG1-CG 4.46Å; V199-E208 CarbonylContact C-O 2.92Å; V199-E208 WeakPolarHBondContact CA-O 2.93Å; V199-E208 WeakPolarHBondContact CG1-O 3.24Å; V199-R209 HydrophobicContact CG2-CB 4.17Å; V199-R209 HydrophobicContact CG2-CG 4.24Å
200	K	97.6	Very high	92.6	Very high	35 Å²	35	46.7 Å²	46.7	15%	0.152	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.5	170.4	174.5	179.9	177.4	-154.3	0	108.4	E202 F207 E208 I210 H312 L314	K200-E202 HydrophobicContact CD-CG 4.37Å; K200-E202 VanDerWaalsContact CE-OE1 3.26Å; K200-E202 WeakPolarHBondContact CE-OE1 3.38Å; K200-E202 HydrophobicContact CG-CG 4.22Å; K200-E202 IonicContact NZ-OE1 2.73Å; K200-E202 PolarHBondContact NZ-OE1 3.04Å; K200-F207 CarbonylContact O-C 3.48Å; K200-F207 WeakPolarHBondContact O-CA 3.4Å; K200-F207 WeakPolarHBondContact O-CB 3.12Å; K200-E208 PolarHBondContact N-O 2.77Å; K200-E208 PolarHBondContact O-N 2.81Å; K200-I210 HydrophobicContact CB-CD1 3.88Å; K200-I210 HydrophobicContact CB-CG1 4.27Å; K200-I210 HydrophobicContact CB-CG2 4.08Å; K200-H312 HydrophobicContact CD-CB 4.23Å; K200-L314 HydrophobicContact CG-CD1 4.15Å
201	V	97	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.6	178.8	-171.1	0	0	0	0	108.5	I150 F185 P186 Y187 V199 S203 F207	I150-V201 HydrophobicContact CD1-CG2 3.64Å; I150-V201 HydrophobicContact CG1-CG2 4.24Å; I150-V201 HydrophobicContact CG2-CG1 3.9Å; I150-V201 HydrophobicContact CG2-CG2 4.18Å; F185-V201 HydrophobicContact CD1-CG1 3.87Å; F185-V201 HydrophobicContact CE1-CG1 3.63Å; P186-V201 VanDerWaalsContact CA-O 3.26Å; P186-V201 WeakPolarHBondContact CA-O 3.46Å; P186-V201 WeakPolarHBondContact CB-O 3.48Å; Y187-V201 HydrophobicContact CD1-CB 4.09Å; Y187-V201 HydrophobicContact CD1-CG1 4.39Å; Y187-V201 HydrophobicContact CD2-CB 4.15Å; Y187-V201 HydrophobicContact CD2-CG2 4.14Å; Y187-V201 HydrophobicContact CE1-CB 3.78Å; Y187-V201 HydrophobicContact CE1-CG1 3.72Å; Y187-V201 HydrophobicContact CE1-CG2 4.33Å; Y187-V201 HydrophobicContact CE2-CB 3.85Å; Y187-V201 HydrophobicContact CE2-CG1 4.44Å; Y187-V201 HydrophobicContact CE2-CG2 3.57Å; Y187-V201 HydrophobicContact CG-CB 4.28Å; Y187-V201 PolarHBondContact N-O 3.44Å; Y187-V201 PolarHBondContact O-N 3.28Å; V199-V201 HydrophobicContact CG1-CG2 4.22Å; V201-S203 WeakPolarHBondContact CG1-O 3.39Å; V201-F207 HydrophobicContact CB-CB 4.36Å; V201-F207 HydrophobicContact CG1-CB 4.29Å; V201-F207 HydrophobicContact CG2-CB 4.09Å
202	E	95.2	Very high	92.7	Very high	71 Å²	71	47.5 Å²	47.5	33%	0.332	26%	0.26	S	S	.	.			trans	-105.9	-28.3	-176.9	-63.8	-173.3	124.7	0	0	112.6	F185 K200 K206	F185-E202 WeakPolarHBondContact CB-O 3.34Å; K200-E202 HydrophobicContact CD-CG 4.37Å; K200-E202 VanDerWaalsContact CE-OE1 3.26Å; K200-E202 WeakPolarHBondContact CE-OE1 3.38Å; K200-E202 HydrophobicContact CG-CG 4.22Å; K200-E202 IonicContact NZ-OE1 2.73Å; K200-E202 PolarHBondContact NZ-OE1 3.04Å; E202-K206 HydrophobicContact CB-CB 4.42Å; E202-K206 HydrophobicContact CB-CD 4.16Å; E202-K206 HydrophobicContact CB-CG 4.37Å; E202-K206 PolarHBondContact N-O 3.31Å; E202-K206 VanDerWaalsContact OE2-CD 3.27Å; E202-K206 WeakPolarHBondContact OE2-CD 3.49Å; E202-K206 WeakPolarHBondContact OE2-CE 3.49Å; E202-K206 IonicContact OE2-NZ 3.03Å; E202-K206 PolarHBondContact OE2-NZ 2.84Å
203	S	92.5	Very high	92.9	Very high	48 Å²	48	48.7 Å²	48.7	34%	0.336	27%	0.268	S	S	.	.	S	Bend	trans	-157.8	-176.9	172.4	73.2	0	0	0	0	110	F185 V201 D205 K206	F185-S203 VanDerWaalsContact CE1-C 3.5Å; V201-S203 WeakPolarHBondContact CG1-O 3.39Å; S203-D205 VanDerWaalsContact C-N 3.25Å; S203-D205 PolarHBondContact O-N 3.3Å; S203-K206 PolarHBondContact N-O 3.25Å; S203-K206 PolarHBondContact O-N 3.02Å; S203-K206 WeakPolarHBondContact OG-CB 3.31Å; S203-K206 PolarHBondContact OG-N 3.47Å
204	E	86.6	Confident	93.3	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.21	29%	0.289	C	S	.	.	S	Bend	trans	-52.2	-42.4	-179.6	-163	62.3	-132.1	0	0	113.3	N154 K158 F185	N154-E204 VanDerWaalsContact CB-OE1 3.26Å; N154-E204 WeakPolarHBondContact CB-OE1 3.4Å; N154-E204 VanDerWaalsContact ND2-CD 3.28Å; N154-E204 PolarHBondContact ND2-OE1 3.41Å; N154-E204 PolarHBondContact ND2-OE2 3.28Å; K158-E204 IonicContact NZ-OE2 2.83Å; K158-E204 PolarHBondContact NZ-OE2 3.35Å; F185-E204 HydrophobicContact CZ-CB 4.47Å
205	D	86.9	Confident	93.9	Very high	121 Å²	121	51.3 Å²	51.3	65%	0.647	28%	0.277	S	S	*	.	S	Bend	trans	-115.6	4.4	-175.7	-57.5	-61.2	0	0	0	113	K151 S203	K151-D205 IonicContact NZ-OD1 3.67Å; S203-D205 VanDerWaalsContact C-N 3.25Å; S203-D205 PolarHBondContact O-N 3.3Å
206	K	94.5	Very high	94	Very high	120 Å²	120	50 Å²	50	52%	0.522	26%	0.262	S	S	.	.			trans	-116.8	103.3	179.2	-165	-174.2	-175.5	-148.5	0	110.8	E202 S203	E202-K206 HydrophobicContact CB-CB 4.42Å; E202-K206 HydrophobicContact CB-CD 4.16Å; E202-K206 HydrophobicContact CB-CG 4.37Å; E202-K206 PolarHBondContact N-O 3.31Å; E202-K206 VanDerWaalsContact OE2-CD 3.27Å; E202-K206 WeakPolarHBondContact OE2-CD 3.49Å; E202-K206 WeakPolarHBondContact OE2-CE 3.49Å; E202-K206 IonicContact OE2-NZ 3.03Å; E202-K206 PolarHBondContact OE2-NZ 2.84Å; S203-K206 PolarHBondContact N-O 3.25Å; S203-K206 PolarHBondContact O-N 3.02Å; S203-K206 WeakPolarHBondContact OG-CB 3.31Å; S203-K206 PolarHBondContact OG-N 3.47Å
207	F	96.1	Very high	93.8	Very high	59 Å²	59	50 Å²	50	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.1	176.2	59.7	-89.7	0	0	0	111.3	M146 T147 I150 V199 K200 V201	M146-F207 HydrophobicContact CG-CE2 4.21Å; T147-F207 HydrophobicContact CG2-CZ 4.31Å; I150-F207 HydrophobicContact CB-CD1 4.27Å; I150-F207 HydrophobicContact CB-CE1 4.41Å; I150-F207 HydrophobicContact CB-CG 4.47Å; I150-F207 HydrophobicContact CG1-CB 4.38Å; I150-F207 HydrophobicContact CG1-CD1 4.19Å; I150-F207 HydrophobicContact CG1-CD2 3.91Å; I150-F207 HydrophobicContact CG1-CE2 4.23Å; I150-F207 HydrophobicContact CG1-CG 3.9Å; I150-F207 HydrophobicContact CG2-CD1 3.95Å; I150-F207 HydrophobicContact CG2-CE1 4.44Å; I150-F207 HydrophobicContact CG2-CG 4.31Å; V199-F207 HydrophobicContact CG1-CB 4.04Å; V199-F207 HydrophobicContact CG1-CD2 4.03Å; V199-F207 HydrophobicContact CG1-CG 4.46Å; K200-F207 CarbonylContact O-C 3.48Å; K200-F207 WeakPolarHBondContact O-CA 3.4Å; K200-F207 WeakPolarHBondContact O-CB 3.12Å; V201-F207 HydrophobicContact CB-CB 4.36Å; V201-F207 HydrophobicContact CG1-CB 4.29Å; V201-F207 HydrophobicContact CG2-CB 4.09Å
208	E	96.2	Very high	93.5	Very high	124 Å²	124	50.1 Å²	50.1	58%	0.579	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.6	-178.4	-176.6	-178.5	-172.4	0	0	110.6	V199 K200 I210	V199-E208 CarbonylContact C-O 2.92Å; V199-E208 WeakPolarHBondContact CA-O 2.93Å; V199-E208 WeakPolarHBondContact CG1-O 3.24Å; K200-E208 PolarHBondContact N-O 2.77Å; K200-E208 PolarHBondContact O-N 2.81Å; E208-I210 HydrophobicContact CB-CG2 4.15Å; E208-I210 HydrophobicContact CG-CG2 3.91Å; E208-I210 PolarHBondContact O-N 2.83Å
209	R	95.7	Very high	93.3	Very high	138 Å²	138	51.9 Å²	51.9	52%	0.521	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	90.1	169.6	-174.5	-176.5	177.6	-79.3	0.6	109.7	S197 I198 V199 G211	S197-R209 PolarHBondContact OG-NE 2.75Å; I198-R209 CarbonylContact O-C 3.51Å; V199-R209 HydrophobicContact CG2-CB 4.17Å; V199-R209 HydrophobicContact CG2-CG 4.24Å; R209-G211 VanDerWaalsContact C-N 3.35Å; R209-G211 VanDerWaalsContact CZ-O 3.29Å; R209-G211 PolarHBondContact NH2-O 3.41Å
210	I	96.6	Very high	93	Very high	28 Å²	28	51.9 Å²	51.9	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-14.7	-177.6	56.6	168.4	0	0	0	113.7	L188 I198 K200 E208 Y308 H312	L188-I210 HydrophobicContact CD1-CD1 3.73Å; L188-I210 HydrophobicContact CD1-CG1 4.46Å; I198-I210 HydrophobicContact CG2-CD1 4.32Å; I198-I210 HydrophobicContact CG2-CG1 4.09Å; I198-I210 PolarHBondContact O-N 2.86Å; I198-I210 VanDerWaalsContact O-N 3.09Å; K200-I210 HydrophobicContact CB-CD1 3.88Å; K200-I210 HydrophobicContact CB-CG1 4.27Å; K200-I210 HydrophobicContact CB-CG2 4.08Å; E208-I210 HydrophobicContact CB-CG2 4.15Å; E208-I210 HydrophobicContact CG-CG2 3.91Å; E208-I210 PolarHBondContact O-N 2.83Å; I210-Y308 HydrophobicContact CB-CD1 4.43Å; I210-Y308 HydrophobicContact CB-CE1 4.46Å; I210-Y308 HydrophobicContact CD1-CD1 3.73Å; I210-Y308 HydrophobicContact CD1-CG 4.19Å; I210-Y308 HydrophobicContact CG1-CD1 4.05Å; I210-Y308 HydrophobicContact CG1-CE1 4.43Å; I210-Y308 WeakPolarHBondContact O-CE1 3.48Å; I210-H312 WeakPolarHBondContact CD1-CD2 3.21Å; I210-H312 WeakPolarHBondContact CD1-NE2 3.31Å
211	G	95.1	Very high	92.6	Very high	6 Å²	6	54.8 Å²	54.8	6%	0.062	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	-176.8	-178.3	0	0	0	0	0	115.3	I198 R209 Y308	I198-G211 PolarHBondContact N-O 3.18Å; I198-G211 PolarHBondContact O-N 2.99Å; I198-G211 VanDerWaalsContact O-N 3.16Å; R209-G211 VanDerWaalsContact C-N 3.35Å; R209-G211 VanDerWaalsContact CZ-O 3.29Å; R209-G211 PolarHBondContact NH2-O 3.41Å; G211-Y308 WeakPolarHBondContact CA-OH 3.48Å
212	G	93.8	Very high	92.3	Very high	29 Å²	29	56.6 Å²	56.6	30%	0.299	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	174	173.3	0	0	0	0	0	112.6	V196	V196-G212 CarbonylContact O-C 3.54Å; V196-G212 WeakPolarHBondContact O-CA 3.04Å
213	S	94.8	Very high	92.3	Very high	25 Å²	25	56.6 Å²	56.6	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.1	178	-178.7	0	0	0	0	109.9	V196 I215	V196-S213 PolarHBondContact N-O 2.97Å; V196-S213 PolarHBondContact O-N 3.12Å; S213-I215 WeakPolarHBondContact OG-CB 3.38Å; S213-I215 PolarHBondContact OG-N 2.94Å
214	S	92.4	Very high	92.4	Very high	102 Å²	102	54.3 Å²	54.3	71%	0.713	30%	0.295	S	S	*	.	S	Bend	trans	-77.8	-6.7	167.9	58.6	0	0	0	0	112.2	G216 T219	S214-G216 PolarHBondContact O-N 3.21Å; S214-T219 PolarHBondContact O-OG1 2.91Å
215	I	93.4	Very high	92.6	Very high	62 Å²	62	53.7 Å²	53.7	32%	0.318	30%	0.298	S	S	.	.			trans	-92.2	87.9	179.4	-54.4	176.9	0	0	0	108.2	V196 S213 T219 I297	V196-I215 WeakPolarHBondContact CG2-O 3.5Å; S213-I215 WeakPolarHBondContact OG-CB 3.38Å; S213-I215 PolarHBondContact OG-N 2.94Å; I215-T219 HydrophobicContact CG2-CG2 4.36Å; I215-I297 HydrophobicContact CG2-CB 4.4Å; I215-I297 HydrophobicContact CG2-CD1 4.49Å; I215-I297 HydrophobicContact CG2-CG1 3.79Å; I215-I297 HydrophobicContact CG2-CG2 4.27Å
216	G	90.3	Very high	92.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-131.6	-154.1	179.8	0	0	0	0	0	112.8	S194 S214 G218 T219 F220	S194-G216 CarbonylContact O-C 3.57Å; S214-G216 PolarHBondContact O-N 3.21Å; G216-G218 VanDerWaalsContact C-N 3.27Å; G216-G218 PolarHBondContact O-N 3.16Å; G216-T219 PolarHBondContact N-OG1 3.43Å; G216-T219 WeakPolarHBondContact O-CB 3.32Å; G216-T219 PolarHBondContact O-N 2.86Å; G216-T219 VanDerWaalsContact O-N 3.15Å; G216-F220 PolarHBondContact O-N 3Å; G216-F220 VanDerWaalsContact O-N 3.08Å
217	G	87.6	Confident	92.9	Very high	7 Å²	7	52 Å²	52	7%	0.072	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-28.4	-179.3	0	0	0	0	0	113.9	G193 T219 F220 W221	G193-G217 WeakPolarHBondContact O-CA 3.39Å; G193-G217 PolarHBondContact O-N 3.44Å; G217-T219 VanDerWaalsContact C-N 3.35Å; G217-F220 PolarHBondContact O-N 2.95Å; G217-W221 WeakPolarHBondContact O-CB 3.35Å; G217-W221 PolarHBondContact O-N 2.91Å
218	G	87.1	Confident	92.6	Very high	30 Å²	30	49.5 Å²	49.5	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-67.3	-37.5	173.8	0	0	0	0	0	112.1	S194 G216 W221 G222	S194-G218 WeakPolarHBondContact O-CA 3.46Å; S194-G218 PolarHBondContact O-N 3.35Å; G216-G218 VanDerWaalsContact C-N 3.27Å; G216-G218 PolarHBondContact O-N 3.16Å; G218-W221 PolarHBondContact O-N 2.98Å; G218-G222 PolarHBondContact O-N 3.43Å
219	T	92.3	Very high	92.2	Very high	39 Å²	39	52.5 Å²	52.5	24%	0.239	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-42.3	176	-50.1	0	0	0	0	111.1	S214 I215 G216 G217 W221 G222 L223 I297	S214-T219 PolarHBondContact O-OG1 2.91Å; I215-T219 HydrophobicContact CG2-CG2 4.36Å; G216-T219 PolarHBondContact N-OG1 3.43Å; G216-T219 WeakPolarHBondContact O-CB 3.32Å; G216-T219 PolarHBondContact O-N 2.86Å; G216-T219 VanDerWaalsContact O-N 3.15Å; G217-T219 VanDerWaalsContact C-N 3.35Å; T219-W221 PolarHBondContact O-N 2.91Å; T219-G222 PolarHBondContact O-N 2.82Å; T219-L223 HydrophobicContact CG2-CD1 3.89Å; T219-L223 HydrophobicContact CG2-CG 4.32Å; T219-L223 WeakPolarHBondContact O-CB 3.44Å; T219-L223 PolarHBondContact O-N 3.29Å; T219-I297 HydrophobicContact CG2-CD1 4.45Å
220	F	91.6	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.2	-49.7	172.6	177.5	-107.5	0	0	0	111.2	G216 G217 G224 F233 L236 L237 L293 L294 I297 F323	G216-F220 PolarHBondContact O-N 3Å; G216-F220 VanDerWaalsContact O-N 3.08Å; G217-F220 PolarHBondContact O-N 2.95Å; F220-G224 WeakPolarHBondContact O-CA 3.26Å; F220-G224 PolarHBondContact O-N 2.82Å; F220-F233 HydrophobicContact CD1-CD2 4.29Å; F220-F233 AromaticContact CD1-CE2 3.71Å; F220-F233 HydrophobicContact CD1-CE2 3.71Å; F220-F233 HydrophobicContact CD1-CZ 4.35Å; F220-F233 HydrophobicContact CE1-CE2 4.27Å; F220-L236 HydrophobicContact CD1-CD2 3.69Å; F220-L236 HydrophobicContact CD1-CG 4.46Å; F220-L236 HydrophobicContact CD2-CD2 4.46Å; F220-L236 HydrophobicContact CE1-CB 4.24Å; F220-L236 HydrophobicContact CE1-CD2 3.34Å; F220-L236 HydrophobicContact CE1-CG 3.63Å; F220-L236 HydrophobicContact CE2-CD2 4.15Å; F220-L236 HydrophobicContact CE2-CG 4.31Å; F220-L236 HydrophobicContact CG-CD2 4.25Å; F220-L236 HydrophobicContact CZ-CB 4.45Å; F220-L236 HydrophobicContact CZ-CD2 3.61Å; F220-L236 HydrophobicContact CZ-CG 3.54Å; F220-L236 WeakPolarHBondContact O-CD2 3.47Å; F220-L237 HydrophobicContact CD1-CD2 4.44Å; F220-L237 HydrophobicContact CE1-CD2 3.48Å; F220-L237 VanDerWaalsContact CE1-CD2 3.48Å; F220-L237 HydrophobicContact CE1-CG 3.78Å; F220-L237 HydrophobicContact CZ-CD2 3.64Å; F220-L237 HydrophobicContact CZ-CG 4.25Å; F220-L293 HydrophobicContact CD2-CB 4.36Å; F220-L293 HydrophobicContact CD2-CD2 3.83Å; F220-L293 HydrophobicContact CD2-CG 3.84Å; F220-L293 HydrophobicContact CE2-CB 4.34Å; F220-L293 HydrophobicContact CE2-CD2 4.19Å; F220-L293 HydrophobicContact CE2-CG 4.28Å; F220-L293 WeakPolarHBondContact O-CD2 3.22Å; F220-L294 HydrophobicContact CD2-CB 4.4Å; F220-L294 HydrophobicContact CD2-CD1 4.39Å; F220-L294 HydrophobicContact CE2-CB 3.72Å; F220-L294 HydrophobicContact CE2-CD1 4.08Å; F220-L294 HydrophobicContact CE2-CG 4.48Å; F220-L294 HydrophobicContact CZ-CB 4.35Å; F220-L294 HydrophobicContact CZ-CD1 4.29Å; F220-I297 HydrophobicContact CB-CD1 3.52Å; F220-I297 HydrophobicContact CD2-CD1 4.2Å; F220-I297 HydrophobicContact CG-CD1 4.37Å; F220-F323 HydrophobicContact CB-CD2 4.46Å; F220-F323 HydrophobicContact CB-CE2 3.63Å; F220-F323 HydrophobicContact CB-CZ 4.36Å; F220-F323 AromaticContact CD1-CE2 3.84Å; F220-F323 HydrophobicContact CD1-CE2 3.84Å; F220-F323 HydrophobicContact CD2-CE2 4.4Å; F220-F323 AromaticContact CG-CE2 3.69Å; F220-F323 HydrophobicContact CG-CE2 3.69Å; F220-F323 HydrophobicContact CG-CZ 4.4Å
221	W	89.3	Confident	91	Very high	96 Å²	96	53.9 Å²	53.9	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-47.3	-179.3	-169.4	15.3	0	0	0	112.3	G217 G218 T219 A225 K231 F233	G217-W221 WeakPolarHBondContact O-CB 3.35Å; G217-W221 PolarHBondContact O-N 2.91Å; G218-W221 PolarHBondContact O-N 2.98Å; T219-W221 PolarHBondContact O-N 2.91Å; W221-A225 VanDerWaalsContact O-CB 3.29Å; W221-A225 WeakPolarHBondContact O-CB 3.4Å; W221-A225 PolarHBondContact O-N 3.01Å; W221-K231 WeakPolarHBondContact CZ2-O 3.49Å; W221-K231 PolarHBondContact NE1-O 3.18Å; W221-F233 HydrophobicContact CB-CD2 3.96Å; W221-F233 HydrophobicContact CG-CD2 4.1Å
222	G	91.1	Very high	90.3	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-51.8	-177.6	0	0	0	0	0	112.6	G218 T219 A225 L226	G218-G222 PolarHBondContact O-N 3.43Å; T219-G222 PolarHBondContact O-N 2.82Å; G222-A225 PolarHBondContact O-N 2.9Å; G222-L226 WeakPolarHBondContact O-CG 3.49Å; G222-L226 PolarHBondContact O-N 3.4Å
223	L	94.8	Very high	89.6	Confident	70 Å²	70	59.9 Å²	59.9	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-39.8	178.4	-68.3	-179.5	0	0	0	111.5	T219 A225 L226 L227 L293	T219-L223 HydrophobicContact CG2-CD1 3.89Å; T219-L223 HydrophobicContact CG2-CG 4.32Å; T219-L223 WeakPolarHBondContact O-CB 3.44Å; T219-L223 PolarHBondContact O-N 3.29Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 3.11Å; L223-L226 HydrophobicContact CD2-CD1 4.36Å; L223-L226 WeakPolarHBondContact O-CB 3.3Å; L223-L226 PolarHBondContact O-N 3.41Å; L223-L226 VanDerWaalsContact O-N 3.12Å; L223-L227 WeakPolarHBondContact O-CB 3.35Å; L223-L227 VanDerWaalsContact O-CG 3.27Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 2.96Å; L223-L293 HydrophobicContact CB-CD1 4Å; L223-L293 HydrophobicContact CB-CD2 3.88Å; L223-L293 HydrophobicContact CD1-CD1 3.98Å
224	G	93.5	Very high	88.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-41.7	176.2	0	0	0	0	0	111.8	F220 L226 L227 T228 L293	F220-G224 WeakPolarHBondContact O-CA 3.26Å; F220-G224 PolarHBondContact O-N 2.82Å; G224-L226 VanDerWaalsContact C-N 3.3Å; G224-L226 PolarHBondContact O-N 2.68Å; G224-L227 PolarHBondContact O-N 2.75Å; G224-T228 PolarHBondContact O-N 3.43Å; G224-T228 PolarHBondContact O-OG1 3.46Å; G224-L293 VanDerWaalsContact N-CD2 3.29Å
225	A	91.9	Very high	88.4	Confident	32 Å²	32	59.9 Å²	59.9	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-35.9	174.9	0	0	0	0	0	113.1	W221 G222 L223 K229 T230	W221-A225 VanDerWaalsContact O-CB 3.29Å; W221-A225 WeakPolarHBondContact O-CB 3.4Å; W221-A225 PolarHBondContact O-N 3.01Å; G222-A225 PolarHBondContact O-N 2.9Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 3.11Å; A225-K229 WeakPolarHBondContact O-CA 3.4Å; A225-K229 PolarHBondContact O-N 3.36Å; A225-T230 WeakPolarHBondContact CA-O 3.32Å; A225-T230 WeakPolarHBondContact CB-O 3.48Å
226	L	93.8	Very high	88.1	Confident	139 Å²	139	56.9 Å²	56.9	73%	0.728	29%	0.289	S	S	*	.	H	α-helix	trans	-70.3	-42.1	174.9	-67.7	172.6	0	0	0	112	G222 L223 G224	G222-L226 WeakPolarHBondContact O-CG 3.49Å; G222-L226 PolarHBondContact O-N 3.4Å; L223-L226 HydrophobicContact CD2-CD1 4.36Å; L223-L226 WeakPolarHBondContact O-CB 3.3Å; L223-L226 PolarHBondContact O-N 3.41Å; L223-L226 VanDerWaalsContact O-N 3.12Å; G224-L226 VanDerWaalsContact C-N 3.3Å; G224-L226 PolarHBondContact O-N 2.68Å
227	L	92.9	Very high	87.7	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-75.3	-42.2	-175.7	-68.4	171.9	0	0	0	112.7	L223 G224 F274 M289 L293	L223-L227 WeakPolarHBondContact O-CB 3.35Å; L223-L227 VanDerWaalsContact O-CG 3.27Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 2.96Å; G224-L227 PolarHBondContact O-N 2.75Å; L227-F274 HydrophobicContact CD1-CE1 4Å; L227-F274 HydrophobicContact CD1-CZ 4.02Å; L227-M289 HydrophobicContact CB-SD 4.46Å; L227-M289 HydrophobicContact CD2-SD 4.39Å; L227-L293 HydrophobicContact CD1-CD2 4.39Å
228	T	91.6	Very high	87.5	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.049	31%	0.306	C	S	.	.	H	α-helix	trans	-108	-8.5	-171.8	74.3	0	0	0	0	113.8	G224 T230 L236 L239 N286 A290	G224-T228 PolarHBondContact O-N 3.43Å; G224-T228 PolarHBondContact O-OG1 3.46Å; T228-T230 PolarHBondContact O-N 3.02Å; T228-T230 WeakPolarHBondContact OG1-CB 3.48Å; T228-T230 PolarHBondContact OG1-N 3.06Å; T228-T230 PolarHBondContact OG1-OG1 3.24Å; T228-L236 HydrophobicContact CG2-CD1 4.02Å; T228-L239 HydrophobicContact CG2-CD1 4.22Å; T228-N286 HydrophobicContact CG2-CB 3.98Å; T228-N286 WeakPolarHBondContact CG2-O 3.47Å; T228-A290 HydrophobicContact CG2-CB 4.32Å
229	K	87.9	Confident	87.5	Confident	186 Å²	186	61 Å²	61	81%	0.809	30%	0.299	S	S	*	.			trans	64.8	10.3	-171.1	-52.8	174.9	-177.5	171.8	0	114.3	A225	A225-K229 WeakPolarHBondContact O-CA 3.4Å; A225-K229 PolarHBondContact O-N 3.36Å
230	T	85.6	Confident	87.3	Confident	19 Å²	19	59.1 Å²	59.1	12%	0.117	29%	0.288	C	S	.	.			trans	-79.1	129.7	178.3	-55.8	0	0	0	0	111	A225 T228 R232 E235 L236 L239	A225-T230 WeakPolarHBondContact CA-O 3.32Å; A225-T230 WeakPolarHBondContact CB-O 3.48Å; T228-T230 PolarHBondContact O-N 3.02Å; T228-T230 WeakPolarHBondContact OG1-CB 3.48Å; T228-T230 PolarHBondContact OG1-N 3.06Å; T228-T230 PolarHBondContact OG1-OG1 3.24Å; T230-R232 WeakPolarHBondContact CG2-O 3.34Å; T230-E235 HydrophobicContact CG2-CB 3.41Å; T230-E235 VanDerWaalsContact CG2-CB 3.41Å; T230-E235 WeakPolarHBondContact CG2-OE2 3.38Å; T230-L236 HydrophobicContact CG2-CB 4.38Å; T230-L239 WeakPolarHBondContact OG1-CD1 3.42Å
231	K	80.4	Confident	87	Confident	176 Å²	176	61.4 Å²	61.4	77%	0.765	30%	0.304	S	S	*	.			trans	-97.6	-15.3	-178.2	-65.9	-171.1	178.7	-177.2	0	114.2	W221	W221-K231 WeakPolarHBondContact CZ2-O 3.49Å; W221-K231 PolarHBondContact NE1-O 3.18Å
232	R	81.1	Confident	86.9	Confident	138 Å²	138	63 Å²	63	52%	0.521	31%	0.314	S	S	.	.			trans	-101.8	135.7	-179.6	-62.3	-174.5	66.5	169.8	3.6	111.4	T230 D234 E235 L236	T230-R232 WeakPolarHBondContact CG2-O 3.34Å; R232-D234 PolarHBondContact O-N 3.22Å; R232-E235 HydrophobicContact CB-CB 4.11Å; R232-E235 HydrophobicContact CB-CG 3.88Å; R232-E235 WeakPolarHBondContact CD-OE1 3.28Å; R232-E235 PolarHBondContact O-N 3.29Å; R232-L236 PolarHBondContact O-N 3.28Å
233	F	79.5	Confident	86.8	Confident	23 Å²	23	61.4 Å²	61.4	10%	0.101	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-46.8	179.3	-176.2	-98.2	0	0	0	112.5	F220 W221 E235 L236 L237 F322 F323	F220-F233 HydrophobicContact CD1-CD2 4.29Å; F220-F233 AromaticContact CD1-CE2 3.71Å; F220-F233 HydrophobicContact CD1-CE2 3.71Å; F220-F233 HydrophobicContact CD1-CZ 4.35Å; F220-F233 HydrophobicContact CE1-CE2 4.27Å; W221-F233 HydrophobicContact CB-CD2 3.96Å; W221-F233 HydrophobicContact CG-CD2 4.1Å; F233-E235 VanDerWaalsContact C-N 3.34Å; F233-E235 PolarHBondContact O-N 3.17Å; F233-L236 WeakPolarHBondContact O-CB 3.43Å; F233-L236 PolarHBondContact O-N 2.6Å; F233-L236 VanDerWaalsContact O-N 3.17Å; F233-L237 HydrophobicContact CD1-CD1 3.82Å; F233-L237 HydrophobicContact CE1-CD1 3.28Å; F233-L237 HydrophobicContact CE1-CG 4.25Å; F233-L237 HydrophobicContact CZ-CD1 3.79Å; F233-L237 HydrophobicContact CZ-CG 4.48Å; F233-L237 PolarHBondContact O-N 3.29Å; F233-L237 VanDerWaalsContact O-N 3.09Å; F233-F322 AromaticContact CD1-CE1 3.89Å; F233-F322 HydrophobicContact CD1-CE1 3.89Å; F233-F322 HydrophobicContact CE1-CD1 4.28Å; F233-F322 AromaticContact CE1-CE1 3.95Å; F233-F322 HydrophobicContact CE1-CE1 3.95Å; F233-F323 HydrophobicContact CE2-CD2 4.24Å; F233-F323 AromaticContact CZ-CD2 3.9Å; F233-F323 HydrophobicContact CZ-CD2 3.9Å
234	D	78.4	Confident	86.6	Confident	44 Å²	44	64 Å²	64	24%	0.235	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-34.1	-178.2	-59.8	-30.2	0	0	0	113.1	R232 L236 L237 Q238	R232-D234 PolarHBondContact O-N 3.22Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L237 PolarHBondContact O-N 3.3Å; D234-Q238 WeakPolarHBondContact O-CB 3.38Å; D234-Q238 PolarHBondContact O-N 2.81Å
235	E	83.1	Confident	86.5	Confident	83 Å²	83	65.8 Å²	65.8	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-40.2	174.4	-70.8	176.9	178.6	0	0	110.5	T230 R232 F233 L237 Q238 L239	T230-E235 HydrophobicContact CG2-CB 3.41Å; T230-E235 VanDerWaalsContact CG2-CB 3.41Å; T230-E235 WeakPolarHBondContact CG2-OE2 3.38Å; R232-E235 HydrophobicContact CB-CB 4.11Å; R232-E235 HydrophobicContact CB-CG 3.88Å; R232-E235 WeakPolarHBondContact CD-OE1 3.28Å; R232-E235 PolarHBondContact O-N 3.29Å; F233-E235 VanDerWaalsContact C-N 3.34Å; F233-E235 PolarHBondContact O-N 3.17Å; E235-L237 PolarHBondContact O-N 3.3Å; E235-Q238 WeakPolarHBondContact O-CB 3.41Å; E235-Q238 PolarHBondContact O-N 3.12Å; E235-L239 WeakPolarHBondContact O-CG 3.38Å; E235-L239 PolarHBondContact O-N 3.03Å
236	L	85.8	Confident	86.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-39.8	177.2	-177.3	66.1	0	0	0	111.8	F220 T228 T230 R232 F233 D234 Q238 L239 A240 A290	F220-L236 HydrophobicContact CD1-CD2 3.69Å; F220-L236 HydrophobicContact CD1-CG 4.46Å; F220-L236 HydrophobicContact CD2-CD2 4.46Å; F220-L236 HydrophobicContact CE1-CB 4.24Å; F220-L236 HydrophobicContact CE1-CD2 3.34Å; F220-L236 HydrophobicContact CE1-CG 3.63Å; F220-L236 HydrophobicContact CE2-CD2 4.15Å; F220-L236 HydrophobicContact CE2-CG 4.31Å; F220-L236 HydrophobicContact CG-CD2 4.25Å; F220-L236 HydrophobicContact CZ-CB 4.45Å; F220-L236 HydrophobicContact CZ-CD2 3.61Å; F220-L236 HydrophobicContact CZ-CG 3.54Å; F220-L236 WeakPolarHBondContact O-CD2 3.47Å; T228-L236 HydrophobicContact CG2-CD1 4.02Å; T230-L236 HydrophobicContact CG2-CB 4.38Å; R232-L236 PolarHBondContact O-N 3.28Å; F233-L236 WeakPolarHBondContact O-CB 3.43Å; F233-L236 PolarHBondContact O-N 2.6Å; F233-L236 VanDerWaalsContact O-N 3.17Å; D234-L236 VanDerWaalsContact C-N 3.33Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-L239 WeakPolarHBondContact O-CB 3.42Å; L236-L239 PolarHBondContact O-N 2.66Å; L236-A240 WeakPolarHBondContact O-CB 3.48Å; L236-A240 PolarHBondContact O-N 3.05Å; L236-A290 HydrophobicContact CD1-CB 3.89Å
237	L	82.4	Confident	86.3	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-67.7	-32.8	173.4	-71.6	173.8	0	0	0	112.7	F220 F233 D234 E235 A240 S241 L294 H327	F220-L237 HydrophobicContact CD1-CD2 4.44Å; F220-L237 HydrophobicContact CE1-CD2 3.48Å; F220-L237 VanDerWaalsContact CE1-CD2 3.48Å; F220-L237 HydrophobicContact CE1-CG 3.78Å; F220-L237 HydrophobicContact CZ-CD2 3.64Å; F220-L237 HydrophobicContact CZ-CG 4.25Å; F233-L237 HydrophobicContact CD1-CD1 3.82Å; F233-L237 HydrophobicContact CE1-CD1 3.28Å; F233-L237 HydrophobicContact CE1-CG 4.25Å; F233-L237 HydrophobicContact CZ-CD1 3.79Å; F233-L237 HydrophobicContact CZ-CG 4.48Å; F233-L237 PolarHBondContact O-N 3.29Å; F233-L237 VanDerWaalsContact O-N 3.09Å; D234-L237 PolarHBondContact O-N 3.3Å; E235-L237 PolarHBondContact O-N 3.3Å; L237-A240 PolarHBondContact O-N 3.29Å; L237-S241 PolarHBondContact O-N 3.2Å; L237-L294 HydrophobicContact CD2-CD1 4.04Å; L237-L294 HydrophobicContact CD2-CD2 4.29Å; L237-H327 WeakPolarHBondContact CD1-CD2 3.29Å; L237-H327 WeakPolarHBondContact CD1-CE1 3.39Å; L237-H327 WeakPolarHBondContact CD1-NE2 3.18Å
238	Q	82.7	Confident	86.4	Confident	79 Å²	79	58 Å²	58	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-69.4	-34.4	173.8	-169.6	179.6	7	0	0	112.4	D234 E235 L236 S241	D234-Q238 WeakPolarHBondContact O-CB 3.38Å; D234-Q238 PolarHBondContact O-N 2.81Å; E235-Q238 WeakPolarHBondContact O-CB 3.41Å; E235-Q238 PolarHBondContact O-N 3.12Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; Q238-S241 PolarHBondContact O-OG 3.45Å
239	L	88.9	Confident	86.5	Confident	32 Å²	32	57.7 Å²	57.7	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-47.2	169	-70.1	173.6	0	0	0	110.1	T228 T230 E235 L236 S241 K242 G243 N286 E287 A290	T228-L239 HydrophobicContact CG2-CD1 4.22Å; T230-L239 WeakPolarHBondContact OG1-CD1 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.38Å; E235-L239 PolarHBondContact O-N 3.03Å; L236-L239 WeakPolarHBondContact O-CB 3.42Å; L236-L239 PolarHBondContact O-N 2.66Å; L239-S241 PolarHBondContact O-N 2.96Å; L239-K242 PolarHBondContact O-N 3.41Å; L239-K242 VanDerWaalsContact O-N 3.09Å; L239-G243 PolarHBondContact O-N 2.91Å; L239-N286 HydrophobicContact CD1-CB 4.41Å; L239-E287 HydrophobicContact CB-CG 4.49Å; L239-E287 HydrophobicContact CD2-CG 3.85Å; L239-A290 HydrophobicContact CB-CB 3.85Å
240	A	88.1	Confident	86.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-28.2	179.4	0	0	0	0	0	112.8	L236 L237 K242 A290 K291 L294	L236-A240 WeakPolarHBondContact O-CB 3.48Å; L236-A240 PolarHBondContact O-N 3.05Å; L237-A240 PolarHBondContact O-N 3.29Å; A240-K242 VanDerWaalsContact C-N 3.29Å; A240-K242 PolarHBondContact O-N 2.63Å; A240-A290 HydrophobicContact CB-CB 4.01Å; A240-K291 WeakPolarHBondContact O-CD 3.48Å; A240-L294 HydrophobicContact CB-CB 4.26Å; A240-L294 HydrophobicContact CB-CD2 3.88Å
241	S	83.6	Confident	87.2	Confident	49 Å²	49	51 Å²	51	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-73.2	-21	177.6	70.4	0	0	0	0	113.7	L237 Q238 L239	L237-S241 PolarHBondContact O-N 3.2Å; Q238-S241 PolarHBondContact O-OG 3.45Å; L239-S241 PolarHBondContact O-N 2.96Å
242	K	88.1	Confident	87.8	Confident	130 Å²	130	42.8 Å²	42.8	57%	0.565	21%	0.21	S	C	*	.	H	α-helix	trans	-98.5	-17.2	-178.6	-63.3	176.9	-177.9	-179.7	0	113.8	L239 A240 E287	L239-K242 PolarHBondContact O-N 3.41Å; L239-K242 VanDerWaalsContact O-N 3.09Å; A240-K242 VanDerWaalsContact C-N 3.29Å; A240-K242 PolarHBondContact O-N 2.63Å; K242-E287 HydrophobicContact CB-CG 4.16Å
243	G	88.9	Confident	88.5	Confident	5 Å²	5	40.2 Å²	40.2	5%	0.052	20%	0.203	C	C	.	.			trans	-79.7	161.5	-174.3	0	0	0	0	0	115.3	L239 E287 K291	L239-G243 PolarHBondContact O-N 2.91Å; G243-E287 WeakPolarHBondContact CA-O 3.29Å; G243-K291 WeakPolarHBondContact O-CD 3.48Å; G243-K291 WeakPolarHBondContact O-CG 3.21Å
244	Q	90.3	Very high	89.1	Confident	124 Å²	124	42.9 Å²	42.9	58%	0.579	22%	0.218	S	C	*	.			trans	-115.3	110.8	173.4	-68.2	-67.6	-14.2	0	0	109.9	S246 S247 D288	Q244-S246 VanDerWaalsContact C-N 3.29Å; Q244-S246 PolarHBondContact O-N 3.47Å; Q244-S247 PolarHBondContact O-OG 3.05Å; Q244-D288 PolarHBondContact N-OD1 3.44Å; Q244-D288 WeakPolarHBondContact O-CB 3.33Å; Q244-D288 VanDerWaalsContact O-CG 3.27Å
245	H	91.4	Very high	89.7	Confident	38 Å²	38	44.9 Å²	44.9	18%	0.176	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-69.9	-26.2	-175.5	76.5	99.5	0	0	0	113.2	S247 V248 D249 K291 H295	H245-S247 PolarHBondContact O-N 3.1Å; H245-S247 VanDerWaalsContact O-N 3.14Å; H245-V248 PolarHBondContact O-N 3.36Å; H245-D249 WeakPolarHBondContact CB-OD2 3.43Å; H245-D249 IonicContact CG-OD2 2.69Å; H245-D249 IonicContact ND1-OD2 3.16Å; H245-D249 PolarHBondContact ND1-OD2 3.07Å; H245-D249 WeakPolarHBondContact O-CB 3.05Å; H245-D249 PolarHBondContact O-N 3.24Å; H245-K291 HydrophobicContact CB-CB 4.49Å; H245-K291 HydrophobicContact CB-CG 3.81Å; H245-H295 AromaticContact CD2-CE1 3.42Å; H245-H295 PolarHBondContact CD2-CE1 3.21Å; H245-H295 VanDerWaalsContact CD2-CE1 3.42Å; H245-H295 AromaticContact CD2-ND1 3.45Å; H245-H295 PolarHBondContact CD2-ND1 3.48Å; H245-H295 AromaticContact CE1-ND1 3.99Å; H245-H295 AromaticContact CG-CE1 3.81Å; H245-H295 AromaticContact CG-ND1 3.37Å; H245-H295 AromaticContact ND1-ND1 3.72Å; H245-H295 AromaticContact NE2-CE1 3.87Å; H245-H295 AromaticContact NE2-ND1 3.84Å
246	S	92.2	Very high	90.1	Very high	51 Å²	51	47.3 Å²	47.3	36%	0.357	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66	-15.7	-176.4	60.6	0	0	0	0	114.1	Q244 K276	Q244-S246 VanDerWaalsContact C-N 3.29Å; Q244-S246 PolarHBondContact O-N 3.47Å; S246-K276 PolarHBondContact O-NZ 2.93Å
247	S	90.1	Very high	90.4	Very high	23 Å²	23	50.9 Å²	50.9	16%	0.161	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-76	-29.3	172.8	67.9	0	0	0	0	112	Q244 H245 K276 F284 D288	Q244-S247 PolarHBondContact O-OG 3.05Å; H245-S247 PolarHBondContact O-N 3.1Å; H245-S247 VanDerWaalsContact O-N 3.14Å; S247-K276 WeakPolarHBondContact O-CD 3.48Å; S247-F284 WeakPolarHBondContact O-CE1 3.38Å; S247-D288 WeakPolarHBondContact CB-OD2 3.31Å; S247-D288 WeakPolarHBondContact OG-CB 3.4Å; S247-D288 PolarHBondContact OG-OD2 3.15Å
248	V	93.9	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-40.6	-173.3	174.8	0	0	0	0	111.9	H245 F274 K276 F284 D288 M289	H245-V248 PolarHBondContact O-N 3.36Å; V248-F274 HydrophobicContact CG1-CB 4.37Å; V248-F274 HydrophobicContact CG1-CD1 3.45Å; V248-F274 VanDerWaalsContact CG1-CD1 3.45Å; V248-F274 HydrophobicContact CG1-CE1 3.84Å; V248-F274 HydrophobicContact CG1-CG 3.99Å; V248-F274 CarbonylContact O-C 3.54Å; V248-F274 WeakPolarHBondContact O-CA 3.41Å; V248-K276 WeakPolarHBondContact O-CB 3.41Å; V248-K276 PolarHBondContact O-N 2.88Å; V248-K276 VanDerWaalsContact O-N 3.12Å; V248-F284 HydrophobicContact CB-CD1 4.37Å; V248-F284 HydrophobicContact CG2-CB 3.98Å; V248-F284 HydrophobicContact CG2-CD1 3.51Å; V248-F284 HydrophobicContact CG2-CE1 4.22Å; V248-F284 HydrophobicContact CG2-CG 3.86Å; V248-D288 HydrophobicContact CG2-CB 3.77Å; V248-M289 HydrophobicContact CG2-CG 4.35Å
249	D	94.8	Very high	91.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-81.4	144.3	-178.3	-65.7	-29.1	0	0	0	112.3	H245 L251 I270 S273 F274 K276 S292	H245-D249 WeakPolarHBondContact CB-OD2 3.43Å; H245-D249 IonicContact CG-OD2 2.69Å; H245-D249 IonicContact ND1-OD2 3.16Å; H245-D249 PolarHBondContact ND1-OD2 3.07Å; H245-D249 WeakPolarHBondContact O-CB 3.05Å; H245-D249 PolarHBondContact O-N 3.24Å; D249-L251 HydrophobicContact CB-CD2 4.31Å; D249-I270 HydrophobicContact CB-CG1 4.32Å; D249-I270 HydrophobicContact CB-CG2 4.22Å; D249-I270 WeakPolarHBondContact OD2-CD1 3.38Å; D249-S273 WeakPolarHBondContact OD1-CA 3.49Å; D249-F274 PolarHBondContact OD1-N 3.29Å; D249-K276 WeakPolarHBondContact O-CD 3.45Å; D249-K276 WeakPolarHBondContact O-CE 3.44Å; D249-K276 PolarHBondContact O-NZ 2.97Å; D249-S292 WeakPolarHBondContact OD1-CB 3.46Å; D249-S292 PolarHBondContact OD1-OG 3.03Å
250	M	93.9	Very high	91.3	Very high	60 Å²	60	53.8 Å²	53.8	30%	0.296	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.2	167.8	-179.1	167.4	58	0	0	109.3	D254 I255 A271 S272 K276	M250-D254 HydrophobicContact CG-CB 4.2Å; M250-I255 HydrophobicContact CE-CD1 4.21Å; M250-I255 HydrophobicContact CG-CD1 4.29Å; M250-I255 HydrophobicContact CG-CG1 4.08Å; M250-I255 HydrophobicContact SD-CD1 4.15Å; M250-I255 HydrophobicContact SD-CG1 3.92Å; M250-A271 PolarHBondContact O-N 2.81Å; M250-S272 VanDerWaalsContact CE-CB 3.49Å; M250-S272 PolarHBondContact N-O 3.06Å; M250-S272 PolarHBondContact O-N 3.46Å; M250-K276 HydrophobicContact CB-CG 4.43Å
251	L	94.5	Very high	91.2	Very high	4 Å²	4	58 Å²	58	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	161.7	-178.6	-52.8	179.7	0	0	0	110.7	D249 K253 D254 L269 I270	D249-L251 HydrophobicContact CB-CD2 4.31Å; L251-K253 HydrophobicContact CB-CG 4.18Å; L251-K253 PolarHBondContact O-N 3.39Å; L251-D254 WeakPolarHBondContact CB-OD2 3.44Å; L251-D254 PolarHBondContact N-OD2 3.22Å; L251-D254 WeakPolarHBondContact O-CB 3.37Å; L251-D254 PolarHBondContact O-N 2.65Å; L251-L269 CarbonylContact C-O 3.5Å; L251-L269 VanDerWaalsContact CA-O 3.29Å; L251-L269 WeakPolarHBondContact CA-O 3.21Å; L251-I270 HydrophobicContact CD2-CB 4.43Å; L251-I270 HydrophobicContact CD2-CG1 3.86Å
252	V	92.9	Very high	91.2	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-55.5	-40.2	177.2	170.9	0	0	0	0	111.4	D254 I255 Y256 L265 T266 G267 L269 A271	V252-D254 PolarHBondContact O-N 2.84Å; V252-I255 PolarHBondContact O-N 3.25Å; V252-I255 VanDerWaalsContact O-N 3.1Å; V252-Y256 HydrophobicContact CG1-CD2 3.93Å; V252-Y256 PolarHBondContact O-N 2.93Å; V252-L265 HydrophobicContact CG1-CB 4.42Å; V252-L265 HydrophobicContact CG2-CB 4.32Å; V252-T266 WeakPolarHBondContact CB-O 3.29Å; V252-G267 PolarHBondContact N-O 3.41Å; V252-L269 HydrophobicContact CG2-CB 3.95Å; V252-L269 HydrophobicContact CG2-CD2 4.37Å; V252-L269 HydrophobicContact CG2-CG 4.46Å; V252-L269 PolarHBondContact N-O 3.25Å; V252-A271 HydrophobicContact CG2-CB 4.14Å
253	K	94.5	Very high	90.9	Very high	84 Å²	84	60 Å²	60	37%	0.365	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-24.9	177.1	69.9	-171.7	177.1	-168.6	0	114.1	L251 I255 G257 G258 G267 D268	L251-K253 HydrophobicContact CB-CG 4.18Å; L251-K253 PolarHBondContact O-N 3.39Å; K253-I255 PolarHBondContact O-N 3.14Å; K253-G257 WeakPolarHBondContact O-CA 3.48Å; K253-G257 PolarHBondContact O-N 2.63Å; K253-G258 WeakPolarHBondContact CA-O 3.31Å; K253-G267 WeakPolarHBondContact CB-O 3.3Å; K253-G267 VanDerWaalsContact CG-O 3.3Å; K253-G267 WeakPolarHBondContact CG-O 3.36Å; K253-G267 PolarHBondContact N-O 3.35Å; K253-D268 IonicContact NZ-OD1 2.73Å; K253-D268 PolarHBondContact NZ-OD1 3.45Å
254	D	92.3	Very high	90.5	Very high	79 Å²	79	62.4 Å²	62.4	42%	0.422	38%	0.376	S	S	.	.	H	α-helix	trans	-72.7	-23	176.6	-57.6	-42.7	0	0	0	111.3	M250 L251 V252 K276	M250-D254 HydrophobicContact CG-CB 4.2Å; L251-D254 WeakPolarHBondContact CB-OD2 3.44Å; L251-D254 PolarHBondContact N-OD2 3.22Å; L251-D254 WeakPolarHBondContact O-CB 3.37Å; L251-D254 PolarHBondContact O-N 2.65Å; V252-D254 PolarHBondContact O-N 2.84Å; D254-K276 IonicContact OD1-NZ 2.68Å; D254-K276 WeakPolarHBondContact OD2-CE 3.31Å; D254-K276 IonicContact OD2-NZ 2.76Å; D254-K276 PolarHBondContact OD2-NZ 3.36Å
255	I	91.1	Very high	90.1	Very high	87 Å²	87	59.1 Å²	59.1	45%	0.446	36%	0.362	S	S	.	.	H	α-helix	trans	-93.8	-46.5	178	-57.3	174	0	0	0	111	M250 V252 K253 A271	M250-I255 HydrophobicContact CE-CD1 4.21Å; M250-I255 HydrophobicContact CG-CD1 4.29Å; M250-I255 HydrophobicContact CG-CG1 4.08Å; M250-I255 HydrophobicContact SD-CD1 4.15Å; M250-I255 HydrophobicContact SD-CG1 3.92Å; V252-I255 PolarHBondContact O-N 3.25Å; V252-I255 VanDerWaalsContact O-N 3.1Å; K253-I255 PolarHBondContact O-N 3.14Å; I255-A271 HydrophobicContact CD1-CB 3.65Å
256	Y	92.1	Very high	89.9	Confident	133 Å²	133	60 Å²	60	52%	0.522	37%	0.371	S	S	.	.	H	α-helix	trans	-105	-1.5	-169.4	-66.9	-84.2	0	0	0	114.2	V252 G258 Y260	V252-Y256 HydrophobicContact CG1-CD2 3.93Å; V252-Y256 PolarHBondContact O-N 2.93Å; Y256-G258 PolarHBondContact O-N 3.21Å; Y256-Y260 HydrophobicContact CD1-CD1 4.48Å; Y256-Y260 HydrophobicContact CD1-CG 4.46Å; Y256-Y260 HydrophobicContact CD2-CD1 4.46Å; Y256-Y260 AromaticContact CE1-CD1 3.99Å; Y256-Y260 HydrophobicContact CE1-CD1 3.99Å; Y256-Y260 AromaticContact CE1-CE1 3.99Å; Y256-Y260 HydrophobicContact CE1-CE1 3.99Å; Y256-Y260 HydrophobicContact CE1-CG 4.38Å; Y256-Y260 AromaticContact CE2-CD1 3.97Å; Y256-Y260 HydrophobicContact CE2-CD1 3.97Å; Y256-Y260 AromaticContact CZ-CD1 3.71Å; Y256-Y260 AromaticContact CZ-CE1 3.82Å
257	G	91.1	Very high	89.6	Confident	76 Å²	76	57.9 Å²	57.9	78%	0.784	36%	0.357	S	S	*	.	S	Bend	trans	72.5	5.3	-176	0	0	0	0	0	114.8	K253	K253-G257 WeakPolarHBondContact O-CA 3.48Å; K253-G257 PolarHBondContact O-N 2.63Å
258	G	91.8	Very high	89.5	Confident	27 Å²	27	62 Å²	62	28%	0.278	38%	0.377	S	S	.	.	S	Bend	trans	175.2	-158.5	-178.3	0	0	0	0	0	112.2	K253 Y256	K253-G258 WeakPolarHBondContact CA-O 3.31Å; Y256-G258 PolarHBondContact O-N 3.21Å
259	S	91.5	Very high	89.1	Confident	81 Å²	81	63.7 Å²	63.7	57%	0.566	39%	0.386	S	S	*	.			trans	-71.2	142	172.4	-61.8	0	0	0	0	111.4	A261 L265 G267	S259-A261 PolarHBondContact O-N 3.39Å; S259-L265 CarbonylContact C-O 3.6Å; S259-G267 PolarHBondContact OG-N 3.2Å
260	Y	89.4	Confident	88.9	Confident	75 Å²	75	65.3 Å²	65.3	29%	0.294	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-91	79.3	172	-170.9	-170.7	0	0	0	110.3	Y256 C262 L263 G264 L265	Y256-Y260 HydrophobicContact CD1-CD1 4.48Å; Y256-Y260 HydrophobicContact CD1-CG 4.46Å; Y256-Y260 HydrophobicContact CD2-CD1 4.46Å; Y256-Y260 AromaticContact CE1-CD1 3.99Å; Y256-Y260 HydrophobicContact CE1-CD1 3.99Å; Y256-Y260 AromaticContact CE1-CE1 3.99Å; Y256-Y260 HydrophobicContact CE1-CE1 3.99Å; Y256-Y260 HydrophobicContact CE1-CG 4.38Å; Y256-Y260 AromaticContact CE2-CD1 3.97Å; Y256-Y260 HydrophobicContact CE2-CD1 3.97Å; Y256-Y260 AromaticContact CZ-CD1 3.71Å; Y256-Y260 AromaticContact CZ-CE1 3.82Å; Y260-C262 VanDerWaalsContact C-N 3.31Å; Y260-C262 HydrophobicContact CD2-CB 4.21Å; Y260-C262 HydrophobicContact CE2-CB 3.77Å; Y260-C262 PolarHBondContact O-N 2.99Å; Y260-L263 HydrophobicContact CD1-CB 4.35Å; Y260-L263 HydrophobicContact CD1-CD1 3.86Å; Y260-L263 HydrophobicContact CD1-CG 4.21Å; Y260-L263 HydrophobicContact CE1-CB 4.47Å; Y260-L263 HydrophobicContact CE1-CD1 3.34Å; Y260-L263 HydrophobicContact CE1-CG 3.83Å; Y260-L263 PolarHBondContact O-N 3Å; Y260-G264 PolarHBondContact O-N 3.07Å; Y260-L265 HydrophobicContact CD1-CD1 4.34Å; Y260-L265 PolarHBondContact N-O 2.91Å; Y260-L265 PolarHBondContact O-N 3.1Å; Y260-L265 VanDerWaalsContact O-N 3.17Å
261	A	86.3	Confident	88.8	Confident	87 Å²	87	64.9 Å²	64.9	72%	0.719	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-58.4	-35.2	-170.2	0	0	0	0	0	114.5	S259 L263 G264	S259-A261 PolarHBondContact O-N 3.39Å; A261-L263 PolarHBondContact O-N 2.83Å; A261-G264 PolarHBondContact O-N 3.1Å
262	C	84.4	Confident	88.7	Confident	111 Å²	111	67 Å²	67	75%	0.75	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.3	-178.6	-170.3	0	0	0	0	113.2	Y260	Y260-C262 VanDerWaalsContact C-N 3.31Å; Y260-C262 HydrophobicContact CD2-CB 4.21Å; Y260-C262 HydrophobicContact CE2-CB 3.77Å; Y260-C262 PolarHBondContact O-N 2.99Å
263	L	80.6	Confident	88.8	Confident	112 Å²	112	68.7 Å²	68.7	59%	0.586	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-106.1	4.6	177.4	-62.5	-176.3	0	0	0	112.6	Y260 A261 L265	Y260-L263 HydrophobicContact CD1-CB 4.35Å; Y260-L263 HydrophobicContact CD1-CD1 3.86Å; Y260-L263 HydrophobicContact CD1-CG 4.21Å; Y260-L263 HydrophobicContact CE1-CB 4.47Å; Y260-L263 HydrophobicContact CE1-CD1 3.34Å; Y260-L263 HydrophobicContact CE1-CG 3.83Å; Y260-L263 PolarHBondContact O-N 3Å; A261-L263 PolarHBondContact O-N 2.83Å; L263-L265 VanDerWaalsContact C-N 3.26Å; L263-L265 HydrophobicContact CB-CD1 4.33Å; L263-L265 HydrophobicContact CB-CG 4.07Å; L263-L265 PolarHBondContact O-N 2.89Å
264	G	80.5	Confident	88.8	Confident	54 Å²	54	66.6 Å²	66.6	56%	0.557	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	20.6	-177.9	0	0	0	0	0	114.7	Y260 A261	Y260-G264 PolarHBondContact O-N 3.07Å; A261-G264 PolarHBondContact O-N 3.1Å
265	L	83.5	Confident	88.9	Confident	55 Å²	55	63.5 Å²	63.5	29%	0.288	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-87.9	122	179.3	-52.6	176.8	0	0	0	110.2	V252 S259 Y260 L263 L269	V252-L265 HydrophobicContact CG1-CB 4.42Å; V252-L265 HydrophobicContact CG2-CB 4.32Å; S259-L265 CarbonylContact C-O 3.6Å; Y260-L265 HydrophobicContact CD1-CD1 4.34Å; Y260-L265 PolarHBondContact N-O 2.91Å; Y260-L265 PolarHBondContact O-N 3.1Å; Y260-L265 VanDerWaalsContact O-N 3.17Å; L263-L265 VanDerWaalsContact C-N 3.26Å; L263-L265 HydrophobicContact CB-CD1 4.33Å; L263-L265 HydrophobicContact CB-CG 4.07Å; L263-L265 PolarHBondContact O-N 2.89Å; L265-L269 HydrophobicContact CB-CD2 4.2Å; L265-L269 HydrophobicContact CD2-CD2 3.76Å; L265-L269 HydrophobicContact CG-CD2 4.47Å
266	T	85.8	Confident	89	Confident	57 Å²	57	61.6 Å²	61.6	35%	0.35	39%	0.394	S	S	.	.			trans	-72.7	149.3	177.2	57	0	0	0	0	111	V252 D268 L269	V252-T266 WeakPolarHBondContact CB-O 3.29Å; T266-D268 PolarHBondContact O-N 2.99Å; T266-L269 VanDerWaalsContact O-CB 3.24Å; T266-L269 WeakPolarHBondContact O-CB 3.49Å; T266-L269 PolarHBondContact O-N 3.35Å; T266-L269 VanDerWaalsContact O-N 3.13Å
267	G	87	Confident	88.9	Confident	6 Å²	6	58.1 Å²	58.1	6%	0.062	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.8	-177.9	0	0	0	0	0	114.5	V252 K253 S259 L269	V252-G267 PolarHBondContact N-O 3.41Å; K253-G267 WeakPolarHBondContact CB-O 3.3Å; K253-G267 VanDerWaalsContact CG-O 3.3Å; K253-G267 WeakPolarHBondContact CG-O 3.36Å; K253-G267 PolarHBondContact N-O 3.35Å; S259-G267 PolarHBondContact OG-N 3.2Å; G267-L269 VanDerWaalsContact C-N 3.32Å
268	D	87.6	Confident	88.7	Confident	109 Å²	109	58.8 Å²	58.8	58%	0.583	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.1	179.4	-63.1	-44.3	0	0	0	113.9	K253 T266	K253-D268 IonicContact NZ-OD1 2.73Å; K253-D268 PolarHBondContact NZ-OD1 3.45Å; T266-D268 PolarHBondContact O-N 2.99Å
269	L	86.5	Confident	88.2	Confident	37 Å²	37	63.2 Å²	63.2	19%	0.194	41%	0.409	C	S	.	.	S	Bend	trans	-66.4	137	175.4	-174	68.3	0	0	0	110.3	L251 V252 L265 T266 G267 A271 F340	L251-L269 CarbonylContact C-O 3.5Å; L251-L269 VanDerWaalsContact CA-O 3.29Å; L251-L269 WeakPolarHBondContact CA-O 3.21Å; V252-L269 HydrophobicContact CG2-CB 3.95Å; V252-L269 HydrophobicContact CG2-CD2 4.37Å; V252-L269 HydrophobicContact CG2-CG 4.46Å; V252-L269 PolarHBondContact N-O 3.25Å; L265-L269 HydrophobicContact CB-CD2 4.2Å; L265-L269 HydrophobicContact CD2-CD2 3.76Å; L265-L269 HydrophobicContact CG-CD2 4.47Å; T266-L269 VanDerWaalsContact O-CB 3.24Å; T266-L269 WeakPolarHBondContact O-CB 3.49Å; T266-L269 PolarHBondContact O-N 3.35Å; T266-L269 VanDerWaalsContact O-N 3.13Å; G267-L269 VanDerWaalsContact C-N 3.32Å; L269-A271 PolarHBondContact O-N 2.87Å; L269-F340 HydrophobicContact CD1-CE1 4.26Å; L269-F340 HydrophobicContact CD1-CZ 4.21Å; L269-F340 HydrophobicContact CD2-CE1 4.46Å; L269-F340 HydrophobicContact CD2-CZ 4.19Å
270	I	90.5	Very high	87.6	Confident	34 Å²	34	61 Å²	61	17%	0.174	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	118.6	173.1	-61	169.1	0	0	0	108.5	D249 L251 H295	D249-I270 HydrophobicContact CB-CG1 4.32Å; D249-I270 HydrophobicContact CB-CG2 4.22Å; D249-I270 WeakPolarHBondContact OD2-CD1 3.38Å; L251-I270 HydrophobicContact CD2-CB 4.43Å; L251-I270 HydrophobicContact CD2-CG1 3.86Å; I270-H295 HydrophobicContact CD1-CB 4.24Å
271	A	90.9	Very high	87.1	Confident	50 Å²	50	66.1 Å²	66.1	41%	0.413	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-38.4	173.6	0	0	0	0	0	111.4	M250 V252 I255 L269	M250-A271 PolarHBondContact O-N 2.81Å; V252-A271 HydrophobicContact CG2-CB 4.14Å; I255-A271 HydrophobicContact CD1-CB 3.65Å; L269-A271 PolarHBondContact O-N 2.87Å
272	S	93.4	Very high	86.9	Confident	49 Å²	49	67.8 Å²	67.8	34%	0.343	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	113.7	174.7	-176.2	0	0	0	0	110.7	M250 G275	M250-S272 VanDerWaalsContact CE-CB 3.49Å; M250-S272 PolarHBondContact N-O 3.06Å; M250-S272 PolarHBondContact O-N 3.46Å; S272-G275 PolarHBondContact O-N 3.4Å
273	S	93.7	Very high	86.9	Confident	40 Å²	40	71.7 Å²	71.7	28%	0.28	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137	173	-52.5	0	0	0	0	110.4	D249 G275	D249-S273 WeakPolarHBondContact OD1-CA 3.49Å; S273-G275 PolarHBondContact O-N 2.54Å
274	F	94.8	Very high	87.4	Confident	39 Å²	39	68 Å²	68	17%	0.171	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	9.9	-173.4	-66.1	-95.2	0	0	0	115.7	L227 V248 D249 K276 S277 M289 S292 L293 M296	L227-F274 HydrophobicContact CD1-CE1 4Å; L227-F274 HydrophobicContact CD1-CZ 4.02Å; V248-F274 HydrophobicContact CG1-CB 4.37Å; V248-F274 HydrophobicContact CG1-CD1 3.45Å; V248-F274 VanDerWaalsContact CG1-CD1 3.45Å; V248-F274 HydrophobicContact CG1-CE1 3.84Å; V248-F274 HydrophobicContact CG1-CG 3.99Å; V248-F274 CarbonylContact O-C 3.54Å; V248-F274 WeakPolarHBondContact O-CA 3.41Å; D249-F274 PolarHBondContact OD1-N 3.29Å; F274-K276 VanDerWaalsContact C-N 3.27Å; F274-K276 PolarHBondContact O-N 2.79Å; F274-K276 VanDerWaalsContact O-N 3.15Å; F274-S277 WeakPolarHBondContact O-CB 3.38Å; F274-S277 PolarHBondContact O-N 3.04Å; F274-S277 PolarHBondContact O-OG 2.66Å; F274-M289 HydrophobicContact CE1-CB 4.43Å; F274-S292 WeakPolarHBondContact CD2-OG 3.06Å; F274-S292 WeakPolarHBondContact CE2-OG 3.46Å; F274-S292 WeakPolarHBondContact CZ-OG 3.26Å; F274-L293 HydrophobicContact CE2-CB 4.27Å; F274-L293 HydrophobicContact CE2-CD1 4.21Å; F274-L293 HydrophobicContact CZ-CB 3.9Å; F274-L293 HydrophobicContact CZ-CD1 4.29Å; F274-M296 HydrophobicContact CD2-SD 4.19Å; F274-M296 HydrophobicContact CE2-SD 4.27Å
275	G	94	Very high	88.1	Confident	15 Å²	15	67.7 Å²	67.7	16%	0.155	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.5	-170.8	0	0	0	0	0	114.6	S272 S273 S277	S272-G275 PolarHBondContact O-N 3.4Å; S273-G275 PolarHBondContact O-N 2.54Å; G275-S277 VanDerWaalsContact C-N 3.27Å; G275-S277 PolarHBondContact O-N 3.19Å
276	K	93.7	Very high	88.6	Confident	46 Å²	46	68.2 Å²	68.2	20%	0.2	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-72.7	-21.9	178.2	-66	175.9	169.6	133.9	0	112.7	S246 S247 V248 D249 M250 D254 F274 A278 T279 A280	S246-K276 PolarHBondContact O-NZ 2.93Å; S247-K276 WeakPolarHBondContact O-CD 3.48Å; V248-K276 WeakPolarHBondContact O-CB 3.41Å; V248-K276 PolarHBondContact O-N 2.88Å; V248-K276 VanDerWaalsContact O-N 3.12Å; D249-K276 WeakPolarHBondContact O-CD 3.45Å; D249-K276 WeakPolarHBondContact O-CE 3.44Å; D249-K276 PolarHBondContact O-NZ 2.97Å; M250-K276 HydrophobicContact CB-CG 4.43Å; D254-K276 IonicContact OD1-NZ 2.68Å; D254-K276 WeakPolarHBondContact OD2-CE 3.31Å; D254-K276 IonicContact OD2-NZ 2.76Å; D254-K276 PolarHBondContact OD2-NZ 3.36Å; F274-K276 VanDerWaalsContact C-N 3.27Å; F274-K276 PolarHBondContact O-N 2.79Å; F274-K276 VanDerWaalsContact O-N 3.15Å; K276-A278 PolarHBondContact O-N 3.28Å; K276-T279 PolarHBondContact O-N 2.88Å; K276-A280 WeakPolarHBondContact O-CB 3.27Å; K276-A280 PolarHBondContact O-N 2.83Å
277	S	89.7	Confident	89	Confident	60 Å²	60	68.7 Å²	68.7	42%	0.42	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-65.9	-22.4	-178.2	70.6	0	0	0	0	113.8	F274 G275 T279	F274-S277 WeakPolarHBondContact O-CB 3.38Å; F274-S277 PolarHBondContact O-N 3.04Å; F274-S277 PolarHBondContact O-OG 2.66Å; G275-S277 VanDerWaalsContact C-N 3.27Å; G275-S277 PolarHBondContact O-N 3.19Å; S277-T279 VanDerWaalsContact C-N 3.34Å
278	A	86.5	Confident	89.4	Confident	90 Å²	90	69.9 Å²	69.9	74%	0.744	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-75.7	-21	178.7	0	0	0	0	0	113.8	K276	K276-A278 PolarHBondContact O-N 3.28Å
279	T	81.3	Confident	89.7	Confident	121 Å²	121	66 Å²	66	74%	0.742	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-5.5	-170.2	60.4	0	0	0	0	113.9	K276 S277	K276-T279 PolarHBondContact O-N 2.88Å; S277-T279 VanDerWaalsContact C-N 3.34Å
280	A	80.6	Confident	90	Very high	34 Å²	34	64.3 Å²	64.3	28%	0.281	37%	0.371	S	S	.	.			trans	-89.9	128.2	-176.6	0	0	0	0	0	111.6	K276 K282 F284	K276-A280 WeakPolarHBondContact O-CB 3.27Å; K276-A280 PolarHBondContact O-N 2.83Å; A280-K282 HydrophobicContact CB-CG 4.2Å; A280-K282 PolarHBondContact O-N 3.48Å; A280-F284 HydrophobicContact CB-CE1 4.46Å; A280-F284 HydrophobicContact CB-CE2 4.34Å; A280-F284 HydrophobicContact CB-CZ 3.64Å
281	D	77.2	Confident	90.1	Very high	182 Å²	182	64 Å²	64	97%	0.973	37%	0.368	S	S	*	.	S	Bend	trans	-82.8	26.4	173.8	-72.3	-31	0	0	0	113.2
282	K	82.4	Confident	90.3	Very high	122 Å²	122	61.6 Å²	61.6	53%	0.53	35%	0.348	S	S	.	.	S	Bend	trans	-126.2	146.7	-179.7	68.4	175.5	-176.7	175.3	0	111.3	A280	A280-K282 HydrophobicContact CB-CG 4.2Å; A280-K282 PolarHBondContact O-N 3.48Å
283	E	84.4	Confident	90.3	Very high	194 Å²	194	59.3 Å²	59.3	91%	0.907	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-71.8	139.5	167.7	-65.6	-169.4	161	0	0	110.3
