A0A087XSF6_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087XSF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.8	Very low	27.8	Very low	241 Å²	241	139.8 Å²	139.8	100%	1.187	85%	0.851	S	S	*	*				0	129	0	-88.5	177.1	164.2	0	0	108.3
2	S	30.3	Very low	27.7	Very low	122 Å²	122	137.5 Å²	137.5	85%	0.853	85%	0.845	S	S	*	*			trans	79	102.2	159.1	-49	0	0	0	0	119.9
3	E	28.7	Very low	28.3	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	85%	0.845	S	S	*	*			trans	-36.8	148.8	146.9	-66.2	177.7	130.9	0	0	115.2
4	Q	28.2	Very low	28.4	Very low	180 Å²	180	134.4 Å²	134.4	84%	0.841	84%	0.84	S	S	*	*				166.4	125.4	100.4	-113.2	168.7	31.9	0	0	112.3
5	G	27.8	Very low	28.5	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	83%	0.833	S	S	*	*				54.6	126.9	125.8	0	0	0	0	0	123.7
6	K	28.2	Very low	28.7	Very low	222 Å²	222	130.9 Å²	130.9	97%	0.965	83%	0.831	S	S	*	*			trans	82.8	114.5	150.7	-69.6	-178.1	175.4	177.5	0	118.8
7	G	25.6	Very low	28.6	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	82%	0.821	S	S	*	*			trans	-164	115.6	160	0	0	0	0	0	110.8
8	S	25.8	Very low	28.9	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	83%	0.826	S	S	*	*			trans	-47.6	133.1	-178.3	52.3	0	0	0	0	115.5	S10	S8-S10 PolarHBondContact O-N 3.26Å; S8-S10 VanDerWaalsContact O-N 3.08Å
9	A	26.5	Very low	29.3	Very low	104 Å²	104	125.8 Å²	125.8	86%	0.86	82%	0.824	S	S	*	*			trans	-68.7	99.6	156.6	0	0	0	0	0	108.4	T11	A9-T11 PolarHBondContact O-N 3.24Å
10	S	25.6	Very low	29.8	Very low	102 Å²	102	123.9 Å²	123.9	71%	0.713	81%	0.814	S	S	*	*			trans	-76.1	103.9	160.7	45.6	0	0	0	0	107.4	S8 S12	S8-S10 PolarHBondContact O-N 3.26Å; S8-S10 VanDerWaalsContact O-N 3.08Å; S10-S12 PolarHBondContact O-N 3.33Å
11	T	27.5	Very low	30.8	Very low	130 Å²	130	122.8 Å²	122.8	80%	0.798	80%	0.801	S	S	*	*			trans	-56.1	105.1	157.4	11.5	0	0	0	0	107.3	A9 T13	A9-T11 PolarHBondContact O-N 3.24Å; T11-T13 VanDerWaalsContact C-N 3.26Å; T11-T13 PolarHBondContact O-N 3.3Å
12	S	26.2	Very low	32.6	Very low	112 Å²	112	114.8 Å²	114.8	78%	0.783	77%	0.766	S	S	*	*			trans	-68.6	91.4	166.7	47.1	0	0	0	0	108.1	S10 A14	S10-S12 PolarHBondContact O-N 3.33Å; S12-A14 PolarHBondContact O-N 2.88Å
13	T	35.8	Very low	35.4	Very low	137 Å²	137	113 Å²	113	84%	0.84	74%	0.741	S	S	*	*			trans	-60.6	90.6	155.3	32.6	0	0	0	0	107.9	T11 A15	T11-T13 VanDerWaalsContact C-N 3.26Å; T11-T13 PolarHBondContact O-N 3.3Å; T13-A15 PolarHBondContact O-N 3.07Å
14	A	29.6	Very low	38.4	Very low	94 Å²	94	110.3 Å²	110.3	78%	0.777	73%	0.726	S	S	*	*			trans	-69.5	114.5	165.2	0	0	0	0	0	108	S12	S12-A14 PolarHBondContact O-N 2.88Å
15	A	30.8	Very low	41.4	Very low	89 Å²	89	102.2 Å²	102.2	74%	0.736	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-59.8	144.4	171.2	0	0	0	0	0	110.2	T13 A17	T13-A15 PolarHBondContact O-N 3.07Å; A15-A17 PolarHBondContact O-N 3.31Å
16	P	30.5	Very low	44.4	Very low	124 Å²	124	101.8 Å²	101.8	81%	0.805	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-70.1	134.2	-179.1	-3.1	17.8	0	0	0	110.5
17	A	28.1	Very low	47.5	Very low	80 Å²	80	91.3 Å²	91.3	66%	0.661	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.7	167.7	0	0	0	0	0	110.2	A15 G19	A15-A17 PolarHBondContact O-N 3.31Å; A17-G19 PolarHBondContact O-N 2.82Å
18	P	32.8	Very low	50.6	Low	138 Å²	138	91.1 Å²	91.1	90%	0.896	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	109.8	-177.2	30	-30.5	0	0	0	109.2
19	G	36.2	Very low	53.8	Low	78 Å²	78	87.2 Å²	87.2	80%	0.804	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.2	1	173.3	0	0	0	0	0	118.6	A17	A17-G19 PolarHBondContact O-N 2.82Å
20	S	40.2	Very low	56.6	Low	88 Å²	88	86.7 Å²	86.7	62%	0.615	54%	0.544	S	S	*	.			trans	-115.1	92.9	173.4	59.3	0	0	0	0	112	T22	S20-T22 PolarHBondContact O-N 3.3Å
21	D	51.4	Low	59.2	Low	101 Å²	101	84.2 Å²	84.2	54%	0.54	53%	0.525	S	S	.	.			trans	-72.8	56.3	171.5	-70.6	-53	0	0	0	111.5	K113	D21-K113 IonicContact OD1-NZ 3.39Å; D21-K113 PolarHBondContact OD1-NZ 3.2Å; D21-K113 IonicContact OD2-NZ 3.32Å; D21-K113 PolarHBondContact OD2-NZ 3.05Å
22	T	69.7	Low	61.3	Low	73 Å²	73	81.2 Å²	81.2	45%	0.448	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	113.2	-177.7	50	0	0	0	0	111.9	S20 L44 S45	S20-T22 PolarHBondContact O-N 3.3Å; T22-L44 VanDerWaalsContact CA-O 3.23Å; T22-L44 WeakPolarHBondContact CA-O 3.29Å; T22-S45 WeakPolarHBondContact CG2-OG 3.44Å
23	Y	87.6	Confident	62.5	Low	84 Å²	84	86.6 Å²	86.6	33%	0.329	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.8	171.1	-166.3	-105.6	0	0	0	109.3	L44 W103 A106	Y23-L44 PolarHBondContact N-O 2.9Å; Y23-L44 VanDerWaalsContact N-O 3.11Å; Y23-L44 WeakPolarHBondContact O-CB 3.28Å; Y23-L44 PolarHBondContact O-N 3.01Å; Y23-W103 HydrophobicContact CD1-CD2 4.03Å; Y23-W103 AromaticContact CD1-CE3 3.73Å; Y23-W103 HydrophobicContact CD1-CE3 3.73Å; Y23-W103 AromaticContact CD1-CH2 3.9Å; Y23-W103 HydrophobicContact CD1-CH2 3.9Å; Y23-W103 HydrophobicContact CD1-CZ2 4.19Å; Y23-W103 AromaticContact CD1-CZ3 3.66Å; Y23-W103 HydrophobicContact CD1-CZ3 3.66Å; Y23-W103 AromaticContact CE1-CD2 3.65Å; Y23-W103 HydrophobicContact CE1-CD2 3.65Å; Y23-W103 AromaticContact CE1-CE2 3.72Å; Y23-W103 AromaticContact CE1-CE3 3.86Å; Y23-W103 HydrophobicContact CE1-CE3 3.86Å; Y23-W103 HydrophobicContact CE1-CG 4.14Å; Y23-W103 HydrophobicContact CE1-CH2 4.21Å; Y23-W103 HydrophobicContact CE1-CZ2 4.03Å; Y23-W103 HydrophobicContact CE1-CZ3 4.13Å; Y23-A106 HydrophobicContact CD1-CB 3.81Å; Y23-A106 HydrophobicContact CD2-CB 4.47Å; Y23-A106 HydrophobicContact CE1-CB 4.3Å; Y23-A106 HydrophobicContact CG-CB 3.91Å
24	K	91.8	Very high	63.1	Low	119 Å²	119	88 Å²	88	52%	0.517	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148	-176.3	64.9	-170.9	-178	-173.5	0	111.9	W41 F42 V43	K24-W41 HydrophobicContact CB-CZ2 3.94Å; K24-W41 HydrophobicContact CD-CZ2 3.96Å; K24-W41 HydrophobicContact CG-CH2 4.45Å; K24-W41 HydrophobicContact CG-CZ2 3.78Å; K24-F42 CarbonylContact C-O 3.59Å; K24-F42 VanDerWaalsContact CA-O 3.23Å; K24-F42 WeakPolarHBondContact CA-O 3.41Å; K24-V43 HydrophobicContact CB-CG1 4.45Å; K24-V43 HydrophobicContact CB-CG2 4.15Å
25	G	91	Very high	64.9	Low	11 Å²	11	89.6 Å²	89.6	11%	0.113	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-176.6	-179.5	0	0	0	0	0	113.2	F42	G25-F42 PolarHBondContact N-O 3.41Å; G25-F42 PolarHBondContact O-N 2.81Å
26	W	91.4	Very high	67.3	Low	63 Å²	63	85.9 Å²	85.9	24%	0.239	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137.1	179.1	-69.6	99	0	0	0	111.5	R39 R40 W41 R53	W26-R39 HydrophobicContact CB-CG 4.46Å; W26-R39 HydrophobicContact CD2-CG 4.24Å; W26-R39 HydrophobicContact CE3-CB 4.47Å; W26-R39 HydrophobicContact CE3-CG 3.62Å; W26-R39 VanDerWaalsContact CG-NH2 3.25Å; W26-R39 HydrophobicContact CZ3-CG 4.18Å; W26-R40 WeakPolarHBondContact CA-O 3.37Å; W26-R40 VanDerWaalsContact CE3-O 3.27Å; W26-W41 AromaticContact CD1-CE3 3.46Å; W26-W41 VanDerWaalsContact CD1-CE3 3.46Å; W26-W41 AromaticContact CD1-CZ3 3.37Å; W26-W41 HydrophobicContact CD2-CB 4.47Å; W26-W41 AromaticContact CD2-CE3 3.65Å; W26-W41 HydrophobicContact CD2-CE3 3.65Å; W26-W41 HydrophobicContact CD2-CZ3 4.35Å; W26-W41 AromaticContact CE2-CE3 3.46Å; W26-W41 VanDerWaalsContact CE2-CE3 3.46Å; W26-W41 HydrophobicContact CE3-CB 4.12Å; W26-W41 HydrophobicContact CE3-CE3 4.41Å; W26-W41 AromaticContact CG-CE3 3.7Å; W26-W41 HydrophobicContact CG-CE3 3.7Å; W26-W41 HydrophobicContact CG-CZ3 4.02Å; W26-W41 HydrophobicContact CH2-CB 4.21Å; W26-W41 HydrophobicContact CZ2-CB 4.49Å; W26-W41 HydrophobicContact CZ2-CE3 4.13Å; W26-W41 HydrophobicContact CZ3-CB 4Å; W26-W41 AromaticContact NE1-CE3 3.3Å; W26-W41 VanDerWaalsContact NE1-CE3 3.3Å; W26-W41 AromaticContact NE1-CZ3 3.34Å; W26-W41 VanDerWaalsContact NE1-CZ3 3.34Å; W26-R53 WeakPolarHBondContact CZ3-O 3.28Å
27	L	92.9	Very high	70	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.005	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.9	164.3	-69.8	171	0	0	0	109.2	R40 F42 L92 A94 W103	L27-R40 PolarHBondContact N-O 3.41Å; L27-R40 PolarHBondContact O-N 3.3Å; L27-R40 VanDerWaalsContact O-O 3.06Å; L27-F42 HydrophobicContact CB-CD2 3.62Å; L27-F42 HydrophobicContact CB-CE2 3.66Å; L27-F42 HydrophobicContact CD1-CD2 4.17Å; L27-F42 HydrophobicContact CD1-CE2 4.49Å; L27-F42 HydrophobicContact CD1-CG 4.27Å; L27-F42 HydrophobicContact CG-CD2 4.23Å; L27-L92 HydrophobicContact CD1-CD1 4.04Å; L27-A94 HydrophobicContact CD2-CB 3.78Å; L27-W103 HydrophobicContact CD1-CD2 3.74Å; L27-W103 HydrophobicContact CD1-CE3 4.1Å; L27-W103 HydrophobicContact CD1-CG 4.01Å; L27-W103 HydrophobicContact CD1-CZ2 4.29Å; L27-W103 HydrophobicContact CD2-CD2 4.41Å; L27-W103 HydrophobicContact CD2-CG 4.02Å; L27-W103 HydrophobicContact CG-CD2 4.17Å; L27-W103 HydrophobicContact CG-CG 4.3Å; L27-W103 HydrophobicContact CG-CZ2 4.24Å
28	F	92.3	Very high	72.9	Confident	75 Å²	75	83.5 Å²	83.5	33%	0.329	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.2	169.2	-67.6	-90.2	0	0	0	109.2	Y37 Q38 R39 L92 K93	F28-Y37 HydrophobicContact CB-CD1 4.1Å; F28-Q38 CarbonylContact C-O 3.56Å; F28-Q38 WeakPolarHBondContact CA-O 3.42Å; F28-R39 HydrophobicContact CD1-CB 3.88Å; F28-R39 HydrophobicContact CD1-CG 4.22Å; F28-R39 HydrophobicContact CE1-CB 3.65Å; F28-R39 HydrophobicContact CE1-CG 3.84Å; F28-R39 HydrophobicContact CE2-CG 4.45Å; F28-R39 HydrophobicContact CZ-CB 4.29Å; F28-R39 HydrophobicContact CZ-CG 3.97Å; F28-L92 CarbonylContact O-C 3.51Å; F28-L92 VanDerWaalsContact O-CA 3.24Å; F28-L92 WeakPolarHBondContact O-CA 3.3Å; F28-K93 HydrophobicContact CB-CB 4.2Å; F28-K93 PolarHBondContact N-O 3.45Å; F28-K93 PolarHBondContact O-N 2.78Å
29	K	92.1	Very high	75.7	Confident	29 Å²	29	82.9 Å²	82.9	13%	0.126	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.1	178.1	177.6	-177.2	179.1	-67.4	0	109.8	Q38 R40 F42 Y51 L92	K29-Q38 PolarHBondContact N-O 2.8Å; K29-Q38 PolarHBondContact O-N 2.9Å; K29-R40 HydrophobicContact CB-CG 4.16Å; K29-F42 HydrophobicContact CB-CE2 4.45Å; K29-F42 HydrophobicContact CB-CZ 4.19Å; K29-F42 HydrophobicContact CD-CZ 4.42Å; K29-Y51 HydrophobicContact CD-CD2 4.21Å; K29-Y51 HydrophobicContact CD-CE1 4.3Å; K29-Y51 HydrophobicContact CD-CE2 3.77Å; K29-L92 HydrophobicContact CB-CD2 3.77Å; K29-L92 HydrophobicContact CG-CD2 3.82Å
30	W	86.3	Confident	78.4	Confident	92 Å²	92	81.3 Å²	81.3	35%	0.348	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134	170.2	-172	-103.1	0	0	0	111	G36 Y37 H91	W30-G36 VanDerWaalsContact CE3-C 3.48Å; W30-G36 VanDerWaalsContact CZ3-CA 3.42Å; W30-Y37 HydrophobicContact CB-CD1 4.19Å; W30-Y37 HydrophobicContact CB-CE1 3.9Å; W30-Y37 HydrophobicContact CD2-CE2 4.38Å; W30-Y37 HydrophobicContact CE3-CD1 4.39Å; W30-Y37 AromaticContact CE3-CD2 3.33Å; W30-Y37 HydrophobicContact CE3-CD2 3.33Å; W30-Y37 HydrophobicContact CE3-CE1 4.46Å; W30-Y37 AromaticContact CE3-CE2 3.4Å; W30-Y37 HydrophobicContact CE3-CE2 3.4Å; W30-Y37 AromaticContact CE3-CG 3.84Å; W30-Y37 HydrophobicContact CE3-CG 3.84Å; W30-Y37 AromaticContact CE3-CZ 3.99Å; W30-Y37 AromaticContact CZ3-CD2 3.69Å; W30-Y37 HydrophobicContact CZ3-CD2 3.69Å; W30-Y37 AromaticContact CZ3-CE2 3.86Å; W30-Y37 HydrophobicContact CZ3-CE2 3.86Å; W30-Y37 HydrophobicContact CZ3-CG 4.5Å; W30-H91 HydrophobicContact CB-CB 3.89Å; W30-H91 PolarHBondContact N-O 3.4Å
31	T	78.3	Confident	80.8	Confident	50 Å²	50	78 Å²	78	31%	0.307	36%	0.356	S	S	.	.			trans	-112.3	-62.8	-177.2	52.6	0	0	0	0	112.2	K35 G36 Q38	T31-K35 WeakPolarHBondContact OG1-CB 3.46Å; T31-G36 PolarHBondContact N-O 3.05Å; T31-G36 PolarHBondContact OG1-O 3.18Å; T31-Q38 HydrophobicContact CG2-CB 3.96Å; T31-Q38 HydrophobicContact CG2-CG 3.91Å
32	N	71.6	Confident	82.7	Confident	67 Å²	67	73.3 Å²	73.3	36%	0.358	33%	0.33	S	S	.	.			trans	-160.2	176.1	173.4	60.8	25.7	0	0	0	110.8	L34 K35 G36	N32-L34 PolarHBondContact O-N 3Å; N32-L34 PolarHBondContact OD1-N 2.86Å; N32-K35 PolarHBondContact O-N 3.36Å; N32-K35 WeakPolarHBondContact OD1-CB 3.49Å; N32-K35 PolarHBondContact OD1-N 2.94Å; N32-G36 WeakPolarHBondContact O-CA 3.05Å; N32-G36 PolarHBondContact O-N 2.84Å
33	Y	51.7	Low	83.7	Confident	225 Å²	225	70.6 Å²	70.6	88%	0.882	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27	179.4	-98.1	-87	0	0	0	114.1
34	L	49.8	Very low	83.7	Confident	168 Å²	168	67 Å²	67	88%	0.88	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-38.5	-179.5	-78.4	142.6	0	0	0	113.1	N32	N32-L34 PolarHBondContact O-N 3Å; N32-L34 PolarHBondContact OD1-N 2.86Å
35	K	65.8	Low	83.4	Confident	126 Å²	126	63 Å²	63	55%	0.548	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-17.4	-172.7	-65.5	-177.8	179	172.7	0	113.6	T31 N32 Q38	T31-K35 WeakPolarHBondContact OG1-CB 3.46Å; N32-K35 PolarHBondContact O-N 3.36Å; N32-K35 WeakPolarHBondContact OD1-CB 3.49Å; N32-K35 PolarHBondContact OD1-N 2.94Å; K35-Q38 PolarHBondContact O-NE2 3.07Å
36	G	82.9	Confident	82.7	Confident	12 Å²	12	68.9 Å²	68.9	12%	0.124	32%	0.316	C	S	.	.			trans	59.7	-144.2	177	0	0	0	0	0	114.9	W30 T31 N32	W30-G36 VanDerWaalsContact CE3-C 3.48Å; W30-G36 VanDerWaalsContact CZ3-CA 3.42Å; T31-G36 PolarHBondContact N-O 3.05Å; T31-G36 PolarHBondContact OG1-O 3.18Å; N32-G36 WeakPolarHBondContact O-CA 3.05Å; N32-G36 PolarHBondContact O-N 2.84Å
37	Y	86.8	Confident	82.1	Confident	82 Å²	82	66.4 Å²	66.4	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124.7	177.5	-82.2	-77.3	0	0	0	111.7	F28 W30 H91 K93	F28-Y37 HydrophobicContact CB-CD1 4.1Å; W30-Y37 HydrophobicContact CB-CD1 4.19Å; W30-Y37 HydrophobicContact CB-CE1 3.9Å; W30-Y37 HydrophobicContact CD2-CE2 4.38Å; W30-Y37 HydrophobicContact CE3-CD1 4.39Å; W30-Y37 AromaticContact CE3-CD2 3.33Å; W30-Y37 HydrophobicContact CE3-CD2 3.33Å; W30-Y37 HydrophobicContact CE3-CE1 4.46Å; W30-Y37 AromaticContact CE3-CE2 3.4Å; W30-Y37 HydrophobicContact CE3-CE2 3.4Å; W30-Y37 AromaticContact CE3-CG 3.84Å; W30-Y37 HydrophobicContact CE3-CG 3.84Å; W30-Y37 AromaticContact CE3-CZ 3.99Å; W30-Y37 AromaticContact CZ3-CD2 3.69Å; W30-Y37 HydrophobicContact CZ3-CD2 3.69Å; W30-Y37 AromaticContact CZ3-CE2 3.86Å; W30-Y37 HydrophobicContact CZ3-CE2 3.86Å; W30-Y37 HydrophobicContact CZ3-CG 4.5Å; Y37-H91 HydrophobicContact CE1-CB 4.46Å; Y37-K93 HydrophobicContact CD1-CB 4.13Å; Y37-K93 HydrophobicContact CE1-CB 3.92Å
38	Q	88.4	Confident	81.8	Confident	72 Å²	72	69.6 Å²	69.6	34%	0.336	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.1	-177.7	-67.5	-65.3	-39.7	0	0	110.9	F28 K29 T31 K35 R40	F28-Q38 CarbonylContact C-O 3.56Å; F28-Q38 WeakPolarHBondContact CA-O 3.42Å; K29-Q38 PolarHBondContact N-O 2.8Å; K29-Q38 PolarHBondContact O-N 2.9Å; T31-Q38 HydrophobicContact CG2-CB 3.96Å; T31-Q38 HydrophobicContact CG2-CG 3.91Å; K35-Q38 PolarHBondContact O-NE2 3.07Å; Q38-R40 PolarHBondContact O-N 3.24Å
39	R	92.2	Very high	81.7	Confident	124 Å²	124	66 Å²	66	47%	0.468	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.6	-179.4	-154.2	-172.3	172.9	-158.3	1.8	110.2	W26 F28	W26-R39 HydrophobicContact CB-CG 4.46Å; W26-R39 HydrophobicContact CD2-CG 4.24Å; W26-R39 HydrophobicContact CE3-CB 4.47Å; W26-R39 HydrophobicContact CE3-CG 3.62Å; W26-R39 VanDerWaalsContact CG-NH2 3.25Å; W26-R39 HydrophobicContact CZ3-CG 4.18Å; F28-R39 HydrophobicContact CD1-CB 3.88Å; F28-R39 HydrophobicContact CD1-CG 4.22Å; F28-R39 HydrophobicContact CE1-CB 3.65Å; F28-R39 HydrophobicContact CE1-CG 3.84Å; F28-R39 HydrophobicContact CE2-CG 4.45Å; F28-R39 HydrophobicContact CZ-CB 4.29Å; F28-R39 HydrophobicContact CZ-CG 3.97Å