284	F	91.5	Very high	90.2	Very high	35 Å²	35	57.5 Å²	57.5	15%	0.154	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-93.3	146.6	174.6	-57.9	-82.5	0	0	0	109.8	S247 V248 A280 M289	S247-F284 WeakPolarHBondContact O-CE1 3.38Å; V248-F284 HydrophobicContact CB-CD1 4.37Å; V248-F284 HydrophobicContact CG2-CB 3.98Å; V248-F284 HydrophobicContact CG2-CD1 3.51Å; V248-F284 HydrophobicContact CG2-CE1 4.22Å; V248-F284 HydrophobicContact CG2-CG 3.86Å; A280-F284 HydrophobicContact CB-CE1 4.46Å; A280-F284 HydrophobicContact CB-CE2 4.34Å; A280-F284 HydrophobicContact CB-CZ 3.64Å; F284-M289 HydrophobicContact CB-CG 3.84Å; F284-M289 HydrophobicContact CB-SD 4.26Å
285	S	94.4	Very high	90	Very high	46 Å²	46	56.7 Å²	56.7	32%	0.322	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-67.7	152.7	174.3	70.6	0	0	0	0	110.7	E287 D288 M289	S285-E287 PolarHBondContact O-N 3.3Å; S285-D288 PolarHBondContact O-N 2.94Å; S285-D288 VanDerWaalsContact OG-CB 3.24Å; S285-D288 WeakPolarHBondContact OG-CB 3.45Å; S285-D288 PolarHBondContact OG-N 3.43Å; S285-D288 PolarHBondContact OG-OD1 2.8Å; S285-D288 PolarHBondContact OG-OD2 3.3Å; S285-M289 WeakPolarHBondContact O-CG 3.49Å; S285-M289 PolarHBondContact O-N 3.47Å; S285-M289 VanDerWaalsContact O-N 3.09Å
286	N	94.6	Very high	90	Very high	66 Å²	66	58.6 Å²	58.6	35%	0.353	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-36.9	175.8	-73.6	-18.5	0	0	0	111.2	T228 L239 A290	T228-N286 HydrophobicContact CG2-CB 3.98Å; T228-N286 WeakPolarHBondContact CG2-O 3.47Å; L239-N286 HydrophobicContact CD1-CB 4.41Å; N286-A290 VanDerWaalsContact O-CB 3.26Å; N286-A290 WeakPolarHBondContact O-CB 3.49Å; N286-A290 PolarHBondContact O-N 3.31Å
287	E	94.8	Very high	89.9	Confident	68 Å²	68	56.4 Å²	56.4	32%	0.318	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-48.9	176.6	-65.6	79.2	-179.2	0	0	111.4	L239 K242 G243 S285 A290 K291	L239-E287 HydrophobicContact CB-CG 4.49Å; L239-E287 HydrophobicContact CD2-CG 3.85Å; K242-E287 HydrophobicContact CB-CG 4.16Å; G243-E287 WeakPolarHBondContact CA-O 3.29Å; S285-E287 PolarHBondContact O-N 3.3Å; E287-A290 PolarHBondContact O-N 3.14Å; E287-K291 WeakPolarHBondContact O-CB 3.38Å; E287-K291 PolarHBondContact O-N 2.71Å
288	D	94.5	Very high	90	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.16	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-41.8	-179	-68.4	-3.1	0	0	0	111.4	Q244 S247 V248 S285 K291 S292	Q244-D288 PolarHBondContact N-OD1 3.44Å; Q244-D288 WeakPolarHBondContact O-CB 3.33Å; Q244-D288 VanDerWaalsContact O-CG 3.27Å; S247-D288 WeakPolarHBondContact CB-OD2 3.31Å; S247-D288 WeakPolarHBondContact OG-CB 3.4Å; S247-D288 PolarHBondContact OG-OD2 3.15Å; V248-D288 HydrophobicContact CG2-CB 3.77Å; S285-D288 PolarHBondContact O-N 2.94Å; S285-D288 VanDerWaalsContact OG-CB 3.24Å; S285-D288 WeakPolarHBondContact OG-CB 3.45Å; S285-D288 PolarHBondContact OG-N 3.43Å; S285-D288 PolarHBondContact OG-OD1 2.8Å; S285-D288 PolarHBondContact OG-OD2 3.3Å; D288-K291 PolarHBondContact O-N 3.13Å; D288-S292 WeakPolarHBondContact O-CB 3.44Å; D288-S292 PolarHBondContact O-N 3.25Å
289	M	95	Very high	90.1	Very high	29 Å²	29	50.9 Å²	50.9	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-43.9	175	-70.1	-170.7	-69.5	0	0	111.7	L227 V248 F274 F284 S285 K291 S292 L293	L227-M289 HydrophobicContact CB-SD 4.46Å; L227-M289 HydrophobicContact CD2-SD 4.39Å; V248-M289 HydrophobicContact CG2-CG 4.35Å; F274-M289 HydrophobicContact CE1-CB 4.43Å; F284-M289 HydrophobicContact CB-CG 3.84Å; F284-M289 HydrophobicContact CB-SD 4.26Å; S285-M289 WeakPolarHBondContact O-CG 3.49Å; S285-M289 PolarHBondContact O-N 3.47Å; S285-M289 VanDerWaalsContact O-N 3.09Å; M289-K291 VanDerWaalsContact C-N 3.33Å; M289-K291 PolarHBondContact O-N 3.43Å; M289-S292 PolarHBondContact O-N 2.59Å; M289-L293 WeakPolarHBondContact O-CB 3.33Å; M289-L293 PolarHBondContact O-N 2.81Å
290	A	93.3	Very high	90.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-40	176.3	0	0	0	0	0	111.8	T228 L236 L239 A240 N286 E287 L293 L294	T228-A290 HydrophobicContact CG2-CB 4.32Å; L236-A290 HydrophobicContact CD1-CB 3.89Å; L239-A290 HydrophobicContact CB-CB 3.85Å; A240-A290 HydrophobicContact CB-CB 4.01Å; N286-A290 VanDerWaalsContact O-CB 3.26Å; N286-A290 WeakPolarHBondContact O-CB 3.49Å; N286-A290 PolarHBondContact O-N 3.31Å; E287-A290 PolarHBondContact O-N 3.14Å; A290-L293 PolarHBondContact O-N 3.43Å; A290-L294 WeakPolarHBondContact O-CB 3.31Å; A290-L294 PolarHBondContact O-N 3.11Å
291	K	91.8	Very high	91.2	Very high	26 Å²	26	45.8 Å²	45.8	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-49.1	176	-177.2	81	-179.3	155	0	111.8	A240 G243 H245 E287 D288 M289 L293 L294 H295	A240-K291 WeakPolarHBondContact O-CD 3.48Å; G243-K291 WeakPolarHBondContact O-CD 3.48Å; G243-K291 WeakPolarHBondContact O-CG 3.21Å; H245-K291 HydrophobicContact CB-CB 4.49Å; H245-K291 HydrophobicContact CB-CG 3.81Å; E287-K291 WeakPolarHBondContact O-CB 3.38Å; E287-K291 PolarHBondContact O-N 2.71Å; D288-K291 PolarHBondContact O-N 3.13Å; M289-K291 VanDerWaalsContact C-N 3.33Å; M289-K291 PolarHBondContact O-N 3.43Å; K291-L293 VanDerWaalsContact C-N 3.34Å; K291-L294 PolarHBondContact O-N 3.17Å; K291-H295 WeakPolarHBondContact CE-NE2 3.41Å; K291-H295 PolarHBondContact NZ-NE2 3.34Å; K291-H295 PolarHBondContact O-N 2.86Å
292	S	94.1	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-43.1	176.5	166.7	0	0	0	0	111.4	D249 F274 D288 M289 L294 H295 M296	D249-S292 WeakPolarHBondContact OD1-CB 3.46Å; D249-S292 PolarHBondContact OD1-OG 3.03Å; F274-S292 WeakPolarHBondContact CD2-OG 3.06Å; F274-S292 WeakPolarHBondContact CE2-OG 3.46Å; F274-S292 WeakPolarHBondContact CZ-OG 3.26Å; D288-S292 WeakPolarHBondContact O-CB 3.44Å; D288-S292 PolarHBondContact O-N 3.25Å; M289-S292 PolarHBondContact O-N 2.59Å; S292-L294 PolarHBondContact O-N 3.44Å; S292-H295 PolarHBondContact O-N 3.37Å; S292-M296 WeakPolarHBondContact O-CB 3.39Å; S292-M296 PolarHBondContact O-N 2.94Å
293	L	94.4	Very high	92.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-45.2	176	-171.1	65.2	0	0	0	112.4	F220 L223 G224 L227 F274 M289 A290 K291 M296 I297	F220-L293 HydrophobicContact CD2-CB 4.36Å; F220-L293 HydrophobicContact CD2-CD2 3.83Å; F220-L293 HydrophobicContact CD2-CG 3.84Å; F220-L293 HydrophobicContact CE2-CB 4.34Å; F220-L293 HydrophobicContact CE2-CD2 4.19Å; F220-L293 HydrophobicContact CE2-CG 4.28Å; F220-L293 WeakPolarHBondContact O-CD2 3.22Å; L223-L293 HydrophobicContact CB-CD1 4Å; L223-L293 HydrophobicContact CB-CD2 3.88Å; L223-L293 HydrophobicContact CD1-CD1 3.98Å; G224-L293 VanDerWaalsContact N-CD2 3.29Å; L227-L293 HydrophobicContact CD1-CD2 4.39Å; F274-L293 HydrophobicContact CE2-CB 4.27Å; F274-L293 HydrophobicContact CE2-CD1 4.21Å; F274-L293 HydrophobicContact CZ-CB 3.9Å; F274-L293 HydrophobicContact CZ-CD1 4.29Å; M289-L293 WeakPolarHBondContact O-CB 3.33Å; M289-L293 PolarHBondContact O-N 2.81Å; A290-L293 PolarHBondContact O-N 3.43Å; K291-L293 VanDerWaalsContact C-N 3.34Å; L293-M296 HydrophobicContact CD1-CE 3.77Å; L293-M296 PolarHBondContact O-N 2.82Å; L293-I297 HydrophobicContact CD1-CD1 4.17Å; L293-I297 HydrophobicContact CG-CD1 4.17Å; L293-I297 WeakPolarHBondContact O-CG1 3.36Å; L293-I297 PolarHBondContact O-N 2.88Å; L293-I297 VanDerWaalsContact O-N 3.16Å
294	L	91.1	Very high	92.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-47.5	176.9	-177.8	60.8	0	0	0	110.7	F220 L237 A240 A290 K291 S292 M296 I297 S298 F323 V329 T330	F220-L294 HydrophobicContact CD2-CB 4.4Å; F220-L294 HydrophobicContact CD2-CD1 4.39Å; F220-L294 HydrophobicContact CE2-CB 3.72Å; F220-L294 HydrophobicContact CE2-CD1 4.08Å; F220-L294 HydrophobicContact CE2-CG 4.48Å; F220-L294 HydrophobicContact CZ-CB 4.35Å; F220-L294 HydrophobicContact CZ-CD1 4.29Å; L237-L294 HydrophobicContact CD2-CD1 4.04Å; L237-L294 HydrophobicContact CD2-CD2 4.29Å; A240-L294 HydrophobicContact CB-CB 4.26Å; A240-L294 HydrophobicContact CB-CD2 3.88Å; A290-L294 WeakPolarHBondContact O-CB 3.31Å; A290-L294 PolarHBondContact O-N 3.11Å; K291-L294 PolarHBondContact O-N 3.17Å; S292-L294 PolarHBondContact O-N 3.44Å; L294-M296 PolarHBondContact O-N 3.39Å; L294-I297 PolarHBondContact O-N 3.24Å; L294-S298 VanDerWaalsContact O-CB 3.31Å; L294-S298 WeakPolarHBondContact O-CB 3.47Å; L294-S298 PolarHBondContact O-N 3.03Å; L294-S298 PolarHBondContact O-OG 3.26Å; L294-F323 HydrophobicContact CD1-CE1 4.36Å; L294-F323 HydrophobicContact CD1-CE2 4.19Å; L294-F323 HydrophobicContact CD1-CZ 3.61Å; L294-V329 HydrophobicContact CD2-CB 4.21Å; L294-V329 HydrophobicContact CD2-CG1 3.62Å; L294-T330 HydrophobicContact CD1-CG2 4.43Å
295	H	90.8	Very high	92.8	Very high	22 Å²	22	26.3 Å²	26.3	10%	0.102	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-44.7	178.6	-80	-162	0	0	0	112.4	H245 I270 K291 S292 I297 S298 N299	H245-H295 AromaticContact CD2-CE1 3.42Å; H245-H295 PolarHBondContact CD2-CE1 3.21Å; H245-H295 VanDerWaalsContact CD2-CE1 3.42Å; H245-H295 AromaticContact CD2-ND1 3.45Å; H245-H295 PolarHBondContact CD2-ND1 3.48Å; H245-H295 AromaticContact CE1-ND1 3.99Å; H245-H295 AromaticContact CG-CE1 3.81Å; H245-H295 AromaticContact CG-ND1 3.37Å; H245-H295 AromaticContact ND1-ND1 3.72Å; H245-H295 AromaticContact NE2-CE1 3.87Å; H245-H295 AromaticContact NE2-ND1 3.84Å; I270-H295 HydrophobicContact CD1-CB 4.24Å; K291-H295 WeakPolarHBondContact CE-NE2 3.41Å; K291-H295 PolarHBondContact NZ-NE2 3.34Å; K291-H295 PolarHBondContact O-N 2.86Å; S292-H295 PolarHBondContact O-N 3.37Å; H295-I297 VanDerWaalsContact C-N 3.35Å; H295-I297 PolarHBondContact O-N 3Å; H295-S298 PolarHBondContact O-N 2.74Å; H295-N299 WeakPolarHBondContact O-CB 3.39Å; H295-N299 PolarHBondContact O-N 2.92Å; H295-N299 PolarHBondContact O-ND2 2.95Å
296	M	93.1	Very high	92.7	Very high	56 Å²	56	24.4 Å²	24.4	28%	0.276	12%	0.122	S	C	.	.	H	α-helix	trans	-56.8	-49.3	178.4	-178.5	-178.8	79.4	0	0	111.3	F274 S292 L293 L294 D300	F274-M296 HydrophobicContact CD2-SD 4.19Å; F274-M296 HydrophobicContact CE2-SD 4.27Å; S292-M296 WeakPolarHBondContact O-CB 3.39Å; S292-M296 PolarHBondContact O-N 2.94Å; L293-M296 HydrophobicContact CD1-CE 3.77Å; L293-M296 PolarHBondContact O-N 2.82Å; L294-M296 PolarHBondContact O-N 3.39Å; M296-D300 WeakPolarHBondContact O-CB 3.28Å; M296-D300 PolarHBondContact O-N 3.4Å
297	I	92.7	Very high	92.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.8	-45.8	-177.4	-65.7	174.7	0	0	0	110.9	I215 T219 F220 L293 L294 H295 N299 D300 I301 F323	I215-I297 HydrophobicContact CG2-CB 4.4Å; I215-I297 HydrophobicContact CG2-CD1 4.49Å; I215-I297 HydrophobicContact CG2-CG1 3.79Å; I215-I297 HydrophobicContact CG2-CG2 4.27Å; T219-I297 HydrophobicContact CG2-CD1 4.45Å; F220-I297 HydrophobicContact CB-CD1 3.52Å; F220-I297 HydrophobicContact CD2-CD1 4.2Å; F220-I297 HydrophobicContact CG-CD1 4.37Å; L293-I297 HydrophobicContact CD1-CD1 4.17Å; L293-I297 HydrophobicContact CG-CD1 4.17Å; L293-I297 WeakPolarHBondContact O-CG1 3.36Å; L293-I297 PolarHBondContact O-N 2.88Å; L293-I297 VanDerWaalsContact O-N 3.16Å; L294-I297 PolarHBondContact O-N 3.24Å; H295-I297 VanDerWaalsContact C-N 3.35Å; H295-I297 PolarHBondContact O-N 3Å; I297-N299 VanDerWaalsContact C-N 3.33Å; I297-N299 PolarHBondContact O-N 3.44Å; I297-D300 PolarHBondContact O-N 3.29Å; I297-I301 HydrophobicContact CG2-CD1 3.83Å; I297-I301 VanDerWaalsContact O-CG1 3.26Å; I297-I301 WeakPolarHBondContact O-CG1 3.34Å; I297-I301 PolarHBondContact O-N 2.75Å; I297-F323 HydrophobicContact CB-CZ 4.49Å; I297-F323 HydrophobicContact CG2-CE1 4.2Å; I297-F323 HydrophobicContact CG2-CZ 3.89Å
298	S	91	Very high	92.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-38	177.8	-69.3	0	0	0	0	112.8	L294 H295 G302	L294-S298 VanDerWaalsContact O-CB 3.31Å; L294-S298 WeakPolarHBondContact O-CB 3.47Å; L294-S298 PolarHBondContact O-N 3.03Å; L294-S298 PolarHBondContact O-OG 3.26Å; H295-S298 PolarHBondContact O-N 2.74Å; S298-G302 PolarHBondContact O-N 2.73Å
299	N	89.1	Confident	92.7	Very high	33 Å²	33	24.7 Å²	24.7	18%	0.176	12%	0.121	C	C	.	.	H	α-helix	trans	-69.2	-42.4	177.3	-75.4	-24.8	0	0	0	111.9	H295 I297 I301 G302 Q303 T333	H295-N299 WeakPolarHBondContact O-CB 3.39Å; H295-N299 PolarHBondContact O-N 2.92Å; H295-N299 PolarHBondContact O-ND2 2.95Å; I297-N299 VanDerWaalsContact C-N 3.33Å; I297-N299 PolarHBondContact O-N 3.44Å; N299-I301 VanDerWaalsContact C-N 3.35Å; N299-G302 PolarHBondContact O-N 3.37Å; N299-Q303 WeakPolarHBondContact O-CB 3.28Å; N299-Q303 VanDerWaalsContact O-CG 3.3Å; N299-Q303 WeakPolarHBondContact O-CG 3.31Å; N299-Q303 PolarHBondContact O-N 3.28Å; N299-T333 WeakPolarHBondContact OD1-CG2 3.41Å
300	D	91.9	Very high	92.6	Very high	47 Å²	47	27.6 Å²	27.6	25%	0.251	13%	0.133	S	C	.	.	H	α-helix	trans	-57.1	-49	174.2	-177.8	69.6	0	0	0	110.9	M296 I297 G302 Q303 L304	M296-D300 WeakPolarHBondContact O-CB 3.28Å; M296-D300 PolarHBondContact O-N 3.4Å; I297-D300 PolarHBondContact O-N 3.29Å; D300-G302 PolarHBondContact O-N 3.47Å; D300-Q303 PolarHBondContact O-N 3.12Å; D300-L304 WeakPolarHBondContact O-CG 3.19Å; D300-L304 PolarHBondContact O-N 3.48Å
301	I	92.9	Very high	92.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-47.4	176.9	-67.6	169.7	0	0	0	111.3	V190 I192 V196 I297 N299 Q303 L304 A305 F319 F323	V190-I301 HydrophobicContact CG1-CG2 4.05Å; I192-I301 HydrophobicContact CD1-CD1 4.16Å; I192-I301 HydrophobicContact CD1-CG2 3.89Å; I192-I301 HydrophobicContact CG1-CD1 4.3Å; I192-I301 HydrophobicContact CG1-CG2 4.25Å; I192-I301 HydrophobicContact CG2-CD1 3.77Å; V196-I301 HydrophobicContact CG2-CD1 3.93Å; V196-I301 HydrophobicContact CG2-CG1 3.89Å; I297-I301 HydrophobicContact CG2-CD1 3.83Å; I297-I301 VanDerWaalsContact O-CG1 3.26Å; I297-I301 WeakPolarHBondContact O-CG1 3.34Å; I297-I301 PolarHBondContact O-N 2.75Å; N299-I301 VanDerWaalsContact C-N 3.35Å; I301-Q303 PolarHBondContact O-N 2.82Å; I301-L304 PolarHBondContact O-N 3.11Å; I301-A305 VanDerWaalsContact O-CB 3.28Å; I301-A305 WeakPolarHBondContact O-CB 3.26Å; I301-A305 PolarHBondContact O-N 3.41Å; I301-F319 HydrophobicContact CG2-CD1 4.5Å; I301-F319 HydrophobicContact CG2-CE1 4.05Å; I301-F323 HydrophobicContact CD1-CD1 4.47Å; I301-F323 HydrophobicContact CD1-CE1 4.32Å
302	G	91.4	Very high	92.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-39.4	179.1	0	0	0	0	0	113	S298 N299 D300 C306	S298-G302 PolarHBondContact O-N 2.73Å; N299-G302 PolarHBondContact O-N 3.37Å; D300-G302 PolarHBondContact O-N 3.47Å; G302-C306 WeakPolarHBondContact O-CB 3.4Å; G302-C306 PolarHBondContact O-N 3.17Å
303	Q	89.9	Confident	92.8	Very high	85 Å²	85	41.8 Å²	41.8	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-48.5	175.8	-77	177.5	26.5	0	0	111.6	N299 D300 I301 A305 C306 L307 F341	N299-Q303 WeakPolarHBondContact O-CB 3.28Å; N299-Q303 VanDerWaalsContact O-CG 3.3Å; N299-Q303 WeakPolarHBondContact O-CG 3.31Å; N299-Q303 PolarHBondContact O-N 3.28Å; D300-Q303 PolarHBondContact O-N 3.12Å; I301-Q303 PolarHBondContact O-N 2.82Å; Q303-A305 VanDerWaalsContact C-N 3.34Å; Q303-A305 PolarHBondContact O-N 3.09Å; Q303-C306 WeakPolarHBondContact O-CB 3.28Å; Q303-C306 PolarHBondContact O-N 2.78Å; Q303-L307 WeakPolarHBondContact O-CG 3.41Å; Q303-L307 PolarHBondContact O-N 2.84Å; Q303-F341 HydrophobicContact CG-CD2 3.86Å; Q303-F341 HydrophobicContact CG-CE2 3.3Å; Q303-F341 HydrophobicContact CG-CZ 3.71Å
304	L	93.6	Very high	92.8	Very high	39 Å²	39	42.2 Å²	42.2	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-47	176.6	-71.1	173.9	0	0	0	111	I198 D300 I301 C306 L307 Y308	I198-L304 HydrophobicContact CD1-CB 3.97Å; D300-L304 WeakPolarHBondContact O-CG 3.19Å; D300-L304 PolarHBondContact O-N 3.48Å; I301-L304 PolarHBondContact O-N 3.11Å; L304-C306 VanDerWaalsContact C-N 3.33Å; L304-C306 PolarHBondContact O-N 3.04Å; L304-L307 PolarHBondContact O-N 3.12Å; L304-Y308 VanDerWaalsContact O-CD2 3.23Å; L304-Y308 WeakPolarHBondContact O-CD2 3.11Å; L304-Y308 PolarHBondContact O-N 3.19Å
305	A	94.3	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-45.9	176.9	0	0	0	0	0	112	V190 I301 Q303 A309 V317 F319 I338	V190-A305 HydrophobicContact CG2-CB 3.95Å; I301-A305 VanDerWaalsContact O-CB 3.28Å; I301-A305 WeakPolarHBondContact O-CB 3.26Å; I301-A305 PolarHBondContact O-N 3.41Å; Q303-A305 VanDerWaalsContact C-N 3.34Å; Q303-A305 PolarHBondContact O-N 3.09Å; A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.88Å; A305-V317 HydrophobicContact CB-CG1 4.29Å; A305-F319 HydrophobicContact CB-CE1 3.98Å; A305-F319 HydrophobicContact CB-CZ 3.66Å; A305-I338 HydrophobicContact CB-CD1 4.47Å
306	C	92.8	Very high	92.9	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-46.8	175.4	168.6	0	0	0	0	112.3	G302 Q303 L304 A309 K310 F341 T342	G302-C306 WeakPolarHBondContact O-CB 3.4Å; G302-C306 PolarHBondContact O-N 3.17Å; Q303-C306 WeakPolarHBondContact O-CB 3.28Å; Q303-C306 PolarHBondContact O-N 2.78Å; L304-C306 VanDerWaalsContact C-N 3.33Å; L304-C306 PolarHBondContact O-N 3.04Å; C306-A309 PolarHBondContact O-N 3.31Å; C306-K310 WeakPolarHBondContact O-CB 3.35Å; C306-K310 WeakPolarHBondContact O-CG 3.39Å; C306-K310 PolarHBondContact O-N 2.91Å; C306-F341 HydrophobicContact CB-CB 4.29Å; C306-F341 WeakPolarHBondContact SG-CB 3.2Å; C306-T342 HydrophobicContact CB-CG2 4.06Å; C306-T342 WeakPolarHBondContact SG-CG2 3.44Å
307	L	93.2	Very high	93.1	Very high	113 Å²	113	43.7 Å²	43.7	59%	0.592	22%	0.222	S	C	*	.	H	α-helix	trans	-62	-47.6	-179.2	-72.1	171.5	0	0	0	111.5	Q303 L304 K310 L311	Q303-L307 WeakPolarHBondContact O-CG 3.41Å; Q303-L307 PolarHBondContact O-N 2.84Å; L304-L307 PolarHBondContact O-N 3.12Å; L307-K310 PolarHBondContact O-N 2.95Å; L307-L311 VanDerWaalsContact O-CB 3.25Å; L307-L311 WeakPolarHBondContact O-CB 3.45Å; L307-L311 PolarHBondContact O-N 3.41Å
308	Y	95.8	Very high	93.2	Very high	57 Å²	57	44 Å²	44	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-39.8	177.8	-78.4	-71.7	0	0	0	112.3	I198 I210 G211 L304 K310 L311 H312	I198-Y308 HydrophobicContact CD1-CD2 3.5Å; I198-Y308 HydrophobicContact CD1-CE2 3.71Å; I198-Y308 HydrophobicContact CG2-CD2 4.03Å; I198-Y308 HydrophobicContact CG2-CG 4.04Å; I210-Y308 HydrophobicContact CB-CD1 4.43Å; I210-Y308 HydrophobicContact CB-CE1 4.46Å; I210-Y308 HydrophobicContact CD1-CD1 3.73Å; I210-Y308 HydrophobicContact CD1-CG 4.19Å; I210-Y308 HydrophobicContact CG1-CD1 4.05Å; I210-Y308 HydrophobicContact CG1-CE1 4.43Å; I210-Y308 WeakPolarHBondContact O-CE1 3.48Å; G211-Y308 WeakPolarHBondContact CA-OH 3.48Å; L304-Y308 VanDerWaalsContact O-CD2 3.23Å; L304-Y308 WeakPolarHBondContact O-CD2 3.11Å; L304-Y308 PolarHBondContact O-N 3.19Å; Y308-K310 PolarHBondContact O-N 3.34Å; Y308-L311 PolarHBondContact O-N 2.67Å; Y308-H312 PolarHBondContact O-CD2 2.89Å; Y308-H312 VanDerWaalsContact O-CD2 3.27Å; Y308-H312 PolarHBondContact O-N 3.04Å; Y308-H312 VanDerWaalsContact O-N 3.07Å
309	A	95	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-47.7	175.3	0	0	0	0	0	111.1	L188 A305 C306 H312 N313 L314 V317 V346	L188-A309 HydrophobicContact CD2-CB 4.24Å; A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.88Å; C306-A309 PolarHBondContact O-N 3.31Å; A309-H312 CarbonylContact O-C 3.28Å; A309-H312 PolarHBondContact O-N 2.9Å; A309-N313 PolarHBondContact O-N 3.38Å; A309-L314 PolarHBondContact O-N 3.47Å; A309-V317 HydrophobicContact CB-CG2 3.81Å; A309-V346 HydrophobicContact CB-CG1 3.95Å; A309-V346 HydrophobicContact CB-CG2 4.11Å
310	K	92.3	Very high	93.2	Very high	90 Å²	90	42.4 Å²	42.4	39%	0.391	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-44.4	176.4	-76.3	-174.6	164.4	-179.1	0	112.9	C306 L307 Y308 H312 N313 F341	C306-K310 WeakPolarHBondContact O-CB 3.35Å; C306-K310 WeakPolarHBondContact O-CG 3.39Å; C306-K310 PolarHBondContact O-N 2.91Å; L307-K310 PolarHBondContact O-N 2.95Å; Y308-K310 PolarHBondContact O-N 3.34Å; K310-H312 PolarHBondContact O-N 3.24Å; K310-N313 PolarHBondContact O-N 3.08Å; K310-F341 PolarHBondContact NZ-O 3.37Å
311	L	94.9	Very high	92.7	Very high	121 Å²	121	40.6 Å²	40.6	63%	0.634	21%	0.207	S	C	*	.	H	α-helix	trans	-58.2	-33.6	179.3	-178.1	63.8	0	0	0	112.2	L307 Y308	L307-L311 VanDerWaalsContact O-CB 3.25Å; L307-L311 WeakPolarHBondContact O-CB 3.45Å; L307-L311 PolarHBondContact O-N 3.41Å; Y308-L311 PolarHBondContact O-N 2.67Å
312	H	94.9	Very high	91.7	Very high	54 Å²	54	42.9 Å²	42.9	25%	0.25	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	9.4	-178.2	-66.7	-78.8	0	0	0	114.3	K200 I210 Y308 A309 K310 L314	K200-H312 HydrophobicContact CD-CB 4.23Å; I210-H312 WeakPolarHBondContact CD1-CD2 3.21Å; I210-H312 WeakPolarHBondContact CD1-NE2 3.31Å; Y308-H312 PolarHBondContact O-CD2 2.89Å; Y308-H312 VanDerWaalsContact O-CD2 3.27Å; Y308-H312 PolarHBondContact O-N 3.04Å; Y308-H312 VanDerWaalsContact O-N 3.07Å; A309-H312 CarbonylContact O-C 3.28Å; A309-H312 PolarHBondContact O-N 2.9Å; K310-H312 PolarHBondContact O-N 3.24Å; H312-L314 HydrophobicContact CB-CD1 4.06Å; H312-L314 HydrophobicContact CB-CG 4.07Å; H312-L314 PolarHBondContact O-N 3.4Å
313	N	94.3	Very high	91	Very high	150 Å²	150	43 Å²	43	80%	0.802	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	45.4	-179	-56.7	-55.9	0	0	0	113.8	A309 K310	A309-N313 PolarHBondContact O-N 3.38Å; K310-N313 PolarHBondContact O-N 3.08Å
314	L	93.8	Very high	90.4	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.058	20%	0.2	C	C	.	.			trans	-105.6	132.7	178.9	-58.3	174.4	0	0	0	110.2	P186 L188 K200 A309 H312	P186-L314 HydrophobicContact CB-CD2 3.72Å; P186-L314 HydrophobicContact CG-CD2 3.69Å; L188-L314 HydrophobicContact CB-CD1 3.93Å; L188-L314 HydrophobicContact CD1-CD1 4.17Å; K200-L314 HydrophobicContact CG-CD1 4.15Å; A309-L314 PolarHBondContact O-N 3.47Å; H312-L314 HydrophobicContact CB-CD1 4.06Å; H312-L314 HydrophobicContact CB-CG 4.07Å; H312-L314 PolarHBondContact O-N 3.4Å
315	S	91.8	Very high	89.1	Confident	71 Å²	71	40.2 Å²	40.2	50%	0.497	20%	0.201	S	C	.	.			trans	-96.9	-17.1	176.3	56.5	0	0	0	0	113.5	V346 Q347	S315-V346 CarbonylContact O-C 3.48Å; S315-V346 WeakPolarHBondContact O-CA 3.3Å; S315-Q347 PolarHBondContact O-N 2.77Å
316	R	93.2	Very high	87.6	Confident	40 Å²	40	40.7 Å²	40.7	15%	0.151	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.6	-177.6	-66	179.4	-65.7	-166.4	-6.5	111.1	D183 I184 F185 P186 L188 Y318 L349	D183-R316 PolarHBondContact O-NH1 3.34Å; I184-R316 VanDerWaalsContact C-NH2 3.35Å; I184-R316 PolarHBondContact O-NH1 2.91Å; I184-R316 PolarHBondContact O-NH2 3.36Å; I184-R316 VanDerWaalsContact O-NH2 3.11Å; F185-R316 PolarHBondContact O-NH2 3.16Å; P186-R316 PolarHBondContact O-NE 2.95Å; P186-R316 PolarHBondContact O-NH2 3.3Å; L188-R316 PolarHBondContact N-O 3.22Å; R316-Y318 HydrophobicContact CB-CE2 4.36Å; R316-L349 HydrophobicContact CB-CD1 4.26Å; R316-L349 HydrophobicContact CG-CD1 4.31Å
317	V	95.6	Very high	86.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.5	175.4	-174	0	0	0	0	109.6	L188 V190 A305 A309 F319 V346 Q347 L349	L188-V317 HydrophobicContact CB-CB 4.41Å; L188-V317 HydrophobicContact CB-CG1 4.2Å; L188-V317 HydrophobicContact CB-CG2 4.05Å; L188-V317 HydrophobicContact CD2-CG1 4.01Å; L188-V317 HydrophobicContact CD2-CG2 4.01Å; L188-V317 HydrophobicContact CG-CG1 4.35Å; L188-V317 CarbonylContact O-C 3.6Å; L188-V317 WeakPolarHBondContact O-CA 3.45Å; V190-V317 HydrophobicContact CG2-CG1 3.64Å; A305-V317 HydrophobicContact CB-CG1 4.29Å; A309-V317 HydrophobicContact CB-CG2 3.81Å; V317-F319 HydrophobicContact CB-CE2 4.03Å; V317-F319 HydrophobicContact CB-CZ 4.41Å; V317-F319 HydrophobicContact CG1-CD2 4.26Å; V317-F319 HydrophobicContact CG1-CE1 4.34Å; V317-F319 HydrophobicContact CG1-CE2 3.52Å; V317-F319 HydrophobicContact CG1-CZ 3.54Å; V317-V346 HydrophobicContact CB-CG1 4.43Å; V317-V346 HydrophobicContact CG2-CG1 3.42Å; V317-V346 VanDerWaalsContact CG2-CG1 3.42Å; V317-Q347 PolarHBondContact N-O 3.27Å; V317-L349 PolarHBondContact O-N 3.49Å
318	Y	95.1	Very high	86	Confident	6 Å²	6	36.7 Å²	36.7	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.3	172.8	-62.9	-80.4	0	0	0	110	L157 A164 Y187 L188 L189 V190 R316 L349 L351	L157-Y318 HydrophobicContact CD1-CD2 4.46Å; L157-Y318 HydrophobicContact CD1-CE1 4.24Å; L157-Y318 HydrophobicContact CD1-CE2 4.11Å; L157-Y318 HydrophobicContact CD2-CD1 4.34Å; L157-Y318 HydrophobicContact CD2-CE1 3.74Å; A164-Y318 HydrophobicContact CB-CD1 4.38Å; A164-Y318 HydrophobicContact CB-CE1 3.7Å; Y187-Y318 HydrophobicContact CD1-CE2 4.3Å; Y187-Y318 AromaticContact CD2-CD2 3.46Å; Y187-Y318 HydrophobicContact CD2-CD2 3.46Å; Y187-Y318 VanDerWaalsContact CD2-CD2 3.46Å; Y187-Y318 AromaticContact CD2-CE2 3.98Å; Y187-Y318 HydrophobicContact CD2-CE2 3.98Å; Y187-Y318 HydrophobicContact CE2-CD2 4.1Å; Y187-Y318 AromaticContact CG-CD2 3.72Å; Y187-Y318 HydrophobicContact CG-CD2 3.72Å; Y187-Y318 AromaticContact CG-CE2 3.74Å; Y187-Y318 HydrophobicContact CG-CE2 3.74Å; L188-Y318 PolarHBondContact O-N 3.33Å; L189-Y318 WeakPolarHBondContact CA-O 3.15Å; V190-Y318 PolarHBondContact N-O 3.33Å; R316-Y318 HydrophobicContact CB-CE2 4.36Å; Y318-L349 CarbonylContact C-O 3.58Å; Y318-L349 WeakPolarHBondContact CA-O 3.43Å; Y318-L349 HydrophobicContact CD1-CB 3.52Å; Y318-L349 HydrophobicContact CD1-CD1 4.08Å; Y318-L349 HydrophobicContact CD1-CG 4.44Å; Y318-L349 HydrophobicContact CE1-CB 3.73Å; Y318-L349 HydrophobicContact CE1-CD1 3.49Å; Y318-L349 VanDerWaalsContact CE1-CD1 3.49Å; Y318-L349 HydrophobicContact CE1-CG 4.2Å; Y318-L349 HydrophobicContact CE2-CD1 4.38Å; Y318-L349 HydrophobicContact CG-CB 4.31Å; Y318-L351 HydrophobicContact CD1-CD2 3.86Å; Y318-L351 HydrophobicContact CD1-CG 4.47Å; Y318-L351 HydrophobicContact CE1-CD2 4.38Å
319	F	93.6	Very high	85.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.7	172.8	-69	-85.4	0	0	0	108.7	V190 I192 I301 A305 V317 I324 I334 I338 A348 L349 F350	V190-F319 HydrophobicContact CB-CD1 3.72Å; V190-F319 HydrophobicContact CB-CE1 3.68Å; V190-F319 HydrophobicContact CB-CZ 4.46Å; V190-F319 HydrophobicContact CG1-CD1 3.9Å; V190-F319 HydrophobicContact CG1-CE1 3.75Å; V190-F319 HydrophobicContact CG2-CD1 4.46Å; V190-F319 HydrophobicContact CG2-CE1 3.98Å; V190-F319 HydrophobicContact CG2-CZ 4.35Å; V190-F319 WeakPolarHBondContact O-CA 3.46Å; I192-F319 HydrophobicContact CD1-CD1 4Å; I301-F319 HydrophobicContact CG2-CD1 4.5Å; I301-F319 HydrophobicContact CG2-CE1 4.05Å; A305-F319 HydrophobicContact CB-CE1 3.98Å; A305-F319 HydrophobicContact CB-CZ 3.66Å; V317-F319 HydrophobicContact CB-CE2 4.03Å; V317-F319 HydrophobicContact CB-CZ 4.41Å; V317-F319 HydrophobicContact CG1-CD2 4.26Å; V317-F319 HydrophobicContact CG1-CE1 4.34Å; V317-F319 HydrophobicContact CG1-CE2 3.52Å; V317-F319 HydrophobicContact CG1-CZ 3.54Å; F319-I324 HydrophobicContact CB-CD1 4Å; F319-I324 WeakPolarHBondContact O-CD1 3.37Å; F319-I334 HydrophobicContact CD1-CD1 4.38Å; F319-I334 HydrophobicContact CD1-CG2 4.02Å; F319-I334 HydrophobicContact CD2-CG2 4.02Å; F319-I334 HydrophobicContact CE1-CG2 3.72Å; F319-I334 HydrophobicContact CE2-CG2 3.73Å; F319-I334 HydrophobicContact CG-CG2 4.18Å; F319-I334 HydrophobicContact CZ-CG2 3.6Å; F319-I338 HydrophobicContact CE1-CD1 4.44Å; F319-I338 HydrophobicContact CE2-CD1 3.41Å; F319-I338 VanDerWaalsContact CE2-CD1 3.41Å; F319-I338 HydrophobicContact CZ-CD1 3.28Å; F319-A348 HydrophobicContact CD2-CB 4.34Å; F319-A348 HydrophobicContact CE2-CB 3.9Å; F319-L349 PolarHBondContact N-O 2.73Å; F319-F350 HydrophobicContact CB-CD1 3.76Å; F319-F350 HydrophobicContact CB-CE1 3.78Å; F319-F350 HydrophobicContact CD2-CE1 4.21Å; F319-F350 HydrophobicContact CG-CE1 4.11Å
320	G	87.7	Confident	84.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	176.1	175.8	0	0	0	0	0	111.8	V190 I192	V190-G320 PolarHBondContact O-N 2.92Å; I192-G320 PolarHBondContact N-O 3.16Å
321	G	80.6	Confident	84.5	Confident	8 Å²	8	31.3 Å²	31.3	8%	0.082	17%	0.166	C	C	.	.	S	Bend	trans	96.1	165.9	173.1	0	0	0	0	0	114.3	N191 I192 F323 I324	N191-G321 WeakPolarHBondContact OD1-CA 3Å; N191-G321 PolarHBondContact OD1-N 3.05Å; I192-G321 CarbonylContact O-C 3.54Å; I192-G321 WeakPolarHBondContact O-CA 3.38Å; G321-F323 VanDerWaalsContact C-N 3.3Å; G321-F323 PolarHBondContact O-N 3.48Å; G321-I324 WeakPolarHBondContact O-CG1 3.19Å
322	F	73.1	Confident	84.1	Confident	50 Å²	50	27.9 Å²	27.9	22%	0.219	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-69.4	-24.5	-164.6	-172.4	-108.7	0	0	0	114.5	L45 I192 F233 I324 R325	L45-F322 HydrophobicContact CD1-CD2 3.41Å; L45-F322 VanDerWaalsContact CD1-CD2 3.41Å; L45-F322 HydrophobicContact CD1-CE1 4.44Å; L45-F322 HydrophobicContact CD1-CE2 3.08Å; L45-F322 HydrophobicContact CD1-CG 4.21Å; L45-F322 HydrophobicContact CD1-CZ 3.67Å; L45-F322 HydrophobicContact CG-CE2 4.25Å; L45-F322 HydrophobicContact CG-CZ 4.45Å; I192-F322 PolarHBondContact O-N 2.67Å; F233-F322 AromaticContact CD1-CE1 3.89Å; F233-F322 HydrophobicContact CD1-CE1 3.89Å; F233-F322 HydrophobicContact CE1-CD1 4.28Å; F233-F322 AromaticContact CE1-CE1 3.95Å; F233-F322 HydrophobicContact CE1-CE1 3.95Å; F322-I324 PolarHBondContact O-N 3.14Å; F322-I324 VanDerWaalsContact O-N 3.17Å; F322-R325 HydrophobicContact CD2-CB 4.18Å; F322-R325 HydrophobicContact CD2-CG 4.4Å; F322-R325 HydrophobicContact CE2-CB 4.23Å; F322-R325 HydrophobicContact CE2-CG 4.18Å; F322-R325 VanDerWaalsContact O-CB 3.28Å; F322-R325 WeakPolarHBondContact O-CB 3.18Å; F322-R325 PolarHBondContact O-N 3.35Å
323	F	76.9	Confident	83.6	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-61.8	-26.3	-175.6	-177.8	-112.4	0	0	0	113.8	I192 F220 F233 L294 I297 I301 G321 T330	I192-F323 HydrophobicContact CB-CB 3.98Å; I192-F323 HydrophobicContact CD1-CD1 4.37Å; I192-F323 HydrophobicContact CG2-CB 3.39Å; I192-F323 HydrophobicContact CG2-CD1 3.65Å; I192-F323 HydrophobicContact CG2-CG 3.74Å; I192-F323 PolarHBondContact O-N 3.06Å; F220-F323 HydrophobicContact CB-CD2 4.46Å; F220-F323 HydrophobicContact CB-CE2 3.63Å; F220-F323 HydrophobicContact CB-CZ 4.36Å; F220-F323 AromaticContact CD1-CE2 3.84Å; F220-F323 HydrophobicContact CD1-CE2 3.84Å; F220-F323 HydrophobicContact CD2-CE2 4.4Å; F220-F323 AromaticContact CG-CE2 3.69Å; F220-F323 HydrophobicContact CG-CE2 3.69Å; F220-F323 HydrophobicContact CG-CZ 4.4Å; F233-F323 HydrophobicContact CE2-CD2 4.24Å; F233-F323 AromaticContact CZ-CD2 3.9Å; F233-F323 HydrophobicContact CZ-CD2 3.9Å; L294-F323 HydrophobicContact CD1-CE1 4.36Å; L294-F323 HydrophobicContact CD1-CE2 4.19Å; L294-F323 HydrophobicContact CD1-CZ 3.61Å; I297-F323 HydrophobicContact CB-CZ 4.49Å; I297-F323 HydrophobicContact CG2-CE1 4.2Å; I297-F323 HydrophobicContact CG2-CZ 3.89Å; I301-F323 HydrophobicContact CD1-CD1 4.47Å; I301-F323 HydrophobicContact CD1-CE1 4.32Å; G321-F323 VanDerWaalsContact C-N 3.3Å; G321-F323 PolarHBondContact O-N 3.48Å; F323-T330 HydrophobicContact CD1-CG2 3.65Å; F323-T330 HydrophobicContact CE1-CG2 3.42Å; F323-T330 VanDerWaalsContact CE1-CG2 3.42Å; F323-T330 HydrophobicContact CZ-CG2 4.19Å
324	I	75.4	Confident	83.3	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-96.5	-3.6	-177.5	53.1	162.3	0	0	0	113.6	I192 F319 G321 F322 G326 H327 T330 I334 F350 E354	I192-I324 HydrophobicContact CD1-CG2 3.84Å; F319-I324 HydrophobicContact CB-CD1 4Å; F319-I324 WeakPolarHBondContact O-CD1 3.37Å; G321-I324 WeakPolarHBondContact O-CG1 3.19Å; F322-I324 PolarHBondContact O-N 3.14Å; F322-I324 VanDerWaalsContact O-N 3.17Å; I324-G326 PolarHBondContact O-N 3.21Å; I324-H327 PolarHBondContact O-N 3.22Å; I324-H327 VanDerWaalsContact O-N 3.09Å; I324-T330 HydrophobicContact CG2-CG2 3.87Å; I324-I334 HydrophobicContact CG2-CD1 3.89Å; I324-F350 HydrophobicContact CD1-CD1 3.9Å; I324-F350 HydrophobicContact CG2-CE1 4.48Å; I324-E354 HydrophobicContact CD1-CG 4.23Å; I324-E354 HydrophobicContact CG1-CG 4.36Å
325	R	68.2	Low	83.1	Confident	61 Å²	61	18.6 Å²	18.6	23%	0.23	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	91.4	-168	-172.5	-142	-168.6	155.7	-3.6	114.2	K93 F322 H327 E354 D406	K93-R325 VanDerWaalsContact CE-CZ 3.42Å; F322-R325 HydrophobicContact CD2-CB 4.18Å; F322-R325 HydrophobicContact CD2-CG 4.4Å; F322-R325 HydrophobicContact CE2-CB 4.23Å; F322-R325 HydrophobicContact CE2-CG 4.18Å; F322-R325 VanDerWaalsContact O-CB 3.28Å; F322-R325 WeakPolarHBondContact O-CB 3.18Å; F322-R325 PolarHBondContact O-N 3.35Å; R325-H327 PolarHBondContact O-CD2 3.18Å; R325-H327 PolarHBondContact O-N 3.07Å; R325-H327 VanDerWaalsContact O-N 3.13Å; R325-H327 PolarHBondContact O-NE2 3.43Å; R325-E354 WeakPolarHBondContact CA-OE1 3.49Å; R325-D406 IonicContact CZ-OD2 2.67Å; R325-D406 IonicContact NE-OD2 2.66Å; R325-D406 IonicContact NH2-OD1 2.73Å; R325-D406 IonicContact NH2-OD2 2.71Å; R325-D406 PolarHBondContact NH2-OD2 3.18Å
326	G	62.2	Low	82.7	Confident	11 Å²	11	21.3 Å²	21.3	11%	0.113	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	24.7	178.5	0	0	0	0	0	113.9	I324 P328 V390	I324-G326 PolarHBondContact O-N 3.21Å; G326-P328 VanDerWaalsContact C-CD 3.46Å; G326-P328 WeakPolarHBondContact O-CD 3.37Å; G326-V390 WeakPolarHBondContact O-CG2 3.28Å
327	H	74.3	Confident	82.3	Confident	17 Å²	17	19.5 Å²	19.5	8%	0.079	9%	0.093	C	C	.	.			trans	-102.3	90.3	-179.9	-71.2	-66.6	0	0	0	111.7	L237 I324 R325 V329 T330 M331 V390	L237-H327 WeakPolarHBondContact CD1-CD2 3.29Å; L237-H327 WeakPolarHBondContact CD1-CE1 3.39Å; L237-H327 WeakPolarHBondContact CD1-NE2 3.18Å; I324-H327 PolarHBondContact O-N 3.22Å; I324-H327 VanDerWaalsContact O-N 3.09Å; R325-H327 PolarHBondContact O-CD2 3.18Å; R325-H327 PolarHBondContact O-N 3.07Å; R325-H327 VanDerWaalsContact O-N 3.13Å; R325-H327 PolarHBondContact O-NE2 3.43Å; H327-V329 PolarHBondContact O-N 3.31Å; H327-T330 PolarHBondContact O-N 2.89Å; H327-M331 PolarHBondContact O-N 2.77Å; H327-V390 WeakPolarHBondContact ND1-CG2 3.43Å
328	P	78.4	Confident	81.9	Confident	18 Å²	18	19.6 Å²	19.6	12%	0.117	9%	0.094	C	C	.	.	H	α-helix	trans	-40.8	-43.4	176.5	-41.1	38.4	0	0	0	116.1	Y167 G326 T330 M331 H332	Y167-P328 HydrophobicContact CE1-CB 3.97Å; Y167-P328 WeakPolarHBondContact CE1-O 3.33Å; Y167-P328 HydrophobicContact CE2-CB 4.3Å; Y167-P328 HydrophobicContact CE2-CG 4.49Å; Y167-P328 WeakPolarHBondContact OH-CB 3.38Å; G326-P328 VanDerWaalsContact C-CD 3.46Å; G326-P328 WeakPolarHBondContact O-CD 3.37Å; P328-T330 PolarHBondContact O-N 2.9Å; P328-M331 PolarHBondContact O-N 2.88Å; P328-H332 WeakPolarHBondContact O-CB 3.21Å; P328-H332 PolarHBondContact O-N 3.1Å
329	V	77.9	Confident	81.5	Confident	30 Å²	30	23.2 Å²	23.2	18%	0.182	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-42.2	-176.1	-178.4	0	0	0	0	111.4	L294 H327 T333	L294-V329 HydrophobicContact CD2-CB 4.21Å; L294-V329 HydrophobicContact CD2-CG1 3.62Å; H327-V329 PolarHBondContact O-N 3.31Å; V329-T333 WeakPolarHBondContact O-CB 3.28Å; V329-T333 PolarHBondContact O-N 2.86Å; V329-T333 VanDerWaalsContact O-N 3.09Å; V329-T333 PolarHBondContact O-OG1 3.17Å
330	T	83.9	Confident	80.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-49.4	178.2	-49.8	0	0	0	0	110.4	L294 F323 I324 H327 P328 H332 T333 I334	L294-T330 HydrophobicContact CD1-CG2 4.43Å; F323-T330 HydrophobicContact CD1-CG2 3.65Å; F323-T330 HydrophobicContact CE1-CG2 3.42Å; F323-T330 VanDerWaalsContact CE1-CG2 3.42Å; F323-T330 HydrophobicContact CZ-CG2 4.19Å; I324-T330 HydrophobicContact CG2-CG2 3.87Å; H327-T330 PolarHBondContact O-N 2.89Å; P328-T330 PolarHBondContact O-N 2.9Å; T330-H332 VanDerWaalsContact C-N 3.33Å; T330-H332 PolarHBondContact O-N 3.13Å; T330-T333 PolarHBondContact O-N 3.24Å; T330-I334 HydrophobicContact CG2-CD1 4.11Å; T330-I334 WeakPolarHBondContact O-CG1 3.36Å; T330-I334 PolarHBondContact O-N 3.24Å
331	M	88.7	Confident	80.6	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-42.5	179.3	-65.3	-172.1	-113.3	0	0	111.9	F165 Y167 H327 P328 T333 I334 T335 F350	F165-M331 HydrophobicContact CE2-SD 3.8Å; F165-M331 HydrophobicContact CZ-SD 3.96Å; Y167-M331 HydrophobicContact CD1-CB 3.73Å; Y167-M331 HydrophobicContact CG-CB 3.86Å; Y167-M331 HydrophobicContact CG-SD 4.39Å; H327-M331 PolarHBondContact O-N 2.77Å; P328-M331 PolarHBondContact O-N 2.88Å; M331-T333 PolarHBondContact O-N 3.23Å; M331-I334 PolarHBondContact O-N 2.6Å; M331-T335 WeakPolarHBondContact O-CB 3.38Å; M331-T335 PolarHBondContact O-N 3.37Å; M331-T335 PolarHBondContact O-OG1 3.32Å; M331-F350 HydrophobicContact CB-CD1 4.38Å; M331-F350 HydrophobicContact CB-CD2 4.31Å; M331-F350 HydrophobicContact CB-CE1 3.9Å; M331-F350 HydrophobicContact CB-CE2 3.84Å; M331-F350 HydrophobicContact CB-CZ 3.62Å; M331-F350 HydrophobicContact CG-CD1 3.76Å; M331-F350 HydrophobicContact CG-CD2 4.3Å; M331-F350 HydrophobicContact CG-CE1 3.66Å; M331-F350 HydrophobicContact CG-CE2 4.22Å; M331-F350 HydrophobicContact CG-CG 4.09Å; M331-F350 HydrophobicContact CG-CZ 3.92Å; M331-F350 WeakPolarHBondContact O-CZ 3.45Å; M331-F350 HydrophobicContact SD-CB 4.27Å; M331-F350 HydrophobicContact SD-CD1 4.07Å; M331-F350 HydrophobicContact SD-CD2 4.13Å; M331-F350 HydrophobicContact SD-CG 3.86Å
332	H	86.4	Confident	80.8	Confident	48 Å²	48	29.5 Å²	29.5	22%	0.222	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-47.3	175.9	178.8	59	0	0	0	112	Y167 K169 P328 T330 T335 Y336	Y167-H332 HydrophobicContact CD1-CB 4.04Å; Y167-H332 HydrophobicContact CE1-CB 3.88Å; K169-H332 HydrophobicContact CB-CB 4.34Å; P328-H332 WeakPolarHBondContact O-CB 3.21Å; P328-H332 PolarHBondContact O-N 3.1Å; T330-H332 VanDerWaalsContact C-N 3.33Å; T330-H332 PolarHBondContact O-N 3.13Å; H332-T335 PolarHBondContact O-N 3.22Å; H332-Y336 VanDerWaalsContact O-CB 3.28Å; H332-Y336 WeakPolarHBondContact O-CB 3.33Å; H332-Y336 PolarHBondContact O-N 2.84Å
333	T	83.9	Confident	81.3	Confident	8 Å²	8	36.3 Å²	36.3	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-43.1	-176.8	-52.9	0	0	0	0	111	N299 V329 T330 M331 S337	N299-T333 WeakPolarHBondContact OD1-CG2 3.41Å; V329-T333 WeakPolarHBondContact O-CB 3.28Å; V329-T333 PolarHBondContact O-N 2.86Å; V329-T333 VanDerWaalsContact O-N 3.09Å; V329-T333 PolarHBondContact O-OG1 3.17Å; T330-T333 PolarHBondContact O-N 3.24Å; M331-T333 PolarHBondContact O-N 3.23Å; T333-S337 WeakPolarHBondContact O-CB 3.4Å; T333-S337 PolarHBondContact O-N 3.07Å
334	I	89.7	Confident	81.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-48.7	175.2	-68.6	171.4	0	0	0	110.6	I192 F319 I324 T330 M331 Y336 S337 I338 F350	I192-I334 HydrophobicContact CD1-CD1 3.94Å; F319-I334 HydrophobicContact CD1-CD1 4.38Å; F319-I334 HydrophobicContact CD1-CG2 4.02Å; F319-I334 HydrophobicContact CD2-CG2 4.02Å; F319-I334 HydrophobicContact CE1-CG2 3.72Å; F319-I334 HydrophobicContact CE2-CG2 3.73Å; F319-I334 HydrophobicContact CG-CG2 4.18Å; F319-I334 HydrophobicContact CZ-CG2 3.6Å; I324-I334 HydrophobicContact CG2-CD1 3.89Å; T330-I334 HydrophobicContact CG2-CD1 4.11Å; T330-I334 WeakPolarHBondContact O-CG1 3.36Å; T330-I334 PolarHBondContact O-N 3.24Å; M331-I334 PolarHBondContact O-N 2.6Å; I334-Y336 PolarHBondContact O-N 3.28Å; I334-S337 PolarHBondContact O-N 3.18Å; I334-I338 HydrophobicContact CG2-CD1 3.73Å; I334-I338 WeakPolarHBondContact O-CG1 3.26Å; I334-I338 PolarHBondContact O-N 3.26Å; I334-F350 HydrophobicContact CB-CZ 4.35Å; I334-F350 HydrophobicContact CG2-CZ 4.27Å
335	T	88.9	Confident	82.2	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-45.3	-179.7	-56.4	0	0	0	0	111.5	V166 Y167 M331 H332 I338 N339 F350	V166-T335 HydrophobicContact CG1-CG2 4.4Å; Y167-T335 PolarHBondContact O-OG1 3.48Å; M331-T335 WeakPolarHBondContact O-CB 3.38Å; M331-T335 PolarHBondContact O-N 3.37Å; M331-T335 PolarHBondContact O-OG1 3.32Å; H332-T335 PolarHBondContact O-N 3.22Å; T335-I338 PolarHBondContact O-N 3Å; T335-N339 WeakPolarHBondContact O-CB 3.46Å; T335-N339 PolarHBondContact O-N 2.98Å; T335-F350 WeakPolarHBondContact OG1-CE2 3.4Å
336	Y	83.9	Confident	83.2	Confident	128 Å²	128	42.1 Å²	42.1	50%	0.502	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-47.9	177.2	178.9	-93	0	0	0	111.5	H332 I334 I338 N339 F340	H332-Y336 VanDerWaalsContact O-CB 3.28Å; H332-Y336 WeakPolarHBondContact O-CB 3.33Å; H332-Y336 PolarHBondContact O-N 2.84Å; I334-Y336 PolarHBondContact O-N 3.28Å; Y336-I338 PolarHBondContact O-N 3.39Å; Y336-N339 PolarHBondContact O-N 3.41Å; Y336-F340 VanDerWaalsContact O-CB 3.31Å; Y336-F340 WeakPolarHBondContact O-CB 3.3Å; Y336-F340 PolarHBondContact O-N 3.47Å
337	S	84.6	Confident	84.6	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-49.8	178.4	-178.6	0	0	0	0	111	T333 I334 F340 F341	T333-S337 WeakPolarHBondContact O-CB 3.4Å; T333-S337 PolarHBondContact O-N 3.07Å; I334-S337 PolarHBondContact O-N 3.18Å; S337-F340 WeakPolarHBondContact O-CB 3.36Å; S337-F340 PolarHBondContact O-N 3.43Å; S337-F341 WeakPolarHBondContact O-CD2 3.45Å; S337-F341 PolarHBondContact O-N 3.15Å; S337-F341 VanDerWaalsContact O-N 3.11Å
338	I	87.3	Confident	85.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-51	-179.5	-70.7	162.3	0	0	0	111	A305 F319 I334 T335 Y336 F340 F341 T342 V346 A348	A305-I338 HydrophobicContact CB-CD1 4.47Å; F319-I338 HydrophobicContact CE1-CD1 4.44Å; F319-I338 HydrophobicContact CE2-CD1 3.41Å; F319-I338 VanDerWaalsContact CE2-CD1 3.41Å; F319-I338 HydrophobicContact CZ-CD1 3.28Å; I334-I338 HydrophobicContact CG2-CD1 3.73Å; I334-I338 WeakPolarHBondContact O-CG1 3.26Å; I334-I338 PolarHBondContact O-N 3.26Å; T335-I338 PolarHBondContact O-N 3Å; Y336-I338 PolarHBondContact O-N 3.39Å; I338-F340 PolarHBondContact O-N 2.93Å; I338-F341 PolarHBondContact O-N 3.09Å; I338-T342 HydrophobicContact CG2-CG2 4.25Å; I338-T342 WeakPolarHBondContact O-CB 3.39Å; I338-T342 WeakPolarHBondContact O-CG2 3.35Å; I338-T342 PolarHBondContact O-N 3.28Å; I338-T342 PolarHBondContact O-OG1 2.85Å; I338-V346 HydrophobicContact CG2-CB 4.13Å; I338-V346 HydrophobicContact CG2-CG1 4.15Å; I338-V346 WeakPolarHBondContact CG2-O 3.48Å; I338-A348 HydrophobicContact CB-CB 4.45Å; I338-A348 HydrophobicContact CD1-CB 3.64Å; I338-A348 HydrophobicContact CG2-CB 4.49Å
339	N	85.3	Confident	86.2	Confident	82 Å²	82	43.9 Å²	43.9	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-37.5	178.3	-92.5	-7.3	0	0	0	112.5	T335 Y336 K343	T335-N339 WeakPolarHBondContact O-CB 3.46Å; T335-N339 PolarHBondContact O-N 2.98Å; Y336-N339 PolarHBondContact O-N 3.41Å; N339-K343 VanDerWaalsContact O-CA 3.28Å; N339-K343 WeakPolarHBondContact O-CA 3.3Å; N339-K343 PolarHBondContact O-N 2.73Å
340	F	82.2	Confident	87	Confident	65 Å²	65	42.5 Å²	42.5	29%	0.285	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-47.5	177.2	-179.9	-94.6	0	0	0	112.1	L269 Y336 S337 I338	L269-F340 HydrophobicContact CD1-CE1 4.26Å; L269-F340 HydrophobicContact CD1-CZ 4.21Å; L269-F340 HydrophobicContact CD2-CE1 4.46Å; L269-F340 HydrophobicContact CD2-CZ 4.19Å; Y336-F340 VanDerWaalsContact O-CB 3.31Å; Y336-F340 WeakPolarHBondContact O-CB 3.3Å; Y336-F340 PolarHBondContact O-N 3.47Å; S337-F340 WeakPolarHBondContact O-CB 3.36Å; S337-F340 PolarHBondContact O-N 3.43Å; I338-F340 PolarHBondContact O-N 2.93Å
341	F	81.9	Confident	87.3	Confident	75 Å²	75	42.7 Å²	42.7	33%	0.329	21%	0.208	S	C	.	.	H	α-helix	trans	-81.5	-22	-176.8	-68.1	-67.2	0	0	0	114.4	Q303 C306 K310 S337 I338	Q303-F341 HydrophobicContact CG-CD2 3.86Å; Q303-F341 HydrophobicContact CG-CE2 3.3Å; Q303-F341 HydrophobicContact CG-CZ 3.71Å; C306-F341 HydrophobicContact CB-CB 4.29Å; C306-F341 WeakPolarHBondContact SG-CB 3.2Å; K310-F341 PolarHBondContact NZ-O 3.37Å; S337-F341 WeakPolarHBondContact O-CD2 3.45Å; S337-F341 PolarHBondContact O-N 3.15Å; S337-F341 VanDerWaalsContact O-N 3.11Å; I338-F341 PolarHBondContact O-N 3.09Å
342	T	84.8	Confident	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-106.2	-8.7	-177.6	70.3	0	0	0	0	113.4	C306 I338 G344 E345 V346	C306-T342 HydrophobicContact CB-CG2 4.06Å; C306-T342 WeakPolarHBondContact SG-CG2 3.44Å; I338-T342 HydrophobicContact CG2-CG2 4.25Å; I338-T342 WeakPolarHBondContact O-CB 3.39Å; I338-T342 WeakPolarHBondContact O-CG2 3.35Å; I338-T342 PolarHBondContact O-N 3.28Å; I338-T342 PolarHBondContact O-OG1 2.85Å; T342-G344 PolarHBondContact O-N 3.26Å; T342-G344 PolarHBondContact OG1-N 3.22Å; T342-E345 WeakPolarHBondContact O-CB 3.46Å; T342-E345 VanDerWaalsContact O-CG 3.28Å; T342-E345 WeakPolarHBondContact O-CG 3.29Å; T342-E345 PolarHBondContact O-N 3.36Å; T342-V346 HydrophobicContact CG2-CB 3.76Å; T342-V346 HydrophobicContact CG2-CG2 3.65Å; T342-V346 PolarHBondContact OG1-N 3Å
343	K	83.3	Confident	87.5	Confident	194 Å²	194	41.2 Å²	41.2	84%	0.843	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.7	-173.2	-56.7	-179.1	179.2	178.8	0	112.4	N339	N339-K343 VanDerWaalsContact O-CA 3.28Å; N339-K343 WeakPolarHBondContact O-CA 3.3Å; N339-K343 PolarHBondContact O-N 2.73Å
344	G	82.9	Confident	87.5	Confident	48 Å²	48	41.7 Å²	41.7	50%	0.495	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	1.5	-179.6	0	0	0	0	0	115.6	T342 V346	T342-G344 PolarHBondContact O-N 3.26Å; T342-G344 PolarHBondContact OG1-N 3.22Å; G344-V346 PolarHBondContact O-N 3.32Å
345	E	86.9	Confident	87.1	Confident	136 Å²	136	42.1 Å²	42.1	64%	0.636	21%	0.207	S	C	*	.	S	Bend	trans	-65.4	-23.7	176.1	-69.3	172	178.6	0	0	113.2	T342	T342-E345 WeakPolarHBondContact O-CB 3.46Å; T342-E345 VanDerWaalsContact O-CG 3.28Å; T342-E345 WeakPolarHBondContact O-CG 3.29Å; T342-E345 PolarHBondContact O-N 3.36Å
346	V	90.6	Very high	87	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.03	21%	0.206	C	C	.	.	S	Bend	trans	-122.6	130.3	-179.6	-177.6	0	0	0	0	109.4	A309 S315 V317 I338 T342 G344	A309-V346 HydrophobicContact CB-CG1 3.95Å; A309-V346 HydrophobicContact CB-CG2 4.11Å; S315-V346 CarbonylContact O-C 3.48Å; S315-V346 WeakPolarHBondContact O-CA 3.3Å; V317-V346 HydrophobicContact CB-CG1 4.43Å; V317-V346 HydrophobicContact CG2-CG1 3.42Å; V317-V346 VanDerWaalsContact CG2-CG1 3.42Å; I338-V346 HydrophobicContact CG2-CB 4.13Å; I338-V346 HydrophobicContact CG2-CG1 4.15Å; I338-V346 WeakPolarHBondContact CG2-O 3.48Å; T342-V346 HydrophobicContact CG2-CB 3.76Å; T342-V346 HydrophobicContact CG2-CG2 3.65Å; T342-V346 PolarHBondContact OG1-N 3Å; G344-V346 PolarHBondContact O-N 3.32Å
347	Q	90.8	Very high	87.3	Confident	79 Å²	79	36.1 Å²	36.1	37%	0.369	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.4	179.5	-164.8	172.9	41.2	0	0	110.9	V166 S315 V317 L349	V166-Q347 HydrophobicContact CG2-CG 3.85Å; S315-Q347 PolarHBondContact O-N 2.77Å; V317-Q347 PolarHBondContact N-O 3.27Å; Q347-L349 HydrophobicContact CG-CD2 3.94Å; Q347-L349 HydrophobicContact CG-CG 4.09Å
348	A	93.1	Very high	87.6	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.033	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117	170.4	0	0	0	0	0	109.6	F319 I338	F319-A348 HydrophobicContact CD2-CB 4.34Å; F319-A348 HydrophobicContact CE2-CB 3.9Å; I338-A348 HydrophobicContact CB-CB 4.45Å; I338-A348 HydrophobicContact CD1-CB 3.64Å; I338-A348 HydrophobicContact CG2-CB 4.49Å
349	L	93.6	Very high	87.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.7	-177.1	-64.3	166.9	0	0	0	109.7	F165 V166 Q178 R316 V317 Y318 F319 Q347	F165-L349 WeakPolarHBondContact O-CA 3.44Å; V166-L349 HydrophobicContact CG2-CD2 3.73Å; Q178-L349 HydrophobicContact CG-CD2 4.08Å; Q178-L349 VanDerWaalsContact NE2-CD2 3.34Å; R316-L349 HydrophobicContact CB-CD1 4.26Å; R316-L349 HydrophobicContact CG-CD1 4.31Å; V317-L349 PolarHBondContact O-N 3.49Å; Y318-L349 CarbonylContact C-O 3.58Å; Y318-L349 WeakPolarHBondContact CA-O 3.43Å; Y318-L349 HydrophobicContact CD1-CB 3.52Å; Y318-L349 HydrophobicContact CD1-CD1 4.08Å; Y318-L349 HydrophobicContact CD1-CG 4.44Å; Y318-L349 HydrophobicContact CE1-CB 3.73Å; Y318-L349 HydrophobicContact CE1-CD1 3.49Å; Y318-L349 VanDerWaalsContact CE1-CD1 3.49Å; Y318-L349 HydrophobicContact CE1-CG 4.2Å; Y318-L349 HydrophobicContact CE2-CD1 4.38Å; Y318-L349 HydrophobicContact CG-CB 4.31Å; F319-L349 PolarHBondContact N-O 2.73Å; Q347-L349 HydrophobicContact CG-CD2 3.94Å; Q347-L349 HydrophobicContact CG-CG 4.09Å
350	F	93.4	Very high	88	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	160	173.7	-55.8	-81.4	0	0	0	109	A164 F165 F319 I324 M331 I334 T335	A164-F350 CarbonylContact C-O 3.59Å; A164-F350 VanDerWaalsContact CA-O 3.24Å; A164-F350 WeakPolarHBondContact CA-O 3.41Å; F165-F350 HydrophobicContact CD1-CB 4.34Å; F165-F350 HydrophobicContact CD2-CB 4.21Å; F165-F350 HydrophobicContact CD2-CD2 4.5Å; F165-F350 HydrophobicContact CE1-CB 3.87Å; F165-F350 HydrophobicContact CE2-CB 3.72Å; F165-F350 HydrophobicContact CE2-CD2 4.22Å; F165-F350 HydrophobicContact CE2-CG 4.29Å; F165-F350 HydrophobicContact CZ-CB 3.53Å; F165-F350 HydrophobicContact CZ-CG 4.46Å; F165-F350 PolarHBondContact N-O 2.6Å; F165-F350 PolarHBondContact O-N 2.72Å; F319-F350 HydrophobicContact CB-CD1 3.76Å; F319-F350 HydrophobicContact CB-CE1 3.78Å; F319-F350 HydrophobicContact CD2-CE1 4.21Å; F319-F350 HydrophobicContact CG-CE1 4.11Å; I324-F350 HydrophobicContact CD1-CD1 3.9Å; I324-F350 HydrophobicContact CG2-CE1 4.48Å; M331-F350 HydrophobicContact CB-CD1 4.38Å; M331-F350 HydrophobicContact CB-CD2 4.31Å; M331-F350 HydrophobicContact CB-CE1 3.9Å; M331-F350 HydrophobicContact CB-CE2 3.84Å; M331-F350 HydrophobicContact CB-CZ 3.62Å; M331-F350 HydrophobicContact CG-CD1 3.76Å; M331-F350 HydrophobicContact CG-CD2 4.3Å; M331-F350 HydrophobicContact CG-CE1 3.66Å; M331-F350 HydrophobicContact CG-CE2 4.22Å; M331-F350 HydrophobicContact CG-CG 4.09Å; M331-F350 HydrophobicContact CG-CZ 3.92Å; M331-F350 WeakPolarHBondContact O-CZ 3.45Å; M331-F350 HydrophobicContact SD-CB 4.27Å; M331-F350 HydrophobicContact SD-CD1 4.07Å; M331-F350 HydrophobicContact SD-CD2 4.13Å; M331-F350 HydrophobicContact SD-CG 3.86Å; I334-F350 HydrophobicContact CB-CZ 4.35Å; I334-F350 HydrophobicContact CG2-CZ 4.27Å; T335-F350 WeakPolarHBondContact OG1-CE2 3.4Å
351	L	91.2	Very high	88.5	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.1	-178.8	-60.5	170.9	0	0	0	109.1	L157 E163 A164 Y318 H353 E354 L357	L157-L351 HydrophobicContact CD2-CD2 3.63Å; L157-L351 HydrophobicContact CG-CD2 4.19Å; E163-L351 HydrophobicContact CG-CD2 3.98Å; E163-L351 WeakPolarHBondContact O-CA 3.48Å; E163-L351 WeakPolarHBondContact OE1-CB 3.1Å; A164-L351 HydrophobicContact CB-CD2 4.31Å; Y318-L351 HydrophobicContact CD1-CD2 3.86Å; Y318-L351 HydrophobicContact CD1-CG 4.47Å; Y318-L351 HydrophobicContact CE1-CD2 4.38Å; L351-H353 VanDerWaalsContact C-N 3.3Å; L351-E354 HydrophobicContact CB-CB 4.01Å; L351-E354 VanDerWaalsContact O-OE2 3.06Å; L351-L357 HydrophobicContact CD1-CD1 3.76Å; L351-L357 HydrophobicContact CD1-CD2 4.47Å
352	R	90	Very high	88.9	Confident	12 Å²	12	25.6 Å²	25.6	5%	0.045	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.6	174.6	-73.3	177.9	57	-146.4	-16.7	111.9	H162 E163 F165 F177 E379 L387 Y496	H162-R352 WeakPolarHBondContact O-CD 3.38Å; E163-R352 PolarHBondContact O-N 3.09Å; E163-R352 PolarHBondContact OE1-N 3.47Å; E163-R352 VanDerWaalsContact OE1-N 3.14Å; F165-R352 HydrophobicContact CD1-CG 4.21Å; F165-R352 HydrophobicContact CE1-CG 4.2Å; F177-R352 HydrophobicContact CE1-CG 3.99Å; R352-E379 IonicContact CZ-OE1 3.7Å; R352-E379 IonicContact CZ-OE2 3.87Å; R352-E379 IonicContact NH1-OE1 2.92Å; R352-E379 IonicContact NH1-OE2 3.78Å; R352-E379 PolarHBondContact NH1-OE2 3.42Å; R352-E379 VanDerWaalsContact NH2-CD 3.26Å; R352-E379 IonicContact NH2-OE1 2.66Å; R352-E379 PolarHBondContact NH2-OE1 2.9Å; R352-E379 IonicContact NH2-OE2 2.6Å; R352-E379 PolarHBondContact NH2-OE2 3.07Å; R352-L387 HydrophobicContact CG-CD2 4.3Å; R352-Y496 PolarHBondContact NH1-O 2.98Å; R352-Y496 VanDerWaalsContact NH1-O 3.08Å
353	H	88.4	Confident	89.1	Confident	9 Å²	9	25.9 Å²	25.9	4%	0.042	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	30.9	-173.5	-58.3	105.7	0	0	0	112.3	V156 E163 L351 G355 Y356 L408	V156-H353 HydrophobicContact CG1-CB 4.46Å; E163-H353 PolarHBondContact OE1-N 3Å; E163-H353 IonicContact OE1-ND1 2.66Å; E163-H353 IonicContact OE2-CE1 3.85Å; E163-H353 IonicContact OE2-CG 2.69Å; E163-H353 IonicContact OE2-ND1 2.8Å; E163-H353 PolarHBondContact OE2-ND1 3.07Å; L351-H353 VanDerWaalsContact C-N 3.3Å; H353-G355 PolarHBondContact O-N 3.01Å; H353-Y356 HydrophobicContact CB-CD2 4.11Å; H353-Y356 PolarHBondContact O-N 3.43Å; H353-L408 HydrophobicContact CB-CD2 4.27Å
354	E	84.6	Confident	89.2	Confident	18 Å²	18	17.4 Å²	17.4	8%	0.084	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29	178.6	83.4	-67.3	174.1	0	0	113	I324 R325 L351 Y356	I324-E354 HydrophobicContact CD1-CG 4.23Å; I324-E354 HydrophobicContact CG1-CG 4.36Å; R325-E354 WeakPolarHBondContact CA-OE1 3.49Å; L351-E354 HydrophobicContact CB-CB 4.01Å; L351-E354 VanDerWaalsContact O-OE2 3.06Å; E354-Y356 VanDerWaalsContact C-N 3.26Å; E354-Y356 PolarHBondContact O-N 2.96Å
355	G	80.5	Confident	89.2	Confident	10 Å²	10	17.4 Å²	17.4	10%	0.103	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14	179.9	0	0	0	0	0	115.3	K47 H353	K47-G355 WeakPolarHBondContact CD-O 3.36Å; K47-G355 WeakPolarHBondContact CE-O 3.43Å; K47-G355 WeakPolarHBondContact CG-O 3.28Å; H353-G355 PolarHBondContact O-N 3.01Å
356	Y	87.3	Confident	88.7	Confident	13 Å²	13	11.5 Å²	11.5	5%	0.051	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-8.5	-170.4	-60.2	-74.1	0	0	0	114.5	K47 F91 K93 H353 E354 G358 A359 I360 D406 M407 L408	K47-Y356 HydrophobicContact CG-CD1 4.36Å; F91-Y356 HydrophobicContact CB-CD1 3.54Å; F91-Y356 HydrophobicContact CB-CE1 3.88Å; F91-Y356 HydrophobicContact CB-CG 4Å; F91-Y356 WeakPolarHBondContact O-CE1 3.42Å; K93-Y356 HydrophobicContact CB-CD1 4.47Å; K93-Y356 HydrophobicContact CB-CE1 3.61Å; H353-Y356 HydrophobicContact CB-CD2 4.11Å; H353-Y356 PolarHBondContact O-N 3.43Å; E354-Y356 VanDerWaalsContact C-N 3.26Å; E354-Y356 PolarHBondContact O-N 2.96Å; Y356-G358 VanDerWaalsContact C-N 3.33Å; Y356-G358 PolarHBondContact O-N 2.78Å; Y356-A359 PolarHBondContact O-N 2.75Å; Y356-I360 WeakPolarHBondContact O-CG1 3.25Å; Y356-I360 PolarHBondContact O-N 3.37Å; Y356-D406 WeakPolarHBondContact OH-CB 3.43Å; Y356-D406 PolarHBondContact OH-O 2.83Å; Y356-M407 PolarHBondContact OH-N 2.68Å; Y356-L408 HydrophobicContact CE2-CB 4.41Å
357	L	90.9	Very high	87.7	Confident	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-52.9	-45.4	-170	-54.8	-175.8	0	0	0	113.2	L149 G152 C153 V156 L351 I360 G361	L149-L357 HydrophobicContact CD1-CB 3.71Å; L149-L357 HydrophobicContact CD1-CD1 4.15Å; L149-L357 HydrophobicContact CG-CB 4.49Å; G152-L357 WeakPolarHBondContact CA-O 3.34Å; C153-L357 HydrophobicContact CB-CD1 4.11Å; V156-L357 HydrophobicContact CG1-CD2 4.36Å; V156-L357 HydrophobicContact CG2-CD2 3.68Å; L351-L357 HydrophobicContact CD1-CD1 3.76Å; L351-L357 HydrophobicContact CD1-CD2 4.47Å; L357-I360 PolarHBondContact O-N 2.77Å; L357-G361 PolarHBondContact O-N 3.36Å
358	G	91.4	Very high	86.4	Confident	3 Å²	3	11.8 Å²	11.8	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-62.1	-45.1	177.3	0	0	0	0	0	113.1	C148 Y356 G361 A362	C148-G358 WeakPolarHBondContact CB-O 3.45Å; Y356-G358 VanDerWaalsContact C-N 3.33Å; Y356-G358 PolarHBondContact O-N 2.78Å; G358-G361 PolarHBondContact O-N 3.07Å; G358-A362 WeakPolarHBondContact O-CB 3.21Å; G358-A362 PolarHBondContact O-N 3.12Å
359	A	90.6	Very high	84.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-39.9	178.5	0	0	0	0	0	111.9	D40 K47 A49 Y356 A362 F363	D40-A359 HydrophobicContact CB-CB 3.93Å; K47-A359 HydrophobicContact CB-CB 3.84Å; A49-A359 HydrophobicContact CB-CB 4.06Å; Y356-A359 PolarHBondContact O-N 2.75Å; A359-A362 PolarHBondContact O-N 3.04Å; A359-F363 VanDerWaalsContact O-CB 3.3Å; A359-F363 WeakPolarHBondContact O-CB 3.26Å; A359-F363 PolarHBondContact O-N 3.14Å
360	I	90.6	Very high	82.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-50.9	173.4	-64.5	165.2	0	0	0	109.8	F91 F155 V156 Y356 L357 A362 F363 L364	F91-I360 HydrophobicContact CD1-CG1 3.62Å; F91-I360 HydrophobicContact CD2-CG1 4.5Å; F91-I360 HydrophobicContact CE1-CB 4.05Å; F91-I360 HydrophobicContact CE1-CD1 4.47Å; F91-I360 HydrophobicContact CE1-CG1 3.29Å; F91-I360 HydrophobicContact CE2-CG1 4.2Å; F91-I360 HydrophobicContact CG-CG1 4.23Å; F91-I360 HydrophobicContact CZ-CB 4.4Å; F91-I360 HydrophobicContact CZ-CG1 3.61Å; F91-I360 HydrophobicContact CZ-CG2 4.48Å; F155-I360 HydrophobicContact CB-CG2 4.08Å; F155-I360 HydrophobicContact CD1-CG2 3.59Å; F155-I360 HydrophobicContact CE1-CG2 4.26Å; F155-I360 HydrophobicContact CG-CG2 3.99Å; V156-I360 HydrophobicContact CG1-CD1 3.55Å; Y356-I360 WeakPolarHBondContact O-CG1 3.25Å; Y356-I360 PolarHBondContact O-N 3.37Å; L357-I360 PolarHBondContact O-N 2.77Å; I360-A362 PolarHBondContact O-N 3.41Å; I360-F363 WeakPolarHBondContact O-CB 3.48Å; I360-F363 PolarHBondContact O-N 2.86Å; I360-L364 HydrophobicContact CG2-CD1 3.79Å; I360-L364 HydrophobicContact CG2-CG 4.25Å; I360-L364 WeakPolarHBondContact O-CB 3.31Å; I360-L364 VanDerWaalsContact O-CG 3.28Å; I360-L364 WeakPolarHBondContact O-CG 3.46Å; I360-L364 PolarHBondContact O-N 3.49Å
361	G	90.9	Very high	81	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-39.7	-179.9	0	0	0	0	0	114	C148 L357 G358 F363 L364 K365	C148-G361 VanDerWaalsContact O-CA 3.26Å; C148-G361 WeakPolarHBondContact O-CA 3.46Å; L357-G361 PolarHBondContact O-N 3.36Å; G358-G361 PolarHBondContact O-N 3.07Å; G361-F363 VanDerWaalsContact C-N 3.32Å; G361-L364 PolarHBondContact O-N 3.28Å; G361-K365 WeakPolarHBondContact O-CB 3.22Å; G361-K365 WeakPolarHBondContact O-CG 3.5Å; G361-K365 PolarHBondContact O-N 2.89Å
362	A	91	Very high	79.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-39.3	175	0	0	0	0	0	111.5	A38 K119 T121 C148 G358 A359 I360 G366	A38-A362 HydrophobicContact CB-CB 3.94Å; K119-A362 WeakPolarHBondContact CB-O 3.3Å; T121-A362 HydrophobicContact CG2-CB 3.97Å; C148-A362 VanDerWaalsContact SG-CA 3.57Å; C148-A362 PolarHBondContact SG-N 2.83Å; C148-A362 VanDerWaalsContact SG-N 3.43Å; G358-A362 WeakPolarHBondContact O-CB 3.21Å; G358-A362 PolarHBondContact O-N 3.12Å; A359-A362 PolarHBondContact O-N 3.04Å; I360-A362 PolarHBondContact O-N 3.41Å; A362-G366 PolarHBondContact O-N 3.21Å
363	F	88.5	Confident	77.6	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-50.3	174	178.2	-88.9	0	0	0	111.6	R36 A38 A49 Y51 L89 A359 I360 G361 K365 G366 A367	R36-F363 HydrophobicContact CB-CE2 4.05Å; R36-F363 HydrophobicContact CG-CE2 4.02Å; A38-F363 VanDerWaalsContact CB-CA 3.49Å; A38-F363 HydrophobicContact CB-CB 3.83Å; A38-F363 VanDerWaalsContact CB-N 3.33Å; A49-F363 HydrophobicContact CB-CB 3.76Å; A49-F363 HydrophobicContact CB-CD2 4.35Å; A49-F363 HydrophobicContact CB-CG 4.28Å; Y51-F363 VanDerWaalsContact CB-CZ 3.47Å; Y51-F363 HydrophobicContact CD2-CZ 4.28Å; Y51-F363 HydrophobicContact CG-CZ 4.28Å; L89-F363 HydrophobicContact CD1-CE1 4.41Å; L89-F363 HydrophobicContact CD2-CD1 3.85Å; L89-F363 HydrophobicContact CD2-CE1 3.2Å; L89-F363 HydrophobicContact CD2-CE2 4.11Å; L89-F363 HydrophobicContact CD2-CZ 3.38Å; L89-F363 HydrophobicContact CG-CE1 4.43Å; A359-F363 VanDerWaalsContact O-CB 3.3Å; A359-F363 WeakPolarHBondContact O-CB 3.26Å; A359-F363 PolarHBondContact O-N 3.14Å; I360-F363 WeakPolarHBondContact O-CB 3.48Å; I360-F363 PolarHBondContact O-N 2.86Å; G361-F363 VanDerWaalsContact C-N 3.32Å; F363-K365 VanDerWaalsContact C-N 3.29Å; F363-K365 PolarHBondContact O-N 3.33Å; F363-G366 CarbonylContact O-C 3.53Å; F363-G366 WeakPolarHBondContact O-CA 3.36Å; F363-G366 PolarHBondContact O-N 3.37Å; F363-A367 HydrophobicContact CE1-CB 4.04Å; F363-A367 HydrophobicContact CZ-CB 4.39Å; F363-A367 PolarHBondContact O-N 3.12Å
364	L	85.8	Confident	76.5	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-39.3	179.9	-69.7	173	0	0	0	111.6	F155 I360 G361 G366 A367 E368 P372	F155-L364 HydrophobicContact CB-CD1 3.65Å; F155-L364 HydrophobicContact CD2-CD1 3.7Å; F155-L364 HydrophobicContact CD2-CD2 4.01Å; F155-L364 HydrophobicContact CD2-CG 4.47Å; F155-L364 HydrophobicContact CE2-CD1 4.49Å; F155-L364 HydrophobicContact CE2-CD2 4.03Å; F155-L364 HydrophobicContact CG-CD1 3.71Å; I360-L364 HydrophobicContact CG2-CD1 3.79Å; I360-L364 HydrophobicContact CG2-CG 4.25Å; I360-L364 WeakPolarHBondContact O-CB 3.31Å; I360-L364 VanDerWaalsContact O-CG 3.28Å; I360-L364 WeakPolarHBondContact O-CG 3.46Å; I360-L364 PolarHBondContact O-N 3.49Å; G361-L364 PolarHBondContact O-N 3.28Å; L364-G366 VanDerWaalsContact C-N 3.32Å; L364-G366 PolarHBondContact O-N 2.98Å; L364-A367 CarbonylContact O-C 3.58Å; L364-A367 VanDerWaalsContact O-C 3.31Å; L364-A367 WeakPolarHBondContact O-CA 3.05Å; L364-A367 PolarHBondContact O-N 3.43Å; L364-E368 WeakPolarHBondContact O-CG 3.12Å; L364-E368 PolarHBondContact O-N 2.97Å; L364-P372 HydrophobicContact CD2-CB 4.08Å; L364-P372 HydrophobicContact CD2-CG 4.35Å
365	K	83.9	Confident	76	Confident	48 Å²	48	41.9 Å²	41.9	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-40.9	172.6	-85	-79.1	169.4	-148.9	0	113	E143 K151 G361 F363 A367 E368	E143-K365 HydrophobicContact CG-CB 4.24Å; K151-K365 HydrophobicContact CD-CD 4.47Å; K151-K365 HydrophobicContact CD-CG 4.21Å; K151-K365 VanDerWaalsContact CE-CE 3.42Å; G361-K365 WeakPolarHBondContact O-CB 3.22Å; G361-K365 WeakPolarHBondContact O-CG 3.5Å; G361-K365 PolarHBondContact O-N 2.89Å; F363-K365 VanDerWaalsContact C-N 3.29Å; F363-K365 PolarHBondContact O-N 3.33Å; K365-A367 PolarHBondContact O-N 3.37Å; K365-E368 WeakPolarHBondContact CE-OE1 3.29Å; K365-E368 VanDerWaalsContact NZ-CD 3.33Å; K365-E368 IonicContact NZ-OE1 3.26Å; K365-E368 PolarHBondContact NZ-OE1 3.42Å; K365-E368 IonicContact NZ-OE2 3.43Å; K365-E368 PolarHBondContact NZ-OE2 3.46Å
366	G	74.8	Confident	76.1	Confident	12 Å²	12	42 Å²	42	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-70.2	-19.6	172	0	0	0	0	0	114.1	R36 A362 F363 L364	R36-G366 PolarHBondContact NE-O 2.85Å; R36-G366 PolarHBondContact NH2-O 2.76Å; A362-G366 PolarHBondContact O-N 3.21Å; F363-G366 CarbonylContact O-C 3.53Å; F363-G366 WeakPolarHBondContact O-CA 3.36Å; F363-G366 PolarHBondContact O-N 3.37Å; L364-G366 VanDerWaalsContact C-N 3.32Å; L364-G366 PolarHBondContact O-N 2.98Å
367	A	71	Confident	76.1	Confident	7 Å²	7	42 Å²	42	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-102.2	1.4	-179.7	0	0	0	0	0	114.5	F363 L364 K365 E369 D370	F363-A367 HydrophobicContact CE1-CB 4.04Å; F363-A367 HydrophobicContact CZ-CB 4.39Å; F363-A367 PolarHBondContact O-N 3.12Å; L364-A367 CarbonylContact O-C 3.58Å; L364-A367 VanDerWaalsContact O-C 3.31Å; L364-A367 WeakPolarHBondContact O-CA 3.05Å; L364-A367 PolarHBondContact O-N 3.43Å; K365-A367 PolarHBondContact O-N 3.37Å; A367-E369 PolarHBondContact O-N 3.31Å; A367-E369 VanDerWaalsContact O-N 3.08Å; A367-D370 WeakPolarHBondContact O-CA 3.37Å; A367-D370 PolarHBondContact O-N 3.09Å
368	E	63.6	Low	76	Confident	84 Å²	84	42.8 Å²	42.8	39%	0.393	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-59	-21.2	177.8	-82.5	174.2	-178.5	0	0	111.9	K151 L364 K365 D370	K151-E368 WeakPolarHBondContact CE-OE1 3.38Å; K151-E368 IonicContact NZ-OE1 3.76Å; K151-E368 PolarHBondContact NZ-OE1 3.1Å; L364-E368 WeakPolarHBondContact O-CG 3.12Å; L364-E368 PolarHBondContact O-N 2.97Å; K365-E368 WeakPolarHBondContact CE-OE1 3.29Å; K365-E368 VanDerWaalsContact NZ-CD 3.33Å; K365-E368 IonicContact NZ-OE1 3.26Å; K365-E368 PolarHBondContact NZ-OE1 3.42Å; K365-E368 IonicContact NZ-OE2 3.43Å; K365-E368 PolarHBondContact NZ-OE2 3.46Å; E368-D370 VanDerWaalsContact C-N 3.28Å; E368-D370 PolarHBondContact O-N 3.06Å
369	E	52.6	Low	75.9	Confident	170 Å²	170	43 Å²	43	79%	0.794	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-65.8	-25.1	170	-65	179	177.7	0	0	113.5	A367	A367-E369 PolarHBondContact O-N 3.31Å; A367-E369 VanDerWaalsContact O-N 3.08Å
370	D	55.4	Low	75.9	Confident	94 Å²	94	43.2 Å²	43.2	50%	0.503	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-102.2	7.5	-176.1	-60.2	-47.6	0	0	0	113.7	R36 A367 E368	R36-D370 IonicContact CZ-OD2 3.82Å; R36-D370 VanDerWaalsContact CZ-OD2 3.23Å; R36-D370 IonicContact NH1-OD2 3.89Å; R36-D370 PolarHBondContact NH1-OD2 3.42Å; R36-D370 IonicContact NH2-OD2 3.69Å; R36-D370 PolarHBondContact NH2-OD2 2.91Å; A367-D370 WeakPolarHBondContact O-CA 3.37Å; A367-D370 PolarHBondContact O-N 3.09Å; E368-D370 VanDerWaalsContact C-N 3.28Å; E368-D370 PolarHBondContact O-N 3.06Å
371	N	57	Low	75.9	Confident	88 Å²	88	44 Å²	44	47%	0.471	22%	0.224	S	C	.	.			trans	54.8	62.6	174.4	-123.4	-14.5	0	0	0	114.3	N373 Q374	N371-N373 PolarHBondContact O-N 2.9Å; N371-Q374 HydrophobicContact CB-CG 4.22Å; N371-Q374 PolarHBondContact O-N 3.24Å
372	P	54.3	Low	75.6	Confident	24 Å²	24	44 Å²	44	16%	0.156	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.5	-19.7	-169.7	23.9	-34.2	0	0	0	114.8	L364 Q374 Y375	L364-P372 HydrophobicContact CD2-CB 4.08Å; L364-P372 HydrophobicContact CD2-CG 4.35Å; P372-Q374 PolarHBondContact O-N 3.16Å; P372-Y375 PolarHBondContact O-N 3.07Å
373	N	57.3	Low	75.3	Confident	122 Å²	122	44.9 Å²	44.9	65%	0.652	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-74	-6.8	177.4	-66.3	-24.2	0	0	0	114.2	N371 Y375 Q416	N371-N373 PolarHBondContact O-N 2.9Å; N373-Y375 VanDerWaalsContact C-N 3.35Å; N373-Q416 PolarHBondContact O-NE2 3.19Å
374	Q	64.2	Low	75.2	Confident	108 Å²	108	44.7 Å²	44.7	51%	0.505	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-78	-21.3	175	-70.5	-173	-5.6	0	0	113.1	N371 P372	N371-Q374 HydrophobicContact CB-CG 4.22Å; N371-Q374 PolarHBondContact O-N 3.24Å; P372-Q374 PolarHBondContact O-N 3.16Å
375	Y	74.1	Confident	75	Confident	72 Å²	72	46 Å²	46	28%	0.282	24%	0.243	S	C	.	.	S	Bend	trans	-113.4	148.6	-174.5	-54.5	-80.2	0	0	0	110.8	P372 N373 R412	P372-Y375 PolarHBondContact O-N 3.07Å; N373-Y375 VanDerWaalsContact C-N 3.35Å; Y375-R412 HydrophobicContact CD1-CG 4.2Å; Y375-R412 HydrophobicContact CG-CG 3.97Å
376	S	83.5	Confident	74.8	Confident	13 Å²	13	44.2 Å²	44.2	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150	165.6	-68.6	0	0	0	0	110.1	L413 R415 L417	S376-L413 WeakPolarHBondContact O-CB 3.32Å; S376-L413 PolarHBondContact O-N 3.48Å; S376-R415 WeakPolarHBondContact CB-O 3.35Å; S376-R415 PolarHBondContact N-O 3.04Å; S376-L417 PolarHBondContact OG-N 2.92Å
377	W	86.9	Confident	74.9	Confident	13 Å²	13	44.5 Å²	44.5	5%	0.049	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.1	176	-58.7	81.9	0	0	0	110.4	L89 F155 N159 M410 D411 R412 R702	L89-W377 HydrophobicContact CB-CZ3 4.33Å; L89-W377 HydrophobicContact CD1-CD2 3.98Å; L89-W377 HydrophobicContact CD1-CE3 3.7Å; L89-W377 HydrophobicContact CD1-CH2 3.66Å; L89-W377 HydrophobicContact CD1-CZ2 3.93Å; L89-W377 HydrophobicContact CD1-CZ3 3.56Å; L89-W377 HydrophobicContact CD2-CH2 4.16Å; L89-W377 HydrophobicContact CD2-CZ3 4.36Å; L89-W377 HydrophobicContact CG-CE3 3.98Å; L89-W377 HydrophobicContact CG-CH2 3.63Å; L89-W377 HydrophobicContact CG-CZ2 4.38Å; L89-W377 HydrophobicContact CG-CZ3 3.4Å; L89-W377 VanDerWaalsContact CG-CZ3 3.4Å; F155-W377 AromaticContact CE2-CD1 3.56Å; F155-W377 HydrophobicContact CE2-CG 4.12Å; F155-W377 AromaticContact CE2-NE1 3.78Å; F155-W377 HydrophobicContact CZ-CB 4.17Å; F155-W377 AromaticContact CZ-CD1 3.64Å; F155-W377 HydrophobicContact CZ-CD2 4.14Å; F155-W377 AromaticContact CZ-CG 3.71Å; F155-W377 HydrophobicContact CZ-CG 3.71Å; N159-W377 HydrophobicContact CB-CB 4.12Å; N159-W377 PolarHBondContact OD1-N 2.95Å; N159-W377 VanDerWaalsContact OD1-N 3.16Å; W377-M410 HydrophobicContact CB-CE 3.72Å; W377-M410 HydrophobicContact CE3-CB 4.35Å; W377-D411 WeakPolarHBondContact CA-O 3.41Å; W377-R412 HydrophobicContact CD2-CB 4.35Å; W377-R412 HydrophobicContact CD2-CG 4.35Å; W377-R412 HydrophobicContact CE3-CB 3.8Å; W377-R412 HydrophobicContact CE3-CG 4.28Å; W377-R412 HydrophobicContact CH2-CB 3.67Å; W377-R412 HydrophobicContact CH2-CG 3.83Å; W377-R412 HydrophobicContact CZ2-CB 4.23Å; W377-R412 HydrophobicContact CZ2-CG 3.9Å; W377-R412 HydrophobicContact CZ3-CB 3.41Å; W377-R412 VanDerWaalsContact CZ3-CB 3.41Å; W377-R412 HydrophobicContact CZ3-CG 4.01Å; W377-R702 PolarHBondContact O-NH2 3.5Å
378	G	87.8	Confident	74.7	Confident	17 Å²	17	48 Å²	48	18%	0.175	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.1	175.8	0	0	0	0	0	111.2	N380 M410 D411	G378-N380 PolarHBondContact O-N 3.31Å; G378-M410 CarbonylContact O-C 3.57Å; G378-M410 WeakPolarHBondContact O-CA 3.44Å; G378-D411 PolarHBondContact N-O 3.41Å; G378-D411 PolarHBondContact O-N 3.04Å
379	E	90.8	Very high	74.2	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.1	173.6	-176.6	-179.4	175	0	0	110.2	R352 Y381 L408 H510	R352-E379 IonicContact CZ-OE1 3.7Å; R352-E379 IonicContact CZ-OE2 3.87Å; R352-E379 IonicContact NH1-OE1 2.92Å; R352-E379 IonicContact NH1-OE2 3.78Å; R352-E379 PolarHBondContact NH1-OE2 3.42Å; R352-E379 VanDerWaalsContact NH2-CD 3.26Å; R352-E379 IonicContact NH2-OE1 2.66Å; R352-E379 PolarHBondContact NH2-OE1 2.9Å; R352-E379 IonicContact NH2-OE2 2.6Å; R352-E379 PolarHBondContact NH2-OE2 3.07Å; E379-Y381 HydrophobicContact CB-CE1 4.15Å; E379-Y381 HydrophobicContact CG-CD1 4.02Å; E379-Y381 HydrophobicContact CG-CE1 3.99Å; E379-Y381 PolarHBondContact O-N 2.88Å; E379-L408 HydrophobicContact CG-CD1 4.02Å; E379-H510 PolarHBondContact O-CE1 3.44Å
380	N	90.4	Very high	74.2	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.027	22%	0.216	C	C	.	.			trans	-87.1	101.6	172.1	-173.3	-59.1	0	0	0	109.4	R88 G378 A382 G383 S384 E409 D411	R88-N380 PolarHBondContact NH2-ND2 3.27Å; R88-N380 VanDerWaalsContact NH2-ND2 3.11Å; G378-N380 PolarHBondContact O-N 3.31Å; N380-A382 PolarHBondContact O-N 3.04Å; N380-A382 WeakPolarHBondContact OD1-CA 3.28Å; N380-A382 WeakPolarHBondContact OD1-CB 3.35Å; N380-A382 PolarHBondContact OD1-N 2.88Å; N380-G383 PolarHBondContact O-N 3.28Å; N380-G383 PolarHBondContact OD1-N 3.3Å; N380-S384 WeakPolarHBondContact O-CB 3.42Å; N380-S384 PolarHBondContact O-N 3.43Å; N380-S384 PolarHBondContact O-OG 3.06Å; N380-E409 HydrophobicContact CB-CB 3.98Å; N380-E409 PolarHBondContact N-O 2.96Å; N380-D411 WeakPolarHBondContact CB-OD2 3.24Å; N380-D411 PolarHBondContact ND2-OD2 2.9Å
381	Y	89.3	Confident	73.5	Confident	16 Å²	16	37.6 Å²	37.6	6%	0.063	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.7	-179.5	-58.5	-46.9	0	0	0	114.5	E379 K485 Y496 D506 H510	E379-Y381 HydrophobicContact CB-CE1 4.15Å; E379-Y381 HydrophobicContact CG-CD1 4.02Å; E379-Y381 HydrophobicContact CG-CE1 3.99Å; E379-Y381 PolarHBondContact O-N 2.88Å; Y381-K485 WeakPolarHBondContact O-CE 3.3Å; Y381-K485 PolarHBondContact O-NZ 3.33Å; Y381-Y496 AromaticContact CD1-CD1 3.97Å; Y381-Y496 HydrophobicContact CD1-CD1 3.97Å; Y381-Y496 AromaticContact CD1-CG 3.99Å; Y381-Y496 HydrophobicContact CD1-CG 3.99Å; Y381-Y496 HydrophobicContact CE1-CG 4.46Å; Y381-D506 HydrophobicContact CD2-CB 4.13Å; Y381-D506 HydrophobicContact CE2-CB 3.99Å; Y381-H510 AromaticContact CD2-CE1 3.81Å; Y381-H510 AromaticContact CD2-ND1 3.58Å; Y381-H510 AromaticContact CG-ND1 3.97Å; Y381-H510 PolarHBondContact N-ND1 2.96Å
382	A	86.3	Confident	72.7	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.017	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-43.2	179.3	0	0	0	0	0	111.3	N380 K481 K485 H510 E514	N380-A382 PolarHBondContact O-N 3.04Å; N380-A382 WeakPolarHBondContact OD1-CA 3.28Å; N380-A382 WeakPolarHBondContact OD1-CB 3.35Å; N380-A382 PolarHBondContact OD1-N 2.88Å; A382-K481 WeakPolarHBondContact O-CE 3.47Å; A382-K481 PolarHBondContact O-NZ 3.46Å; A382-K485 WeakPolarHBondContact O-CE 3.07Å; A382-K485 PolarHBondContact O-NZ 3.25Å; A382-H510 HydrophobicContact CB-CB 3.9Å; A382-E514 VanDerWaalsContact CB-OE2 3.24Å; A382-E514 WeakPolarHBondContact CB-OE2 3.21Å
383	G	83.6	Confident	72	Confident	18 Å²	18	43.3 Å²	43.3	19%	0.186	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-25.9	179	0	0	0	0	0	115.3	N380 E409	N380-G383 PolarHBondContact O-N 3.28Å; N380-G383 PolarHBondContact OD1-N 3.3Å; G383-E409 WeakPolarHBondContact CA-OE2 3.3Å
384	S	86.7	Confident	71	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.014	24%	0.241	C	C	.	.	S	Bend	trans	-76	148	-176	-59.9	0	0	0	0	113.1	N380 E409 K485 Y496	N380-S384 WeakPolarHBondContact O-CB 3.42Å; N380-S384 PolarHBondContact O-N 3.43Å; N380-S384 PolarHBondContact O-OG 3.06Å; S384-E409 PolarHBondContact OG-N 2.85Å; S384-E409 PolarHBondContact OG-O 3.49Å; S384-K485 PolarHBondContact O-NZ 2.78Å; S384-Y496 PolarHBondContact O-OH 3.43Å
385	S	82.3	Confident	69.5	Low	44 Å²	44	42.8 Å²	42.8	31%	0.308	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-84.7	138.8	168.9	-56	0	0	0	0	109.3	M407	S385-M407 WeakPolarHBondContact CB-O 3.49Å; S385-M407 PolarHBondContact N-O 2.85Å; S385-M407 PolarHBondContact OG-N 2.79Å; S385-M407 PolarHBondContact OG-O 3.11Å
386	G	78.7	Confident	67.7	Low	10 Å²	10	44.6 Å²	44.6	10%	0.103	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75.4	159.3	178.5	0	0	0	0	0	113.6	M388 A495	G386-M388 WeakPolarHBondContact O-CE 3.47Å; G386-M388 PolarHBondContact O-N 3.43Å; G386-M388 VanDerWaalsContact O-N 3.15Å; G386-A495 CarbonylContact C-O 3.57Å; G386-A495 VanDerWaalsContact CA-O 3.26Å; G386-A495 WeakPolarHBondContact CA-O 3.4Å
387	L	78.1	Confident	65	Low	18 Å²	18	51.7 Å²	51.7	9%	0.094	30%	0.3	C	S	.	.			trans	-59.4	112.6	164.5	-178.8	66.9	0	0	0	109.2	F165 F175 F177 R352 F494 A495	F165-L387 HydrophobicContact CE1-CD2 3.95Å; F165-L387 HydrophobicContact CZ-CD2 3.98Å; F175-L387 HydrophobicContact CD1-CD2 4.11Å; F175-L387 HydrophobicContact CE1-CD2 3.95Å; F177-L387 HydrophobicContact CZ-CD2 4.47Å; R352-L387 HydrophobicContact CG-CD2 4.3Å; L387-F494 HydrophobicContact CD2-CD2 4.33Å; L387-A495 PolarHBondContact N-O 3.45Å
388	M	67	Low	62.5	Low	80 Å²	80	57.2 Å²	57.2	39%	0.394	33%	0.326	S	S	.	.			trans	-84.6	129.9	-179.7	-65.4	-67	107.9	0	0	110.9	G386	G386-M388 WeakPolarHBondContact O-CE 3.47Å; G386-M388 PolarHBondContact O-N 3.43Å; G386-M388 VanDerWaalsContact O-N 3.15Å
389	S	52.6	Low	60.3	Low	15 Å²	15	62.3 Å²	62.3	11%	0.105	34%	0.34	C	S	.	.			trans	-92.6	117.6	161	-178.6	0	0	0	0	109.1	S391	S389-S391 PolarHBondContact O-N 2.63Å
390	V	51.9	Low	57.4	Low	52 Å²	52	65.7 Å²	65.7	32%	0.315	37%	0.37	S	S	.	.			trans	-77.9	64.7	169.1	-78.9	0	0	0	0	110.6	G326 H327	G326-V390 WeakPolarHBondContact O-CG2 3.28Å; H327-V390 WeakPolarHBondContact ND1-CG2 3.43Å
391	S	40.6	Very low	54.6	Low	62 Å²	62	76.8 Å²	76.8	43%	0.434	41%	0.411	S	S	.	.			trans	-66.3	128.4	162	-68.6	0	0	0	0	108.5	S389 D393 M394	S389-S391 PolarHBondContact O-N 2.63Å; S391-D393 PolarHBondContact O-N 3.14Å; S391-M394 PolarHBondContact O-N 3.21Å
392	P	39.6	Very low	52.2	Low	84 Å²	84	79.7 Å²	79.7	55%	0.545	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.6	-170.9	22.1	-31.3	0	0	0	115.2
393	D	39.7	Very low	50	Low	149 Å²	149	81.8 Å²	81.8	80%	0.797	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.9	-175.6	-64	-39	0	0	0	114.6	S391 N395	S391-D393 PolarHBondContact O-N 3.14Å; D393-N395 PolarHBondContact O-N 2.95Å
394	M	37.5	Very low	48.5	Very low	106 Å²	106	83.3 Å²	83.3	52%	0.522	46%	0.462	S	S	.	.	S	Bend	trans	-94.5	100.1	-178.8	-70.6	-64.6	-114.3	0	0	111.8	S391 H491	S391-M394 PolarHBondContact O-N 3.21Å; M394-H491 HydrophobicContact CE-CB 4.11Å
395	N	32.4	Very low	47.3	Very low	113 Å²	113	84.3 Å²	84.3	60%	0.604	47%	0.466	S	S	*	.			trans	16.2	109.2	164.8	-81.8	-29.3	0	0	0	118.4	D393 M397 Q398	D393-N395 PolarHBondContact O-N 2.95Å; N395-M397 PolarHBondContact O-N 3.49Å; N395-Q398 PolarHBondContact O-N 3.32Å
396	P	35.1	Very low	46.9	Very low	109 Å²	109	84 Å²	84	71%	0.708	46%	0.46	S	S	*	.	H	α-helix	trans	-56.3	-20.3	172.3	-22.9	31.7	0	0	0	114.9	Q398 R399	P396-Q398 VanDerWaalsContact C-N 3.34Å; P396-Q398 PolarHBondContact O-N 2.94Å; P396-R399 WeakPolarHBondContact O-CB 3.32Å; P396-R399 PolarHBondContact O-N 2.63Å
397	M	28	Very low	47.1	Very low	163 Å²	163	84.3 Å²	84.3	80%	0.803	46%	0.459	S	S	*	.	H	α-helix	trans	-73.3	-23.9	-175.7	-147.6	138.8	90.1	0	0	113.1	N395 A400	N395-M397 PolarHBondContact O-N 3.49Å; M397-A400 PolarHBondContact O-N 3.2Å
398	Q	34.2	Very low	47.6	Very low	128 Å²	128	83.5 Å²	83.5	60%	0.598	46%	0.455	S	S	*	.	H	α-helix	trans	-74	-31	171.8	-87.6	175.7	-27.8	0	0	112.4	N395 P396 A400 R401 S402	N395-Q398 PolarHBondContact O-N 3.32Å; P396-Q398 VanDerWaalsContact C-N 3.34Å; P396-Q398 PolarHBondContact O-N 2.94Å; Q398-A400 VanDerWaalsContact C-N 3.26Å; Q398-A400 PolarHBondContact O-N 3.44Å; Q398-R401 PolarHBondContact O-N 3.35Å; Q398-S402 WeakPolarHBondContact O-CB 3.22Å; Q398-S402 PolarHBondContact O-N 3.01Å
399	R	41.3	Very low	48.7	Very low	124 Å²	124	80.3 Å²	80.3	47%	0.468	44%	0.439	S	S	.	.	H	α-helix	trans	-60.2	-34.6	171	-90.2	-175.9	178.2	179.8	-1.6	112.5	P396 R401 G403	P396-R399 WeakPolarHBondContact O-CB 3.32Å; P396-R399 PolarHBondContact O-N 2.63Å; R399-R401 VanDerWaalsContact C-N 3.3Å; R399-R401 PolarHBondContact O-N 3.21Å; R399-G403 WeakPolarHBondContact O-CA 3.42Å; R399-G403 PolarHBondContact O-N 3.01Å
400	A	29.9	Very low	50.4	Low	80 Å²	80	79.6 Å²	79.6	66%	0.661	43%	0.434	S	S	*	.	H	α-helix	trans	-72.8	-17.8	-174.3	0	0	0	0	0	114.4	M397 Q398	M397-A400 PolarHBondContact O-N 3.2Å; Q398-A400 VanDerWaalsContact C-N 3.26Å; Q398-A400 PolarHBondContact O-N 3.44Å
401	R	31.7	Very low	52.2	Low	237 Å²	237	78.3 Å²	78.3	89%	0.894	43%	0.426	S	S	*	.	H	α-helix	trans	-111.8	-29.9	175.4	-73.1	-173.9	175.8	-178.5	-1.7	113.9	Q398 R399	Q398-R401 PolarHBondContact O-N 3.35Å; R399-R401 VanDerWaalsContact C-N 3.3Å; R399-R401 PolarHBondContact O-N 3.21Å
402	S	39.7	Very low	54.4	Low	78 Å²	78	77.9 Å²	77.9	55%	0.545	42%	0.415	S	S	.	.	H	α-helix	trans	-103.9	-12.3	-174	-173	0	0	0	0	114.6	Q398 T404	Q398-S402 WeakPolarHBondContact O-CB 3.22Å; Q398-S402 PolarHBondContact O-N 3.01Å; S402-T404 PolarHBondContact O-N 2.85Å
403	G	40.2	Very low	56.4	Low	46 Å²	46	76.5 Å²	76.5	47%	0.474	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.1	-171.4	0	0	0	0	0	116.1	R399	R399-G403 WeakPolarHBondContact O-CA 3.42Å; R399-G403 PolarHBondContact O-N 3.01Å
404	T	50.5	Low	58.3	Low	50 Å²	50	74.1 Å²	74.1	31%	0.307	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-25.8	-173.8	-40.1	0	0	0	0	112.6	Y98 S402	Y98-T404 HydrophobicContact CE2-CG2 4.12Å; S402-T404 PolarHBondContact O-N 2.85Å
405	F	61.4	Low	60.4	Low	23 Å²	23	72.9 Å²	72.9	10%	0.101	38%	0.379	C	S	.	.			trans	-146.8	124.6	-174.8	-59	-79.6	0	0	0	111.2	L22 P23 I27 F28 I92 K93 F94	L22-F405 HydrophobicContact CD2-CE1 4.06Å; L22-F405 HydrophobicContact CD2-CE2 4.2Å; L22-F405 HydrophobicContact CD2-CZ 3.37Å; P23-F405 HydrophobicContact CG-CD2 4.36Å; P23-F405 HydrophobicContact CG-CE2 4.35Å; I27-F405 HydrophobicContact CD1-CB 3.74Å; I27-F405 HydrophobicContact CD1-CD2 3.72Å; I27-F405 HydrophobicContact CD1-CG 3.87Å; I27-F405 HydrophobicContact CG2-CB 4.46Å; F28-F405 HydrophobicContact CZ-CE1 4.32Å; I92-F405 HydrophobicContact CG2-CD1 3.86Å; K93-F405 WeakPolarHBondContact O-CA 3.38Å; F94-F405 HydrophobicContact CB-CD1 3.83Å; F94-F405 HydrophobicContact CB-CE1 3.61Å; F94-F405 HydrophobicContact CD1-CE1 4.47Å; F94-F405 HydrophobicContact CG-CE1 4.2Å
406	D	74.1	Confident	63	Low	36 Å²	36	70.6 Å²	70.6	19%	0.193	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.9	164.5	-63.5	-25.7	0	0	0	108	I92 K93 R325 Y356	I92-D406 WeakPolarHBondContact CA-O 3.44Å; K93-D406 PolarHBondContact N-O 3.11Å; K93-D406 VanDerWaalsContact N-O 3.12Å; K93-D406 IonicContact NZ-OD2 3.96Å; K93-D406 PolarHBondContact O-N 2.76Å; R325-D406 IonicContact CZ-OD2 2.67Å; R325-D406 IonicContact NE-OD2 2.66Å; R325-D406 IonicContact NH2-OD1 2.73Å; R325-D406 IonicContact NH2-OD2 2.71Å; R325-D406 PolarHBondContact NH2-OD2 3.18Å; Y356-D406 WeakPolarHBondContact OH-CB 3.43Å; Y356-D406 PolarHBondContact OH-O 2.83Å
407	M	83.4	Confident	65.6	Low	17 Å²	17	66.7 Å²	66.7	8%	0.084	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135	-180	-179.2	72.2	81.2	0	0	111.6	I27 H90 F91 I92 Y356 S385 E409	I27-M407 HydrophobicContact CG2-CE 3.84Å; I27-M407 WeakPolarHBondContact O-CE 3.32Å; H90-M407 HydrophobicContact CB-SD 4.13Å; F91-M407 CarbonylContact O-C 3.34Å; F91-M407 WeakPolarHBondContact O-CA 3.43Å; I92-M407 HydrophobicContact CD1-CE 3.64Å; I92-M407 HydrophobicContact CD1-SD 4.32Å; I92-M407 HydrophobicContact CG1-CE 3.47Å; I92-M407 VanDerWaalsContact CG1-CE 3.47Å; I92-M407 HydrophobicContact CG1-SD 3.53Å; I92-M407 VanDerWaalsContact CG1-SD 3.53Å; Y356-M407 PolarHBondContact OH-N 2.68Å; S385-M407 WeakPolarHBondContact CB-O 3.49Å; S385-M407 PolarHBondContact N-O 2.85Å; S385-M407 PolarHBondContact OG-N 2.79Å; S385-M407 PolarHBondContact OG-O 3.11Å; M407-E409 HydrophobicContact CG-CG 3.82Å; M407-E409 HydrophobicContact SD-CG 4.22Å
408	L	87.9	Confident	68.6	Low	1 Å²	1	61 Å²	61	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.8	159.7	163.6	66.3	0	0	0	108.2	H90 F91 I160 H353 Y356 E379 M410	H90-L408 WeakPolarHBondContact CA-O 3.34Å; F91-L408 HydrophobicContact CB-CB 4.2Å; F91-L408 HydrophobicContact CD2-CB 4.21Å; F91-L408 HydrophobicContact CD2-CD2 3.75Å; F91-L408 HydrophobicContact CD2-CG 3.87Å; F91-L408 HydrophobicContact CE2-CD2 4.3Å; F91-L408 HydrophobicContact CG-CD2 4.49Å; F91-L408 PolarHBondContact N-O 3.38Å; F91-L408 PolarHBondContact O-N 2.95Å; I160-L408 HydrophobicContact CD1-CD1 4.5Å; I160-L408 HydrophobicContact CD1-CD2 4.25Å; H353-L408 HydrophobicContact CB-CD2 4.27Å; Y356-L408 HydrophobicContact CE2-CB 4.41Å; E379-L408 HydrophobicContact CG-CD1 4.02Å; L408-M410 HydrophobicContact CD1-CG 3.89Å; L408-M410 HydrophobicContact CD2-CG 4.3Å; L408-M410 HydrophobicContact CD2-SD 4.03Å; L408-M410 HydrophobicContact CG-CG 4.02Å; L408-M410 HydrophobicContact CG-SD 4.41Å
409	E	90.2	Very high	71.4	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.9	171.5	-66.9	-157.6	150.7	0	0	110.2	N30 R88 L89 H90 N380 G383 S384 M407	N30-E409 PolarHBondContact ND2-OE1 3.45Å; R88-E409 IonicContact CZ-OE2 2.65Å; R88-E409 IonicContact NE-OE2 3.62Å; R88-E409 IonicContact NH1-OE2 2.66Å; R88-E409 PolarHBondContact NH1-OE2 2.84Å; L89-E409 CarbonylContact O-C 3.48Å; L89-E409 WeakPolarHBondContact O-CA 3.19Å; H90-E409 IonicContact CE1-OE1 3.22Å; H90-E409 PolarHBondContact CE1-OE1 2.89Å; H90-E409 IonicContact ND1-OE1 3.7Å; H90-E409 PolarHBondContact ND1-OE1 2.83Å; N380-E409 HydrophobicContact CB-CB 3.98Å; N380-E409 PolarHBondContact N-O 2.96Å; G383-E409 WeakPolarHBondContact CA-OE2 3.3Å; S384-E409 PolarHBondContact OG-N 2.85Å; S384-E409 PolarHBondContact OG-O 3.49Å; M407-E409 HydrophobicContact CG-CG 3.82Å; M407-E409 HydrophobicContact SD-CG 4.22Å
410	M	90.2	Very high	74	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.9	175.7	-59.5	-179.5	72	0	0	110.7	R88 L89 F91 F155 N159 I160 W377 G378 L408	R88-M410 WeakPolarHBondContact CA-O 3.38Å; L89-M410 HydrophobicContact CB-CB 4.36Å; L89-M410 PolarHBondContact N-O 3.34Å; L89-M410 PolarHBondContact O-N 3.23Å; F91-M410 HydrophobicContact CE2-SD 4.15Å; F155-M410 HydrophobicContact CE1-CE 3.77Å; F155-M410 HydrophobicContact CE1-SD 3.72Å; F155-M410 HydrophobicContact CZ-CE 4.21Å; F155-M410 HydrophobicContact CZ-SD 4.45Å; N159-M410 HydrophobicContact CB-CE 3.99Å; I160-M410 HydrophobicContact CD1-CE 3.82Å; I160-M410 HydrophobicContact CD1-SD 3.9Å; I160-M410 HydrophobicContact CG1-CE 3.49Å; I160-M410 VanDerWaalsContact CG1-CE 3.49Å; I160-M410 HydrophobicContact CG1-SD 4.26Å; W377-M410 HydrophobicContact CB-CE 3.72Å; W377-M410 HydrophobicContact CE3-CB 4.35Å; G378-M410 CarbonylContact O-C 3.57Å; G378-M410 WeakPolarHBondContact O-CA 3.44Å; L408-M410 HydrophobicContact CD1-CG 3.89Å; L408-M410 HydrophobicContact CD2-CG 4.3Å; L408-M410 HydrophobicContact CD2-SD 4.03Å; L408-M410 HydrophobicContact CG-CG 4.02Å; L408-M410 HydrophobicContact CG-SD 4.41Å
411	D	88.6	Confident	77.2	Confident	26 Å²	26	49 Å²	49	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.3	174.9	-75.4	-45.3	0	0	0	110.2	R88 W377 G378 N380	R88-D411 IonicContact CZ-OD1 3.03Å; R88-D411 IonicContact CZ-OD2 2.89Å; R88-D411 IonicContact NE-OD1 3.57Å; R88-D411 PolarHBondContact NE-OD1 3.39Å; R88-D411 IonicContact NE-OD2 3.23Å; R88-D411 VanDerWaalsContact NH2-CG 3.31Å; R88-D411 IonicContact NH2-OD1 2.88Å; R88-D411 PolarHBondContact NH2-OD1 2.83Å; R88-D411 IonicContact NH2-OD2 2.83Å; R88-D411 PolarHBondContact NH2-OD2 3.27Å; W377-D411 WeakPolarHBondContact CA-O 3.41Å; G378-D411 PolarHBondContact N-O 3.41Å; G378-D411 PolarHBondContact O-N 3.04Å; N380-D411 WeakPolarHBondContact CB-OD2 3.24Å; N380-D411 PolarHBondContact ND2-OD2 2.9Å
412	R	86.4	Confident	80.2	Confident	53 Å²	53	38.7 Å²	38.7	20%	0.2	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	127	168.4	-163.6	-179.1	68.2	-175.6	-2.3	108.2	A87 Y375 W377 D414	A87-R412 HydrophobicContact CB-CB 3.65Å; A87-R412 HydrophobicContact CB-CG 4.37Å; A87-R412 WeakPolarHBondContact O-CB 3.5Å; A87-R412 PolarHBondContact O-N 2.86Å; Y375-R412 HydrophobicContact CD1-CG 4.2Å; Y375-R412 HydrophobicContact CG-CG 3.97Å; W377-R412 HydrophobicContact CD2-CB 4.35Å; W377-R412 HydrophobicContact CD2-CG 4.35Å; W377-R412 HydrophobicContact CE3-CB 3.8Å; W377-R412 HydrophobicContact CE3-CG 4.28Å; W377-R412 HydrophobicContact CH2-CB 3.67Å; W377-R412 HydrophobicContact CH2-CG 3.83Å; W377-R412 HydrophobicContact CZ2-CB 4.23Å; W377-R412 HydrophobicContact CZ2-CG 3.9Å; W377-R412 HydrophobicContact CZ3-CB 3.41Å; W377-R412 VanDerWaalsContact CZ3-CB 3.41Å; W377-R412 HydrophobicContact CZ3-CG 4.01Å; R412-D414 IonicContact NH2-OD1 3.63Å
413	L	82.9	Confident	82.9	Confident	55 Å²	55	35.6 Å²	35.6	29%	0.288	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.6	167.2	-52.2	178.1	0	0	0	107.4	S376 R415 L417	S376-L413 WeakPolarHBondContact O-CB 3.32Å; S376-L413 PolarHBondContact O-N 3.48Å; L413-R415 PolarHBondContact O-N 3.47Å; L413-L417 HydrophobicContact CD1-CD1 3.43Å; L413-L417 VanDerWaalsContact CD1-CD1 3.43Å; L413-L417 HydrophobicContact CD1-CG 4.07Å
414	D	77.8	Confident	85.4	Confident	99 Å²	99	38.1 Å²	38.1	53%	0.529	19%	0.192	S	C	.	.	S	Bend	trans	-68.8	5.9	-179.8	-65.1	-39.4	0	0	0	113.5	R412	R412-D414 IonicContact NH2-OD1 3.63Å
415	R	82.4	Confident	87.2	Confident	80 Å²	80	39.1 Å²	39.1	30%	0.302	20%	0.195	S	C	.	.	S	Bend	trans	-141	151.6	-168.2	-68.2	171.8	172.9	165.6	5.5	110.8	S376 L413 S651 D704	S376-R415 WeakPolarHBondContact CB-O 3.35Å; S376-R415 PolarHBondContact N-O 3.04Å; L413-R415 PolarHBondContact O-N 3.47Å; R415-S651 VanDerWaalsContact NH1-CB 3.33Å; R415-S651 PolarHBondContact NH1-OG 2.79Å; R415-D704 VanDerWaalsContact CD-OD2 3.25Å; R415-D704 WeakPolarHBondContact CD-OD2 3.4Å; R415-D704 IonicContact NE-OD2 3.51Å
416	Q	87.8	Confident	88.5	Confident	65 Å²	65	39.9 Å²	39.9	30%	0.304	20%	0.202	S	C	.	.			trans	-84.9	120.4	169.2	-174.8	166.5	47.5	0	0	108.7	N373 V418 K705	N373-Q416 PolarHBondContact O-NE2 3.19Å; Q416-V418 HydrophobicContact CG-CG1 4.26Å; Q416-K705 HydrophobicContact CB-CB 4.39Å; Q416-K705 HydrophobicContact CB-CD 4.34Å; Q416-K705 HydrophobicContact CG-CD 4.42Å; Q416-K705 WeakPolarHBondContact O-CB 3.48Å; Q416-K705 PolarHBondContact O-N 3.34Å
417	L	89.6	Confident	89	Confident	26 Å²	26	40.8 Å²	40.8	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.8	173.4	-56.6	-172.8	0	0	0	110.8	S376 L413 R702 L703	S376-L417 PolarHBondContact OG-N 2.92Å; L413-L417 HydrophobicContact CD1-CD1 3.43Å; L413-L417 VanDerWaalsContact CD1-CD1 3.43Å; L413-L417 HydrophobicContact CD1-CG 4.07Å; L417-R702 HydrophobicContact CB-CB 4.36Å; L417-R702 HydrophobicContact CD1-CB 4.08Å; L417-L703 CarbonylContact C-O 3.34Å; L417-L703 WeakPolarHBondContact CA-O 3.49Å
418	V	91.4	Very high	89.1	Confident	45 Å²	45	43 Å²	43	27%	0.273	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.5	-177.7	-60.8	0	0	0	0	110.8	Q416 S701 L703 K705 A708	Q416-V418 HydrophobicContact CG-CG1 4.26Å; V418-S701 CarbonylContact C-O 3.57Å; V418-L703 PolarHBondContact N-O 3.43Å; V418-L703 PolarHBondContact O-N 2.98Å; V418-K705 HydrophobicContact CG2-CB 4.41Å; V418-A708 HydrophobicContact CG2-CB 3.43Å; V418-A708 VanDerWaalsContact CG2-CB 3.43Å
419	N	92.8	Very high	89.2	Confident	39 Å²	39	43.6 Å²	43.6	21%	0.209	23%	0.231	C	C	.	.			trans	-63.9	145.7	174.4	-61.7	-33.8	0	0	0	112	P421 L423 S701	N419-P421 WeakPolarHBondContact O-CD 3.26Å; N419-L423 HydrophobicContact CB-CD1 4.48Å; N419-S701 PolarHBondContact N-O 2.82Å; N419-S701 WeakPolarHBondContact OD1-CA 3.45Å; N419-S701 VanDerWaalsContact OD1-CB 3.28Å; N419-S701 WeakPolarHBondContact OD1-CB 3.04Å; N419-S701 PolarHBondContact OD1-O 2.84Å
420	L	95.8	Very high	89.3	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.255	C	S	.	.			trans	-56.9	121.9	163.4	-178.8	69.3	0	0	0	108.5	L422 L423 L617 L700 L703 V711 L736	L420-L422 HydrophobicContact CD2-CB 4.11Å; L420-L422 HydrophobicContact CG-CB 4.13Å; L420-L422 PolarHBondContact O-N 2.8Å; L420-L423 HydrophobicContact CB-CD1 4.25Å; L420-L423 HydrophobicContact CB-CG 4.13Å; L420-L423 PolarHBondContact O-N 2.89Å; L420-L423 VanDerWaalsContact O-N 3.1Å; L420-L617 HydrophobicContact CD1-CD2 3.86Å; L420-L700 HydrophobicContact CB-CB 4.17Å; L420-L700 WeakPolarHBondContact CB-O 3.42Å; L420-L700 HydrophobicContact CD2-CD1 4.13Å; L420-L700 HydrophobicContact CD2-CD2 4.1Å; L420-L700 PolarHBondContact N-O 3.34Å; L420-L703 HydrophobicContact CB-CD1 3.7Å; L420-L703 HydrophobicContact CD1-CD1 3.78Å; L420-L703 HydrophobicContact CG-CD1 4.27Å; L420-V711 HydrophobicContact CD1-CG1 4.4Å; L420-V711 HydrophobicContact CD1-CG2 4.35Å; L420-L736 HydrophobicContact CD2-CD2 3.91Å
421	P	95.7	Very high	89.5	Confident	38 Å²	38	48.4 Å²	48.4	25%	0.247	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.1	-177.9	-25.4	34.9	0	0	0	114.7	N419 A708 V711 R712	N419-P421 WeakPolarHBondContact O-CD 3.26Å; P421-A708 HydrophobicContact CG-CB 4.07Å; P421-A708 WeakPolarHBondContact CG-O 3.32Å; P421-V711 HydrophobicContact CG-CG1 4.42Å; P421-R712 HydrophobicContact CB-CG 3.86Å; P421-R712 HydrophobicContact CG-CG 3.79Å
422	L	96.6	Very high	89.8	Confident	22 Å²	22	48.1 Å²	48.1	12%	0.115	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.7	-177.3	-61.2	169.9	0	0	0	113.2	L420 Q424 V711 T716 V719 L736 S737 C738	L420-L422 HydrophobicContact CD2-CB 4.11Å; L420-L422 HydrophobicContact CG-CB 4.13Å; L420-L422 PolarHBondContact O-N 2.8Å; L422-Q424 PolarHBondContact O-N 3.43Å; L422-V711 HydrophobicContact CD1-CG1 3.57Å; L422-V711 HydrophobicContact CG-CG1 3.81Å; L422-T716 HydrophobicContact CD1-CG2 3.92Å; L422-V719 HydrophobicContact CD1-CG2 3.66Å; L422-L736 CarbonylContact O-C 3.52Å; L422-L736 WeakPolarHBondContact O-CA 3.43Å; L422-S737 WeakPolarHBondContact CA-OG 3.44Å; L422-S737 PolarHBondContact O-N 2.71Å; L422-S737 PolarHBondContact O-OG 2.91Å; L422-C738 HydrophobicContact CD1-CB 4.48Å; L422-C738 HydrophobicContact CD2-CB 4.31Å
423	L	94.8	Very high	90	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.063	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-60.1	127.1	172.2	-80.5	168.9	0	0	0	110.4	N419 L420 P426 Y429 L700 L736	N419-L423 HydrophobicContact CB-CD1 4.48Å; L420-L423 HydrophobicContact CB-CD1 4.25Å; L420-L423 HydrophobicContact CB-CG 4.13Å; L420-L423 PolarHBondContact O-N 2.89Å; L420-L423 VanDerWaalsContact O-N 3.1Å; L423-P426 HydrophobicContact CB-CG 4.12Å; L423-Y429 HydrophobicContact CD1-CD1 4.12Å; L423-Y429 HydrophobicContact CD1-CE1 4.43Å; L423-Y429 HydrophobicContact CD1-CG 4.22Å; L423-Y429 HydrophobicContact CD2-CD1 4.43Å; L423-Y429 HydrophobicContact CD2-CD2 3.55Å; L423-Y429 HydrophobicContact CD2-CE2 3.86Å; L423-Y429 HydrophobicContact CD2-CG 3.85Å; L423-L700 HydrophobicContact CD1-CB 3.97Å; L423-L700 WeakPolarHBondContact CD1-O 3.33Å; L423-L700 HydrophobicContact CD2-CB 4.17Å; L423-L700 HydrophobicContact CD2-CD1 4.27Å; L423-L700 HydrophobicContact CG-CB 4.24Å; L423-L736 HydrophobicContact CD2-CD2 3.94Å; L423-L736 HydrophobicContact CG-CD2 4.37Å
424	Q	92.3	Very high	90.4	Very high	99 Å²	99	45.6 Å²	45.6	46%	0.463	25%	0.247	S	C	.	.	S	Bend	trans	-67.4	-44.1	-175.8	-174.4	176.2	5.1	0	0	112.4	L422 M735	L422-Q424 PolarHBondContact O-N 3.43Å; Q424-M735 HydrophobicContact CB-CB 4.28Å; Q424-M735 WeakPolarHBondContact CB-O 3.32Å; Q424-M735 PolarHBondContact N-O 3.11Å
425	D	89.4	Confident	91	Very high	72 Å²	72	43 Å²	43	39%	0.385	23%	0.234	S	C	.	.			trans	-136.9	96.6	172.6	-177.4	-3.7	0	0	0	109.3	S427 S428 Y429	D425-S427 PolarHBondContact O-N 3.18Å; D425-S427 WeakPolarHBondContact OD1-CB 3.48Å; D425-S427 PolarHBondContact OD1-N 3.26Å; D425-S427 PolarHBondContact OD1-OG 3.25Å; D425-S428 WeakPolarHBondContact CB-OG 3.33Å; D425-S428 PolarHBondContact O-N 2.99Å; D425-S428 PolarHBondContact OD1-N 2.92Å; D425-S428 PolarHBondContact OD2-OG 3.42Å; D425-Y429 WeakPolarHBondContact O-CB 3.2Å; D425-Y429 PolarHBondContact O-N 3.45Å
426	P	88.3	Confident	91.5	Very high	38 Å²	38	39.2 Å²	39.2	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23	177.4	-23.8	34	0	0	0	114.1	P182 L423	P182-P426 HydrophobicContact CG-CB 4.46Å; L423-P426 HydrophobicContact CB-CG 4.12Å
427	S	83.8	Confident	91.6	Very high	55 Å²	55	36.8 Å²	36.8	39%	0.385	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-28	-176.1	73.8	0	0	0	0	113.1	D425	D425-S427 PolarHBondContact O-N 3.18Å; D425-S427 WeakPolarHBondContact OD1-CB 3.48Å; D425-S427 PolarHBondContact OD1-N 3.26Å; D425-S427 PolarHBondContact OD1-OG 3.25Å
428	S	86	Confident	91.5	Very high	64 Å²	64	40.8 Å²	40.8	45%	0.448	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-2.8	176.3	76.8	0	0	0	0	113.3	D425 I430	D425-S428 WeakPolarHBondContact CB-OG 3.33Å; D425-S428 PolarHBondContact O-N 2.99Å; D425-S428 PolarHBondContact OD1-N 2.92Å; D425-S428 PolarHBondContact OD2-OG 3.42Å; S428-I430 PolarHBondContact O-N 3.45Å
429	Y	91.5	Very high	91.4	Very high	14 Å²	14	40.2 Å²	40.2	6%	0.055	22%	0.222	C	C	.	.			trans	-67.9	126.7	-178.4	168.8	-105.3	0	0	0	110.5	L423 D425 P431 D699 L700 N731 A734	L423-Y429 HydrophobicContact CD1-CD1 4.12Å; L423-Y429 HydrophobicContact CD1-CE1 4.43Å; L423-Y429 HydrophobicContact CD1-CG 4.22Å; L423-Y429 HydrophobicContact CD2-CD1 4.43Å; L423-Y429 HydrophobicContact CD2-CD2 3.55Å; L423-Y429 HydrophobicContact CD2-CE2 3.86Å; L423-Y429 HydrophobicContact CD2-CG 3.85Å; D425-Y429 WeakPolarHBondContact O-CB 3.2Å; D425-Y429 PolarHBondContact O-N 3.45Å; Y429-P431 HydrophobicContact CE1-CB 4Å; Y429-P431 HydrophobicContact CE1-CG 4.34Å; Y429-P431 WeakPolarHBondContact OH-CB 3.45Å; Y429-D699 WeakPolarHBondContact CE1-OD1 3.44Å; Y429-L700 HydrophobicContact CE1-CB 4.13Å; Y429-L700 HydrophobicContact CE2-CB 4.38Å; Y429-L700 WeakPolarHBondContact OH-CB 3.34Å; Y429-L700 PolarHBondContact OH-N 2.8Å; Y429-N731 PolarHBondContact OH-OD1 2.93Å; Y429-A734 HydrophobicContact CD2-CB 4.4Å; Y429-A734 HydrophobicContact CE2-CB 3.87Å
430	I	91.8	Very high	91.3	Very high	108 Å²	108	41 Å²	41	55%	0.554	24%	0.235	S	C	*	.			trans	-118.9	116.4	173.5	-63.2	164.5	0	0	0	106.2	T179 S428	T179-I430 HydrophobicContact CG2-CG1 3.98Å; S428-I430 PolarHBondContact O-N 3.45Å
431	P	93.4	Very high	91.1	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.039	27%	0.266	C	S	.	.			trans	-65.4	-45.5	-179.3	20.9	-28.8	0	0	0	111.3	Y429 D699 T730 N731	Y429-P431 HydrophobicContact CE1-CB 4Å; Y429-P431 HydrophobicContact CE1-CG 4.34Å; Y429-P431 WeakPolarHBondContact OH-CB 3.45Å; P431-D699 HydrophobicContact CB-CB 4.26Å; P431-D699 HydrophobicContact CG-CB 4.47Å; P431-T730 HydrophobicContact CB-CG2 4.4Å; P431-T730 CarbonylContact O-C 3.46Å; P431-T730 WeakPolarHBondContact O-CA 3.18Å; P431-T730 WeakPolarHBondContact O-CB 3.49Å; P431-N731 PolarHBondContact O-N 3.35Å
432	D	94.5	Very high	90.9	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-79.1	134.6	-171.3	-57.2	-93.5	0	0	0	113.7	T500 R502	D432-T500 HydrophobicContact CB-CG2 3.74Å; D432-T500 WeakPolarHBondContact OD1-CB 3.4Å; D432-T500 PolarHBondContact OD1-OG1 3.4Å; D432-R502 VanDerWaalsContact OD1-CB 3.28Å; D432-R502 WeakPolarHBondContact OD1-CB 3.24Å; D432-R502 IonicContact OD1-CZ 3.2Å; D432-R502 IonicContact OD1-NE 3.15Å; D432-R502 PolarHBondContact OD1-NE 2.74Å; D432-R502 IonicContact OD1-NH2 2.94Å; D432-R502 IonicContact OD2-CZ 3.77Å; D432-R502 IonicContact OD2-NE 2.62Å; D432-R502 PolarHBondContact OD2-NE 3.47Å; D432-R502 IonicContact OD2-NH2 3.69Å; D432-R502 PolarHBondContact OD2-NH2 3.39Å
433	T	92.1	Very high	90.8	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.172	26%	0.257	C	S	.	.	S	Bend	trans	-79.2	-26.7	-178.8	-60.6	0	0	0	0	113.2	I728 H729 Y732 Y733	T433-I728 WeakPolarHBondContact CB-O 3.48Å; T433-I728 PolarHBondContact OG1-O 3.26Å; T433-H729 PolarHBondContact N-O 2.79Å; T433-H729 PolarHBondContact OG1-O 2.78Å; T433-Y732 HydrophobicContact CG2-CD1 4.45Å; T433-Y732 HydrophobicContact CG2-CG 4.5Å; T433-Y732 WeakPolarHBondContact OG1-CB 3.34Å; T433-Y733 HydrophobicContact CG2-CD2 4.33Å; T433-Y733 HydrophobicContact CG2-CE2 3.79Å
434	V	90	Very high	90.7	Very high	27 Å²	27	50.9 Å²	50.9	16%	0.164	27%	0.274	C	S	.	.			trans	-134.4	122.8	-177.4	-175	0	0	0	0	109.9	L436 A442	V434-L436 HydrophobicContact CG1-CD2 3.92Å; V434-A442 HydrophobicContact CG1-CB 4.3Å
435	D	90.9	Very high	90.8	Very high	45 Å²	45	48.9 Å²	48.9	24%	0.241	26%	0.263	C	S	.	.			trans	-89.2	108.4	169.1	-165.9	-25.1	0	0	0	109.8	T437 E438 D439 S498	D435-T437 PolarHBondContact O-N 3.24Å; D435-T437 WeakPolarHBondContact OD1-CA 3.1Å; D435-T437 WeakPolarHBondContact OD1-CB 3.39Å; D435-T437 PolarHBondContact OD1-N 2.95Å; D435-T437 PolarHBondContact OD1-OG1 2.89Å; D435-E438 HydrophobicContact CB-CG 4.28Å; D435-E438 PolarHBondContact O-N 3.1Å; D435-D439 PolarHBondContact O-N 3.31Å; D435-D439 VanDerWaalsContact O-N 3.12Å; D435-S498 WeakPolarHBondContact OD2-CB 3.29Å; D435-S498 PolarHBondContact OD2-OG 3.45Å
436	L	92.8	Very high	91.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10	178.1	-50.2	178.2	0	0	0	111.7	V434 A442 R443 W446 L499 V501 L504	V434-L436 HydrophobicContact CG1-CD2 3.92Å; L436-A442 HydrophobicContact CD2-CB 3.57Å; L436-R443 HydrophobicContact CB-CB 4.11Å; L436-R443 WeakPolarHBondContact O-CB 3.37Å; L436-R443 WeakPolarHBondContact O-CD 3.18Å; L436-R443 PolarHBondContact O-NH1 3.41Å; L436-W446 HydrophobicContact CD1-CB 4.07Å; L436-W446 HydrophobicContact CD1-CG 4.28Å; L436-W446 HydrophobicContact CD2-CG 4.4Å; L436-L499 WeakPolarHBondContact CA-O 3.49Å; L436-L499 HydrophobicContact CB-CB 4.13Å; L436-L499 HydrophobicContact CB-CD2 4.03Å; L436-L499 HydrophobicContact CB-CG 3.86Å; L436-L499 WeakPolarHBondContact CB-O 3.46Å; L436-L499 HydrophobicContact CD1-CG 4.18Å; L436-L499 PolarHBondContact N-O 3.2Å; L436-V501 HydrophobicContact CD1-CG2 4.25Å; L436-L504 HydrophobicContact CD1-CD1 3.89Å
437	T	89.7	Confident	91.4	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.092	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-43.3	171.1	-39.8	0	0	0	0	110.2	D435 R443 P493 F494 S498 L499	D435-T437 PolarHBondContact O-N 3.24Å; D435-T437 WeakPolarHBondContact OD1-CA 3.1Å; D435-T437 WeakPolarHBondContact OD1-CB 3.39Å; D435-T437 PolarHBondContact OD1-N 2.95Å; D435-T437 PolarHBondContact OD1-OG1 2.89Å; T437-R443 PolarHBondContact O-NH1 2.92Å; T437-P493 HydrophobicContact CG2-CB 4.24Å; T437-P493 HydrophobicContact CG2-CG 4.24Å; T437-F494 HydrophobicContact CG2-CB 4.31Å; T437-S498 WeakPolarHBondContact OG1-CA 3.44Å; T437-L499 PolarHBondContact OG1-N 3.45Å
438	E	87.4	Confident	91.9	Very high	110 Å²	110	43.3 Å²	43.3	51%	0.514	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-29.1	-178.3	-49	-155.6	140	0	0	112	S173 D435	S173-E438 WeakPolarHBondContact CB-OE1 3.44Å; D435-E438 HydrophobicContact CB-CG 4.28Å; D435-E438 PolarHBondContact O-N 3.1Å
439	D	90.3	Very high	92.2	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.171	21%	0.213	C	C	.	.			trans	-102.5	96.4	-179.7	-163	-49.2	0	0	0	113.5	D435 Q441 A442 R443 R754	D435-D439 PolarHBondContact O-N 3.31Å; D435-D439 VanDerWaalsContact O-N 3.12Å; D439-Q441 VanDerWaalsContact C-N 3.34Å; D439-Q441 PolarHBondContact O-N 3.24Å; D439-Q441 PolarHBondContact OD1-N 3.13Å; D439-A442 HydrophobicContact CB-CB 3.76Å; D439-A442 VanDerWaalsContact CG-CB 3.48Å; D439-A442 PolarHBondContact O-N 3.44Å; D439-A442 WeakPolarHBondContact OD1-CB 3.34Å; D439-A442 PolarHBondContact OD1-N 2.93Å; D439-R443 VanDerWaalsContact O-CB 3.26Å; D439-R443 WeakPolarHBondContact O-CB 3.31Å; D439-R443 PolarHBondContact O-N 2.62Å; D439-R754 IonicContact OD1-NH1 3.73Å; D439-R754 IonicContact OD2-CZ 3.59Å; D439-R754 IonicContact OD2-NH1 2.8Å; D439-R754 PolarHBondContact OD2-NH1 3.49Å; D439-R754 IonicContact OD2-NH2 3.46Å; D439-R754 PolarHBondContact OD2-NH2 3.31Å