40	R	92.2	Very high	81.6	Confident	45 Å²	45	65.5 Å²	65.5	17%	0.17	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146	179.7	-63.5	-65.3	179.5	-98.7	-0.8	110.2	W26 L27 K29 Q38 F42 Y51 Y52	W26-R40 WeakPolarHBondContact CA-O 3.37Å; W26-R40 VanDerWaalsContact CE3-O 3.27Å; L27-R40 PolarHBondContact N-O 3.41Å; L27-R40 PolarHBondContact O-N 3.3Å; L27-R40 VanDerWaalsContact O-O 3.06Å; K29-R40 HydrophobicContact CB-CG 4.16Å; Q38-R40 PolarHBondContact O-N 3.24Å; R40-F42 HydrophobicContact CB-CD2 4.14Å; R40-F42 HydrophobicContact CB-CE2 3.63Å; R40-F42 HydrophobicContact CB-CZ 4.37Å; R40-F42 WeakPolarHBondContact O-CD2 3.25Å; R40-Y51 HydrophobicContact CB-CD2 4.28Å; R40-Y51 HydrophobicContact CG-CD2 4.14Å; R40-Y52 WeakPolarHBondContact CA-O 3.34Å; R40-Y52 WeakPolarHBondContact CB-O 3.37Å; R40-Y52 WeakPolarHBondContact CD-O 3.39Å
41	W	90.3	Very high	81.8	Confident	20 Å²	20	62.6 Å²	62.6	8%	0.076	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.7	175.7	-178.1	-102.2	0	0	0	108.7	K24 W26 Y51 Y52 Q55 M58	K24-W41 HydrophobicContact CB-CZ2 3.94Å; K24-W41 HydrophobicContact CD-CZ2 3.96Å; K24-W41 HydrophobicContact CG-CH2 4.45Å; K24-W41 HydrophobicContact CG-CZ2 3.78Å; W26-W41 AromaticContact CD1-CE3 3.46Å; W26-W41 VanDerWaalsContact CD1-CE3 3.46Å; W26-W41 AromaticContact CD1-CZ3 3.37Å; W26-W41 HydrophobicContact CD2-CB 4.47Å; W26-W41 AromaticContact CD2-CE3 3.65Å; W26-W41 HydrophobicContact CD2-CE3 3.65Å; W26-W41 HydrophobicContact CD2-CZ3 4.35Å; W26-W41 AromaticContact CE2-CE3 3.46Å; W26-W41 VanDerWaalsContact CE2-CE3 3.46Å; W26-W41 HydrophobicContact CE3-CB 4.12Å; W26-W41 HydrophobicContact CE3-CE3 4.41Å; W26-W41 AromaticContact CG-CE3 3.7Å; W26-W41 HydrophobicContact CG-CE3 3.7Å; W26-W41 HydrophobicContact CG-CZ3 4.02Å; W26-W41 HydrophobicContact CH2-CB 4.21Å; W26-W41 HydrophobicContact CZ2-CB 4.49Å; W26-W41 HydrophobicContact CZ2-CE3 4.13Å; W26-W41 HydrophobicContact CZ3-CB 4Å; W26-W41 AromaticContact NE1-CE3 3.3Å; W26-W41 VanDerWaalsContact NE1-CE3 3.3Å; W26-W41 AromaticContact NE1-CZ3 3.34Å; W26-W41 VanDerWaalsContact NE1-CZ3 3.34Å; W41-Y51 CarbonylContact O-C 3.55Å; W41-Y51 VanDerWaalsContact O-CA 3.23Å; W41-Y51 WeakPolarHBondContact O-CA 3.06Å; W41-Y52 PolarHBondContact N-O 2.9Å; W41-Y52 PolarHBondContact O-N 2.95Å; W41-Q55 HydrophobicContact CD2-CB 3.9Å; W41-Q55 HydrophobicContact CD2-CG 4.19Å; W41-Q55 HydrophobicContact CE3-CB 4.4Å; W41-Q55 HydrophobicContact CG-CB 4.03Å; W41-Q55 HydrophobicContact CZ2-CB 4.47Å; W41-Q55 HydrophobicContact CZ2-CG 3.91Å; W41-M58 PolarHBondContact NE1-SD 2.83Å
42	F	92.6	Very high	82.2	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.3	-178.6	-77.8	-97.9	0	0	0	110.6	K24 G25 L27 K29 R40 L49 S50 Y51 L92 W103	K24-F42 CarbonylContact C-O 3.59Å; K24-F42 VanDerWaalsContact CA-O 3.23Å; K24-F42 WeakPolarHBondContact CA-O 3.41Å; G25-F42 PolarHBondContact N-O 3.41Å; G25-F42 PolarHBondContact O-N 2.81Å; L27-F42 HydrophobicContact CB-CD2 3.62Å; L27-F42 HydrophobicContact CB-CE2 3.66Å; L27-F42 HydrophobicContact CD1-CD2 4.17Å; L27-F42 HydrophobicContact CD1-CE2 4.49Å; L27-F42 HydrophobicContact CD1-CG 4.27Å; L27-F42 HydrophobicContact CG-CD2 4.23Å; K29-F42 HydrophobicContact CB-CE2 4.45Å; K29-F42 HydrophobicContact CB-CZ 4.19Å; K29-F42 HydrophobicContact CD-CZ 4.42Å; R40-F42 HydrophobicContact CB-CD2 4.14Å; R40-F42 HydrophobicContact CB-CE2 3.63Å; R40-F42 HydrophobicContact CB-CZ 4.37Å; R40-F42 WeakPolarHBondContact O-CD2 3.25Å; F42-L49 HydrophobicContact CB-CD1 4.17Å; F42-L49 HydrophobicContact CD1-CD1 3.92Å; F42-L49 HydrophobicContact CD1-CD2 3.89Å; F42-L49 HydrophobicContact CD1-CG 3.8Å; F42-L49 HydrophobicContact CE1-CD2 4.18Å; F42-L49 HydrophobicContact CE1-CG 4.42Å; F42-S50 CarbonylContact C-O 3.54Å; F42-S50 WeakPolarHBondContact CA-O 3.4Å; F42-Y51 HydrophobicContact CD1-CG 4.47Å; F42-Y51 VanDerWaalsContact CE1-CB 3.45Å; F42-Y51 HydrophobicContact CE1-CD1 4.02Å; F42-Y51 AromaticContact CE1-CG 3.91Å; F42-Y51 HydrophobicContact CE1-CG 3.91Å; F42-Y51 HydrophobicContact CZ-CD1 4.43Å; F42-Y51 HydrophobicContact CZ-CG 4.03Å; F42-L92 HydrophobicContact CE1-CD1 4.14Å; F42-L92 HydrophobicContact CE1-CD2 4.13Å; F42-L92 HydrophobicContact CE2-CD2 4.27Å; F42-L92 HydrophobicContact CZ-CD1 4.23Å; F42-L92 HydrophobicContact CZ-CD2 3.52Å; F42-W103 HydrophobicContact CB-CH2 3.54Å; F42-W103 HydrophobicContact CB-CZ2 4.12Å; F42-W103 HydrophobicContact CB-CZ3 4.13Å
43	V	90.5	Very high	82.7	Confident	17 Å²	17	63.4 Å²	63.4	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.6	177.9	-174.7	0	0	0	0	108.1	K24 S50 Y52 M58	K24-V43 HydrophobicContact CB-CG1 4.45Å; K24-V43 HydrophobicContact CB-CG2 4.15Å; V43-S50 PolarHBondContact N-O 3.23Å; V43-S50 PolarHBondContact O-N 3.42Å; V43-Y52 HydrophobicContact CB-CE2 4.33Å; V43-Y52 HydrophobicContact CG2-CD2 4.29Å; V43-Y52 HydrophobicContact CG2-CE2 3.94Å; V43-M58 HydrophobicContact CG1-CE 4.5Å; V43-M58 HydrophobicContact CG2-CE 3.68Å; V43-M58 HydrophobicContact CG2-SD 3.83Å
44	L	87.9	Confident	84.1	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.7	173.7	178.8	58	0	0	0	108.5	T22 Y23 L48 L49 L68 A106 L107 A110	T22-L44 VanDerWaalsContact CA-O 3.23Å; T22-L44 WeakPolarHBondContact CA-O 3.29Å; Y23-L44 PolarHBondContact N-O 2.9Å; Y23-L44 VanDerWaalsContact N-O 3.11Å; Y23-L44 WeakPolarHBondContact O-CB 3.28Å; Y23-L44 PolarHBondContact O-N 3.01Å; L44-L48 WeakPolarHBondContact CA-O 3.46Å; L44-L49 HydrophobicContact CB-CD1 4.05Å; L44-L49 HydrophobicContact CD1-CB 4.37Å; L44-L49 HydrophobicContact CD1-CD1 4.43Å; L44-L68 HydrophobicContact CD1-CD1 3.26Å; L44-L68 HydrophobicContact CD1-CG 4.47Å; L44-A106 HydrophobicContact CD2-CB 3.93Å; L44-A106 WeakPolarHBondContact CD2-O 3.45Å; L44-L107 HydrophobicContact CD1-CD2 4.17Å; L44-L107 HydrophobicContact CD2-CD2 4.18Å; L44-A110 HydrophobicContact CD1-CB 3.71Å; L44-A110 HydrophobicContact CD2-CB 3.74Å; L44-A110 HydrophobicContact CG-CB 3.97Å
45	S	84	Confident	85.7	Confident	37 Å²	37	51.9 Å²	51.9	26%	0.259	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	136.3	178.8	-173.3	0	0	0	0	110	T22 G47 L48	T22-S45 WeakPolarHBondContact CG2-OG 3.44Å; S45-G47 VanDerWaalsContact C-N 3.3Å; S45-G47 PolarHBondContact O-N 3.36Å; S45-L48 PolarHBondContact N-O 3.5Å; S45-L48 WeakPolarHBondContact O-CB 3.49Å; S45-L48 PolarHBondContact O-N 3.47Å; S45-L48 VanDerWaalsContact O-O 3.1Å
46	N	76.2	Confident	86.1	Confident	134 Å²	134	49.9 Å²	49.9	72%	0.717	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	42.4	171.9	-58.6	-19.6	0	0	0	114.5	L48	N46-L48 PolarHBondContact O-N 3.29Å
47	G	79.4	Confident	85.4	Confident	10 Å²	10	51.8 Å²	51.8	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	4.2	-179.5	0	0	0	0	0	115.1	S45 L68	S45-G47 VanDerWaalsContact C-N 3.3Å; S45-G47 PolarHBondContact O-N 3.36Å; G47-L68 VanDerWaalsContact O-CB 3.3Å; G47-L68 WeakPolarHBondContact O-CB 3.38Å; G47-L68 PolarHBondContact O-N 2.98Å
48	L	87.5	Confident	84.8	Confident	69 Å²	69	51.3 Å²	51.3	36%	0.361	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.6	179.1	-60.6	178.3	0	0	0	111	L44 S45 N46 T65 I66 N67	L44-L48 WeakPolarHBondContact CA-O 3.46Å; S45-L48 PolarHBondContact N-O 3.5Å; S45-L48 WeakPolarHBondContact O-CB 3.49Å; S45-L48 PolarHBondContact O-N 3.47Å; S45-L48 VanDerWaalsContact O-O 3.1Å; N46-L48 PolarHBondContact O-N 3.29Å; L48-T65 HydrophobicContact CB-CG2 3.73Å; L48-T65 HydrophobicContact CD1-CG2 4.06Å; L48-T65 HydrophobicContact CD2-CG2 4.09Å; L48-T65 HydrophobicContact CG-CG2 4.18Å; L48-I66 WeakPolarHBondContact CA-O 3.46Å; L48-N67 HydrophobicContact CD2-CB 4.03Å
49	L	89.5	Confident	83	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	104.3	170.6	-178.7	69.6	0	0	0	109.5	F42 L44 T65 I66 L68 L83 L92 W103 L107	F42-L49 HydrophobicContact CB-CD1 4.17Å; F42-L49 HydrophobicContact CD1-CD1 3.92Å; F42-L49 HydrophobicContact CD1-CD2 3.89Å; F42-L49 HydrophobicContact CD1-CG 3.8Å; F42-L49 HydrophobicContact CE1-CD2 4.18Å; F42-L49 HydrophobicContact CE1-CG 4.42Å; L44-L49 HydrophobicContact CB-CD1 4.05Å; L44-L49 HydrophobicContact CD1-CB 4.37Å; L44-L49 HydrophobicContact CD1-CD1 4.43Å; L49-T65 CarbonylContact O-C 3.47Å; L49-T65 WeakPolarHBondContact O-CA 3.3Å; L49-I66 HydrophobicContact CB-CB 4.28Å; L49-I66 HydrophobicContact CD2-CD1 4.28Å; L49-I66 PolarHBondContact N-O 3Å; L49-I66 PolarHBondContact O-N 3.25Å; L49-L68 HydrophobicContact CB-CD1 4.44Å; L49-L68 HydrophobicContact CB-CD2 4.19Å; L49-L68 HydrophobicContact CB-CG 4.34Å; L49-L83 HydrophobicContact CD2-CD1 3.59Å; L49-L92 HydrophobicContact CD2-CD1 4.44Å; L49-W103 HydrophobicContact CD1-CZ3 3.94Å; L49-L107 HydrophobicContact CB-CD2 4.32Å; L49-L107 HydrophobicContact CD1-CD2 3.93Å; L49-L107 HydrophobicContact CD2-CD2 3.71Å; L49-L107 HydrophobicContact CG-CD2 4.19Å
50	S	90.3	Very high	80.8	Confident	18 Å²	18	53.3 Å²	53.3	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.3	179.1	-60.2	0	0	0	0	111.6	F42 V43 G64 T65	F42-S50 CarbonylContact C-O 3.54Å; F42-S50 WeakPolarHBondContact CA-O 3.4Å; V43-S50 PolarHBondContact N-O 3.23Å; V43-S50 PolarHBondContact O-N 3.42Å; S50-G64 WeakPolarHBondContact CA-O 3.41Å; S50-T65 WeakPolarHBondContact OG-CG2 3.39Å; S50-T65 PolarHBondContact OG-OG1 2.84Å
51	Y	89.4	Confident	79.3	Confident	30 Å²	30	54.6 Å²	54.6	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.7	177.7	72.2	-86.1	0	0	0	114.6	K29 R40 W41 F42 R63 G64	K29-Y51 HydrophobicContact CD-CD2 4.21Å; K29-Y51 HydrophobicContact CD-CE1 4.3Å; K29-Y51 HydrophobicContact CD-CE2 3.77Å; R40-Y51 HydrophobicContact CB-CD2 4.28Å; R40-Y51 HydrophobicContact CG-CD2 4.14Å; W41-Y51 CarbonylContact O-C 3.55Å; W41-Y51 VanDerWaalsContact O-CA 3.23Å; W41-Y51 WeakPolarHBondContact O-CA 3.06Å; F42-Y51 HydrophobicContact CD1-CG 4.47Å; F42-Y51 VanDerWaalsContact CE1-CB 3.45Å; F42-Y51 HydrophobicContact CE1-CD1 4.02Å; F42-Y51 AromaticContact CE1-CG 3.91Å; F42-Y51 HydrophobicContact CE1-CG 3.91Å; F42-Y51 HydrophobicContact CZ-CD1 4.43Å; F42-Y51 HydrophobicContact CZ-CG 4.03Å; Y51-R63 HydrophobicContact CD2-CB 3.89Å; Y51-R63 HydrophobicContact CE2-CB 3.61Å; Y51-R63 WeakPolarHBondContact O-CB 3.5Å; Y51-R63 PolarHBondContact O-N 3.19Å; Y51-G64 VanDerWaalsContact CD1-O 3.24Å; Y51-G64 WeakPolarHBondContact CD1-O 3.46Å; Y51-G64 PolarHBondContact N-O 2.93Å
52	Y	88	Confident	78.8	Confident	30 Å²	30	56.7 Å²	56.7	12%	0.118	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.3	-171.6	-53.8	-94.1	0	0	0	109.9	R40 W41 V43 T54 M58 T61 C62	R40-Y52 WeakPolarHBondContact CA-O 3.34Å; R40-Y52 WeakPolarHBondContact CB-O 3.37Å; R40-Y52 WeakPolarHBondContact CD-O 3.39Å; W41-Y52 PolarHBondContact N-O 2.9Å; W41-Y52 PolarHBondContact O-N 2.95Å; V43-Y52 HydrophobicContact CB-CE2 4.33Å; V43-Y52 HydrophobicContact CG2-CD2 4.29Å; V43-Y52 HydrophobicContact CG2-CE2 3.94Å; Y52-T54 VanDerWaalsContact C-N 3.33Å; Y52-T54 WeakPolarHBondContact CB-O 3.11Å; Y52-M58 HydrophobicContact CD1-CB 4.45Å; Y52-M58 HydrophobicContact CD1-CG 4.11Å; Y52-M58 HydrophobicContact CD2-CG 3.81Å; Y52-M58 HydrophobicContact CE1-CB 4.36Å; Y52-M58 HydrophobicContact CE1-CG 4.24Å; Y52-M58 HydrophobicContact CE2-CG 3.97Å; Y52-M58 HydrophobicContact CG-CG 3.9Å; Y52-T61 WeakPolarHBondContact CD1-O 3.45Å; Y52-C62 HydrophobicContact CE1-CB 3.78Å
53	R	81.6	Confident	78.1	Confident	105 Å²	105	61.1 Å²	61.1	40%	0.396	34%	0.335	S	S	.	.	S	Bend	trans	-64.9	-42.6	171.8	-71.5	-175	178.5	159.6	2.4	110.1	W26 E57 R63	W26-R53 WeakPolarHBondContact CZ3-O 3.28Å; R53-E57 WeakPolarHBondContact CB-OE2 3.44Å; R53-R63 VanDerWaalsContact CD-NH2 3.25Å; R53-R63 HydrophobicContact CG-CG 4.42Å; R53-R63 VanDerWaalsContact NH1-NH2 3.1Å
54	T	81.5	Confident	77.6	Confident	52 Å²	52	61.3 Å²	61.3	32%	0.319	34%	0.34	S	S	.	.	S	Bend	trans	-139.9	162.8	178.3	66.7	0	0	0	0	112.2	Y52 A56 E57	Y52-T54 VanDerWaalsContact C-N 3.33Å; Y52-T54 WeakPolarHBondContact CB-O 3.11Å; T54-A56 VanDerWaalsContact C-N 3.27Å; T54-A56 PolarHBondContact O-N 2.68Å; T54-E57 PolarHBondContact O-N 3.45Å; T54-E57 WeakPolarHBondContact OG1-CG 3.45Å; T54-E57 PolarHBondContact OG1-N 3.24Å; T54-E57 PolarHBondContact OG1-OE1 3.43Å; T54-E57 VanDerWaalsContact OG1-OE1 3.11Å
55	Q	83.2	Confident	77.6	Confident	98 Å²	98	64.1 Å²	64.1	46%	0.458	36%	0.358	S	S	.	.	S	Bend	trans	-63.8	-31.7	175.4	-175.6	178.3	-2.2	0	0	112.5	W41 E57 M58	W41-Q55 HydrophobicContact CD2-CB 3.9Å; W41-Q55 HydrophobicContact CD2-CG 4.19Å; W41-Q55 HydrophobicContact CE3-CB 4.4Å; W41-Q55 HydrophobicContact CG-CB 4.03Å; W41-Q55 HydrophobicContact CZ2-CB 4.47Å; W41-Q55 HydrophobicContact CZ2-CG 3.91Å; Q55-E57 VanDerWaalsContact C-N 3.35Å; Q55-M58 HydrophobicContact CG-SD 4.19Å; Q55-M58 WeakPolarHBondContact O-CB 3.16Å; Q55-M58 VanDerWaalsContact O-CG 3.28Å; Q55-M58 WeakPolarHBondContact O-CG 3.47Å; Q55-M58 PolarHBondContact O-N 3.16Å
56	A	73.3	Confident	77.7	Confident	84 Å²	84	62.5 Å²	62.5	69%	0.694	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-70.8	-29.9	179.3	0	0	0	0	0	112.7	T54 M58	T54-A56 VanDerWaalsContact C-N 3.27Å; T54-A56 PolarHBondContact O-N 2.68Å; A56-M58 PolarHBondContact O-N 2.59Å
57	E	69.3	Low	78.1	Confident	52 Å²	52	59.5 Å²	59.5	24%	0.243	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-73.7	-5.1	178.6	-78.1	171.3	-123.2	0	0	114.2	R53 T54 Q55 A59 H60 T61 R63	R53-E57 WeakPolarHBondContact CB-OE2 3.44Å; T54-E57 PolarHBondContact O-N 3.45Å; T54-E57 WeakPolarHBondContact OG1-CG 3.45Å; T54-E57 PolarHBondContact OG1-N 3.24Å; T54-E57 PolarHBondContact OG1-OE1 3.43Å; T54-E57 VanDerWaalsContact OG1-OE1 3.11Å; Q55-E57 VanDerWaalsContact C-N 3.35Å; E57-A59 PolarHBondContact O-N 2.83Å; E57-A59 VanDerWaalsContact O-N 3.12Å; E57-H60 PolarHBondContact O-N 3.33Å; E57-T61 PolarHBondContact O-N 2.78Å; E57-T61 VanDerWaalsContact O-N 3.1Å; E57-R63 IonicContact OE2-NH2 3.39Å
58	M	74.3	Confident	78.4	Confident	72 Å²	72	59 Å²	59	36%	0.355	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-56.9	-27.3	178.4	-74.5	-179.2	57.5	0	0	113.6	W41 V43 Y52 Q55 A56	W41-M58 PolarHBondContact NE1-SD 2.83Å; V43-M58 HydrophobicContact CG1-CE 4.5Å; V43-M58 HydrophobicContact CG2-CE 3.68Å; V43-M58 HydrophobicContact CG2-SD 3.83Å; Y52-M58 HydrophobicContact CD1-CB 4.45Å; Y52-M58 HydrophobicContact CD1-CG 4.11Å; Y52-M58 HydrophobicContact CD2-CG 3.81Å; Y52-M58 HydrophobicContact CE1-CB 4.36Å; Y52-M58 HydrophobicContact CE1-CG 4.24Å; Y52-M58 HydrophobicContact CE2-CG 3.97Å; Y52-M58 HydrophobicContact CG-CG 3.9Å; Q55-M58 HydrophobicContact CG-SD 4.19Å; Q55-M58 WeakPolarHBondContact O-CB 3.16Å; Q55-M58 VanDerWaalsContact O-CG 3.28Å; Q55-M58 WeakPolarHBondContact O-CG 3.47Å; Q55-M58 PolarHBondContact O-N 3.16Å; A56-M58 PolarHBondContact O-N 2.59Å
59	A	49.1	Very low	78	Confident	81 Å²	81	56.4 Å²	56.4	67%	0.669	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-83.5	-12.2	179.6	0	0	0	0	0	114.1	E57	E57-A59 PolarHBondContact O-N 2.83Å; E57-A59 VanDerWaalsContact O-N 3.12Å
60	H	46	Very low	77.5	Confident	158 Å²	158	59.3 Å²	59.3	73%	0.731	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-37.8	-165.3	-61.6	-61.7	0	0	0	114.2	E57	E57-H60 PolarHBondContact O-N 3.33Å
61	T	61.3	Low	77.1	Confident	71 Å²	71	58.5 Å²	58.5	44%	0.436	33%	0.326	S	S	.	.			trans	-156.4	116.6	-178.3	53.8	0	0	0	0	113.4	Y52 E57	Y52-T61 WeakPolarHBondContact CD1-O 3.45Å; E57-T61 PolarHBondContact O-N 2.78Å; E57-T61 VanDerWaalsContact O-N 3.1Å
62	C	80.5	Confident	77	Confident	64 Å²	64	62.7 Å²	62.7	43%	0.432	35%	0.346	S	S	.	.			trans	-79.7	138	168.1	-174.9	0	0	0	0	110.6	Y52	Y52-C62 HydrophobicContact CE1-CB 3.78Å
63	R	77.5	Confident	77	Confident	95 Å²	95	62 Å²	62	36%	0.358	35%	0.345	S	S	.	.			trans	-93	-17.9	-179	-61.7	-61.6	-178	142.9	-11	114	Y51 R53 E57	Y51-R63 HydrophobicContact CD2-CB 3.89Å; Y51-R63 HydrophobicContact CE2-CB 3.61Å; Y51-R63 WeakPolarHBondContact O-CB 3.5Å; Y51-R63 PolarHBondContact O-N 3.19Å; R53-R63 VanDerWaalsContact CD-NH2 3.25Å; R53-R63 HydrophobicContact CG-CG 4.42Å; R53-R63 VanDerWaalsContact NH1-NH2 3.1Å; E57-R63 IonicContact OE2-NH2 3.39Å
64	G	80.7	Confident	77.2	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.4	151.5	179.3	0	0	0	0	0	110.5	S50 Y51	S50-G64 WeakPolarHBondContact CA-O 3.41Å; Y51-G64 VanDerWaalsContact CD1-O 3.24Å; Y51-G64 WeakPolarHBondContact CD1-O 3.46Å; Y51-G64 PolarHBondContact N-O 2.93Å
65	T	86.9	Confident	77.4	Confident	65 Å²	65	61.4 Å²	61.4	40%	0.399	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135	-178.2	-60.3	0	0	0	0	108.8	L48 L49 S50	L48-T65 HydrophobicContact CB-CG2 3.73Å; L48-T65 HydrophobicContact CD1-CG2 4.06Å; L48-T65 HydrophobicContact CD2-CG2 4.09Å; L48-T65 HydrophobicContact CG-CG2 4.18Å; L49-T65 CarbonylContact O-C 3.47Å; L49-T65 WeakPolarHBondContact O-CA 3.3Å; S50-T65 WeakPolarHBondContact OG-CG2 3.39Å; S50-T65 PolarHBondContact OG-OG1 2.84Å
66	I	86.3	Confident	76.6	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.6	-178.3	-55.5	169.7	0	0	0	107.2	L48 L49 L68 L83 Y90	L48-I66 WeakPolarHBondContact CA-O 3.46Å; L49-I66 HydrophobicContact CB-CB 4.28Å; L49-I66 HydrophobicContact CD2-CD1 4.28Å; L49-I66 PolarHBondContact N-O 3Å; L49-I66 PolarHBondContact O-N 3.25Å; I66-L68 HydrophobicContact CG2-CD2 4.47Å; I66-L68 PolarHBondContact O-N 3.23Å; I66-L83 HydrophobicContact CD1-CD1 4.16Å; I66-Y90 HydrophobicContact CD1-CD1 4.11Å; I66-Y90 HydrophobicContact CD1-CD2 3.61Å; I66-Y90 HydrophobicContact CD1-CE1 4.33Å; I66-Y90 HydrophobicContact CD1-CE2 3.89Å; I66-Y90 HydrophobicContact CD1-CG 3.73Å; I66-Y90 HydrophobicContact CG1-CD2 4.03Å; I66-Y90 HydrophobicContact CG1-CE1 4.43Å; I66-Y90 HydrophobicContact CG1-CE2 3.75Å; I66-Y90 HydrophobicContact CG1-CG 4.48Å; I66-Y90 HydrophobicContact CG2-CE2 4.36Å
67	N	85.2	Confident	76.8	Confident	70 Å²	70	62.6 Å²	62.6	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.9	174	-173.7	-12.1	0	0	0	109.4	L48 A69 A71 S85	L48-N67 HydrophobicContact CD2-CB 4.03Å; N67-A69 WeakPolarHBondContact OD1-CB 3.2Å; N67-A69 PolarHBondContact OD1-N 3Å; N67-A71 WeakPolarHBondContact O-CB 3.48Å; N67-S85 PolarHBondContact O-OG 3Å; N67-S85 VanDerWaalsContact O-OG 3.11Å
68	L	85.4	Confident	77.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-79.2	-19.4	-177	-63.2	-179.4	0	0	0	113.6	L44 G47 L49 I66 T70 A71 L107 A110 K111	L44-L68 HydrophobicContact CD1-CD1 3.26Å; L44-L68 HydrophobicContact CD1-CG 4.47Å; G47-L68 VanDerWaalsContact O-CB 3.3Å; G47-L68 WeakPolarHBondContact O-CB 3.38Å; G47-L68 PolarHBondContact O-N 2.98Å; L49-L68 HydrophobicContact CB-CD1 4.44Å; L49-L68 HydrophobicContact CB-CD2 4.19Å; L49-L68 HydrophobicContact CB-CG 4.34Å; I66-L68 HydrophobicContact CG2-CD2 4.47Å; I66-L68 PolarHBondContact O-N 3.23Å; L68-T70 PolarHBondContact O-N 3.21Å; L68-A71 HydrophobicContact CD2-CB 4.06Å; L68-A71 PolarHBondContact O-N 3.05Å; L68-A71 VanDerWaalsContact O-N 3.17Å; L68-L107 HydrophobicContact CD1-CD2 3.8Å; L68-L107 HydrophobicContact CD2-CD2 4.08Å; L68-A110 HydrophobicContact CD1-CB 3.89Å; L68-K111 HydrophobicContact CB-CB 4.17Å; L68-K111 VanDerWaalsContact O-CG 3.23Å; L68-K111 WeakPolarHBondContact O-CG 3.32Å
69	A	79.6	Confident	77.6	Confident	15 Å²	15	60.7 Å²	60.7	12%	0.124	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.1	178.9	0	0	0	0	0	111.9	N67 A114 M118	N67-A69 WeakPolarHBondContact OD1-CB 3.2Å; N67-A69 PolarHBondContact OD1-N 3Å; A69-A114 HydrophobicContact CB-CB 3.98Å; A69-M118 HydrophobicContact CB-SD 3.63Å
70	T	78.3	Confident	79.4	Confident	60 Å²	60	58 Å²	58	37%	0.368	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	6.7	178.9	59.6	0	0	0	0	113.3	L68 S85	L68-T70 PolarHBondContact O-N 3.21Å; T70-S85 PolarHBondContact OG1-OG 3.32Å
71	A	82.9	Confident	81.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	29%	0.286	C	S	.	.			trans	-84.5	128.6	-176.8	0	0	0	0	0	112	N67 L68 S84 K111	N67-A71 WeakPolarHBondContact O-CB 3.48Å; L68-A71 HydrophobicContact CD2-CB 4.06Å; L68-A71 PolarHBondContact O-N 3.05Å; L68-A71 VanDerWaalsContact O-N 3.17Å; A71-S84 CarbonylContact C-O 3.53Å; A71-S84 VanDerWaalsContact CA-O 3.29Å; A71-S84 WeakPolarHBondContact CA-O 3.48Å; A71-K111 WeakPolarHBondContact O-CD 3.41Å; A71-K111 WeakPolarHBondContact O-CE 3.41Å; A71-K111 PolarHBondContact O-NZ 3.44Å
72	H	85.5	Confident	82.9	Confident	119 Å²	119	47.5 Å²	47.5	55%	0.551	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.2	163.5	-162.1	74.9	0	0	0	109.8	L83 S84	H72-L83 CarbonylContact O-C 3.59Å; H72-L83 WeakPolarHBondContact O-CA 3.24Å; H72-S84 PolarHBondContact N-O 3.48Å; H72-S84 PolarHBondContact O-N 2.95Å
73	I	89.4	Confident	83.3	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.082	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.9	-178	-49.6	-175	0	0	0	107	I81 L83 L107 E108 K111	I73-I81 HydrophobicContact CG2-CG2 4.09Å; I73-L83 HydrophobicContact CB-CD2 4.03Å; I73-L83 HydrophobicContact CD1-CD2 4.16Å; I73-L83 HydrophobicContact CG1-CD2 3.61Å; I73-L83 HydrophobicContact CG2-CD2 3.8Å; I73-L107 HydrophobicContact CD1-CB 3.61Å; I73-E108 HydrophobicContact CD1-CG 4.17Å; I73-K111 HydrophobicContact CD1-CD 4.39Å
74	D	86.1	Confident	83.6	Confident	78 Å²	78	42 Å²	42	42%	0.417	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.9	176.3	-159.4	-4.5	0	0	0	110.4	V82	D74-V82 HydrophobicContact CB-CB 4.38Å; D74-V82 PolarHBondContact N-O 3.17Å; D74-V82 PolarHBondContact O-N 3.31Å
75	T	84.7	Confident	83.6	Confident	65 Å²	65	41.8 Å²	41.8	40%	0.399	24%	0.239	S	C	.	.			trans	-125.9	94.8	179	57.8	0	0	0	0	109.1	V104	T75-V104 HydrophobicContact CG2-CG1 4.38Å; T75-V104 HydrophobicContact CG2-CG2 3.71Å
76	E	67	Low	82.7	Confident	114 Å²	114	42.2 Å²	42.2	53%	0.533	26%	0.256	S	S	.	.			trans	-77.8	-33.3	-176.8	-64.1	176.2	172.1	0	0	112.7	V82	E76-V82 HydrophobicContact CG-CG2 4.12Å
77	D	76.1	Confident	82	Confident	94 Å²	94	46.1 Å²	46.1	50%	0.503	30%	0.298	S	S	.	.	S	Bend	trans	-140.8	173.1	-175.1	-70.8	-48.5	0	0	0	113.8	C79 N80 R100	D77-C79 PolarHBondContact O-N 2.98Å; D77-N80 HydrophobicContact CB-CB 4.11Å; D77-N80 PolarHBondContact O-N 3.24Å; D77-N80 PolarHBondContact OD2-ND2 2.95Å; D77-R100 PolarHBondContact O-NH1 2.73Å
78	A	76.7	Confident	81.6	Confident	52 Å²	52	50.9 Å²	50.9	43%	0.43	31%	0.311	S	S	.	.	S	Bend	trans	-50.3	-25.4	178	0	0	0	0	0	115.2	E97 R100	A78-E97 VanDerWaalsContact O-CA 3.22Å; A78-E97 WeakPolarHBondContact O-CA 3.49Å; A78-E97 VanDerWaalsContact O-CB 3.29Å; A78-E97 WeakPolarHBondContact O-CB 3.44Å; A78-E97 WeakPolarHBondContact O-CG 3.31Å; A78-R100 VanDerWaalsContact C-NH1 3.27Å; A78-R100 WeakPolarHBondContact O-CD 3.47Å; A78-R100 VanDerWaalsContact O-CZ 3.28Å; A78-R100 PolarHBondContact O-NE 3.25Å; A78-R100 PolarHBondContact O-NH1 3.15Å
79	C	84.6	Confident	81.6	Confident	32 Å²	32	54.5 Å²	54.5	22%	0.216	33%	0.333	C	S	.	.	S	Bend	trans	-133.1	-3.5	-178.5	-67.6	0	0	0	0	114.7	D77 K93 A94	D77-C79 PolarHBondContact O-N 2.98Å; C79-K93 HydrophobicContact CB-CG 4.28Å; C79-K93 CarbonylContact O-C 3.58Å; C79-K93 WeakPolarHBondContact O-CA 3.48Å; C79-A94 PolarHBondContact O-N 3.45Å
80	N	86.9	Confident	82	Confident	24 Å²	24	55.4 Å²	55.4	13%	0.128	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	145.6	-175.6	-65.3	-30.2	0	0	0	110.8	D77 L92 K93	D77-N80 HydrophobicContact CB-CB 4.11Å; D77-N80 PolarHBondContact O-N 3.24Å; D77-N80 PolarHBondContact OD2-ND2 2.95Å; N80-L92 CarbonylContact C-O 3.43Å; N80-L92 WeakPolarHBondContact CA-O 3.4Å; N80-K93 WeakPolarHBondContact OD1-CD 3.39Å; N80-K93 WeakPolarHBondContact OD1-CG 3.42Å
81	I	91.1	Very high	82.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.4	176.5	-51.5	171.8	0	0	0	106.4	I73 L83 L92 R100 W103 V104	I73-I81 HydrophobicContact CG2-CG2 4.09Å; I81-L83 HydrophobicContact CG2-CD2 4.12Å; I81-L83 HydrophobicContact CG2-CG 4.34Å; I81-L92 HydrophobicContact CB-CB 4.27Å; I81-L92 PolarHBondContact N-O 2.63Å; I81-L92 WeakPolarHBondContact O-CA 3.27Å; I81-L92 WeakPolarHBondContact O-CB 3.43Å; I81-L92 PolarHBondContact O-N 3.46Å; I81-R100 HydrophobicContact CD1-CG 3.9Å; I81-R100 HydrophobicContact CG1-CG 3.6Å; I81-W103 HydrophobicContact CD1-CB 3.84Å; I81-V104 HydrophobicContact CD1-CG2 3.83Å; I81-V104 HydrophobicContact CG1-CG2 3.89Å; I81-V104 HydrophobicContact CG2-CG2 4.28Å
82	V	89.1	Confident	83.1	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.7	176.8	-177.4	0	0	0	0	108.4	D74 E76 T89 Y90	D74-V82 HydrophobicContact CB-CB 4.38Å; D74-V82 PolarHBondContact N-O 3.17Å; D74-V82 PolarHBondContact O-N 3.31Å; E76-V82 HydrophobicContact CG-CG2 4.12Å; V82-T89 HydrophobicContact CG1-CG2 3.38Å; V82-Y90 WeakPolarHBondContact CA-O 3.24Å
83	L	88.8	Confident	83.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.7	177.2	-58.9	176.6	0	0	0	109.7	L49 I66 H72 I73 I81 T89 Y90 L92 L107	L49-L83 HydrophobicContact CD2-CD1 3.59Å; I66-L83 HydrophobicContact CD1-CD1 4.16Å; H72-L83 CarbonylContact O-C 3.59Å; H72-L83 WeakPolarHBondContact O-CA 3.24Å; I73-L83 HydrophobicContact CB-CD2 4.03Å; I73-L83 HydrophobicContact CD1-CD2 4.16Å; I73-L83 HydrophobicContact CG1-CD2 3.61Å; I73-L83 HydrophobicContact CG2-CD2 3.8Å; I81-L83 HydrophobicContact CG2-CD2 4.12Å; I81-L83 HydrophobicContact CG2-CG 4.34Å; L83-T89 CarbonylContact O-C 3.58Å; L83-T89 WeakPolarHBondContact O-CA 3.38Å; L83-Y90 PolarHBondContact N-O 3.29Å; L83-Y90 WeakPolarHBondContact O-CD2 3.2Å; L83-Y90 PolarHBondContact O-N 3.04Å; L83-L92 HydrophobicContact CD1-CD1 3.58Å; L83-L92 HydrophobicContact CG-CD1 4.24Å; L83-L107 HydrophobicContact CD1-CD1 4.38Å; L83-L107 HydrophobicContact CD2-CD1 4.25Å
84	S	84.4	Confident	83.5	Confident	43 Å²	43	53.5 Å²	53.5	30%	0.301	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.6	177.5	-57.5	0	0	0	0	109.5	A71 H72 R88	A71-S84 CarbonylContact C-O 3.53Å; A71-S84 VanDerWaalsContact CA-O 3.29Å; A71-S84 WeakPolarHBondContact CA-O 3.48Å; H72-S84 PolarHBondContact N-O 3.48Å; H72-S84 PolarHBondContact O-N 2.95Å; S84-R88 WeakPolarHBondContact CA-O 3.26Å
85	S	80.7	Confident	83.5	Confident	17 Å²	17	53.6 Å²	53.6	12%	0.119	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	128.5	-177.8	178.8	0	0	0	0	109.8	N67 T70 G87 R88	N67-S85 PolarHBondContact O-OG 3Å; N67-S85 VanDerWaalsContact O-OG 3.11Å; T70-S85 PolarHBondContact OG1-OG 3.32Å; S85-G87 VanDerWaalsContact C-N 3.35Å; S85-G87 PolarHBondContact O-N 2.87Å; S85-R88 PolarHBondContact N-O 3.05Å; S85-R88 PolarHBondContact O-N 3.39Å; S85-R88 VanDerWaalsContact O-N 3.11Å
86	G	68.4	Low	83.5	Confident	74 Å²	74	53.8 Å²	53.8	76%	0.763	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	39.7	177.3	0	0	0	0	0	114.7	R88	G86-R88 VanDerWaalsContact C-N 3.25Å; G86-R88 PolarHBondContact O-N 3.33Å
87	G	70.1	Confident	84.2	Confident	87 Å²	87	53.4 Å²	53.4	90%	0.897	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	2.4	-178.9	0	0	0	0	0	115.4	S85	S85-G87 VanDerWaalsContact C-N 3.35Å; S85-G87 PolarHBondContact O-N 2.87Å
88	R	76.9	Confident	84.4	Confident	170 Å²	170	53.3 Å²	53.3	64%	0.642	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	136	176	-65.7	-179.9	175.1	-177.7	-3	111	S84 S85 G86 Y90	S84-R88 WeakPolarHBondContact CA-O 3.26Å; S85-R88 PolarHBondContact N-O 3.05Å; S85-R88 PolarHBondContact O-N 3.39Å; S85-R88 VanDerWaalsContact O-N 3.11Å; G86-R88 VanDerWaalsContact C-N 3.25Å; G86-R88 PolarHBondContact O-N 3.33Å; R88-Y90 HydrophobicContact CB-CE2 4.05Å
89	T	85.8	Confident	84.8	Confident	76 Å²	76	53.1 Å²	53.1	47%	0.466	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.5	178.2	-53	0	0	0	0	110.7	V82 L83	V82-T89 HydrophobicContact CG1-CG2 3.38Å; L83-T89 CarbonylContact O-C 3.58Å; L83-T89 WeakPolarHBondContact O-CA 3.38Å
90	Y	89.1	Confident	85	Confident	34 Å²	34	52.9 Å²	52.9	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.5	179.9	-57.2	-85.1	0	0	0	109.7	I66 V82 L83 R88	I66-Y90 HydrophobicContact CD1-CD1 4.11Å; I66-Y90 HydrophobicContact CD1-CD2 3.61Å; I66-Y90 HydrophobicContact CD1-CE1 4.33Å; I66-Y90 HydrophobicContact CD1-CE2 3.89Å; I66-Y90 HydrophobicContact CD1-CG 3.73Å; I66-Y90 HydrophobicContact CG1-CD2 4.03Å; I66-Y90 HydrophobicContact CG1-CE1 4.43Å; I66-Y90 HydrophobicContact CG1-CE2 3.75Å; I66-Y90 HydrophobicContact CG1-CG 4.48Å; I66-Y90 HydrophobicContact CG2-CE2 4.36Å; V82-Y90 WeakPolarHBondContact CA-O 3.24Å; L83-Y90 PolarHBondContact N-O 3.29Å; L83-Y90 WeakPolarHBondContact O-CD2 3.2Å; L83-Y90 PolarHBondContact O-N 3.04Å; R88-Y90 HydrophobicContact CB-CE2 4.05Å
91	H	90.7	Very high	84.9	Confident	64 Å²	64	56.2 Å²	56.2	30%	0.296	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.8	173.5	-57.7	-90.8	0	0	0	109.8	W30 Y37	W30-H91 HydrophobicContact CB-CB 3.89Å; W30-H91 PolarHBondContact N-O 3.4Å; Y37-H91 HydrophobicContact CE1-CB 4.46Å
92	L	93.2	Very high	84.7	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.9	179.6	-53.3	-177.6	0	0	0	110.2	L27 F28 K29 F42 L49 N80 I81 L83	L27-L92 HydrophobicContact CD1-CD1 4.04Å; F28-L92 CarbonylContact O-C 3.51Å; F28-L92 VanDerWaalsContact O-CA 3.24Å; F28-L92 WeakPolarHBondContact O-CA 3.3Å; K29-L92 HydrophobicContact CB-CD2 3.77Å; K29-L92 HydrophobicContact CG-CD2 3.82Å; F42-L92 HydrophobicContact CE1-CD1 4.14Å; F42-L92 HydrophobicContact CE1-CD2 4.13Å; F42-L92 HydrophobicContact CE2-CD2 4.27Å; F42-L92 HydrophobicContact CZ-CD1 4.23Å; F42-L92 HydrophobicContact CZ-CD2 3.52Å; L49-L92 HydrophobicContact CD2-CD1 4.44Å; N80-L92 CarbonylContact C-O 3.43Å; N80-L92 WeakPolarHBondContact CA-O 3.4Å; I81-L92 HydrophobicContact CB-CB 4.27Å; I81-L92 PolarHBondContact N-O 2.63Å; I81-L92 WeakPolarHBondContact O-CA 3.27Å; I81-L92 WeakPolarHBondContact O-CB 3.43Å; I81-L92 PolarHBondContact O-N 3.46Å; L83-L92 HydrophobicContact CD1-CD1 3.58Å; L83-L92 HydrophobicContact CG-CD1 4.24Å
93	K	91.3	Very high	84.8	Confident	89 Å²	89	63.4 Å²	63.4	39%	0.387	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	125.5	178.1	-177.8	173.6	-175.4	173.9	0	110.5	F28 Y37 C79 N80	F28-K93 HydrophobicContact CB-CB 4.2Å; F28-K93 PolarHBondContact N-O 3.45Å; F28-K93 PolarHBondContact O-N 2.78Å; Y37-K93 HydrophobicContact CD1-CB 4.13Å; Y37-K93 HydrophobicContact CE1-CB 3.92Å; C79-K93 HydrophobicContact CB-CG 4.28Å; C79-K93 CarbonylContact O-C 3.58Å; C79-K93 WeakPolarHBondContact O-CA 3.48Å; N80-K93 WeakPolarHBondContact OD1-CD 3.39Å; N80-K93 WeakPolarHBondContact OD1-CG 3.42Å
94	A	91.8	Very high	84.7	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.017	36%	0.358	C	S	.	.			trans	-84.2	160.7	173.1	0	0	0	0	0	111	L27 C79 T96 E99 R100	L27-A94 HydrophobicContact CD2-CB 3.78Å; C79-A94 PolarHBondContact O-N 3.45Å; A94-T96 VanDerWaalsContact C-N 3.3Å; A94-T96 PolarHBondContact O-N 3.26Å; A94-E99 HydrophobicContact CB-CB 4.2Å; A94-E99 HydrophobicContact CB-CG 4.24Å; A94-R100 HydrophobicContact CB-CB 3.79Å
95	S	85.6	Confident	84.8	Confident	79 Å²	79	65.4 Å²	65.4	55%	0.552	36%	0.364	S	S	*	.	S	Bend	trans	-74.3	-23.8	-179.5	70.4	0	0	0	0	113	E99	S95-E99 VanDerWaalsContact CB-OE2 3.26Å; S95-E99 WeakPolarHBondContact CB-OE2 3.37Å; S95-E99 PolarHBondContact N-OE2 3.49Å; S95-E99 PolarHBondContact OG-OE2 3.13Å