440	A	90.3	Very high	92.3	Very high	57 Å²	57	41.4 Å²	41.4	47%	0.471	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-34.6	-179.9	0	0	0	0	0	113.9	E444	A440-E444 WeakPolarHBondContact O-CB 3.24Å; A440-E444 PolarHBondContact O-N 3.38Å
441	Q	91.3	Very high	92.4	Very high	141 Å²	141	38.7 Å²	38.7	66%	0.659	20%	0.199	S	C	*	.	H	α-helix	trans	-72.1	-44.3	-179.1	-172.6	-176.5	20.2	0	0	110.6	D439 R443 Y445	D439-Q441 VanDerWaalsContact C-N 3.34Å; D439-Q441 PolarHBondContact O-N 3.24Å; D439-Q441 PolarHBondContact OD1-N 3.13Å; Q441-R443 VanDerWaalsContact C-N 3.33Å; Q441-Y445 WeakPolarHBondContact O-CB 3.26Å; Q441-Y445 PolarHBondContact O-N 2.84Å; Q441-Y445 VanDerWaalsContact O-N 3.11Å
442	A	92.1	Very high	92.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-45.5	173.7	0	0	0	0	0	110.7	V434 L436 D439 E444 Y445 W446 W750	V434-A442 HydrophobicContact CG1-CB 4.3Å; L436-A442 HydrophobicContact CD2-CB 3.57Å; D439-A442 HydrophobicContact CB-CB 3.76Å; D439-A442 VanDerWaalsContact CG-CB 3.48Å; D439-A442 PolarHBondContact O-N 3.44Å; D439-A442 WeakPolarHBondContact OD1-CB 3.34Å; D439-A442 PolarHBondContact OD1-N 2.93Å; A442-E444 PolarHBondContact O-N 2.7Å; A442-Y445 PolarHBondContact O-N 2.86Å; A442-W446 PolarHBondContact O-N 2.96Å; A442-W750 HydrophobicContact CB-CH2 3.29Å; A442-W750 HydrophobicContact CB-CZ2 3.81Å; A442-W750 HydrophobicContact CB-CZ3 4.13Å
443	R	93.8	Very high	92.1	Very high	48 Å²	48	44.6 Å²	44.6	18%	0.181	23%	0.232	C	C	.	.	H	α-helix	trans	-56.5	-51.4	178.6	179	168.9	61	-123	7.9	112.2	L436 T437 D439 Q441 Y445 W446 L447 L499	L436-R443 HydrophobicContact CB-CB 4.11Å; L436-R443 WeakPolarHBondContact O-CB 3.37Å; L436-R443 WeakPolarHBondContact O-CD 3.18Å; L436-R443 PolarHBondContact O-NH1 3.41Å; T437-R443 PolarHBondContact O-NH1 2.92Å; D439-R443 VanDerWaalsContact O-CB 3.26Å; D439-R443 WeakPolarHBondContact O-CB 3.31Å; D439-R443 PolarHBondContact O-N 2.62Å; Q441-R443 VanDerWaalsContact C-N 3.33Å; R443-Y445 VanDerWaalsContact C-N 3.31Å; R443-Y445 PolarHBondContact O-N 3.07Å; R443-W446 PolarHBondContact O-N 2.7Å; R443-L447 HydrophobicContact CG-CD1 3.62Å; R443-L447 HydrophobicContact CG-CG 4.38Å; R443-L447 WeakPolarHBondContact O-CB 3.25Å; R443-L447 VanDerWaalsContact O-CG 3.3Å; R443-L447 WeakPolarHBondContact O-CG 3.48Å; R443-L447 PolarHBondContact O-N 3.36Å; R443-L499 HydrophobicContact CG-CD2 3.87Å
444	E	94.2	Very high	92.2	Very high	90 Å²	90	43.5 Å²	43.5	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-60.4	-43.3	-179.9	-178.8	56.1	-147.7	0	0	111.6	A440 A442 S448 R490	A440-E444 WeakPolarHBondContact O-CB 3.24Å; A440-E444 PolarHBondContact O-N 3.38Å; A442-E444 PolarHBondContact O-N 2.7Å; E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 2.98Å; E444-S448 VanDerWaalsContact O-N 3.14Å; E444-S448 PolarHBondContact O-OG 3.44Å; E444-S448 PolarHBondContact OE1-OG 2.97Å; E444-R490 IonicContact OE1-CZ 3.74Å; E444-R490 IonicContact OE1-NH1 3.89Å; E444-R490 PolarHBondContact OE1-NH1 2.91Å; E444-R490 IonicContact OE1-NH2 3.05Å; E444-R490 IonicContact OE2-CZ 2.99Å; E444-R490 IonicContact OE2-NH1 2.74Å; E444-R490 PolarHBondContact OE2-NH1 3.47Å
445	Y	94.1	Very high	92.3	Very high	58 Å²	58	46.1 Å²	46.1	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-53.2	176.8	174.7	-98.2	0	0	0	112.2	Q441 A442 R443 S448 C449 N748 W750	Q441-Y445 WeakPolarHBondContact O-CB 3.26Å; Q441-Y445 PolarHBondContact O-N 2.84Å; Q441-Y445 VanDerWaalsContact O-N 3.11Å; A442-Y445 PolarHBondContact O-N 2.86Å; R443-Y445 VanDerWaalsContact C-N 3.31Å; R443-Y445 PolarHBondContact O-N 3.07Å; Y445-S448 PolarHBondContact O-N 2.85Å; Y445-C449 VanDerWaalsContact CE1-SG 3.58Å; Y445-C449 PolarHBondContact O-N 3.18Å; Y445-C449 PolarHBondContact O-SG 2.83Å; Y445-N748 WeakPolarHBondContact CE1-ND2 3.26Å; Y445-N748 WeakPolarHBondContact CE1-OD1 3.43Å; Y445-N748 PolarHBondContact OH-ND2 2.9Å; Y445-N748 PolarHBondContact OH-OD1 3.24Å; Y445-W750 HydrophobicContact CD1-CB 3.96Å; Y445-W750 AromaticContact CD1-CD2 3.72Å; Y445-W750 HydrophobicContact CD1-CD2 3.72Å; Y445-W750 AromaticContact CD1-CE3 3.91Å; Y445-W750 HydrophobicContact CD1-CE3 3.91Å; Y445-W750 AromaticContact CD1-CG 3.73Å; Y445-W750 HydrophobicContact CD1-CG 3.73Å; Y445-W750 HydrophobicContact CD2-CB 4Å; Y445-W750 AromaticContact CD2-CD1 3.78Å; Y445-W750 AromaticContact CD2-CG 3.83Å; Y445-W750 HydrophobicContact CD2-CG 3.83Å; Y445-W750 HydrophobicContact CE1-CB 3.49Å; Y445-W750 VanDerWaalsContact CE1-CB 3.49Å; Y445-W750 HydrophobicContact CE1-CD2 4.1Å; Y445-W750 HydrophobicContact CE1-CE3 4.19Å; Y445-W750 AromaticContact CE1-CG 3.81Å; Y445-W750 HydrophobicContact CE1-CG 3.81Å; Y445-W750 HydrophobicContact CE2-CB 3.54Å; Y445-W750 AromaticContact CE2-CG 3.91Å; Y445-W750 HydrophobicContact CE2-CG 3.91Å; Y445-W750 HydrophobicContact CG-CB 4.19Å; Y445-W750 AromaticContact CG-CD1 3.88Å; Y445-W750 AromaticContact CG-CD2 3.96Å; Y445-W750 HydrophobicContact CG-CD2 3.96Å; Y445-W750 AromaticContact CG-CG 3.74Å; Y445-W750 HydrophobicContact CG-CG 3.74Å; Y445-W750 AromaticContact CZ-CG 3.9Å
446	W	94.7	Very high	92.3	Very high	16 Å²	16	44.7 Å²	44.7	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-46.9	-176.3	-78	110.7	0	0	0	111.6	L436 A442 R443 S448 C449 F450 V501 L504 H729 N748 W750 L751	L436-W446 HydrophobicContact CD1-CB 4.07Å; L436-W446 HydrophobicContact CD1-CG 4.28Å; L436-W446 HydrophobicContact CD2-CG 4.4Å; A442-W446 PolarHBondContact O-N 2.96Å; R443-W446 PolarHBondContact O-N 2.7Å; W446-S448 VanDerWaalsContact C-N 3.27Å; W446-S448 PolarHBondContact O-N 2.96Å; W446-C449 WeakPolarHBondContact O-CB 3.18Å; W446-C449 PolarHBondContact O-N 2.84Å; W446-F450 HydrophobicContact CE3-CE2 4.03Å; W446-F450 WeakPolarHBondContact O-CD2 3.3Å; W446-F450 PolarHBondContact O-N 3.04Å; W446-V501 HydrophobicContact CD2-CG2 3.73Å; W446-V501 HydrophobicContact CE3-CG1 4.46Å; W446-V501 HydrophobicContact CE3-CG2 4.23Å; W446-V501 HydrophobicContact CG-CG2 4Å; W446-V501 HydrophobicContact CZ2-CG2 4.18Å; W446-V501 HydrophobicContact CZ3-CG1 4.43Å; W446-L504 HydrophobicContact CB-CD1 4.25Å; W446-H729 AromaticContact CH2-CE1 3.41Å; W446-H729 VanDerWaalsContact CH2-CE1 3.41Å; W446-H729 WeakPolarHBondContact CH2-CE1 3.34Å; W446-H729 AromaticContact CH2-NE2 3.82Å; W446-H729 AromaticContact CZ2-CE1 3.49Å; W446-H729 VanDerWaalsContact CZ2-CE1 3.49Å; W446-H729 WeakPolarHBondContact CZ2-CE1 3.15Å; W446-N748 HydrophobicContact CH2-CB 4.14Å; W446-W750 AromaticContact NE1-CZ3 3.83Å; W446-L751 HydrophobicContact CZ2-CB 4.45Å
447	L	95.3	Very high	92.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-43.8	177	-73.2	169.1	0	0	0	111.6	R443 C449 F450 E451 L486 L489 R490 L504	R443-L447 HydrophobicContact CG-CD1 3.62Å; R443-L447 HydrophobicContact CG-CG 4.38Å; R443-L447 WeakPolarHBondContact O-CB 3.25Å; R443-L447 VanDerWaalsContact O-CG 3.3Å; R443-L447 WeakPolarHBondContact O-CG 3.48Å; R443-L447 PolarHBondContact O-N 3.36Å; L447-C449 PolarHBondContact O-N 3.07Å; L447-F450 PolarHBondContact O-N 3.08Å; L447-E451 WeakPolarHBondContact O-CG 3.46Å; L447-E451 PolarHBondContact O-N 3.43Å; L447-L486 HydrophobicContact CD2-CD2 4.43Å; L447-L486 HydrophobicContact CD2-CG 4.26Å; L447-L489 HydrophobicContact CD2-CB 4.22Å; L447-R490 HydrophobicContact CD1-CB 3.78Å; L447-R490 HydrophobicContact CD1-CG 4.07Å; L447-L504 HydrophobicContact CD2-CD2 3.84Å
448	S	94.8	Very high	92.5	Very high	31 Å²	31	45 Å²	45	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-40.4	176.4	-57	0	0	0	0	112.1	E444 Y445 W446 F450 E451 E452 R490	E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 2.98Å; E444-S448 VanDerWaalsContact O-N 3.14Å; E444-S448 PolarHBondContact O-OG 3.44Å; E444-S448 PolarHBondContact OE1-OG 2.97Å; Y445-S448 PolarHBondContact O-N 2.85Å; W446-S448 VanDerWaalsContact C-N 3.27Å; W446-S448 PolarHBondContact O-N 2.96Å; S448-F450 PolarHBondContact O-N 3.37Å; S448-E451 PolarHBondContact O-N 2.92Å; S448-E452 WeakPolarHBondContact O-CB 3.49Å; S448-E452 VanDerWaalsContact O-CG 3.3Å; S448-E452 WeakPolarHBondContact O-CG 3.33Å; S448-E452 PolarHBondContact O-N 2.72Å; S448-R490 PolarHBondContact OG-NH2 2.73Å
449	C	92.3	Very high	92.7	Very high	21 Å²	21	46.7 Å²	46.7	14%	0.142	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-42.7	174.5	-68.3	0	0	0	0	112.5	Y445 W446 L447 A453	Y445-C449 VanDerWaalsContact CE1-SG 3.58Å; Y445-C449 PolarHBondContact O-N 3.18Å; Y445-C449 PolarHBondContact O-SG 2.83Å; W446-C449 WeakPolarHBondContact O-CB 3.18Å; W446-C449 PolarHBondContact O-N 2.84Å; L447-C449 PolarHBondContact O-N 3.07Å; C449-A453 VanDerWaalsContact O-CB 3.29Å; C449-A453 WeakPolarHBondContact O-CB 3.28Å; C449-A453 PolarHBondContact O-N 3.23Å
450	F	93.6	Very high	92.8	Very high	18 Å²	18	46.5 Å²	46.5	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-36.2	178.2	-81.2	-82.4	0	0	0	112.7	W446 L447 S448 L454 Y482 L486 V501 L504 L505	W446-F450 HydrophobicContact CE3-CE2 4.03Å; W446-F450 WeakPolarHBondContact O-CD2 3.3Å; W446-F450 PolarHBondContact O-N 3.04Å; L447-F450 PolarHBondContact O-N 3.08Å; S448-F450 PolarHBondContact O-N 3.37Å; F450-L454 PolarHBondContact O-N 2.8Å; F450-Y482 WeakPolarHBondContact CD1-OH 3.17Å; F450-L486 HydrophobicContact CB-CD1 4.15Å; F450-V501 HydrophobicContact CZ-CG1 4.41Å; F450-L504 HydrophobicContact CD2-CB 4.1Å; F450-L504 HydrophobicContact CD2-CD1 3.74Å; F450-L504 HydrophobicContact CD2-CG 4.45Å; F450-L504 HydrophobicContact CE1-CB 4.23Å; F450-L504 HydrophobicContact CE2-CB 3.76Å; F450-L504 HydrophobicContact CE2-CD1 3.7Å; F450-L504 HydrophobicContact CE2-CG 4.36Å; F450-L504 HydrophobicContact CZ-CB 3.83Å; F450-L505 HydrophobicContact CE1-CD2 3.58Å; F450-L505 HydrophobicContact CE1-CG 3.98Å; F450-L505 HydrophobicContact CZ-CD2 3.75Å; F450-L505 HydrophobicContact CZ-CG 3.77Å
451	E	94.1	Very high	92.9	Very high	50 Å²	50	43.8 Å²	43.8	23%	0.234	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-46.1	173.6	-74.2	173.7	-157.8	0	0	111.3	L447 S448 L454 L483 L486 Q487 R490	L447-E451 WeakPolarHBondContact O-CG 3.46Å; L447-E451 PolarHBondContact O-N 3.43Å; S448-E451 PolarHBondContact O-N 2.92Å; E451-L454 VanDerWaalsContact O-CB 3.24Å; E451-L454 WeakPolarHBondContact O-CB 3.3Å; E451-L454 PolarHBondContact O-N 2.77Å; E451-L483 HydrophobicContact CG-CD1 4.07Å; E451-L486 HydrophobicContact CG-CB 4.36Å; E451-L486 HydrophobicContact CG-CD1 3.81Å; E451-L486 HydrophobicContact CG-CG 4.29Å; E451-Q487 PolarHBondContact OE1-NE2 2.94Å; E451-R490 VanDerWaalsContact CD-NH2 3.31Å; E451-R490 IonicContact OE1-CZ 3.27Å; E451-R490 IonicContact OE1-NE 3.38Å; E451-R490 PolarHBondContact OE1-NE 2.87Å; E451-R490 IonicContact OE1-NH2 2.67Å; E451-R490 PolarHBondContact OE1-NH2 2.96Å; E451-R490 IonicContact OE2-NH2 2.69Å; E451-R490 PolarHBondContact OE2-NH2 3.33Å
452	E	91.4	Very high	93	Very high	114 Å²	114	39.4 Å²	39.4	53%	0.533	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-37.2	178.4	-71.5	175.6	-173.1	0	0	112.8	S448 L454 K570	S448-E452 WeakPolarHBondContact O-CB 3.49Å; S448-E452 VanDerWaalsContact O-CG 3.3Å; S448-E452 WeakPolarHBondContact O-CG 3.33Å; S448-E452 PolarHBondContact O-N 2.72Å; E452-L454 PolarHBondContact O-N 2.8Å; E452-K570 IonicContact OE2-NZ 3.46Å; E452-K570 PolarHBondContact OE2-NZ 3.5Å
453	A	90.1	Very high	93	Very high	36 Å²	36	42.2 Å²	42.2	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-73.5	-13.5	179.7	0	0	0	0	0	113.7	C449 D455 G456 V457	C449-A453 VanDerWaalsContact O-CB 3.29Å; C449-A453 WeakPolarHBondContact O-CB 3.28Å; C449-A453 PolarHBondContact O-N 3.23Å; A453-D455 VanDerWaalsContact C-N 3.29Å; A453-D455 PolarHBondContact O-N 2.81Å; A453-G456 PolarHBondContact O-N 3.34Å; A453-G456 VanDerWaalsContact O-N 3.09Å; A453-V457 PolarHBondContact O-N 3.08Å
454	L	93.1	Very high	92.8	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-38.7	-172.7	-175.8	50.5	0	0	0	112.9	F450 E451 E452 G456 V457 V458 F478 R479 Y482 L483	F450-L454 PolarHBondContact O-N 2.8Å; E451-L454 VanDerWaalsContact O-CB 3.24Å; E451-L454 WeakPolarHBondContact O-CB 3.3Å; E451-L454 PolarHBondContact O-N 2.77Å; E452-L454 PolarHBondContact O-N 2.8Å; L454-G456 VanDerWaalsContact C-N 3.31Å; L454-G456 PolarHBondContact O-N 3.13Å; L454-V457 PolarHBondContact O-N 3.15Å; L454-V458 HydrophobicContact CD1-CG2 4.23Å; L454-V458 HydrophobicContact CG-CG2 4.48Å; L454-V458 WeakPolarHBondContact O-CG2 3.38Å; L454-V458 PolarHBondContact O-N 3.13Å; L454-F478 HydrophobicContact CD1-CE1 3.66Å; L454-F478 HydrophobicContact CD1-CZ 3.86Å; L454-R479 HydrophobicContact CD2-CG 3.75Å; L454-R479 HydrophobicContact CG-CG 4.15Å; L454-Y482 HydrophobicContact CD1-CD1 3.71Å; L454-Y482 HydrophobicContact CD1-CE1 4.39Å; L454-Y482 HydrophobicContact CD2-CD1 4.4Å; L454-L483 HydrophobicContact CD2-CB 4.18Å
455	D	92.1	Very high	92.6	Very high	81 Å²	81	37.2 Å²	37.2	43%	0.433	20%	0.203	S	C	.	.	H	α-helix	trans	-59.4	-41.7	177.3	-79.1	-13	0	0	0	112.6	A453 V458 K459 R479	A453-D455 VanDerWaalsContact C-N 3.29Å; A453-D455 PolarHBondContact O-N 2.81Å; D455-V458 PolarHBondContact O-N 3.47Å; D455-K459 VanDerWaalsContact O-CG 3.31Å; D455-K459 WeakPolarHBondContact O-CG 3.34Å; D455-K459 PolarHBondContact O-N 2.91Å; D455-R479 IonicContact OD1-CZ 3.48Å; D455-R479 IonicContact OD1-NH1 3.76Å; D455-R479 PolarHBondContact OD1-NH1 3.05Å; D455-R479 IonicContact OD1-NH2 3.31Å; D455-R479 PolarHBondContact OD1-NH2 3.33Å
456	G	90.6	Very high	92.1	Very high	16 Å²	16	38.1 Å²	38.1	17%	0.165	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-42.1	177.6	0	0	0	0	0	111.7	A453 L454 K459 R460	A453-G456 PolarHBondContact O-N 3.34Å; A453-G456 VanDerWaalsContact O-N 3.09Å; L454-G456 VanDerWaalsContact C-N 3.31Å; L454-G456 PolarHBondContact O-N 3.13Å; G456-K459 PolarHBondContact O-N 3.39Å; G456-R460 WeakPolarHBondContact O-CG 3.29Å; G456-R460 PolarHBondContact O-N 3.49Å; G456-R460 PolarHBondContact O-NE 2.86Å
457	V	92.1	Very high	91.8	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-44.9	177.6	-178.9	0	0	0	0	111.1	A453 L454 K459 R460 A461 F478 L512	A453-V457 PolarHBondContact O-N 3.08Å; L454-V457 PolarHBondContact O-N 3.15Å; V457-K459 PolarHBondContact O-N 2.87Å; V457-R460 PolarHBondContact O-N 3.12Å; V457-A461 WeakPolarHBondContact O-CB 3.41Å; V457-A461 PolarHBondContact O-N 3.42Å; V457-F478 HydrophobicContact CB-CE1 4.48Å; V457-F478 HydrophobicContact CG1-CE1 3.86Å; V457-F478 HydrophobicContact CG1-CZ 3.83Å; V457-L512 HydrophobicContact CG1-CD1 4.15Å; V457-L512 HydrophobicContact CG1-CD2 4.17Å
458	V	94.5	Very high	91.4	Very high	16 Å²	16	47.1 Å²	47.1	10%	0.097	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-45.7	176.6	169.3	0	0	0	0	111.1	L454 D455 R460 A461 V462 A475 F478 R479	L454-V458 HydrophobicContact CD1-CG2 4.23Å; L454-V458 HydrophobicContact CG-CG2 4.48Å; L454-V458 WeakPolarHBondContact O-CG2 3.38Å; L454-V458 PolarHBondContact O-N 3.13Å; D455-V458 PolarHBondContact O-N 3.47Å; V458-R460 VanDerWaalsContact C-N 3.34Å; V458-R460 PolarHBondContact O-N 3.22Å; V458-A461 PolarHBondContact O-N 3.04Å; V458-V462 WeakPolarHBondContact O-CG2 3.33Å; V458-V462 PolarHBondContact O-N 2.95Å; V458-A475 HydrophobicContact CG1-CB 4.03Å; V458-F478 HydrophobicContact CG2-CD1 3.92Å; V458-F478 HydrophobicContact CG2-CE1 3.88Å; V458-R479 HydrophobicContact CG2-CB 3.97Å
459	K	93	Very high	90.8	Very high	147 Å²	147	50.9 Å²	50.9	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-59.1	-44.4	176.8	-74.6	172.2	-177.1	174.7	0	111.9	D455 G456 V457 V462 A463	D455-K459 VanDerWaalsContact O-CG 3.31Å; D455-K459 WeakPolarHBondContact O-CG 3.34Å; D455-K459 PolarHBondContact O-N 2.91Å; G456-K459 PolarHBondContact O-N 3.39Å; V457-K459 PolarHBondContact O-N 2.87Å; K459-V462 PolarHBondContact O-N 3.36Å; K459-A463 WeakPolarHBondContact O-CB 3.4Å; K459-A463 PolarHBondContact O-N 3.34Å
460	R	92.1	Very high	90.8	Very high	27 Å²	27	55.1 Å²	55.1	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-43.2	177.7	-74.5	-177	-87.2	-93.1	5.1	112.2	G456 V457 V458 V462 A463 S464 P520 Y521 I524 S573 E577	G456-R460 WeakPolarHBondContact O-CG 3.29Å; G456-R460 PolarHBondContact O-N 3.49Å; G456-R460 PolarHBondContact O-NE 2.86Å; V457-R460 PolarHBondContact O-N 3.12Å; V458-R460 VanDerWaalsContact C-N 3.34Å; V458-R460 PolarHBondContact O-N 3.22Å; R460-V462 VanDerWaalsContact C-N 3.34Å; R460-V462 PolarHBondContact O-N 3.34Å; R460-A463 PolarHBondContact O-N 3.25Å; R460-S464 PolarHBondContact O-N 3.44Å; R460-P520 HydrophobicContact CB-CB 4.28Å; R460-Y521 PolarHBondContact NE-OH 2.98Å; R460-Y521 VanDerWaalsContact NE-OH 3.12Å; R460-I524 HydrophobicContact CG-CD1 4.48Å; R460-S573 PolarHBondContact NH1-OG 3.21Å; R460-E577 IonicContact NH1-OE1 3.51Å; R460-E577 PolarHBondContact NH1-OE1 3.27Å
461	A	92.6	Very high	90.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.1	-47.7	175.3	0	0	0	0	0	111.4	V457 V458 S464 L512 F517	V457-A461 WeakPolarHBondContact O-CB 3.41Å; V457-A461 PolarHBondContact O-N 3.42Å; V458-A461 PolarHBondContact O-N 3.04Å; A461-S464 PolarHBondContact O-N 3.26Å; A461-S464 PolarHBondContact O-OG 2.69Å; A461-L512 HydrophobicContact CB-CD2 4.25Å; A461-F517 HydrophobicContact CB-CB 4.47Å; A461-F517 HydrophobicContact CB-CD1 3.79Å; A461-F517 HydrophobicContact CB-CD2 4.13Å; A461-F517 HydrophobicContact CB-CE1 3.97Å; A461-F517 HydrophobicContact CB-CE2 4.29Å; A461-F517 HydrophobicContact CB-CG 3.87Å; A461-F517 HydrophobicContact CB-CZ 4.21Å; A461-F517 WeakPolarHBondContact O-CD1 3.18Å; A461-F517 WeakPolarHBondContact O-CE1 3.41Å
462	V	93.4	Very high	90.7	Very high	50 Å²	50	54.8 Å²	54.8	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-45.8	175.7	177	0	0	0	0	111.7	V458 K459 R460 S464 Q465 A475	V458-V462 WeakPolarHBondContact O-CG2 3.33Å; V458-V462 PolarHBondContact O-N 2.95Å; K459-V462 PolarHBondContact O-N 3.36Å; R460-V462 VanDerWaalsContact C-N 3.34Å; R460-V462 PolarHBondContact O-N 3.34Å; V462-S464 PolarHBondContact O-N 3.38Å; V462-Q465 CarbonylContact O-C 3.54Å; V462-Q465 PolarHBondContact O-N 3.27Å; V462-Q465 VanDerWaalsContact O-N 3.11Å; V462-A475 HydrophobicContact CG2-CB 3.55Å
463	A	90.8	Very high	90.7	Very high	59 Å²	59	54.5 Å²	54.5	49%	0.488	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-25.2	-179.1	0	0	0	0	0	113.8	K459 R460 Q465 K523	K459-A463 WeakPolarHBondContact O-CB 3.4Å; K459-A463 PolarHBondContact O-N 3.34Å; R460-A463 PolarHBondContact O-N 3.25Å; A463-Q465 PolarHBondContact O-N 3.09Å; A463-K523 PolarHBondContact O-NZ 3.39Å
464	S	89.8	Confident	90.9	Very high	18 Å²	18	54.5 Å²	54.5	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-27.3	175.4	77.1	0	0	0	0	112.6	R460 A461 V462	R460-S464 PolarHBondContact O-N 3.44Å; A461-S464 PolarHBondContact O-N 3.26Å; A461-S464 PolarHBondContact O-OG 2.69Å; V462-S464 PolarHBondContact O-N 3.38Å
465	Q	89.6	Confident	91	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.065	31%	0.305	C	S	.	.			trans	-131.9	62.4	-174.5	-65.4	176.4	19.3	0	0	111.9	V462 A463 D467 I468 A471 N516	V462-Q465 CarbonylContact O-C 3.54Å; V462-Q465 PolarHBondContact O-N 3.27Å; V462-Q465 VanDerWaalsContact O-N 3.11Å; A463-Q465 PolarHBondContact O-N 3.09Å; Q465-D467 PolarHBondContact O-N 3.07Å; Q465-I468 HydrophobicContact CB-CB 4.36Å; Q465-I468 HydrophobicContact CB-CD1 4.11Å; Q465-I468 HydrophobicContact CB-CG1 4.34Å; Q465-I468 HydrophobicContact CG-CD1 4.3Å; Q465-I468 PolarHBondContact O-N 3.41Å; Q465-A471 HydrophobicContact CB-CB 4.27Å; Q465-N516 PolarHBondContact NE2-O 3.25Å
466	P	85.3	Confident	91.1	Very high	78 Å²	78	54.1 Å²	54.1	51%	0.506	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.1	-172	31.2	-37.3	0	0	0	113	I468 K523	P466-I468 VanDerWaalsContact C-N 3.29Å; P466-K523 VanDerWaalsContact CG-NZ 3.25Å
467	D	87.1	Confident	91.2	Very high	151 Å²	151	58 Å²	58	81%	0.807	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.4	-177.1	-51.6	-56.7	0	0	0	112.7	Q465 P469	Q465-D467 PolarHBondContact O-N 3.07Å; D467-P469 WeakPolarHBondContact O-CD 3.33Å
468	I	86.4	Confident	91.3	Very high	53 Å²	53	57.8 Å²	57.8	27%	0.272	31%	0.313	S	S	.	.			trans	-108.1	105.7	-179.5	-58.4	-177.2	0	0	0	109.1	Q465 P466 E470 A471	Q465-I468 HydrophobicContact CB-CB 4.36Å; Q465-I468 HydrophobicContact CB-CD1 4.11Å; Q465-I468 HydrophobicContact CB-CG1 4.34Å; Q465-I468 HydrophobicContact CG-CD1 4.3Å; Q465-I468 PolarHBondContact O-N 3.41Å; P466-I468 VanDerWaalsContact C-N 3.29Å; I468-E470 WeakPolarHBondContact CG2-OE2 3.45Å; I468-E470 PolarHBondContact O-N 3.37Å; I468-A471 HydrophobicContact CB-CB 4.35Å; I468-A471 WeakPolarHBondContact O-CB 3.45Å; I468-A471 PolarHBondContact O-N 3Å
469	P	84.1	Confident	91.4	Very high	111 Å²	111	59.7 Å²	59.7	72%	0.721	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.9	-177.7	-26	35.3	0	0	0	113.9	D467 A471	D467-P469 WeakPolarHBondContact O-CD 3.33Å; P469-A471 PolarHBondContact O-N 3.45Å
470	E	91.3	Very high	91.4	Very high	109 Å²	109	58.4 Å²	58.4	51%	0.509	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3	-179.1	-53.7	81	-176.7	0	0	113.3	I468 A472 E473 R474	I468-E470 WeakPolarHBondContact CG2-OE2 3.45Å; I468-E470 PolarHBondContact O-N 3.37Å; E470-A472 VanDerWaalsContact C-N 3.31Å; E470-A472 PolarHBondContact O-N 2.87Å; E470-E473 PolarHBondContact O-N 3.47Å; E470-R474 PolarHBondContact O-N 3.43Å
471	A	91.5	Very high	91.3	Very high	2 Å²	2	59.7 Å²	59.7	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-40.6	179.2	0	0	0	0	0	111.7	Q465 I468 P469 E473 R474 A475 F517	Q465-A471 HydrophobicContact CB-CB 4.27Å; I468-A471 HydrophobicContact CB-CB 4.35Å; I468-A471 WeakPolarHBondContact O-CB 3.45Å; I468-A471 PolarHBondContact O-N 3Å; P469-A471 PolarHBondContact O-N 3.45Å; A471-E473 PolarHBondContact O-N 2.95Å; A471-R474 PolarHBondContact O-N 2.88Å; A471-A475 VanDerWaalsContact O-CB 3.3Å; A471-A475 WeakPolarHBondContact O-CB 3.46Å; A471-A475 PolarHBondContact O-N 2.92Å; A471-F517 HydrophobicContact CB-CE1 4.33Å; A471-F517 HydrophobicContact CB-CZ 4.43Å; A471-F517 WeakPolarHBondContact O-CZ 3.2Å
472	A	93	Very high	91.4	Very high	60 Å²	60	59.8 Å²	59.8	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-43.1	178.5	0	0	0	0	0	112.4	E470 A475 E476	E470-A472 VanDerWaalsContact C-N 3.31Å; E470-A472 PolarHBondContact O-N 2.87Å; A472-A475 PolarHBondContact O-N 2.98Å; A472-E476 PolarHBondContact O-N 3.42Å; A472-E476 VanDerWaalsContact O-N 3.13Å
473	E	93.2	Very high	91.4	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-44.2	178.4	-169	-164.4	142	0	0	111.7	E470 A471 A475 E476 K477	E470-E473 PolarHBondContact O-N 3.47Å; A471-E473 PolarHBondContact O-N 2.95Å; E473-A475 VanDerWaalsContact C-N 3.32Å; E473-A475 PolarHBondContact O-N 2.63Å; E473-E476 PolarHBondContact O-N 3.46Å; E473-K477 PolarHBondContact O-N 3.26Å; E473-K477 WeakPolarHBondContact OE1-CE 3.43Å; E473-K477 IonicContact OE1-NZ 2.72Å; E473-K477 PolarHBondContact OE1-NZ 2.87Å
474	R	93.6	Very high	91.3	Very high	35 Å²	35	63.6 Å²	63.6	13%	0.132	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-38.5	176.2	-73.8	-171.9	-64.4	130.9	-2.5	112.2	E470 A471 E476 K477 F478 F515 N516 F517	E470-R474 PolarHBondContact O-N 3.43Å; A471-R474 PolarHBondContact O-N 2.88Å; R474-E476 VanDerWaalsContact C-N 3.3Å; R474-E476 PolarHBondContact O-N 2.98Å; R474-K477 PolarHBondContact O-N 3.21Å; R474-F478 PolarHBondContact O-N 3.47Å; R474-F515 HydrophobicContact CB-CB 4.46Å; R474-F515 WeakPolarHBondContact CD-O 2.98Å; R474-F515 PolarHBondContact NH1-O 3.19Å; R474-N516 PolarHBondContact NH1-O 3.43Å; R474-F517 HydrophobicContact CB-CE2 3.82Å; R474-F517 HydrophobicContact CB-CZ 4.02Å
475	A	94.6	Very high	91.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-33.7	178.3	0	0	0	0	0	111.9	V458 V462 A471 A472 E473 F478 R479 F517	V458-A475 HydrophobicContact CG1-CB 4.03Å; V462-A475 HydrophobicContact CG2-CB 3.55Å; A471-A475 VanDerWaalsContact O-CB 3.3Å; A471-A475 WeakPolarHBondContact O-CB 3.46Å; A471-A475 PolarHBondContact O-N 2.92Å; A472-A475 PolarHBondContact O-N 2.98Å; E473-A475 VanDerWaalsContact C-N 3.32Å; E473-A475 PolarHBondContact O-N 2.63Å; A475-F478 WeakPolarHBondContact O-CB 3.42Å; A475-F478 PolarHBondContact O-N 2.95Å; A475-R479 PolarHBondContact O-N 3.13Å; A475-F517 HydrophobicContact CB-CE2 4.08Å; A475-F517 HydrophobicContact CB-CZ 3.95Å
476	E	94.7	Very high	91.5	Very high	79 Å²	79	62.9 Å²	62.9	37%	0.369	32%	0.322	S	S	.	.	H	α-helix	trans	-71	-38.8	173.6	-175.2	53.1	-150.1	0	0	112.3	A472 E473 R474 F478 R479 Q480	A472-E476 PolarHBondContact O-N 3.42Å; A472-E476 VanDerWaalsContact O-N 3.13Å; E473-E476 PolarHBondContact O-N 3.46Å; R474-E476 VanDerWaalsContact C-N 3.3Å; R474-E476 PolarHBondContact O-N 2.98Å; E476-F478 VanDerWaalsContact C-N 3.33Å; E476-F478 PolarHBondContact O-N 2.79Å; E476-R479 WeakPolarHBondContact O-CB 3.43Å; E476-R479 PolarHBondContact O-N 3.25Å; E476-R479 VanDerWaalsContact OE2-CD 3.31Å; E476-R479 WeakPolarHBondContact OE2-CD 3.34Å; E476-R479 IonicContact OE2-NE 3.68Å; E476-R479 PolarHBondContact OE2-NE 3.43Å; E476-Q480 WeakPolarHBondContact O-CG 3.24Å; E476-Q480 PolarHBondContact O-N 2.85Å; E476-Q480 PolarHBondContact OE1-NE2 3.23Å
477	K	92.8	Very high	91.7	Very high	97 Å²	97	62.3 Å²	62.3	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-41.4	171.7	-70.7	171.5	168.4	164.9	0	111.8	E473 R474 Q480 K481 F515	E473-K477 PolarHBondContact O-N 3.26Å; E473-K477 WeakPolarHBondContact OE1-CE 3.43Å; E473-K477 IonicContact OE1-NZ 2.72Å; E473-K477 PolarHBondContact OE1-NZ 2.87Å; R474-K477 PolarHBondContact O-N 3.21Å; K477-Q480 PolarHBondContact O-N 3.3Å; K477-K481 WeakPolarHBondContact O-CB 3.29Å; K477-K481 PolarHBondContact O-N 2.95Å; K477-F515 HydrophobicContact CB-CD1 3.8Å; K477-F515 HydrophobicContact CB-CE1 3.42Å; K477-F515 VanDerWaalsContact CB-CE1 3.42Å; K477-F515 HydrophobicContact CB-CZ 3.87Å; K477-F515 HydrophobicContact CD-CE1 4.39Å; K477-F515 HydrophobicContact CG-CE1 4.45Å
478	F	94.4	Very high	91.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.4	-51.3	170.5	156.2	-104.7	0	0	0	111.8	L454 V457 V458 R474 A475 E476 Q480 K481 Y482 R508 C511 L512 F515	L454-F478 HydrophobicContact CD1-CE1 3.66Å; L454-F478 HydrophobicContact CD1-CZ 3.86Å; V457-F478 HydrophobicContact CB-CE1 4.48Å; V457-F478 HydrophobicContact CG1-CE1 3.86Å; V457-F478 HydrophobicContact CG1-CZ 3.83Å; V458-F478 HydrophobicContact CG2-CD1 3.92Å; V458-F478 HydrophobicContact CG2-CE1 3.88Å; R474-F478 PolarHBondContact O-N 3.47Å; A475-F478 WeakPolarHBondContact O-CB 3.42Å; A475-F478 PolarHBondContact O-N 2.95Å; E476-F478 VanDerWaalsContact C-N 3.33Å; E476-F478 PolarHBondContact O-N 2.79Å; F478-Q480 VanDerWaalsContact C-N 3.33Å; F478-Q480 PolarHBondContact O-N 2.81Å; F478-K481 PolarHBondContact O-N 3Å; F478-Y482 HydrophobicContact CE2-CG 4.23Å; F478-Y482 HydrophobicContact CZ-CD1 4.42Å; F478-Y482 HydrophobicContact CZ-CG 4.45Å; F478-Y482 WeakPolarHBondContact O-CB 3.45Å; F478-Y482 PolarHBondContact O-N 2.9Å; F478-R508 HydrophobicContact CE2-CG 4.4Å; F478-R508 HydrophobicContact CZ-CG 4.23Å; F478-C511 HydrophobicContact CD2-CB 3.79Å; F478-C511 HydrophobicContact CE2-CB 3.86Å; F478-L512 HydrophobicContact CD1-CD2 4.07Å; F478-L512 HydrophobicContact CD2-CD2 3.89Å; F478-L512 HydrophobicContact CD2-CG 4.04Å; F478-L512 HydrophobicContact CE1-CD2 3.9Å; F478-L512 HydrophobicContact CE2-CD2 3.72Å; F478-L512 HydrophobicContact CE2-CG 3.6Å; F478-L512 HydrophobicContact CG-CD2 4.08Å; F478-L512 HydrophobicContact CZ-CD2 3.73Å; F478-L512 HydrophobicContact CZ-CG 3.91Å; F478-F515 VanDerWaalsContact CA-CE2 3.48Å; F478-F515 HydrophobicContact CB-CB 4.19Å; F478-F515 HydrophobicContact CB-CD2 3.56Å; F478-F515 HydrophobicContact CB-CE2 4.25Å; F478-F515 HydrophobicContact CB-CG 4.06Å
479	R	95.4	Very high	92	Very high	56 Å²	56	54 Å²	54	21%	0.211	27%	0.269	C	S	.	.	H	α-helix	trans	-53.1	-51.9	178.5	175.3	-166.6	-70	-80.5	0.8	111.1	L454 D455 V458 A475 E476 K481 Y482 L483	L454-R479 HydrophobicContact CD2-CG 3.75Å; L454-R479 HydrophobicContact CG-CG 4.15Å; D455-R479 IonicContact OD1-CZ 3.48Å; D455-R479 IonicContact OD1-NH1 3.76Å; D455-R479 PolarHBondContact OD1-NH1 3.05Å; D455-R479 IonicContact OD1-NH2 3.31Å; D455-R479 PolarHBondContact OD1-NH2 3.33Å; V458-R479 HydrophobicContact CG2-CB 3.97Å; A475-R479 PolarHBondContact O-N 3.13Å; E476-R479 WeakPolarHBondContact O-CB 3.43Å; E476-R479 PolarHBondContact O-N 3.25Å; E476-R479 VanDerWaalsContact OE2-CD 3.31Å; E476-R479 WeakPolarHBondContact OE2-CD 3.34Å; E476-R479 IonicContact OE2-NE 3.68Å; E476-R479 PolarHBondContact OE2-NE 3.43Å; R479-K481 PolarHBondContact O-N 3.32Å; R479-Y482 PolarHBondContact O-N 2.97Å; R479-L483 WeakPolarHBondContact O-CB 3.06Å; R479-L483 PolarHBondContact O-N 2.94Å
480	Q	92.9	Very high	92.3	Very high	120 Å²	120	51.4 Å²	51.4	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-61.4	-45.4	-176.9	-69.7	173.9	6.2	0	0	111.5	E476 K477 F478 H484	E476-Q480 WeakPolarHBondContact O-CG 3.24Å; E476-Q480 PolarHBondContact O-N 2.85Å; E476-Q480 PolarHBondContact OE1-NE2 3.23Å; K477-Q480 PolarHBondContact O-N 3.3Å; F478-Q480 VanDerWaalsContact C-N 3.33Å; F478-Q480 PolarHBondContact O-N 2.81Å; Q480-H484 WeakPolarHBondContact O-CB 3.35Å; Q480-H484 PolarHBondContact O-N 2.91Å
481	K	90.3	Very high	92	Very high	54 Å²	54	51.7 Å²	51.7	24%	0.235	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-47.6	179.8	-173.6	162.5	-172.5	164.9	0	112.3	A382 K477 F478 R479 H484 K485 E514 F515	A382-K481 WeakPolarHBondContact O-CE 3.47Å; A382-K481 PolarHBondContact O-NZ 3.46Å; K477-K481 WeakPolarHBondContact O-CB 3.29Å; K477-K481 PolarHBondContact O-N 2.95Å; F478-K481 PolarHBondContact O-N 3Å; R479-K481 PolarHBondContact O-N 3.32Å; K481-H484 PolarHBondContact O-N 2.95Å; K481-K485 WeakPolarHBondContact O-CG 3.33Å; K481-K485 PolarHBondContact O-N 3.01Å; K481-K485 VanDerWaalsContact O-N 3.11Å; K481-E514 WeakPolarHBondContact CD-OE2 3.44Å; K481-E514 WeakPolarHBondContact CE-OE2 3.49Å; K481-E514 IonicContact NZ-OE1 2.73Å; K481-E514 PolarHBondContact NZ-OE1 2.83Å; K481-E514 IonicContact NZ-OE2 2.75Å; K481-E514 PolarHBondContact NZ-OE2 2.75Å; K481-F515 HydrophobicContact CB-CE2 3.8Å; K481-F515 HydrophobicContact CB-CZ 4.12Å; K481-F515 HydrophobicContact CD-CE2 3.76Å; K481-F515 HydrophobicContact CD-CZ 3.92Å; K481-F515 HydrophobicContact CG-CE2 4.31Å
482	Y	94.5	Very high	91.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-40.8	-179.1	-175.9	-116	0	0	0	112	F450 L454 F478 R479 H484 K485 L486 L504 T507 R508 C511	F450-Y482 WeakPolarHBondContact CD1-OH 3.17Å; L454-Y482 HydrophobicContact CD1-CD1 3.71Å; L454-Y482 HydrophobicContact CD1-CE1 4.39Å; L454-Y482 HydrophobicContact CD2-CD1 4.4Å; F478-Y482 HydrophobicContact CE2-CG 4.23Å; F478-Y482 HydrophobicContact CZ-CD1 4.42Å; F478-Y482 HydrophobicContact CZ-CG 4.45Å; F478-Y482 WeakPolarHBondContact O-CB 3.45Å; F478-Y482 PolarHBondContact O-N 2.9Å; R479-Y482 PolarHBondContact O-N 2.97Å; Y482-H484 VanDerWaalsContact C-N 3.32Å; Y482-H484 PolarHBondContact O-N 3.22Å; Y482-K485 WeakPolarHBondContact O-CB 3.35Å; Y482-K485 PolarHBondContact O-N 3.42Å; Y482-K485 VanDerWaalsContact O-N 3.16Å; Y482-L486 HydrophobicContact CD1-CD1 3.86Å; Y482-L486 HydrophobicContact CD2-CD2 4.44Å; Y482-L486 HydrophobicContact CE1-CD1 3.49Å; Y482-L486 VanDerWaalsContact CE1-CD1 3.49Å; Y482-L486 HydrophobicContact CE1-CD2 4.04Å; Y482-L486 HydrophobicContact CE1-CG 4.44Å; Y482-L486 HydrophobicContact CE2-CD2 3.78Å; Y482-L486 PolarHBondContact O-N 3.26Å; Y482-L504 PolarHBondContact OH-O 3.33Å; Y482-T507 HydrophobicContact CD2-CG2 4.15Å; Y482-T507 HydrophobicContact CE2-CG2 4.02Å; Y482-R508 HydrophobicContact CD2-CB 4.25Å; Y482-R508 HydrophobicContact CE1-CB 4.37Å; Y482-R508 HydrophobicContact CE1-CG 4.25Å; Y482-R508 VanDerWaalsContact CE2-CA 3.4Å; Y482-R508 HydrophobicContact CE2-CB 3.58Å; Y482-R508 HydrophobicContact CE2-CG 4.23Å; Y482-C511 HydrophobicContact CD2-CB 4.43Å
483	L	93.6	Very high	91.7	Very high	68 Å²	68	51 Å²	51	36%	0.356	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-42.1	174.3	-177.6	62.5	0	0	0	111.6	E451 L454 R479 K485 L486 Q487	E451-L483 HydrophobicContact CG-CD1 4.07Å; L454-L483 HydrophobicContact CD2-CB 4.18Å; R479-L483 WeakPolarHBondContact O-CB 3.06Å; R479-L483 PolarHBondContact O-N 2.94Å; L483-K485 VanDerWaalsContact C-N 3.3Å; L483-K485 PolarHBondContact O-N 2.96Å; L483-L486 WeakPolarHBondContact O-CB 3.4Å; L483-L486 PolarHBondContact O-N 2.85Å; L483-Q487 WeakPolarHBondContact O-CG 3.19Å; L483-Q487 PolarHBondContact O-N 2.89Å
484	H	89.4	Confident	91.5	Very high	120 Å²	120	47 Å²	47	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-61	-38.6	175.7	-177.7	70.7	0	0	0	112.5	Q480 K481 Y482 Q487 T488	Q480-H484 WeakPolarHBondContact O-CB 3.35Å; Q480-H484 PolarHBondContact O-N 2.91Å; K481-H484 PolarHBondContact O-N 2.95Å; Y482-H484 VanDerWaalsContact C-N 3.32Å; Y482-H484 PolarHBondContact O-N 3.22Å; H484-Q487 PolarHBondContact O-N 3.49Å; H484-T488 PolarHBondContact O-N 3.33Å; H484-T488 PolarHBondContact O-OG1 3.48Å
485	K	89.7	Confident	91.2	Very high	18 Å²	18	45.3 Å²	45.3	8%	0.078	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-44.9	175.8	-70	-78.3	174.6	162.9	0	112	Y381 A382 S384 K481 Y482 L483 Q487 T488 L489 Y496 T507	Y381-K485 WeakPolarHBondContact O-CE 3.3Å; Y381-K485 PolarHBondContact O-NZ 3.33Å; A382-K485 WeakPolarHBondContact O-CE 3.07Å; A382-K485 PolarHBondContact O-NZ 3.25Å; S384-K485 PolarHBondContact O-NZ 2.78Å; K481-K485 WeakPolarHBondContact O-CG 3.33Å; K481-K485 PolarHBondContact O-N 3.01Å; K481-K485 VanDerWaalsContact O-N 3.11Å; Y482-K485 WeakPolarHBondContact O-CB 3.35Å; Y482-K485 PolarHBondContact O-N 3.42Å; Y482-K485 VanDerWaalsContact O-N 3.16Å; L483-K485 VanDerWaalsContact C-N 3.3Å; L483-K485 PolarHBondContact O-N 2.96Å; K485-Q487 VanDerWaalsContact C-N 3.34Å; K485-Q487 PolarHBondContact O-N 2.96Å; K485-T488 WeakPolarHBondContact O-CB 3.41Å; K485-T488 PolarHBondContact O-N 2.94Å; K485-T488 VanDerWaalsContact O-N 3.13Å; K485-L489 WeakPolarHBondContact O-CG 3.45Å; K485-L489 PolarHBondContact O-N 3.23Å; K485-Y496 HydrophobicContact CD-CE2 4.47Å; K485-Y496 PolarHBondContact NZ-OH 2.74Å; K485-T507 HydrophobicContact CB-CG2 4.09Å; K485-T507 HydrophobicContact CG-CG2 4.41Å
486	L	93.1	Very high	91	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.3	-47.2	172.4	-97.9	152.5	0	0	0	111.9	L447 F450 E451 Y482 L483 T488 L489 R490 L504	L447-L486 HydrophobicContact CD2-CD2 4.43Å; L447-L486 HydrophobicContact CD2-CG 4.26Å; F450-L486 HydrophobicContact CB-CD1 4.15Å; E451-L486 HydrophobicContact CG-CB 4.36Å; E451-L486 HydrophobicContact CG-CD1 3.81Å; E451-L486 HydrophobicContact CG-CG 4.29Å; Y482-L486 HydrophobicContact CD1-CD1 3.86Å; Y482-L486 HydrophobicContact CD2-CD2 4.44Å; Y482-L486 HydrophobicContact CE1-CD1 3.49Å; Y482-L486 VanDerWaalsContact CE1-CD1 3.49Å; Y482-L486 HydrophobicContact CE1-CD2 4.04Å; Y482-L486 HydrophobicContact CE1-CG 4.44Å; Y482-L486 HydrophobicContact CE2-CD2 3.78Å; Y482-L486 PolarHBondContact O-N 3.26Å; L483-L486 WeakPolarHBondContact O-CB 3.4Å; L483-L486 PolarHBondContact O-N 2.85Å; L486-T488 VanDerWaalsContact C-N 3.31Å; L486-T488 PolarHBondContact O-N 3.04Å; L486-L489 PolarHBondContact O-N 3.09Å; L486-R490 PolarHBondContact O-N 2.77Å; L486-L504 HydrophobicContact CD2-CD2 3.93Å
487	Q	90.7	Very high	90.8	Very high	66 Å²	66	42.3 Å²	42.3	31%	0.308	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-36.5	177	-67.6	-55.7	-31.3	0	0	112.4	E451 L483 H484 K485 R490 H491	E451-Q487 PolarHBondContact OE1-NE2 2.94Å; L483-Q487 WeakPolarHBondContact O-CG 3.19Å; L483-Q487 PolarHBondContact O-N 2.89Å; H484-Q487 PolarHBondContact O-N 3.49Å; K485-Q487 VanDerWaalsContact C-N 3.34Å; K485-Q487 PolarHBondContact O-N 2.96Å; Q487-R490 WeakPolarHBondContact O-CB 3.17Å; Q487-R490 PolarHBondContact O-N 2.81Å; Q487-H491 PolarHBondContact O-N 2.87Å; Q487-H491 PolarHBondContact O-ND1 2.96Å
488	T	87.8	Confident	90.7	Very high	26 Å²	26	38.3 Å²	38.3	16%	0.16	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-49.2	174	-57.6	0	0	0	0	110.7	H484 K485 L486 R490 H491 Q492	H484-T488 PolarHBondContact O-N 3.33Å; H484-T488 PolarHBondContact O-OG1 3.48Å; K485-T488 WeakPolarHBondContact O-CB 3.41Å; K485-T488 PolarHBondContact O-N 2.94Å; K485-T488 VanDerWaalsContact O-N 3.13Å; L486-T488 VanDerWaalsContact C-N 3.31Å; L486-T488 PolarHBondContact O-N 3.04Å; T488-R490 VanDerWaalsContact C-N 3.26Å; T488-R490 PolarHBondContact O-N 3.08Å; T488-H491 PolarHBondContact O-N 2.91Å; T488-H491 VanDerWaalsContact O-N 3.1Å; T488-Q492 PolarHBondContact O-N 3Å
489	L	91.1	Very high	90.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-28.3	179.9	-73.2	171.9	0	0	0	113.5	L447 K485 L486 H491 Q492 P493 A495 Y496 L499 L504	L447-L489 HydrophobicContact CD2-CB 4.22Å; K485-L489 WeakPolarHBondContact O-CG 3.45Å; K485-L489 PolarHBondContact O-N 3.23Å; L486-L489 PolarHBondContact O-N 3.09Å; L489-H491 VanDerWaalsContact C-N 3.32Å; L489-H491 PolarHBondContact O-N 3.49Å; L489-Q492 CarbonylContact O-C 3.58Å; L489-P493 VanDerWaalsContact O-CA 3.29Å; L489-P493 WeakPolarHBondContact O-CA 3.43Å; L489-A495 HydrophobicContact CD2-CB 4.36Å; L489-Y496 HydrophobicContact CD2-CD2 3.78Å; L489-Y496 HydrophobicContact CD2-CE2 4.16Å; L489-L499 HydrophobicContact CB-CD1 4.34Å; L489-L499 HydrophobicContact CB-CD2 4.42Å; L489-L499 HydrophobicContact CD1-CD1 3.87Å; L489-L499 HydrophobicContact CD2-CD1 3.88Å; L489-L499 HydrophobicContact CG-CD1 4.25Å; L489-L504 HydrophobicContact CD1-CD2 3.72Å
490	R	90.1	Very high	90.6	Very high	57 Å²	57	36 Å²	36	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-39.9	172.7	-168.1	176.4	-78.2	-106.2	7.4	112.3	E444 L447 S448 E451 L486 Q487 T488	E444-R490 IonicContact OE1-CZ 3.74Å; E444-R490 IonicContact OE1-NH1 3.89Å; E444-R490 PolarHBondContact OE1-NH1 2.91Å; E444-R490 IonicContact OE1-NH2 3.05Å; E444-R490 IonicContact OE2-CZ 2.99Å; E444-R490 IonicContact OE2-NH1 2.74Å; E444-R490 PolarHBondContact OE2-NH1 3.47Å; L447-R490 HydrophobicContact CD1-CB 3.78Å; L447-R490 HydrophobicContact CD1-CG 4.07Å; S448-R490 PolarHBondContact OG-NH2 2.73Å; E451-R490 VanDerWaalsContact CD-NH2 3.31Å; E451-R490 IonicContact OE1-CZ 3.27Å; E451-R490 IonicContact OE1-NE 3.38Å; E451-R490 PolarHBondContact OE1-NE 2.87Å; E451-R490 IonicContact OE1-NH2 2.67Å; E451-R490 PolarHBondContact OE1-NH2 2.96Å; E451-R490 IonicContact OE2-NH2 2.69Å; E451-R490 PolarHBondContact OE2-NH2 3.33Å; L486-R490 PolarHBondContact O-N 2.77Å; Q487-R490 WeakPolarHBondContact O-CB 3.17Å; Q487-R490 PolarHBondContact O-N 2.81Å; T488-R490 VanDerWaalsContact C-N 3.26Å; T488-R490 PolarHBondContact O-N 3.08Å
491	H	85.8	Confident	90.6	Very high	114 Å²	114	30.7 Å²	30.7	53%	0.528	15%	0.145	S	C	.	.	H	α-helix	trans	-93.3	-28.7	-178.3	-60.9	86.3	0	0	0	112.8	M394 Q487 T488 L489	M394-H491 HydrophobicContact CE-CB 4.11Å; Q487-H491 PolarHBondContact O-N 2.87Å; Q487-H491 PolarHBondContact O-ND1 2.96Å; T488-H491 PolarHBondContact O-N 2.91Å; T488-H491 VanDerWaalsContact O-N 3.1Å; L489-H491 VanDerWaalsContact C-N 3.32Å; L489-H491 PolarHBondContact O-N 3.49Å
492	Q	87.3	Confident	90.8	Very high	34 Å²	34	29 Å²	29	16%	0.159	14%	0.138	C	C	.	.			trans	-134.8	74.5	-176.3	-66.2	-179.9	-26.5	0	0	109.7	T488 L489 F494 A495	T488-Q492 PolarHBondContact O-N 3Å; L489-Q492 CarbonylContact O-C 3.58Å; Q492-F494 HydrophobicContact CB-CE2 4.32Å; Q492-F494 HydrophobicContact CB-CZ 4.09Å; Q492-F494 HydrophobicContact CG-CZ 4.11Å; Q492-F494 PolarHBondContact O-N 2.79Å; Q492-A495 HydrophobicContact CB-CB 4.25Å; Q492-A495 WeakPolarHBondContact O-CB 3.43Å; Q492-A495 PolarHBondContact O-N 2.89Å; Q492-A495 VanDerWaalsContact O-N 3.14Å
493	P	90.2	Very high	90.8	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.084	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-63.2	-26.8	-177.3	24.1	-34	0	0	0	113.1	T437 L489 A495 L499	T437-P493 HydrophobicContact CG2-CB 4.24Å; T437-P493 HydrophobicContact CG2-CG 4.24Å; L489-P493 VanDerWaalsContact O-CA 3.29Å; L489-P493 WeakPolarHBondContact O-CA 3.43Å; P493-A495 VanDerWaalsContact C-N 3.25Å; P493-A495 PolarHBondContact O-N 2.7Å; P493-L499 HydrophobicContact CB-CB 4.12Å; P493-L499 HydrophobicContact CB-CD2 3.86Å; P493-L499 WeakPolarHBondContact O-CB 3.46Å
494	F	88.8	Confident	90.8	Very high	24 Å²	24	26.2 Å²	26.2	11%	0.105	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-80.7	2.4	179.2	53.1	-96.8	0	0	0	114.1	F175 F177 L387 T437 Q492 Y496 G497	F175-F494 HydrophobicContact CB-CB 4.03Å; F175-F494 HydrophobicContact CD2-CB 4.09Å; F175-F494 AromaticContact CD2-CD1 3.69Å; F175-F494 HydrophobicContact CD2-CD1 3.69Å; F175-F494 HydrophobicContact CD2-CD2 4.13Å; F175-F494 HydrophobicContact CD2-CE1 4.21Å; F175-F494 AromaticContact CD2-CG 3.66Å; F175-F494 HydrophobicContact CD2-CG 3.66Å; F175-F494 AromaticContact CE2-CD1 3.93Å; F175-F494 HydrophobicContact CE2-CD1 3.93Å; F175-F494 HydrophobicContact CE2-CD2 4.03Å; F175-F494 HydrophobicContact CE2-CE1 4Å; F175-F494 HydrophobicContact CE2-CE2 4.1Å; F175-F494 AromaticContact CE2-CG 3.97Å; F175-F494 HydrophobicContact CE2-CG 3.97Å; F175-F494 HydrophobicContact CE2-CZ 4.1Å; F175-F494 HydrophobicContact CG-CB 4.05Å; F175-F494 HydrophobicContact CG-CD1 4.48Å; F175-F494 HydrophobicContact CG-CD2 4.45Å; F175-F494 HydrophobicContact CG-CG 4.06Å; F175-F494 HydrophobicContact CZ-CD2 4.26Å; F175-F494 HydrophobicContact CZ-CE2 4.28Å; F177-F494 HydrophobicContact CE2-CB 3.73Å; F177-F494 HydrophobicContact CZ-CB 3.85Å; F177-F494 WeakPolarHBondContact CZ-O 3.26Å; L387-F494 HydrophobicContact CD2-CD2 4.33Å; T437-F494 HydrophobicContact CG2-CB 4.31Å; Q492-F494 HydrophobicContact CB-CE2 4.32Å; Q492-F494 HydrophobicContact CB-CZ 4.09Å; Q492-F494 HydrophobicContact CG-CZ 4.11Å; Q492-F494 PolarHBondContact O-N 2.79Å; F494-Y496 PolarHBondContact O-N 3.42Å; F494-G497 CarbonylContact C-O 3.51Å; F494-G497 WeakPolarHBondContact CA-O 3.21Å; F494-G497 PolarHBondContact O-N 2.84Å
495	A	87.9	Confident	91	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-57.2	-35.8	-171.7	0	0	0	0	0	113.2	G386 L387 L489 Q492 P493	G386-A495 CarbonylContact C-O 3.57Å; G386-A495 VanDerWaalsContact CA-O 3.26Å; G386-A495 WeakPolarHBondContact CA-O 3.4Å; L387-A495 PolarHBondContact N-O 3.45Å; L489-A495 HydrophobicContact CD2-CB 4.36Å; Q492-A495 HydrophobicContact CB-CB 4.25Å; Q492-A495 WeakPolarHBondContact O-CB 3.43Å; Q492-A495 PolarHBondContact O-N 2.89Å; Q492-A495 VanDerWaalsContact O-N 3.14Å; P493-A495 VanDerWaalsContact C-N 3.25Å; P493-A495 PolarHBondContact O-N 2.7Å
496	Y	89.8	Confident	91.1	Very high	17 Å²	17	21.4 Å²	21.4	7%	0.067	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-120.5	30.9	-177.8	-52.3	-79.4	0	0	0	113	R352 Y381 S384 K485 L489 F494	R352-Y496 PolarHBondContact NH1-O 2.98Å; R352-Y496 VanDerWaalsContact NH1-O 3.08Å; Y381-Y496 AromaticContact CD1-CD1 3.97Å; Y381-Y496 HydrophobicContact CD1-CD1 3.97Å; Y381-Y496 AromaticContact CD1-CG 3.99Å; Y381-Y496 HydrophobicContact CD1-CG 3.99Å; Y381-Y496 HydrophobicContact CE1-CG 4.46Å; S384-Y496 PolarHBondContact O-OH 3.43Å; K485-Y496 HydrophobicContact CD-CE2 4.47Å; K485-Y496 PolarHBondContact NZ-OH 2.74Å; L489-Y496 HydrophobicContact CD2-CD2 3.78Å; L489-Y496 HydrophobicContact CD2-CE2 4.16Å; F494-Y496 PolarHBondContact O-N 3.42Å
497	G	90.6	Very high	91.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	96.1	-157.1	-168.5	0	0	0	0	0	111.4	F177 F494 L499	F177-G497 VanDerWaalsContact CD2-C 3.46Å; F177-G497 WeakPolarHBondContact CE2-O 3.34Å; F494-G497 CarbonylContact C-O 3.51Å; F494-G497 WeakPolarHBondContact CA-O 3.21Å; F494-G497 PolarHBondContact O-N 2.84Å; G497-L499 PolarHBondContact O-N 3.33Å
498	S	91	Very high	91.3	Very high	12 Å²	12	18.8 Å²	18.8	8%	0.084	9%	0.091	C	C	.	.	S	Bend	trans	-63.2	126.9	171.4	-75.1	0	0	0	0	110.1	F177 D435 T437 T500	F177-S498 VanDerWaalsContact CD2-N 3.3Å; D435-S498 WeakPolarHBondContact OD2-CB 3.29Å; D435-S498 PolarHBondContact OD2-OG 3.45Å; T437-S498 WeakPolarHBondContact OG1-CA 3.44Å; S498-T500 PolarHBondContact O-N 3.36Å
499	L	93.8	Very high	91.5	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.085	C	C	.	.			trans	-73.2	121.7	171.3	-176.8	61.5	0	0	0	109.3	L436 T437 R443 L489 P493 G497 L504	L436-L499 WeakPolarHBondContact CA-O 3.49Å; L436-L499 HydrophobicContact CB-CB 4.13Å; L436-L499 HydrophobicContact CB-CD2 4.03Å; L436-L499 HydrophobicContact CB-CG 3.86Å; L436-L499 WeakPolarHBondContact CB-O 3.46Å; L436-L499 HydrophobicContact CD1-CG 4.18Å; L436-L499 PolarHBondContact N-O 3.2Å; T437-L499 PolarHBondContact OG1-N 3.45Å; R443-L499 HydrophobicContact CG-CD2 3.87Å; L489-L499 HydrophobicContact CB-CD1 4.34Å; L489-L499 HydrophobicContact CB-CD2 4.42Å; L489-L499 HydrophobicContact CD1-CD1 3.87Å; L489-L499 HydrophobicContact CD2-CD1 3.88Å; L489-L499 HydrophobicContact CG-CD1 4.25Å; P493-L499 HydrophobicContact CB-CB 4.12Å; P493-L499 HydrophobicContact CB-CD2 3.86Å; P493-L499 WeakPolarHBondContact O-CB 3.46Å; G497-L499 PolarHBondContact O-N 3.33Å; L499-L504 HydrophobicContact CD1-CD2 3.9Å; L499-L504 HydrophobicContact CD1-CG 3.95Å
500	T	94.3	Very high	91.5	Very high	4 Å²	4	20 Å²	20	3%	0.025	9%	0.094	C	C	.	.			trans	-135.1	166	177	77.4	0	0	0	0	110.7	D432 S498 R502 S503 L504	D432-T500 HydrophobicContact CB-CG2 3.74Å; D432-T500 WeakPolarHBondContact OD1-CB 3.4Å; D432-T500 PolarHBondContact OD1-OG1 3.4Å; S498-T500 PolarHBondContact O-N 3.36Å; T500-R502 PolarHBondContact O-N 2.94Å; T500-R502 PolarHBondContact OG1-N 2.91Å; T500-S503 PolarHBondContact N-OG 3.23Å; T500-S503 PolarHBondContact O-N 2.94Å; T500-S503 PolarHBondContact O-OG 2.91Å; T500-S503 PolarHBondContact OG1-N 3.32Å; T500-S503 VanDerWaalsContact OG1-N 3.14Å; T500-L504 PolarHBondContact O-N 3.43Å; T500-L504 VanDerWaalsContact O-N 3.13Å
501	V	93.6	Very high	91.6	Very high	9 Å²	9	17.3 Å²	17.3	6%	0.055	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-39.3	174.1	178.6	0	0	0	0	110.9	L436 W446 F450 L504 L505	L436-V501 HydrophobicContact CD1-CG2 4.25Å; W446-V501 HydrophobicContact CD2-CG2 3.73Å; W446-V501 HydrophobicContact CE3-CG1 4.46Å; W446-V501 HydrophobicContact CE3-CG2 4.23Å; W446-V501 HydrophobicContact CG-CG2 4Å; W446-V501 HydrophobicContact CZ2-CG2 4.18Å; W446-V501 HydrophobicContact CZ3-CG1 4.43Å; F450-V501 HydrophobicContact CZ-CG1 4.41Å; V501-L504 PolarHBondContact O-N 3.41Å; V501-L505 HydrophobicContact CG1-CD1 3.87Å; V501-L505 WeakPolarHBondContact O-CG 3.49Å; V501-L505 PolarHBondContact O-N 3.23Å
502	R	94.2	Very high	91.9	Very high	19 Å²	19	11.9 Å²	11.9	7%	0.072	6%	0.059	C	C	.	.	H	α-helix	trans	-59	-49.6	173.8	177.2	174.6	61.4	80.7	-2.1	111.7	D432 T500 L504 L505 D506 C697	D432-R502 VanDerWaalsContact OD1-CB 3.28Å; D432-R502 WeakPolarHBondContact OD1-CB 3.24Å; D432-R502 IonicContact OD1-CZ 3.2Å; D432-R502 IonicContact OD1-NE 3.15Å; D432-R502 PolarHBondContact OD1-NE 2.74Å; D432-R502 IonicContact OD1-NH2 2.94Å; D432-R502 IonicContact OD2-CZ 3.77Å; D432-R502 IonicContact OD2-NE 2.62Å; D432-R502 PolarHBondContact OD2-NE 3.47Å; D432-R502 IonicContact OD2-NH2 3.69Å; D432-R502 PolarHBondContact OD2-NH2 3.39Å; T500-R502 PolarHBondContact O-N 2.94Å; T500-R502 PolarHBondContact OG1-N 2.91Å; R502-L504 PolarHBondContact O-N 3.22Å; R502-L505 PolarHBondContact O-N 3.39Å; R502-D506 WeakPolarHBondContact CG-OD2 3.37Å; R502-D506 IonicContact NH1-OD2 3.19Å; R502-D506 VanDerWaalsContact O-CG 3.23Å; R502-D506 PolarHBondContact O-N 3.46Å; R502-C697 HydrophobicContact CB-CB 3.83Å; R502-C697 HydrophobicContact CG-CB 3.64Å
503	S	93.1	Very high	92	Very high	11 Å²	11	12.9 Å²	12.9	8%	0.077	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-31.9	179.7	72.7	0	0	0	0	113.5	T500 T507	T500-S503 PolarHBondContact N-OG 3.23Å; T500-S503 PolarHBondContact O-N 2.94Å; T500-S503 PolarHBondContact O-OG 2.91Å; T500-S503 PolarHBondContact OG1-N 3.32Å; T500-S503 VanDerWaalsContact OG1-N 3.14Å; S503-T507 WeakPolarHBondContact O-CB 3.49Å; S503-T507 PolarHBondContact O-N 3.14Å; S503-T507 PolarHBondContact O-OG1 3.21Å
504	L	94.7	Very high	91.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.8	-43.5	173.9	-70.8	169.9	0	0	0	111.5	L436 W446 L447 F450 Y482 L486 L489 L499 T500 V501 R502 T507 R508	L436-L504 HydrophobicContact CD1-CD1 3.89Å; W446-L504 HydrophobicContact CB-CD1 4.25Å; L447-L504 HydrophobicContact CD2-CD2 3.84Å; F450-L504 HydrophobicContact CD2-CB 4.1Å; F450-L504 HydrophobicContact CD2-CD1 3.74Å; F450-L504 HydrophobicContact CD2-CG 4.45Å; F450-L504 HydrophobicContact CE1-CB 4.23Å; F450-L504 HydrophobicContact CE2-CB 3.76Å; F450-L504 HydrophobicContact CE2-CD1 3.7Å; F450-L504 HydrophobicContact CE2-CG 4.36Å; F450-L504 HydrophobicContact CZ-CB 3.83Å; Y482-L504 PolarHBondContact OH-O 3.33Å; L486-L504 HydrophobicContact CD2-CD2 3.93Å; L489-L504 HydrophobicContact CD1-CD2 3.72Å; L499-L504 HydrophobicContact CD1-CD2 3.9Å; L499-L504 HydrophobicContact CD1-CG 3.95Å; T500-L504 PolarHBondContact O-N 3.43Å; T500-L504 VanDerWaalsContact O-N 3.13Å; V501-L504 PolarHBondContact O-N 3.41Å; R502-L504 PolarHBondContact O-N 3.22Å; L504-T507 PolarHBondContact O-N 3.31Å; L504-R508 PolarHBondContact O-N 3.06Å; L504-R508 VanDerWaalsContact O-N 3.08Å
505	L	93.4	Very high	91.9	Very high	15 Å²	15	14.7 Å²	14.7	8%	0.079	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-47.9	175.9	-68.2	160.1	0	0	0	110.8	F450 V501 R502 T507 R508 E509 P696	F450-L505 HydrophobicContact CE1-CD2 3.58Å; F450-L505 HydrophobicContact CE1-CG 3.98Å; F450-L505 HydrophobicContact CZ-CD2 3.75Å; F450-L505 HydrophobicContact CZ-CG 3.77Å; V501-L505 HydrophobicContact CG1-CD1 3.87Å; V501-L505 WeakPolarHBondContact O-CG 3.49Å; V501-L505 PolarHBondContact O-N 3.23Å; R502-L505 PolarHBondContact O-N 3.39Å; L505-T507 VanDerWaalsContact C-N 3.3Å; L505-T507 PolarHBondContact O-N 2.87Å; L505-R508 WeakPolarHBondContact O-CB 3.41Å; L505-R508 PolarHBondContact O-N 2.64Å; L505-R508 VanDerWaalsContact O-N 3.08Å; L505-E509 PolarHBondContact O-N 2.79Å; L505-P696 HydrophobicContact CB-CG 3.91Å; L505-P696 HydrophobicContact CD1-CG 3.68Å; L505-P696 HydrophobicContact CD2-CG 4.12Å; L505-P696 HydrophobicContact CG-CG 4.08Å