96	T	84.4	Confident	85.1	Confident	69 Å²	69	65.4 Å²	65.4	42%	0.423	37%	0.365	S	S	.	.	S	Bend	trans	-145.2	159.4	178.6	62	0	0	0	0	110.8	A94 V98 E99 R100	A94-T96 VanDerWaalsContact C-N 3.3Å; A94-T96 PolarHBondContact O-N 3.26Å; T96-V98 VanDerWaalsContact C-N 3.26Å; T96-V98 PolarHBondContact O-N 2.93Å; T96-E99 PolarHBondContact O-N 3.13Å; T96-E99 VanDerWaalsContact O-N 3.17Å; T96-E99 VanDerWaalsContact OG1-CB 3.29Å; T96-E99 WeakPolarHBondContact OG1-CB 3.3Å; T96-E99 PolarHBondContact OG1-N 2.71Å; T96-E99 VanDerWaalsContact OG1-N 3.12Å; T96-R100 PolarHBondContact O-N 3.07Å
97	E	82.9	Confident	86.1	Confident	106 Å²	106	61.9 Å²	61.9	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-36.2	174.8	177.9	163.4	-153	0	0	112.8	A78 R100 Q101	A78-E97 VanDerWaalsContact O-CA 3.22Å; A78-E97 WeakPolarHBondContact O-CA 3.49Å; A78-E97 VanDerWaalsContact O-CB 3.29Å; A78-E97 WeakPolarHBondContact O-CB 3.44Å; A78-E97 WeakPolarHBondContact O-CG 3.31Å; E97-R100 VanDerWaalsContact CG-NH2 3.33Å; E97-R100 WeakPolarHBondContact O-CB 3.35Å; E97-R100 PolarHBondContact O-N 3.08Å; E97-R100 IonicContact OE1-CZ 3.17Å; E97-R100 IonicContact OE1-NH1 3.95Å; E97-R100 IonicContact OE1-NH2 3.67Å; E97-R100 PolarHBondContact OE1-NH2 3.32Å; E97-Q101 PolarHBondContact O-N 2.86Å
98	V	80.4	Confident	86.9	Confident	92 Å²	92	61.4 Å²	61.4	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-65.5	-41.8	176.2	179.2	0	0	0	0	110.8	T96 Q101 R102	T96-V98 VanDerWaalsContact C-N 3.26Å; T96-V98 PolarHBondContact O-N 2.93Å; V98-Q101 PolarHBondContact O-N 3.44Å; V98-R102 WeakPolarHBondContact O-CG 3.46Å; V98-R102 PolarHBondContact O-N 3.25Å; V98-R102 VanDerWaalsContact O-N 3.11Å
99	E	84.4	Confident	87.2	Confident	49 Å²	49	59 Å²	59	23%	0.229	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-39.3	176.2	-172.8	178.3	-139.3	0	0	111.6	A94 S95 T96 Q101 R102 W103	A94-E99 HydrophobicContact CB-CB 4.2Å; A94-E99 HydrophobicContact CB-CG 4.24Å; S95-E99 VanDerWaalsContact CB-OE2 3.26Å; S95-E99 WeakPolarHBondContact CB-OE2 3.37Å; S95-E99 PolarHBondContact N-OE2 3.49Å; S95-E99 PolarHBondContact OG-OE2 3.13Å; T96-E99 PolarHBondContact O-N 3.13Å; T96-E99 VanDerWaalsContact O-N 3.17Å; T96-E99 VanDerWaalsContact OG1-CB 3.29Å; T96-E99 WeakPolarHBondContact OG1-CB 3.3Å; T96-E99 PolarHBondContact OG1-N 2.71Å; T96-E99 VanDerWaalsContact OG1-N 3.12Å; E99-Q101 VanDerWaalsContact C-N 3.33Å; E99-Q101 PolarHBondContact O-N 3.49Å; E99-R102 PolarHBondContact O-N 3.21Å; E99-W103 PolarHBondContact O-N 3.36Å
100	R	88.8	Confident	87.1	Confident	26 Å²	26	56.2 Å²	56.2	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-54.6	-51.2	171.3	-177.3	-150.8	58.9	-167	-9.8	110.1	D77 A78 I81 A94 T96 E97 R102 W103 V104	D77-R100 PolarHBondContact O-NH1 2.73Å; A78-R100 VanDerWaalsContact C-NH1 3.27Å; A78-R100 WeakPolarHBondContact O-CD 3.47Å; A78-R100 VanDerWaalsContact O-CZ 3.28Å; A78-R100 PolarHBondContact O-NE 3.25Å; A78-R100 PolarHBondContact O-NH1 3.15Å; I81-R100 HydrophobicContact CD1-CG 3.9Å; I81-R100 HydrophobicContact CG1-CG 3.6Å; A94-R100 HydrophobicContact CB-CB 3.79Å; T96-R100 PolarHBondContact O-N 3.07Å; E97-R100 VanDerWaalsContact CG-NH2 3.33Å; E97-R100 WeakPolarHBondContact O-CB 3.35Å; E97-R100 PolarHBondContact O-N 3.08Å; E97-R100 IonicContact OE1-CZ 3.17Å; E97-R100 IonicContact OE1-NH1 3.95Å; E97-R100 IonicContact OE1-NH2 3.67Å; E97-R100 PolarHBondContact OE1-NH2 3.32Å; R100-R102 VanDerWaalsContact C-N 3.3Å; R100-R102 PolarHBondContact O-N 3.45Å; R100-W103 PolarHBondContact O-N 2.92Å; R100-W103 VanDerWaalsContact O-N 3.16Å; R100-V104 HydrophobicContact CG-CG2 4.27Å; R100-V104 WeakPolarHBondContact O-CG2 3.4Å; R100-V104 PolarHBondContact O-N 3.08Å
101	Q	84.9	Confident	86.9	Confident	94 Å²	94	56.3 Å²	56.3	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-39.3	-177.5	-166.1	59.9	34.7	0	0	112.2	E97 V98 E99 T105	E97-Q101 PolarHBondContact O-N 2.86Å; V98-Q101 PolarHBondContact O-N 3.44Å; E99-Q101 VanDerWaalsContact C-N 3.33Å; E99-Q101 PolarHBondContact O-N 3.49Å; Q101-T105 WeakPolarHBondContact O-CB 3.48Å; Q101-T105 PolarHBondContact O-N 2.91Å; Q101-T105 PolarHBondContact O-OG1 3.29Å
102	R	86.9	Confident	86.5	Confident	159 Å²	159	55.4 Å²	55.4	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-44.9	174.8	-71.5	174.1	-179.8	-178.9	0.4	112.2	V98 E99 R100 T105 A106	V98-R102 WeakPolarHBondContact O-CG 3.46Å; V98-R102 PolarHBondContact O-N 3.25Å; V98-R102 VanDerWaalsContact O-N 3.11Å; E99-R102 PolarHBondContact O-N 3.21Å; R100-R102 VanDerWaalsContact C-N 3.3Å; R100-R102 PolarHBondContact O-N 3.45Å; R102-T105 PolarHBondContact O-N 3.44Å; R102-A106 WeakPolarHBondContact O-CB 3.45Å; R102-A106 PolarHBondContact O-N 2.96Å
103	W	90.9	Very high	85.7	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-48.4	175.9	-86.1	106.3	0	0	0	112.3	Y23 L27 F42 L49 I81 E99 R100 T105 A106 L107	Y23-W103 HydrophobicContact CD1-CD2 4.03Å; Y23-W103 AromaticContact CD1-CE3 3.73Å; Y23-W103 HydrophobicContact CD1-CE3 3.73Å; Y23-W103 AromaticContact CD1-CH2 3.9Å; Y23-W103 HydrophobicContact CD1-CH2 3.9Å; Y23-W103 HydrophobicContact CD1-CZ2 4.19Å; Y23-W103 AromaticContact CD1-CZ3 3.66Å; Y23-W103 HydrophobicContact CD1-CZ3 3.66Å; Y23-W103 AromaticContact CE1-CD2 3.65Å; Y23-W103 HydrophobicContact CE1-CD2 3.65Å; Y23-W103 AromaticContact CE1-CE2 3.72Å; Y23-W103 AromaticContact CE1-CE3 3.86Å; Y23-W103 HydrophobicContact CE1-CE3 3.86Å; Y23-W103 HydrophobicContact CE1-CG 4.14Å; Y23-W103 HydrophobicContact CE1-CH2 4.21Å; Y23-W103 HydrophobicContact CE1-CZ2 4.03Å; Y23-W103 HydrophobicContact CE1-CZ3 4.13Å; L27-W103 HydrophobicContact CD1-CD2 3.74Å; L27-W103 HydrophobicContact CD1-CE3 4.1Å; L27-W103 HydrophobicContact CD1-CG 4.01Å; L27-W103 HydrophobicContact CD1-CZ2 4.29Å; L27-W103 HydrophobicContact CD2-CD2 4.41Å; L27-W103 HydrophobicContact CD2-CG 4.02Å; L27-W103 HydrophobicContact CG-CD2 4.17Å; L27-W103 HydrophobicContact CG-CG 4.3Å; L27-W103 HydrophobicContact CG-CZ2 4.24Å; F42-W103 HydrophobicContact CB-CH2 3.54Å; F42-W103 HydrophobicContact CB-CZ2 4.12Å; F42-W103 HydrophobicContact CB-CZ3 4.13Å; L49-W103 HydrophobicContact CD1-CZ3 3.94Å; I81-W103 HydrophobicContact CD1-CB 3.84Å; E99-W103 PolarHBondContact O-N 3.36Å; R100-W103 PolarHBondContact O-N 2.92Å; R100-W103 VanDerWaalsContact O-N 3.16Å; W103-T105 VanDerWaalsContact C-N 3.29Å; W103-T105 PolarHBondContact O-N 3.47Å; W103-A106 PolarHBondContact O-N 2.89Å; W103-L107 WeakPolarHBondContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.38Å; W103-L107 PolarHBondContact O-N 2.84Å
104	V	88.2	Confident	85.1	Confident	17 Å²	17	56 Å²	56	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-44.8	177.8	172.3	0	0	0	0	110.8	T75 I81 R100 A106 L107 E108	T75-V104 HydrophobicContact CG2-CG1 4.38Å; T75-V104 HydrophobicContact CG2-CG2 3.71Å; I81-V104 HydrophobicContact CD1-CG2 3.83Å; I81-V104 HydrophobicContact CG1-CG2 3.89Å; I81-V104 HydrophobicContact CG2-CG2 4.28Å; R100-V104 HydrophobicContact CG-CG2 4.27Å; R100-V104 WeakPolarHBondContact O-CG2 3.4Å; R100-V104 PolarHBondContact O-N 3.08Å; V104-A106 PolarHBondContact O-N 2.88Å; V104-L107 PolarHBondContact O-N 2.7Å; V104-E108 HydrophobicContact CG1-CG 4.36Å; V104-E108 WeakPolarHBondContact O-CB 3.34Å; V104-E108 WeakPolarHBondContact O-CG 3.39Å; V104-E108 PolarHBondContact O-N 2.92Å
105	T	86	Confident	84.3	Confident	68 Å²	68	58.8 Å²	58.8	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-43.2	179.2	-53.9	0	0	0	0	111.5	Q101 R102 W103 L109	Q101-T105 WeakPolarHBondContact O-CB 3.48Å; Q101-T105 PolarHBondContact O-N 2.91Å; Q101-T105 PolarHBondContact O-OG1 3.29Å; R102-T105 PolarHBondContact O-N 3.44Å; W103-T105 VanDerWaalsContact C-N 3.29Å; W103-T105 PolarHBondContact O-N 3.47Å; T105-L109 HydrophobicContact CG2-CD1 4.03Å; T105-L109 WeakPolarHBondContact O-CB 3.39Å; T105-L109 VanDerWaalsContact O-CG 3.28Å; T105-L109 WeakPolarHBondContact O-CG 3.43Å; T105-L109 PolarHBondContact O-N 2.98Å
106	A	86.8	Confident	83.7	Confident	17 Å²	17	63.7 Å²	63.7	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-41.3	176.9	0	0	0	0	0	112	Y23 L44 R102 W103 V104 A110	Y23-A106 HydrophobicContact CD1-CB 3.81Å; Y23-A106 HydrophobicContact CD2-CB 4.47Å; Y23-A106 HydrophobicContact CE1-CB 4.3Å; Y23-A106 HydrophobicContact CG-CB 3.91Å; L44-A106 HydrophobicContact CD2-CB 3.93Å; L44-A106 WeakPolarHBondContact CD2-O 3.45Å; R102-A106 WeakPolarHBondContact O-CB 3.45Å; R102-A106 PolarHBondContact O-N 2.96Å; W103-A106 PolarHBondContact O-N 2.89Å; V104-A106 PolarHBondContact O-N 2.88Å; A106-A110 VanDerWaalsContact O-CB 3.3Å; A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 2.84Å
107	L	89	Confident	82.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-43.4	179.4	-66.4	168.9	0	0	0	112.1	L44 L49 L68 I73 L83 W103 V104 A110 K111	L44-L107 HydrophobicContact CD1-CD2 4.17Å; L44-L107 HydrophobicContact CD2-CD2 4.18Å; L49-L107 HydrophobicContact CB-CD2 4.32Å; L49-L107 HydrophobicContact CD1-CD2 3.93Å; L49-L107 HydrophobicContact CD2-CD2 3.71Å; L49-L107 HydrophobicContact CG-CD2 4.19Å; L68-L107 HydrophobicContact CD1-CD2 3.8Å; L68-L107 HydrophobicContact CD2-CD2 4.08Å; I73-L107 HydrophobicContact CD1-CB 3.61Å; L83-L107 HydrophobicContact CD1-CD1 4.38Å; L83-L107 HydrophobicContact CD2-CD1 4.25Å; W103-L107 WeakPolarHBondContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.38Å; W103-L107 PolarHBondContact O-N 2.84Å; V104-L107 PolarHBondContact O-N 2.7Å; L107-A110 PolarHBondContact O-N 3.42Å; L107-K111 VanDerWaalsContact O-CB 3.24Å; L107-K111 WeakPolarHBondContact O-CB 3.5Å; L107-K111 PolarHBondContact O-N 3.39Å
108	E	87.2	Confident	81.9	Confident	76 Å²	76	65.3 Å²	65.3	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176	-76.8	-65.9	168.5	0	0	112.1	I73 V104 K111 A112	I73-E108 HydrophobicContact CD1-CG 4.17Å; V104-E108 HydrophobicContact CG1-CG 4.36Å; V104-E108 WeakPolarHBondContact O-CB 3.34Å; V104-E108 WeakPolarHBondContact O-CG 3.39Å; V104-E108 PolarHBondContact O-N 2.92Å; E108-K111 PolarHBondContact O-N 3.3Å; E108-A112 WeakPolarHBondContact O-CB 3.31Å; E108-A112 PolarHBondContact O-N 3.33Å
109	L	83.2	Confident	80.5	Confident	119 Å²	119	65.3 Å²	65.3	62%	0.623	32%	0.319	S	S	*	.	H	α-helix	trans	-63.7	-43	174.7	-76.2	169.2	0	0	0	111.9	T105 K113	T105-L109 HydrophobicContact CG2-CD1 4.03Å; T105-L109 WeakPolarHBondContact O-CB 3.39Å; T105-L109 VanDerWaalsContact O-CG 3.28Å; T105-L109 WeakPolarHBondContact O-CG 3.43Å; T105-L109 PolarHBondContact O-N 2.98Å; L109-K113 WeakPolarHBondContact O-CB 3.31Å; L109-K113 PolarHBondContact O-N 2.88Å
110	A	83.1	Confident	78.8	Confident	18 Å²	18	69.3 Å²	69.3	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-68.9	-35.6	177.5	0	0	0	0	0	112.5	L44 L68 A106 L107 K113 A114	L44-A110 HydrophobicContact CD1-CB 3.71Å; L44-A110 HydrophobicContact CD2-CB 3.74Å; L44-A110 HydrophobicContact CG-CB 3.97Å; L68-A110 HydrophobicContact CD1-CB 3.89Å; A106-A110 VanDerWaalsContact O-CB 3.3Å; A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 2.84Å; L107-A110 PolarHBondContact O-N 3.42Å; A110-K113 PolarHBondContact O-N 3Å; A110-A114 VanDerWaalsContact O-CB 3.27Å; A110-A114 WeakPolarHBondContact O-CB 3.18Å; A110-A114 PolarHBondContact O-N 3.21Å
111	K	85.8	Confident	76.8	Confident	36 Å²	36	76.2 Å²	76.2	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-51.3	171.9	170.6	170.7	177.1	-170.4	0	111.4	L68 A71 I73 L107 E108 K113 A114 I115	L68-K111 HydrophobicContact CB-CB 4.17Å; L68-K111 VanDerWaalsContact O-CG 3.23Å; L68-K111 WeakPolarHBondContact O-CG 3.32Å; A71-K111 WeakPolarHBondContact O-CD 3.41Å; A71-K111 WeakPolarHBondContact O-CE 3.41Å; A71-K111 PolarHBondContact O-NZ 3.44Å; I73-K111 HydrophobicContact CD1-CD 4.39Å; L107-K111 VanDerWaalsContact O-CB 3.24Å; L107-K111 WeakPolarHBondContact O-CB 3.5Å; L107-K111 PolarHBondContact O-N 3.39Å; E108-K111 PolarHBondContact O-N 3.3Å; K111-K113 PolarHBondContact O-N 3.23Å; K111-A114 PolarHBondContact O-N 3.09Å; K111-A114 VanDerWaalsContact O-N 3.12Å; K111-I115 HydrophobicContact CG-CD1 3.76Å; K111-I115 HydrophobicContact CG-CG1 4.45Å; K111-I115 WeakPolarHBondContact O-CG1 3.2Å; K111-I115 PolarHBondContact O-N 3.19Å
112	A	81.1	Confident	74.6	Confident	45 Å²	45	73.9 Å²	73.9	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-37.7	177.7	0	0	0	0	0	111.7	E108 R116	E108-A112 WeakPolarHBondContact O-CB 3.31Å; E108-A112 PolarHBondContact O-N 3.33Å; A112-R116 VanDerWaalsContact O-CG 3.29Å; A112-R116 WeakPolarHBondContact O-CG 3.31Å; A112-R116 PolarHBondContact O-N 2.82Å; A112-R116 VanDerWaalsContact O-N 3.08Å
113	K	78.1	Confident	72.2	Confident	91 Å²	91	73.8 Å²	73.8	40%	0.396	38%	0.381	S	S	.	.	H	α-helix	trans	-68.1	-43.3	174	-170.9	174.6	-175.2	169.4	0	112.4	D21 L109 A110 K111 R116 M117	D21-K113 IonicContact OD1-NZ 3.39Å; D21-K113 PolarHBondContact OD1-NZ 3.2Å; D21-K113 IonicContact OD2-NZ 3.32Å; D21-K113 PolarHBondContact OD2-NZ 3.05Å; L109-K113 WeakPolarHBondContact O-CB 3.31Å; L109-K113 PolarHBondContact O-N 2.88Å; A110-K113 PolarHBondContact O-N 3Å; K111-K113 PolarHBondContact O-N 3.23Å; K113-R116 PolarHBondContact O-N 3.47Å; K113-M117 HydrophobicContact CG-SD 4.29Å; K113-M117 WeakPolarHBondContact O-CG 3.49Å; K113-M117 PolarHBondContact O-N 2.87Å
114	A	76.7	Confident	69.8	Low	12 Å²	12	81.5 Å²	81.5	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-63.6	-41	177.8	0	0	0	0	0	112.1	A69 A110 K111 M117 M118	A69-A114 HydrophobicContact CB-CB 3.98Å; A110-A114 VanDerWaalsContact O-CB 3.27Å; A110-A114 WeakPolarHBondContact O-CB 3.18Å; A110-A114 PolarHBondContact O-N 3.21Å; K111-A114 PolarHBondContact O-N 3.09Å; K111-A114 VanDerWaalsContact O-N 3.12Å; A114-M117 PolarHBondContact O-N 3.39Å; A114-M118 PolarHBondContact O-N 3.5Å
115	I	76.8	Confident	67.4	Low	61 Å²	61	84.9 Å²	84.9	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-63.8	-42.7	174.3	-66.6	167.8	0	0	0	110.7	K111 M118 N119	K111-I115 HydrophobicContact CG-CD1 3.76Å; K111-I115 HydrophobicContact CG-CG1 4.45Å; K111-I115 WeakPolarHBondContact O-CG1 3.2Å; K111-I115 PolarHBondContact O-N 3.19Å; I115-M118 PolarHBondContact O-N 3.48Å; I115-N119 WeakPolarHBondContact O-CB 3.43Å; I115-N119 PolarHBondContact O-N 2.93Å; I115-N119 PolarHBondContact O-OD1 2.9Å
116	R	72.1	Confident	65	Low	181 Å²	181	85 Å²	85	68%	0.683	46%	0.462	S	S	*	.	H	α-helix	trans	-64.2	-40.1	175.5	-74	177	-172.8	-150.2	1.8	112.7	A112 K113 M118 N119 D120	A112-R116 VanDerWaalsContact O-CG 3.29Å; A112-R116 WeakPolarHBondContact O-CG 3.31Å; A112-R116 PolarHBondContact O-N 2.82Å; A112-R116 VanDerWaalsContact O-N 3.08Å; K113-R116 PolarHBondContact O-N 3.47Å; R116-M118 VanDerWaalsContact C-N 3.33Å; R116-N119 PolarHBondContact O-N 3.34Å; R116-D120 WeakPolarHBondContact O-CB 3.18Å; R116-D120 PolarHBondContact O-N 2.79Å
117	M	67	Low	62.6	Low	110 Å²	110	91.6 Å²	91.6	54%	0.542	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-31.3	175.7	-70.6	179.5	68.2	0	0	112.7	K113 A114	K113-M117 HydrophobicContact CG-SD 4.29Å; K113-M117 WeakPolarHBondContact O-CG 3.49Å; K113-M117 PolarHBondContact O-N 2.87Å; A114-M117 PolarHBondContact O-N 3.39Å
118	M	62.1	Low	60.1	Low	99 Å²	99	97.9 Å²	97.9	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-68.2	-44	168.5	-89.5	-178.5	74.9	0	0	111.5	A69 A114 I115 R116 Q121 S122	A69-M118 HydrophobicContact CB-SD 3.63Å; A114-M118 PolarHBondContact O-N 3.5Å; I115-M118 PolarHBondContact O-N 3.48Å; R116-M118 VanDerWaalsContact C-N 3.33Å; M118-Q121 PolarHBondContact O-N 3.15Å; M118-S122 PolarHBondContact O-N 3.33Å