506	D	92.4	Very high	92	Very high	22 Å²	22	16.7 Å²	16.7	12%	0.118	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-41.2	177.2	-63.6	-13.7	0	0	0	111.1	Y381 R502 R508 E509 H510 S695	Y381-D506 HydrophobicContact CD2-CB 4.13Å; Y381-D506 HydrophobicContact CE2-CB 3.99Å; R502-D506 WeakPolarHBondContact CG-OD2 3.37Å; R502-D506 IonicContact NH1-OD2 3.19Å; R502-D506 VanDerWaalsContact O-CG 3.23Å; R502-D506 PolarHBondContact O-N 3.46Å; D506-R508 VanDerWaalsContact C-N 3.31Å; D506-R508 PolarHBondContact O-N 3.1Å; D506-E509 PolarHBondContact O-N 3.48Å; D506-H510 WeakPolarHBondContact O-CB 3.46Å; D506-H510 PolarHBondContact O-N 3.43Å; D506-H510 PolarHBondContact O-ND1 3.33Å; D506-S695 VanDerWaalsContact OD1-CB 3.22Å; D506-S695 WeakPolarHBondContact OD1-CB 3.27Å; D506-S695 PolarHBondContact OD1-OG 3.49Å
507	T	93.4	Very high	92.1	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-39.8	175.5	-61.5	0	0	0	0	111.9	Y482 K485 S503 L504 L505 C511	Y482-T507 HydrophobicContact CD2-CG2 4.15Å; Y482-T507 HydrophobicContact CE2-CG2 4.02Å; K485-T507 HydrophobicContact CB-CG2 4.09Å; K485-T507 HydrophobicContact CG-CG2 4.41Å; S503-T507 WeakPolarHBondContact O-CB 3.49Å; S503-T507 PolarHBondContact O-N 3.14Å; S503-T507 PolarHBondContact O-OG1 3.21Å; L504-T507 PolarHBondContact O-N 3.31Å; L505-T507 VanDerWaalsContact C-N 3.3Å; L505-T507 PolarHBondContact O-N 2.87Å; T507-C511 WeakPolarHBondContact O-CB 3.37Å; T507-C511 PolarHBondContact O-N 3.44Å; T507-C511 PolarHBondContact O-SG 2.95Å; T507-C511 VanDerWaalsContact O-SG 3.33Å
508	R	94.4	Very high	92	Very high	10 Å²	10	16.3 Å²	16.3	4%	0.038	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-49	176	-173.3	-172.8	64.8	-153.7	-8.9	111.3	F478 Y482 L504 L505 D506 C511 L512 L655	F478-R508 HydrophobicContact CE2-CG 4.4Å; F478-R508 HydrophobicContact CZ-CG 4.23Å; Y482-R508 HydrophobicContact CD2-CB 4.25Å; Y482-R508 HydrophobicContact CE1-CB 4.37Å; Y482-R508 HydrophobicContact CE1-CG 4.25Å; Y482-R508 VanDerWaalsContact CE2-CA 3.4Å; Y482-R508 HydrophobicContact CE2-CB 3.58Å; Y482-R508 HydrophobicContact CE2-CG 4.23Å; L504-R508 PolarHBondContact O-N 3.06Å; L504-R508 VanDerWaalsContact O-N 3.08Å; L505-R508 WeakPolarHBondContact O-CB 3.41Å; L505-R508 PolarHBondContact O-N 2.64Å; L505-R508 VanDerWaalsContact O-N 3.08Å; D506-R508 VanDerWaalsContact C-N 3.31Å; D506-R508 PolarHBondContact O-N 3.1Å; R508-C511 PolarHBondContact O-N 2.76Å; R508-L512 HydrophobicContact CG-CD1 4.15Å; R508-L512 WeakPolarHBondContact O-CG 3.19Å; R508-L512 PolarHBondContact O-N 3.26Å; R508-L655 VanDerWaalsContact NH2-CG 3.27Å
509	E	91.8	Very high	92.1	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.037	8%	0.081	C	C	.	.	H	α-helix	trans	-63.4	-42.6	-179.4	-60.7	-45.5	134.7	0	0	111.3	L505 D506 C511 L512 N513	L505-E509 PolarHBondContact O-N 2.79Å; D506-E509 PolarHBondContact O-N 3.48Å; E509-C511 VanDerWaalsContact C-N 3.32Å; E509-C511 PolarHBondContact O-N 2.93Å; E509-L512 PolarHBondContact O-N 3.41Å; E509-N513 WeakPolarHBondContact O-CB 3.34Å; E509-N513 PolarHBondContact O-N 3.13Å; E509-N513 PolarHBondContact O-ND2 2.96Å
510	H	91.1	Very high	92	Very high	46 Å²	46	16.3 Å²	16.3	21%	0.213	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-41.8	174.4	-66	166.6	0	0	0	112.2	E379 Y381 A382 D506 E514	E379-H510 PolarHBondContact O-CE1 3.44Å; Y381-H510 AromaticContact CD2-CE1 3.81Å; Y381-H510 AromaticContact CD2-ND1 3.58Å; Y381-H510 AromaticContact CG-ND1 3.97Å; Y381-H510 PolarHBondContact N-ND1 2.96Å; A382-H510 HydrophobicContact CB-CB 3.9Å; D506-H510 WeakPolarHBondContact O-CB 3.46Å; D506-H510 PolarHBondContact O-N 3.43Å; D506-H510 PolarHBondContact O-ND1 3.33Å; H510-E514 PolarHBondContact O-N 3.44Å; H510-E514 VanDerWaalsContact O-N 3.07Å
511	C	92.4	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.4	-41.8	175.2	-72.7	0	0	0	0	112.3	F478 Y482 T507 R508 E509 N513 E514 F515	F478-C511 HydrophobicContact CD2-CB 3.79Å; F478-C511 HydrophobicContact CE2-CB 3.86Å; Y482-C511 HydrophobicContact CD2-CB 4.43Å; T507-C511 WeakPolarHBondContact O-CB 3.37Å; T507-C511 PolarHBondContact O-N 3.44Å; T507-C511 PolarHBondContact O-SG 2.95Å; T507-C511 VanDerWaalsContact O-SG 3.33Å; R508-C511 PolarHBondContact O-N 2.76Å; E509-C511 VanDerWaalsContact C-N 3.32Å; E509-C511 PolarHBondContact O-N 2.93Å; C511-N513 PolarHBondContact O-N 2.98Å; C511-E514 PolarHBondContact O-N 3.33Å; C511-F515 WeakPolarHBondContact O-CD2 3.31Å; C511-F515 PolarHBondContact O-N 3.16Å
512	L	92.3	Very high	91.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.4	-45.5	176.5	-77.1	165.8	0	0	0	111.7	V457 A461 F478 R508 E509 E514 F515 N516 F517 P520	V457-L512 HydrophobicContact CG1-CD1 4.15Å; V457-L512 HydrophobicContact CG1-CD2 4.17Å; A461-L512 HydrophobicContact CB-CD2 4.25Å; F478-L512 HydrophobicContact CD1-CD2 4.07Å; F478-L512 HydrophobicContact CD2-CD2 3.89Å; F478-L512 HydrophobicContact CD2-CG 4.04Å; F478-L512 HydrophobicContact CE1-CD2 3.9Å; F478-L512 HydrophobicContact CE2-CD2 3.72Å; F478-L512 HydrophobicContact CE2-CG 3.6Å; F478-L512 HydrophobicContact CG-CD2 4.08Å; F478-L512 HydrophobicContact CZ-CD2 3.73Å; F478-L512 HydrophobicContact CZ-CG 3.91Å; R508-L512 HydrophobicContact CG-CD1 4.15Å; R508-L512 WeakPolarHBondContact O-CG 3.19Å; R508-L512 PolarHBondContact O-N 3.26Å; E509-L512 PolarHBondContact O-N 3.41Å; L512-E514 PolarHBondContact O-N 2.92Å; L512-F515 CarbonylContact O-C 3.51Å; L512-F515 PolarHBondContact O-N 3.43Å; L512-N516 PolarHBondContact O-N 3.4Å; L512-F517 HydrophobicContact CB-CB 4.34Å; L512-F517 HydrophobicContact CD2-CB 4.11Å; L512-F517 HydrophobicContact CD2-CD2 4.5Å; L512-F517 PolarHBondContact O-N 3.44Å; L512-P520 HydrophobicContact CD1-CG 4.01Å; L512-P520 HydrophobicContact CD2-CG 4.19Å
513	N	88.9	Confident	91.5	Very high	55 Å²	55	19.6 Å²	19.6	29%	0.294	10%	0.098	S	C	.	.	H	α-helix	trans	-62.9	-40.3	178.5	-75	-32.2	0	0	0	112.3	E509 C511 F515 N516	E509-N513 WeakPolarHBondContact O-CB 3.34Å; E509-N513 PolarHBondContact O-N 3.13Å; E509-N513 PolarHBondContact O-ND2 2.96Å; C511-N513 PolarHBondContact O-N 2.98Å; N513-F515 PolarHBondContact O-N 3.07Å; N513-N516 PolarHBondContact O-N 2.88Å
514	E	87.1	Confident	91.3	Very high	48 Å²	48	20.9 Å²	20.9	22%	0.224	10%	0.103	C	C	.	.	H	α-helix	trans	-60.2	-32.2	176.2	-171.7	-179.4	167.8	0	0	113	A382 K481 H510 C511 L512 N516	A382-E514 VanDerWaalsContact CB-OE2 3.24Å; A382-E514 WeakPolarHBondContact CB-OE2 3.21Å; K481-E514 WeakPolarHBondContact CD-OE2 3.44Å; K481-E514 WeakPolarHBondContact CE-OE2 3.49Å; K481-E514 IonicContact NZ-OE1 2.73Å; K481-E514 PolarHBondContact NZ-OE1 2.83Å; K481-E514 IonicContact NZ-OE2 2.75Å; K481-E514 PolarHBondContact NZ-OE2 2.75Å; H510-E514 PolarHBondContact O-N 3.44Å; H510-E514 VanDerWaalsContact O-N 3.07Å; C511-E514 PolarHBondContact O-N 3.33Å; L512-E514 PolarHBondContact O-N 2.92Å; E514-N516 VanDerWaalsContact C-N 3.34Å
515	F	90.4	Very high	91.2	Very high	27 Å²	27	20.9 Å²	20.9	12%	0.118	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	19.5	175	-63.9	-70.9	0	0	0	113.2	R474 K477 F478 K481 C511 L512 N513 F517	R474-F515 HydrophobicContact CB-CB 4.46Å; R474-F515 WeakPolarHBondContact CD-O 2.98Å; R474-F515 PolarHBondContact NH1-O 3.19Å; K477-F515 HydrophobicContact CB-CD1 3.8Å; K477-F515 HydrophobicContact CB-CE1 3.42Å; K477-F515 VanDerWaalsContact CB-CE1 3.42Å; K477-F515 HydrophobicContact CB-CZ 3.87Å; K477-F515 HydrophobicContact CD-CE1 4.39Å; K477-F515 HydrophobicContact CG-CE1 4.45Å; F478-F515 VanDerWaalsContact CA-CE2 3.48Å; F478-F515 HydrophobicContact CB-CB 4.19Å; F478-F515 HydrophobicContact CB-CD2 3.56Å; F478-F515 HydrophobicContact CB-CE2 4.25Å; F478-F515 HydrophobicContact CB-CG 4.06Å; K481-F515 HydrophobicContact CB-CE2 3.8Å; K481-F515 HydrophobicContact CB-CZ 4.12Å; K481-F515 HydrophobicContact CD-CE2 3.76Å; K481-F515 HydrophobicContact CD-CZ 3.92Å; K481-F515 HydrophobicContact CG-CE2 4.31Å; C511-F515 WeakPolarHBondContact O-CD2 3.31Å; C511-F515 PolarHBondContact O-N 3.16Å; L512-F515 CarbonylContact O-C 3.51Å; L512-F515 PolarHBondContact O-N 3.43Å; N513-F515 PolarHBondContact O-N 3.07Å; F515-F517 HydrophobicContact CB-CD2 4.17Å; F515-F517 HydrophobicContact CB-CE2 4.29Å; F515-F517 WeakPolarHBondContact O-CD2 3.27Å
516	N	89.9	Confident	91.1	Very high	43 Å²	43	21.7 Å²	21.7	23%	0.23	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	41	173	-70.5	-45.4	0	0	0	114.3	K57 Q465 R474 L512 N513 E514 P518	K57-N516 HydrophobicContact CB-CB 4.44Å; K57-N516 HydrophobicContact CD-CB 4.12Å; K57-N516 HydrophobicContact CG-CB 4.18Å; K57-N516 PolarHBondContact N-OD1 3.04Å; Q465-N516 PolarHBondContact NE2-O 3.25Å; R474-N516 PolarHBondContact NH1-O 3.43Å; L512-N516 PolarHBondContact O-N 3.4Å; N513-N516 PolarHBondContact O-N 2.88Å; E514-N516 VanDerWaalsContact C-N 3.34Å; N516-P518 VanDerWaalsContact C-CD 3.48Å; N516-P518 VanDerWaalsContact O-CD 3.31Å; N516-P518 WeakPolarHBondContact O-CD 3.16Å
517	F	91.6	Very high	90.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.131	C	C	.	.			trans	-110.9	80.8	168.4	-66.4	-71.4	0	0	0	110.7	A461 A471 R474 A475 L512 F515 D519 P520	A461-F517 HydrophobicContact CB-CB 4.47Å; A461-F517 HydrophobicContact CB-CD1 3.79Å; A461-F517 HydrophobicContact CB-CD2 4.13Å; A461-F517 HydrophobicContact CB-CE1 3.97Å; A461-F517 HydrophobicContact CB-CE2 4.29Å; A461-F517 HydrophobicContact CB-CG 3.87Å; A461-F517 HydrophobicContact CB-CZ 4.21Å; A461-F517 WeakPolarHBondContact O-CD1 3.18Å; A461-F517 WeakPolarHBondContact O-CE1 3.41Å; A471-F517 HydrophobicContact CB-CE1 4.33Å; A471-F517 HydrophobicContact CB-CZ 4.43Å; A471-F517 WeakPolarHBondContact O-CZ 3.2Å; R474-F517 HydrophobicContact CB-CE2 3.82Å; R474-F517 HydrophobicContact CB-CZ 4.02Å; A475-F517 HydrophobicContact CB-CE2 4.08Å; A475-F517 HydrophobicContact CB-CZ 3.95Å; L512-F517 HydrophobicContact CB-CB 4.34Å; L512-F517 HydrophobicContact CD2-CB 4.11Å; L512-F517 HydrophobicContact CD2-CD2 4.5Å; L512-F517 PolarHBondContact O-N 3.44Å; F515-F517 HydrophobicContact CB-CD2 4.17Å; F515-F517 HydrophobicContact CB-CE2 4.29Å; F515-F517 WeakPolarHBondContact O-CD2 3.27Å; F517-D519 PolarHBondContact O-N 3.46Å; F517-P520 HydrophobicContact CB-CG 4.35Å
518	P	88.1	Confident	90.8	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.058	14%	0.137	C	C	.	.	S	Bend	trans	-69.2	-31.2	-173.1	21.4	-30.9	0	0	0	115.4	K57 A59 V81 N516	K57-P518 HydrophobicContact CB-CG 4.1Å; K57-P518 VanDerWaalsContact O-CB 3.31Å; K57-P518 WeakPolarHBondContact O-CB 3.37Å; A59-P518 HydrophobicContact CB-CB 4.24Å; A59-P518 HydrophobicContact CB-CG 4.28Å; V81-P518 HydrophobicContact CG1-CG 4.41Å; N516-P518 VanDerWaalsContact C-CD 3.48Å; N516-P518 VanDerWaalsContact O-CD 3.31Å; N516-P518 WeakPolarHBondContact O-CD 3.16Å
519	D	92.4	Very high	90.8	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	14%	0.135	C	C	.	.			trans	-152.3	87.1	179	-170.1	-15.5	0	0	0	110.2	A59 F517 Y521 S522 K525 P653	A59-D519 HydrophobicContact CB-CB 3.63Å; F517-D519 PolarHBondContact O-N 3.46Å; D519-Y521 PolarHBondContact O-N 3.4Å; D519-Y521 VanDerWaalsContact O-N 3.15Å; D519-Y521 WeakPolarHBondContact OD1-CA 3.47Å; D519-Y521 PolarHBondContact OD1-N 3.25Å; D519-S522 PolarHBondContact O-N 2.96Å; D519-S522 PolarHBondContact O-OG 3.5Å; D519-S522 PolarHBondContact OD1-N 3.39Å; D519-K525 WeakPolarHBondContact OD2-CE 3.45Å; D519-K525 IonicContact OD2-NZ 2.81Å; D519-K525 PolarHBondContact OD2-NZ 3.39Å; D519-P653 HydrophobicContact CB-CB 3.8Å; D519-P653 HydrophobicContact CB-CG 3.88Å
520	P	92.5	Very high	90.7	Very high	8 Å²	8	30.9 Å²	30.9	5%	0.052	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.2	175.3	-24.1	34.9	0	0	0	114.5	R460 L512 F517	R460-P520 HydrophobicContact CB-CB 4.28Å; L512-P520 HydrophobicContact CD1-CG 4.01Å; L512-P520 HydrophobicContact CD2-CG 4.19Å; F517-P520 HydrophobicContact CB-CG 4.35Å
521	Y	92.5	Very high	90.6	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-7.4	-171.8	-66.4	-93.4	0	0	0	113.3	R460 D519 K523 I524 K525 W567 L655 N656	R460-Y521 PolarHBondContact NE-OH 2.98Å; R460-Y521 VanDerWaalsContact NE-OH 3.12Å; D519-Y521 PolarHBondContact O-N 3.4Å; D519-Y521 VanDerWaalsContact O-N 3.15Å; D519-Y521 WeakPolarHBondContact OD1-CA 3.47Å; D519-Y521 PolarHBondContact OD1-N 3.25Å; Y521-K523 VanDerWaalsContact C-N 3.33Å; Y521-K523 PolarHBondContact O-N 2.95Å; Y521-K523 VanDerWaalsContact O-N 3.13Å; Y521-I524 HydrophobicContact CD1-CD1 4.14Å; Y521-I524 WeakPolarHBondContact O-CA 3.45Å; Y521-I524 WeakPolarHBondContact O-CB 3.23Å; Y521-I524 PolarHBondContact O-N 3.05Å; Y521-K525 PolarHBondContact O-N 2.63Å; Y521-W567 HydrophobicContact CD1-CB 4.01Å; Y521-W567 HydrophobicContact CD1-CG 4.36Å; Y521-W567 HydrophobicContact CE1-CB 3.53Å; Y521-W567 HydrophobicContact CE1-CG 4.23Å; Y521-L655 WeakPolarHBondContact CB-O 3.38Å; Y521-L655 WeakPolarHBondContact CD2-O 3.49Å; Y521-L655 HydrophobicContact CE1-CD2 4.43Å; Y521-L655 HydrophobicContact CE2-CD2 3.77Å; Y521-L655 WeakPolarHBondContact OH-CD2 3.43Å; Y521-N656 HydrophobicContact CD1-CB 4.35Å
522	S	90.7	Very high	90.7	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-37.8	-52.9	178.5	48.9	0	0	0	0	115.1	D519 K525 E526	D519-S522 PolarHBondContact O-N 2.96Å; D519-S522 PolarHBondContact O-OG 3.5Å; D519-S522 PolarHBondContact OD1-N 3.39Å; S522-K525 PolarHBondContact O-N 2.68Å; S522-E526 PolarHBondContact O-N 2.89Å
523	K	88.3	Confident	90.7	Very high	90 Å²	90	33.1 Å²	33.1	39%	0.391	16%	0.156	S	C	.	.	H	α-helix	trans	-69.2	-32.2	179.5	-65.3	-177.8	-179	174.7	0	114	A463 P466 Y521 R527	A463-K523 PolarHBondContact O-NZ 3.39Å; P466-K523 VanDerWaalsContact CG-NZ 3.25Å; Y521-K523 VanDerWaalsContact C-N 3.33Å; Y521-K523 PolarHBondContact O-N 2.95Å; Y521-K523 VanDerWaalsContact O-N 3.13Å; K523-R527 WeakPolarHBondContact O-CB 3.26Å; K523-R527 PolarHBondContact O-N 2.85Å; K523-R527 VanDerWaalsContact O-N 3.16Å
524	I	89.1	Confident	90.9	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.195	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-49.2	176	-64.4	173.1	0	0	0	108.2	R460 Y521 E526 R527 E528 W567	R460-I524 HydrophobicContact CG-CD1 4.48Å; Y521-I524 HydrophobicContact CD1-CD1 4.14Å; Y521-I524 WeakPolarHBondContact O-CA 3.45Å; Y521-I524 WeakPolarHBondContact O-CB 3.23Å; Y521-I524 PolarHBondContact O-N 3.05Å; I524-E526 PolarHBondContact O-N 2.88Å; I524-R527 PolarHBondContact O-N 3.23Å; I524-E528 HydrophobicContact CG2-CG 4.29Å; I524-E528 WeakPolarHBondContact CG2-OE1 3.28Å; I524-E528 WeakPolarHBondContact O-CB 3.38Å; I524-E528 WeakPolarHBondContact O-CG 3.41Å; I524-E528 PolarHBondContact O-N 3.4Å; I524-W567 HydrophobicContact CD1-CD2 4.34Å; I524-W567 HydrophobicContact CD1-CE3 4.4Å; I524-W567 HydrophobicContact CD1-CH2 4.36Å; I524-W567 HydrophobicContact CD1-CZ2 4.3Å; I524-W567 HydrophobicContact CD1-CZ3 4.4Å; I524-W567 HydrophobicContact CG2-CD2 4.39Å; I524-W567 HydrophobicContact CG2-CZ2 3.82Å
525	K	92.8	Very high	91.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-49.4	176	-67.2	-170	-73.5	168.9	0	111.9	D519 Y521 S522 R527 E528 N529 S623 N656 D657 E662	D519-K525 WeakPolarHBondContact OD2-CE 3.45Å; D519-K525 IonicContact OD2-NZ 2.81Å; D519-K525 PolarHBondContact OD2-NZ 3.39Å; Y521-K525 PolarHBondContact O-N 2.63Å; S522-K525 PolarHBondContact O-N 2.68Å; K525-R527 PolarHBondContact O-N 2.68Å; K525-E528 PolarHBondContact O-N 3.3Å; K525-N529 WeakPolarHBondContact O-CB 3.46Å; K525-N529 PolarHBondContact O-N 2.61Å; K525-N529 PolarHBondContact O-ND2 3.34Å; K525-N529 VanDerWaalsContact O-ND2 3.12Å; K525-S623 WeakPolarHBondContact CD-OG 3.33Å; K525-N656 HydrophobicContact CG-CB 4.16Å; K525-D657 WeakPolarHBondContact CD-O 3.44Å; K525-E662 VanDerWaalsContact CE-OE1 3.24Å; K525-E662 WeakPolarHBondContact CE-OE1 3.38Å; K525-E662 VanDerWaalsContact NZ-CD 3.27Å; K525-E662 IonicContact NZ-OE1 3.13Å; K525-E662 PolarHBondContact NZ-OE1 2.92Å; K525-E662 IonicContact NZ-OE2 3.65Å; K525-E662 PolarHBondContact NZ-OE2 2.89Å
526	E	90.4	Very high	91.3	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	19%	0.185	C	C	.	.	H	α-helix	trans	-54.9	-51	177.3	-175.3	-175.2	-147.2	0	0	111.5	Y77 I79 S522 I524 E528 N529 D530	Y77-E526 HydrophobicContact CE2-CB 4.18Å; Y77-E526 HydrophobicContact CE2-CG 4.19Å; I79-E526 HydrophobicContact CD1-CB 4.29Å; S522-E526 PolarHBondContact O-N 2.89Å; I524-E526 PolarHBondContact O-N 2.88Å; E526-E528 PolarHBondContact O-N 2.87Å; E526-N529 PolarHBondContact O-N 3.47Å; E526-D530 PolarHBondContact O-N 3.18Å
527	R	89.3	Confident	91.6	Very high	167 Å²	167	43.7 Å²	43.7	63%	0.63	20%	0.195	S	C	*	.	H	α-helix	trans	-62.7	-45.1	179.8	-179.6	-177.6	175.2	-166.1	-3.4	112.5	K523 I524 K525 D530 I531	K523-R527 WeakPolarHBondContact O-CB 3.26Å; K523-R527 PolarHBondContact O-N 2.85Å; K523-R527 VanDerWaalsContact O-N 3.16Å; I524-R527 PolarHBondContact O-N 3.23Å; K525-R527 PolarHBondContact O-N 2.68Å; R527-D530 PolarHBondContact O-N 2.95Å; R527-I531 HydrophobicContact CG-CD1 3.99Å; R527-I531 VanDerWaalsContact O-CG1 3.29Å; R527-I531 WeakPolarHBondContact O-CG1 3.45Å; R527-I531 PolarHBondContact O-N 3.42Å; R527-I531 VanDerWaalsContact O-N 3.09Å
528	E	91	Very high	91.7	Very high	29 Å²	29	51 Å²	51	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-39.4	-179.2	-72	179.3	173.2	0	0	111.4	I524 K525 E526 I531 A532 W567	I524-E528 HydrophobicContact CG2-CG 4.29Å; I524-E528 WeakPolarHBondContact CG2-OE1 3.28Å; I524-E528 WeakPolarHBondContact O-CB 3.38Å; I524-E528 WeakPolarHBondContact O-CG 3.41Å; I524-E528 PolarHBondContact O-N 3.4Å; K525-E528 PolarHBondContact O-N 3.3Å; E526-E528 PolarHBondContact O-N 2.87Å; E528-I531 PolarHBondContact O-N 2.87Å; E528-A532 VanDerWaalsContact O-CB 3.29Å; E528-A532 WeakPolarHBondContact O-CB 3.21Å; E528-A532 PolarHBondContact O-N 3.44Å; E528-W567 PolarHBondContact OE1-NE1 2.81Å
529	N	94.1	Very high	91.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-49.8	173.2	-75	-25.8	0	0	0	111.4	L76 Y77 K525 E526 I531 A532 L533 G624 I628 L666	L76-N529 HydrophobicContact CD2-CB 3.58Å; Y77-N529 PolarHBondContact OH-ND2 3.03Å; K525-N529 WeakPolarHBondContact O-CB 3.46Å; K525-N529 PolarHBondContact O-N 2.61Å; K525-N529 PolarHBondContact O-ND2 3.34Å; K525-N529 VanDerWaalsContact O-ND2 3.12Å; E526-N529 PolarHBondContact O-N 3.47Å; N529-I531 VanDerWaalsContact C-N 3.31Å; N529-I531 PolarHBondContact O-N 2.89Å; N529-A532 PolarHBondContact O-N 2.91Å; N529-L533 WeakPolarHBondContact O-CB 3.31Å; N529-L533 WeakPolarHBondContact O-CG 3.45Å; N529-L533 PolarHBondContact O-N 3.48Å; N529-G624 VanDerWaalsContact OD1-CA 3.31Å; N529-G624 WeakPolarHBondContact OD1-CA 3.42Å; N529-G624 PolarHBondContact OD1-N 3.31Å; N529-I628 HydrophobicContact CB-CD1 4.17Å; N529-L666 HydrophobicContact CB-CD2 3.91Å
530	D	90.8	Very high	92	Very high	39 Å²	39	51.5 Å²	51.5	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-40.3	178.8	-89.4	-29.8	0	0	0	113.1	L76 E526 R527 K534	L76-D530 VanDerWaalsContact CB-OD1 3.28Å; L76-D530 WeakPolarHBondContact CB-OD1 3.38Å; E526-D530 PolarHBondContact O-N 3.18Å; R527-D530 PolarHBondContact O-N 2.95Å; D530-K534 WeakPolarHBondContact O-CG 3.31Å
531	I	89.1	Confident	92.2	Very high	74 Å²	74	56.7 Å²	56.7	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-68.4	-48	177.4	-68.6	168.6	0	0	0	109.9	R527 E528 N529 L533 K534 Y535	R527-I531 HydrophobicContact CG-CD1 3.99Å; R527-I531 VanDerWaalsContact O-CG1 3.29Å; R527-I531 WeakPolarHBondContact O-CG1 3.45Å; R527-I531 PolarHBondContact O-N 3.42Å; R527-I531 VanDerWaalsContact O-N 3.09Å; E528-I531 PolarHBondContact O-N 2.87Å; N529-I531 VanDerWaalsContact C-N 3.31Å; N529-I531 PolarHBondContact O-N 2.89Å; I531-L533 PolarHBondContact O-N 3.1Å; I531-K534 WeakPolarHBondContact O-CB 3.44Å; I531-K534 PolarHBondContact O-N 3.46Å; I531-Y535 HydrophobicContact CG2-CD2 4.38Å; I531-Y535 HydrophobicContact CG2-CE2 4.07Å; I531-Y535 WeakPolarHBondContact O-CD2 3.35Å
532	A	92.6	Very high	92.3	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-39.8	-176	0	0	0	0	0	112.4	E528 N529 K534 Y535 Y536 V625 I628 L629	E528-A532 VanDerWaalsContact O-CB 3.29Å; E528-A532 WeakPolarHBondContact O-CB 3.21Å; E528-A532 PolarHBondContact O-N 3.44Å; N529-A532 PolarHBondContact O-N 2.91Å; A532-K534 VanDerWaalsContact C-N 3.26Å; A532-K534 PolarHBondContact O-N 2.81Å; A532-Y535 PolarHBondContact O-N 3.08Å; A532-Y536 PolarHBondContact O-N 3.29Å; A532-V625 HydrophobicContact CB-CG2 4.33Å; A532-I628 HydrophobicContact CB-CB 3.9Å; A532-I628 HydrophobicContact CB-CD1 3.69Å; A532-I628 HydrophobicContact CB-CG1 4.42Å; A532-I628 HydrophobicContact CB-CG2 4Å; A532-L629 HydrophobicContact CB-CD1 4.31Å; A532-L629 HydrophobicContact CB-CG 4.23Å
533	L	93.6	Very high	92.5	Very high	19 Å²	19	60.2 Å²	60.2	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-38.2	176.7	-77.2	170.8	0	0	0	112.6	L76 N529 I531 Y535 Y536 I628 L666 R669 I670	L76-L533 HydrophobicContact CD1-CD1 3.45Å; L76-L533 VanDerWaalsContact CD1-CD1 3.45Å; L76-L533 HydrophobicContact CD2-CD1 3.85Å; L76-L533 HydrophobicContact CG-CD1 4.32Å; N529-L533 WeakPolarHBondContact O-CB 3.31Å; N529-L533 WeakPolarHBondContact O-CG 3.45Å; N529-L533 PolarHBondContact O-N 3.48Å; I531-L533 PolarHBondContact O-N 3.1Å; L533-Y535 PolarHBondContact O-N 3.39Å; L533-Y535 VanDerWaalsContact O-N 3.17Å; L533-Y536 WeakPolarHBondContact O-CB 3.41Å; L533-Y536 PolarHBondContact O-N 2.88Å; L533-I628 HydrophobicContact CD2-CD1 4.28Å; L533-I628 HydrophobicContact CD2-CG1 4.34Å; L533-I628 HydrophobicContact CD2-CG2 4.19Å; L533-I628 HydrophobicContact CG-CD1 3.93Å; L533-L666 HydrophobicContact CD1-CD2 4.16Å; L533-R669 HydrophobicContact CD1-CB 4.39Å; L533-R669 HydrophobicContact CD2-CB 4.3Å; L533-I670 HydrophobicContact CD2-CD1 4.33Å; L533-I670 HydrophobicContact CD2-CG1 3.75Å
534	K	92.1	Very high	92.7	Very high	166 Å²	166	60.4 Å²	60.4	72%	0.722	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-22.1	178.2	-68.1	169.1	-174.4	175.2	0	113.5	D530 I531 A532	D530-K534 WeakPolarHBondContact O-CG 3.31Å; I531-K534 WeakPolarHBondContact O-CB 3.44Å; I531-K534 PolarHBondContact O-N 3.46Å; A532-K534 VanDerWaalsContact C-N 3.26Å; A532-K534 PolarHBondContact O-N 2.81Å
535	Y	92.4	Very high	93.1	Very high	131 Å²	131	66.5 Å²	66.5	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-102.2	-7.9	-179.4	-68.6	-75.2	0	0	0	113.8	I531 A532 L533 E537 K538 A539	I531-Y535 HydrophobicContact CG2-CD2 4.38Å; I531-Y535 HydrophobicContact CG2-CE2 4.07Å; I531-Y535 WeakPolarHBondContact O-CD2 3.35Å; A532-Y535 PolarHBondContact O-N 3.08Å; L533-Y535 PolarHBondContact O-N 3.39Å; L533-Y535 VanDerWaalsContact O-N 3.17Å; Y535-E537 PolarHBondContact O-N 2.89Å; Y535-K538 PolarHBondContact O-N 2.83Å; Y535-A539 PolarHBondContact O-N 3.06Å
536	Y	94.9	Very high	93.2	Very high	1 Å²	1	69.9 Å²	69.9	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-55.2	-172.6	-178.3	-92.3	0	0	0	113.2	A532 L533 K538 A539 V540 I628 L629 M632 P633 I670 M673 D674	A532-Y536 PolarHBondContact O-N 3.29Å; L533-Y536 WeakPolarHBondContact O-CB 3.41Å; L533-Y536 PolarHBondContact O-N 2.88Å; Y536-K538 PolarHBondContact O-N 3.03Å; Y536-A539 WeakPolarHBondContact O-CB 3.48Å; Y536-A539 PolarHBondContact O-N 3.16Å; Y536-V540 HydrophobicContact CD1-CG2 4.14Å; Y536-V540 HydrophobicContact CE1-CG2 3.61Å; Y536-V540 HydrophobicContact CE2-CG2 4.14Å; Y536-V540 PolarHBondContact O-N 2.71Å; Y536-I628 HydrophobicContact CD2-CG2 3.81Å; Y536-I628 WeakPolarHBondContact CD2-O 3.47Å; Y536-I628 VanDerWaalsContact CE2-O 3.32Å; Y536-I628 WeakPolarHBondContact CE2-O 3.35Å; Y536-I628 HydrophobicContact CG-CG2 4.41Å; Y536-L629 HydrophobicContact CD2-CD2 4.48Å; Y536-M632 HydrophobicContact CE2-CB 3.91Å; Y536-P633 HydrophobicContact CE2-CG 4.12Å; Y536-I670 HydrophobicContact CD1-CG2 4.37Å; Y536-I670 HydrophobicContact CD2-CD1 4.41Å; Y536-I670 HydrophobicContact CD2-CG1 4.47Å; Y536-I670 HydrophobicContact CE1-CG2 3.7Å; Y536-I670 HydrophobicContact CE2-CD1 4.26Å; Y536-I670 HydrophobicContact CE2-CG1 4.46Å; Y536-I670 HydrophobicContact CE2-CG2 3.99Å; Y536-I670 VanDerWaalsContact CZ-CG2 3.45Å; Y536-I670 WeakPolarHBondContact OH-CG2 3.45Å; Y536-M673 HydrophobicContact CD1-CE 3.73Å; Y536-M673 HydrophobicContact CG-CE 4.07Å; Y536-D674 HydrophobicContact CE1-CB 3.98Å; Y536-D674 PolarHBondContact OH-OD2 3.42Å
537	E	94.8	Very high	93.6	Very high	96 Å²	96	71.2 Å²	71.2	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-37.8	-177.9	-66.5	-172.1	114.9	0	0	112.4	Y535 K541 M673	Y535-E537 PolarHBondContact O-N 2.89Å; E537-K541 WeakPolarHBondContact O-CB 2.85Å; E537-K541 VanDerWaalsContact O-CG 3.28Å; E537-K541 WeakPolarHBondContact O-CG 3.37Å; E537-K541 PolarHBondContact O-N 2.94Å; E537-M673 HydrophobicContact CG-CB 4.11Å; E537-M673 HydrophobicContact CG-CE 4.21Å; E537-M673 HydrophobicContact CG-SD 4.39Å
538	K	93.5	Very high	93.9	Very high	153 Å²	153	67.1 Å²	67.1	67%	0.665	32%	0.322	S	S	*	.	H	α-helix	trans	-66.6	-42.2	177.5	-175.6	-177.8	176.6	-175	0	110.7	Y535 Y536 S542	Y535-K538 PolarHBondContact O-N 2.83Å; Y536-K538 PolarHBondContact O-N 3.03Å; K538-S542 PolarHBondContact O-N 3.14Å; K538-S542 PolarHBondContact O-OG 2.62Å
539	A	93	Very high	94.1	Very high	18 Å²	18	70.7 Å²	70.7	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-47.5	177.5	0	0	0	0	0	111.2	Y535 Y536 K541 S542 L543 L629	Y535-A539 PolarHBondContact O-N 3.06Å; Y536-A539 WeakPolarHBondContact O-CB 3.48Å; Y536-A539 PolarHBondContact O-N 3.16Å; A539-K541 PolarHBondContact O-N 3.38Å; A539-S542 PolarHBondContact O-N 3.3Å; A539-S542 PolarHBondContact O-OG 2.94Å; A539-L543 WeakPolarHBondContact O-CG 3.16Å; A539-L543 PolarHBondContact O-N 3.07Å; A539-L543 VanDerWaalsContact O-N 3.12Å; A539-L629 HydrophobicContact CB-CD2 4.07Å
540	V	95.6	Very high	94.2	Very high	10 Å²	10	75.1 Å²	75.1	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-47.9	177.5	175.1	0	0	0	0	111.5	Y536 S542 L543 E544	Y536-V540 HydrophobicContact CD1-CG2 4.14Å; Y536-V540 HydrophobicContact CE1-CG2 3.61Å; Y536-V540 HydrophobicContact CE2-CG2 4.14Å; Y536-V540 PolarHBondContact O-N 2.71Å; V540-S542 VanDerWaalsContact C-N 3.3Å; V540-S542 PolarHBondContact O-N 2.98Å; V540-L543 WeakPolarHBondContact O-CB 3.39Å; V540-L543 PolarHBondContact O-N 2.93Å; V540-E544 WeakPolarHBondContact O-CG 3.43Å; V540-E544 PolarHBondContact O-N 2.86Å; V540-E544 VanDerWaalsContact O-N 3.09Å
541	K	95	Very high	94.5	Very high	117 Å²	117	76 Å²	76	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-56.6	-43.6	176.9	-75.2	169.8	-176.2	165.1	0	112.2	E537 A539 L543 E544 E545	E537-K541 WeakPolarHBondContact O-CB 2.85Å; E537-K541 VanDerWaalsContact O-CG 3.28Å; E537-K541 WeakPolarHBondContact O-CG 3.37Å; E537-K541 PolarHBondContact O-N 2.94Å; A539-K541 PolarHBondContact O-N 3.38Å; K541-L543 VanDerWaalsContact C-N 3.27Å; K541-L543 PolarHBondContact O-N 3.21Å; K541-E544 PolarHBondContact O-N 3.5Å; K541-E545 PolarHBondContact O-N 3.5Å
542	S	94.3	Very high	94.9	Very high	59 Å²	59	72.7 Å²	72.7	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-30.6	178.2	71	0	0	0	0	113.4	K538 A539 V540	K538-S542 PolarHBondContact O-N 3.14Å; K538-S542 PolarHBondContact O-OG 2.62Å; A539-S542 PolarHBondContact O-N 3.3Å; A539-S542 PolarHBondContact O-OG 2.94Å; V540-S542 VanDerWaalsContact C-N 3.3Å; V540-S542 PolarHBondContact O-N 2.98Å
543	L	95.3	Very high	95.1	Very high	25 Å²	25	75.8 Å²	75.8	13%	0.131	36%	0.359	C	S	.	.	H	α-helix	trans	-74.2	-31.7	176	-70.1	165	0	0	0	112.1	A539 V540 K541 E545 L546 R551 A554 L555 P633	A539-L543 WeakPolarHBondContact O-CG 3.16Å; A539-L543 PolarHBondContact O-N 3.07Å; A539-L543 VanDerWaalsContact O-N 3.12Å; V540-L543 WeakPolarHBondContact O-CB 3.39Å; V540-L543 PolarHBondContact O-N 2.93Å; K541-L543 VanDerWaalsContact C-N 3.27Å; K541-L543 PolarHBondContact O-N 3.21Å; L543-E545 VanDerWaalsContact C-N 3.31Å; L543-L546 HydrophobicContact CD2-CD1 4.32Å; L543-L546 PolarHBondContact O-N 3.44Å; L543-R551 HydrophobicContact CB-CG 4.4Å; L543-R551 WeakPolarHBondContact O-CD 3.47Å; L543-R551 WeakPolarHBondContact O-CG 3.18Å; L543-A554 HydrophobicContact CD2-CB 3.59Å; L543-L555 HydrophobicContact CD1-CD2 3.73Å; L543-L555 HydrophobicContact CD2-CD2 4.35Å; L543-L555 HydrophobicContact CD2-CG 4.42Å; L543-P633 HydrophobicContact CD1-CB 3.78Å
544	E	93.7	Very high	95.2	Very high	94 Å²	94	76.2 Å²	76.2	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-72.6	-23.6	178.5	-69.1	-178.3	152.9	0	0	113.5	V540 K541 L546 R636	V540-E544 WeakPolarHBondContact O-CG 3.43Å; V540-E544 PolarHBondContact O-N 2.86Å; V540-E544 VanDerWaalsContact O-N 3.09Å; K541-E544 PolarHBondContact O-N 3.5Å; E544-L546 VanDerWaalsContact C-N 3.26Å; E544-L546 PolarHBondContact O-N 2.9Å; E544-R636 IonicContact OE1-CZ 2.7Å; E544-R636 IonicContact OE1-NH1 3.37Å; E544-R636 PolarHBondContact OE1-NH1 3.34Å; E544-R636 IonicContact OE1-NH2 3.09Å; E544-R636 PolarHBondContact OE1-NH2 2.74Å
545	E	95.9	Very high	95.5	Very high	166 Å²	166	68.5 Å²	68.5	78%	0.776	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-14.2	175.6	-69.2	174.7	179.4	0	0	113.1	K541 L543	K541-E545 PolarHBondContact O-N 3.5Å; L543-E545 VanDerWaalsContact C-N 3.31Å
546	L	96.8	Very high	95.7	Very high	71 Å²	71	62.3 Å²	62.3	37%	0.372	31%	0.307	S	S	.	.	S	Bend	trans	-82.8	157.4	-178.1	-62.4	176.3	0	0	0	112.6	L543 E544 D550 R551 A554	L543-L546 HydrophobicContact CD2-CD1 4.32Å; L543-L546 PolarHBondContact O-N 3.44Å; E544-L546 VanDerWaalsContact C-N 3.26Å; E544-L546 PolarHBondContact O-N 2.9Å; L546-D550 HydrophobicContact CB-CB 4.19Å; L546-R551 HydrophobicContact CB-CB 4.1Å; L546-A554 HydrophobicContact CD1-CB 3.66Å
547	S	97.1	Very high	95.7	Very high	59 Å²	59	63.9 Å²	63.9	41%	0.413	31%	0.313	S	S	.	.			trans	-62.1	158.8	166.5	83.2	0	0	0	0	110.5	E549 D550 R551	S547-E549 VanDerWaalsContact C-N 3.32Å; S547-E549 PolarHBondContact O-N 3.16Å; S547-D550 WeakPolarHBondContact CB-OD2 3.31Å; S547-D550 PolarHBondContact O-N 2.87Å; S547-D550 WeakPolarHBondContact OG-CB 3.2Å; S547-D550 PolarHBondContact OG-N 3.44Å; S547-D550 PolarHBondContact OG-OD2 3.09Å; S547-R551 WeakPolarHBondContact O-CB 3.49Å; S547-R551 PolarHBondContact O-N 3.43Å
548	W	95.9	Very high	95.7	Very high	82 Å²	82	59.5 Å²	59.5	31%	0.311	29%	0.294	S	S	.	.	H	α-helix	trans	-58.1	-43.3	-177.9	179.4	81.9	0	0	0	112.7	R551 Q552 L605 L608 K609	W548-R551 PolarHBondContact O-N 3.41Å; W548-Q552 HydrophobicContact CD2-CG 4.25Å; W548-Q552 HydrophobicContact CE3-CG 4.46Å; W548-Q552 HydrophobicContact CH2-CG 4.19Å; W548-Q552 HydrophobicContact CZ2-CG 3.95Å; W548-Q552 HydrophobicContact CZ3-CG 4.44Å; W548-Q552 VanDerWaalsContact O-CG 3.3Å; W548-Q552 WeakPolarHBondContact O-CG 3.34Å; W548-Q552 PolarHBondContact O-N 2.74Å; W548-Q552 PolarHBondContact O-NE2 2.85Å; W548-L605 HydrophobicContact CH2-CD1 3.95Å; W548-L605 HydrophobicContact CZ3-CD1 3.78Å; W548-L608 HydrophobicContact CH2-CB 4.01Å; W548-L608 HydrophobicContact CZ2-CB 3.99Å; W548-K609 HydrophobicContact CH2-CG 3.74Å; W548-K609 HydrophobicContact CZ3-CG 3.91Å
549	E	95.6	Very high	95.9	Very high	104 Å²	104	52.3 Å²	52.3	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-46.4	179.3	-65	-174.7	162.6	0	0	111.5	S547 R551 Q552 F553	S547-E549 VanDerWaalsContact C-N 3.32Å; S547-E549 PolarHBondContact O-N 3.16Å; E549-R551 VanDerWaalsContact C-N 3.26Å; E549-R551 PolarHBondContact O-N 3.21Å; E549-Q552 PolarHBondContact O-N 3.47Å; E549-F553 PolarHBondContact O-N 3.39Å
550	D	96.5	Very high	96	Very high	93 Å²	93	51.5 Å²	51.5	50%	0.497	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-36.5	177.1	-65.3	-42.6	0	0	0	111.4	L546 S547 F553 A554	L546-D550 HydrophobicContact CB-CB 4.19Å; S547-D550 WeakPolarHBondContact CB-OD2 3.31Å; S547-D550 PolarHBondContact O-N 2.87Å; S547-D550 WeakPolarHBondContact OG-CB 3.2Å; S547-D550 PolarHBondContact OG-N 3.44Å; S547-D550 PolarHBondContact OG-OD2 3.09Å; D550-F553 PolarHBondContact O-N 3.46Å; D550-A554 VanDerWaalsContact O-CB 3.3Å; D550-A554 WeakPolarHBondContact O-CB 3.48Å; D550-A554 PolarHBondContact O-N 2.93Å
551	R	97.4	Very high	95.8	Very high	56 Å²	56	51 Å²	51	21%	0.211	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.9	-172.5	175.3	72.8	-165.6	7	111.4	L543 L546 S547 W548 E549 F553 A554 L555 E637	L543-R551 HydrophobicContact CB-CG 4.4Å; L543-R551 WeakPolarHBondContact O-CD 3.47Å; L543-R551 WeakPolarHBondContact O-CG 3.18Å; L546-R551 HydrophobicContact CB-CB 4.1Å; S547-R551 WeakPolarHBondContact O-CB 3.49Å; S547-R551 PolarHBondContact O-N 3.43Å; W548-R551 PolarHBondContact O-N 3.41Å; E549-R551 VanDerWaalsContact C-N 3.26Å; E549-R551 PolarHBondContact O-N 3.21Å; R551-F553 VanDerWaalsContact C-N 3.27Å; R551-F553 PolarHBondContact O-N 3.05Å; R551-A554 PolarHBondContact O-N 3.04Å; R551-L555 HydrophobicContact CG-CD1 4.12Å; R551-L555 HydrophobicContact CG-CG 4.4Å; R551-L555 WeakPolarHBondContact O-CB 3.49Å; R551-L555 WeakPolarHBondContact O-CG 3.47Å; R551-L555 PolarHBondContact O-N 2.85Å; R551-E637 IonicContact CZ-OE1 2.81Å; R551-E637 IonicContact CZ-OE2 3.34Å; R551-E637 VanDerWaalsContact CZ-OE2 3.26Å; R551-E637 IonicContact NE-OE1 3.98Å; R551-E637 PolarHBondContact NE-OE1 2.8Å; R551-E637 IonicContact NE-OE2 3.8Å; R551-E637 PolarHBondContact NE-OE2 3.25Å; R551-E637 VanDerWaalsContact NE-OE2 3.11Å; R551-E637 VanDerWaalsContact NH2-CD 3.34Å; R551-E637 IonicContact NH2-OE1 2.81Å; R551-E637 PolarHBondContact NH2-OE1 2.83Å; R551-E637 IonicContact NH2-OE2 3.78Å; R551-E637 PolarHBondContact NH2-OE2 2.99Å; R551-E637 VanDerWaalsContact NH2-OE2 3.09Å
552	Q	97.7	Very high	95.6	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-42.3	176.7	-61.2	-36.7	-63.7	0	0	111.3	W548 E549 V556 F601 L605 L608 E637	W548-Q552 HydrophobicContact CD2-CG 4.25Å; W548-Q552 HydrophobicContact CE3-CG 4.46Å; W548-Q552 HydrophobicContact CH2-CG 4.19Å; W548-Q552 HydrophobicContact CZ2-CG 3.95Å; W548-Q552 HydrophobicContact CZ3-CG 4.44Å; W548-Q552 VanDerWaalsContact O-CG 3.3Å; W548-Q552 WeakPolarHBondContact O-CG 3.34Å; W548-Q552 PolarHBondContact O-N 2.74Å; W548-Q552 PolarHBondContact O-NE2 2.85Å; E549-Q552 PolarHBondContact O-N 3.47Å; Q552-V556 WeakPolarHBondContact O-CG2 2.95Å; Q552-V556 PolarHBondContact O-N 2.57Å; Q552-F601 HydrophobicContact CB-CZ 4.45Å; Q552-L605 HydrophobicContact CB-CD1 3.78Å; Q552-L605 HydrophobicContact CG-CD1 3.74Å; Q552-L608 HydrophobicContact CG-CD1 4.11Å; Q552-E637 PolarHBondContact NE2-OE1 2.95Å
553	F	96.4	Very high	95.5	Very high	67 Å²	67	42.7 Å²	42.7	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-67.5	-43.2	177.7	-173.8	-118.2	0	0	0	112.2	E549 D550 R551 L555 V556 R557 R594 W596 F601	E549-F553 PolarHBondContact O-N 3.39Å; D550-F553 PolarHBondContact O-N 3.46Å; R551-F553 VanDerWaalsContact C-N 3.27Å; R551-F553 PolarHBondContact O-N 3.05Å; F553-L555 VanDerWaalsContact C-N 3.32Å; F553-L555 PolarHBondContact O-N 2.75Å; F553-V556 PolarHBondContact O-N 2.94Å; F553-R557 HydrophobicContact CD1-CG 4.25Å; F553-R557 HydrophobicContact CD2-CG 4.43Å; F553-R557 HydrophobicContact CE1-CG 3.86Å; F553-R557 HydrophobicContact CE2-CG 4.02Å; F553-R557 HydrophobicContact CZ-CG 3.74Å; F553-R557 WeakPolarHBondContact O-CB 3.21Å; F553-R557 WeakPolarHBondContact O-CG 3.22Å; F553-R557 PolarHBondContact O-N 2.88Å; F553-R594 HydrophobicContact CE2-CG 4.25Å; F553-R594 HydrophobicContact CZ-CG 4.37Å; F553-W596 HydrophobicContact CD2-CH2 4.39Å; F553-W596 AromaticContact CE2-CH2 3.69Å; F553-W596 HydrophobicContact CE2-CH2 3.69Å; F553-W596 AromaticContact CE2-CZ2 3.65Å; F553-W596 HydrophobicContact CE2-CZ2 3.65Å; F553-W596 HydrophobicContact CZ-CZ2 4.13Å; F553-F601 HydrophobicContact CB-CE1 4.21Å; F553-F601 HydrophobicContact CB-CE2 4.28Å; F553-F601 HydrophobicContact CB-CZ 3.62Å; F553-F601 HydrophobicContact CD2-CD1 4.25Å; F553-F601 HydrophobicContact CD2-CD2 4.25Å; F553-F601 AromaticContact CD2-CE1 3.85Å; F553-F601 HydrophobicContact CD2-CE1 3.85Å; F553-F601 AromaticContact CD2-CE2 3.88Å; F553-F601 HydrophobicContact CD2-CE2 3.88Å; F553-F601 HydrophobicContact CD2-CG 4.43Å; F553-F601 AromaticContact CD2-CZ 3.67Å; F553-F601 HydrophobicContact CD2-CZ 3.67Å; F553-F601 HydrophobicContact CG-CE1 4.43Å; F553-F601 HydrophobicContact CG-CZ 4.12Å
554	A	96	Very high	95.1	Very high	27 Å²	27	41.6 Å²	41.6	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-36.7	177.4	0	0	0	0	0	112.7	L543 L546 D550 R551 G558	L543-A554 HydrophobicContact CD2-CB 3.59Å; L546-A554 HydrophobicContact CD1-CB 3.66Å; D550-A554 VanDerWaalsContact O-CB 3.3Å; D550-A554 WeakPolarHBondContact O-CB 3.48Å; D550-A554 PolarHBondContact O-N 2.93Å; R551-A554 PolarHBondContact O-N 3.04Å; A554-G558 PolarHBondContact O-N 2.76Å
555	L	97.4	Very high	94.6	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-48.3	174.5	-73.4	168.4	0	0	0	111.6	L543 R551 F553 G558 V559 P633 F634 E637	L543-L555 HydrophobicContact CD1-CD2 3.73Å; L543-L555 HydrophobicContact CD2-CD2 4.35Å; L543-L555 HydrophobicContact CD2-CG 4.42Å; R551-L555 HydrophobicContact CG-CD1 4.12Å; R551-L555 HydrophobicContact CG-CG 4.4Å; R551-L555 WeakPolarHBondContact O-CB 3.49Å; R551-L555 WeakPolarHBondContact O-CG 3.47Å; R551-L555 PolarHBondContact O-N 2.85Å; F553-L555 VanDerWaalsContact C-N 3.32Å; F553-L555 PolarHBondContact O-N 2.75Å; L555-G558 WeakPolarHBondContact O-CA 3.37Å; L555-G558 PolarHBondContact O-N 3.12Å; L555-G558 VanDerWaalsContact O-N 3.1Å; L555-V559 PolarHBondContact O-N 3.32Å; L555-P633 HydrophobicContact CD2-CB 3.77Å; L555-P633 WeakPolarHBondContact CD2-O 3.12Å; L555-F634 HydrophobicContact CB-CD2 4.11Å; L555-E637 HydrophobicContact CD1-CB 3.52Å; L555-E637 HydrophobicContact CD1-CG 3.57Å
556	V	97.2	Very high	94	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-45.8	176.2	168.9	0	0	0	0	111.2	Q552 F553 G558 V559 L560 W596 F601 F634 F764	Q552-V556 WeakPolarHBondContact O-CG2 2.95Å; Q552-V556 PolarHBondContact O-N 2.57Å; F553-V556 PolarHBondContact O-N 2.94Å; V556-G558 PolarHBondContact O-N 3.08Å; V556-V559 PolarHBondContact O-N 3.03Å; V556-L560 HydrophobicContact CG1-CD1 3.86Å; V556-L560 HydrophobicContact CG1-CG 4.49Å; V556-L560 WeakPolarHBondContact O-CG 3.04Å; V556-L560 PolarHBondContact O-N 2.97Å; V556-W596 HydrophobicContact CG1-CH2 3.65Å; V556-W596 HydrophobicContact CG1-CZ3 4.01Å; V556-F601 HydrophobicContact CB-CD2 4.32Å; V556-F601 HydrophobicContact CB-CE2 4.11Å; V556-F601 HydrophobicContact CG1-CD2 4.26Å; V556-F601 HydrophobicContact CG2-CD2 4.07Å; V556-F601 HydrophobicContact CG2-CE2 3.8Å; V556-F634 HydrophobicContact CG2-CE2 4.08Å; V556-F764 HydrophobicContact CB-CE2 4.08Å; V556-F764 HydrophobicContact CG1-CD2 3.4Å; V556-F764 VanDerWaalsContact CG1-CD2 3.4Å; V556-F764 HydrophobicContact CG1-CE2 3.26Å; V556-F764 HydrophobicContact CG1-CG 4.45Å; V556-F764 HydrophobicContact CG1-CZ 4.21Å; V556-F764 HydrophobicContact CG2-CE2 3.59Å; V556-F764 HydrophobicContact CG2-CZ 3.97Å
557	R	94.8	Very high	93.2	Very high	34 Å²	34	28.3 Å²	28.3	13%	0.128	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-34.7	173.7	-74.6	-74	-69.9	-154.9	-6.8	111.9	F553 A561 K588 L591 E592	F553-R557 HydrophobicContact CD1-CG 4.25Å; F553-R557 HydrophobicContact CD2-CG 4.43Å; F553-R557 HydrophobicContact CE1-CG 3.86Å; F553-R557 HydrophobicContact CE2-CG 4.02Å; F553-R557 HydrophobicContact CZ-CG 3.74Å; F553-R557 WeakPolarHBondContact O-CB 3.21Å; F553-R557 WeakPolarHBondContact O-CG 3.22Å; F553-R557 PolarHBondContact O-N 2.88Å; R557-A561 WeakPolarHBondContact O-CB 3.26Å; R557-A561 PolarHBondContact O-N 2.97Å; R557-K588 PolarHBondContact NH2-O 2.93Å; R557-L591 VanDerWaalsContact CZ-CB 3.45Å; R557-L591 VanDerWaalsContact NH1-CB 3.33Å; R557-L591 PolarHBondContact NH1-O 3.03Å; R557-L591 PolarHBondContact NH2-O 3.19Å; R557-E592 PolarHBondContact NH1-O 3.13Å
558	G	95.4	Very high	92	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-51	176.1	0	0	0	0	0	112	A554 L555 V556 A561 G562	A554-G558 PolarHBondContact O-N 2.76Å; L555-G558 WeakPolarHBondContact O-CA 3.37Å; L555-G558 PolarHBondContact O-N 3.12Å; L555-G558 VanDerWaalsContact O-N 3.1Å; V556-G558 PolarHBondContact O-N 3.08Å; G558-A561 PolarHBondContact O-N 3.26Å; G558-G562 PolarHBondContact O-N 3.27Å
559	V	96.5	Very high	91.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-51	175.5	178.5	0	0	0	0	110.7	L555 V556 A561 G562 N563 G630 F634 E722 M743	L555-V559 PolarHBondContact O-N 3.32Å; V556-V559 PolarHBondContact O-N 3.03Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 2.77Å; V559-G562 PolarHBondContact O-N 3.06Å; V559-N563 PolarHBondContact O-N 3.13Å; V559-G630 WeakPolarHBondContact CG2-O 3.2Å; V559-F634 HydrophobicContact CG2-CB 3.81Å; V559-F634 HydrophobicContact CG2-CD2 4.11Å; V559-F634 HydrophobicContact CG2-CG 4.1Å; V559-E722 HydrophobicContact CG1-CG 3.68Å; V559-M743 HydrophobicContact CB-CE 4.5Å; V559-M743 HydrophobicContact CG1-CE 3.81Å; V559-M743 HydrophobicContact CG1-SD 4.32Å
560	L	95.3	Very high	90.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-38.6	-179.7	-67.1	168.1	0	0	0	112.8	V556 N563 V564 L591 W596 M743 V745 V762	V556-L560 HydrophobicContact CG1-CD1 3.86Å; V556-L560 HydrophobicContact CG1-CG 4.49Å; V556-L560 WeakPolarHBondContact O-CG 3.04Å; V556-L560 PolarHBondContact O-N 2.97Å; L560-N563 PolarHBondContact O-N 2.74Å; L560-V564 PolarHBondContact O-N 3.15Å; L560-L591 HydrophobicContact CB-CD1 3.89Å; L560-L591 HydrophobicContact CB-CD2 4.21Å; L560-W596 HydrophobicContact CD1-CH2 3.85Å; L560-W596 HydrophobicContact CD1-CZ2 3.99Å; L560-W596 HydrophobicContact CD1-CZ3 4.24Å; L560-M743 HydrophobicContact CD2-CB 4.21Å; L560-V745 HydrophobicContact CB-CG2 4.1Å; L560-V745 HydrophobicContact CD2-CG2 4.21Å; L560-V745 WeakPolarHBondContact O-CG2 3.18Å; L560-V762 HydrophobicContact CD1-CG1 3.47Å; L560-V762 VanDerWaalsContact CD1-CG1 3.47Å; L560-V762 HydrophobicContact CD1-CG2 4.35Å; L560-V762 HydrophobicContact CD2-CG1 3.89Å; L560-V762 HydrophobicContact CG-CG1 4.3Å
561	A	92.3	Very high	89.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-71.7	-36.2	178.9	0	0	0	0	0	111.7	R557 G558 V559 N563 V564 F584 A587 K588 L591	R557-A561 WeakPolarHBondContact O-CB 3.26Å; R557-A561 PolarHBondContact O-N 2.97Å; G558-A561 PolarHBondContact O-N 3.26Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 2.77Å; A561-N563 VanDerWaalsContact C-N 3.34Å; A561-V564 WeakPolarHBondContact O-CB 3.31Å; A561-V564 PolarHBondContact O-N 2.62Å; A561-F584 HydrophobicContact CB-CD2 4.19Å; A561-F584 HydrophobicContact CB-CE2 3.82Å; A561-A587 HydrophobicContact CB-CB 4.39Å; A561-K588 HydrophobicContact CB-CB 4.28Å; A561-K588 HydrophobicContact CB-CG 3.46Å; A561-K588 VanDerWaalsContact CB-CG 3.46Å; A561-L591 HydrophobicContact CB-CD1 3.85Å
562	G	90.9	Very high	88.6	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-46.1	171.8	0	0	0	0	0	111.5	G558 V559 V564 F565	G558-G562 PolarHBondContact O-N 3.27Å; V559-G562 PolarHBondContact O-N 3.06Å; G562-V564 PolarHBondContact O-N 2.95Å; G562-F565 WeakPolarHBondContact O-CD2 3.38Å; G562-F565 PolarHBondContact O-N 2.9Å
563	N	92.1	Very high	87.5	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-59	-23.6	178	-168.4	-113	0	0	0	113.5	V559 L560 A561 F565 D621 N622 D626 E722 G723 V745 K747	V559-N563 PolarHBondContact O-N 3.13Å; L560-N563 PolarHBondContact O-N 2.74Å; A561-N563 VanDerWaalsContact C-N 3.34Å; N563-F565 PolarHBondContact O-N 3.14Å; N563-F565 VanDerWaalsContact O-N 3.12Å; N563-D621 PolarHBondContact ND2-OD2 2.77Å; N563-N622 PolarHBondContact ND2-ND2 3.07Å; N563-D626 WeakPolarHBondContact CA-OD2 3.35Å; N563-D626 PolarHBondContact ND2-OD2 3.48Å; N563-E722 WeakPolarHBondContact CB-OE1 3.24Å; N563-E722 VanDerWaalsContact CG-OE1 3.29Å; N563-E722 PolarHBondContact ND2-OE1 3.37Å; N563-G723 WeakPolarHBondContact ND2-CA 3.49Å; N563-V745 PolarHBondContact OD1-N 3.33Å; N563-K747 PolarHBondContact ND2-NZ 3.38Å; N563-K747 WeakPolarHBondContact O-CE 3.37Å; N563-K747 PolarHBondContact O-NZ 3.39Å; N563-K747 WeakPolarHBondContact OD1-CE 3.45Å; N563-K747 PolarHBondContact OD1-NZ 3.01Å
564	V	87.3	Confident	86.6	Confident	2 Å²	2	20 Å²	20	1%	0.012	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.1	175.9	179.6	0	0	0	0	112.1	L560 A561 G562 D566 V572 F582 A587 L591 V745 F760	L560-V564 PolarHBondContact O-N 3.15Å; A561-V564 WeakPolarHBondContact O-CB 3.31Å; A561-V564 PolarHBondContact O-N 2.62Å; G562-V564 PolarHBondContact O-N 2.95Å; V564-D566 PolarHBondContact O-N 3.02Å; V564-V572 WeakPolarHBondContact O-CG1 3.31Å; V564-F582 HydrophobicContact CG1-CZ 4.28Å; V564-A587 HydrophobicContact CB-CB 4.26Å; V564-A587 HydrophobicContact CG1-CB 4.45Å; V564-L591 HydrophobicContact CG2-CD2 4Å; V564-V745 HydrophobicContact CG2-CB 4.48Å; V564-V745 HydrophobicContact CG2-CG1 4.26Å; V564-V745 HydrophobicContact CG2-CG2 4.22Å; V564-F760 HydrophobicContact CG1-CE1 4.19Å
565	F	82.6	Confident	85.7	Confident	10 Å²	10	20 Å²	20	4%	0.044	11%	0.11	C	C	.	.			trans	-81.3	76.4	179.4	-67	-97.8	0	0	0	111.9	G562 N563 L576 F582 A587 V625 N656	G562-F565 WeakPolarHBondContact O-CD2 3.38Å; G562-F565 PolarHBondContact O-N 2.9Å; N563-F565 PolarHBondContact O-N 3.14Å; N563-F565 VanDerWaalsContact O-N 3.12Å; F565-L576 HydrophobicContact CD1-CD2 3.82Å; F565-L576 HydrophobicContact CE1-CD2 4.02Å; F565-F582 HydrophobicContact CD1-CD1 4.43Å; F565-F582 HydrophobicContact CD1-CE1 4.39Å; F565-F582 AromaticContact CE1-CD1 3.58Å; F565-F582 HydrophobicContact CE1-CD1 3.58Å; F565-F582 AromaticContact CE1-CE1 3.73Å; F565-F582 HydrophobicContact CE1-CE1 3.73Å; F565-F582 HydrophobicContact CE2-CE1 4.11Å; F565-F582 AromaticContact CZ-CD1 3.73Å; F565-F582 HydrophobicContact CZ-CD1 3.73Å; F565-F582 AromaticContact CZ-CE1 3.55Å; F565-F582 HydrophobicContact CZ-CE1 3.55Å; F565-A587 HydrophobicContact CD2-CB 4.42Å; F565-A587 HydrophobicContact CE2-CB 3.53Å; F565-A587 HydrophobicContact CZ-CB 4.1Å; F565-V625 HydrophobicContact CD2-CB 4.06Å; F565-V625 HydrophobicContact CD2-CG1 4.03Å; F565-V625 HydrophobicContact CE2-CB 4.27Å; F565-V625 HydrophobicContact CE2-CG1 3.92Å; F565-V625 HydrophobicContact CE2-CG2 4.47Å; F565-V625 HydrophobicContact CG-CB 4.37Å; F565-V625 HydrophobicContact CZ-CG2 4.48Å; F565-N656 PolarHBondContact O-ND2 3.34Å; F565-N656 VanDerWaalsContact O-ND2 3.12Å
566	D	81.9	Confident	84.7	Confident	12 Å²	12	20.9 Å²	20.9	6%	0.064	12%	0.115	C	C	.	.			trans	-129.9	118.7	-176.7	167.6	-7.4	0	0	0	110.5	V564 G568 A569 V572 K747	V564-D566 PolarHBondContact O-N 3.02Å; D566-G568 VanDerWaalsContact C-N 3.34Å; D566-G568 VanDerWaalsContact OD1-CA 3.27Å; D566-G568 WeakPolarHBondContact OD1-CA 3.37Å; D566-G568 PolarHBondContact OD1-N 3.46Å; D566-A569 PolarHBondContact OD1-N 2.97Å; D566-V572 WeakPolarHBondContact O-CB 3.43Å; D566-V572 WeakPolarHBondContact O-CG1 3.43Å; D566-K747 HydrophobicContact CB-CD 3.7Å; D566-K747 VanDerWaalsContact OD2-CD 3.24Å; D566-K747 WeakPolarHBondContact OD2-CD 3.43Å; D566-K747 IonicContact OD2-NZ 3.99Å; D566-K747 PolarHBondContact OD2-NZ 3.19Å
567	W	80.4	Confident	83.7	Confident	30 Å²	30	26 Å²	26	11%	0.114	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.7	-176.8	-71.8	84.5	0	0	0	114	Y521 I524 E528 L576 E577 N656	Y521-W567 HydrophobicContact CD1-CB 4.01Å; Y521-W567 HydrophobicContact CD1-CG 4.36Å; Y521-W567 HydrophobicContact CE1-CB 3.53Å; Y521-W567 HydrophobicContact CE1-CG 4.23Å; I524-W567 HydrophobicContact CD1-CD2 4.34Å; I524-W567 HydrophobicContact CD1-CE3 4.4Å; I524-W567 HydrophobicContact CD1-CH2 4.36Å; I524-W567 HydrophobicContact CD1-CZ2 4.3Å; I524-W567 HydrophobicContact CD1-CZ3 4.4Å; I524-W567 HydrophobicContact CG2-CD2 4.39Å; I524-W567 HydrophobicContact CG2-CZ2 3.82Å; E528-W567 PolarHBondContact OE1-NE1 2.81Å; W567-L576 HydrophobicContact CD2-CD1 4.13Å; W567-L576 HydrophobicContact CG-CD1 4.38Å; W567-L576 HydrophobicContact CH2-CB 3.96Å; W567-L576 HydrophobicContact CZ2-CB 3.92Å; W567-L576 HydrophobicContact CZ2-CD1 4.09Å; W567-L576 HydrophobicContact CZ3-CB 4.44Å; W567-E577 HydrophobicContact CH2-CG 4.3Å; W567-E577 HydrophobicContact CZ3-CG 3.81Å; W567-N656 PolarHBondContact N-OD1 3.2Å; W567-N656 VanDerWaalsContact N-OD1 3.09Å
568	G	73	Confident	82.8	Confident	36 Å²	36	28.9 Å²	28.9	37%	0.371	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-24.1	170.3	0	0	0	0	0	113.2	D566	D566-G568 VanDerWaalsContact C-N 3.34Å; D566-G568 VanDerWaalsContact OD1-CA 3.27Å; D566-G568 WeakPolarHBondContact OD1-CA 3.37Å; D566-G568 PolarHBondContact OD1-N 3.46Å
569	A	78.4	Confident	81.9	Confident	7 Å²	7	31.6 Å²	31.6	6%	0.058	18%	0.178	C	C	.	.	S	Bend	trans	-90.7	122.7	-179.8	0	0	0	0	0	112.6	D566 A571 V572 S573 K747	D566-A569 PolarHBondContact OD1-N 2.97Å; A569-A571 PolarHBondContact O-N 2.85Å; A569-V572 HydrophobicContact CB-CB 4.23Å; A569-V572 HydrophobicContact CB-CG2 4.16Å; A569-V572 PolarHBondContact O-N 3.23Å; A569-V572 VanDerWaalsContact O-N 3.12Å; A569-S573 PolarHBondContact O-N 3.43Å; A569-K747 HydrophobicContact CB-CB 3.48Å; A569-K747 VanDerWaalsContact CB-CB 3.48Å; A569-K747 HydrophobicContact CB-CD 4.05Å; A569-K747 HydrophobicContact CB-CG 4.36Å
570	K	78.9	Confident	80.5	Confident	99 Å²	99	36.8 Å²	36.8	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-52.2	-51.9	-179.1	-177.2	-179.5	178.4	-176.5	0	113.2	E452 V572 S573 E574	E452-K570 IonicContact OE2-NZ 3.46Å; E452-K570 PolarHBondContact OE2-NZ 3.5Å; K570-V572 PolarHBondContact O-N 3.18Å; K570-S573 PolarHBondContact O-N 3.27Å; K570-E574 WeakPolarHBondContact CE-OE1 3.2Å; K570-E574 WeakPolarHBondContact O-CG 3.46Å; K570-E574 PolarHBondContact O-N 3.33Å; K570-E574 VanDerWaalsContact O-N 3.08Å
571	A	76.2	Confident	79.3	Confident	31 Å²	31	45.3 Å²	45.3	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-26.6	-176.6	0	0	0	0	0	113.3	A569 V575 L759	A569-A571 PolarHBondContact O-N 2.85Å; A571-V575 VanDerWaalsContact O-CG2 3.32Å; A571-V575 WeakPolarHBondContact O-CG2 3.48Å; A571-L759 HydrophobicContact CB-CD1 4.27Å; A571-L759 HydrophobicContact CB-CD2 4.14Å