119	N	52.1	Low	57.6	Low	92 Å²	92	101 Å²	101	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-71.1	-35.3	-177.4	-76.3	17.7	0	0	0	113.4	I115 R116 Q121 S122 D123	I115-N119 WeakPolarHBondContact O-CB 3.43Å; I115-N119 PolarHBondContact O-N 2.93Å; I115-N119 PolarHBondContact O-OD1 2.9Å; R116-N119 PolarHBondContact O-N 3.34Å; N119-Q121 PolarHBondContact O-N 3.42Å; N119-S122 VanDerWaalsContact CA-OG 3.25Å; N119-S122 WeakPolarHBondContact CA-OG 3.49Å; N119-S122 PolarHBondContact O-N 3.5Å; N119-S122 PolarHBondContact O-OG 2.96Å; N119-D123 PolarHBondContact O-N 2.95Å
120	D	47.6	Very low	55.6	Low	134 Å²	134	100.1 Å²	100.1	72%	0.717	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.1	175.3	-79.6	-12	0	0	0	112.2	R116	R116-D120 WeakPolarHBondContact O-CB 3.18Å; R116-D120 PolarHBondContact O-N 2.79Å
121	Q	46.3	Very low	53.8	Low	171 Å²	171	103.1 Å²	103.1	80%	0.799	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-12.2	169.4	-73.7	-178.4	0.8	0	0	113	M118 N119	M118-Q121 PolarHBondContact O-N 3.15Å; N119-Q121 PolarHBondContact O-N 3.42Å
122	S	40.8	Very low	51.8	Low	45 Å²	45	106.2 Å²	106.2	32%	0.315	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	-1.8	-177	67.7	0	0	0	0	114.9	M118 N119 D124 S125	M118-S122 PolarHBondContact O-N 3.33Å; N119-S122 VanDerWaalsContact CA-OG 3.25Å; N119-S122 WeakPolarHBondContact CA-OG 3.49Å; N119-S122 PolarHBondContact O-N 3.5Å; N119-S122 PolarHBondContact O-OG 2.96Å; S122-D124 PolarHBondContact O-N 2.8Å; S122-D124 VanDerWaalsContact O-N 3.17Å; S122-S125 CarbonylContact O-C 3.31Å; S122-S125 VanDerWaalsContact O-C 3.31Å; S122-S125 PolarHBondContact O-N 3.13Å
123	D	36.1	Very low	50	Low	156 Å²	156	113.2 Å²	113.2	83%	0.834	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	1.2	175.5	-107	5	0	0	0	113.9	N119	N119-D123 PolarHBondContact O-N 2.95Å
124	D	39.3	Very low	48.8	Very low	163 Å²	163	111 Å²	111	87%	0.872	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	4.1	166	-166.5	40.9	0	0	0	113.6	S122	S122-D124 PolarHBondContact O-N 2.8Å; S122-D124 VanDerWaalsContact O-N 3.17Å
125	S	38.8	Very low	47.6	Very low	88 Å²	88	112.3 Å²	112.3	62%	0.615	61%	0.605	S	S	*	*	S	Bend	trans	-164	96.4	179	171	0	0	0	0	110.4	S122 D127	S122-S125 CarbonylContact O-C 3.31Å; S122-S125 VanDerWaalsContact O-C 3.31Å; S122-S125 PolarHBondContact O-N 3.13Å; S125-D127 PolarHBondContact O-N 2.97Å
126	G	34.9	Very low	46.5	Very low	71 Å²	71	118.7 Å²	118.7	73%	0.732	63%	0.625	S	S	*	*			trans	-56.1	125.1	171.8	0	0	0	0	0	112.7
127	D	36.4	Very low	45.9	Very low	156 Å²	156	113.3 Å²	113.3	83%	0.834	62%	0.615	S	S	*	*			trans	45.6	113.8	156.3	-70.6	-19.1	0	0	0	119.5	S125	S125-D127 PolarHBondContact O-N 2.97Å
128	E	37.4	Very low	45.7	Very low	131 Å²	131	111.6 Å²	111.6	61%	0.612	61%	0.606	S	S	*	*				-154.5	139.7	119.9	-72.7	-151.2	-179.6	0	0	111.4	R221	E128-R221 IonicContact OE1-CZ 2.77Å; E128-R221 IonicContact OE1-NH2 2.87Å; E128-R221 PolarHBondContact OE1-NH2 2.82Å
129	E	34.3	Very low	45.9	Very low	143 Å²	143	110.6 Å²	110.6	67%	0.668	60%	0.602	S	S	*	*			trans	-99.5	171.4	160.1	-119.5	-150.8	179.9	0	0	108.9
130	P	41.5	Very low	46.7	Very low	99 Å²	99	111.7 Å²	111.7	64%	0.643	60%	0.604	S	S	*	*			trans	-77.9	151.2	-141.5	33.4	-37.3	0	0	0	116.3	T132	P130-T132 PolarHBondContact O-N 3.41Å; P130-T132 VanDerWaalsContact O-N 3.15Å
131	T	45.5	Very low	48	Very low	82 Å²	82	106.7 Å²	106.7	50%	0.503	58%	0.584	S	S	.	*			trans	-46.7	107	-178.8	53.7	0	0	0	0	113.8	D135	T131-D135 WeakPolarHBondContact CA-OD2 3.35Å; T131-D135 WeakPolarHBondContact CG2-OD2 3.29Å
132	T	43	Very low	49.1	Very low	101 Å²	101	100 Å²	100	62%	0.62	56%	0.555	S	S	*	*			trans	-102	172.5	165.3	55.6	0	0	0	0	109.5	P130 S134 D135	P130-T132 PolarHBondContact O-N 3.41Å; P130-T132 VanDerWaalsContact O-N 3.15Å; T132-S134 PolarHBondContact O-N 2.96Å; T132-S134 WeakPolarHBondContact OG1-CB 3.36Å; T132-D135 PolarHBondContact O-N 3.12Å
133	Q	43.8	Very low	50.7	Low	191 Å²	191	103.2 Å²	103.2	89%	0.893	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.3	-13	170.2	-82.3	174.2	-25.1	0	0	114.9
134	S	51.7	Low	52.9	Low	46 Å²	46	103.2 Å²	103.2	32%	0.322	56%	0.561	S	S	.	*	H	α-helix	trans	-51.6	-49.7	170.9	-156.3	0	0	0	0	113.3	T132 R136 S137 E138	T132-S134 PolarHBondContact O-N 2.96Å; T132-S134 WeakPolarHBondContact OG1-CB 3.36Å; S134-R136 PolarHBondContact O-N 2.92Å; S134-S137 CarbonylContact O-C 3.42Å; S134-S137 WeakPolarHBondContact O-CA 3.14Å; S134-S137 WeakPolarHBondContact O-CB 3.2Å; S134-S137 PolarHBondContact O-N 3.18Å; S134-S137 PolarHBondContact O-OG 3.27Å; S134-E138 WeakPolarHBondContact O-CG 3.29Å; S134-E138 PolarHBondContact O-N 3.23Å; S134-E138 PolarHBondContact OG-OE1 3Å
135	D	51.8	Low	54.8	Low	39 Å²	39	99.7 Å²	99.7	21%	0.209	54%	0.541	C	S	.	.	H	α-helix	trans	-66.6	-36.3	-169.2	-67.8	-38.6	0	0	0	113.5	T131 T132 S137 E138 I139	T131-D135 WeakPolarHBondContact CA-OD2 3.35Å; T131-D135 WeakPolarHBondContact CG2-OD2 3.29Å; T132-D135 PolarHBondContact O-N 3.12Å; D135-S137 VanDerWaalsContact C-N 3.3Å; D135-S137 PolarHBondContact O-N 2.85Å; D135-E138 PolarHBondContact O-N 3.01Å; D135-I139 WeakPolarHBondContact O-CB 3.39Å; D135-I139 WeakPolarHBondContact O-CG1 3.29Å; D135-I139 PolarHBondContact O-N 3.12Å
136	R	53.9	Low	56.7	Low	194 Å²	194	97.3 Å²	97.3	73%	0.732	52%	0.521	S	S	*	.	H	α-helix	trans	-68.1	-34.4	175.9	-166.7	175.3	176.9	170.9	-0.6	111.4	S134 Q140	S134-R136 PolarHBondContact O-N 2.92Å; R136-Q140 WeakPolarHBondContact O-CB 3.43Å; R136-Q140 WeakPolarHBondContact O-CG 3.44Å; R136-Q140 PolarHBondContact O-N 2.85Å; R136-Q140 VanDerWaalsContact O-N 3.17Å
137	S	59.7	Low	59	Low	69 Å²	69	97.5 Å²	97.5	48%	0.483	51%	0.508	S	S	.	.	H	α-helix	trans	-73.9	-34	175.3	81.5	0	0	0	0	112	S134 D135 Q140 G141	S134-S137 CarbonylContact O-C 3.42Å; S134-S137 WeakPolarHBondContact O-CA 3.14Å; S134-S137 WeakPolarHBondContact O-CB 3.2Å; S134-S137 PolarHBondContact O-N 3.18Å; S134-S137 PolarHBondContact O-OG 3.27Å; D135-S137 VanDerWaalsContact C-N 3.3Å; D135-S137 PolarHBondContact O-N 2.85Å; S137-Q140 PolarHBondContact O-N 2.79Å; S137-G141 PolarHBondContact O-N 3.28Å
138	E	63.8	Low	61.2	Low	73 Å²	73	93 Å²	93	34%	0.341	49%	0.488	S	S	.	.	H	α-helix	trans	-71.2	-43.4	175.3	-73.9	-178.9	-145.7	0	0	112	S134 D135 Q140 G141 T142 R221	S134-E138 WeakPolarHBondContact O-CG 3.29Å; S134-E138 PolarHBondContact O-N 3.23Å; S134-E138 PolarHBondContact OG-OE1 3Å; D135-E138 PolarHBondContact O-N 3.01Å; E138-Q140 VanDerWaalsContact C-N 3.3Å; E138-Q140 PolarHBondContact O-N 2.93Å; E138-G141 PolarHBondContact O-N 3.43Å; E138-T142 WeakPolarHBondContact O-CB 3.31Å; E138-T142 WeakPolarHBondContact O-CG2 3.43Å; E138-T142 PolarHBondContact O-N 3.44Å; E138-T142 PolarHBondContact O-OG1 3.01Å; E138-R221 IonicContact OE2-NH1 3.54Å; E138-R221 IonicContact OE2-NH2 3.82Å
139	I	66.3	Low	63.3	Low	79 Å²	79	89.8 Å²	89.8	41%	0.405	47%	0.473	S	S	.	.	H	α-helix	trans	-62	-39.9	173.7	-67.5	165.2	0	0	0	110.4	D135 T142 L143 L222	D135-I139 WeakPolarHBondContact O-CB 3.39Å; D135-I139 WeakPolarHBondContact O-CG1 3.29Å; D135-I139 PolarHBondContact O-N 3.12Å; I139-T142 WeakPolarHBondContact CA-OG1 3.19Å; I139-T142 PolarHBondContact O-OG1 3.26Å; I139-L143 WeakPolarHBondContact O-CB 3.37Å; I139-L143 PolarHBondContact O-N 2.81Å; I139-L143 VanDerWaalsContact O-N 3.09Å; I139-L222 HydrophobicContact CD1-CD2 4.46Å; I139-L222 HydrophobicContact CG1-CD2 4.46Å; I139-L222 HydrophobicContact CG2-CD2 4.44Å
140	Q	68.1	Low	65.5	Low	115 Å²	115	87.6 Å²	87.6	54%	0.537	47%	0.465	S	S	.	.	H	α-helix	trans	-69.3	-37.3	174.2	-77.3	-177.8	-11.6	0	0	113	R136 S137 E138 K144	R136-Q140 WeakPolarHBondContact O-CB 3.43Å; R136-Q140 WeakPolarHBondContact O-CG 3.44Å; R136-Q140 PolarHBondContact O-N 2.85Å; R136-Q140 VanDerWaalsContact O-N 3.17Å; S137-Q140 PolarHBondContact O-N 2.79Å; E138-Q140 VanDerWaalsContact C-N 3.3Å; E138-Q140 PolarHBondContact O-N 2.93Å; Q140-K144 WeakPolarHBondContact O-CG 3.46Å; Q140-K144 PolarHBondContact O-N 3.04Å
141	G	74.2	Confident	67.5	Low	29 Å²	29	87.4 Å²	87.4	30%	0.299	46%	0.458	S	S	.	.	H	α-helix	trans	-65	-43.1	176.5	0	0	0	0	0	112.2	S137 E138 K144 I145	S137-G141 PolarHBondContact O-N 3.28Å; E138-G141 PolarHBondContact O-N 3.43Å; G141-K144 WeakPolarHBondContact O-CB 3.29Å; G141-K144 PolarHBondContact O-N 2.85Å; G141-I145 WeakPolarHBondContact O-CG1 3.44Å; G141-I145 PolarHBondContact O-N 2.92Å; G141-I145 VanDerWaalsContact O-N 3.17Å
142	T	70.3	Confident	69.3	Low	30 Å²	30	86.5 Å²	86.5	18%	0.184	45%	0.451	C	S	.	.	H	α-helix	trans	-69.3	-38	179.2	52.4	0	0	0	0	112.6	E138 I139 K144 I145 L146 H218	E138-T142 WeakPolarHBondContact O-CB 3.31Å; E138-T142 WeakPolarHBondContact O-CG2 3.43Å; E138-T142 PolarHBondContact O-N 3.44Å; E138-T142 PolarHBondContact O-OG1 3.01Å; I139-T142 WeakPolarHBondContact CA-OG1 3.19Å; I139-T142 PolarHBondContact O-OG1 3.26Å; T142-K144 VanDerWaalsContact C-N 3.3Å; T142-K144 PolarHBondContact O-N 2.79Å; T142-I145 PolarHBondContact O-N 2.7Å; T142-I145 VanDerWaalsContact O-N 3.14Å; T142-L146 PolarHBondContact O-N 3.19Å; T142-H218 WeakPolarHBondContact CB-CE1 3.45Å; T142-H218 WeakPolarHBondContact CG2-CE1 3.41Å
143	L	74.6	Confident	71.2	Confident	113 Å²	113	82.9 Å²	82.9	59%	0.592	43%	0.427	S	S	*	.	H	α-helix	trans	-62	-37.7	172.8	-161.5	126.1	0	0	0	111.9	I139 L146 V147	I139-L143 WeakPolarHBondContact O-CB 3.37Å; I139-L143 PolarHBondContact O-N 2.81Å; I139-L143 VanDerWaalsContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 2.89Å; L143-V147 VanDerWaalsContact O-CG2 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 3.43Å; L143-V147 PolarHBondContact O-N 2.89Å
144	K	80.9	Confident	72.8	Confident	156 Å²	156	76.8 Å²	76.8	68%	0.678	41%	0.406	S	S	*	.	H	α-helix	trans	-63.6	-38.2	172.9	-73.9	175.1	180	177.6	0	112.7	Q140 G141 T142 V147 S148	Q140-K144 WeakPolarHBondContact O-CG 3.46Å; Q140-K144 PolarHBondContact O-N 3.04Å; G141-K144 WeakPolarHBondContact O-CB 3.29Å; G141-K144 PolarHBondContact O-N 2.85Å; T142-K144 VanDerWaalsContact C-N 3.3Å; T142-K144 PolarHBondContact O-N 2.79Å; K144-V147 PolarHBondContact O-N 2.87Å; K144-S148 PolarHBondContact O-N 3.06Å
145	I	80.9	Confident	74.2	Confident	88 Å²	88	78.4 Å²	78.4	45%	0.451	41%	0.414	S	S	.	.	H	α-helix	trans	-68.3	-43	178.5	-62.3	166.3	0	0	0	110.6	G141 T142 V147 S148 K149 L214	G141-I145 WeakPolarHBondContact O-CG1 3.44Å; G141-I145 PolarHBondContact O-N 2.92Å; G141-I145 VanDerWaalsContact O-N 3.17Å; T142-I145 PolarHBondContact O-N 2.7Å; T142-I145 VanDerWaalsContact O-N 3.14Å; I145-V147 VanDerWaalsContact C-N 3.35Å; I145-V147 PolarHBondContact O-N 3.4Å; I145-S148 PolarHBondContact O-N 2.73Å; I145-K149 WeakPolarHBondContact O-CG 2.85Å; I145-K149 PolarHBondContact O-N 2.81Å; I145-L214 HydrophobicContact CG2-CD2 3.72Å
146	L	77.9	Confident	75.7	Confident	38 Å²	38	77.6 Å²	77.6	20%	0.199	41%	0.411	C	S	.	.	H	α-helix	trans	-61.7	-41.9	175.8	-80	168.3	0	0	0	112.2	T142 L143 K149 L150 F211 L214 A215 H218	T142-L146 PolarHBondContact O-N 3.19Å; L143-L146 PolarHBondContact O-N 2.89Å; L146-K149 PolarHBondContact O-N 3.5Å; L146-L150 PolarHBondContact O-N 3.03Å; L146-F211 HydrophobicContact CD2-CD2 4.28Å; L146-F211 HydrophobicContact CD2-CE2 3.94Å; L146-F211 HydrophobicContact CD2-CZ 4.49Å; L146-L214 HydrophobicContact CD2-CB 4.3Å; L146-L214 HydrophobicContact CD2-CD2 3.81Å; L146-L214 HydrophobicContact CD2-CG 3.89Å; L146-L214 HydrophobicContact CG-CD2 4.17Å; L146-L214 HydrophobicContact CG-CG 4.41Å; L146-A215 HydrophobicContact CD2-CB 4.26Å; L146-H218 HydrophobicContact CD1-CB 4.33Å
147	V	82.4	Confident	76.8	Confident	75 Å²	75	72.2 Å²	72.2	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-46	174.5	170.6	0	0	0	0	110.9	L143 K144 I145 K149 L150 D151	L143-V147 VanDerWaalsContact O-CG2 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 3.43Å; L143-V147 PolarHBondContact O-N 2.89Å; K144-V147 PolarHBondContact O-N 2.87Å; I145-V147 VanDerWaalsContact C-N 3.35Å; I145-V147 PolarHBondContact O-N 3.4Å; V147-K149 VanDerWaalsContact C-N 3.3Å; V147-K149 PolarHBondContact O-N 2.87Å; V147-L150 WeakPolarHBondContact O-CB 3.4Å; V147-L150 PolarHBondContact O-N 3.02Å; V147-L150 VanDerWaalsContact O-N 3.13Å; V147-D151 PolarHBondContact O-N 2.86Å
148	S	83.1	Confident	77.7	Confident	62 Å²	62	72.8 Å²	72.8	43%	0.434	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-36	176.4	-178.8	0	0	0	0	113.1	K144 I145 D151 D152	K144-S148 PolarHBondContact O-N 3.06Å; I145-S148 PolarHBondContact O-N 2.73Å; S148-D151 PolarHBondContact O-N 2.88Å; S148-D152 PolarHBondContact O-N 3.2Å; S148-D152 VanDerWaalsContact O-N 3.1Å
149	K	81.1	Confident	78.5	Confident	64 Å²	64	72.6 Å²	72.6	28%	0.278	40%	0.395	S	S	.	.	H	α-helix	trans	-73.3	-28.6	176.9	-73	-73.6	159.6	-150.3	0	112.8	I145 L146 V147 D151 D152 L153 F211 L214	I145-K149 WeakPolarHBondContact O-CG 2.85Å; I145-K149 PolarHBondContact O-N 2.81Å; L146-K149 PolarHBondContact O-N 3.5Å; V147-K149 VanDerWaalsContact C-N 3.3Å; V147-K149 PolarHBondContact O-N 2.87Å; K149-D151 VanDerWaalsContact C-N 3.34Å; K149-D152 IonicContact NZ-OD2 2.57Å; K149-D152 PolarHBondContact NZ-OD2 3.49Å; K149-D152 PolarHBondContact O-N 2.88Å; K149-L153 PolarHBondContact O-N 3.13Å; K149-L153 VanDerWaalsContact O-N 3.12Å; K149-F211 HydrophobicContact CB-CD2 3.88Å; K149-L214 HydrophobicContact CG-CD2 4.21Å
150	L	81.8	Confident	79.2	Confident	97 Å²	97	70.1 Å²	70.1	51%	0.508	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-37.5	170.6	-167.3	68.9	0	0	0	111.3	L146 V147 L153 S154 F211	L146-L150 PolarHBondContact O-N 3.03Å; V147-L150 WeakPolarHBondContact O-CB 3.4Å; V147-L150 PolarHBondContact O-N 3.02Å; V147-L150 VanDerWaalsContact O-N 3.13Å; L150-L153 WeakPolarHBondContact O-CB 3.37Å; L150-L153 PolarHBondContact O-N 2.89Å; L150-S154 PolarHBondContact O-N 2.96Å; L150-F211 HydrophobicContact CB-CE2 4.36Å; L150-F211 HydrophobicContact CD1-CE2 4.37Å; L150-F211 HydrophobicContact CD1-CZ 4.38Å
151	D	83.2	Confident	79.4	Confident	94 Å²	94	67.6 Å²	67.6	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-66.7	-39.9	174.4	-66.2	-26.8	0	0	0	112.1	V147 S148 K149 L153 S154 T155	V147-D151 PolarHBondContact O-N 2.86Å; S148-D151 PolarHBondContact O-N 2.88Å; K149-D151 VanDerWaalsContact C-N 3.34Å; D151-L153 VanDerWaalsContact C-N 3.29Å; D151-L153 PolarHBondContact O-N 3.36Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-T155 WeakPolarHBondContact O-CB 3.41Å; D151-T155 PolarHBondContact O-N 2.86Å; D151-T155 PolarHBondContact O-OG1 2.89Å
152	D	83	Confident	79.7	Confident	64 Å²	64	73 Å²	73	34%	0.342	40%	0.397	S	S	.	.	H	α-helix	trans	-57.4	-43.8	172.3	-72.5	-17.8	0	0	0	110.8	S148 K149 T155 C156	S148-D152 PolarHBondContact O-N 3.2Å; S148-D152 VanDerWaalsContact O-N 3.1Å; K149-D152 IonicContact NZ-OD2 2.57Å; K149-D152 PolarHBondContact NZ-OD2 3.49Å; K149-D152 PolarHBondContact O-N 2.88Å; D152-T155 PolarHBondContact O-N 2.91Å; D152-C156 PolarHBondContact O-N 3.36Å; D152-C156 PolarHBondContact O-SG 2.88Å
153	L	82.4	Confident	80.4	Confident	24 Å²	24	73.9 Å²	73.9	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-44.3	177	-83.7	175	0	0	0	112.9	K149 L150 D151 T155 C156 N157 A207 C208 F211	K149-L153 PolarHBondContact O-N 3.13Å; K149-L153 VanDerWaalsContact O-N 3.12Å; L150-L153 WeakPolarHBondContact O-CB 3.37Å; L150-L153 PolarHBondContact O-N 2.89Å; D151-L153 VanDerWaalsContact C-N 3.29Å; D151-L153 PolarHBondContact O-N 3.36Å; L153-T155 VanDerWaalsContact C-N 3.27Å; L153-T155 PolarHBondContact O-N 3.26Å; L153-C156 PolarHBondContact O-N 2.85Å; L153-N157 WeakPolarHBondContact O-CB 3.44Å; L153-N157 PolarHBondContact O-N 2.83Å; L153-A207 HydrophobicContact CD2-CB 3.71Å; L153-A207 HydrophobicContact CG-CB 4.26Å; L153-C208 HydrophobicContact CD2-CB 4.2Å; L153-C208 WeakPolarHBondContact CD2-SG 3.14Å; L153-F211 HydrophobicContact CD1-CB 3.72Å; L153-F211 HydrophobicContact CD1-CD1 4.19Å; L153-F211 HydrophobicContact CD1-CD2 4.22Å; L153-F211 HydrophobicContact CD1-CG 3.78Å
154	S	77.4	Confident	80.4	Confident	64 Å²	64	69.4 Å²	69.4	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-42.8	175.1	-168.9	0	0	0	0	110.9	L150 D151 N157 D158	L150-S154 PolarHBondContact O-N 2.96Å; D151-S154 PolarHBondContact O-N 3.17Å; S154-N157 WeakPolarHBondContact O-CB 3.32Å; S154-N157 PolarHBondContact O-N 3.45Å; S154-D158 PolarHBondContact O-N 2.84Å
155	T	82.3	Confident	80.2	Confident	80 Å²	80	64.1 Å²	64.1	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-42.5	178.4	-55.4	0	0	0	0	111.7	D151 D152 L153 N157 D158 L159	D151-T155 WeakPolarHBondContact O-CB 3.41Å; D151-T155 PolarHBondContact O-N 2.86Å; D151-T155 PolarHBondContact O-OG1 2.89Å; D152-T155 PolarHBondContact O-N 2.91Å; L153-T155 VanDerWaalsContact C-N 3.27Å; L153-T155 PolarHBondContact O-N 3.26Å; T155-N157 VanDerWaalsContact C-N 3.35Å; T155-D158 PolarHBondContact O-N 2.83Å; T155-L159 HydrophobicContact CG2-CD1 4.34Å; T155-L159 WeakPolarHBondContact O-CG 3.2Å; T155-L159 PolarHBondContact O-N 2.87Å
156	C	82.1	Confident	79.9	Confident	22 Å²	22	60.8 Å²	60.8	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-39.8	175.8	-68.4	0	0	0	0	112.1	D152 L153 L159 I160 M204	D152-C156 PolarHBondContact O-N 3.36Å; D152-C156 PolarHBondContact O-SG 2.88Å; L153-C156 PolarHBondContact O-N 2.85Å; C156-L159 PolarHBondContact O-N 2.99Å; C156-I160 WeakPolarHBondContact O-CG1 3.41Å; C156-I160 PolarHBondContact O-N 2.8Å; C156-M204 HydrophobicContact CB-CB 3.88Å; C156-M204 HydrophobicContact CB-CG 4.15Å
157	N	77.6	Confident	80.1	Confident	81 Å²	81	60.5 Å²	60.5	43%	0.433	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-45.3	176.4	-175.4	57	0	0	0	111.7	L153 S154 T155 L159 I160 A161 M204	L153-N157 WeakPolarHBondContact O-CB 3.44Å; L153-N157 PolarHBondContact O-N 2.83Å; S154-N157 WeakPolarHBondContact O-CB 3.32Å; S154-N157 PolarHBondContact O-N 3.45Å; T155-N157 VanDerWaalsContact C-N 3.35Å; N157-L159 VanDerWaalsContact C-N 3.33Å; N157-L159 PolarHBondContact O-N 3.25Å; N157-I160 PolarHBondContact O-N 2.84Å; N157-A161 PolarHBondContact O-N 2.99Å; N157-M204 HydrophobicContact CB-CE 3.95Å
158	D	77.6	Confident	79.7	Confident	81 Å²	81	63.4 Å²	63.4	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-39.5	176.7	-73	-15.6	0	0	0	112.2	S154 T155 A161 K162	S154-D158 PolarHBondContact O-N 2.84Å; T155-D158 PolarHBondContact O-N 2.83Å; D158-A161 PolarHBondContact O-N 3.34Å; D158-K162 WeakPolarHBondContact O-CB 3.32Å; D158-K162 WeakPolarHBondContact O-CG 3.26Å; D158-K162 PolarHBondContact O-N 2.81Å
159	L	81.1	Confident	79.5	Confident	68 Å²	68	67.9 Å²	67.9	36%	0.356	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-41.7	175.9	-75	170	0	0	0	111.7	T155 C156 N157 K162 H163 T200	T155-L159 HydrophobicContact CG2-CD1 4.34Å; T155-L159 WeakPolarHBondContact O-CG 3.2Å; T155-L159 PolarHBondContact O-N 2.87Å; C156-L159 PolarHBondContact O-N 2.99Å; N157-L159 VanDerWaalsContact C-N 3.33Å; N157-L159 PolarHBondContact O-N 3.25Å; L159-K162 PolarHBondContact O-N 2.89Å; L159-H163 WeakPolarHBondContact O-CB 3.29Å; L159-H163 PolarHBondContact O-CD2 3.33Å; L159-H163 PolarHBondContact O-N 2.89Å; L159-T200 HydrophobicContact CB-CG2 4.34Å
160	I	81.3	Confident	79.4	Confident	28 Å²	28	65 Å²	65	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-42.9	175.6	-77.8	166.8	0	0	0	111.1	C156 N157 K162 H163 G164 F197 M204	C156-I160 WeakPolarHBondContact O-CG1 3.41Å; C156-I160 PolarHBondContact O-N 2.8Å; N157-I160 PolarHBondContact O-N 2.84Å; I160-K162 VanDerWaalsContact C-N 3.34Å; I160-K162 PolarHBondContact O-N 2.84Å; I160-H163 PolarHBondContact O-N 2.9Å; I160-G164 WeakPolarHBondContact O-CA 3.48Å; I160-G164 PolarHBondContact O-N 2.87Å; I160-F197 HydrophobicContact CG2-CE2 3.84Å; I160-F197 HydrophobicContact CG2-CZ 4.34Å; I160-M204 HydrophobicContact CD1-CB 3.27Å; I160-M204 HydrophobicContact CD1-CG 3.81Å; I160-M204 HydrophobicContact CD1-SD 3.26Å; I160-M204 WeakPolarHBondContact CD1-SD 3.1Å
161	A	72.8	Confident	79	Confident	62 Å²	62	64.2 Å²	64.2	51%	0.512	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-45.5	175	0	0	0	0	0	111.3	N157 D158 A165	N157-A161 PolarHBondContact O-N 2.99Å; D158-A161 PolarHBondContact O-N 3.34Å; A161-A165 VanDerWaalsContact O-CB 3.3Å; A161-A165 WeakPolarHBondContact O-CB 3.45Å; A161-A165 PolarHBondContact O-N 2.8Å
162	K	79.2	Confident	78.4	Confident	142 Å²	142	62.9 Å²	62.9	62%	0.617	35%	0.347	S	S	*	.	H	α-helix	trans	-65.6	-47.8	178.5	-74.4	173.1	-174.4	170.2	0	112.8	D158 L159 I160 A166	D158-K162 WeakPolarHBondContact O-CB 3.32Å; D158-K162 WeakPolarHBondContact O-CG 3.26Å; D158-K162 PolarHBondContact O-N 2.81Å; L159-K162 PolarHBondContact O-N 2.89Å; I160-K162 VanDerWaalsContact C-N 3.34Å; I160-K162 PolarHBondContact O-N 2.84Å; K162-A166 WeakPolarHBondContact O-CB 3.31Å; K162-A166 PolarHBondContact O-N 2.84Å
163	H	85.1	Confident	78	Confident	49 Å²	49	65.4 Å²	65.4	23%	0.227	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-35.5	179.6	-68.1	-50.3	0	0	0	112.1	L159 I160 A166 L167 F197 T200	L159-H163 WeakPolarHBondContact O-CB 3.29Å; L159-H163 PolarHBondContact O-CD2 3.33Å; L159-H163 PolarHBondContact O-N 2.89Å; I160-H163 PolarHBondContact O-N 2.9Å; H163-A166 PolarHBondContact O-N 2.77Å; H163-L167 WeakPolarHBondContact O-CB 3.49Å; H163-L167 PolarHBondContact O-N 3.23Å; H163-F197 HydrophobicContact CB-CB 4.3Å; H163-F197 HydrophobicContact CB-CD2 4.04Å; H163-T200 WeakPolarHBondContact CD2-CG2 3.39Å; H163-T200 PolarHBondContact CD2-OG1 3.2Å
164	G	75.9	Confident	77.4	Confident	18 Å²	18	67.1 Å²	67.1	19%	0.186	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-48	174.1	0	0	0	0	0	111.4	I160 A166 L167 Q168 F197	I160-G164 WeakPolarHBondContact O-CA 3.48Å; I160-G164 PolarHBondContact O-N 2.87Å; G164-A166 VanDerWaalsContact C-N 3.32Å; G164-A166 PolarHBondContact O-N 2.96Å; G164-L167 PolarHBondContact O-N 3.39Å; G164-Q168 WeakPolarHBondContact O-CB 3.29Å; G164-Q168 PolarHBondContact O-N 2.91Å; G164-F197 VanDerWaalsContact CA-CE2 3.49Å; G164-F197 VanDerWaalsContact N-CD2 3.35Å
165	A	75	Confident	76.7	Confident	45 Å²	45	71.2 Å²	71.2	37%	0.372	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-36	175.1	0	0	0	0	0	112.7	A161 R169	A161-A165 VanDerWaalsContact O-CB 3.3Å; A161-A165 WeakPolarHBondContact O-CB 3.45Å; A161-A165 PolarHBondContact O-N 2.8Å; A165-R169 WeakPolarHBondContact O-CG 3.38Å; A165-R169 PolarHBondContact O-N 3.34Å; A165-R169 VanDerWaalsContact O-N 3.09Å; A165-R169 PolarHBondContact O-NE 2.94Å
166	A	76.6	Confident	75.9	Confident	18 Å²	18	70.5 Å²	70.5	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-41.1	174.9	0	0	0	0	0	112.4	K162 H163 G164 S170	K162-A166 WeakPolarHBondContact O-CB 3.31Å; K162-A166 PolarHBondContact O-N 2.84Å; H163-A166 PolarHBondContact O-N 2.77Å; G164-A166 VanDerWaalsContact C-N 3.32Å; G164-A166 PolarHBondContact O-N 2.96Å; A166-S170 PolarHBondContact O-N 2.87Å; A166-S170 PolarHBondContact O-OG 2.94Å
167	L	81.3	Confident	75	Confident	32 Å²	32	73.4 Å²	73.4	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-46.4	174.9	178.6	58.3	0	0	0	111	H163 G164 R169 S170 L171 V190 R193 A194 F197	H163-L167 WeakPolarHBondContact O-CB 3.49Å; H163-L167 PolarHBondContact O-N 3.23Å; G164-L167 PolarHBondContact O-N 3.39Å; L167-R169 PolarHBondContact O-N 3.27Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 2.91Å; L167-S170 VanDerWaalsContact O-N 3.1Å; L167-L171 HydrophobicContact CD1-CD1 4.45Å; L167-L171 PolarHBondContact O-N 3.02Å; L167-V190 HydrophobicContact CD1-CG1 4.28Å; L167-R193 HydrophobicContact CD1-CB 4.25Å; L167-A194 HydrophobicContact CD1-CB 3.88Å; L167-A194 HydrophobicContact CD2-CB 4.35Å; L167-F197 HydrophobicContact CD2-CB 4.07Å; L167-F197 HydrophobicContact CD2-CD1 4.14Å; L167-F197 HydrophobicContact CD2-CG 4.15Å
168	Q	74.9	Confident	74.1	Confident	137 Å²	137	79.5 Å²	79.5	64%	0.64	42%	0.423	S	S	*	.	H	α-helix	trans	-59.7	-45.1	178.8	-170.8	175.3	5.7	0	0	111.9	G164 S170 L171 S172	G164-Q168 WeakPolarHBondContact O-CB 3.29Å; G164-Q168 PolarHBondContact O-N 2.91Å; Q168-S170 VanDerWaalsContact C-N 3.29Å; Q168-S170 PolarHBondContact O-N 3.07Å; Q168-L171 PolarHBondContact O-N 2.94Å; Q168-S172 PolarHBondContact O-N 3.09Å; Q168-S172 PolarHBondContact O-OG 3.41Å
169	R	77.9	Confident	73.1	Confident	155 Å²	155	81.1 Å²	81.1	59%	0.585	44%	0.435	S	S	*	.	H	α-helix	trans	-57.3	-42	173.7	-77.2	-178.6	-70.7	136.4	-9.2	112.5	A165 L167 L171 S172 E173	A165-R169 WeakPolarHBondContact O-CG 3.38Å; A165-R169 PolarHBondContact O-N 3.34Å; A165-R169 VanDerWaalsContact O-N 3.09Å; A165-R169 PolarHBondContact O-NE 2.94Å; L167-R169 PolarHBondContact O-N 3.27Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-S172 PolarHBondContact O-N 3.37Å; R169-E173 VanDerWaalsContact O-CG 3.31Å; R169-E173 WeakPolarHBondContact O-CG 3.44Å; R169-E173 PolarHBondContact O-N 2.85Å
170	S	78.9	Confident	72	Confident	5 Å²	5	83.3 Å²	83.3	4%	0.035	45%	0.454	C	S	.	.	H	α-helix	trans	-68.9	-34.9	179.6	-47.2	0	0	0	0	112.5	A166 L167 Q168 L174 R193	A166-S170 PolarHBondContact O-N 2.87Å; A166-S170 PolarHBondContact O-OG 2.94Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 2.91Å; L167-S170 VanDerWaalsContact O-N 3.1Å; Q168-S170 VanDerWaalsContact C-N 3.29Å; Q168-S170 PolarHBondContact O-N 3.07Å; S170-L174 PolarHBondContact O-N 3.25Å; S170-R193 WeakPolarHBondContact OG-CD 3.32Å; S170-R193 PolarHBondContact OG-NH1 2.74Å
171	L	73.1	Confident	70.8	Confident	79 Å²	79	89.9 Å²	89.9	41%	0.414	49%	0.488	S	S	.	.	H	α-helix	trans	-68.1	-45.3	175.1	-132.7	87	0	0	0	110.8	L167 Q168 R169 E173 L174 E175 V190	L167-L171 HydrophobicContact CD1-CD1 4.45Å; L167-L171 PolarHBondContact O-N 3.02Å; Q168-L171 PolarHBondContact O-N 2.94Å; R169-L171 VanDerWaalsContact C-N 3.35Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.76Å; L171-L174 WeakPolarHBondContact O-CA 3.48Å; L171-L174 VanDerWaalsContact O-CB 3.31Å; L171-L174 WeakPolarHBondContact O-CB 3.29Å; L171-L174 PolarHBondContact O-N 3.12Å; L171-E175 PolarHBondContact O-N 2.91Å; L171-V190 HydrophobicContact CD1-CG1 3.87Å
172	S	71.7	Confident	70.1	Confident	66 Å²	66	95.7 Å²	95.7	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-36	176.9	-60	0	0	0	0	112.9	Q168 R169 L174 E175 G176	Q168-S172 PolarHBondContact O-N 3.09Å; Q168-S172 PolarHBondContact O-OG 3.41Å; R169-S172 PolarHBondContact O-N 3.37Å; S172-L174 VanDerWaalsContact C-N 3.26Å; S172-L174 PolarHBondContact O-N 3.25Å; S172-E175 PolarHBondContact O-N 3.15Å; S172-G176 PolarHBondContact O-N 3.2Å
173	E	73.3	Confident	69.2	Low	117 Å²	117	90.1 Å²	90.1	55%	0.547	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-29.8	171.6	-75.9	171.2	-165.5	0	0	112.7	R169 L171	R169-E173 VanDerWaalsContact O-CG 3.31Å; R169-E173 WeakPolarHBondContact O-CG 3.44Å; R169-E173 PolarHBondContact O-N 2.85Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.76Å
174	L	70.6	Confident	68.3	Low	60 Å²	60	90.5 Å²	90.5	31%	0.314	51%	0.505	S	S	.	.	H	α-helix	trans	-77.4	-38.7	176.4	-160.8	76.6	0	0	0	111.7	S170 L171 S172 G176 K186 I187 V190	S170-L174 PolarHBondContact O-N 3.25Å; L171-L174 WeakPolarHBondContact O-CA 3.48Å; L171-L174 VanDerWaalsContact O-CB 3.31Å; L171-L174 WeakPolarHBondContact O-CB 3.29Å; L171-L174 PolarHBondContact O-N 3.12Å; S172-L174 VanDerWaalsContact C-N 3.26Å; S172-L174 PolarHBondContact O-N 3.25Å; L174-G176 VanDerWaalsContact C-N 3.31Å; L174-G176 PolarHBondContact O-N 2.86Å; L174-K186 HydrophobicContact CD1-CB 4.11Å; L174-I187 HydrophobicContact CD1-CG1 4Å; L174-V190 HydrophobicContact CD2-CG2 4.46Å
175	E	62.9	Low	67.8	Low	150 Å²	150	98 Å²	98	70%	0.701	54%	0.535	S	S	*	.	H	α-helix	trans	-68.9	-24.1	177.4	-74.4	177.4	167	0	0	113.6	L171 S172 L177	L171-E175 PolarHBondContact O-N 2.91Å; S172-E175 PolarHBondContact O-N 3.15Å; E175-L177 PolarHBondContact O-N 2.8Å
176	G	65.4	Low	67.5	Low	65 Å²	65	100.5 Å²	100.5	67%	0.67	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.3	178.3	0	0	0	0	0	115.8	S172 L174	S172-G176 PolarHBondContact O-N 3.2Å; L174-G176 VanDerWaalsContact C-N 3.31Å; L174-G176 PolarHBondContact O-N 2.86Å
177	L	63.4	Low	67.3	Low	84 Å²	84	103.8 Å²	103.8	44%	0.44	55%	0.552	S	S	.	*			trans	-95	113.2	-175.3	-76.6	160.4	0	0	0	111.7	E175 K186	E175-L177 PolarHBondContact O-N 2.8Å; L177-K186 HydrophobicContact CD1-CD 4.2Å
178	K	57.9	Low	66.9	Low	208 Å²	208	108.6 Å²	108.6	90%	0.904	57%	0.571	S	S	*	*	S	Bend	trans	-87.2	-5.1	179.3	-77.3	-174.7	174.8	179.6	0	115.6
179	V	57.7	Low	66.8	Low	115 Å²	115	103.3 Å²	103.3	70%	0.697	55%	0.551	S	S	*	*	S	Bend	trans	-149.8	140.5	177.3	-175	0	0	0	0	111.4
180	P	57.7	Low	66.9	Low	115 Å²	115	96.7 Å²	96.7	75%	0.747	53%	0.528	S	S	*	.			trans	-100.9	108.2	-170.3	34.5	-23.8	0	0	0	112.1
181	L	55.9	Low	66.6	Low	166 Å²	166	101.2 Å²	101.2	87%	0.869	55%	0.552	S	S	*	*	S	Bend	trans	-150.1	-10.8	160.7	-96.9	130.2	0	0	0	114.8
182	E	57.4	Low	66.8	Low	183 Å²	183	102.5 Å²	102.5	86%	0.855	56%	0.556	S	S	*	*	S	Bend	trans	-126.6	47.7	175.9	-67.3	-172.7	163.9	0	0	112.9
183	G	60.7	Low	67.2	Low	26 Å²	26	104 Å²	104	27%	0.268	55%	0.551	S	S	.	*			trans	-92.6	-15.6	-173.5	0	0	0	0	0	116.5	K186 I187	G183-K186 PolarHBondContact O-N 2.93Å; G183-I187 WeakPolarHBondContact O-CB 3.43Å; G183-I187 WeakPolarHBondContact O-CD1 3.47Å; G183-I187 WeakPolarHBondContact O-CG1 3.42Å; G183-I187 PolarHBondContact O-N 3.31Å
184	G	65.4	Low	67.2	Low	57 Å²	57	100.1 Å²	100.1	59%	0.588	54%	0.539	S	S	*	.	H	α-helix	trans	-63.8	-47.1	-165.9	0	0	0	0	0	115.1	K188	G184-K188 PolarHBondContact O-N 3.09Å; G184-K188 VanDerWaalsContact O-N 3.15Å
185	E	65.9	Low	67.4	Low	175 Å²	175	100.2 Å²	100.2	82%	0.818	54%	0.543	S	S	*	.	H	α-helix	trans	-71.9	-34	-178.8	-66.1	-173.8	155.5	0	0	112.5	K188 A189	E185-K188 WeakPolarHBondContact O-CB 3.48Å; E185-K188 PolarHBondContact O-N 2.97Å; E185-A189 PolarHBondContact O-N 2.99Å
186	K	69.1	Low	68	Low	98 Å²	98	97.1 Å²	97.1	43%	0.426	53%	0.53	S	S	.	.	H	α-helix	trans	-72.4	-38.7	178.3	-65.2	-176	-179.6	-179.6	0	112.2	L174 L177 G183 K188 A189 V190	L174-K186 HydrophobicContact CD1-CB 4.11Å; L177-K186 HydrophobicContact CD1-CD 4.2Å; G183-K186 PolarHBondContact O-N 2.93Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 2.84Å; K186-A189 PolarHBondContact O-N 3.06Å; K186-V190 WeakPolarHBondContact O-CG2 3.41Å; K186-V190 PolarHBondContact O-N 3.1Å
187	I	73.3	Confident	68.5	Low	86 Å²	86	97.1 Å²	97.1	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-62.5	-39.3	171.5	-69.1	166.8	0	0	0	110.5	L174 G183 V190 N191	L174-I187 HydrophobicContact CD1-CG1 4Å; G183-I187 WeakPolarHBondContact O-CB 3.43Å; G183-I187 WeakPolarHBondContact O-CD1 3.47Å; G183-I187 WeakPolarHBondContact O-CG1 3.42Å; G183-I187 PolarHBondContact O-N 3.31Å; I187-V190 PolarHBondContact O-N 3.03Å; I187-N191 PolarHBondContact O-N 3.02Å
188	K	71.1	Confident	68.9	Low	133 Å²	133	100.7 Å²	100.7	58%	0.578	52%	0.52	S	S	*	.	H	α-helix	trans	-63.3	-44.3	175.3	-166.5	-178.5	176.4	-172.4	0	111.8	G184 E185 K186 V190 N191 E192	G184-K188 PolarHBondContact O-N 3.09Å; G184-K188 VanDerWaalsContact O-N 3.15Å; E185-K188 WeakPolarHBondContact O-CB 3.48Å; E185-K188 PolarHBondContact O-N 2.97Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 2.84Å; K188-V190 VanDerWaalsContact C-N 3.35Å; K188-V190 PolarHBondContact O-N 3.43Å; K188-N191 PolarHBondContact O-N 3.11Å; K188-E192 WeakPolarHBondContact CE-OE1 3.44Å; K188-E192 WeakPolarHBondContact O-CG 3.48Å; K188-E192 PolarHBondContact O-N 2.84Å