572	V	79	Confident	78.3	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-86.8	-47.7	177.5	175	0	0	0	0	110.4	V564 D566 A569 K570 E574 V575 L576 K747 F760	V564-V572 WeakPolarHBondContact O-CG1 3.31Å; D566-V572 WeakPolarHBondContact O-CB 3.43Å; D566-V572 WeakPolarHBondContact O-CG1 3.43Å; A569-V572 HydrophobicContact CB-CB 4.23Å; A569-V572 HydrophobicContact CB-CG2 4.16Å; A569-V572 PolarHBondContact O-N 3.23Å; A569-V572 VanDerWaalsContact O-N 3.12Å; K570-V572 PolarHBondContact O-N 3.18Å; V572-E574 PolarHBondContact O-N 2.99Å; V572-V575 WeakPolarHBondContact O-CA 3.42Å; V572-V575 WeakPolarHBondContact O-CB 2.88Å; V572-V575 PolarHBondContact O-N 2.92Å; V572-L576 HydrophobicContact CG1-CD1 3.69Å; V572-L576 HydrophobicContact CG1-CG 4Å; V572-L576 WeakPolarHBondContact O-CG 3.24Å; V572-L576 PolarHBondContact O-N 2.97Å; V572-K747 HydrophobicContact CG2-CB 4.05Å; V572-K747 HydrophobicContact CG2-CD 4.25Å; V572-K747 HydrophobicContact CG2-CG 4.02Å; V572-F760 HydrophobicContact CG2-CE1 3.96Å; V572-F760 HydrophobicContact CG2-CZ 4.46Å
573	S	75.8	Confident	77.8	Confident	8 Å²	8	47.5 Å²	47.5	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-53.9	-42.3	178.9	-170.3	0	0	0	0	111.5	R460 A569 K570 V575 L576 E577	R460-S573 PolarHBondContact NH1-OG 3.21Å; A569-S573 PolarHBondContact O-N 3.43Å; K570-S573 PolarHBondContact O-N 3.27Å; S573-V575 VanDerWaalsContact C-N 3.32Å; S573-V575 PolarHBondContact O-N 3.4Å; S573-L576 PolarHBondContact O-N 2.89Å; S573-E577 VanDerWaalsContact O-CB 3.31Å; S573-E577 WeakPolarHBondContact O-CB 3.43Å; S573-E577 WeakPolarHBondContact O-CG 3.38Å; S573-E577 PolarHBondContact O-N 2.78Å; S573-E577 PolarHBondContact OG-OE1 3.23Å; S573-E577 VanDerWaalsContact OG-OE1 3.04Å
574	E	76.6	Confident	77.1	Confident	106 Å²	106	48.8 Å²	48.8	50%	0.495	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-37.8	176.4	-72.7	174.8	-175.8	0	0	112.8	K570 V572 S578	K570-E574 WeakPolarHBondContact CE-OE1 3.2Å; K570-E574 WeakPolarHBondContact O-CG 3.46Å; K570-E574 PolarHBondContact O-N 3.33Å; K570-E574 VanDerWaalsContact O-N 3.08Å; V572-E574 PolarHBondContact O-N 2.99Å; E574-S578 VanDerWaalsContact O-CB 3.26Å; E574-S578 WeakPolarHBondContact O-CB 3.5Å; E574-S578 PolarHBondContact O-N 3.09Å; E574-S578 PolarHBondContact O-OG 2.95Å
575	V	77.5	Confident	76.7	Confident	28 Å²	28	54 Å²	54	17%	0.17	30%	0.299	C	S	.	.	H	α-helix	trans	-70.9	-44.6	177.7	174.8	0	0	0	0	110.7	A571 V572 S573 E577 S578 N579 F582	A571-V575 VanDerWaalsContact O-CG2 3.32Å; A571-V575 WeakPolarHBondContact O-CG2 3.48Å; V572-V575 WeakPolarHBondContact O-CA 3.42Å; V572-V575 WeakPolarHBondContact O-CB 2.88Å; V572-V575 PolarHBondContact O-N 2.92Å; S573-V575 VanDerWaalsContact C-N 3.32Å; S573-V575 PolarHBondContact O-N 3.4Å; V575-E577 VanDerWaalsContact C-N 3.31Å; V575-E577 PolarHBondContact O-N 3.11Å; V575-S578 PolarHBondContact O-N 3.4Å; V575-S578 PolarHBondContact O-OG 3.04Å; V575-N579 WeakPolarHBondContact O-CB 3.19Å; V575-N579 PolarHBondContact O-N 3.32Å; V575-F582 HydrophobicContact CG1-CD2 3.89Å; V575-F582 HydrophobicContact CG1-CE2 4.26Å; V575-F582 HydrophobicContact CG1-CG 4.07Å
576	L	76.3	Confident	76.5	Confident	24 Å²	24	57.1 Å²	57.1	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-34.1	178.9	-64.7	177.9	0	0	0	112.1	F565 W567 V572 S573 F582	F565-L576 HydrophobicContact CD1-CD2 3.82Å; F565-L576 HydrophobicContact CE1-CD2 4.02Å; W567-L576 HydrophobicContact CD2-CD1 4.13Å; W567-L576 HydrophobicContact CG-CD1 4.38Å; W567-L576 HydrophobicContact CH2-CB 3.96Å; W567-L576 HydrophobicContact CZ2-CB 3.92Å; W567-L576 HydrophobicContact CZ2-CD1 4.09Å; W567-L576 HydrophobicContact CZ3-CB 4.44Å; V572-L576 HydrophobicContact CG1-CD1 3.69Å; V572-L576 HydrophobicContact CG1-CG 4Å; V572-L576 WeakPolarHBondContact O-CG 3.24Å; V572-L576 PolarHBondContact O-N 2.97Å; S573-L576 PolarHBondContact O-N 2.89Å; L576-F582 HydrophobicContact CD2-CD1 3.64Å; L576-F582 HydrophobicContact CD2-CE1 4.24Å
577	E	77.1	Confident	76.5	Confident	108 Å²	108	56.5 Å²	56.5	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-73.5	-38	175.7	-73.8	174.1	-161.4	0	0	112.7	R460 W567 S573 V575	R460-E577 IonicContact NH1-OE1 3.51Å; R460-E577 PolarHBondContact NH1-OE1 3.27Å; W567-E577 HydrophobicContact CH2-CG 4.3Å; W567-E577 HydrophobicContact CZ3-CG 3.81Å; S573-E577 VanDerWaalsContact O-CB 3.31Å; S573-E577 WeakPolarHBondContact O-CB 3.43Å; S573-E577 WeakPolarHBondContact O-CG 3.38Å; S573-E577 PolarHBondContact O-N 2.78Å; S573-E577 PolarHBondContact OG-OE1 3.23Å; S573-E577 VanDerWaalsContact OG-OE1 3.04Å; V575-E577 VanDerWaalsContact C-N 3.31Å; V575-E577 PolarHBondContact O-N 3.11Å
578	S	75.9	Confident	76.5	Confident	93 Å²	93	57.5 Å²	57.5	65%	0.65	32%	0.315	S	S	*	.	H	α-helix	trans	-88.5	-24.6	-175.1	59.9	0	0	0	0	114.6	E574 V575	E574-S578 VanDerWaalsContact O-CB 3.26Å; E574-S578 WeakPolarHBondContact O-CB 3.5Å; E574-S578 PolarHBondContact O-N 3.09Å; E574-S578 PolarHBondContact O-OG 2.95Å; V575-S578 PolarHBondContact O-N 3.4Å; V575-S578 PolarHBondContact O-OG 3.04Å
579	N	75.3	Confident	76.9	Confident	63 Å²	63	65 Å²	65	34%	0.337	33%	0.332	S	S	.	.			trans	-126.9	92.2	-176.8	-173.1	2	0	0	0	112.5	V575 E581 F582	V575-N579 WeakPolarHBondContact O-CB 3.19Å; V575-N579 PolarHBondContact O-N 3.32Å; N579-E581 PolarHBondContact O-N 3.04Å; N579-E581 VanDerWaalsContact O-N 3.15Å; N579-E581 WeakPolarHBondContact OD1-CB 3.34Å; N579-E581 PolarHBondContact OD1-N 2.92Å; N579-F582 HydrophobicContact CB-CB 4.33Å; N579-F582 WeakPolarHBondContact O-CB 3.4Å; N579-F582 PolarHBondContact O-N 3.49Å; N579-F582 VanDerWaalsContact O-N 3.1Å; N579-F582 PolarHBondContact OD1-N 2.9Å
580	P	68	Low	76.9	Confident	109 Å²	109	68.9 Å²	68.9	71%	0.708	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.5	176.6	-21.2	32.9	0	0	0	114.8
581	E	69.1	Low	77.1	Confident	180 Å²	180	64.4 Å²	64.4	84%	0.841	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.7	177.9	-60.8	-172.3	167.6	0	0	112.7	N579 G583	N579-E581 PolarHBondContact O-N 3.04Å; N579-E581 VanDerWaalsContact O-N 3.15Å; N579-E581 WeakPolarHBondContact OD1-CB 3.34Å; N579-E581 PolarHBondContact OD1-N 2.92Å; E581-G583 PolarHBondContact O-N 3.28Å; E581-G583 VanDerWaalsContact O-N 3.07Å
582	F	72.6	Confident	77.4	Confident	17 Å²	17	64.1 Å²	64.1	8%	0.075	32%	0.32	C	S	.	.			trans	-61.9	114.4	176.4	-174.2	-97	0	0	0	110.1	V564 F565 V575 L576 N579 E586 A587	V564-F582 HydrophobicContact CG1-CZ 4.28Å; F565-F582 HydrophobicContact CD1-CD1 4.43Å; F565-F582 HydrophobicContact CD1-CE1 4.39Å; F565-F582 AromaticContact CE1-CD1 3.58Å; F565-F582 HydrophobicContact CE1-CD1 3.58Å; F565-F582 AromaticContact CE1-CE1 3.73Å; F565-F582 HydrophobicContact CE1-CE1 3.73Å; F565-F582 HydrophobicContact CE2-CE1 4.11Å; F565-F582 AromaticContact CZ-CD1 3.73Å; F565-F582 HydrophobicContact CZ-CD1 3.73Å; F565-F582 AromaticContact CZ-CE1 3.55Å; F565-F582 HydrophobicContact CZ-CE1 3.55Å; V575-F582 HydrophobicContact CG1-CD2 3.89Å; V575-F582 HydrophobicContact CG1-CE2 4.26Å; V575-F582 HydrophobicContact CG1-CG 4.07Å; L576-F582 HydrophobicContact CD2-CD1 3.64Å; L576-F582 HydrophobicContact CD2-CE1 4.24Å; N579-F582 HydrophobicContact CB-CB 4.33Å; N579-F582 WeakPolarHBondContact O-CB 3.4Å; N579-F582 PolarHBondContact O-N 3.49Å; N579-F582 VanDerWaalsContact O-N 3.1Å; N579-F582 PolarHBondContact OD1-N 2.9Å; F582-E586 HydrophobicContact CD2-CB 4.29Å; F582-E586 HydrophobicContact CD2-CG 3.84Å; F582-E586 HydrophobicContact CE2-CB 4.21Å; F582-E586 HydrophobicContact CE2-CG 3.74Å; F582-A587 HydrophobicContact CE1-CB 4.11Å; F582-A587 HydrophobicContact CZ-CB 3.86Å
583	G	78.9	Confident	77.8	Confident	30 Å²	30	70.3 Å²	70.3	31%	0.309	35%	0.353	S	S	.	.			trans	-130.4	174.2	-172.5	0	0	0	0	0	113.2	E581 E585 E586 A587	E581-G583 PolarHBondContact O-N 3.28Å; E581-G583 VanDerWaalsContact O-N 3.07Å; G583-E585 VanDerWaalsContact C-N 3.31Å; G583-E585 PolarHBondContact O-N 3.47Å; G583-E586 PolarHBondContact O-N 3.23Å; G583-A587 PolarHBondContact O-N 2.97Å
584	F	78.2	Confident	78.7	Confident	27 Å²	27	73.9 Å²	73.9	12%	0.118	37%	0.365	C	S	.	.	H	α-helix	trans	-54.8	-39.9	-171.9	-174.6	-133.9	0	0	0	114.4	A561 A587 K588 V625 L629	A561-F584 HydrophobicContact CB-CD2 4.19Å; A561-F584 HydrophobicContact CB-CE2 3.82Å; F584-A587 PolarHBondContact O-N 3.05Å; F584-K588 WeakPolarHBondContact O-CG 3.5Å; F584-K588 PolarHBondContact O-N 3.46Å; F584-V625 HydrophobicContact CB-CG1 3.96Å; F584-V625 HydrophobicContact CD2-CG1 3.18Å; F584-V625 HydrophobicContact CE2-CG1 3.73Å; F584-V625 HydrophobicContact CG-CG1 3.77Å; F584-L629 HydrophobicContact CD1-CB 4.36Å; F584-L629 HydrophobicContact CD1-CD1 4.16Å; F584-L629 HydrophobicContact CE1-CB 3.95Å; F584-L629 HydrophobicContact CE2-CB 4.36Å; F584-L629 HydrophobicContact CG-CD1 4.35Å; F584-L629 HydrophobicContact CZ-CB 3.94Å
585	E	79.1	Confident	79.5	Confident	111 Å²	111	74.2 Å²	74.2	52%	0.519	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-32.9	178.8	-68.5	-57	133	0	0	112.9	G583 K588 R589	G583-E585 VanDerWaalsContact C-N 3.31Å; G583-E585 PolarHBondContact O-N 3.47Å; E585-K588 PolarHBondContact O-N 3.48Å; E585-K588 IonicContact OE1-NZ 3Å; E585-K588 PolarHBondContact OE1-NZ 3.4Å; E585-R589 WeakPolarHBondContact O-CG 3.4Å; E585-R589 PolarHBondContact O-N 3.27Å; E585-R589 VanDerWaalsContact O-N 3.17Å
586	E	78.6	Confident	80.4	Confident	76 Å²	76	73.3 Å²	73.3	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-72.2	-38.7	174.3	-175.6	60	-163.3	0	0	110.8	F582 G583 K588 R589 R590	F582-E586 HydrophobicContact CD2-CB 4.29Å; F582-E586 HydrophobicContact CD2-CG 3.84Å; F582-E586 HydrophobicContact CE2-CB 4.21Å; F582-E586 HydrophobicContact CE2-CG 3.74Å; G583-E586 PolarHBondContact O-N 3.23Å; E586-K588 VanDerWaalsContact C-N 3.32Å; E586-K588 PolarHBondContact O-N 3.45Å; E586-R589 WeakPolarHBondContact O-CB 3.41Å; E586-R589 PolarHBondContact O-N 3.28Å; E586-R590 PolarHBondContact O-N 3.11Å; E586-R590 VanDerWaalsContact O-N 3.09Å
587	A	80.5	Confident	81.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-43.6	172	0	0	0	0	0	111.7	A561 V564 F565 F582 G583 F584 R589 R590 L591	A561-A587 HydrophobicContact CB-CB 4.39Å; V564-A587 HydrophobicContact CB-CB 4.26Å; V564-A587 HydrophobicContact CG1-CB 4.45Å; F565-A587 HydrophobicContact CD2-CB 4.42Å; F565-A587 HydrophobicContact CE2-CB 3.53Å; F565-A587 HydrophobicContact CZ-CB 4.1Å; F582-A587 HydrophobicContact CE1-CB 4.11Å; F582-A587 HydrophobicContact CZ-CB 3.86Å; G583-A587 PolarHBondContact O-N 2.97Å; F584-A587 PolarHBondContact O-N 3.05Å; A587-R589 VanDerWaalsContact C-N 3.28Å; A587-R589 PolarHBondContact O-N 3.37Å; A587-R590 PolarHBondContact O-N 2.91Å; A587-R590 VanDerWaalsContact O-N 3.15Å; A587-L591 PolarHBondContact O-N 3.42Å
588	K	80.6	Confident	82.2	Confident	51 Å²	51	70.9 Å²	70.9	22%	0.222	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-35.9	172.9	-75	177.9	-174.7	167.3	0	112.9	R557 A561 F584 E585 E586 R590	R557-K588 PolarHBondContact NH2-O 2.93Å; A561-K588 HydrophobicContact CB-CB 4.28Å; A561-K588 HydrophobicContact CB-CG 3.46Å; A561-K588 VanDerWaalsContact CB-CG 3.46Å; F584-K588 WeakPolarHBondContact O-CG 3.5Å; F584-K588 PolarHBondContact O-N 3.46Å; E585-K588 PolarHBondContact O-N 3.48Å; E585-K588 IonicContact OE1-NZ 3Å; E585-K588 PolarHBondContact OE1-NZ 3.4Å; E586-K588 VanDerWaalsContact C-N 3.32Å; E586-K588 PolarHBondContact O-N 3.45Å; K588-R590 VanDerWaalsContact C-N 3.34Å
589	R	81.6	Confident	83.2	Confident	192 Å²	192	68.3 Å²	68.3	73%	0.725	34%	0.34	S	S	*	.	H	α-helix	trans	-73	-25.8	178	-71.4	174.2	-172.4	-174.1	1.5	113.2	E585 E586 A587	E585-R589 WeakPolarHBondContact O-CG 3.4Å; E585-R589 PolarHBondContact O-N 3.27Å; E585-R589 VanDerWaalsContact O-N 3.17Å; E586-R589 WeakPolarHBondContact O-CB 3.41Å; E586-R589 PolarHBondContact O-N 3.28Å; A587-R589 VanDerWaalsContact C-N 3.28Å; A587-R589 PolarHBondContact O-N 3.37Å
590	R	79.5	Confident	84.3	Confident	89 Å²	89	66 Å²	66	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-78.1	-22.2	177	-71.6	-168.8	177.4	-161.5	2	113.7	E586 A587 K588 E592	E586-R590 PolarHBondContact O-N 3.11Å; E586-R590 VanDerWaalsContact O-N 3.09Å; A587-R590 PolarHBondContact O-N 2.91Å; A587-R590 VanDerWaalsContact O-N 3.15Å; K588-R590 VanDerWaalsContact C-N 3.34Å; R590-E592 PolarHBondContact O-N 3.27Å
591	L	82.8	Confident	85.7	Confident	5 Å²	5	61 Å²	61	3%	0.026	30%	0.296	C	S	.	.	S	Bend	trans	-64.3	131.1	173.9	-65.5	179.2	0	0	0	110.5	R557 L560 A561 V564 A587 V745 V762	R557-L591 VanDerWaalsContact CZ-CB 3.45Å; R557-L591 VanDerWaalsContact NH1-CB 3.33Å; R557-L591 PolarHBondContact NH1-O 3.03Å; R557-L591 PolarHBondContact NH2-O 3.19Å; L560-L591 HydrophobicContact CB-CD1 3.89Å; L560-L591 HydrophobicContact CB-CD2 4.21Å; A561-L591 HydrophobicContact CB-CD1 3.85Å; V564-L591 HydrophobicContact CG2-CD2 4Å; A587-L591 PolarHBondContact O-N 3.42Å; L591-V745 HydrophobicContact CD2-CG1 4.37Å; L591-V745 HydrophobicContact CD2-CG2 3.57Å; L591-V762 HydrophobicContact CD2-CG2 4.12Å
592	E	82.3	Confident	87.1	Confident	25 Å²	25	57 Å²	57	12%	0.117	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-57.7	144.6	176	53.9	176.3	-164.4	0	0	112.7	R557 R590 W596 L597 K758 S761 V762	R557-E592 PolarHBondContact NH1-O 3.13Å; R590-E592 PolarHBondContact O-N 3.27Å; E592-W596 PolarHBondContact O-NE1 3.09Å; E592-W596 WeakPolarHBondContact OE1-CA 3.39Å; E592-L597 PolarHBondContact OE1-N 2.73Å; E592-K758 WeakPolarHBondContact OE2-CE 3.31Å; E592-S761 VanDerWaalsContact CD-CA 3.47Å; E592-S761 WeakPolarHBondContact OE1-CA 3.17Å; E592-S761 PolarHBondContact OE2-OG 3.27Å; E592-V762 HydrophobicContact CG-CB 4.31Å; E592-V762 HydrophobicContact CG-CG2 4Å; E592-V762 PolarHBondContact OE1-N 3.37Å
593	D	87.6	Confident	88.3	Confident	135 Å²	135	62.1 Å²	62.1	72%	0.722	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-68.2	153.9	167.5	-67.8	-38.6	0	0	0	110.1
594	R	93.8	Very high	89.2	Confident	82 Å²	82	60.7 Å²	60.7	31%	0.309	29%	0.29	S	S	.	.	S	Bend	trans	-66.5	147.9	175.6	-67.2	-178.7	67.1	-153.3	-1	110.6	F553 W596 D599 F601 D602	F553-R594 HydrophobicContact CE2-CG 4.25Å; F553-R594 HydrophobicContact CZ-CG 4.37Å; R594-W596 HydrophobicContact CG-CD2 3.91Å; R594-W596 HydrophobicContact CG-CE3 4.48Å; R594-W596 HydrophobicContact CG-CG 4.2Å; R594-W596 HydrophobicContact CG-CZ2 3.99Å; R594-D599 WeakPolarHBondContact CG-OD2 3.33Å; R594-D599 IonicContact CZ-OD1 3.87Å; R594-D599 IonicContact CZ-OD2 3.88Å; R594-D599 IonicContact NE-OD1 3.96Å; R594-D599 PolarHBondContact NE-OD1 2.94Å; R594-D599 IonicContact NE-OD2 3.94Å; R594-D599 PolarHBondContact NE-OD2 3.43Å; R594-D599 IonicContact NH2-OD1 3.71Å; R594-D599 PolarHBondContact NH2-OD1 2.92Å; R594-D599 IonicContact NH2-OD2 2.84Å; R594-D599 PolarHBondContact NH2-OD2 3.16Å; R594-F601 VanDerWaalsContact NH1-CD1 3.3Å; R594-D602 IonicContact CZ-OD1 2.63Å; R594-D602 IonicContact CZ-OD2 3.73Å; R594-D602 IonicContact NH1-OD1 3.96Å; R594-D602 PolarHBondContact NH1-OD1 3.22Å; R594-D602 IonicContact NH1-OD2 3.68Å; R594-D602 IonicContact NH2-OD1 2.63Å; R594-D602 PolarHBondContact NH2-OD1 3.42Å; R594-D602 IonicContact NH2-OD2 2.78Å; R594-D602 PolarHBondContact NH2-OD2 2.9Å
595	P	94.1	Very high	90.1	Very high	113 Å²	113	60.4 Å²	60.4	73%	0.734	29%	0.289	S	S	*	.	S	Bend	cis	-75	135	4.6	30.7	-34.6	0	0	0	112.6	D599	P595-D599 WeakPolarHBondContact CA-OD2 3.44Å
596	W	95.9	Very high	91	Very high	10 Å²	10	60.6 Å²	60.6	4%	0.038	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.4	162.9	172.1	-62.9	-31.2	0	0	0	112	F553 V556 L560 E592 R594 V598 D599 F601 V762 F764	F553-W596 HydrophobicContact CD2-CH2 4.39Å; F553-W596 AromaticContact CE2-CH2 3.69Å; F553-W596 HydrophobicContact CE2-CH2 3.69Å; F553-W596 AromaticContact CE2-CZ2 3.65Å; F553-W596 HydrophobicContact CE2-CZ2 3.65Å; F553-W596 HydrophobicContact CZ-CZ2 4.13Å; V556-W596 HydrophobicContact CG1-CH2 3.65Å; V556-W596 HydrophobicContact CG1-CZ3 4.01Å; L560-W596 HydrophobicContact CD1-CH2 3.85Å; L560-W596 HydrophobicContact CD1-CZ2 3.99Å; L560-W596 HydrophobicContact CD1-CZ3 4.24Å; E592-W596 PolarHBondContact O-NE1 3.09Å; E592-W596 WeakPolarHBondContact OE1-CA 3.39Å; R594-W596 HydrophobicContact CG-CD2 3.91Å; R594-W596 HydrophobicContact CG-CE3 4.48Å; R594-W596 HydrophobicContact CG-CG 4.2Å; R594-W596 HydrophobicContact CG-CZ2 3.99Å; W596-V598 PolarHBondContact O-N 3.03Å; W596-D599 HydrophobicContact CB-CB 3.95Å; W596-D599 PolarHBondContact N-OD2 3Å; W596-D599 VanDerWaalsContact N-OD2 3.09Å; W596-F601 HydrophobicContact CZ3-CB 3.97Å; W596-F601 HydrophobicContact CZ3-CD2 4.44Å; W596-F601 HydrophobicContact CZ3-CG 4.46Å; W596-V762 HydrophobicContact CB-CB 3.88Å; W596-V762 HydrophobicContact CB-CG1 4Å; W596-V762 HydrophobicContact CD2-CB 3.98Å; W596-V762 HydrophobicContact CD2-CG1 3.45Å; W596-V762 VanDerWaalsContact CD2-CG1 3.45Å; W596-V762 HydrophobicContact CE3-CG1 3.75Å; W596-V762 HydrophobicContact CG-CB 3.6Å; W596-V762 HydrophobicContact CG-CG1 3.6Å; W596-V762 HydrophobicContact CG-CG2 4.41Å; W596-V762 HydrophobicContact CZ3-CG1 4.38Å; W596-F764 HydrophobicContact CE3-CB 3.47Å; W596-F764 VanDerWaalsContact CE3-CB 3.47Å; W596-F764 HydrophobicContact CE3-CG 4.12Å; W596-F764 HydrophobicContact CZ3-CB 3.56Å; W596-F764 HydrophobicContact CZ3-CD1 4.36Å; W596-F764 AromaticContact CZ3-CD2 3.98Å; W596-F764 HydrophobicContact CZ3-CD2 3.98Å; W596-F764 AromaticContact CZ3-CG 3.7Å; W596-F764 HydrophobicContact CZ3-CG 3.7Å
597	L	95.4	Very high	91.8	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.267	28%	0.283	S	S	.	.	S	Bend	trans	-52.3	-44.7	176.8	178.3	64	0	0	0	112.3	E592 I746 L755 V762	E592-L597 PolarHBondContact OE1-N 2.73Å; L597-I746 HydrophobicContact CD2-CD1 3.49Å; L597-I746 VanDerWaalsContact CD2-CD1 3.49Å; L597-L755 HydrophobicContact CD2-CB 3.96Å; L597-V762 WeakPolarHBondContact CB-O 3.35Å; L597-V762 PolarHBondContact N-O 2.95Å
598	V	96.7	Very high	92.6	Very high	29 Å²	29	59.7 Å²	59.7	18%	0.176	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	112.2	163.2	-177	0	0	0	0	107.2	W596 V762 V763 F764 K765	W596-V598 PolarHBondContact O-N 3.03Å; V598-V762 PolarHBondContact N-O 3.49Å; V598-V763 HydrophobicContact CB-CG1 4.13Å; V598-V763 HydrophobicContact CG2-CG1 4.28Å; V598-V763 HydrophobicContact CG2-CG2 4.39Å; V598-F764 CarbonylContact O-C 3.52Å; V598-F764 WeakPolarHBondContact O-CA 3.37Å; V598-F764 PolarHBondContact O-N 3.31Å; V598-F764 VanDerWaalsContact O-O 3.07Å; V598-K765 HydrophobicContact CG1-CB 3.8Å; V598-K765 HydrophobicContact CG1-CG 3.95Å
599	D	97.4	Very high	93.3	Very high	40 Å²	40	62.3 Å²	62.3	21%	0.214	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	90.9	-173.5	-163.8	-30.7	0	0	0	110.9	R594 P595 W596 F601	R594-D599 WeakPolarHBondContact CG-OD2 3.33Å; R594-D599 IonicContact CZ-OD1 3.87Å; R594-D599 IonicContact CZ-OD2 3.88Å; R594-D599 IonicContact NE-OD1 3.96Å; R594-D599 PolarHBondContact NE-OD1 2.94Å; R594-D599 IonicContact NE-OD2 3.94Å; R594-D599 PolarHBondContact NE-OD2 3.43Å; R594-D599 IonicContact NH2-OD1 3.71Å; R594-D599 PolarHBondContact NH2-OD1 2.92Å; R594-D599 IonicContact NH2-OD2 2.84Å; R594-D599 PolarHBondContact NH2-OD2 3.16Å; P595-D599 WeakPolarHBondContact CA-OD2 3.44Å; W596-D599 HydrophobicContact CB-CB 3.95Å; W596-D599 PolarHBondContact N-OD2 3Å; W596-D599 VanDerWaalsContact N-OD2 3.09Å; D599-F601 WeakPolarHBondContact OD1-CB 3.39Å; D599-F601 PolarHBondContact OD1-N 3.07Å
600	S	97.9	Very high	94	Very high	13 Å²	13	54.8 Å²	54.8	9%	0.091	28%	0.278	C	S	.	.			trans	-102.6	19.1	172.3	-47.6	0	0	0	0	112.2	D602 Q603 W604 F764 Y766	S600-D602 PolarHBondContact O-N 3.37Å; S600-Q603 PolarHBondContact O-N 2.96Å; S600-W604 PolarHBondContact O-N 3Å; S600-F764 WeakPolarHBondContact CB-O 3.04Å; S600-F764 PolarHBondContact N-O 2.97Å; S600-F764 PolarHBondContact OG-O 2.93Å; S600-Y766 VanDerWaalsContact CB-N 3.3Å; S600-Y766 PolarHBondContact OG-N 3.38Å
601	F	97.9	Very high	94.8	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-40.8	-172.4	177.9	-93.5	0	0	0	112.3	Q552 F553 V556 R594 W596 D599 Q603 W604 L605 F764	Q552-F601 HydrophobicContact CB-CZ 4.45Å; F553-F601 HydrophobicContact CB-CE1 4.21Å; F553-F601 HydrophobicContact CB-CE2 4.28Å; F553-F601 HydrophobicContact CB-CZ 3.62Å; F553-F601 HydrophobicContact CD2-CD1 4.25Å; F553-F601 HydrophobicContact CD2-CD2 4.25Å; F553-F601 AromaticContact CD2-CE1 3.85Å; F553-F601 HydrophobicContact CD2-CE1 3.85Å; F553-F601 AromaticContact CD2-CE2 3.88Å; F553-F601 HydrophobicContact CD2-CE2 3.88Å; F553-F601 HydrophobicContact CD2-CG 4.43Å; F553-F601 AromaticContact CD2-CZ 3.67Å; F553-F601 HydrophobicContact CD2-CZ 3.67Å; F553-F601 HydrophobicContact CG-CE1 4.43Å; F553-F601 HydrophobicContact CG-CZ 4.12Å; V556-F601 HydrophobicContact CB-CD2 4.32Å; V556-F601 HydrophobicContact CB-CE2 4.11Å; V556-F601 HydrophobicContact CG1-CD2 4.26Å; V556-F601 HydrophobicContact CG2-CD2 4.07Å; V556-F601 HydrophobicContact CG2-CE2 3.8Å; R594-F601 VanDerWaalsContact NH1-CD1 3.3Å; W596-F601 HydrophobicContact CZ3-CB 3.97Å; W596-F601 HydrophobicContact CZ3-CD2 4.44Å; W596-F601 HydrophobicContact CZ3-CG 4.46Å; D599-F601 WeakPolarHBondContact OD1-CB 3.39Å; D599-F601 PolarHBondContact OD1-N 3.07Å; F601-Q603 VanDerWaalsContact C-N 3.32Å; F601-Q603 PolarHBondContact O-N 3.04Å; F601-W604 WeakPolarHBondContact O-CB 3.39Å; F601-W604 PolarHBondContact O-N 2.95Å; F601-L605 HydrophobicContact CE1-CB 4.25Å; F601-L605 HydrophobicContact CE1-CD2 4.09Å; F601-L605 WeakPolarHBondContact O-CB 3.39Å; F601-L605 PolarHBondContact O-N 2.92Å; F601-F764 HydrophobicContact CB-CD1 4.1Å; F601-F764 HydrophobicContact CB-CE1 4.17Å; F601-F764 HydrophobicContact CD2-CE1 4.32Å; F601-F764 HydrophobicContact CD2-CZ 4.22Å
602	D	97.9	Very high	95.5	Very high	96 Å²	96	58 Å²	58	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-36.2	-178.9	-58	-35.6	0	0	0	111.7	R594 S600 L605 E606	R594-D602 IonicContact CZ-OD1 2.63Å; R594-D602 IonicContact CZ-OD2 3.73Å; R594-D602 IonicContact NH1-OD1 3.96Å; R594-D602 PolarHBondContact NH1-OD1 3.22Å; R594-D602 IonicContact NH1-OD2 3.68Å; R594-D602 IonicContact NH2-OD1 2.63Å; R594-D602 PolarHBondContact NH2-OD1 3.42Å; R594-D602 IonicContact NH2-OD2 2.78Å; R594-D602 PolarHBondContact NH2-OD2 2.9Å; S600-D602 PolarHBondContact O-N 3.37Å; D602-L605 PolarHBondContact O-N 3.45Å; D602-E606 WeakPolarHBondContact O-CB 3.4Å; D602-E606 PolarHBondContact O-N 3.42Å
603	Q	97.7	Very high	96.2	Very high	123 Å²	123	56.9 Å²	56.9	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-64.8	-42.3	174.1	-64.2	177.8	48.9	0	0	111.2	S600 F601 R607 Y766	S600-Q603 PolarHBondContact O-N 2.96Å; F601-Q603 VanDerWaalsContact C-N 3.32Å; F601-Q603 PolarHBondContact O-N 3.04Å; Q603-R607 WeakPolarHBondContact O-CB 3.46Å; Q603-R607 PolarHBondContact O-N 2.88Å; Q603-Y766 HydrophobicContact CB-CD1 4.05Å
604	W	97.7	Very high	96.7	Very high	1 Å²	1	56 Å²	56	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-48.3	174.4	173.8	-111.6	0	0	0	111.7	S600 F601 E606 R607 L608 H613 F634 L718 L741 F764 Y766	S600-W604 PolarHBondContact O-N 3Å; F601-W604 WeakPolarHBondContact O-CB 3.39Å; F601-W604 PolarHBondContact O-N 2.95Å; W604-E606 VanDerWaalsContact C-N 3.29Å; W604-E606 PolarHBondContact O-N 2.81Å; W604-R607 CarbonylContact O-C 3.56Å; W604-R607 WeakPolarHBondContact O-CA 3.48Å; W604-R607 WeakPolarHBondContact O-CB 3.44Å; W604-R607 PolarHBondContact O-N 3.36Å; W604-L608 HydrophobicContact CD2-CD2 3.96Å; W604-L608 HydrophobicContact CD2-CG 4.2Å; W604-L608 VanDerWaalsContact CE2-CD2 3.48Å; W604-L608 HydrophobicContact CE3-CD2 4.17Å; W604-L608 HydrophobicContact CH2-CD2 3.53Å; W604-L608 HydrophobicContact CZ2-CD1 4.17Å; W604-L608 HydrophobicContact CZ2-CD2 3.26Å; W604-L608 HydrophobicContact CZ2-CG 4.1Å; W604-L608 HydrophobicContact CZ3-CD2 3.98Å; W604-L608 WeakPolarHBondContact O-CG 3.03Å; W604-L608 PolarHBondContact O-N 2.87Å; W604-H613 AromaticContact CZ3-CE1 3.97Å; W604-F634 AromaticContact CZ2-CZ 3.93Å; W604-F634 HydrophobicContact CZ2-CZ 3.93Å; W604-L718 HydrophobicContact CH2-CD1 4.42Å; W604-L718 HydrophobicContact CH2-CD2 3.73Å; W604-L718 HydrophobicContact CZ3-CD1 4.19Å; W604-L718 HydrophobicContact CZ3-CD2 4.26Å; W604-L741 HydrophobicContact CD2-CD2 4.27Å; W604-L741 HydrophobicContact CH2-CD2 4.3Å; W604-L741 HydrophobicContact CZ2-CD2 4.02Å; W604-F764 HydrophobicContact CB-CE1 3.7Å; W604-F764 HydrophobicContact CB-CZ 4.04Å; W604-F764 AromaticContact CD1-CZ 3.58Å; W604-F764 AromaticContact CG-CE1 3.98Å; W604-F764 HydrophobicContact CG-CE1 3.98Å; W604-F764 AromaticContact CG-CZ 3.79Å; W604-F764 HydrophobicContact CG-CZ 3.79Å; W604-Y766 HydrophobicContact CB-CG 4.36Å; W604-Y766 AromaticContact CE3-CD2 3.57Å; W604-Y766 HydrophobicContact CE3-CD2 3.57Å; W604-Y766 AromaticContact CE3-CE2 3.66Å; W604-Y766 HydrophobicContact CE3-CE2 3.66Å; W604-Y766 HydrophobicContact CE3-CG 4.15Å; W604-Y766 HydrophobicContact CZ3-CD2 4.07Å; W604-Y766 AromaticContact CZ3-CE2 3.87Å; W604-Y766 HydrophobicContact CZ3-CE2 3.87Å
605	L	97.6	Very high	97	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-43.3	179	-177	64.6	0	0	0	111.3	W548 Q552 F601 D602 L608 K609	W548-L605 HydrophobicContact CH2-CD1 3.95Å; W548-L605 HydrophobicContact CZ3-CD1 3.78Å; Q552-L605 HydrophobicContact CB-CD1 3.78Å; Q552-L605 HydrophobicContact CG-CD1 3.74Å; F601-L605 HydrophobicContact CE1-CB 4.25Å; F601-L605 HydrophobicContact CE1-CD2 4.09Å; F601-L605 WeakPolarHBondContact O-CB 3.39Å; F601-L605 PolarHBondContact O-N 2.92Å; D602-L605 PolarHBondContact O-N 3.45Å; L605-L608 PolarHBondContact O-N 2.87Å; L605-K609 PolarHBondContact O-N 2.87Å
606	E	97.4	Very high	97.2	Very high	114 Å²	114	46.8 Å²	46.8	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-42	175	-168	57.1	-148.3	0	0	111.5	D602 W604 L608 K609	D602-E606 WeakPolarHBondContact O-CB 3.4Å; D602-E606 PolarHBondContact O-N 3.42Å; W604-E606 VanDerWaalsContact C-N 3.29Å; W604-E606 PolarHBondContact O-N 2.81Å; E606-L608 PolarHBondContact O-N 2.92Å; E606-K609 WeakPolarHBondContact O-CB 3.48Å; E606-K609 PolarHBondContact O-N 3.44Å; E606-K609 VanDerWaalsContact O-N 3.12Å; E606-K609 WeakPolarHBondContact OE2-CD 3.31Å; E606-K609 WeakPolarHBondContact OE2-CE 3.47Å; E606-K609 IonicContact OE2-NZ 2.77Å; E606-K609 PolarHBondContact OE2-NZ 3Å
607	R	96.3	Very high	97.3	Very high	53 Å²	53	46.3 Å²	46.3	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-36.1	173.6	176.8	64.9	-175.8	82.8	0.6	112.3	Q603 W604 K609 G610 P611 H613 E739 Y766	Q603-R607 WeakPolarHBondContact O-CB 3.46Å; Q603-R607 PolarHBondContact O-N 2.88Å; W604-R607 CarbonylContact O-C 3.56Å; W604-R607 WeakPolarHBondContact O-CA 3.48Å; W604-R607 WeakPolarHBondContact O-CB 3.44Å; W604-R607 PolarHBondContact O-N 3.36Å; R607-K609 VanDerWaalsContact C-N 3.29Å; R607-K609 PolarHBondContact O-N 3.03Å; R607-G610 PolarHBondContact O-N 3.01Å; R607-G610 VanDerWaalsContact O-N 3.16Å; R607-P611 PolarHBondContact NH1-O 3.16Å; R607-H613 PolarHBondContact NH2-CD2 3.05Å; R607-H613 PolarHBondContact NH2-NE2 3.25Å; R607-E739 IonicContact CZ-OE1 3.42Å; R607-E739 IonicContact CZ-OE2 2.8Å; R607-E739 IonicContact NE-OE1 2.63Å; R607-E739 PolarHBondContact NE-OE1 2.93Å; R607-E739 IonicContact NE-OE2 2.86Å; R607-E739 PolarHBondContact NE-OE2 3.12Å; R607-E739 VanDerWaalsContact NE-OE2 3.15Å; R607-E739 IonicContact NH2-OE1 2.69Å; R607-E739 PolarHBondContact NH2-OE1 3.5Å; R607-E739 IonicContact NH2-OE2 3.55Å; R607-Y766 HydrophobicContact CB-CE1 4.21Å; R607-Y766 WeakPolarHBondContact CD-OH 3.39Å; R607-Y766 VanDerWaalsContact CG-OH 3.25Å; R607-Y766 WeakPolarHBondContact CG-OH 3.24Å
608	L	96.4	Very high	97.5	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-71.4	-19.2	179.7	-59.8	-170.2	0	0	0	114.2	W548 Q552 W604 L605 E606 G610 R641	W548-L608 HydrophobicContact CH2-CB 4.01Å; W548-L608 HydrophobicContact CZ2-CB 3.99Å; Q552-L608 HydrophobicContact CG-CD1 4.11Å; W604-L608 HydrophobicContact CD2-CD2 3.96Å; W604-L608 HydrophobicContact CD2-CG 4.2Å; W604-L608 VanDerWaalsContact CE2-CD2 3.48Å; W604-L608 HydrophobicContact CE3-CD2 4.17Å; W604-L608 HydrophobicContact CH2-CD2 3.53Å; W604-L608 HydrophobicContact CZ2-CD1 4.17Å; W604-L608 HydrophobicContact CZ2-CD2 3.26Å; W604-L608 HydrophobicContact CZ2-CG 4.1Å; W604-L608 HydrophobicContact CZ3-CD2 3.98Å; W604-L608 WeakPolarHBondContact O-CG 3.03Å; W604-L608 PolarHBondContact O-N 2.87Å; L605-L608 PolarHBondContact O-N 2.87Å; E606-L608 PolarHBondContact O-N 2.92Å; L608-G610 PolarHBondContact O-N 3.41Å; L608-R641 PolarHBondContact O-NH2 2.98Å
609	K	95.9	Very high	97.6	Very high	106 Å²	106	42.5 Å²	42.5	46%	0.461	22%	0.219	S	C	.	.	H	α-helix	trans	-71.6	-21.6	171.3	-62.3	176	-170.2	163.3	0	112.2	W548 L605 E606 R607	W548-K609 HydrophobicContact CH2-CG 3.74Å; W548-K609 HydrophobicContact CZ3-CG 3.91Å; L605-K609 PolarHBondContact O-N 2.87Å; E606-K609 WeakPolarHBondContact O-CB 3.48Å; E606-K609 PolarHBondContact O-N 3.44Å; E606-K609 VanDerWaalsContact O-N 3.12Å; E606-K609 WeakPolarHBondContact OE2-CD 3.31Å; E606-K609 WeakPolarHBondContact OE2-CE 3.47Å; E606-K609 IonicContact OE2-NZ 2.77Å; E606-K609 PolarHBondContact OE2-NZ 3Å; R607-K609 VanDerWaalsContact C-N 3.29Å; R607-K609 PolarHBondContact O-N 3.03Å
610	G	95.1	Very high	97.6	Very high	34 Å²	34	40.6 Å²	40.6	35%	0.351	21%	0.209	S	C	.	.	S	Bend	trans	-73.4	-175.2	173.9	0	0	0	0	0	113.7	R607 L608	R607-G610 PolarHBondContact O-N 3.01Å; R607-G610 VanDerWaalsContact O-N 3.16Å; L608-G610 PolarHBondContact O-N 3.41Å
611	P	96.9	Very high	97.5	Very high	98 Å²	98	40.1 Å²	40.1	64%	0.636	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-59.7	148.9	177.2	26.7	-34.4	0	0	0	111.2	R607	R607-P611 PolarHBondContact NH1-O 3.16Å
612	P	97.4	Very high	97.4	Very high	62 Å²	62	39.9 Å²	39.9	40%	0.403	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-60.4	147.6	175.2	28.1	-35.4	0	0	0	110.2	R641	P612-R641 HydrophobicContact CB-CB 4.4Å; P612-R641 VanDerWaalsContact CB-O 3.24Å; P612-R641 WeakPolarHBondContact CB-O 3.35Å; P612-R641 WeakPolarHBondContact CG-O 3.5Å
613	H	98.1	Very high	97.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-60.8	149.3	166.2	-61.5	87.7	0	0	0	109.6	W604 R607 T643 D717 L718 E739	W604-H613 AromaticContact CZ3-CE1 3.97Å; R607-H613 PolarHBondContact NH2-CD2 3.05Å; R607-H613 PolarHBondContact NH2-NE2 3.25Å; H613-T643 HydrophobicContact CB-CG2 3.88Å; H613-T643 PolarHBondContact N-OG1 3.17Å; H613-T643 VanDerWaalsContact O-CA 3.3Å; H613-T643 WeakPolarHBondContact O-CA 3.36Å; H613-T643 VanDerWaalsContact O-CB 3.3Å; H613-T643 WeakPolarHBondContact O-CB 3.49Å; H613-T643 WeakPolarHBondContact O-CG2 3.26Å; H613-T643 PolarHBondContact O-OG1 2.73Å; H613-D717 WeakPolarHBondContact CB-OD1 3.38Å; H613-L718 HydrophobicContact CB-CB 4.3Å; H613-E739 IonicContact CD2-OE2 2.98Å; H613-E739 IonicContact CE1-OE2 2.77Å; H613-E739 IonicContact NE2-OE1 3.27Å; H613-E739 IonicContact NE2-OE2 2.7Å; H613-E739 PolarHBondContact NE2-OE2 2.9Å
614	R	97.9	Very high	97.1	Very high	118 Å²	118	29.5 Å²	29.5	45%	0.445	15%	0.153	S	C	.	.	S	Bend	trans	-68.1	-53.6	175.8	174.9	176.4	170.9	155.6	-12	110.6	E644 R714 D717	R614-E644 PolarHBondContact O-N 2.98Å; R614-R714 WeakPolarHBondContact CD-O 3.48Å; R614-R714 PolarHBondContact NE-O 2.86Å; R614-D717 PolarHBondContact N-OD1 3.19Å; R614-D717 PolarHBondContact N-OD2 3.15Å
615	C	98.6	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	127.6	-178.9	173.8	0	0	0	0	110.7	E644 R714 T716 D717 L718	C615-E644 CarbonylContact C-O 3.49Å; C615-E644 VanDerWaalsContact CA-O 3.23Å; C615-E644 WeakPolarHBondContact CA-O 3.49Å; C615-E644 HydrophobicContact CB-CB 4.18Å; C615-R714 HydrophobicContact CB-CB 4Å; C615-T716 WeakPolarHBondContact O-CA 3.38Å; C615-T716 WeakPolarHBondContact O-CG2 3.36Å; C615-T716 PolarHBondContact SG-OG1 3.42Å; C615-D717 PolarHBondContact N-OD1 3.02Å; C615-D717 PolarHBondContact O-N 2.81Å; C615-L718 PolarHBondContact O-N 2.87Å
616	A	98.8	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.1	173.4	0	0	0	0	0	110.5	L638 T643 E644 V645 V646 L718	A616-L638 HydrophobicContact CB-CD1 4.04Å; A616-T643 HydrophobicContact CB-CG2 3.95Å; A616-E644 PolarHBondContact N-O 3.05Å; A616-V645 CarbonylContact O-C 3.58Å; A616-V645 WeakPolarHBondContact O-CA 2.96Å; A616-V646 PolarHBondContact O-N 3.4Å; A616-L718 CarbonylContact C-O 3.51Å; A616-L718 WeakPolarHBondContact CA-O 3.39Å; A616-L718 HydrophobicContact CB-CB 4.23Å; A616-L718 HydrophobicContact CB-CD2 3.96Å; A616-L718 HydrophobicContact CB-CG 4.3Å
617	L	98.8	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.8	165.6	170.2	63.1	0	0	0	108.6	L420 F619 V646 A648 L707 V711 T716 L718 V719 I720	L420-L617 HydrophobicContact CD1-CD2 3.86Å; L617-F619 HydrophobicContact CD1-CE2 4.44Å; L617-F619 HydrophobicContact CD1-CZ 4.46Å; L617-F619 HydrophobicContact CD2-CD2 4.39Å; L617-F619 HydrophobicContact CD2-CE2 3.44Å; L617-F619 VanDerWaalsContact CD2-CE2 3.44Å; L617-F619 HydrophobicContact CD2-CZ 3.63Å; L617-F619 HydrophobicContact CG-CD2 4.24Å; L617-F619 HydrophobicContact CG-CE2 3.75Å; L617-F619 HydrophobicContact CG-CZ 4.16Å; L617-V646 HydrophobicContact CD1-CB 4.1Å; L617-V646 HydrophobicContact CD1-CG1 3.85Å; L617-A648 HydrophobicContact CD1-CB 3.83Å; L617-L707 HydrophobicContact CD1-CD1 3.75Å; L617-V711 HydrophobicContact CD2-CG2 3.72Å; L617-T716 HydrophobicContact CB-CG2 3.71Å; L617-L718 PolarHBondContact N-O 3.24Å; L617-V719 HydrophobicContact CB-CG2 4.33Å; L617-V719 HydrophobicContact CD2-CG2 4.3Å; L617-V719 CarbonylContact O-C 3.52Å; L617-V719 WeakPolarHBondContact O-CA 3.4Å; L617-I720 PolarHBondContact O-N 3.12Å
618	F	98.8	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.8	-178.1	-161.1	145.1	0	0	0	109.9	V620 V631 F634 V635 V646 L647 A648 I720 E722 M743	F618-V620 HydrophobicContact CD2-CG1 3.9Å; F618-V620 HydrophobicContact CE2-CG1 4.22Å; F618-V631 HydrophobicContact CD1-CG1 4.36Å; F618-V631 HydrophobicContact CE1-CG1 3.95Å; F618-V631 HydrophobicContact CE2-CG1 4.17Å; F618-V631 HydrophobicContact CE2-CG2 4.25Å; F618-V631 HydrophobicContact CZ-CB 4.42Å; F618-V631 HydrophobicContact CZ-CG1 3.86Å; F618-V631 HydrophobicContact CZ-CG2 3.99Å; F618-F634 HydrophobicContact CD1-CD1 4.42Å; F618-F634 AromaticContact CE1-CD1 3.74Å; F618-F634 HydrophobicContact CE1-CD1 3.74Å; F618-F634 HydrophobicContact CE1-CE1 4.12Å; F618-V635 HydrophobicContact CD1-CG2 4.21Å; F618-V646 PolarHBondContact N-O 2.96Å; F618-L647 HydrophobicContact CB-CD2 3.72Å; F618-L647 HydrophobicContact CG-CD2 4.2Å; F618-A648 PolarHBondContact O-N 3.46Å; F618-I720 WeakPolarHBondContact CA-O 3.28Å; F618-I720 HydrophobicContact CB-CB 4.25Å; F618-I720 HydrophobicContact CD1-CB 4.06Å; F618-I720 HydrophobicContact CD1-CD1 3.82Å; F618-I720 HydrophobicContact CD1-CG1 4.5Å; F618-I720 HydrophobicContact CD1-CG2 4Å; F618-I720 HydrophobicContact CD2-CB 4.12Å; F618-I720 HydrophobicContact CD2-CG2 3.96Å; F618-I720 HydrophobicContact CE1-CB 4.45Å; F618-I720 HydrophobicContact CE1-CD1 4.19Å; F618-I720 HydrophobicContact CE1-CG2 3.88Å; F618-I720 HydrophobicContact CE2-CG2 3.86Å; F618-I720 HydrophobicContact CG-CB 3.86Å; F618-I720 HydrophobicContact CG-CD1 4.4Å; F618-I720 HydrophobicContact CG-CG2 4.02Å; F618-I720 HydrophobicContact CZ-CG2 3.8Å; F618-E722 HydrophobicContact CE2-CB 3.55Å; F618-E722 HydrophobicContact CE2-CG 4.21Å; F618-E722 HydrophobicContact CZ-CB 4.23Å; F618-M743 HydrophobicContact CE1-CE 4.4Å; F618-M743 HydrophobicContact CZ-CE 3.87Å
619	F	98.6	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.9	169.2	-65.7	-85	0	0	0	110.4	L617 A648 D691 L698 L700 L703 L707 V719 I720 I721 E722	L617-F619 HydrophobicContact CD1-CE2 4.44Å; L617-F619 HydrophobicContact CD1-CZ 4.46Å; L617-F619 HydrophobicContact CD2-CD2 4.39Å; L617-F619 HydrophobicContact CD2-CE2 3.44Å; L617-F619 VanDerWaalsContact CD2-CE2 3.44Å; L617-F619 HydrophobicContact CD2-CZ 3.63Å; L617-F619 HydrophobicContact CG-CD2 4.24Å; L617-F619 HydrophobicContact CG-CE2 3.75Å; L617-F619 HydrophobicContact CG-CZ 4.16Å; F619-A648 WeakPolarHBondContact CA-O 3.26Å; F619-A648 HydrophobicContact CD1-CB 3.57Å; F619-A648 HydrophobicContact CE1-CB 3.76Å; F619-A648 HydrophobicContact CG-CB 4.23Å; F619-D691 HydrophobicContact CD1-CB 4.42Å; F619-D691 HydrophobicContact CE1-CB 4.21Å; F619-L698 HydrophobicContact CB-CD2 3.92Å; F619-L698 HydrophobicContact CD1-CD1 3.9Å; F619-L698 HydrophobicContact CD1-CD2 3.61Å; F619-L698 HydrophobicContact CD1-CG 4.43Å; F619-L698 HydrophobicContact CD2-CD2 3.89Å; F619-L698 HydrophobicContact CE1-CD1 3.95Å; F619-L698 HydrophobicContact CE1-CD2 4.02Å; F619-L698 HydrophobicContact CE2-CD2 4.26Å; F619-L698 HydrophobicContact CG-CD2 3.53Å; F619-L698 HydrophobicContact CZ-CD2 4.32Å; F619-L700 HydrophobicContact CE2-CD2 3.94Å; F619-L700 HydrophobicContact CZ-CD2 3.85Å; F619-L703 HydrophobicContact CE1-CD1 4.28Å; F619-L703 HydrophobicContact CE1-CD2 4.1Å; F619-L703 HydrophobicContact CZ-CD1 3.86Å; F619-L703 HydrophobicContact CZ-CD2 4.43Å; F619-L707 HydrophobicContact CE1-CD2 3.94Å; F619-L707 HydrophobicContact CZ-CD2 4.29Å; F619-V719 HydrophobicContact CD2-CG1 4.29Å; F619-V719 HydrophobicContact CE2-CG1 4.1Å; F619-I720 PolarHBondContact N-O 3.19Å; F619-I721 HydrophobicContact CD2-CG1 4.19Å; F619-E722 PolarHBondContact O-N 2.89Å
620	V	97.4	Very high	96.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.			trans	-96.3	151.9	-174.5	-57.9	0	0	0	0	112.1	F618 I627 V631 L647 A648 V658 R726	F618-V620 HydrophobicContact CD2-CG1 3.9Å; F618-V620 HydrophobicContact CE2-CG1 4.22Å; V620-I627 HydrophobicContact CB-CD1 4.16Å; V620-I627 HydrophobicContact CG1-CD1 3.92Å; V620-I627 HydrophobicContact CG2-CD1 4.42Å; V620-V631 HydrophobicContact CG1-CG1 3.89Å; V620-L647 HydrophobicContact CG1-CD2 4.27Å; V620-A648 WeakPolarHBondContact CG2-O 3.45Å; V620-A648 PolarHBondContact N-O 3.21Å; V620-V658 HydrophobicContact CB-CG1 4.32Å; V620-V658 HydrophobicContact CG2-CG1 3.41Å; V620-V658 VanDerWaalsContact CG2-CG1 3.41Å; V620-R726 VanDerWaalsContact O-CZ 3.27Å; V620-R726 PolarHBondContact O-NE 2.76Å
621	D	95.6	Very high	97	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.081	C	C	.	.			trans	-101.4	-94.4	-177.6	-157.7	37.4	0	0	0	111.1	N563 D657 V658 E722 G723 R726	N563-D621 PolarHBondContact ND2-OD2 2.77Å; D621-D657 WeakPolarHBondContact O-CA 3.32Å; D621-D657 WeakPolarHBondContact O-CB 3.42Å; D621-V658 PolarHBondContact O-N 2.98Å; D621-E722 WeakPolarHBondContact CA-OE2 3.19Å; D621-E722 VanDerWaalsContact CB-CD 3.48Å; D621-E722 WeakPolarHBondContact CB-OE1 3.35Å; D621-E722 WeakPolarHBondContact CB-OE2 3.31Å; D621-E722 PolarHBondContact N-OE2 3.4Å; D621-G723 WeakPolarHBondContact OD2-CA 3.2Å; D621-R726 IonicContact OD1-CZ 3.51Å; D621-R726 IonicContact OD1-NH1 3.11Å; D621-R726 PolarHBondContact OD1-NH1 3.03Å
622	N	96.3	Very high	97.1	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-91.5	155.4	-164.3	-55	-80.2	0	0	0	114.2	N563 D626 I627 N656	N563-N622 PolarHBondContact ND2-ND2 3.07Å; N622-D626 HydrophobicContact CB-CB 3.75Å; N622-D626 VanDerWaalsContact CB-OD2 3.31Å; N622-D626 WeakPolarHBondContact CB-OD2 3.43Å; N622-D626 PolarHBondContact N-OD2 3.09Å; N622-D626 PolarHBondContact ND2-OD2 2.95Å; N622-I627 WeakPolarHBondContact O-CB 3.08Å; N622-I627 WeakPolarHBondContact O-CG2 3.28Å; N622-I627 PolarHBondContact O-N 2.88Å; N622-N656 PolarHBondContact OD1-ND2 2.68Å; N622-N656 PolarHBondContact OD1-OD1 3.11Å
623	S	95.9	Very high	97.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	174.8	163.9	-65.2	0	0	0	0	112.2	K525 N656 V658	K525-S623 WeakPolarHBondContact CD-OG 3.33Å; S623-N656 WeakPolarHBondContact CB-O 3.4Å; S623-N656 PolarHBondContact N-O 3.03Å; S623-N656 PolarHBondContact OG-O 3.31Å; S623-V658 WeakPolarHBondContact OG-CA 3.28Å
624	G	94.6	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-130.7	170.9	0	0	0	0	0	113.1	N529 D626 I628	N529-G624 VanDerWaalsContact OD1-CA 3.31Å; N529-G624 WeakPolarHBondContact OD1-CA 3.42Å; N529-G624 PolarHBondContact OD1-N 3.31Å; G624-D626 PolarHBondContact O-N 3.44Å; G624-I628 VanDerWaalsContact O-CB 3.3Å; G624-I628 WeakPolarHBondContact O-CB 3.38Å; G624-I628 WeakPolarHBondContact O-CD1 3.35Å; G624-I628 PolarHBondContact O-N 3.25Å
625	V	93.2	Very high	97.2	Very high	17 Å²	17	2.4 Å²	2.4	10%	0.103	1%	0.013	C	C	.	.	H	α-helix	trans	-58.1	-35.2	-175.2	175.6	0	0	0	0	111.7	A532 F565 F584 L629 G630	A532-V625 HydrophobicContact CB-CG2 4.33Å; F565-V625 HydrophobicContact CD2-CB 4.06Å; F565-V625 HydrophobicContact CD2-CG1 4.03Å; F565-V625 HydrophobicContact CE2-CB 4.27Å; F565-V625 HydrophobicContact CE2-CG1 3.92Å; F565-V625 HydrophobicContact CE2-CG2 4.47Å; F565-V625 HydrophobicContact CG-CB 4.37Å; F565-V625 HydrophobicContact CZ-CG2 4.48Å; F584-V625 HydrophobicContact CB-CG1 3.96Å; F584-V625 HydrophobicContact CD2-CG1 3.18Å; F584-V625 HydrophobicContact CE2-CG1 3.73Å; F584-V625 HydrophobicContact CG-CG1 3.77Å; V625-L629 HydrophobicContact CG1-CB 4.27Å; V625-L629 HydrophobicContact CG1-CD1 4.22Å; V625-L629 WeakPolarHBondContact O-CA 3.24Å; V625-L629 WeakPolarHBondContact O-CB 3.43Å; V625-L629 PolarHBondContact O-N 3.42Å; V625-G630 PolarHBondContact O-N 2.98Å
626	D	95.8	Very high	97.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	I	π-helix	trans	-61.1	-68.7	-179.2	-165.7	-4.8	0	0	0	112.1	N563 N622 G624 I628 G630 V631	N563-D626 WeakPolarHBondContact CA-OD2 3.35Å; N563-D626 PolarHBondContact ND2-OD2 3.48Å; N622-D626 HydrophobicContact CB-CB 3.75Å; N622-D626 VanDerWaalsContact CB-OD2 3.31Å; N622-D626 WeakPolarHBondContact CB-OD2 3.43Å; N622-D626 PolarHBondContact N-OD2 3.09Å; N622-D626 PolarHBondContact ND2-OD2 2.95Å; G624-D626 PolarHBondContact O-N 3.44Å; D626-I628 PolarHBondContact O-N 3.25Å; D626-G630 CarbonylContact O-C 3.53Å; D626-G630 VanDerWaalsContact O-CA 3.23Å; D626-G630 WeakPolarHBondContact O-CA 3.21Å; D626-G630 PolarHBondContact O-N 3.05Å; D626-V631 PolarHBondContact O-N 3.15Å
627	I	97.4	Very high	97.1	Very high	2 Å²	2	4.5 Å²	4.5	1%	0.01	2%	0.022	C	C	.	.	I	π-helix	trans	-61.7	-43.8	179.3	-173.4	59.1	0	0	0	112.7	V620 N622 V631 M632 V658 L663 L666	V620-I627 HydrophobicContact CB-CD1 4.16Å; V620-I627 HydrophobicContact CG1-CD1 3.92Å; V620-I627 HydrophobicContact CG2-CD1 4.42Å; N622-I627 WeakPolarHBondContact O-CB 3.08Å; N622-I627 WeakPolarHBondContact O-CG2 3.28Å; N622-I627 PolarHBondContact O-N 2.88Å; I627-V631 HydrophobicContact CD1-CB 3.86Å; I627-V631 HydrophobicContact CD1-CG1 3.77Å; I627-V631 HydrophobicContact CD1-CG2 4.41Å; I627-M632 WeakPolarHBondContact O-CB 3.45Å; I627-M632 WeakPolarHBondContact O-CG 3.4Å; I627-M632 PolarHBondContact O-N 2.63Å; I627-V658 HydrophobicContact CG1-CG1 4.48Å; I627-L663 HydrophobicContact CD1-CD1 3.84Å; I627-L663 HydrophobicContact CG1-CD1 3.81Å; I627-L666 HydrophobicContact CG2-CD1 4.03Å
628	I	97.3	Very high	97.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	I	π-helix	trans	-80.5	-45.6	-172	-66.3	151.8	0	0	0	112.8	N529 A532 L533 Y536 G624 D626 P633 L666 I670	N529-I628 HydrophobicContact CB-CD1 4.17Å; A532-I628 HydrophobicContact CB-CB 3.9Å; A532-I628 HydrophobicContact CB-CD1 3.69Å; A532-I628 HydrophobicContact CB-CG1 4.42Å; A532-I628 HydrophobicContact CB-CG2 4Å; L533-I628 HydrophobicContact CD2-CD1 4.28Å; L533-I628 HydrophobicContact CD2-CG1 4.34Å; L533-I628 HydrophobicContact CD2-CG2 4.19Å; L533-I628 HydrophobicContact CG-CD1 3.93Å; Y536-I628 HydrophobicContact CD2-CG2 3.81Å; Y536-I628 WeakPolarHBondContact CD2-O 3.47Å; Y536-I628 VanDerWaalsContact CE2-O 3.32Å; Y536-I628 WeakPolarHBondContact CE2-O 3.35Å; Y536-I628 HydrophobicContact CG-CG2 4.41Å; G624-I628 VanDerWaalsContact O-CB 3.3Å; G624-I628 WeakPolarHBondContact O-CB 3.38Å; G624-I628 WeakPolarHBondContact O-CD1 3.35Å; G624-I628 PolarHBondContact O-N 3.25Å; D626-I628 PolarHBondContact O-N 3.25Å; I628-P633 VanDerWaalsContact O-CD 3.32Å; I628-P633 WeakPolarHBondContact O-CD 3.33Å; I628-L666 HydrophobicContact CD1-CD1 4.44Å; I628-L666 HydrophobicContact CD1-CD2 4.13Å; I628-I670 HydrophobicContact CG1-CD1 4.26Å; I628-I670 HydrophobicContact CG2-CD1 4.32Å
629	L	95.8	Very high	97.1	Very high	10 Å²	10	4.8 Å²	4.8	5%	0.052	2%	0.023	C	C	.	.	I	π-helix	trans	-102.4	-16	-173.3	-58.3	179.9	0	0	0	113.5	A532 Y536 A539 F584 V625	A532-L629 HydrophobicContact CB-CD1 4.31Å; A532-L629 HydrophobicContact CB-CG 4.23Å; Y536-L629 HydrophobicContact CD2-CD2 4.48Å; A539-L629 HydrophobicContact CB-CD2 4.07Å; F584-L629 HydrophobicContact CD1-CB 4.36Å; F584-L629 HydrophobicContact CD1-CD1 4.16Å; F584-L629 HydrophobicContact CE1-CB 3.95Å; F584-L629 HydrophobicContact CE2-CB 4.36Å; F584-L629 HydrophobicContact CG-CD1 4.35Å; F584-L629 HydrophobicContact CZ-CB 3.94Å; V625-L629 HydrophobicContact CG1-CB 4.27Å; V625-L629 HydrophobicContact CG1-CD1 4.22Å; V625-L629 WeakPolarHBondContact O-CA 3.24Å; V625-L629 WeakPolarHBondContact O-CB 3.43Å; V625-L629 PolarHBondContact O-N 3.42Å
630	G	96.1	Very high	97	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	5%	0.045	C	C	.	.	I	π-helix	trans	-98.8	-70.6	174.1	0	0	0	0	0	112.2	V559 V625 D626 P633 F634	V559-G630 WeakPolarHBondContact CG2-O 3.2Å; V625-G630 PolarHBondContact O-N 2.98Å; D626-G630 CarbonylContact O-C 3.53Å; D626-G630 VanDerWaalsContact O-CA 3.23Å; D626-G630 WeakPolarHBondContact O-CA 3.21Å; D626-G630 PolarHBondContact O-N 3.05Å; G630-P633 WeakPolarHBondContact O-CD 3.44Å; G630-F634 PolarHBondContact O-N 3.45Å
631	V	98.2	Very high	97	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.053	C	C	.	.	I	π-helix	trans	-67.7	-49.8	-170.6	175.3	0	0	0	0	112.3	F618 V620 D626 I627 F634 V635	F618-V631 HydrophobicContact CD1-CG1 4.36Å; F618-V631 HydrophobicContact CE1-CG1 3.95Å; F618-V631 HydrophobicContact CE2-CG1 4.17Å; F618-V631 HydrophobicContact CE2-CG2 4.25Å; F618-V631 HydrophobicContact CZ-CB 4.42Å; F618-V631 HydrophobicContact CZ-CG1 3.86Å; F618-V631 HydrophobicContact CZ-CG2 3.99Å; V620-V631 HydrophobicContact CG1-CG1 3.89Å; D626-V631 PolarHBondContact O-N 3.15Å; I627-V631 HydrophobicContact CD1-CB 3.86Å; I627-V631 HydrophobicContact CD1-CG1 3.77Å; I627-V631 HydrophobicContact CD1-CG2 4.41Å; V631-F634 CarbonylContact O-C 3.54Å; V631-F634 WeakPolarHBondContact O-CA 3.48Å; V631-F634 WeakPolarHBondContact O-CB 3.21Å; V631-F634 PolarHBondContact O-N 3.47Å; V631-V635 HydrophobicContact CG1-CG2 3.87Å; V631-V635 VanDerWaalsContact O-CG2 3.29Å; V631-V635 WeakPolarHBondContact O-CG2 3.44Å; V631-V635 PolarHBondContact O-N 3.43Å
632	M	98.3	Very high	97.1	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-41.2	-174.9	-75.2	-67.2	-70.6	0	0	113.9	Y536 I627 F634 V635 R636 L647 T667 I670 I677	Y536-M632 HydrophobicContact CE2-CB 3.91Å; I627-M632 WeakPolarHBondContact O-CB 3.45Å; I627-M632 WeakPolarHBondContact O-CG 3.4Å; I627-M632 PolarHBondContact O-N 2.63Å; M632-F634 VanDerWaalsContact C-N 3.33Å; M632-F634 PolarHBondContact O-N 2.9Å; M632-V635 PolarHBondContact O-N 2.97Å; M632-R636 WeakPolarHBondContact O-CB 3.34Å; M632-R636 PolarHBondContact O-N 3.49Å; M632-L647 HydrophobicContact SD-CD1 4.1Å; M632-T667 HydrophobicContact CE-CG2 3.97Å; M632-I670 HydrophobicContact CB-CD1 4.1Å; M632-I670 HydrophobicContact CE-CB 4.07Å; M632-I670 HydrophobicContact CE-CD1 3.8Å; M632-I670 HydrophobicContact CE-CG2 3.67Å; M632-I670 HydrophobicContact CG-CD1 3.68Å; M632-I670 HydrophobicContact SD-CD1 4.47Å; M632-I677 HydrophobicContact CE-CD1 4.09Å; M632-I677 HydrophobicContact CE-CG1 4.18Å; M632-I677 HydrophobicContact CE-CG2 3.86Å
633	P	98.4	Very high	97.2	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.032	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-36.1	170.2	-27.4	37.6	0	0	0	113.6	Y536 L543 L555 I628 G630 R636 E637	Y536-P633 HydrophobicContact CE2-CG 4.12Å; L543-P633 HydrophobicContact CD1-CB 3.78Å; L555-P633 HydrophobicContact CD2-CB 3.77Å; L555-P633 WeakPolarHBondContact CD2-O 3.12Å; I628-P633 VanDerWaalsContact O-CD 3.32Å; I628-P633 WeakPolarHBondContact O-CD 3.33Å; G630-P633 WeakPolarHBondContact O-CD 3.44Å; P633-R636 WeakPolarHBondContact O-CB 3.17Å; P633-R636 PolarHBondContact O-N 2.9Å; P633-E637 PolarHBondContact O-N 3.04Å
634	F	98.4	Very high	97.3	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.035	9%	0.085	C	C	.	.	H	α-helix	trans	-66.8	-43.5	175.4	-173.5	-82	0	0	0	111.6	L555 V556 V559 W604 F618 G630 V631 M632 R636 E637 L638 I720 L741	L555-F634 HydrophobicContact CB-CD2 4.11Å; V556-F634 HydrophobicContact CG2-CE2 4.08Å; V559-F634 HydrophobicContact CG2-CB 3.81Å; V559-F634 HydrophobicContact CG2-CD2 4.11Å; V559-F634 HydrophobicContact CG2-CG 4.1Å; W604-F634 AromaticContact CZ2-CZ 3.93Å; W604-F634 HydrophobicContact CZ2-CZ 3.93Å; F618-F634 HydrophobicContact CD1-CD1 4.42Å; F618-F634 AromaticContact CE1-CD1 3.74Å; F618-F634 HydrophobicContact CE1-CD1 3.74Å; F618-F634 HydrophobicContact CE1-CE1 4.12Å; G630-F634 PolarHBondContact O-N 3.45Å; V631-F634 CarbonylContact O-C 3.54Å; V631-F634 WeakPolarHBondContact O-CA 3.48Å; V631-F634 WeakPolarHBondContact O-CB 3.21Å; V631-F634 PolarHBondContact O-N 3.47Å; M632-F634 VanDerWaalsContact C-N 3.33Å; M632-F634 PolarHBondContact O-N 2.9Å; F634-R636 VanDerWaalsContact C-N 3.32Å; F634-R636 PolarHBondContact O-N 3.43Å; F634-E637 WeakPolarHBondContact O-CB 3.14Å; F634-E637 PolarHBondContact O-N 3.42Å; F634-L638 HydrophobicContact CD1-CD1 4.13Å; F634-L638 HydrophobicContact CD1-CG 4.32Å; F634-L638 HydrophobicContact CE1-CD1 3.81Å; F634-L638 HydrophobicContact CE1-CD2 4.44Å; F634-L638 HydrophobicContact CE1-CG 4.09Å; F634-L638 PolarHBondContact O-N 3.45Å; F634-L638 VanDerWaalsContact O-N 3.17Å; F634-I720 HydrophobicContact CE1-CD1 3.72Å; F634-I720 HydrophobicContact CZ-CD1 4.43Å; F634-L741 HydrophobicContact CZ-CD2 4.17Å
635	V	98.6	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.3	169.3	0	0	0	0	110.9	F618 V631 M632 E637 L638 L639 V645 L647 L686	F618-V635 HydrophobicContact CD1-CG2 4.21Å; V631-V635 HydrophobicContact CG1-CG2 3.87Å; V631-V635 VanDerWaalsContact O-CG2 3.29Å; V631-V635 WeakPolarHBondContact O-CG2 3.44Å; V631-V635 PolarHBondContact O-N 3.43Å; M632-V635 PolarHBondContact O-N 2.97Å; V635-E637 VanDerWaalsContact C-N 3.29Å; V635-E637 PolarHBondContact O-N 2.78Å; V635-L638 PolarHBondContact O-N 3.17Å; V635-L639 HydrophobicContact CG1-CD1 3.73Å; V635-L639 HydrophobicContact CG1-CG 4.29Å; V635-L639 VanDerWaalsContact O-CG 3.31Å; V635-L639 WeakPolarHBondContact O-CG 3.42Å; V635-L639 PolarHBondContact O-N 3.09Å; V635-V645 HydrophobicContact CG1-CB 4.29Å; V635-V645 HydrophobicContact CG1-CG1 4Å; V635-V645 HydrophobicContact CG1-CG2 4.33Å; V635-V645 HydrophobicContact CG2-CG1 4.32Å; V635-L647 HydrophobicContact CG2-CD1 4.48Å; V635-L647 HydrophobicContact CG2-CD2 3.74Å; V635-L686 HydrophobicContact CG1-CD1 3.95Å