189	A	74.6	Confident	69.7	Low	26 Å²	26	95.3 Å²	95.3	22%	0.215	50%	0.5	C	S	.	.	H	α-helix	trans	-62.3	-38.4	175.9	0	0	0	0	0	113.1	E185 K186 R193	E185-A189 PolarHBondContact O-N 2.99Å; K186-A189 PolarHBondContact O-N 3.06Å; A189-R193 WeakPolarHBondContact O-CB 3.39Å; A189-R193 VanDerWaalsContact O-CG 3.31Å; A189-R193 WeakPolarHBondContact O-CG 3.18Å; A189-R193 PolarHBondContact O-N 3.01Å
190	V	79.4	Confident	70.8	Confident	16 Å²	16	90.7 Å²	90.7	10%	0.097	47%	0.472	C	S	.	.	H	α-helix	trans	-64.3	-46.2	172.9	172.1	0	0	0	0	110.9	L167 L171 L174 K186 I187 K188 E192 R193 A194	L167-V190 HydrophobicContact CD1-CG1 4.28Å; L171-V190 HydrophobicContact CD1-CG1 3.87Å; L174-V190 HydrophobicContact CD2-CG2 4.46Å; K186-V190 WeakPolarHBondContact O-CG2 3.41Å; K186-V190 PolarHBondContact O-N 3.1Å; I187-V190 PolarHBondContact O-N 3.03Å; K188-V190 VanDerWaalsContact C-N 3.35Å; K188-V190 PolarHBondContact O-N 3.43Å; V190-E192 PolarHBondContact O-N 3.42Å; V190-R193 PolarHBondContact O-N 2.79Å; V190-A194 VanDerWaalsContact O-CB 3.23Å; V190-A194 WeakPolarHBondContact O-CB 3.25Å; V190-A194 PolarHBondContact O-N 2.7Å
191	N	72.3	Confident	71.7	Confident	100 Å²	100	86.5 Å²	86.5	54%	0.535	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-39.6	177.7	-84.6	-22.3	0	0	0	113	I187 K188 T195	I187-N191 PolarHBondContact O-N 3.02Å; K188-N191 PolarHBondContact O-N 3.11Å; N191-T195 WeakPolarHBondContact O-CB 3.17Å; N191-T195 PolarHBondContact O-N 2.97Å; N191-T195 PolarHBondContact O-OG1 2.88Å
192	E	77.6	Confident	72.6	Confident	107 Å²	107	82.5 Å²	82.5	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-64.4	-45.5	175.7	-74.2	172.4	-171.4	0	0	111.3	K188 V190 T195 L196	K188-E192 WeakPolarHBondContact CE-OE1 3.44Å; K188-E192 WeakPolarHBondContact O-CG 3.48Å; K188-E192 PolarHBondContact O-N 2.84Å; V190-E192 PolarHBondContact O-N 3.42Å; E192-T195 WeakPolarHBondContact O-CB 3.44Å; E192-T195 PolarHBondContact O-N 3.14Å; E192-L196 WeakPolarHBondContact O-CG 3.49Å; E192-L196 PolarHBondContact O-N 3.21Å
193	R	80.5	Confident	73.6	Confident	96 Å²	96	75.9 Å²	75.9	36%	0.362	40%	0.401	S	S	.	.	H	α-helix	trans	-70.4	-34.1	178.6	-69.9	169.3	-177.5	149.4	3.4	112.7	L167 S170 A189 V190 T195 L196 F197	L167-R193 HydrophobicContact CD1-CB 4.25Å; S170-R193 WeakPolarHBondContact OG-CD 3.32Å; S170-R193 PolarHBondContact OG-NH1 2.74Å; A189-R193 WeakPolarHBondContact O-CB 3.39Å; A189-R193 VanDerWaalsContact O-CG 3.31Å; A189-R193 WeakPolarHBondContact O-CG 3.18Å; A189-R193 PolarHBondContact O-N 3.01Å; V190-R193 PolarHBondContact O-N 2.79Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-L196 PolarHBondContact O-N 3.38Å; R193-F197 WeakPolarHBondContact O-CB 3.49Å; R193-F197 PolarHBondContact O-N 3.35Å
194	A	73.4	Confident	74.7	Confident	36 Å²	36	77 Å²	77	30%	0.298	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-38.3	172	0	0	0	0	0	111.1	L167 V190 F197 R198	L167-A194 HydrophobicContact CD1-CB 3.88Å; L167-A194 HydrophobicContact CD2-CB 4.35Å; V190-A194 VanDerWaalsContact O-CB 3.23Å; V190-A194 WeakPolarHBondContact O-CB 3.25Å; V190-A194 PolarHBondContact O-N 2.7Å; A194-F197 PolarHBondContact O-N 3.14Å; A194-R198 WeakPolarHBondContact O-CB 3.34Å; A194-R198 PolarHBondContact O-N 2.85Å
195	T	73.7	Confident	75.3	Confident	63 Å²	63	78.5 Å²	78.5	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-66.2	-43.8	175.2	-58.8	0	0	0	0	111.4	N191 E192 R193 R198 I199	N191-T195 WeakPolarHBondContact O-CB 3.17Å; N191-T195 PolarHBondContact O-N 2.97Å; N191-T195 PolarHBondContact O-OG1 2.88Å; E192-T195 WeakPolarHBondContact O-CB 3.44Å; E192-T195 PolarHBondContact O-N 3.14Å; R193-T195 VanDerWaalsContact C-N 3.32Å; T195-R198 PolarHBondContact O-N 2.81Å; T195-I199 HydrophobicContact CG2-CD1 4.01Å; T195-I199 VanDerWaalsContact O-CG1 3.29Å; T195-I199 WeakPolarHBondContact O-CG1 3.47Å; T195-I199 PolarHBondContact O-N 3.44Å
196	L	75.5	Confident	75.9	Confident	85 Å²	85	74 Å²	74	45%	0.445	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-42.4	175.2	-72.2	170.9	0	0	0	112.5	E192 R193 R198 I199 T200	E192-L196 WeakPolarHBondContact O-CG 3.49Å; E192-L196 PolarHBondContact O-N 3.21Å; R193-L196 PolarHBondContact O-N 3.38Å; L196-R198 VanDerWaalsContact C-N 3.33Å; L196-R198 PolarHBondContact O-N 3.19Å; L196-I199 PolarHBondContact O-N 3.43Å; L196-T200 PolarHBondContact O-N 3.31Å; L196-T200 PolarHBondContact O-OG1 2.9Å
197	F	77.1	Confident	76.4	Confident	65 Å²	65	70 Å²	70	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-40.7	174.2	-175.8	-104.7	0	0	0	111.7	I160 H163 G164 L167 R193 A194 T200 S201	I160-F197 HydrophobicContact CG2-CE2 3.84Å; I160-F197 HydrophobicContact CG2-CZ 4.34Å; H163-F197 HydrophobicContact CB-CB 4.3Å; H163-F197 HydrophobicContact CB-CD2 4.04Å; G164-F197 VanDerWaalsContact CA-CE2 3.49Å; G164-F197 VanDerWaalsContact N-CD2 3.35Å; L167-F197 HydrophobicContact CD2-CB 4.07Å; L167-F197 HydrophobicContact CD2-CD1 4.14Å; L167-F197 HydrophobicContact CD2-CG 4.15Å; R193-F197 WeakPolarHBondContact O-CB 3.49Å; R193-F197 PolarHBondContact O-N 3.35Å; A194-F197 PolarHBondContact O-N 3.14Å; F197-T200 WeakPolarHBondContact CA-OG1 3.49Å; F197-T200 PolarHBondContact O-N 2.86Å; F197-T200 PolarHBondContact O-OG1 3.4Å; F197-T200 VanDerWaalsContact O-OG1 3.12Å; F197-S201 VanDerWaalsContact O-CB 3.24Å; F197-S201 WeakPolarHBondContact O-CB 3.28Å; F197-S201 PolarHBondContact O-N 2.89Å; F197-S201 PolarHBondContact O-OG 3.02Å
198	R	71.6	Confident	76.7	Confident	158 Å²	158	68 Å²	68	60%	0.596	35%	0.354	S	S	*	.	H	α-helix	trans	-64.7	-42.8	175.8	-172.2	-177.6	68	137	0.9	112.4	A194 T195 L196 N202	A194-R198 WeakPolarHBondContact O-CB 3.34Å; A194-R198 PolarHBondContact O-N 2.85Å; T195-R198 PolarHBondContact O-N 2.81Å; L196-R198 VanDerWaalsContact C-N 3.33Å; L196-R198 PolarHBondContact O-N 3.19Å; R198-N202 WeakPolarHBondContact O-CB 3.37Å; R198-N202 PolarHBondContact O-N 3.24Å; R198-N202 PolarHBondContact O-ND2 2.89Å
199	I	74.8	Confident	77.3	Confident	95 Å²	95	69 Å²	69	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-46.1	177.7	-69.4	165.4	0	0	0	110.3	T195 L196 N202 A203	T195-I199 HydrophobicContact CG2-CD1 4.01Å; T195-I199 VanDerWaalsContact O-CG1 3.29Å; T195-I199 WeakPolarHBondContact O-CG1 3.47Å; T195-I199 PolarHBondContact O-N 3.44Å; L196-I199 PolarHBondContact O-N 3.43Å; I199-N202 PolarHBondContact O-N 2.97Å; I199-A203 PolarHBondContact O-N 2.81Å
200	T	79.4	Confident	77.6	Confident	18 Å²	18	72.1 Å²	72.1	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-71.9	-35.8	-179.6	49.7	0	0	0	0	113.4	L159 H163 L196 F197 A203 M204	L159-T200 HydrophobicContact CB-CG2 4.34Å; H163-T200 WeakPolarHBondContact CD2-CG2 3.39Å; H163-T200 PolarHBondContact CD2-OG1 3.2Å; L196-T200 PolarHBondContact O-N 3.31Å; L196-T200 PolarHBondContact O-OG1 2.9Å; F197-T200 WeakPolarHBondContact CA-OG1 3.49Å; F197-T200 PolarHBondContact O-N 2.86Å; F197-T200 PolarHBondContact O-OG1 3.4Å; F197-T200 VanDerWaalsContact O-OG1 3.12Å; T200-A203 WeakPolarHBondContact O-CB 3.37Å; T200-A203 PolarHBondContact O-N 3.03Å; T200-M204 PolarHBondContact O-N 3.33Å
201	S	78.2	Confident	77.9	Confident	27 Å²	27	73.8 Å²	73.8	19%	0.189	37%	0.373	C	S	.	.	H	α-helix	trans	-59.6	-44.8	170.1	-61.3	0	0	0	0	111.8	F197 M204 I205	F197-S201 VanDerWaalsContact O-CB 3.24Å; F197-S201 WeakPolarHBondContact O-CB 3.28Å; F197-S201 PolarHBondContact O-N 2.89Å; F197-S201 PolarHBondContact O-OG 3.02Å; S201-M204 PolarHBondContact O-N 3.04Å; S201-I205 VanDerWaalsContact O-CG1 3.28Å; S201-I205 WeakPolarHBondContact O-CG1 3.2Å; S201-I205 PolarHBondContact O-N 3.41Å
202	N	73.1	Confident	78.3	Confident	82 Å²	82	74.4 Å²	74.4	44%	0.439	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-37.3	175.1	-78.9	-30	0	0	0	112.5	R198 I199 I205 N206	R198-N202 WeakPolarHBondContact O-CB 3.37Å; R198-N202 PolarHBondContact O-N 3.24Å; R198-N202 PolarHBondContact O-ND2 2.89Å; I199-N202 PolarHBondContact O-N 2.97Å; N202-I205 PolarHBondContact O-N 2.79Å; N202-N206 VanDerWaalsContact O-CG 3.31Å; N202-N206 PolarHBondContact O-N 2.8Å; N202-N206 PolarHBondContact O-ND2 3.43Å
203	A	79.8	Confident	78.5	Confident	44 Å²	44	74.3 Å²	74.3	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-42.8	174.8	0	0	0	0	0	112	I199 T200 N206 A207	I199-A203 PolarHBondContact O-N 2.81Å; T200-A203 WeakPolarHBondContact O-CB 3.37Å; T200-A203 PolarHBondContact O-N 3.03Å; A203-N206 PolarHBondContact O-N 3.46Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 3.2Å
204	M	83.3	Confident	78.6	Confident	49 Å²	49	71.9 Å²	71.9	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-64.7	-43.1	174.7	-172.8	-172.8	-163	0	0	112.2	C156 N157 I160 T200 S201 N206 A207 C208	C156-M204 HydrophobicContact CB-CB 3.88Å; C156-M204 HydrophobicContact CB-CG 4.15Å; N157-M204 HydrophobicContact CB-CE 3.95Å; I160-M204 HydrophobicContact CD1-CB 3.27Å; I160-M204 HydrophobicContact CD1-CG 3.81Å; I160-M204 HydrophobicContact CD1-SD 3.26Å; I160-M204 WeakPolarHBondContact CD1-SD 3.1Å; T200-M204 PolarHBondContact O-N 3.33Å; S201-M204 PolarHBondContact O-N 3.04Å; M204-N206 VanDerWaalsContact C-N 3.25Å; M204-N206 PolarHBondContact O-N 3.27Å; M204-A207 PolarHBondContact O-N 3.37Å; M204-C208 WeakPolarHBondContact O-CB 3.45Å; M204-C208 PolarHBondContact O-N 3.04Å; M204-C208 PolarHBondContact O-SG 2.81Å; M204-C208 VanDerWaalsContact O-SG 3.34Å
205	I	77.1	Confident	78.9	Confident	89 Å²	89	71.7 Å²	71.7	46%	0.456	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-41.1	177.8	-70.1	165.8	0	0	0	110.6	S201 N202 R209	S201-I205 VanDerWaalsContact O-CG1 3.28Å; S201-I205 WeakPolarHBondContact O-CG1 3.2Å; S201-I205 PolarHBondContact O-N 3.41Å; N202-I205 PolarHBondContact O-N 2.79Å; I205-R209 WeakPolarHBondContact O-CB 3.21Å; I205-R209 PolarHBondContact O-N 2.95Å; I205-R209 VanDerWaalsContact O-N 3.07Å
206	N	78.7	Confident	79.2	Confident	81 Å²	81	73.6 Å²	73.6	43%	0.433	38%	0.376	S	S	.	.	H	α-helix	trans	-69	-45	176.5	-69	-22.4	0	0	0	111.8	N202 A203 M204 C208 R209 D210	N202-N206 VanDerWaalsContact O-CG 3.31Å; N202-N206 PolarHBondContact O-N 2.8Å; N202-N206 PolarHBondContact O-ND2 3.43Å; A203-N206 PolarHBondContact O-N 3.46Å; M204-N206 VanDerWaalsContact C-N 3.25Å; M204-N206 PolarHBondContact O-N 3.27Å; N206-C208 VanDerWaalsContact C-N 3.3Å; N206-C208 PolarHBondContact O-N 3.34Å; N206-R209 WeakPolarHBondContact O-CB 3.35Å; N206-R209 PolarHBondContact O-N 2.85Å; N206-R209 VanDerWaalsContact O-N 3.12Å; N206-D210 VanDerWaalsContact O-CG 3.29Å; N206-D210 PolarHBondContact O-N 3Å
207	A	81.2	Confident	79.3	Confident	15 Å²	15	73 Å²	73	12%	0.124	38%	0.376	C	S	.	.	H	α-helix	trans	-60.9	-37.4	176.3	0	0	0	0	0	112.5	L153 A203 M204 F211	L153-A207 HydrophobicContact CD2-CB 3.71Å; L153-A207 HydrophobicContact CG-CB 4.26Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 3.2Å; M204-A207 PolarHBondContact O-N 3.37Å; A207-F211 WeakPolarHBondContact O-CB 3.35Å; A207-F211 PolarHBondContact O-N 3.46Å
208	C	79.6	Confident	79.4	Confident	44 Å²	44	71.2 Å²	71.2	30%	0.297	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-42.7	174.6	-75.9	0	0	0	0	111.1	L153 M204 N206 F211 L212	L153-C208 HydrophobicContact CD2-CB 4.2Å; L153-C208 WeakPolarHBondContact CD2-SG 3.14Å; M204-C208 WeakPolarHBondContact O-CB 3.45Å; M204-C208 PolarHBondContact O-N 3.04Å; M204-C208 PolarHBondContact O-SG 2.81Å; M204-C208 VanDerWaalsContact O-SG 3.34Å; N206-C208 VanDerWaalsContact C-N 3.3Å; N206-C208 PolarHBondContact O-N 3.34Å; C208-F211 PolarHBondContact O-N 3.2Å; C208-L212 WeakPolarHBondContact O-CB 3.26Å; C208-L212 VanDerWaalsContact O-CG 3.24Å; C208-L212 WeakPolarHBondContact O-CG 3.37Å; C208-L212 PolarHBondContact O-N 2.73Å
209	R	82	Confident	79.5	Confident	154 Å²	154	66.6 Å²	66.6	58%	0.581	36%	0.36	S	S	*	.	H	α-helix	trans	-63.8	-46	178.2	-171.9	-179	-68	144.9	0.4	111.2	I205 N206 F211 L212 D213	I205-R209 WeakPolarHBondContact O-CB 3.21Å; I205-R209 PolarHBondContact O-N 2.95Å; I205-R209 VanDerWaalsContact O-N 3.07Å; N206-R209 WeakPolarHBondContact O-CB 3.35Å; N206-R209 PolarHBondContact O-N 2.85Å; N206-R209 VanDerWaalsContact O-N 3.12Å; R209-F211 PolarHBondContact O-N 2.83Å; R209-L212 PolarHBondContact O-N 3.36Å; R209-D213 WeakPolarHBondContact O-CB 3.37Å; R209-D213 PolarHBondContact O-N 2.91Å
210	D	81.5	Confident	79.6	Confident	91 Å²	91	67 Å²	67	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-40.3	179.2	-66.1	-8.7	0	0	0	111.6	N206 L214	N206-D210 VanDerWaalsContact O-CG 3.29Å; N206-D210 PolarHBondContact O-N 3Å; D210-L214 VanDerWaalsContact O-CB 3.29Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 PolarHBondContact O-N 2.91Å; D210-L214 VanDerWaalsContact O-N 3.11Å
211	F	85.7	Confident	79.3	Confident	50 Å²	50	71.8 Å²	71.8	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-44.7	175.5	-179.9	-93	0	0	0	112	L146 K149 L150 L153 A207 C208 R209 L214 A215	L146-F211 HydrophobicContact CD2-CD2 4.28Å; L146-F211 HydrophobicContact CD2-CE2 3.94Å; L146-F211 HydrophobicContact CD2-CZ 4.49Å; K149-F211 HydrophobicContact CB-CD2 3.88Å; L150-F211 HydrophobicContact CB-CE2 4.36Å; L150-F211 HydrophobicContact CD1-CE2 4.37Å; L150-F211 HydrophobicContact CD1-CZ 4.38Å; L153-F211 HydrophobicContact CD1-CB 3.72Å; L153-F211 HydrophobicContact CD1-CD1 4.19Å; L153-F211 HydrophobicContact CD1-CD2 4.22Å; L153-F211 HydrophobicContact CD1-CG 3.78Å; A207-F211 WeakPolarHBondContact O-CB 3.35Å; A207-F211 PolarHBondContact O-N 3.46Å; C208-F211 PolarHBondContact O-N 3.2Å; R209-F211 PolarHBondContact O-N 2.83Å; F211-L214 PolarHBondContact O-N 2.88Å; F211-A215 HydrophobicContact CE1-CB 4.36Å; F211-A215 VanDerWaalsContact O-CB 3.23Å; F211-A215 WeakPolarHBondContact O-CB 3.26Å; F211-A215 PolarHBondContact O-N 3.36Å
212	L	80.6	Confident	78.9	Confident	114 Å²	114	74.9 Å²	74.9	60%	0.597	39%	0.386	S	S	*	.	H	α-helix	trans	-62.9	-44.3	179.6	-75.8	169.8	0	0	0	111.8	C208 R209 L214 A215 E216	C208-L212 WeakPolarHBondContact O-CB 3.26Å; C208-L212 VanDerWaalsContact O-CG 3.24Å; C208-L212 WeakPolarHBondContact O-CG 3.37Å; C208-L212 PolarHBondContact O-N 2.73Å; R209-L212 PolarHBondContact O-N 3.36Å; L212-L214 PolarHBondContact O-N 3.04Å; L212-A215 PolarHBondContact O-N 3.43Å; L212-E216 WeakPolarHBondContact O-CB 3.31Å; L212-E216 PolarHBondContact O-N 3.29Å
213	D	82.6	Confident	78.8	Confident	104 Å²	104	76.9 Å²	76.9	56%	0.556	39%	0.392	S	S	*	.	H	α-helix	trans	-64.3	-41.7	179.3	-164.2	42.1	0	0	0	111.6	R209 T217	R209-D213 WeakPolarHBondContact O-CB 3.37Å; R209-D213 PolarHBondContact O-N 2.91Å; D213-T217 WeakPolarHBondContact O-CB 3.17Å; D213-T217 PolarHBondContact O-N 3.02Å; D213-T217 VanDerWaalsContact O-N 3.08Å; D213-T217 PolarHBondContact O-OG1 3.13Å
214	L	82.2	Confident	78.5	Confident	46 Å²	46	83.4 Å²	83.4	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-66.2	-43.6	175.7	-172.1	65.4	0	0	0	111.9	I145 L146 K149 D210 F211 L212 T217 H218	I145-L214 HydrophobicContact CG2-CD2 3.72Å; L146-L214 HydrophobicContact CD2-CB 4.3Å; L146-L214 HydrophobicContact CD2-CD2 3.81Å; L146-L214 HydrophobicContact CD2-CG 3.89Å; L146-L214 HydrophobicContact CG-CD2 4.17Å; L146-L214 HydrophobicContact CG-CG 4.41Å; K149-L214 HydrophobicContact CG-CD2 4.21Å; D210-L214 VanDerWaalsContact O-CB 3.29Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 PolarHBondContact O-N 2.91Å; D210-L214 VanDerWaalsContact O-N 3.11Å; F211-L214 PolarHBondContact O-N 2.88Å; L212-L214 PolarHBondContact O-N 3.04Å; L214-T217 PolarHBondContact O-N 3.06Å; L214-H218 WeakPolarHBondContact CD1-NE2 3.38Å; L214-H218 PolarHBondContact O-CD2 2.94Å; L214-H218 PolarHBondContact O-N 2.86Å