636	R	98.4	Very high	97.8	Very high	34 Å²	34	13.7 Å²	13.7	13%	0.128	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-41.5	175	-172.3	-169.6	-176.8	-101	1.7	112.4	E544 M632 P633 F634 L639 S640 D674 V676 I677	E544-R636 IonicContact OE1-CZ 2.7Å; E544-R636 IonicContact OE1-NH1 3.37Å; E544-R636 PolarHBondContact OE1-NH1 3.34Å; E544-R636 IonicContact OE1-NH2 3.09Å; E544-R636 PolarHBondContact OE1-NH2 2.74Å; M632-R636 WeakPolarHBondContact O-CB 3.34Å; M632-R636 PolarHBondContact O-N 3.49Å; P633-R636 WeakPolarHBondContact O-CB 3.17Å; P633-R636 PolarHBondContact O-N 2.9Å; F634-R636 VanDerWaalsContact C-N 3.32Å; F634-R636 PolarHBondContact O-N 3.43Å; R636-L639 PolarHBondContact O-N 3.35Å; R636-S640 WeakPolarHBondContact O-CB 3.36Å; R636-S640 PolarHBondContact O-N 3.34Å; R636-S640 PolarHBondContact O-OG 3.24Å; R636-D674 WeakPolarHBondContact CD-OD2 3.43Å; R636-D674 IonicContact CZ-OD2 2.68Å; R636-D674 IonicContact NE-OD1 3.69Å; R636-D674 PolarHBondContact NE-OD1 2.93Å; R636-D674 IonicContact NE-OD2 2.77Å; R636-D674 PolarHBondContact NE-OD2 3Å; R636-V676 HydrophobicContact CG-CB 3.95Å; R636-V676 HydrophobicContact CG-CG1 3.84Å; R636-V676 HydrophobicContact CG-CG2 4.46Å; R636-I677 HydrophobicContact CB-CD1 4.01Å; R636-I677 HydrophobicContact CG-CD1 4.37Å
637	E	98.1	Very high	97.9	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-66	-43	177.2	-177	69.6	-172.8	0	0	111.8	R551 Q552 L555 P633 F634 V635 S640 R641	R551-E637 IonicContact CZ-OE1 2.81Å; R551-E637 IonicContact CZ-OE2 3.34Å; R551-E637 VanDerWaalsContact CZ-OE2 3.26Å; R551-E637 IonicContact NE-OE1 3.98Å; R551-E637 PolarHBondContact NE-OE1 2.8Å; R551-E637 IonicContact NE-OE2 3.8Å; R551-E637 PolarHBondContact NE-OE2 3.25Å; R551-E637 VanDerWaalsContact NE-OE2 3.11Å; R551-E637 VanDerWaalsContact NH2-CD 3.34Å; R551-E637 IonicContact NH2-OE1 2.81Å; R551-E637 PolarHBondContact NH2-OE1 2.83Å; R551-E637 IonicContact NH2-OE2 3.78Å; R551-E637 PolarHBondContact NH2-OE2 2.99Å; R551-E637 VanDerWaalsContact NH2-OE2 3.09Å; Q552-E637 PolarHBondContact NE2-OE1 2.95Å; L555-E637 HydrophobicContact CD1-CB 3.52Å; L555-E637 HydrophobicContact CD1-CG 3.57Å; P633-E637 PolarHBondContact O-N 3.04Å; F634-E637 WeakPolarHBondContact O-CB 3.14Å; F634-E637 PolarHBondContact O-N 3.42Å; V635-E637 VanDerWaalsContact C-N 3.29Å; V635-E637 PolarHBondContact O-N 2.78Å; E637-S640 PolarHBondContact O-N 2.92Å; E637-R641 WeakPolarHBondContact O-CG 3.36Å; E637-R641 PolarHBondContact O-N 3.32Å; E637-R641 VanDerWaalsContact O-N 3.07Å
638	L	98.4	Very high	97.9	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-47.6	174.6	-67.7	-178.3	0	0	0	111.5	A616 F634 V635 S640 R641 G642 T643 V645 I720	A616-L638 HydrophobicContact CB-CD1 4.04Å; F634-L638 HydrophobicContact CD1-CD1 4.13Å; F634-L638 HydrophobicContact CD1-CG 4.32Å; F634-L638 HydrophobicContact CE1-CD1 3.81Å; F634-L638 HydrophobicContact CE1-CD2 4.44Å; F634-L638 HydrophobicContact CE1-CG 4.09Å; F634-L638 PolarHBondContact O-N 3.45Å; F634-L638 VanDerWaalsContact O-N 3.17Å; V635-L638 PolarHBondContact O-N 3.17Å; L638-S640 VanDerWaalsContact C-N 3.31Å; L638-S640 PolarHBondContact O-N 2.94Å; L638-R641 PolarHBondContact O-N 2.96Å; L638-R641 VanDerWaalsContact O-N 3.13Å; L638-G642 PolarHBondContact O-N 3.06Å; L638-T643 HydrophobicContact CB-CG2 4.49Å; L638-T643 WeakPolarHBondContact O-CB 3.24Å; L638-T643 PolarHBondContact O-N 2.66Å; L638-V645 HydrophobicContact CB-CG2 3.98Å; L638-V645 HydrophobicContact CD1-CG2 4.24Å; L638-I720 HydrophobicContact CD1-CD1 4.04Å
639	L	98.5	Very high	97.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-39.1	178	-70.9	167.3	0	0	0	112.1	V635 R636 R641 G642 V645 V676 I677 A680 R685 L686	V635-L639 HydrophobicContact CG1-CD1 3.73Å; V635-L639 HydrophobicContact CG1-CG 4.29Å; V635-L639 VanDerWaalsContact O-CG 3.31Å; V635-L639 WeakPolarHBondContact O-CG 3.42Å; V635-L639 PolarHBondContact O-N 3.09Å; R636-L639 PolarHBondContact O-N 3.35Å; L639-R641 VanDerWaalsContact C-N 3.27Å; L639-R641 PolarHBondContact O-N 3.18Å; L639-G642 PolarHBondContact O-N 2.69Å; L639-G642 VanDerWaalsContact O-N 3.11Å; L639-V645 HydrophobicContact CD2-CB 4.32Å; L639-V645 HydrophobicContact CD2-CG2 3.99Å; L639-V645 HydrophobicContact CG-CG2 4.04Å; L639-V676 HydrophobicContact CB-CG1 4.26Å; L639-I677 HydrophobicContact CD1-CD1 3.8Å; L639-A680 HydrophobicContact CD1-CB 3.64Å; L639-A680 HydrophobicContact CD2-CB 3.71Å; L639-A680 HydrophobicContact CG-CB 4.18Å; L639-R685 HydrophobicContact CD2-CB 4.17Å; L639-R685 PolarHBondContact O-NH1 3.15Å; L639-R685 PolarHBondContact O-NH2 2.89Å; L639-L686 HydrophobicContact CD1-CB 4.26Å; L639-L686 HydrophobicContact CD1-CD2 4.3Å; L639-L686 HydrophobicContact CD2-CB 4.31Å
640	S	97.3	Very high	97.9	Very high	65 Å²	65	13.1 Å²	13.1	46%	0.455	8%	0.077	S	C	.	.	H	α-helix	trans	-67.3	-28.6	177.2	-60.9	0	0	0	0	112.5	R636 E637 L638 G642	R636-S640 WeakPolarHBondContact O-CB 3.36Å; R636-S640 PolarHBondContact O-N 3.34Å; R636-S640 PolarHBondContact O-OG 3.24Å; E637-S640 PolarHBondContact O-N 2.92Å; L638-S640 VanDerWaalsContact C-N 3.31Å; L638-S640 PolarHBondContact O-N 2.94Å; S640-G642 VanDerWaalsContact C-N 3.28Å
641	R	95.8	Very high	97.8	Very high	46 Å²	46	14.7 Å²	14.7	17%	0.174	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.2	173.2	-71.3	177.3	63.1	-138.1	-7	113.5	L608 P612 E637 L638 L639	L608-R641 PolarHBondContact O-NH2 2.98Å; P612-R641 HydrophobicContact CB-CB 4.4Å; P612-R641 VanDerWaalsContact CB-O 3.24Å; P612-R641 WeakPolarHBondContact CB-O 3.35Å; P612-R641 WeakPolarHBondContact CG-O 3.5Å; E637-R641 WeakPolarHBondContact O-CG 3.36Å; E637-R641 PolarHBondContact O-N 3.32Å; E637-R641 VanDerWaalsContact O-N 3.07Å; L638-R641 PolarHBondContact O-N 2.96Å; L638-R641 VanDerWaalsContact O-N 3.13Å; L639-R641 VanDerWaalsContact C-N 3.27Å; L639-R641 PolarHBondContact O-N 3.18Å
642	G	97.6	Very high	97.4	Very high	43 Å²	43	15.1 Å²	15.1	44%	0.443	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	4.8	178.2	0	0	0	0	0	114.7	L638 L639 S640	L638-G642 PolarHBondContact O-N 3.06Å; L639-G642 PolarHBondContact O-N 2.69Å; L639-G642 VanDerWaalsContact O-N 3.11Å; S640-G642 VanDerWaalsContact C-N 3.28Å
643	T	98.5	Very high	97.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.1	C	C	.	.			trans	-76.4	132.2	175.7	-63.6	0	0	0	0	110.4	H613 A616 L638	H613-T643 HydrophobicContact CB-CG2 3.88Å; H613-T643 PolarHBondContact N-OG1 3.17Å; H613-T643 VanDerWaalsContact O-CA 3.3Å; H613-T643 WeakPolarHBondContact O-CA 3.36Å; H613-T643 VanDerWaalsContact O-CB 3.3Å; H613-T643 WeakPolarHBondContact O-CB 3.49Å; H613-T643 WeakPolarHBondContact O-CG2 3.26Å; H613-T643 PolarHBondContact O-OG1 2.73Å; A616-T643 HydrophobicContact CB-CG2 3.95Å; L638-T643 HydrophobicContact CB-CG2 4.49Å; L638-T643 WeakPolarHBondContact O-CB 3.24Å; L638-T643 PolarHBondContact O-N 2.66Å
644	E	98.6	Very high	96.8	Very high	53 Å²	53	16 Å²	16	25%	0.248	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145	167.4	-64.7	179.6	-163.7	0	0	109.5	R614 C615 A616 R685 R714	R614-E644 PolarHBondContact O-N 2.98Å; C615-E644 CarbonylContact C-O 3.49Å; C615-E644 VanDerWaalsContact CA-O 3.23Å; C615-E644 WeakPolarHBondContact CA-O 3.49Å; C615-E644 HydrophobicContact CB-CB 4.18Å; A616-E644 PolarHBondContact N-O 3.05Å; E644-R685 CarbonylContact C-O 3.54Å; E644-R685 WeakPolarHBondContact CA-O 3.43Å; E644-R685 HydrophobicContact CG-CB 4.31Å; E644-R685 HydrophobicContact CG-CG 4.39Å; E644-R714 WeakPolarHBondContact OE2-CD 3.43Å; E644-R714 IonicContact OE2-CZ 2.68Å; E644-R714 IonicContact OE2-NE 3.9Å; E644-R714 IonicContact OE2-NH1 3.63Å; E644-R714 PolarHBondContact OE2-NH1 3.31Å
645	V	98.8	Very high	96.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.4	-176.6	-177.5	0	0	0	0	110.4	A616 V635 L638 L639 L647 R685 L686 T687	A616-V645 CarbonylContact O-C 3.58Å; A616-V645 WeakPolarHBondContact O-CA 2.96Å; V635-V645 HydrophobicContact CG1-CB 4.29Å; V635-V645 HydrophobicContact CG1-CG1 4Å; V635-V645 HydrophobicContact CG1-CG2 4.33Å; V635-V645 HydrophobicContact CG2-CG1 4.32Å; L638-V645 HydrophobicContact CB-CG2 3.98Å; L638-V645 HydrophobicContact CD1-CG2 4.24Å; L639-V645 HydrophobicContact CD2-CB 4.32Å; L639-V645 HydrophobicContact CD2-CG2 3.99Å; L639-V645 HydrophobicContact CG-CG2 4.04Å; V645-L647 HydrophobicContact CG1-CD2 3.78Å; V645-L647 HydrophobicContact CG1-CG 4.24Å; V645-R685 PolarHBondContact N-O 3.37Å; V645-L686 HydrophobicContact CB-CD1 4.03Å; V645-L686 HydrophobicContact CG1-CD1 4.11Å; V645-L686 CarbonylContact O-C 3.49Å; V645-L686 WeakPolarHBondContact O-CA 3.47Å; V645-T687 PolarHBondContact O-N 3.5Å
646	V	98.8	Very high	96.2	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.7	167.9	179.6	0	0	0	0	107.7	A616 L617 F618 T687 V689 L707 L710	A616-V646 PolarHBondContact O-N 3.4Å; L617-V646 HydrophobicContact CD1-CB 4.1Å; L617-V646 HydrophobicContact CD1-CG1 3.85Å; F618-V646 PolarHBondContact N-O 2.96Å; V646-T687 CarbonylContact C-O 3.34Å; V646-T687 WeakPolarHBondContact CA-O 3.14Å; V646-V689 HydrophobicContact CG1-CB 4.41Å; V646-V689 HydrophobicContact CG1-CG2 4.08Å; V646-L707 HydrophobicContact CG1-CD1 3.9Å; V646-L710 HydrophobicContact CB-CD2 4.37Å; V646-L710 HydrophobicContact CG1-CD2 3.71Å; V646-L710 HydrophobicContact CG2-CD2 3.67Å; V646-L710 HydrophobicContact CG2-CG 4.13Å
647	L	98.5	Very high	96.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.4	171.6	-63.5	-173.8	0	0	0	109.5	F618 V620 M632 V635 V645 L663 L686 T687 L688 V689	F618-L647 HydrophobicContact CB-CD2 3.72Å; F618-L647 HydrophobicContact CG-CD2 4.2Å; V620-L647 HydrophobicContact CG1-CD2 4.27Å; M632-L647 HydrophobicContact SD-CD1 4.1Å; V635-L647 HydrophobicContact CG2-CD1 4.48Å; V635-L647 HydrophobicContact CG2-CD2 3.74Å; V645-L647 HydrophobicContact CG1-CD2 3.78Å; V645-L647 HydrophobicContact CG1-CG 4.24Å; L647-L663 HydrophobicContact CB-CD2 3.93Å; L647-L663 HydrophobicContact CD1-CD1 4.43Å; L647-L663 HydrophobicContact CD1-CD2 4.4Å; L647-L686 HydrophobicContact CD1-CD1 4.08Å; L647-L686 HydrophobicContact CG-CD1 3.94Å; L647-T687 PolarHBondContact N-O 3.29Å; L647-L688 HydrophobicContact CB-CD2 3.85Å; L647-L688 HydrophobicContact CD1-CD2 3.79Å; L647-L688 HydrophobicContact CG-CD2 4.12Å; L647-V689 PolarHBondContact O-N 2.78Å; L647-V689 VanDerWaalsContact O-O 3.06Å
648	A	98.3	Very high	96	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.5	177.3	0	0	0	0	0	110.2	L617 F618 F619 V620 V689 D691 L707	L617-A648 HydrophobicContact CD1-CB 3.83Å; F618-A648 PolarHBondContact O-N 3.46Å; F619-A648 WeakPolarHBondContact CA-O 3.26Å; F619-A648 HydrophobicContact CD1-CB 3.57Å; F619-A648 HydrophobicContact CE1-CB 3.76Å; F619-A648 HydrophobicContact CG-CB 4.23Å; V620-A648 WeakPolarHBondContact CG2-O 3.45Å; V620-A648 PolarHBondContact N-O 3.21Å; A648-V689 VanDerWaalsContact CA-O 3.26Å; A648-V689 WeakPolarHBondContact CA-O 3.37Å; A648-D691 HydrophobicContact CB-CB 4.48Å; A648-L707 HydrophobicContact CB-CD1 4.27Å; A648-L707 HydrophobicContact CB-CD2 3.88Å
649	S	97.4	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	165.6	-178.8	59.1	0	0	0	0	112	N660 V689 Q690 D691	S649-N660 WeakPolarHBondContact OG-CA 3.48Å; S649-N660 WeakPolarHBondContact OG-CB 3.47Å; S649-N660 PolarHBondContact OG-N 3.43Å; S649-V689 PolarHBondContact N-O 3.12Å; S649-V689 VanDerWaalsContact N-O 3.1Å; S649-Q690 CarbonylContact O-C 3.59Å; S649-Q690 WeakPolarHBondContact O-CA 3.46Å; S649-D691 VanDerWaalsContact O-CG 3.3Å; S649-D691 PolarHBondContact O-N 2.79Å
650	N	95.9	Very high	95.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-58.5	144	-177.3	-80.9	6.7	0	0	0	112.9	G652 D657 V658 T659 N660 D691 S695 R726	N650-G652 VanDerWaalsContact CB-O 3.32Å; N650-G652 WeakPolarHBondContact CB-O 3.3Å; N650-D657 PolarHBondContact ND2-OD2 3.47Å; N650-V658 PolarHBondContact N-O 3.03Å; N650-T659 CarbonylContact O-C 3.55Å; N650-T659 WeakPolarHBondContact O-CA 3.19Å; N650-N660 PolarHBondContact O-N 2.82Å; N650-D691 WeakPolarHBondContact CA-OD1 3.38Å; N650-D691 PolarHBondContact OD1-OD2 3.03Å; N650-S695 PolarHBondContact ND2-O 3.47Å; N650-R726 PolarHBondContact ND2-NH2 3.24Å; N650-R726 PolarHBondContact OD1-NH2 3.26Å
651	S	92.3	Very high	95.5	Very high	34 Å²	34	14.3 Å²	14.3	24%	0.238	9%	0.093	C	C	.	.	S	Bend	trans	-76.2	-33.9	172.6	-62.5	0	0	0	0	112.7	R415 Q690 G692 S693	R415-S651 VanDerWaalsContact NH1-CB 3.33Å; R415-S651 PolarHBondContact NH1-OG 2.79Å; S651-Q690 WeakPolarHBondContact OG-CB 3.33Å; S651-G692 WeakPolarHBondContact OG-CA 3.47Å; S651-G692 PolarHBondContact OG-N 3.32Å; S651-S693 PolarHBondContact N-O 2.89Å
652	G	90.8	Very high	95.5	Very high	10 Å²	10	12.2 Å²	12.2	10%	0.103	9%	0.085	C	C	.	.	S	Bend	trans	-130.4	164.4	175.7	0	0	0	0	0	112.3	N650 S693 S694	N650-G652 VanDerWaalsContact CB-O 3.32Å; N650-G652 WeakPolarHBondContact CB-O 3.3Å; G652-S693 PolarHBondContact N-O 2.66Å; G652-S694 WeakPolarHBondContact CA-OG 3.38Å; G652-S694 PolarHBondContact N-OG 3.33Å
653	P	92	Very high	95.4	Very high	24 Å²	24	10.1 Å²	10.1	16%	0.156	6%	0.064	C	C	.	.			trans	-62.7	141.1	-179	-20.5	32.9	0	0	0	112.4	D519 T659	D519-P653 HydrophobicContact CB-CB 3.8Å; D519-P653 HydrophobicContact CB-CG 3.88Å; P653-T659 HydrophobicContact CB-CG2 4.44Å; P653-T659 HydrophobicContact CG-CG2 4.25Å
654	A	91.7	Very high	95.3	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.083	C	C	.	.			trans	-152.5	119.2	169.5	0	0	0	0	0	108.1	N656 D657	A654-N656 PolarHBondContact O-N 3.41Å; A654-D657 WeakPolarHBondContact O-CB 3.47Å; A654-D657 PolarHBondContact O-N 3.25Å
655	L	91.6	Very high	95.1	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.042	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-139.3	-170.8	-66.6	173.7	0	0	0	111.6	R508 Y521 D657 P696	R508-L655 VanDerWaalsContact NH2-CG 3.27Å; Y521-L655 WeakPolarHBondContact CB-O 3.38Å; Y521-L655 WeakPolarHBondContact CD2-O 3.49Å; Y521-L655 HydrophobicContact CE1-CD2 4.43Å; Y521-L655 HydrophobicContact CE2-CD2 3.77Å; Y521-L655 WeakPolarHBondContact OH-CD2 3.43Å; L655-D657 VanDerWaalsContact C-N 3.32Å; L655-P696 HydrophobicContact CD1-CB 3.88Å; L655-P696 HydrophobicContact CD1-CG 4.08Å
656	N	93.6	Very high	94.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	16.8	175.2	63.3	-64.6	0	0	0	113.2	Y521 K525 F565 W567 N622 S623 A654	Y521-N656 HydrophobicContact CD1-CB 4.35Å; K525-N656 HydrophobicContact CG-CB 4.16Å; F565-N656 PolarHBondContact O-ND2 3.34Å; F565-N656 VanDerWaalsContact O-ND2 3.12Å; W567-N656 PolarHBondContact N-OD1 3.2Å; W567-N656 VanDerWaalsContact N-OD1 3.09Å; N622-N656 PolarHBondContact OD1-ND2 2.68Å; N622-N656 PolarHBondContact OD1-OD1 3.11Å; S623-N656 WeakPolarHBondContact CB-O 3.4Å; S623-N656 PolarHBondContact N-O 3.03Å; S623-N656 PolarHBondContact OG-O 3.31Å; A654-N656 PolarHBondContact O-N 3.41Å
657	D	95.9	Very high	94.8	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.011	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-62.1	145.8	177	-64.2	12.4	0	0	0	111.4	K525 D621 N650 A654 L655 P696 R726	K525-D657 WeakPolarHBondContact CD-O 3.44Å; D621-D657 WeakPolarHBondContact O-CA 3.32Å; D621-D657 WeakPolarHBondContact O-CB 3.42Å; N650-D657 PolarHBondContact ND2-OD2 3.47Å; A654-D657 WeakPolarHBondContact O-CB 3.47Å; A654-D657 PolarHBondContact O-N 3.25Å; L655-D657 VanDerWaalsContact C-N 3.32Å; D657-P696 VanDerWaalsContact OD2-CA 3.29Å; D657-P696 WeakPolarHBondContact OD2-CA 3.37Å; D657-R726 IonicContact OD1-NH1 3.26Å; D657-R726 IonicContact OD2-CZ 3.86Å; D657-R726 IonicContact OD2-NH1 2.83Å; D657-R726 PolarHBondContact OD2-NH1 3.38Å; D657-R726 IonicContact OD2-NH2 3.27Å; D657-R726 PolarHBondContact OD2-NH2 3.06Å
658	V	96.1	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-75.6	128.3	176.3	66.5	0	0	0	0	110.3	V620 D621 S623 I627 N650 E662 L663 L666	V620-V658 HydrophobicContact CB-CG1 4.32Å; V620-V658 HydrophobicContact CG2-CG1 3.41Å; V620-V658 VanDerWaalsContact CG2-CG1 3.41Å; D621-V658 PolarHBondContact O-N 2.98Å; S623-V658 WeakPolarHBondContact OG-CA 3.28Å; I627-V658 HydrophobicContact CG1-CG1 4.48Å; N650-V658 PolarHBondContact N-O 3.03Å; V658-E662 HydrophobicContact CG2-CB 4.04Å; V658-L663 HydrophobicContact CG2-CB 3.98Å; V658-L666 HydrophobicContact CG2-CD1 4.25Å
659	T	95.8	Very high	94.4	Very high	12 Å²	12	22.3 Å²	22.3	7%	0.074	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-88.2	158.1	171.5	65.5	0	0	0	0	111.1	N650 P653 S661 E662 L663	N650-T659 CarbonylContact O-C 3.55Å; N650-T659 WeakPolarHBondContact O-CA 3.19Å; P653-T659 HydrophobicContact CB-CG2 4.44Å; P653-T659 HydrophobicContact CG-CG2 4.25Å; T659-S661 VanDerWaalsContact C-N 3.27Å; T659-S661 PolarHBondContact O-N 3.06Å; T659-E662 WeakPolarHBondContact CB-OE2 3.39Å; T659-E662 WeakPolarHBondContact CG2-OE2 3.44Å; T659-E662 PolarHBondContact N-OE2 3.23Å; T659-E662 WeakPolarHBondContact O-CB 3.4Å; T659-E662 PolarHBondContact O-N 2.77Å; T659-E662 VanDerWaalsContact OG1-CG 3.32Å; T659-E662 WeakPolarHBondContact OG1-CG 3.49Å; T659-E662 PolarHBondContact OG1-N 3.21Å; T659-E662 PolarHBondContact OG1-OE2 3.08Å; T659-L663 WeakPolarHBondContact O-CB 3.49Å; T659-L663 PolarHBondContact O-N 3.43Å
660	N	95.2	Very high	94.4	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.053	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-36.7	179.2	-176.7	41.2	0	0	0	113.3	S649 N650 E662 L663 Q664 Q690	S649-N660 WeakPolarHBondContact OG-CA 3.48Å; S649-N660 WeakPolarHBondContact OG-CB 3.47Å; S649-N660 PolarHBondContact OG-N 3.43Å; N650-N660 PolarHBondContact O-N 2.82Å; N660-E662 VanDerWaalsContact C-N 3.34Å; N660-L663 PolarHBondContact O-N 2.83Å; N660-Q664 VanDerWaalsContact O-CG 3.3Å; N660-Q664 WeakPolarHBondContact O-CG 3.49Å; N660-Q664 PolarHBondContact O-N 3.29Å; N660-Q690 HydrophobicContact CB-CB 3.68Å; N660-Q690 PolarHBondContact ND2-OE1 2.82Å
661	S	92.5	Very high	94.4	Very high	56 Å²	56	22.8 Å²	22.8	39%	0.392	12%	0.121	S	C	.	.	H	α-helix	trans	-64.7	-39.6	176.1	-53.7	0	0	0	0	111.9	T659	T659-S661 VanDerWaalsContact C-N 3.27Å; T659-S661 PolarHBondContact O-N 3.06Å
662	E	94.9	Very high	94.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-45.1	175	-70.6	162.6	146.3	0	0	110.8	V61 K525 V658 T659 N660 Q664 I665 L666	V61-E662 HydrophobicContact CB-CG 4.26Å; V61-E662 HydrophobicContact CG1-CG 4.49Å; V61-E662 HydrophobicContact CG2-CG 3.7Å; K525-E662 VanDerWaalsContact CE-OE1 3.24Å; K525-E662 WeakPolarHBondContact CE-OE1 3.38Å; K525-E662 VanDerWaalsContact NZ-CD 3.27Å; K525-E662 IonicContact NZ-OE1 3.13Å; K525-E662 PolarHBondContact NZ-OE1 2.92Å; K525-E662 IonicContact NZ-OE2 3.65Å; K525-E662 PolarHBondContact NZ-OE2 2.89Å; V658-E662 HydrophobicContact CG2-CB 4.04Å; T659-E662 WeakPolarHBondContact CB-OE2 3.39Å; T659-E662 WeakPolarHBondContact CG2-OE2 3.44Å; T659-E662 PolarHBondContact N-OE2 3.23Å; T659-E662 WeakPolarHBondContact O-CB 3.4Å; T659-E662 PolarHBondContact O-N 2.77Å; T659-E662 VanDerWaalsContact OG1-CG 3.32Å; T659-E662 WeakPolarHBondContact OG1-CG 3.49Å; T659-E662 PolarHBondContact OG1-N 3.21Å; T659-E662 PolarHBondContact OG1-OE2 3.08Å; N660-E662 VanDerWaalsContact C-N 3.34Å; E662-Q664 VanDerWaalsContact C-N 3.29Å; E662-Q664 PolarHBondContact O-N 3.18Å; E662-I665 PolarHBondContact O-N 2.94Å; E662-I665 VanDerWaalsContact O-N 3.15Å; E662-L666 VanDerWaalsContact O-CG 3.31Å; E662-L666 WeakPolarHBondContact O-CG 3.3Å; E662-L666 PolarHBondContact O-N 3.45Å
663	L	96.3	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-39.6	-179.7	-177.1	58.9	0	0	0	112	I627 L647 V658 T659 N660 L666 T667 L688	I627-L663 HydrophobicContact CD1-CD1 3.84Å; I627-L663 HydrophobicContact CG1-CD1 3.81Å; L647-L663 HydrophobicContact CB-CD2 3.93Å; L647-L663 HydrophobicContact CD1-CD1 4.43Å; L647-L663 HydrophobicContact CD1-CD2 4.4Å; V658-L663 HydrophobicContact CG2-CB 3.98Å; T659-L663 WeakPolarHBondContact O-CB 3.49Å; T659-L663 PolarHBondContact O-N 3.43Å; N660-L663 PolarHBondContact O-N 2.83Å; L663-L666 PolarHBondContact O-N 3Å; L663-T667 VanDerWaalsContact O-CB 3.31Å; L663-T667 WeakPolarHBondContact O-CB 3.43Å; L663-T667 PolarHBondContact O-N 2.94Å; L663-T667 PolarHBondContact O-OG1 3.43Å; L663-L688 HydrophobicContact CD2-CD2 4.11Å; L663-L688 HydrophobicContact CG-CD1 4.38Å; L663-L688 HydrophobicContact CG-CD2 4.18Å
664	Q	95.6	Very high	95	Very high	86 Å²	86	27.3 Å²	27.3	40%	0.402	15%	0.15	S	C	.	.	H	α-helix	trans	-56.8	-51.8	174.7	-75.7	174.3	8.8	0	0	111.6	N660 E662 L666 T667 E668 L688	N660-Q664 VanDerWaalsContact O-CG 3.3Å; N660-Q664 WeakPolarHBondContact O-CG 3.49Å; N660-Q664 PolarHBondContact O-N 3.29Å; E662-Q664 VanDerWaalsContact C-N 3.29Å; E662-Q664 PolarHBondContact O-N 3.18Å; Q664-L666 PolarHBondContact O-N 3.34Å; Q664-T667 PolarHBondContact O-N 3.43Å; Q664-E668 WeakPolarHBondContact O-CG 3.44Å; Q664-E668 PolarHBondContact O-N 2.9Å; Q664-L688 HydrophobicContact CB-CD1 4.42Å; Q664-L688 HydrophobicContact CG-CD1 3.96Å
665	I	94.3	Very high	95.3	Very high	13 Å²	13	32 Å²	32	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-42.5	-179	-61.1	165.5	0	0	0	111.1	V61 Y77 E662 T667 E668 R669	V61-I665 HydrophobicContact CB-CD1 4.32Å; V61-I665 HydrophobicContact CG1-CD1 3.49Å; V61-I665 VanDerWaalsContact CG1-CD1 3.49Å; Y77-I665 HydrophobicContact CD1-CB 4.47Å; Y77-I665 HydrophobicContact CD1-CD1 4.31Å; Y77-I665 HydrophobicContact CD1-CG2 3.96Å; Y77-I665 HydrophobicContact CG-CD1 4.39Å; E662-I665 PolarHBondContact O-N 2.94Å; E662-I665 VanDerWaalsContact O-N 3.15Å; I665-T667 VanDerWaalsContact C-N 3.33Å; I665-T667 PolarHBondContact O-N 3.43Å; I665-E668 PolarHBondContact O-N 2.95Å; I665-R669 WeakPolarHBondContact O-CG 3.26Å; I665-R669 PolarHBondContact O-N 3.45Å; I665-R669 VanDerWaalsContact O-N 3.09Å
666	L	95.5	Very high	95.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-43.3	177.1	-68.1	179.9	0	0	0	111.7	L76 N529 L533 I627 I628 V658 E662 L663 Q664 R669 I670	L76-L666 HydrophobicContact CD2-CD2 3.8Å; N529-L666 HydrophobicContact CB-CD2 3.91Å; L533-L666 HydrophobicContact CD1-CD2 4.16Å; I627-L666 HydrophobicContact CG2-CD1 4.03Å; I628-L666 HydrophobicContact CD1-CD1 4.44Å; I628-L666 HydrophobicContact CD1-CD2 4.13Å; V658-L666 HydrophobicContact CG2-CD1 4.25Å; E662-L666 VanDerWaalsContact O-CG 3.31Å; E662-L666 WeakPolarHBondContact O-CG 3.3Å; E662-L666 PolarHBondContact O-N 3.45Å; L663-L666 PolarHBondContact O-N 3Å; Q664-L666 PolarHBondContact O-N 3.34Å; L666-R669 PolarHBondContact O-N 3.33Å; L666-I670 WeakPolarHBondContact O-CG1 3.45Å; L666-I670 PolarHBondContact O-N 3.42Å
667	T	96.4	Very high	95.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-38.4	-179.2	-50.3	0	0	0	0	111	M632 L663 Q664 I665 R669 I670 A671 I677 L681 L686 L688	M632-T667 HydrophobicContact CE-CG2 3.97Å; L663-T667 VanDerWaalsContact O-CB 3.31Å; L663-T667 WeakPolarHBondContact O-CB 3.43Å; L663-T667 PolarHBondContact O-N 2.94Å; L663-T667 PolarHBondContact O-OG1 3.43Å; Q664-T667 PolarHBondContact O-N 3.43Å; I665-T667 VanDerWaalsContact C-N 3.33Å; I665-T667 PolarHBondContact O-N 3.43Å; T667-R669 VanDerWaalsContact C-N 3.35Å; T667-R669 PolarHBondContact O-N 3.36Å; T667-I670 PolarHBondContact O-N 2.98Å; T667-A671 VanDerWaalsContact O-CB 3.28Å; T667-A671 WeakPolarHBondContact O-CB 3.49Å; T667-A671 PolarHBondContact O-N 2.79Å; T667-I677 HydrophobicContact CG2-CG2 4.13Å; T667-L681 HydrophobicContact CG2-CD1 3.97Å; T667-L681 HydrophobicContact CG2-CD2 4.11Å; T667-L681 HydrophobicContact CG2-CG 4.4Å; T667-L686 HydrophobicContact CG2-CD2 3.96Å; T667-L688 HydrophobicContact CG2-CD1 4.12Å; T667-L688 HydrophobicContact CG2-CD2 4.38Å; T667-L688 WeakPolarHBondContact OG1-CD1 3.02Å
668	E	94.8	Very high	95.9	Very high	117 Å²	117	35.9 Å²	35.9	55%	0.547	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-43.6	172.6	-74.4	174.8	-175.9	0	0	112.1	Q664 I665 A671 A672	Q664-E668 WeakPolarHBondContact O-CG 3.44Å; Q664-E668 PolarHBondContact O-N 2.9Å; I665-E668 PolarHBondContact O-N 2.95Å; E668-A671 PolarHBondContact O-N 2.96Å; E668-A672 PolarHBondContact O-N 2.94Å; E668-A672 VanDerWaalsContact O-N 3.13Å
669	R	94.5	Very high	96	Very high	92 Å²	92	37.2 Å²	37.2	35%	0.347	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-42	176.4	-68.2	-64.5	-169.6	178.4	2.4	112	L76 L533 I665 L666 T667 A672	L76-R669 HydrophobicContact CD1-CG 4.16Å; L533-R669 HydrophobicContact CD1-CB 4.39Å; L533-R669 HydrophobicContact CD2-CB 4.3Å; I665-R669 WeakPolarHBondContact O-CG 3.26Å; I665-R669 PolarHBondContact O-N 3.45Å; I665-R669 VanDerWaalsContact O-N 3.09Å; L666-R669 PolarHBondContact O-N 3.33Å; T667-R669 VanDerWaalsContact C-N 3.35Å; T667-R669 PolarHBondContact O-N 3.36Å; R669-A672 PolarHBondContact O-N 3.44Å
670	I	96.6	Very high	96.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-42.5	177.7	-69.8	169	0	0	0	110.8	L533 Y536 I628 M632 L666 T667 A672 M673 D674 I677	L533-I670 HydrophobicContact CD2-CD1 4.33Å; L533-I670 HydrophobicContact CD2-CG1 3.75Å; Y536-I670 HydrophobicContact CD1-CG2 4.37Å; Y536-I670 HydrophobicContact CD2-CD1 4.41Å; Y536-I670 HydrophobicContact CD2-CG1 4.47Å; Y536-I670 HydrophobicContact CE1-CG2 3.7Å; Y536-I670 HydrophobicContact CE2-CD1 4.26Å; Y536-I670 HydrophobicContact CE2-CG1 4.46Å; Y536-I670 HydrophobicContact CE2-CG2 3.99Å; Y536-I670 VanDerWaalsContact CZ-CG2 3.45Å; Y536-I670 WeakPolarHBondContact OH-CG2 3.45Å; I628-I670 HydrophobicContact CG1-CD1 4.26Å; I628-I670 HydrophobicContact CG2-CD1 4.32Å; M632-I670 HydrophobicContact CB-CD1 4.1Å; M632-I670 HydrophobicContact CE-CB 4.07Å; M632-I670 HydrophobicContact CE-CD1 3.8Å; M632-I670 HydrophobicContact CE-CG2 3.67Å; M632-I670 HydrophobicContact CG-CD1 3.68Å; M632-I670 HydrophobicContact SD-CD1 4.47Å; L666-I670 WeakPolarHBondContact O-CG1 3.45Å; L666-I670 PolarHBondContact O-N 3.42Å; T667-I670 PolarHBondContact O-N 2.98Å; I670-A672 PolarHBondContact O-N 2.83Å; I670-M673 CarbonylContact O-C 3.55Å; I670-M673 WeakPolarHBondContact O-CA 3.27Å; I670-M673 PolarHBondContact O-N 2.69Å; I670-D674 HydrophobicContact CG2-CB 4.32Å; I670-D674 PolarHBondContact O-N 3.36Å; I670-I677 HydrophobicContact CG2-CB 4.39Å; I670-I677 HydrophobicContact CG2-CG1 4.1Å; I670-I677 HydrophobicContact CG2-CG2 4.26Å
671	A	96.7	Very high	96.2	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-38.1	176.4	0	0	0	0	0	112	T667 E668 M673 D674 I677 D678 L681	T667-A671 VanDerWaalsContact O-CB 3.28Å; T667-A671 WeakPolarHBondContact O-CB 3.49Å; T667-A671 PolarHBondContact O-N 2.79Å; E668-A671 PolarHBondContact O-N 2.96Å; A671-M673 PolarHBondContact O-N 3.19Å; A671-M673 VanDerWaalsContact O-N 3.12Å; A671-D674 PolarHBondContact O-N 3.46Å; A671-I677 HydrophobicContact CB-CG2 4.15Å; A671-D678 HydrophobicContact CB-CB 4.18Å; A671-D678 WeakPolarHBondContact O-CB 3.19Å; A671-L681 HydrophobicContact CB-CD1 3.68Å
672	A	95.2	Very high	96.4	Very high	89 Å²	89	44.6 Å²	44.6	74%	0.736	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.6	175	0	0	0	0	0	114.1	E668 R669 I670	E668-A672 PolarHBondContact O-N 2.94Å; E668-A672 VanDerWaalsContact O-N 3.13Å; R669-A672 PolarHBondContact O-N 3.44Å; I670-A672 PolarHBondContact O-N 2.83Å
673	M	95.4	Very high	96.5	Very high	68 Å²	68	49.6 Å²	49.6	34%	0.335	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-19.9	-179.2	-50.9	-175	-38.6	0	0	113.3	Y536 E537 I670 A671	Y536-M673 HydrophobicContact CD1-CE 3.73Å; Y536-M673 HydrophobicContact CG-CE 4.07Å; E537-M673 HydrophobicContact CG-CB 4.11Å; E537-M673 HydrophobicContact CG-CE 4.21Å; E537-M673 HydrophobicContact CG-SD 4.39Å; I670-M673 CarbonylContact O-C 3.55Å; I670-M673 WeakPolarHBondContact O-CA 3.27Å; I670-M673 PolarHBondContact O-N 2.69Å; A671-M673 PolarHBondContact O-N 3.19Å; A671-M673 VanDerWaalsContact O-N 3.12Å
674	D	97.3	Very high	96.5	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.027	28%	0.276	C	S	.	.			trans	-123	107.6	-176.1	-163.9	-46	0	0	0	112.1	Y536 R636 I670 A671 V676 I677 D678	Y536-D674 HydrophobicContact CE1-CB 3.98Å; Y536-D674 PolarHBondContact OH-OD2 3.42Å; R636-D674 WeakPolarHBondContact CD-OD2 3.43Å; R636-D674 IonicContact CZ-OD2 2.68Å; R636-D674 IonicContact NE-OD1 3.69Å; R636-D674 PolarHBondContact NE-OD1 2.93Å; R636-D674 IonicContact NE-OD2 2.77Å; R636-D674 PolarHBondContact NE-OD2 3Å; I670-D674 HydrophobicContact CG2-CB 4.32Å; I670-D674 PolarHBondContact O-N 3.36Å; A671-D674 PolarHBondContact O-N 3.46Å; D674-V676 PolarHBondContact O-N 2.9Å; D674-V676 WeakPolarHBondContact OD1-CB 3.45Å; D674-V676 PolarHBondContact OD1-N 2.92Å; D674-I677 HydrophobicContact CB-CB 4.16Å; D674-I677 HydrophobicContact CB-CG1 3.99Å; D674-I677 PolarHBondContact O-N 3.01Å; D674-D678 PolarHBondContact O-N 2.84Å
675	P	96.6	Very high	96.6	Very high	100 Å²	100	51.9 Å²	51.9	65%	0.649	27%	0.267	S	S	*	.	H	α-helix	trans	-59.5	-28.2	-179.5	-25.1	34.2	0	0	0	114.8	S679	P675-S679 WeakPolarHBondContact O-CB 3.35Å; P675-S679 PolarHBondContact O-N 2.84Å
676	V	97.8	Very high	96.8	Very high	35 Å²	35	51.4 Å²	51.4	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-70.8	-43.8	179.6	177	0	0	0	0	109.9	R636 L639 D674 A680	R636-V676 HydrophobicContact CG-CB 3.95Å; R636-V676 HydrophobicContact CG-CG1 3.84Å; R636-V676 HydrophobicContact CG-CG2 4.46Å; L639-V676 HydrophobicContact CB-CG1 4.26Å; D674-V676 PolarHBondContact O-N 2.9Å; D674-V676 WeakPolarHBondContact OD1-CB 3.45Å; D674-V676 PolarHBondContact OD1-N 2.92Å; V676-A680 VanDerWaalsContact O-CB 3.3Å; V676-A680 WeakPolarHBondContact O-CB 3.43Å; V676-A680 PolarHBondContact O-N 2.96Å
677	I	98.3	Very high	96.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.9	-44.3	177.6	-58.9	-58.6	0	0	0	110.4	M632 R636 L639 T667 I670 A671 D674 S679 A680 L681 L686	M632-I677 HydrophobicContact CE-CD1 4.09Å; M632-I677 HydrophobicContact CE-CG1 4.18Å; M632-I677 HydrophobicContact CE-CG2 3.86Å; R636-I677 HydrophobicContact CB-CD1 4.01Å; R636-I677 HydrophobicContact CG-CD1 4.37Å; L639-I677 HydrophobicContact CD1-CD1 3.8Å; T667-I677 HydrophobicContact CG2-CG2 4.13Å; I670-I677 HydrophobicContact CG2-CB 4.39Å; I670-I677 HydrophobicContact CG2-CG1 4.1Å; I670-I677 HydrophobicContact CG2-CG2 4.26Å; A671-I677 HydrophobicContact CB-CG2 4.15Å; D674-I677 HydrophobicContact CB-CB 4.16Å; D674-I677 HydrophobicContact CB-CG1 3.99Å; D674-I677 PolarHBondContact O-N 3.01Å; I677-S679 PolarHBondContact O-N 3.47Å; I677-A680 PolarHBondContact O-N 2.89Å; I677-L681 HydrophobicContact CG2-CD1 4.46Å; I677-L681 WeakPolarHBondContact O-CG 3.32Å; I677-L681 PolarHBondContact O-N 3.18Å; I677-L686 HydrophobicContact CG2-CD2 3.98Å
678	D	98.1	Very high	97	Very high	56 Å²	56	54 Å²	54	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-57.3	-49.2	175.7	179.9	66.2	0	0	0	112.2	A671 D674 A680 L681 R682	A671-D678 HydrophobicContact CB-CB 4.18Å; A671-D678 WeakPolarHBondContact O-CB 3.19Å; D674-D678 PolarHBondContact O-N 2.84Å; D678-A680 VanDerWaalsContact C-N 3.34Å; D678-A680 PolarHBondContact O-N 3.35Å; D678-L681 PolarHBondContact O-N 2.95Å; D678-R682 WeakPolarHBondContact O-CG 3.48Å; D678-R682 PolarHBondContact O-N 2.86Å; D678-R682 VanDerWaalsContact O-N 3.1Å; D678-R682 IonicContact OD2-CZ 3.41Å; D678-R682 IonicContact OD2-NE 2.71Å; D678-R682 PolarHBondContact OD2-NE 3.22Å; D678-R682 IonicContact OD2-NH1 2.85Å
679	S	97.9	Very high	97.1	Very high	28 Å²	28	49.1 Å²	49.1	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-41.3	179	-143.1	0	0	0	0	111.6	P675 I677 L681 R682 E683	P675-S679 WeakPolarHBondContact O-CB 3.35Å; P675-S679 PolarHBondContact O-N 2.84Å; I677-S679 PolarHBondContact O-N 3.47Å; S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 3.37Å; S679-R682 PolarHBondContact O-N 2.94Å; S679-R682 PolarHBondContact OG-NH2 2.93Å; S679-E683 VanDerWaalsContact O-CB 3.27Å; S679-E683 WeakPolarHBondContact O-CB 3.4Å; S679-E683 VanDerWaalsContact O-CG 3.23Å; S679-E683 WeakPolarHBondContact O-CG 3.37Å; S679-E683 PolarHBondContact O-N 3.38Å; S679-E683 PolarHBondContact OG-OE1 2.96Å
680	A	98.1	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.6	-37.2	178.7	0	0	0	0	0	113.3	L639 V676 I677 D678 D684 R685 L686	L639-A680 HydrophobicContact CD1-CB 3.64Å; L639-A680 HydrophobicContact CD2-CB 3.71Å; L639-A680 HydrophobicContact CG-CB 4.18Å; V676-A680 VanDerWaalsContact O-CB 3.3Å; V676-A680 WeakPolarHBondContact O-CB 3.43Å; V676-A680 PolarHBondContact O-N 2.96Å; I677-A680 PolarHBondContact O-N 2.89Å; D678-A680 VanDerWaalsContact C-N 3.34Å; D678-A680 PolarHBondContact O-N 3.35Å; A680-D684 PolarHBondContact O-N 3.48Å; A680-R685 HydrophobicContact CB-CB 4.36Å; A680-R685 PolarHBondContact O-N 3.44Å; A680-L686 HydrophobicContact CB-CB 3.89Å; A680-L686 PolarHBondContact O-N 3.33Å
681	L	96.9	Very high	97	Very high	56 Å²	56	46.7 Å²	46.7	29%	0.293	25%	0.25	S	C	.	.	H	α-helix	trans	-66.7	-48	174.1	-73.8	175.1	0	0	0	111.8	T667 A671 I677 D678 S679 E683 D684 L686	T667-L681 HydrophobicContact CG2-CD1 3.97Å; T667-L681 HydrophobicContact CG2-CD2 4.11Å; T667-L681 HydrophobicContact CG2-CG 4.4Å; A671-L681 HydrophobicContact CB-CD1 3.68Å; I677-L681 HydrophobicContact CG2-CD1 4.46Å; I677-L681 WeakPolarHBondContact O-CG 3.32Å; I677-L681 PolarHBondContact O-N 3.18Å; D678-L681 PolarHBondContact O-N 2.95Å; S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 3.37Å; L681-E683 VanDerWaalsContact C-N 3.27Å; L681-E683 PolarHBondContact O-N 2.87Å; L681-D684 PolarHBondContact O-N 3.49Å; L681-D684 VanDerWaalsContact O-N 3.14Å; L681-L686 HydrophobicContact CD2-CB 4.15Å; L681-L686 HydrophobicContact CD2-CD2 3.93Å; L681-L686 HydrophobicContact CD2-CG 3.96Å; L681-L686 HydrophobicContact CG-CD2 4.21Å
682	R	96.8	Very high	96.7	Very high	177 Å²	177	47 Å²	47	67%	0.668	25%	0.254	S	S	*	.	H	α-helix	trans	-65.6	-31.6	-178.6	-65.2	178.5	-45	165	9.6	112.8	D678 S679 D684	D678-R682 WeakPolarHBondContact O-CG 3.48Å; D678-R682 PolarHBondContact O-N 2.86Å; D678-R682 VanDerWaalsContact O-N 3.1Å; D678-R682 IonicContact OD2-CZ 3.41Å; D678-R682 IonicContact OD2-NE 2.71Å; D678-R682 PolarHBondContact OD2-NE 3.22Å; D678-R682 IonicContact OD2-NH1 2.85Å; S679-R682 PolarHBondContact O-N 2.94Å; S679-R682 PolarHBondContact OG-NH2 2.93Å; R682-D684 VanDerWaalsContact C-N 3.32Å
683	E	96.9	Very high	96.4	Very high	106 Å²	106	43.8 Å²	43.8	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.8	177.7	-67.6	165	-160	0	0	113.2	S679 L681 R685	S679-E683 VanDerWaalsContact O-CB 3.27Å; S679-E683 WeakPolarHBondContact O-CB 3.4Å; S679-E683 VanDerWaalsContact O-CG 3.23Å; S679-E683 WeakPolarHBondContact O-CG 3.37Å; S679-E683 PolarHBondContact O-N 3.38Å; S679-E683 PolarHBondContact OG-OE1 2.96Å; L681-E683 VanDerWaalsContact C-N 3.27Å; L681-E683 PolarHBondContact O-N 2.87Å; E683-R685 HydrophobicContact CB-CG 4.06Å; E683-R685 PolarHBondContact O-N 3.48Å; E683-R685 IonicContact OE2-NE 3.19Å; E683-R685 PolarHBondContact OE2-NE 3.08Å; E683-R685 VanDerWaalsContact OE2-NE 3.16Å
684	D	96.4	Very high	96.1	Very high	81 Å²	81	43.6 Å²	43.6	43%	0.433	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	34.1	-177.5	-167.7	38.5	0	0	0	113.3	A680 L681 R682 T687 R714	A680-D684 PolarHBondContact O-N 3.48Å; L681-D684 PolarHBondContact O-N 3.49Å; L681-D684 VanDerWaalsContact O-N 3.14Å; R682-D684 VanDerWaalsContact C-N 3.32Å; D684-T687 PolarHBondContact OD1-OG1 2.98Å; D684-R714 VanDerWaalsContact CG-NH2 3.32Å; D684-R714 PolarHBondContact O-NH1 2.87Å; D684-R714 IonicContact OD1-NH2 3.92Å; D684-R714 IonicContact OD2-CZ 2.75Å; D684-R714 IonicContact OD2-NH2 3.69Å; D684-R714 PolarHBondContact OD2-NH2 2.87Å
685	R	97.9	Very high	95.9	Very high	53 Å²	53	43.7 Å²	43.7	20%	0.2	23%	0.233	C	C	.	.	S	Bend	trans	-92.5	-18.7	169.8	-59	-162.7	-55.3	123.7	4.1	112.5	L639 E644 V645 A680 E683	L639-R685 HydrophobicContact CD2-CB 4.17Å; L639-R685 PolarHBondContact O-NH1 3.15Å; L639-R685 PolarHBondContact O-NH2 2.89Å; E644-R685 CarbonylContact C-O 3.54Å; E644-R685 WeakPolarHBondContact CA-O 3.43Å; E644-R685 HydrophobicContact CG-CB 4.31Å; E644-R685 HydrophobicContact CG-CG 4.39Å; V645-R685 PolarHBondContact N-O 3.37Å; A680-R685 HydrophobicContact CB-CB 4.36Å; A680-R685 PolarHBondContact O-N 3.44Å; E683-R685 HydrophobicContact CB-CG 4.06Å; E683-R685 PolarHBondContact O-N 3.48Å; E683-R685 IonicContact OE2-NE 3.19Å; E683-R685 PolarHBondContact OE2-NE 3.08Å; E683-R685 VanDerWaalsContact OE2-NE 3.16Å
686	L	98.6	Very high	95.7	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.1	169.8	176.5	60.5	0	0	0	108.6	V635 L639 V645 L647 T667 I677 A680 L681 L688	V635-L686 HydrophobicContact CG1-CD1 3.95Å; L639-L686 HydrophobicContact CD1-CB 4.26Å; L639-L686 HydrophobicContact CD1-CD2 4.3Å; L639-L686 HydrophobicContact CD2-CB 4.31Å; V645-L686 HydrophobicContact CB-CD1 4.03Å; V645-L686 HydrophobicContact CG1-CD1 4.11Å; V645-L686 CarbonylContact O-C 3.49Å; V645-L686 WeakPolarHBondContact O-CA 3.47Å; L647-L686 HydrophobicContact CD1-CD1 4.08Å; L647-L686 HydrophobicContact CG-CD1 3.94Å; T667-L686 HydrophobicContact CG2-CD2 3.96Å; I677-L686 HydrophobicContact CG2-CD2 3.98Å; A680-L686 HydrophobicContact CB-CB 3.89Å; A680-L686 PolarHBondContact O-N 3.33Å; L681-L686 HydrophobicContact CD2-CB 4.15Å; L681-L686 HydrophobicContact CD2-CD2 3.93Å; L681-L686 HydrophobicContact CD2-CG 3.96Å; L681-L686 HydrophobicContact CG-CD2 4.21Å; L686-L688 HydrophobicContact CD1-CD2 4.42Å; L686-L688 HydrophobicContact CG-CD2 4.44Å
687	T	98.3	Very high	95.6	Very high	25 Å²	25	37.7 Å²	37.7	15%	0.153	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.4	179.3	-47.1	0	0	0	0	109.9	V645 V646 L647 D684 V689 L710	V645-T687 PolarHBondContact O-N 3.5Å; V646-T687 CarbonylContact C-O 3.34Å; V646-T687 WeakPolarHBondContact CA-O 3.14Å; L647-T687 PolarHBondContact N-O 3.29Å; D684-T687 PolarHBondContact OD1-OG1 2.98Å; T687-V689 HydrophobicContact CG2-CG2 3.84Å; T687-L710 HydrophobicContact CG2-CD2 3.84Å
688	L	98.2	Very high	95.5	Very high	33 Å²	33	37.7 Å²	37.7	17%	0.173	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.4	177.3	-49.2	178.4	0	0	0	109.1	L647 L663 Q664 T667 L686	L647-L688 HydrophobicContact CB-CD2 3.85Å; L647-L688 HydrophobicContact CD1-CD2 3.79Å; L647-L688 HydrophobicContact CG-CD2 4.12Å; L663-L688 HydrophobicContact CD2-CD2 4.11Å; L663-L688 HydrophobicContact CG-CD1 4.38Å; L663-L688 HydrophobicContact CG-CD2 4.18Å; Q664-L688 HydrophobicContact CB-CD1 4.42Å; Q664-L688 HydrophobicContact CG-CD1 3.96Å; T667-L688 HydrophobicContact CG2-CD1 4.12Å; T667-L688 HydrophobicContact CG2-CD2 4.38Å; T667-L688 WeakPolarHBondContact OG1-CD1 3.02Å; L686-L688 HydrophobicContact CD1-CD2 4.42Å; L686-L688 HydrophobicContact CG-CD2 4.44Å
689	V	96.8	Very high	95.4	Very high	13 Å²	13	36 Å²	36	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.9	-177.4	-170.9	0	0	0	0	109.2	V646 L647 A648 S649 T687 L707 L710	V646-V689 HydrophobicContact CG1-CB 4.41Å; V646-V689 HydrophobicContact CG1-CG2 4.08Å; L647-V689 PolarHBondContact O-N 2.78Å; L647-V689 VanDerWaalsContact O-O 3.06Å; A648-V689 VanDerWaalsContact CA-O 3.26Å; A648-V689 WeakPolarHBondContact CA-O 3.37Å; S649-V689 PolarHBondContact N-O 3.12Å; S649-V689 VanDerWaalsContact N-O 3.1Å; T687-V689 HydrophobicContact CG2-CG2 3.84Å; V689-L707 HydrophobicContact CB-CD1 4.16Å; V689-L707 HydrophobicContact CG1-CB 3.88Å; V689-L707 HydrophobicContact CG1-CD1 4.09Å; V689-L710 HydrophobicContact CG2-CD2 3.55Å
690	Q	95.6	Very high	95.3	Very high	42 Å²	42	34.6 Å²	34.6	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.3	171.2	61.6	-140.6	-32.9	0	0	111.9	S649 S651 N660	S649-Q690 CarbonylContact O-C 3.59Å; S649-Q690 WeakPolarHBondContact O-CA 3.46Å; S651-Q690 WeakPolarHBondContact OG-CB 3.33Å; N660-Q690 HydrophobicContact CB-CB 3.68Å; N660-Q690 PolarHBondContact ND2-OE1 2.82Å
691	D	93.9	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.			trans	-89.2	-9.5	-175.3	62.1	9.4	0	0	0	115.1	F619 A648 S649 N650 S693 L703 D704 L707	F619-D691 HydrophobicContact CD1-CB 4.42Å; F619-D691 HydrophobicContact CE1-CB 4.21Å; A648-D691 HydrophobicContact CB-CB 4.48Å; S649-D691 VanDerWaalsContact O-CG 3.3Å; S649-D691 PolarHBondContact O-N 2.79Å; N650-D691 WeakPolarHBondContact CA-OD1 3.38Å; N650-D691 PolarHBondContact OD1-OD2 3.03Å; D691-S693 WeakPolarHBondContact OD1-CB 3.19Å; D691-S693 PolarHBondContact OD1-N 2.88Å; D691-L703 HydrophobicContact CB-CD2 4.46Å; D691-L703 CarbonylContact O-C 3.48Å; D691-L703 VanDerWaalsContact O-CA 3.26Å; D691-L703 WeakPolarHBondContact O-CA 3.47Å; D691-D704 PolarHBondContact O-N 3.06Å; D691-L707 HydrophobicContact CB-CD2 4.14Å
692	G	90.6	Very high	94.7	Very high	16 Å²	16	34.8 Å²	34.8	17%	0.165	18%	0.175	C	C	.	.	S	Bend	trans	87.5	0.7	-174.7	0	0	0	0	0	115.5	S651	S651-G692 WeakPolarHBondContact OG-CA 3.47Å; S651-G692 PolarHBondContact OG-N 3.32Å
693	S	88.3	Confident	94.6	Very high	21 Å²	21	26.4 Å²	26.4	15%	0.147	14%	0.143	C	C	.	.			trans	-99	152.7	-177.5	-171.8	0	0	0	0	112.9	S651 G652 D691 S695	S651-S693 PolarHBondContact N-O 2.89Å; G652-S693 PolarHBondContact N-O 2.66Å; D691-S693 WeakPolarHBondContact OD1-CB 3.19Å; D691-S693 PolarHBondContact OD1-N 2.88Å; S693-S695 WeakPolarHBondContact OG-CB 3.45Å; S693-S695 PolarHBondContact OG-N 3.46Å; S693-S695 VanDerWaalsContact OG-N 3.07Å
694	S	89.3	Confident	94.5	Very high	64 Å²	64	21.7 Å²	21.7	45%	0.448	12%	0.121	S	C	.	.			trans	-129.8	39.2	164.4	-56.1	0	0	0	0	109.5	G652	G652-S694 WeakPolarHBondContact CA-OG 3.38Å; G652-S694 PolarHBondContact N-OG 3.33Å
695	S	92.2	Very high	94.4	Very high	8 Å²	8	22 Å²	22	6%	0.056	12%	0.119	C	C	.	.	S	Bend	trans	-127.3	148.2	-178	-174.8	0	0	0	0	109.4	D506 N650 S693 C697	D506-S695 VanDerWaalsContact OD1-CB 3.22Å; D506-S695 WeakPolarHBondContact OD1-CB 3.27Å; D506-S695 PolarHBondContact OD1-OG 3.49Å; N650-S695 PolarHBondContact ND2-O 3.47Å; S693-S695 WeakPolarHBondContact OG-CB 3.45Å; S693-S695 PolarHBondContact OG-N 3.46Å; S693-S695 VanDerWaalsContact OG-N 3.07Å; S695-C697 PolarHBondContact O-N 3.42Å; S695-C697 PolarHBondContact OG-N 3.09Å
696	P	93.1	Very high	94.2	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.039	13%	0.133	C	C	.	.	S	Bend	trans	-73.9	-6.1	170.3	34.7	-38.7	0	0	0	113.5	L505 L655 D657 G725 R726	L505-P696 HydrophobicContact CB-CG 3.91Å; L505-P696 HydrophobicContact CD1-CG 3.68Å; L505-P696 HydrophobicContact CD2-CG 4.12Å; L505-P696 HydrophobicContact CG-CG 4.08Å; L655-P696 HydrophobicContact CD1-CB 3.88Å; L655-P696 HydrophobicContact CD1-CG 4.08Å; D657-P696 VanDerWaalsContact OD2-CA 3.29Å; D657-P696 WeakPolarHBondContact OD2-CA 3.37Å; P696-G725 CarbonylContact O-C 3.45Å; P696-G725 WeakPolarHBondContact O-CA 3.36Å; P696-R726 PolarHBondContact O-NH1 2.81Å
697	C	96.1	Very high	94.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	13%	0.132	C	C	.	.	S	Bend	trans	-105.8	160.9	172.2	-72.5	0	0	0	0	110.5	R502 S695 G725 T730	R502-C697 HydrophobicContact CB-CB 3.83Å; R502-C697 HydrophobicContact CG-CB 3.64Å; S695-C697 PolarHBondContact O-N 3.42Å; S695-C697 PolarHBondContact OG-N 3.09Å; C697-G725 PolarHBondContact SG-O 2.91Å; C697-G725 VanDerWaalsContact SG-O 3.39Å; C697-T730 HydrophobicContact CB-CG2 3.76Å
698	L	96	Very high	94.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.127	C	C	.	.			trans	-121.4	119.8	-174.6	179.7	66.3	0	0	0	110.9	F619 L700 L703 I721 R726 T730 N731	F619-L698 HydrophobicContact CB-CD2 3.92Å; F619-L698 HydrophobicContact CD1-CD1 3.9Å; F619-L698 HydrophobicContact CD1-CD2 3.61Å; F619-L698 HydrophobicContact CD1-CG 4.43Å; F619-L698 HydrophobicContact CD2-CD2 3.89Å; F619-L698 HydrophobicContact CE1-CD1 3.95Å; F619-L698 HydrophobicContact CE1-CD2 4.02Å; F619-L698 HydrophobicContact CE2-CD2 4.26Å; F619-L698 HydrophobicContact CG-CD2 3.53Å; F619-L698 HydrophobicContact CZ-CD2 4.32Å; L698-L700 HydrophobicContact CD1-CD2 4.44Å; L698-L700 HydrophobicContact CD2-CD2 3.68Å; L698-L700 HydrophobicContact CD2-CG 4.48Å; L698-L700 HydrophobicContact CG-CD2 3.9Å; L698-L700 HydrophobicContact CG-CG 4.47Å; L698-L703 HydrophobicContact CD1-CD2 3.83Å; L698-I721 HydrophobicContact CD2-CG2 4.14Å; L698-R726 HydrophobicContact CB-CB 3.93Å; L698-R726 HydrophobicContact CB-CG 3.95Å; L698-R726 HydrophobicContact CD2-CB 4.49Å; L698-T730 PolarHBondContact N-OG1 2.87Å; L698-T730 VanDerWaalsContact N-OG1 3.14Å; L698-T730 WeakPolarHBondContact O-CB 3.44Å; L698-T730 PolarHBondContact O-OG1 3.17Å; L698-N731 PolarHBondContact O-ND2 3.01Å
699	D	94.8	Very high	94	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.102	14%	0.137	C	C	.	.			trans	-103.8	103.7	171.5	-177	-9.1	0	0	0	109.6	Y429 P431 S701 R702	Y429-D699 WeakPolarHBondContact CE1-OD1 3.44Å; P431-D699 HydrophobicContact CB-CB 4.26Å; P431-D699 HydrophobicContact CG-CB 4.47Å; D699-S701 VanDerWaalsContact CG-OG 3.26Å; D699-S701 PolarHBondContact O-N 3.19Å; D699-S701 VanDerWaalsContact O-N 3.13Å; D699-S701 VanDerWaalsContact OD1-CB 3.31Å; D699-S701 WeakPolarHBondContact OD1-CB 3.45Å; D699-S701 PolarHBondContact OD1-N 3.17Å; D699-S701 PolarHBondContact OD1-OG 2.92Å; D699-S701 PolarHBondContact OD2-OG 3.41Å; D699-R702 CarbonylContact O-C 3.59Å; D699-R702 PolarHBondContact O-N 3.41Å
700	L	95.9	Very high	94	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.9	-178.9	-62.3	177.4	0	0	0	113	L420 L423 Y429 F619 L698 R702 L703 I721 N731 A734 L736	L420-L700 HydrophobicContact CB-CB 4.17Å; L420-L700 WeakPolarHBondContact CB-O 3.42Å; L420-L700 HydrophobicContact CD2-CD1 4.13Å; L420-L700 HydrophobicContact CD2-CD2 4.1Å; L420-L700 PolarHBondContact N-O 3.34Å; L423-L700 HydrophobicContact CD1-CB 3.97Å; L423-L700 WeakPolarHBondContact CD1-O 3.33Å; L423-L700 HydrophobicContact CD2-CB 4.17Å; L423-L700 HydrophobicContact CD2-CD1 4.27Å; L423-L700 HydrophobicContact CG-CB 4.24Å; Y429-L700 HydrophobicContact CE1-CB 4.13Å; Y429-L700 HydrophobicContact CE2-CB 4.38Å; Y429-L700 WeakPolarHBondContact OH-CB 3.34Å; Y429-L700 PolarHBondContact OH-N 2.8Å; F619-L700 HydrophobicContact CE2-CD2 3.94Å; F619-L700 HydrophobicContact CZ-CD2 3.85Å; L698-L700 HydrophobicContact CD1-CD2 4.44Å; L698-L700 HydrophobicContact CD2-CD2 3.68Å; L698-L700 HydrophobicContact CD2-CG 4.48Å; L698-L700 HydrophobicContact CG-CD2 3.9Å; L698-L700 HydrophobicContact CG-CG 4.47Å; L700-R702 VanDerWaalsContact C-N 3.29Å; L700-L703 HydrophobicContact CD2-CD1 4.18Å; L700-I721 HydrophobicContact CD1-CD1 4.26Å; L700-N731 WeakPolarHBondContact CD1-OD1 3.41Å; L700-N731 WeakPolarHBondContact CG-OD1 3.34Å; L700-A734 HydrophobicContact CD1-CB 4.33Å; L700-L736 HydrophobicContact CD1-CD2 4.31Å
701	S	91.8	Very high	94.1	Very high	17 Å²	17	22.8 Å²	22.8	12%	0.119	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.9	170.9	74.4	0	0	0	0	113	V418 N419 D699	V418-S701 CarbonylContact C-O 3.57Å; N419-S701 PolarHBondContact N-O 2.82Å; N419-S701 WeakPolarHBondContact OD1-CA 3.45Å; N419-S701 VanDerWaalsContact OD1-CB 3.28Å; N419-S701 WeakPolarHBondContact OD1-CB 3.04Å; N419-S701 PolarHBondContact OD1-O 2.84Å; D699-S701 VanDerWaalsContact CG-OG 3.26Å; D699-S701 PolarHBondContact O-N 3.19Å; D699-S701 VanDerWaalsContact O-N 3.13Å; D699-S701 VanDerWaalsContact OD1-CB 3.31Å; D699-S701 WeakPolarHBondContact OD1-CB 3.45Å; D699-S701 PolarHBondContact OD1-N 3.17Å; D699-S701 PolarHBondContact OD1-OG 2.92Å; D699-S701 PolarHBondContact OD2-OG 3.41Å
702	R	91.3	Very high	94.3	Very high	42 Å²	42	31 Å²	31	16%	0.158	16%	0.16	C	C	.	.	S	Bend	trans	-135.2	69.8	-172.8	-63.6	-172.3	67.5	110.5	-5.1	112	N159 W377 L417 D699 L700	N159-R702 PolarHBondContact O-NH1 2.95Å; W377-R702 PolarHBondContact O-NH2 3.5Å; L417-R702 HydrophobicContact CB-CB 4.36Å; L417-R702 HydrophobicContact CD1-CB 4.08Å; D699-R702 CarbonylContact O-C 3.59Å; D699-R702 PolarHBondContact O-N 3.41Å; L700-R702 VanDerWaalsContact C-N 3.29Å
703	L	94.3	Very high	94.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	153.9	177.9	-59.9	-177.9	0	0	0	112.9	L417 V418 L420 F619 D691 L698 L700 K705 L707	L417-L703 CarbonylContact C-O 3.34Å; L417-L703 WeakPolarHBondContact CA-O 3.49Å; V418-L703 PolarHBondContact N-O 3.43Å; V418-L703 PolarHBondContact O-N 2.98Å; L420-L703 HydrophobicContact CB-CD1 3.7Å; L420-L703 HydrophobicContact CD1-CD1 3.78Å; L420-L703 HydrophobicContact CG-CD1 4.27Å; F619-L703 HydrophobicContact CE1-CD1 4.28Å; F619-L703 HydrophobicContact CE1-CD2 4.1Å; F619-L703 HydrophobicContact CZ-CD1 3.86Å; F619-L703 HydrophobicContact CZ-CD2 4.43Å; D691-L703 HydrophobicContact CB-CD2 4.46Å; D691-L703 CarbonylContact O-C 3.48Å; D691-L703 VanDerWaalsContact O-CA 3.26Å; D691-L703 WeakPolarHBondContact O-CA 3.47Å; L698-L703 HydrophobicContact CD1-CD2 3.83Å; L700-L703 HydrophobicContact CD2-CD1 4.18Å; L703-K705 PolarHBondContact O-N 3.46Å; L703-L707 HydrophobicContact CD1-CD2 4.35Å
704	D	94.6	Very high	95	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	133.8	173.2	-176.9	-99.3	0	0	0	111.7	R415 D691 V706 L707 A708	R415-D704 VanDerWaalsContact CD-OD2 3.25Å; R415-D704 WeakPolarHBondContact CD-OD2 3.4Å; R415-D704 IonicContact NE-OD2 3.51Å; D691-D704 PolarHBondContact O-N 3.06Å; D704-V706 VanDerWaalsContact C-N 3.26Å; D704-V706 PolarHBondContact O-N 3.36Å; D704-V706 WeakPolarHBondContact OD1-CA 3.45Å; D704-V706 WeakPolarHBondContact OD1-CB 3.46Å; D704-V706 WeakPolarHBondContact OD1-CG2 3.48Å; D704-V706 PolarHBondContact OD1-N 3.3Å; D704-L707 HydrophobicContact CB-CB 4.42Å; D704-L707 WeakPolarHBondContact O-CB 3.43Å; D704-L707 PolarHBondContact O-N 3.04Å; D704-L707 VanDerWaalsContact O-N 3.14Å; D704-L707 PolarHBondContact OD1-N 3.44Å; D704-A708 PolarHBondContact O-N 2.67Å
705	K	94	Very high	95.3	Very high	87 Å²	87	40.8 Å²	40.8	38%	0.378	19%	0.19	S	C	.	.	H	α-helix	trans	-59.2	-35.2	-178.8	-177.7	-179.9	-175.3	175.6	0	113.1	Q416 V418 L703 L707 A708 M709	Q416-K705 HydrophobicContact CB-CB 4.39Å; Q416-K705 HydrophobicContact CB-CD 4.34Å; Q416-K705 HydrophobicContact CG-CD 4.42Å; Q416-K705 WeakPolarHBondContact O-CB 3.48Å; Q416-K705 PolarHBondContact O-N 3.34Å; V418-K705 HydrophobicContact CG2-CB 4.41Å; L703-K705 PolarHBondContact O-N 3.46Å; K705-L707 VanDerWaalsContact C-N 3.34Å; K705-A708 PolarHBondContact O-N 3.48Å; K705-M709 HydrophobicContact CG-CE 4.24Å; K705-M709 HydrophobicContact CG-CG 4.37Å; K705-M709 HydrophobicContact CG-SD 4.3Å; K705-M709 VanDerWaalsContact O-CG 3.3Å; K705-M709 WeakPolarHBondContact O-CG 3.38Å; K705-M709 PolarHBondContact O-N 3.41Å
706	V	95.3	Very high	95.6	Very high	82 Å²	82	40.8 Å²	40.8	50%	0.497	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-43.1	178.4	-175.9	0	0	0	0	109.9	D704 A708 M709 L710	D704-V706 VanDerWaalsContact C-N 3.26Å; D704-V706 PolarHBondContact O-N 3.36Å; D704-V706 WeakPolarHBondContact OD1-CA 3.45Å; D704-V706 WeakPolarHBondContact OD1-CB 3.46Å; D704-V706 WeakPolarHBondContact OD1-CG2 3.48Å; D704-V706 PolarHBondContact OD1-N 3.3Å; V706-A708 PolarHBondContact O-N 3.44Å; V706-M709 HydrophobicContact CB-CE 4.48Å; V706-M709 HydrophobicContact CG2-CE 4.28Å; V706-M709 PolarHBondContact O-N 3.01Å; V706-L710 WeakPolarHBondContact O-CB 3.22Å; V706-L710 PolarHBondContact O-N 3.04Å
707	L	97.3	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-49	173.6	179.5	59	0	0	0	111.5	L617 F619 V646 A648 V689 D691 L703 D704 K705 M709 L710 V711	L617-L707 HydrophobicContact CD1-CD1 3.75Å; F619-L707 HydrophobicContact CE1-CD2 3.94Å; F619-L707 HydrophobicContact CZ-CD2 4.29Å; V646-L707 HydrophobicContact CG1-CD1 3.9Å; A648-L707 HydrophobicContact CB-CD1 4.27Å; A648-L707 HydrophobicContact CB-CD2 3.88Å; V689-L707 HydrophobicContact CB-CD1 4.16Å; V689-L707 HydrophobicContact CG1-CB 3.88Å; V689-L707 HydrophobicContact CG1-CD1 4.09Å; D691-L707 HydrophobicContact CB-CD2 4.14Å; L703-L707 HydrophobicContact CD1-CD2 4.35Å; D704-L707 HydrophobicContact CB-CB 4.42Å; D704-L707 WeakPolarHBondContact O-CB 3.43Å; D704-L707 PolarHBondContact O-N 3.04Å; D704-L707 VanDerWaalsContact O-N 3.14Å; D704-L707 PolarHBondContact OD1-N 3.44Å; K705-L707 VanDerWaalsContact C-N 3.34Å; L707-M709 VanDerWaalsContact C-N 3.31Å; L707-M709 PolarHBondContact O-N 2.71Å; L707-L710 PolarHBondContact O-N 3.18Å; L707-V711 HydrophobicContact CD1-CG2 4.42Å; L707-V711 VanDerWaalsContact O-CG2 3.3Å; L707-V711 WeakPolarHBondContact O-CG2 3.45Å; L707-V711 PolarHBondContact O-N 3.5Å
708	A	96.5	Very high	96	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-35.2	179.3	0	0	0	0	0	113.3	V418 P421 D704 K705 V706 R712	V418-A708 HydrophobicContact CG2-CB 3.43Å; V418-A708 VanDerWaalsContact CG2-CB 3.43Å; P421-A708 HydrophobicContact CG-CB 4.07Å; P421-A708 WeakPolarHBondContact CG-O 3.32Å; D704-A708 PolarHBondContact O-N 2.67Å; K705-A708 PolarHBondContact O-N 3.48Å; V706-A708 PolarHBondContact O-N 3.44Å; A708-R712 WeakPolarHBondContact O-CG 3.24Å; A708-R712 PolarHBondContact O-N 2.8Å
709	M	96.8	Very high	96.1	Very high	80 Å²	80	42.6 Å²	42.6	39%	0.394	20%	0.199	S	C	.	.	H	α-helix	trans	-66.8	-46.6	173.6	-71.8	-175.6	-54.6	0	0	111.1	K705 V706 L707 V711 R712 E713	K705-M709 HydrophobicContact CG-CE 4.24Å; K705-M709 HydrophobicContact CG-CG 4.37Å; K705-M709 HydrophobicContact CG-SD 4.3Å; K705-M709 VanDerWaalsContact O-CG 3.3Å; K705-M709 WeakPolarHBondContact O-CG 3.38Å; K705-M709 PolarHBondContact O-N 3.41Å; V706-M709 HydrophobicContact CB-CE 4.48Å; V706-M709 HydrophobicContact CG2-CE 4.28Å; V706-M709 PolarHBondContact O-N 3.01Å; L707-M709 VanDerWaalsContact C-N 3.31Å; L707-M709 PolarHBondContact O-N 2.71Å; M709-V711 VanDerWaalsContact C-N 3.31Å; M709-V711 PolarHBondContact O-N 3.18Å; M709-R712 WeakPolarHBondContact O-CB 3.46Å; M709-R712 PolarHBondContact O-N 2.95Å; M709-E713 WeakPolarHBondContact O-CG 3.22Å; M709-E713 PolarHBondContact O-N 2.85Å
710	L	96.9	Very high	96.3	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-41.7	179.7	-173.7	65.2	0	0	0	111.9	V646 T687 V689 V706 L707 R712 E713 R714	V646-L710 HydrophobicContact CB-CD2 4.37Å; V646-L710 HydrophobicContact CG1-CD2 3.71Å; V646-L710 HydrophobicContact CG2-CD2 3.67Å; V646-L710 HydrophobicContact CG2-CG 4.13Å; T687-L710 HydrophobicContact CG2-CD2 3.84Å; V689-L710 HydrophobicContact CG2-CD2 3.55Å; V706-L710 WeakPolarHBondContact O-CB 3.22Å; V706-L710 PolarHBondContact O-N 3.04Å; L707-L710 PolarHBondContact O-N 3.18Å; L710-R712 VanDerWaalsContact C-N 3.25Å; L710-R712 PolarHBondContact O-N 2.81Å; L710-E713 PolarHBondContact O-N 2.91Å; L710-R714 HydrophobicContact CD1-CG 3.72Å; L710-R714 HydrophobicContact CG-CG 4Å; L710-R714 WeakPolarHBondContact O-CB 3.48Å; L710-R714 VanDerWaalsContact O-CG 3.26Å; L710-R714 WeakPolarHBondContact O-CG 3.44Å; L710-R714 PolarHBondContact O-N 2.96Å
711	V	97.8	Very high	96.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-56.2	-39.6	175.1	167.9	0	0	0	0	112.1	L420 P421 L422 L617 L707 M709 Q715 T716	L420-V711 HydrophobicContact CD1-CG1 4.4Å; L420-V711 HydrophobicContact CD1-CG2 4.35Å; P421-V711 HydrophobicContact CG-CG1 4.42Å; L422-V711 HydrophobicContact CD1-CG1 3.57Å; L422-V711 HydrophobicContact CG-CG1 3.81Å; L617-V711 HydrophobicContact CD2-CG2 3.72Å; L707-V711 HydrophobicContact CD1-CG2 4.42Å; L707-V711 VanDerWaalsContact O-CG2 3.3Å; L707-V711 WeakPolarHBondContact O-CG2 3.45Å; L707-V711 PolarHBondContact O-N 3.5Å; M709-V711 VanDerWaalsContact C-N 3.31Å; M709-V711 PolarHBondContact O-N 3.18Å; V711-Q715 PolarHBondContact O-N 3.37Å; V711-T716 PolarHBondContact O-N 3Å; V711-T716 VanDerWaalsContact O-N 3.16Å; V711-T716 PolarHBondContact O-OG1 2.86Å
712	R	96.8	Very high	96.7	Very high	173 Å²	173	41 Å²	41	65%	0.653	19%	0.189	S	C	*	.	H	α-helix	trans	-72.8	-45.7	177.4	-66.4	176.8	-178.8	-156.2	-1.7	111.8	P421 A708 M709 L710 Q715	P421-R712 HydrophobicContact CB-CG 3.86Å; P421-R712 HydrophobicContact CG-CG 3.79Å; A708-R712 WeakPolarHBondContact O-CG 3.24Å; A708-R712 PolarHBondContact O-N 2.8Å; M709-R712 WeakPolarHBondContact O-CB 3.46Å; M709-R712 PolarHBondContact O-N 2.95Å; L710-R712 VanDerWaalsContact C-N 3.25Å; L710-R712 PolarHBondContact O-N 2.81Å; R712-Q715 PolarHBondContact O-N 3.49Å
713	E	97	Very high	96.9	Very high	137 Å²	137	39 Å²	39	64%	0.64	18%	0.181	S	C	*	.	H	α-helix	trans	-63.1	-43.9	-177.7	-71.6	172.8	-178.6	0	0	111.7	M709 L710 Q715	M709-E713 WeakPolarHBondContact O-CG 3.22Å; M709-E713 PolarHBondContact O-N 2.85Å; L710-E713 PolarHBondContact O-N 2.91Å; E713-Q715 PolarHBondContact O-N 2.82Å
714	R	96.6	Very high	96.9	Very high	48 Å²	48	39.5 Å²	39.5	18%	0.181	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.7	178.8	-62.4	-73.9	173.8	179.4	1.3	113.1	R614 C615 E644 D684 L710 T716	R614-R714 WeakPolarHBondContact CD-O 3.48Å; R614-R714 PolarHBondContact NE-O 2.86Å; C615-R714 HydrophobicContact CB-CB 4Å; E644-R714 WeakPolarHBondContact OE2-CD 3.43Å; E644-R714 IonicContact OE2-CZ 2.68Å; E644-R714 IonicContact OE2-NE 3.9Å; E644-R714 IonicContact OE2-NH1 3.63Å; E644-R714 PolarHBondContact OE2-NH1 3.31Å; D684-R714 VanDerWaalsContact CG-NH2 3.32Å; D684-R714 PolarHBondContact O-NH1 2.87Å; D684-R714 IonicContact OD1-NH2 3.92Å; D684-R714 IonicContact OD2-CZ 2.75Å; D684-R714 IonicContact OD2-NH2 3.69Å; D684-R714 PolarHBondContact OD2-NH2 2.87Å; L710-R714 HydrophobicContact CD1-CG 3.72Å; L710-R714 HydrophobicContact CG-CG 4Å; L710-R714 WeakPolarHBondContact O-CB 3.48Å; L710-R714 VanDerWaalsContact O-CG 3.26Å; L710-R714 WeakPolarHBondContact O-CG 3.44Å; L710-R714 PolarHBondContact O-N 2.96Å; R714-T716 VanDerWaalsContact C-N 3.29Å; R714-T716 PolarHBondContact O-N 2.93Å
715	Q	97.1	Very high	96.9	Very high	121 Å²	121	39.6 Å²	39.6	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	52	-172.5	-54.9	-170.4	-54.6	0	0	110.9	V711 R712 E713 D717	V711-Q715 PolarHBondContact O-N 3.37Å; R712-Q715 PolarHBondContact O-N 3.49Å; E713-Q715 PolarHBondContact O-N 2.82Å; Q715-D717 PolarHBondContact O-N 2.97Å
716	T	98.3	Very high	97.1	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.049	17%	0.169	C	C	.	.			trans	-51.1	128.4	178.9	-59.1	0	0	0	0	111.1	L422 C615 L617 V711 R714 L718 V719	L422-T716 HydrophobicContact CD1-CG2 3.92Å; C615-T716 WeakPolarHBondContact O-CA 3.38Å; C615-T716 WeakPolarHBondContact O-CG2 3.36Å; C615-T716 PolarHBondContact SG-OG1 3.42Å; L617-T716 HydrophobicContact CB-CG2 3.71Å; V711-T716 PolarHBondContact O-N 3Å; V711-T716 VanDerWaalsContact O-N 3.16Å; V711-T716 PolarHBondContact O-OG1 2.86Å; R714-T716 VanDerWaalsContact C-N 3.29Å; R714-T716 PolarHBondContact O-N 2.93Å; T716-L718 WeakPolarHBondContact CG2-O 3.48Å; T716-V719 HydrophobicContact CG2-CG2 4.46Å
717	D	98.3	Very high	97.2	Very high	47 Å²	47	31.6 Å²	31.6	25%	0.251	15%	0.145	S	C	.	.			trans	-122.5	-1.2	-175.7	61.2	-18.1	0	0	0	113.4	H613 R614 C615 Q715 E739	H613-D717 WeakPolarHBondContact CB-OD1 3.38Å; R614-D717 PolarHBondContact N-OD1 3.19Å; R614-D717 PolarHBondContact N-OD2 3.15Å; C615-D717 PolarHBondContact N-OD1 3.02Å; C615-D717 PolarHBondContact O-N 2.81Å; Q715-D717 PolarHBondContact O-N 2.97Å; D717-E739 PolarHBondContact O-N 2.97Å
718	L	98.7	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.4	170.4	177.5	64	0	0	0	111	W604 H613 C615 A616 L617 T716 I720 E739	W604-L718 HydrophobicContact CH2-CD1 4.42Å; W604-L718 HydrophobicContact CH2-CD2 3.73Å; W604-L718 HydrophobicContact CZ3-CD1 4.19Å; W604-L718 HydrophobicContact CZ3-CD2 4.26Å; H613-L718 HydrophobicContact CB-CB 4.3Å; C615-L718 PolarHBondContact O-N 2.87Å; A616-L718 CarbonylContact C-O 3.51Å; A616-L718 WeakPolarHBondContact CA-O 3.39Å; A616-L718 HydrophobicContact CB-CB 4.23Å; A616-L718 HydrophobicContact CB-CD2 3.96Å; A616-L718 HydrophobicContact CB-CG 4.3Å; L617-L718 PolarHBondContact N-O 3.24Å; T716-L718 WeakPolarHBondContact CG2-O 3.48Å; L718-I720 HydrophobicContact CD1-CG1 4.4Å; L718-I720 HydrophobicContact CD2-CD1 3.89Å; L718-I720 HydrophobicContact CD2-CG1 4Å; L718-I720 HydrophobicContact CG-CD1 4.36Å; L718-I720 HydrophobicContact CG-CG1 3.91Å; L718-E739 WeakPolarHBondContact CA-O 3.31Å; L718-E739 HydrophobicContact CD1-CB 4.05Å
719	V	98.8	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123	170.1	173.2	0	0	0	0	109.9	L422 L617 F619 T716 I721 L736 C738 E739 S740 L741	L422-V719 HydrophobicContact CD1-CG2 3.66Å; L617-V719 HydrophobicContact CB-CG2 4.33Å; L617-V719 HydrophobicContact CD2-CG2 4.3Å; L617-V719 CarbonylContact O-C 3.52Å; L617-V719 WeakPolarHBondContact O-CA 3.4Å; F619-V719 HydrophobicContact CD2-CG1 4.29Å; F619-V719 HydrophobicContact CE2-CG1 4.1Å; T716-V719 HydrophobicContact CG2-CG2 4.46Å; V719-I721 HydrophobicContact CG1-CD1 4.35Å; V719-I721 HydrophobicContact CG1-CG1 3.96Å; V719-L736 HydrophobicContact CB-CD1 3.63Å; V719-L736 HydrophobicContact CG1-CD1 3.71Å; V719-L736 HydrophobicContact CG2-CD1 3.99Å; V719-C738 VanDerWaalsContact CG2-SG 3.57Å; V719-E739 PolarHBondContact N-O 3.26Å; V719-S740 CarbonylContact O-C 3.59Å; V719-S740 WeakPolarHBondContact O-CA 3.43Å; V719-L741 PolarHBondContact O-N 2.87Å
720	I	98.8	Very high	97	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.7	178	-49.9	-177.1	0	0	0	108.1	L617 F618 F619 F634 L638 L718 L741 M743	L617-I720 PolarHBondContact O-N 3.12Å; F618-I720 WeakPolarHBondContact CA-O 3.28Å; F618-I720 HydrophobicContact CB-CB 4.25Å; F618-I720 HydrophobicContact CD1-CB 4.06Å; F618-I720 HydrophobicContact CD1-CD1 3.82Å; F618-I720 HydrophobicContact CD1-CG1 4.5Å; F618-I720 HydrophobicContact CD1-CG2 4Å; F618-I720 HydrophobicContact CD2-CB 4.12Å; F618-I720 HydrophobicContact CD2-CG2 3.96Å; F618-I720 HydrophobicContact CE1-CB 4.45Å; F618-I720 HydrophobicContact CE1-CD1 4.19Å; F618-I720 HydrophobicContact CE1-CG2 3.88Å; F618-I720 HydrophobicContact CE2-CG2 3.86Å; F618-I720 HydrophobicContact CG-CB 3.86Å; F618-I720 HydrophobicContact CG-CD1 4.4Å; F618-I720 HydrophobicContact CG-CG2 4.02Å; F618-I720 HydrophobicContact CZ-CG2 3.8Å; F619-I720 PolarHBondContact N-O 3.19Å; F634-I720 HydrophobicContact CE1-CD1 3.72Å; F634-I720 HydrophobicContact CZ-CD1 4.43Å; L638-I720 HydrophobicContact CD1-CD1 4.04Å; L718-I720 HydrophobicContact CD1-CG1 4.4Å; L718-I720 HydrophobicContact CD2-CD1 3.89Å; L718-I720 HydrophobicContact CD2-CG1 4Å; L718-I720 HydrophobicContact CG-CD1 4.36Å; L718-I720 HydrophobicContact CG-CG1 3.91Å; I720-L741 CarbonylContact C-O 3.58Å; I720-L741 VanDerWaalsContact CA-O 3.27Å; I720-L741 WeakPolarHBondContact CA-O 3.24Å; I720-L741 HydrophobicContact CG1-CB 4.33Å; I720-L741 HydrophobicContact CG2-CB 4.42Å; I720-L741 HydrophobicContact CG2-CD2 4.43Å; I720-L741 HydrophobicContact CG2-CG 4.49Å; I720-M743 HydrophobicContact CG2-CE 3.53Å
721	I	98.6	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.1	177.8	-48.1	179	0	0	0	107.9	F619 L698 L700 V719 R726 A727 N731 L741 K742 M743	F619-I721 HydrophobicContact CD2-CG1 4.19Å; L698-I721 HydrophobicContact CD2-CG2 4.14Å; L700-I721 HydrophobicContact CD1-CD1 4.26Å; V719-I721 HydrophobicContact CG1-CD1 4.35Å; V719-I721 HydrophobicContact CG1-CG1 3.96Å; I721-R726 HydrophobicContact CG2-CB 3.68Å; I721-R726 WeakPolarHBondContact CG2-O 3.2Å; I721-A727 HydrophobicContact CB-CB 4.29Å; I721-A727 HydrophobicContact CG2-CB 3.92Å; I721-N731 HydrophobicContact CD1-CB 3.94Å; I721-L741 PolarHBondContact N-O 3.33Å; I721-K742 HydrophobicContact CB-CG 4.35Å; I721-K742 WeakPolarHBondContact O-CA 3.29Å; I721-M743 PolarHBondContact O-N 3.17Å
722	E	96.9	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.5	-176.1	-174.6	-89.3	131.6	0	0	110.6	V559 N563 F618 F619 D621 R726 M743	V559-E722 HydrophobicContact CG1-CG 3.68Å; N563-E722 WeakPolarHBondContact CB-OE1 3.24Å; N563-E722 VanDerWaalsContact CG-OE1 3.29Å; N563-E722 PolarHBondContact ND2-OE1 3.37Å; F618-E722 HydrophobicContact CE2-CB 3.55Å; F618-E722 HydrophobicContact CE2-CG 4.21Å; F618-E722 HydrophobicContact CZ-CB 4.23Å; F619-E722 PolarHBondContact O-N 2.89Å; D621-E722 WeakPolarHBondContact CA-OE2 3.19Å; D621-E722 VanDerWaalsContact CB-CD 3.48Å; D621-E722 WeakPolarHBondContact CB-OE1 3.35Å; D621-E722 WeakPolarHBondContact CB-OE2 3.31Å; D621-E722 PolarHBondContact N-OE2 3.4Å; E722-R726 WeakPolarHBondContact O-CB 3.1Å; E722-R726 WeakPolarHBondContact O-CD 3.49Å; E722-M743 WeakPolarHBondContact CA-O 3.32Å
723	G	95.5	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	102.7	147.4	174.6	0	0	0	0	0	116.1	N563 D621 G725 R726 A727 M743	N563-G723 WeakPolarHBondContact ND2-CA 3.49Å; D621-G723 WeakPolarHBondContact OD2-CA 3.2Å; G723-G725 VanDerWaalsContact C-N 3.32Å; G723-G725 PolarHBondContact O-N 3.41Å; G723-R726 PolarHBondContact O-N 3Å; G723-A727 VanDerWaalsContact O-CB 3.26Å; G723-A727 WeakPolarHBondContact O-CB 3.29Å; G723-A727 PolarHBondContact O-N 2.95Å; G723-M743 PolarHBondContact N-O 2.87Å
724	M	95	Very high	96.8	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.059	10%	0.097	C	C	.	.	I	π-helix	trans	-61.9	-39.8	-179	-175.3	178.1	67.6	0	0	111.6	I728 H729 K747 L751	M724-I728 HydrophobicContact CG-CB 4.23Å; M724-I728 HydrophobicContact CG-CD1 4.28Å; M724-I728 CarbonylContact O-C 3.5Å; M724-I728 WeakPolarHBondContact O-CA 3.2Å; M724-I728 WeakPolarHBondContact O-CB 3.43Å; M724-I728 PolarHBondContact O-N 2.83Å; M724-I728 VanDerWaalsContact O-N 3.11Å; M724-H729 PolarHBondContact O-N 3.45Å; M724-K747 HydrophobicContact CE-CB 4.09Å; M724-K747 HydrophobicContact CE-CD 4.46Å; M724-K747 HydrophobicContact SD-CB 4.13Å; M724-K747 PolarHBondContact SD-N 2.99Å; M724-L751 HydrophobicContact SD-CD2 4.45Å
725	G	95	Very high	96.8	Very high	9 Å²	9	25 Å²	25	9%	0.093	12%	0.117	C	C	.	.	I	π-helix	trans	-61.9	-48.4	177	0	0	0	0	0	112.8	P696 C697 G723 T730	P696-G725 CarbonylContact O-C 3.45Å; P696-G725 WeakPolarHBondContact O-CA 3.36Å; C697-G725 PolarHBondContact SG-O 2.91Å; C697-G725 VanDerWaalsContact SG-O 3.39Å; G723-G725 VanDerWaalsContact C-N 3.32Å; G723-G725 PolarHBondContact O-N 3.41Å; G725-T730 PolarHBondContact O-N 2.66Å; G725-T730 VanDerWaalsContact O-N 3.11Å; G725-T730 PolarHBondContact O-OG1 2.82Å
726	R	97.3	Very high	96.7	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	9%	0.092	C	C	.	.	I	π-helix	trans	-84.4	-31.5	-172.3	-57.8	176	164	64.6	1.1	114.4	V620 D621 N650 D657 P696 L698 I721 E722 G723 T730 N731	V620-R726 VanDerWaalsContact O-CZ 3.27Å; V620-R726 PolarHBondContact O-NE 2.76Å; D621-R726 IonicContact OD1-CZ 3.51Å; D621-R726 IonicContact OD1-NH1 3.11Å; D621-R726 PolarHBondContact OD1-NH1 3.03Å; N650-R726 PolarHBondContact ND2-NH2 3.24Å; N650-R726 PolarHBondContact OD1-NH2 3.26Å; D657-R726 IonicContact OD1-NH1 3.26Å; D657-R726 IonicContact OD2-CZ 3.86Å; D657-R726 IonicContact OD2-NH1 2.83Å; D657-R726 PolarHBondContact OD2-NH1 3.38Å; D657-R726 IonicContact OD2-NH2 3.27Å; D657-R726 PolarHBondContact OD2-NH2 3.06Å; P696-R726 PolarHBondContact O-NH1 2.81Å; L698-R726 HydrophobicContact CB-CB 3.93Å; L698-R726 HydrophobicContact CB-CG 3.95Å; L698-R726 HydrophobicContact CD2-CB 4.49Å; I721-R726 HydrophobicContact CG2-CB 3.68Å; I721-R726 WeakPolarHBondContact CG2-O 3.2Å; E722-R726 WeakPolarHBondContact O-CB 3.1Å; E722-R726 WeakPolarHBondContact O-CD 3.49Å; G723-R726 PolarHBondContact O-N 3Å; R726-T730 CarbonylContact C-O 3.54Å; R726-T730 WeakPolarHBondContact CA-OG1 3.39Å; R726-T730 CarbonylContact O-C 3.42Å; R726-T730 PolarHBondContact O-OG1 3.14Å; R726-N731 WeakPolarHBondContact O-CB 3.23Å; R726-N731 PolarHBondContact O-ND2 3.04Å
727	A	97.2	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-111.9	-19.3	-172.3	0	0	0	0	0	115	I721 G723 T730 Y732 K742 A744	I721-A727 HydrophobicContact CB-CB 4.29Å; I721-A727 HydrophobicContact CG2-CB 3.92Å; G723-A727 VanDerWaalsContact O-CB 3.26Å; G723-A727 WeakPolarHBondContact O-CB 3.29Å; G723-A727 PolarHBondContact O-N 2.95Å; A727-T730 CarbonylContact C-O 3.54Å; A727-T730 VanDerWaalsContact CA-O 3.24Å; A727-T730 WeakPolarHBondContact CA-O 3.19Å; A727-T730 PolarHBondContact N-O 3.2Å; A727-Y732 WeakPolarHBondContact O-CA 3.27Å; A727-Y732 PolarHBondContact O-N 3.27Å; A727-K742 HydrophobicContact CB-CB 4.15Å; A727-K742 HydrophobicContact CB-CG 4.45Å; A727-A744 HydrophobicContact CB-CB 4.45Å
728	I	95.9	Very high	96.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.102	C	C	.	.	I	π-helix	trans	-113.8	-56.4	179.5	-53.5	-174.5	0	0	0	111.5	T433 M724 T730 A744 I746 L751 L755 V763	T433-I728 WeakPolarHBondContact CB-O 3.48Å; T433-I728 PolarHBondContact OG1-O 3.26Å; M724-I728 HydrophobicContact CG-CB 4.23Å; M724-I728 HydrophobicContact CG-CD1 4.28Å; M724-I728 CarbonylContact O-C 3.5Å; M724-I728 WeakPolarHBondContact O-CA 3.2Å; M724-I728 WeakPolarHBondContact O-CB 3.43Å; M724-I728 PolarHBondContact O-N 2.83Å; M724-I728 VanDerWaalsContact O-N 3.11Å; I728-T730 PolarHBondContact N-O 2.85Å; I728-T730 PolarHBondContact O-N 2.85Å; I728-A744 HydrophobicContact CD1-CB 3.53Å; I728-A744 HydrophobicContact CG1-CB 3.69Å; I728-I746 HydrophobicContact CD1-CD1 4.39Å; I728-I746 HydrophobicContact CD1-CG1 3.52Å; I728-L751 HydrophobicContact CG2-CD2 3.95Å; I728-L755 HydrophobicContact CG2-CD1 3.94Å; I728-V763 HydrophobicContact CD1-CB 4.16Å; I728-V763 HydrophobicContact CD1-CG2 3.78Å; I728-V763 HydrophobicContact CG1-CG2 4.47Å
729	H	95.4	Very high	96.5	Very high	19 Å²	19	21.7 Å²	21.7	9%	0.088	11%	0.108	C	C	.	.	I	π-helix	trans	-65.1	-33.8	176	-72.7	-54.3	0	0	0	111.5	T433 W446 M724	T433-H729 PolarHBondContact N-O 2.79Å; T433-H729 PolarHBondContact OG1-O 2.78Å; W446-H729 AromaticContact CH2-CE1 3.41Å; W446-H729 VanDerWaalsContact CH2-CE1 3.41Å; W446-H729 WeakPolarHBondContact CH2-CE1 3.34Å; W446-H729 AromaticContact CH2-NE2 3.82Å; W446-H729 AromaticContact CZ2-CE1 3.49Å; W446-H729 VanDerWaalsContact CZ2-CE1 3.49Å; W446-H729 WeakPolarHBondContact CZ2-CE1 3.15Å; M724-H729 PolarHBondContact O-N 3.45Å
730	T	96.2	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-123.7	159.2	169	53.8	0	0	0	0	111.6	P431 C697 L698 G725 R726 A727 I728 Y732	P431-T730 HydrophobicContact CB-CG2 4.4Å; P431-T730 CarbonylContact O-C 3.46Å; P431-T730 WeakPolarHBondContact O-CA 3.18Å; P431-T730 WeakPolarHBondContact O-CB 3.49Å; C697-T730 HydrophobicContact CB-CG2 3.76Å; L698-T730 PolarHBondContact N-OG1 2.87Å; L698-T730 VanDerWaalsContact N-OG1 3.14Å; L698-T730 WeakPolarHBondContact O-CB 3.44Å; L698-T730 PolarHBondContact O-OG1 3.17Å; G725-T730 PolarHBondContact O-N 2.66Å; G725-T730 VanDerWaalsContact O-N 3.11Å; G725-T730 PolarHBondContact O-OG1 2.82Å; R726-T730 CarbonylContact C-O 3.54Å; R726-T730 WeakPolarHBondContact CA-OG1 3.39Å; R726-T730 CarbonylContact O-C 3.42Å; R726-T730 PolarHBondContact O-OG1 3.14Å; A727-T730 CarbonylContact C-O 3.54Å; A727-T730 VanDerWaalsContact CA-O 3.24Å; A727-T730 WeakPolarHBondContact CA-O 3.19Å; A727-T730 PolarHBondContact N-O 3.2Å; I728-T730 PolarHBondContact N-O 2.85Å; I728-T730 PolarHBondContact O-N 2.85Å; T730-Y732 PolarHBondContact O-N 2.91Å
731	N	97.4	Very high	96.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.109	C	C	.	.	S	Bend	trans	63.8	3.1	171.2	-54	-60.7	0	0	0	118.3	Y429 P431 L698 L700 I721 R726 Y733 A734 K742	Y429-N731 PolarHBondContact OH-OD1 2.93Å; P431-N731 PolarHBondContact O-N 3.35Å; L698-N731 PolarHBondContact O-ND2 3.01Å; L700-N731 WeakPolarHBondContact CD1-OD1 3.41Å; L700-N731 WeakPolarHBondContact CG-OD1 3.34Å; I721-N731 HydrophobicContact CD1-CB 3.94Å; R726-N731 WeakPolarHBondContact O-CB 3.23Å; R726-N731 PolarHBondContact O-ND2 3.04Å; N731-Y733 PolarHBondContact O-N 3.41Å; N731-Y733 VanDerWaalsContact O-N 3.16Å; N731-A734 HydrophobicContact CB-CB 3.93Å; N731-A734 VanDerWaalsContact O-CB 3.3Å; N731-A734 WeakPolarHBondContact O-CB 3.26Å; N731-A734 PolarHBondContact O-N 3.34Å; N731-K742 WeakPolarHBondContact O-CE 3.17Å; N731-K742 PolarHBondContact O-NZ 3.45Å
732	Y	96.3	Very high	96.5	Very high	29 Å²	29	21.9 Å²	21.9	11%	0.114	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.5	-179.1	-172.9	-101.8	0	0	0	112.4	T433 A727 T730 K742 V763 K765	T433-Y732 HydrophobicContact CG2-CD1 4.45Å; T433-Y732 HydrophobicContact CG2-CG 4.5Å; T433-Y732 WeakPolarHBondContact OG1-CB 3.34Å; A727-Y732 WeakPolarHBondContact O-CA 3.27Å; A727-Y732 PolarHBondContact O-N 3.27Å; T730-Y732 PolarHBondContact O-N 2.91Å; Y732-K742 PolarHBondContact O-NZ 3.06Å; Y732-V763 HydrophobicContact CE2-CG1 4.01Å; Y732-K765 PolarHBondContact O-NZ 2.92Å
733	Y	95.3	Very high	96.5	Very high	150 Å²	150	21.9 Å²	21.9	59%	0.588	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	7.1	176.8	-56.2	-63.8	0	0	0	114.3	T433 N731 M735	T433-Y733 HydrophobicContact CG2-CD2 4.33Å; T433-Y733 HydrophobicContact CG2-CE2 3.79Å; N731-Y733 PolarHBondContact O-N 3.41Å; N731-Y733 VanDerWaalsContact O-N 3.16Å; Y733-M735 PolarHBondContact O-N 3.06Å
734	A	95.3	Very high	96.6	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	11%	0.109	C	C	.	.			trans	-61.7	125.6	179.6	0	0	0	0	0	110.6	Y429 L700 N731 K742	Y429-A734 HydrophobicContact CD2-CB 4.4Å; Y429-A734 HydrophobicContact CE2-CB 3.87Å; L700-A734 HydrophobicContact CD1-CB 4.33Å; N731-A734 HydrophobicContact CB-CB 3.93Å; N731-A734 VanDerWaalsContact O-CB 3.3Å; N731-A734 WeakPolarHBondContact O-CB 3.26Å; N731-A734 PolarHBondContact O-N 3.34Å; A734-K742 PolarHBondContact O-NZ 3.47Å
735	M	94.9	Very high	96.6	Very high	122 Å²	122	21.3 Å²	21.3	60%	0.601	11%	0.107	S	C	*	.			trans	-99.9	124.7	176.7	-68.5	-174.4	-84.2	0	0	110.2	Q424 Y733	Q424-M735 HydrophobicContact CB-CB 4.28Å; Q424-M735 WeakPolarHBondContact CB-O 3.32Å; Q424-M735 PolarHBondContact N-O 3.11Å; Y733-M735 PolarHBondContact O-N 3.06Å
736	L	96.4	Very high	96.5	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.042	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-115.9	150.5	-177.5	-58.8	-178.6	0	0	0	110.9	L420 L422 L423 L700 V719 C738	L420-L736 HydrophobicContact CD2-CD2 3.91Å; L422-L736 CarbonylContact O-C 3.52Å; L422-L736 WeakPolarHBondContact O-CA 3.43Å; L423-L736 HydrophobicContact CD2-CD2 3.94Å; L423-L736 HydrophobicContact CG-CD2 4.37Å; L700-L736 HydrophobicContact CD1-CD2 4.31Å; V719-L736 HydrophobicContact CB-CD1 3.63Å; V719-L736 HydrophobicContact CG1-CD1 3.71Å; V719-L736 HydrophobicContact CG2-CD1 3.99Å; L736-C738 PolarHBondContact O-N 3.15Å
737	S	96.1	Very high	96.1	Very high	64 Å²	64	21 Å²	21	45%	0.448	10%	0.102	S	C	.	.	S	Bend	trans	-77.3	-3.4	175	56.4	0	0	0	0	113.6	L422 P769	L422-S737 WeakPolarHBondContact CA-OG 3.44Å; L422-S737 PolarHBondContact O-N 2.71Å; L422-S737 PolarHBondContact O-OG 2.91Å; S737-P769 VanDerWaalsContact C-CG 3.45Å; S737-P769 VanDerWaalsContact O-CG 3.27Å; S737-P769 WeakPolarHBondContact O-CG 3.48Å
738	C	96.9	Very high	95.8	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.061	11%	0.107	C	C	.	.	S	Bend	trans	-122.3	172	175.5	69.7	0	0	0	0	111.5	L422 V719 L736 P769	L422-C738 HydrophobicContact CD1-CB 4.48Å; L422-C738 HydrophobicContact CD2-CB 4.31Å; V719-C738 VanDerWaalsContact CG2-SG 3.57Å; L736-C738 PolarHBondContact O-N 3.15Å; C738-P769 VanDerWaalsContact CA-CG 3.45Å; C738-P769 VanDerWaalsContact O-CG 3.29Å; C738-P769 WeakPolarHBondContact O-CG 3.24Å
739	E	98.2	Very high	95.4	Very high	24 Å²	24	24.6 Å²	24.6	11%	0.112	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	147.4	172.2	-64.1	179.3	-154.3	0	0	109.9	R607 H613 D717 L718 V719 Y766 E767	R607-E739 IonicContact CZ-OE1 3.42Å; R607-E739 IonicContact CZ-OE2 2.8Å; R607-E739 IonicContact NE-OE1 2.63Å; R607-E739 PolarHBondContact NE-OE1 2.93Å; R607-E739 IonicContact NE-OE2 2.86Å; R607-E739 PolarHBondContact NE-OE2 3.12Å; R607-E739 VanDerWaalsContact NE-OE2 3.15Å; R607-E739 IonicContact NH2-OE1 2.69Å; R607-E739 PolarHBondContact NH2-OE1 3.5Å; R607-E739 IonicContact NH2-OE2 3.55Å; H613-E739 IonicContact CD2-OE2 2.98Å; H613-E739 IonicContact CE1-OE2 2.77Å; H613-E739 IonicContact NE2-OE1 3.27Å; H613-E739 IonicContact NE2-OE2 2.7Å; H613-E739 PolarHBondContact NE2-OE2 2.9Å; D717-E739 PolarHBondContact O-N 2.97Å; L718-E739 WeakPolarHBondContact CA-O 3.31Å; L718-E739 HydrophobicContact CD1-CB 4.05Å; V719-E739 PolarHBondContact N-O 3.26Å; E739-Y766 HydrophobicContact CB-CE2 4.17Å; E739-Y766 PolarHBondContact OE2-OH 2.85Å; E739-E767 WeakPolarHBondContact CA-O 3.43Å
740	S	98.2	Very high	95.1	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.7	178	76.6	0	0	0	0	113	V719 Y766 E767	V719-S740 CarbonylContact O-C 3.59Å; V719-S740 WeakPolarHBondContact O-CA 3.43Å; S740-Y766 WeakPolarHBondContact O-CA 3.37Å; S740-Y766 WeakPolarHBondContact O-CD2 3.3Å; S740-E767 PolarHBondContact N-O 2.68Å; S740-E767 PolarHBondContact O-N 3.38Å
741	L	98.5	Very high	94.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.8	177.9	178.7	61.8	0	0	0	109.3	W604 F634 V719 I720 I721 M743 F764 K765	W604-L741 HydrophobicContact CD2-CD2 4.27Å; W604-L741 HydrophobicContact CH2-CD2 4.3Å; W604-L741 HydrophobicContact CZ2-CD2 4.02Å; F634-L741 HydrophobicContact CZ-CD2 4.17Å; V719-L741 PolarHBondContact O-N 2.87Å; I720-L741 CarbonylContact C-O 3.58Å; I720-L741 VanDerWaalsContact CA-O 3.27Å; I720-L741 WeakPolarHBondContact CA-O 3.24Å; I720-L741 HydrophobicContact CG1-CB 4.33Å; I720-L741 HydrophobicContact CG2-CB 4.42Å; I720-L741 HydrophobicContact CG2-CD2 4.43Å; I720-L741 HydrophobicContact CG2-CG 4.49Å; I721-L741 PolarHBondContact N-O 3.33Å; L741-M743 HydrophobicContact CD1-CG 4.16Å; L741-M743 HydrophobicContact CD2-CE 4.2Å; L741-M743 HydrophobicContact CD2-CG 4.21Å; L741-M743 HydrophobicContact CD2-SD 3.81Å; L741-M743 HydrophobicContact CG-CG 3.89Å; L741-M743 HydrophobicContact CG-SD 4.17Å; L741-F764 HydrophobicContact CD1-CD1 4.19Å; L741-F764 HydrophobicContact CD1-CD2 4.35Å; L741-F764 HydrophobicContact CD1-CE1 3.65Å; L741-F764 HydrophobicContact CD1-CE2 3.83Å; L741-F764 HydrophobicContact CD1-CZ 3.46Å; L741-F764 VanDerWaalsContact CD1-CZ 3.46Å; L741-F764 HydrophobicContact CD2-CE2 4.28Å; L741-F764 HydrophobicContact CD2-CZ 4.1Å; L741-F764 HydrophobicContact CG-CZ 4.39Å; L741-K765 WeakPolarHBondContact CA-O 3.36Å
742	K	98.4	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.9	177.3	-67.6	160.8	-170.8	155.4	0	108.8	I721 A727 N731 Y732 A734 K765 E767	I721-K742 HydrophobicContact CB-CG 4.35Å; I721-K742 WeakPolarHBondContact O-CA 3.29Å; A727-K742 HydrophobicContact CB-CB 4.15Å; A727-K742 HydrophobicContact CB-CG 4.45Å; N731-K742 WeakPolarHBondContact O-CE 3.17Å; N731-K742 PolarHBondContact O-NZ 3.45Å; Y732-K742 PolarHBondContact O-NZ 3.06Å; A734-K742 PolarHBondContact O-NZ 3.47Å; K742-K765 HydrophobicContact CB-CB 4.25Å; K742-K765 HydrophobicContact CD-CD 4.43Å; K742-K765 PolarHBondContact N-O 2.95Å; K742-K765 PolarHBondContact O-N 3.48Å; K742-E767 IonicContact NZ-OE2 2.89Å; K742-E767 PolarHBondContact NZ-OE2 3.23Å
743	M	97.9	Very high	94.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.2	-176.2	-61.4	-177.7	-65.9	0	0	110.2	V559 L560 F618 I720 I721 E722 G723 L741 V763 F764	V559-M743 HydrophobicContact CB-CE 4.5Å; V559-M743 HydrophobicContact CG1-CE 3.81Å; V559-M743 HydrophobicContact CG1-SD 4.32Å; L560-M743 HydrophobicContact CD2-CB 4.21Å; F618-M743 HydrophobicContact CE1-CE 4.4Å; F618-M743 HydrophobicContact CZ-CE 3.87Å; I720-M743 HydrophobicContact CG2-CE 3.53Å; I721-M743 PolarHBondContact O-N 3.17Å; E722-M743 WeakPolarHBondContact CA-O 3.32Å; G723-M743 PolarHBondContact N-O 2.87Å; L741-M743 HydrophobicContact CD1-CG 4.16Å; L741-M743 HydrophobicContact CD2-CE 4.2Å; L741-M743 HydrophobicContact CD2-CG 4.21Å; L741-M743 HydrophobicContact CD2-SD 3.81Å; L741-M743 HydrophobicContact CG-CG 3.89Å; L741-M743 HydrophobicContact CG-SD 4.17Å; M743-V763 WeakPolarHBondContact CA-O 3.29Å; M743-F764 HydrophobicContact CG-CD2 3.76Å; M743-F764 HydrophobicContact CG-CE2 3.83Å; M743-F764 HydrophobicContact SD-CD2 4.09Å; M743-F764 HydrophobicContact SD-CE2 3.65Å
744	A	96.4	Very high	93.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	155	177.8	0	0	0	0	0	112	A727 I728 V763	A727-A744 HydrophobicContact CB-CB 4.45Å; I728-A744 HydrophobicContact CD1-CB 3.53Å; I728-A744 HydrophobicContact CG1-CB 3.69Å; A744-V763 PolarHBondContact N-O 3.28Å; A744-V763 PolarHBondContact O-N 3.18Å
745	V	94.8	Very high	93.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.3	168.3	-178.5	0	0	0	0	108.8	L560 N563 V564 L591 K747 F760 V762	L560-V745 HydrophobicContact CB-CG2 4.1Å; L560-V745 HydrophobicContact CD2-CG2 4.21Å; L560-V745 WeakPolarHBondContact O-CG2 3.18Å; N563-V745 PolarHBondContact OD1-N 3.33Å; V564-V745 HydrophobicContact CG2-CB 4.48Å; V564-V745 HydrophobicContact CG2-CG1 4.26Å; V564-V745 HydrophobicContact CG2-CG2 4.22Å; L591-V745 HydrophobicContact CD2-CG1 4.37Å; L591-V745 HydrophobicContact CD2-CG2 3.57Å; V745-K747 WeakPolarHBondContact O-CE 2.81Å; V745-K747 PolarHBondContact O-N 3.14Å; V745-F760 HydrophobicContact CG1-CB 4.1Å; V745-F760 HydrophobicContact CG1-CD1 4.02Å; V745-V762 HydrophobicContact CG2-CG2 4.42Å
746	I	93.1	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.			trans	-80.1	110.3	178.8	-58.1	166.1	0	0	0	109.4	L597 I728 N748 L751 A752 L755 F760 S761 V763	L597-I746 HydrophobicContact CD2-CD1 3.49Å; L597-I746 VanDerWaalsContact CD2-CD1 3.49Å; I728-I746 HydrophobicContact CD1-CD1 4.39Å; I728-I746 HydrophobicContact CD1-CG1 3.52Å; I746-N748 WeakPolarHBondContact CG2-O 3.26Å; I746-L751 HydrophobicContact CG2-CB 4.32Å; I746-L751 HydrophobicContact CG2-CD2 4.33Å; I746-L751 HydrophobicContact CG2-CG 4.31Å; I746-A752 HydrophobicContact CB-CB 4.34Å; I746-A752 HydrophobicContact CG2-CB 3.68Å; I746-L755 HydrophobicContact CD1-CD1 3.76Å; I746-F760 VanDerWaalsContact O-CA 3.31Å; I746-F760 WeakPolarHBondContact O-CA 3.12Å; I746-F760 PolarHBondContact O-N 3.03Å; I746-S761 PolarHBondContact N-O 2.92Å; I746-V763 HydrophobicContact CD1-CG2 4.05Å; I746-V763 HydrophobicContact CG1-CG2 4.31Å
747	K	90.1	Very high	93.1	Very high	2 Å²	2	28 Å²	28	1%	0.009	17%	0.167	C	C	.	.			trans	-100.8	14.2	-174.8	-55.2	156.6	-155.6	172.3	0	112.9	N563 D566 A569 V572 M724 V745 L759	N563-K747 PolarHBondContact ND2-NZ 3.38Å; N563-K747 WeakPolarHBondContact O-CE 3.37Å; N563-K747 PolarHBondContact O-NZ 3.39Å; N563-K747 WeakPolarHBondContact OD1-CE 3.45Å; N563-K747 PolarHBondContact OD1-NZ 3.01Å; D566-K747 HydrophobicContact CB-CD 3.7Å; D566-K747 VanDerWaalsContact OD2-CD 3.24Å; D566-K747 WeakPolarHBondContact OD2-CD 3.43Å; D566-K747 IonicContact OD2-NZ 3.99Å; D566-K747 PolarHBondContact OD2-NZ 3.19Å; A569-K747 HydrophobicContact CB-CB 3.48Å; A569-K747 VanDerWaalsContact CB-CB 3.48Å; A569-K747 HydrophobicContact CB-CD 4.05Å; A569-K747 HydrophobicContact CB-CG 4.36Å; V572-K747 HydrophobicContact CG2-CB 4.05Å; V572-K747 HydrophobicContact CG2-CD 4.25Å; V572-K747 HydrophobicContact CG2-CG 4.02Å; M724-K747 HydrophobicContact CE-CB 4.09Å; M724-K747 HydrophobicContact CE-CD 4.46Å; M724-K747 HydrophobicContact SD-CB 4.13Å; M724-K747 PolarHBondContact SD-N 2.99Å; V745-K747 WeakPolarHBondContact O-CE 2.81Å; V745-K747 PolarHBondContact O-N 3.14Å; K747-L759 VanDerWaalsContact C-CD1 3.44Å
748	N	89.9	Confident	92.9	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	17%	0.172	C	C	.	.			trans	-130.1	119	-180	-176.8	-78.7	0	0	0	109.5	Y445 W446 I746 W750 L751 A752	Y445-N748 WeakPolarHBondContact CE1-ND2 3.26Å; Y445-N748 WeakPolarHBondContact CE1-OD1 3.43Å; Y445-N748 PolarHBondContact OH-ND2 2.9Å; Y445-N748 PolarHBondContact OH-OD1 3.24Å; W446-N748 HydrophobicContact CH2-CB 4.14Å; I746-N748 WeakPolarHBondContact CG2-O 3.26Å; N748-W750 PolarHBondContact O-N 3.22Å; N748-W750 WeakPolarHBondContact OD1-CB 3.28Å; N748-W750 PolarHBondContact OD1-N 2.93Å; N748-L751 HydrophobicContact CB-CB 4.04Å; N748-L751 PolarHBondContact O-N 3.26Å; N748-L751 PolarHBondContact OD1-N 3.32Å; N748-A752 WeakPolarHBondContact O-CB 3.19Å; N748-A752 PolarHBondContact O-N 3.43Å
749	S	87.1	Confident	92.5	Very high	60 Å²	60	33.3 Å²	33.3	42%	0.42	18%	0.184	S	C	.	.	H	α-helix	trans	-63.9	-42.4	-174.6	53.4	0	0	0	0	112.4	L751 A752 D753	S749-L751 PolarHBondContact O-N 3.36Å; S749-A752 WeakPolarHBondContact O-CB 3.39Å; S749-A752 PolarHBondContact O-N 2.94Å; S749-D753 VanDerWaalsContact O-CG 3.22Å; S749-D753 PolarHBondContact O-N 3.28Å
750	W	89.4	Confident	92.1	Very high	40 Å²	40	33.5 Å²	33.5	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-41.9	-179.8	-178.3	95.7	0	0	0	111.8	A442 Y445 W446 N748 R754	A442-W750 HydrophobicContact CB-CH2 3.29Å; A442-W750 HydrophobicContact CB-CZ2 3.81Å; A442-W750 HydrophobicContact CB-CZ3 4.13Å; Y445-W750 HydrophobicContact CD1-CB 3.96Å; Y445-W750 AromaticContact CD1-CD2 3.72Å; Y445-W750 HydrophobicContact CD1-CD2 3.72Å; Y445-W750 AromaticContact CD1-CE3 3.91Å; Y445-W750 HydrophobicContact CD1-CE3 3.91Å; Y445-W750 AromaticContact CD1-CG 3.73Å; Y445-W750 HydrophobicContact CD1-CG 3.73Å; Y445-W750 HydrophobicContact CD2-CB 4Å; Y445-W750 AromaticContact CD2-CD1 3.78Å; Y445-W750 AromaticContact CD2-CG 3.83Å; Y445-W750 HydrophobicContact CD2-CG 3.83Å; Y445-W750 HydrophobicContact CE1-CB 3.49Å; Y445-W750 VanDerWaalsContact CE1-CB 3.49Å; Y445-W750 HydrophobicContact CE1-CD2 4.1Å; Y445-W750 HydrophobicContact CE1-CE3 4.19Å; Y445-W750 AromaticContact CE1-CG 3.81Å; Y445-W750 HydrophobicContact CE1-CG 3.81Å; Y445-W750 HydrophobicContact CE2-CB 3.54Å; Y445-W750 AromaticContact CE2-CG 3.91Å; Y445-W750 HydrophobicContact CE2-CG 3.91Å; Y445-W750 HydrophobicContact CG-CB 4.19Å; Y445-W750 AromaticContact CG-CD1 3.88Å; Y445-W750 AromaticContact CG-CD2 3.96Å; Y445-W750 HydrophobicContact CG-CD2 3.96Å; Y445-W750 AromaticContact CG-CG 3.74Å; Y445-W750 HydrophobicContact CG-CG 3.74Å; Y445-W750 AromaticContact CZ-CG 3.9Å; W446-W750 AromaticContact NE1-CZ3 3.83Å; N748-W750 PolarHBondContact O-N 3.22Å; N748-W750 WeakPolarHBondContact OD1-CB 3.28Å; N748-W750 PolarHBondContact OD1-N 2.93Å; W750-R754 WeakPolarHBondContact O-CB 3.5Å; W750-R754 PolarHBondContact O-N 2.81Å; W750-R754 VanDerWaalsContact O-N 3.13Å
751	L	89.3	Confident	91.9	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-41.2	174.9	-179.2	62	0	0	0	111.3	W446 M724 I728 I746 N748 S749 R754 L755	W446-L751 HydrophobicContact CZ2-CB 4.45Å; M724-L751 HydrophobicContact SD-CD2 4.45Å; I728-L751 HydrophobicContact CG2-CD2 3.95Å; I746-L751 HydrophobicContact CG2-CB 4.32Å; I746-L751 HydrophobicContact CG2-CD2 4.33Å; I746-L751 HydrophobicContact CG2-CG 4.31Å; N748-L751 HydrophobicContact CB-CB 4.04Å; N748-L751 PolarHBondContact O-N 3.26Å; N748-L751 PolarHBondContact OD1-N 3.32Å; S749-L751 PolarHBondContact O-N 3.36Å; L751-R754 PolarHBondContact O-N 2.91Å; L751-L755 HydrophobicContact CD1-CD1 4.13Å; L751-L755 HydrophobicContact CD1-CG 4.29Å; L751-L755 HydrophobicContact CG-CD1 4.05Å; L751-L755 WeakPolarHBondContact O-CG 3.21Å; L751-L755 PolarHBondContact O-N 3.01Å
752	A	89.6	Confident	91.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-49.9	177.8	0	0	0	0	0	111.4	I746 N748 S749 R754 L755 G756 G757 K758	I746-A752 HydrophobicContact CB-CB 4.34Å; I746-A752 HydrophobicContact CG2-CB 3.68Å; N748-A752 WeakPolarHBondContact O-CB 3.19Å; N748-A752 PolarHBondContact O-N 3.43Å; S749-A752 WeakPolarHBondContact O-CB 3.39Å; S749-A752 PolarHBondContact O-N 2.94Å; A752-R754 PolarHBondContact O-N 3.46Å; A752-L755 CarbonylContact O-C 3.53Å; A752-L755 PolarHBondContact O-N 3.36Å; A752-G756 PolarHBondContact O-N 3.19Å; A752-G756 VanDerWaalsContact O-N 3.09Å; A752-G757 CarbonylContact C-O 3.54Å; A752-G757 CarbonylContact O-C 3.48Å; A752-G757 WeakPolarHBondContact O-CA 3.46Å; A752-G757 PolarHBondContact O-N 3.27Å; A752-K758 WeakPolarHBondContact CB-O 3.23Å
753	D	90.4	Very high	91.7	Very high	111 Å²	111	33.5 Å²	33.5	59%	0.594	18%	0.184	S	C	*	.	H	α-helix	trans	-57	-40.7	178.2	-66.6	-20.6	0	0	0	110.8	S749 L755 G756	S749-D753 VanDerWaalsContact O-CG 3.22Å; S749-D753 PolarHBondContact O-N 3.28Å; D753-L755 VanDerWaalsContact C-N 3.34Å; D753-L755 PolarHBondContact O-N 3.43Å; D753-G756 PolarHBondContact O-N 2.88Å
754	R	89.3	Confident	91.7	Very high	118 Å²	118	33.4 Å²	33.4	45%	0.445	18%	0.184	S	C	.	.	H	α-helix	trans	-69	-30.2	179.2	-171.4	168.5	178.1	135.4	0.6	113.9	D439 W750 L751 A752 G756	D439-R754 IonicContact OD1-NH1 3.73Å; D439-R754 IonicContact OD2-CZ 3.59Å; D439-R754 IonicContact OD2-NH1 2.8Å; D439-R754 PolarHBondContact OD2-NH1 3.49Å; D439-R754 IonicContact OD2-NH2 3.46Å; D439-R754 PolarHBondContact OD2-NH2 3.31Å; W750-R754 WeakPolarHBondContact O-CB 3.5Å; W750-R754 PolarHBondContact O-N 2.81Å; W750-R754 VanDerWaalsContact O-N 3.13Å; L751-R754 PolarHBondContact O-N 2.91Å; A752-R754 PolarHBondContact O-N 3.46Å; R754-G756 VanDerWaalsContact C-N 3.26Å
755	L	89.8	Confident	91.8	Very high	46 Å²	46	34.9 Å²	34.9	24%	0.241	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.1	172.3	-65.9	174.1	0	0	0	112.4	L597 I728 I746 L751 A752 D753	L597-L755 HydrophobicContact CD2-CB 3.96Å; I728-L755 HydrophobicContact CG2-CD1 3.94Å; I746-L755 HydrophobicContact CD1-CD1 3.76Å; L751-L755 HydrophobicContact CD1-CD1 4.13Å; L751-L755 HydrophobicContact CD1-CG 4.29Å; L751-L755 HydrophobicContact CG-CD1 4.05Å; L751-L755 WeakPolarHBondContact O-CG 3.21Å; L751-L755 PolarHBondContact O-N 3.01Å; A752-L755 CarbonylContact O-C 3.53Å; A752-L755 PolarHBondContact O-N 3.36Å; D753-L755 VanDerWaalsContact C-N 3.34Å; D753-L755 PolarHBondContact O-N 3.43Å
756	G	91.8	Very high	92	Very high	65 Å²	65	35.7 Å²	35.7	67%	0.67	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	17	-179	0	0	0	0	0	114.6	A752 D753 R754	A752-G756 PolarHBondContact O-N 3.19Å; A752-G756 VanDerWaalsContact O-N 3.09Å; D753-G756 PolarHBondContact O-N 2.88Å; R754-G756 VanDerWaalsContact C-N 3.26Å
757	G	90.3	Very high	92.1	Very high	19 Å²	19	38.3 Å²	38.3	20%	0.196	21%	0.206	C	C	.	.			trans	-112.7	-159.4	177.3	0	0	0	0	0	113.2	A752	A752-G757 CarbonylContact C-O 3.54Å; A752-G757 CarbonylContact O-C 3.48Å; A752-G757 WeakPolarHBondContact O-CA 3.46Å; A752-G757 PolarHBondContact O-N 3.27Å
758	K	91.2	Very high	92.3	Very high	125 Å²	125	41.4 Å²	41.4	54%	0.543	22%	0.224	S	C	.	.			trans	-132.1	169	176.9	59.6	-175.7	176.2	-171.2	0	110.1	E592 A752 F760 S761	E592-K758 WeakPolarHBondContact OE2-CE 3.31Å; A752-K758 WeakPolarHBondContact CB-O 3.23Å; K758-F760 PolarHBondContact O-N 3.49Å; K758-S761 WeakPolarHBondContact CG-OG 3.37Å; K758-S761 PolarHBondContact N-OG 2.95Å; K758-S761 WeakPolarHBondContact O-CB 3.23Å; K758-S761 PolarHBondContact O-N 2.79Å; K758-S761 PolarHBondContact O-OG 3.16Å; K758-S761 VanDerWaalsContact O-OG 3.09Å
759	L	89.3	Confident	92.2	Very high	60 Å²	60	41.4 Å²	41.4	31%	0.314	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	134.8	173.7	-173.8	69.8	0	0	0	110.4	A571 K747 S761	A571-L759 HydrophobicContact CB-CD1 4.27Å; A571-L759 HydrophobicContact CB-CD2 4.14Å; K747-L759 VanDerWaalsContact C-CD1 3.44Å; L759-S761 VanDerWaalsContact C-N 3.27Å; L759-S761 PolarHBondContact O-N 3.24Å
760	F	90.1	Very high	91.4	Very high	28 Å²	28	42.6 Å²	42.6	12%	0.123	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	14.7	-171.8	-51	-66.3	0	0	0	115.8	V564 V572 V745 I746 K758	V564-F760 HydrophobicContact CG1-CE1 4.19Å; V572-F760 HydrophobicContact CG2-CE1 3.96Å; V572-F760 HydrophobicContact CG2-CZ 4.46Å; V745-F760 HydrophobicContact CG1-CB 4.1Å; V745-F760 HydrophobicContact CG1-CD1 4.02Å; I746-F760 VanDerWaalsContact O-CA 3.31Å; I746-F760 WeakPolarHBondContact O-CA 3.12Å; I746-F760 PolarHBondContact O-N 3.03Å; K758-F760 PolarHBondContact O-N 3.49Å
761	S	93.6	Very high	90.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	27%	0.269	C	S	.	.			trans	-60.6	144.7	167.8	-80.7	0	0	0	0	111.8	E592 I746 K758 L759	E592-S761 VanDerWaalsContact CD-CA 3.47Å; E592-S761 WeakPolarHBondContact OE1-CA 3.17Å; E592-S761 PolarHBondContact OE2-OG 3.27Å; I746-S761 PolarHBondContact N-O 2.92Å; K758-S761 WeakPolarHBondContact CG-OG 3.37Å; K758-S761 PolarHBondContact N-OG 2.95Å; K758-S761 WeakPolarHBondContact O-CB 3.23Å; K758-S761 PolarHBondContact O-N 2.79Å; K758-S761 PolarHBondContact O-OG 3.16Å; K758-S761 VanDerWaalsContact O-OG 3.09Å; L759-S761 VanDerWaalsContact C-N 3.27Å; L759-S761 PolarHBondContact O-N 3.24Å
762	V	95.8	Very high	87.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.8	-172.8	169.6	0	0	0	0	109.9	L560 L591 E592 W596 L597 V598 V745 F764	L560-V762 HydrophobicContact CD1-CG1 3.47Å; L560-V762 VanDerWaalsContact CD1-CG1 3.47Å; L560-V762 HydrophobicContact CD1-CG2 4.35Å; L560-V762 HydrophobicContact CD2-CG1 3.89Å; L560-V762 HydrophobicContact CG-CG1 4.3Å; L591-V762 HydrophobicContact CD2-CG2 4.12Å; E592-V762 HydrophobicContact CG-CB 4.31Å; E592-V762 HydrophobicContact CG-CG2 4Å; E592-V762 PolarHBondContact OE1-N 3.37Å; W596-V762 HydrophobicContact CB-CB 3.88Å; W596-V762 HydrophobicContact CB-CG1 4Å; W596-V762 HydrophobicContact CD2-CB 3.98Å; W596-V762 HydrophobicContact CD2-CG1 3.45Å; W596-V762 VanDerWaalsContact CD2-CG1 3.45Å; W596-V762 HydrophobicContact CE3-CG1 3.75Å; W596-V762 HydrophobicContact CG-CB 3.6Å; W596-V762 HydrophobicContact CG-CG1 3.6Å; W596-V762 HydrophobicContact CG-CG2 4.41Å; W596-V762 HydrophobicContact CZ3-CG1 4.38Å; L597-V762 WeakPolarHBondContact CB-O 3.35Å; L597-V762 PolarHBondContact N-O 2.95Å; V598-V762 PolarHBondContact N-O 3.49Å; V745-V762 HydrophobicContact CG2-CG2 4.42Å; V762-F764 HydrophobicContact CG1-CB 4.39Å
763	V	97.1	Very high	85.1	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.6	166.3	175.9	0	0	0	0	107.5	V598 I728 Y732 M743 A744 I746 K765	V598-V763 HydrophobicContact CB-CG1 4.13Å; V598-V763 HydrophobicContact CG2-CG1 4.28Å; V598-V763 HydrophobicContact CG2-CG2 4.39Å; I728-V763 HydrophobicContact CD1-CB 4.16Å; I728-V763 HydrophobicContact CD1-CG2 3.78Å; I728-V763 HydrophobicContact CG1-CG2 4.47Å; Y732-V763 HydrophobicContact CE2-CG1 4.01Å; M743-V763 WeakPolarHBondContact CA-O 3.29Å; A744-V763 PolarHBondContact N-O 3.28Å; A744-V763 PolarHBondContact O-N 3.18Å; I746-V763 HydrophobicContact CD1-CG2 4.05Å; I746-V763 HydrophobicContact CG1-CG2 4.31Å; V763-K765 HydrophobicContact CG1-CB 4.21Å
764	F	97.9	Very high	82.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	90.9	168.8	-170.7	-84.5	0	0	0	108.2	V556 W596 V598 S600 F601 W604 L741 M743 V762	V556-F764 HydrophobicContact CB-CE2 4.08Å; V556-F764 HydrophobicContact CG1-CD2 3.4Å; V556-F764 VanDerWaalsContact CG1-CD2 3.4Å; V556-F764 HydrophobicContact CG1-CE2 3.26Å; V556-F764 HydrophobicContact CG1-CG 4.45Å; V556-F764 HydrophobicContact CG1-CZ 4.21Å; V556-F764 HydrophobicContact CG2-CE2 3.59Å; V556-F764 HydrophobicContact CG2-CZ 3.97Å; W596-F764 HydrophobicContact CE3-CB 3.47Å; W596-F764 VanDerWaalsContact CE3-CB 3.47Å; W596-F764 HydrophobicContact CE3-CG 4.12Å; W596-F764 HydrophobicContact CZ3-CB 3.56Å; W596-F764 HydrophobicContact CZ3-CD1 4.36Å; W596-F764 AromaticContact CZ3-CD2 3.98Å; W596-F764 HydrophobicContact CZ3-CD2 3.98Å; W596-F764 AromaticContact CZ3-CG 3.7Å; W596-F764 HydrophobicContact CZ3-CG 3.7Å; V598-F764 CarbonylContact O-C 3.52Å; V598-F764 WeakPolarHBondContact O-CA 3.37Å; V598-F764 PolarHBondContact O-N 3.31Å; V598-F764 VanDerWaalsContact O-O 3.07Å; S600-F764 WeakPolarHBondContact CB-O 3.04Å; S600-F764 PolarHBondContact N-O 2.97Å; S600-F764 PolarHBondContact OG-O 2.93Å; F601-F764 HydrophobicContact CB-CD1 4.1Å; F601-F764 HydrophobicContact CB-CE1 4.17Å; F601-F764 HydrophobicContact CD2-CE1 4.32Å; F601-F764 HydrophobicContact CD2-CZ 4.22Å; W604-F764 HydrophobicContact CB-CE1 3.7Å; W604-F764 HydrophobicContact CB-CZ 4.04Å; W604-F764 AromaticContact CD1-CZ 3.58Å; W604-F764 AromaticContact CG-CE1 3.98Å; W604-F764 HydrophobicContact CG-CE1 3.98Å; W604-F764 AromaticContact CG-CZ 3.79Å; W604-F764 HydrophobicContact CG-CZ 3.79Å; L741-F764 HydrophobicContact CD1-CD1 4.19Å; L741-F764 HydrophobicContact CD1-CD2 4.35Å; L741-F764 HydrophobicContact CD1-CE1 3.65Å; L741-F764 HydrophobicContact CD1-CE2 3.83Å; L741-F764 HydrophobicContact CD1-CZ 3.46Å; L741-F764 VanDerWaalsContact CD1-CZ 3.46Å; L741-F764 HydrophobicContact CD2-CE2 4.28Å; L741-F764 HydrophobicContact CD2-CZ 4.1Å; L741-F764 HydrophobicContact CG-CZ 4.39Å; M743-F764 HydrophobicContact CG-CD2 3.76Å; M743-F764 HydrophobicContact CG-CE2 3.83Å; M743-F764 HydrophobicContact SD-CD2 4.09Å; M743-F764 HydrophobicContact SD-CE2 3.65Å; V762-F764 HydrophobicContact CG1-CB 4.39Å
765	K	97.9	Very high	82.3	Confident	32 Å²	32	60.7 Å²	60.7	14%	0.139	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.9	-172.1	-168.2	-172.9	-170.2	-152.4	0	109.8	V598 Y732 L741 K742 V763 E767	V598-K765 HydrophobicContact CG1-CB 3.8Å; V598-K765 HydrophobicContact CG1-CG 3.95Å; Y732-K765 PolarHBondContact O-NZ 2.92Å; L741-K765 WeakPolarHBondContact CA-O 3.36Å; K742-K765 HydrophobicContact CB-CB 4.25Å; K742-K765 HydrophobicContact CD-CD 4.43Å; K742-K765 PolarHBondContact N-O 2.95Å; K742-K765 PolarHBondContact O-N 3.48Å; V763-K765 HydrophobicContact CG1-CB 4.21Å; K765-E767 HydrophobicContact CD-CG 4.35Å; K765-E767 WeakPolarHBondContact CE-OE1 3.11Å; K765-E767 HydrophobicContact CG-CG 4.05Å; K765-E767 VanDerWaalsContact NZ-CD 3.32Å; K765-E767 IonicContact NZ-OE1 2.63Å; K765-E767 PolarHBondContact NZ-OE1 2.66Å; K765-E767 IonicContact NZ-OE2 3.09Å; K765-E767 PolarHBondContact NZ-OE2 3.14Å
766	Y	98.2	Very high	81.9	Confident	17 Å²	17	61.5 Å²	61.5	7%	0.067	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.1	173.8	172.6	-114.5	0	0	0	109	S600 Q603 W604 R607 E739 S740 V768	S600-Y766 VanDerWaalsContact CB-N 3.3Å; S600-Y766 PolarHBondContact OG-N 3.38Å; Q603-Y766 HydrophobicContact CB-CD1 4.05Å; W604-Y766 HydrophobicContact CB-CG 4.36Å; W604-Y766 AromaticContact CE3-CD2 3.57Å; W604-Y766 HydrophobicContact CE3-CD2 3.57Å; W604-Y766 AromaticContact CE3-CE2 3.66Å; W604-Y766 HydrophobicContact CE3-CE2 3.66Å; W604-Y766 HydrophobicContact CE3-CG 4.15Å; W604-Y766 HydrophobicContact CZ3-CD2 4.07Å; W604-Y766 AromaticContact CZ3-CE2 3.87Å; W604-Y766 HydrophobicContact CZ3-CE2 3.87Å; R607-Y766 HydrophobicContact CB-CE1 4.21Å; R607-Y766 WeakPolarHBondContact CD-OH 3.39Å; R607-Y766 VanDerWaalsContact CG-OH 3.25Å; R607-Y766 WeakPolarHBondContact CG-OH 3.24Å; E739-Y766 HydrophobicContact CB-CE2 4.17Å; E739-Y766 PolarHBondContact OE2-OH 2.85Å; S740-Y766 WeakPolarHBondContact O-CA 3.37Å; S740-Y766 WeakPolarHBondContact O-CD2 3.3Å; Y766-V768 HydrophobicContact CE1-CG2 3.83Å
767	E	96.7	Very high	81.3	Confident	55 Å²	55	61.3 Å²	61.3	26%	0.257	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.2	-174.8	-63.6	175.7	112.1	0	0	110.4	E739 S740 K742 K765	E739-E767 WeakPolarHBondContact CA-O 3.43Å; S740-E767 PolarHBondContact N-O 2.68Å; S740-E767 PolarHBondContact O-N 3.38Å; K742-E767 IonicContact NZ-OE2 2.89Å; K742-E767 PolarHBondContact NZ-OE2 3.23Å; K765-E767 HydrophobicContact CD-CG 4.35Å; K765-E767 WeakPolarHBondContact CE-OE1 3.11Å; K765-E767 HydrophobicContact CG-CG 4.05Å; K765-E767 VanDerWaalsContact NZ-CD 3.32Å; K765-E767 IonicContact NZ-OE1 2.63Å; K765-E767 PolarHBondContact NZ-OE1 2.66Å; K765-E767 IonicContact NZ-OE2 3.09Å; K765-E767 PolarHBondContact NZ-OE2 3.14Å
768	V	94.2	Very high	80.8	Confident	67 Å²	67	63.8 Å²	63.8	41%	0.406	36%	0.356	S	S	.	.			trans	-110.3	142.6	176.1	-176.9	0	0	0	0	108.5	Y766 A770	Y766-V768 HydrophobicContact CE1-CG2 3.83Å; V768-A770 PolarHBondContact O-N 3.26Å
769	P	87.2	Confident	80.1	Confident	18 Å²	18	59.9 Å²	59.9	12%	0.117	34%	0.344	C	S	.	.			trans	-56.5	137.6	179.3	-26.5	34.8	0	0	0	113	S737 C738 G771	S737-P769 VanDerWaalsContact C-CG 3.45Å; S737-P769 VanDerWaalsContact O-CG 3.27Å; S737-P769 WeakPolarHBondContact O-CG 3.48Å; C738-P769 VanDerWaalsContact CA-CG 3.45Å; C738-P769 VanDerWaalsContact O-CG 3.29Å; C738-P769 WeakPolarHBondContact O-CG 3.24Å; P769-G771 PolarHBondContact O-N 3.14Å
770	A	70.8	Confident	79.5	Confident	86 Å²	86	59.9 Å²	59.9	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	110.7	170.7	0	0	0	0	0	109.9	V768	V768-A770 PolarHBondContact O-N 3.26Å
771	G	61.1	Low	78.8	Confident	75 Å²	75	62.2 Å²	62.2	77%	0.773	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.1	-3.3	173.6	0	0	0	0	0	117	P769 P773	P769-G771 PolarHBondContact O-N 3.14Å; G771-P773 WeakPolarHBondContact O-CD 3.49Å
772	K	40	Very low	77.6	Confident	144 Å²	144	66.8 Å²	66.8	63%	0.626	39%	0.389	S	S	*	.			trans	-92.3	111.9	163.4	-78.8	-175.7	179.1	176.5	0	109.1
773	P	34.4	Very low	76.1	Confident	122 Å²	122	72.4 Å²	72.4	79%	0.792	42%	0.422	S	S	*	.			trans	-64	143.4	167.1	27.1	-29.9	0	0	0	109.1	G771	G771-P773 WeakPolarHBondContact O-CD 3.49Å
774	H	37.7	Very low	74.2	Confident	252 Å²	252	78.9 Å²	78.9	100%	1.167	46%	0.46	S	S	*	.			trans	-55.7	0	172.6	-73.7	-64.5	0	0	0	112.8

Retrieved 774 of 774 residues in 193 ms (Link to these results)

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