215	A	78.8	Confident	77.8	Confident	32 Å²	32	83.4 Å²	83.4	26%	0.264	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-41.4	178.7	0	0	0	0	0	112.3	L146 F211 L212 H218 S219	L146-A215 HydrophobicContact CD2-CB 4.26Å; F211-A215 HydrophobicContact CE1-CB 4.36Å; F211-A215 VanDerWaalsContact O-CB 3.23Å; F211-A215 WeakPolarHBondContact O-CB 3.26Å; F211-A215 PolarHBondContact O-N 3.36Å; L212-A215 PolarHBondContact O-N 3.43Å; A215-H218 PolarHBondContact O-N 3.38Å; A215-S219 VanDerWaalsContact O-CB 3.28Å; A215-S219 WeakPolarHBondContact O-CB 3.42Å; A215-S219 PolarHBondContact O-N 3.43Å
216	E	80.3	Confident	77.5	Confident	102 Å²	102	83.5 Å²	83.5	48%	0.477	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-40.3	177.8	-163.7	-172.8	147.1	0	0	111.3	L212 R220	L212-E216 WeakPolarHBondContact O-CB 3.31Å; L212-E216 PolarHBondContact O-N 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.34Å; E216-R220 PolarHBondContact O-N 3.22Å; E216-R220 VanDerWaalsContact O-N 3.12Å; E216-R220 PolarHBondContact O-NE 3.19Å; E216-R220 IonicContact OE1-CZ 2.94Å; E216-R220 IonicContact OE1-NH1 3.82Å; E216-R220 PolarHBondContact OE1-NH1 2.94Å; E216-R220 IonicContact OE1-NH2 3.73Å; E216-R220 PolarHBondContact OE1-NH2 2.96Å
217	T	78.4	Confident	77.1	Confident	73 Å²	73	83.8 Å²	83.8	45%	0.448	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-44.2	177	-56.9	0	0	0	0	111.5	D213 L214 R220 R221	D213-T217 WeakPolarHBondContact O-CB 3.17Å; D213-T217 PolarHBondContact O-N 3.02Å; D213-T217 VanDerWaalsContact O-N 3.08Å; D213-T217 PolarHBondContact O-OG1 3.13Å; L214-T217 PolarHBondContact O-N 3.06Å; T217-R220 PolarHBondContact O-N 3.34Å; T217-R221 PolarHBondContact O-N 3.34Å; T217-R221 VanDerWaalsContact O-N 3.13Å
218	H	78.8	Confident	76.7	Confident	28 Å²	28	87.3 Å²	87.3	13%	0.13	43%	0.429	C	S	.	.	H	α-helix	trans	-66.9	-41.2	175.5	-80.6	-51.6	0	0	0	113.4	T142 L146 L214 A215 R220 R221 L222	T142-H218 WeakPolarHBondContact CB-CE1 3.45Å; T142-H218 WeakPolarHBondContact CG2-CE1 3.41Å; L146-H218 HydrophobicContact CD1-CB 4.33Å; L214-H218 WeakPolarHBondContact CD1-NE2 3.38Å; L214-H218 PolarHBondContact O-CD2 2.94Å; L214-H218 PolarHBondContact O-N 2.86Å; A215-H218 PolarHBondContact O-N 3.38Å; H218-R220 VanDerWaalsContact C-N 3.28Å; H218-R220 PolarHBondContact O-N 2.89Å; H218-R221 PolarHBondContact O-N 3.49Å; H218-L222 WeakPolarHBondContact O-CB 3.35Å; H218-L222 WeakPolarHBondContact O-CG 3.44Å; H218-L222 PolarHBondContact O-N 2.89Å
219	S	73.3	Confident	76.1	Confident	61 Å²	61	90.2 Å²	90.2	43%	0.427	44%	0.438	S	S	.	.	H	α-helix	trans	-58.7	-43.1	177.6	-176.8	0	0	0	0	111.1	A215 Q223	A215-S219 VanDerWaalsContact O-CB 3.28Å; A215-S219 WeakPolarHBondContact O-CB 3.42Å; A215-S219 PolarHBondContact O-N 3.43Å; S219-Q223 WeakPolarHBondContact O-CB 3.48Å; S219-Q223 WeakPolarHBondContact O-CG 3.38Å; S219-Q223 PolarHBondContact O-N 3.28Å
220	R	77	Confident	75.4	Confident	104 Å²	104	89.8 Å²	89.8	39%	0.392	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-42.7	175.9	-75.6	-174.9	-80.3	-142.3	-4	112.3	E216 T217 H218 Q223 R224	E216-R220 WeakPolarHBondContact O-CG 3.34Å; E216-R220 PolarHBondContact O-N 3.22Å; E216-R220 VanDerWaalsContact O-N 3.12Å; E216-R220 PolarHBondContact O-NE 3.19Å; E216-R220 IonicContact OE1-CZ 2.94Å; E216-R220 IonicContact OE1-NH1 3.82Å; E216-R220 PolarHBondContact OE1-NH1 2.94Å; E216-R220 IonicContact OE1-NH2 3.73Å; E216-R220 PolarHBondContact OE1-NH2 2.96Å; T217-R220 PolarHBondContact O-N 3.34Å; H218-R220 VanDerWaalsContact C-N 3.28Å; H218-R220 PolarHBondContact O-N 2.89Å; R220-Q223 PolarHBondContact O-N 2.65Å; R220-R224 WeakPolarHBondContact O-CG 3.49Å; R220-R224 PolarHBondContact O-N 3.06Å; R220-R224 VanDerWaalsContact O-N 3.08Å
221	R	72.8	Confident	75.1	Confident	117 Å²	117	90.4 Å²	90.4	44%	0.442	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-43.6	178.5	-160.4	174.1	-167.2	-166.9	-2.9	112	E128 E138 T217 H218 R224 A225	E128-R221 IonicContact OE1-CZ 2.77Å; E128-R221 IonicContact OE1-NH2 2.87Å; E128-R221 PolarHBondContact OE1-NH2 2.82Å; E138-R221 IonicContact OE2-NH1 3.54Å; E138-R221 IonicContact OE2-NH2 3.82Å; T217-R221 PolarHBondContact O-N 3.34Å; T217-R221 VanDerWaalsContact O-N 3.13Å; H218-R221 PolarHBondContact O-N 3.49Å; R221-R224 PolarHBondContact O-N 2.58Å; R221-A225 PolarHBondContact O-N 2.94Å
222	L	69.6	Low	74.2	Confident	92 Å²	92	91.5 Å²	91.5	48%	0.482	44%	0.442	S	S	.	.	H	α-helix	trans	-64.3	-40.2	175.9	-76.8	166.5	0	0	0	112.4	I139 H218 R224 A225 L226	I139-L222 HydrophobicContact CD1-CD2 4.46Å; I139-L222 HydrophobicContact CG1-CD2 4.46Å; I139-L222 HydrophobicContact CG2-CD2 4.44Å; H218-L222 WeakPolarHBondContact O-CB 3.35Å; H218-L222 WeakPolarHBondContact O-CG 3.44Å; H218-L222 PolarHBondContact O-N 2.89Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.05Å; L222-A225 PolarHBondContact O-N 3.25Å; L222-L226 VanDerWaalsContact O-CB 3.28Å; L222-L226 WeakPolarHBondContact O-CB 3.4Å; L222-L226 PolarHBondContact O-N 3.07Å
223	Q	71.3	Confident	73.5	Confident	125 Å²	125	93 Å²	93	58%	0.584	44%	0.44	S	S	*	.	H	α-helix	trans	-61.4	-41.8	174.5	-81.7	177.8	-20.7	0	0	111.9	S219 R220 Q227	S219-Q223 WeakPolarHBondContact O-CB 3.48Å; S219-Q223 WeakPolarHBondContact O-CG 3.38Å; S219-Q223 PolarHBondContact O-N 3.28Å; R220-Q223 PolarHBondContact O-N 2.65Å; Q223-Q227 VanDerWaalsContact O-CB 3.24Å; Q223-Q227 WeakPolarHBondContact O-CB 3.33Å; Q223-Q227 PolarHBondContact O-N 2.85Å
224	R	73.9	Confident	72.9	Confident	180 Å²	180	91.5 Å²	91.5	68%	0.679	44%	0.435	S	S	*	.	H	α-helix	trans	-65.9	-45.7	175.9	-69.6	177	-165.7	161.5	1.2	112.2	R220 R221 L222 L226 Q227 H228	R220-R224 WeakPolarHBondContact O-CG 3.49Å; R220-R224 PolarHBondContact O-N 3.06Å; R220-R224 VanDerWaalsContact O-N 3.08Å; R221-R224 PolarHBondContact O-N 2.58Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.05Å; R224-L226 PolarHBondContact O-N 3.21Å; R224-Q227 PolarHBondContact O-N 3.48Å; R224-H228 WeakPolarHBondContact O-CB 3.5Å; R224-H228 PolarHBondContact O-N 3.43Å
225	A	69.3	Low	72.5	Confident	49 Å²	49	95 Å²	95	41%	0.405	45%	0.449	S	S	.	.	H	α-helix	trans	-61.7	-42.5	177	0	0	0	0	0	112	R221 L222 Q227 H228 E229	R221-A225 PolarHBondContact O-N 2.94Å; L222-A225 PolarHBondContact O-N 3.25Å; A225-Q227 VanDerWaalsContact C-N 3.33Å; A225-Q227 PolarHBondContact O-N 3.19Å; A225-H228 PolarHBondContact O-N 3.34Å; A225-E229 PolarHBondContact O-N 2.75Å
226	L	69.3	Low	71.8	Confident	91 Å²	91	98.4 Å²	98.4	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-64.4	-38.7	175	-179.8	63.8	0	0	0	112.1	L222 R224 R230	L222-L226 VanDerWaalsContact O-CB 3.28Å; L222-L226 WeakPolarHBondContact O-CB 3.4Å; L222-L226 PolarHBondContact O-N 3.07Å; R224-L226 PolarHBondContact O-N 3.21Å; L226-R230 VanDerWaalsContact O-CG 3.28Å; L226-R230 WeakPolarHBondContact O-CG 3.29Å; L226-R230 PolarHBondContact O-N 3.49Å
227	Q	71.6	Confident	70.8	Confident	88 Å²	88	95.7 Å²	95.7	41%	0.411	45%	0.45	S	S	.	.	H	α-helix	trans	-67.2	-41.4	176.7	-174.6	60.7	25.7	0	0	111	Q223 R224 A225 R230 E231	Q223-Q227 VanDerWaalsContact O-CB 3.24Å; Q223-Q227 WeakPolarHBondContact O-CB 3.33Å; Q223-Q227 PolarHBondContact O-N 2.85Å; R224-Q227 PolarHBondContact O-N 3.48Å; A225-Q227 VanDerWaalsContact C-N 3.33Å; A225-Q227 PolarHBondContact O-N 3.19Å; Q227-R230 WeakPolarHBondContact O-CB 2.93Å; Q227-R230 PolarHBondContact O-N 2.94Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 3.39Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 2.88Å
228	H	72.7	Confident	70.4	Confident	88 Å²	88	97 Å²	97	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-46.3	174.2	-174	72.5	0	0	0	112.1	R224 A225 R230 E231 Q232	R224-H228 WeakPolarHBondContact O-CB 3.5Å; R224-H228 PolarHBondContact O-N 3.43Å; A225-H228 PolarHBondContact O-N 3.34Å; H228-R230 VanDerWaalsContact C-N 3.31Å; H228-R230 PolarHBondContact O-N 3.33Å; H228-E231 PolarHBondContact O-N 3.28Å; H228-Q232 PolarHBondContact NE2-NE2 3.29Å; H228-Q232 WeakPolarHBondContact O-CG 3.45Å; H228-Q232 PolarHBondContact O-N 2.7Å
229	E	67.2	Low	69.9	Low	106 Å²	106	98 Å²	98	50%	0.495	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-39.8	174.1	-81.3	-68.5	147.9	0	0	112.4	A225 R233	A225-E229 PolarHBondContact O-N 2.75Å; E229-R233 VanDerWaalsContact O-CB 3.32Å; E229-R233 WeakPolarHBondContact O-CB 3.33Å; E229-R233 PolarHBondContact O-N 2.8Å
230	R	67.3	Low	69.4	Low	145 Å²	145	97.2 Å²	97.2	55%	0.547	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-40.4	175.4	-74.9	171.7	175.2	-173.1	-1.5	112.1	L226 Q227 H228 T234	L226-R230 VanDerWaalsContact O-CG 3.28Å; L226-R230 WeakPolarHBondContact O-CG 3.29Å; L226-R230 PolarHBondContact O-N 3.49Å; Q227-R230 WeakPolarHBondContact O-CB 2.93Å; Q227-R230 PolarHBondContact O-N 2.94Å; H228-R230 VanDerWaalsContact C-N 3.31Å; H228-R230 PolarHBondContact O-N 3.33Å; R230-T234 WeakPolarHBondContact O-CB 3.12Å; R230-T234 PolarHBondContact O-N 2.68Å; R230-T234 PolarHBondContact O-OG1 3.05Å
231	E	74.4	Confident	68.8	Low	104 Å²	104	96.6 Å²	96.6	49%	0.486	45%	0.451	S	S	.	.	H	α-helix	trans	-69.1	-44.7	177.9	-75.1	167.7	-168	0	0	111.4	Q227 H228 R233 T234 H235	Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 3.39Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 2.88Å; H228-E231 PolarHBondContact O-N 3.28Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 2.93Å; E231-T234 PolarHBondContact O-N 2.76Å; E231-T234 VanDerWaalsContact O-N 3.14Å; E231-H235 WeakPolarHBondContact O-CB 3.29Å; E231-H235 PolarHBondContact O-N 2.87Å
232	Q	67.2	Low	68.3	Low	73 Å²	73	96.6 Å²	96.6	34%	0.341	46%	0.456	S	S	.	.	H	α-helix	trans	-57.7	-46.6	172.8	-77.6	-163.5	2.3	0	0	111.6	H228 T234 H235 L236	H228-Q232 PolarHBondContact NE2-NE2 3.29Å; H228-Q232 WeakPolarHBondContact O-CG 3.45Å; H228-Q232 PolarHBondContact O-N 2.7Å; Q232-T234 VanDerWaalsContact C-N 3.31Å; Q232-T234 PolarHBondContact O-N 3.18Å; Q232-H235 PolarHBondContact O-N 2.96Å; Q232-L236 WeakPolarHBondContact O-CB 3.43Å; Q232-L236 WeakPolarHBondContact O-CG 3.17Å; Q232-L236 PolarHBondContact O-N 2.71Å
233	R	66.4	Low	68	Low	146 Å²	146	96.5 Å²	96.5	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-57.7	-45.4	175.2	178.6	-176	165.4	176.1	-1.5	111.4	E229 E231 L236 E237	E229-R233 VanDerWaalsContact O-CB 3.32Å; E229-R233 WeakPolarHBondContact O-CB 3.33Å; E229-R233 PolarHBondContact O-N 2.8Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 2.93Å; R233-L236 PolarHBondContact O-N 3.21Å; R233-E237 IonicContact CZ-OE1 2.87Å; R233-E237 IonicContact NE-OE1 2.91Å; R233-E237 PolarHBondContact NE-OE1 3.48Å; R233-E237 IonicContact NH2-OE1 3.07Å; R233-E237 PolarHBondContact NH2-OE1 2.88Å; R233-E237 VanDerWaalsContact NH2-OE1 3.16Å; R233-E237 WeakPolarHBondContact O-CB 3.28Å; R233-E237 WeakPolarHBondContact O-CG 3.47Å; R233-E237 PolarHBondContact O-N 2.75Å
234	T	68.9	Low	67	Low	72 Å²	72	90.9 Å²	90.9	44%	0.442	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-44.5	179.8	-53.1	0	0	0	0	110.8	R230 E231 Q232 L236 E237 E238	R230-T234 WeakPolarHBondContact O-CB 3.12Å; R230-T234 PolarHBondContact O-N 2.68Å; R230-T234 PolarHBondContact O-OG1 3.05Å; E231-T234 PolarHBondContact O-N 2.76Å; E231-T234 VanDerWaalsContact O-N 3.14Å; Q232-T234 VanDerWaalsContact C-N 3.31Å; Q232-T234 PolarHBondContact O-N 3.18Å; T234-L236 PolarHBondContact O-N 3.17Å; T234-E237 PolarHBondContact O-N 3.16Å; T234-E238 WeakPolarHBondContact O-CG 3.31Å; T234-E238 PolarHBondContact O-N 3.5Å
235	H	74.4	Confident	66.3	Low	119 Å²	119	88.2 Å²	88.2	55%	0.551	42%	0.424	S	S	*	.	H	α-helix	trans	-63.6	-40.8	177.6	-173.7	60.8	0	0	0	113	E231 Q232 E238 T239	E231-H235 WeakPolarHBondContact O-CB 3.29Å; E231-H235 PolarHBondContact O-N 2.87Å; Q232-H235 PolarHBondContact O-N 2.96Å; H235-E238 PolarHBondContact O-N 2.91Å; H235-T239 WeakPolarHBondContact O-CB 3.39Å; H235-T239 PolarHBondContact O-N 2.75Å; H235-T239 PolarHBondContact O-OG1 3.27Å
236	L	63.2	Low	65.9	Low	103 Å²	103	91.5 Å²	91.5	54%	0.539	43%	0.431	S	S	.	.	H	α-helix	trans	-65.4	-41.8	174.2	-73.9	170.3	0	0	0	111.5	Q232 R233 T234 E238 T239 I240	Q232-L236 WeakPolarHBondContact O-CB 3.43Å; Q232-L236 WeakPolarHBondContact O-CG 3.17Å; Q232-L236 PolarHBondContact O-N 2.71Å; R233-L236 PolarHBondContact O-N 3.21Å; T234-L236 PolarHBondContact O-N 3.17Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-E238 PolarHBondContact O-N 3.21Å; L236-T239 PolarHBondContact O-N 3.28Å; L236-I240 VanDerWaalsContact O-CG1 3.3Å; L236-I240 WeakPolarHBondContact O-CG1 3.29Å; L236-I240 PolarHBondContact O-N 2.93Å
237	E	60.6	Low	65.2	Low	46 Å²	46	90.4 Å²	90.4	22%	0.215	42%	0.423	C	S	.	.	H	α-helix	trans	-59.5	-44.6	174.6	-75.8	-174.8	-161.4	0	0	111.4	R233 T234 I240 E241 K373	R233-E237 IonicContact CZ-OE1 2.87Å; R233-E237 IonicContact NE-OE1 2.91Å; R233-E237 PolarHBondContact NE-OE1 3.48Å; R233-E237 IonicContact NH2-OE1 3.07Å; R233-E237 PolarHBondContact NH2-OE1 2.88Å; R233-E237 VanDerWaalsContact NH2-OE1 3.16Å; R233-E237 WeakPolarHBondContact O-CB 3.28Å; R233-E237 WeakPolarHBondContact O-CG 3.47Å; R233-E237 PolarHBondContact O-N 2.75Å; T234-E237 PolarHBondContact O-N 3.16Å; E237-I240 PolarHBondContact O-N 3.41Å; E237-E241 WeakPolarHBondContact O-CB 3.48Å; E237-E241 PolarHBondContact O-N 2.89Å; E237-K373 IonicContact OE2-NZ 3.48Å; E237-K373 PolarHBondContact OE2-NZ 3.49Å
238	E	69.8	Low	64.2	Low	100 Å²	100	87.7 Å²	87.7	47%	0.467	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.8	-72.8	176.3	177.2	0	0	112.5	T234 H235 L236 E241 Q242	T234-E238 WeakPolarHBondContact O-CG 3.31Å; T234-E238 PolarHBondContact O-N 3.5Å; H235-E238 PolarHBondContact O-N 2.91Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-E238 PolarHBondContact O-N 3.21Å; E238-E241 PolarHBondContact O-N 3.19Å; E238-Q242 WeakPolarHBondContact O-CG 3.44Å; E238-Q242 PolarHBondContact O-N 3.2Å
239	T	66.9	Low	63.5	Low	50 Å²	50	86.5 Å²	86.5	31%	0.307	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-43.5	179.3	-56.8	0	0	0	0	111.2	H235 L236 E241 Q242 L243	H235-T239 WeakPolarHBondContact O-CB 3.39Å; H235-T239 PolarHBondContact O-N 2.75Å; H235-T239 PolarHBondContact O-OG1 3.27Å; L236-T239 PolarHBondContact O-N 3.28Å; T239-E241 VanDerWaalsContact C-N 3.33Å; T239-E241 PolarHBondContact O-N 2.94Å; T239-Q242 PolarHBondContact O-N 2.86Å; T239-L243 HydrophobicContact CG2-CD1 4.29Å; T239-L243 WeakPolarHBondContact O-CG 3.48Å; T239-L243 PolarHBondContact O-N 3Å
240	I	64.3	Low	63.3	Low	44 Å²	44	87.4 Å²	87.4	23%	0.226	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-40.9	175.3	-66.2	166.9	0	0	0	110.5	L236 E237 L243 A244 W369 I535	L236-I240 VanDerWaalsContact O-CG1 3.3Å; L236-I240 WeakPolarHBondContact O-CG1 3.29Å; L236-I240 PolarHBondContact O-N 2.93Å; E237-I240 PolarHBondContact O-N 3.41Å; I240-L243 PolarHBondContact O-N 3.18Å; I240-A244 WeakPolarHBondContact O-CB 3.2Å; I240-A244 PolarHBondContact O-N 3.26Å; I240-W369 HydrophobicContact CD1-CZ2 4.22Å; I240-W369 VanDerWaalsContact CG2-CD1 3.5Å; I240-W369 HydrophobicContact CG2-CG 4.3Å; I240-I535 HydrophobicContact CG2-CG2 4.09Å
241	E	62.6	Low	62.6	Low	91 Å²	91	83.3 Å²	83.3	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-39.9	177.2	-166.2	-177.2	155.1	0	0	112	E237 E238 T239 A244 K245	E237-E241 WeakPolarHBondContact O-CB 3.48Å; E237-E241 PolarHBondContact O-N 2.89Å; E238-E241 PolarHBondContact O-N 3.19Å; T239-E241 VanDerWaalsContact C-N 3.33Å; T239-E241 PolarHBondContact O-N 2.94Å; E241-A244 PolarHBondContact O-N 3.48Å; E241-K245 HydrophobicContact CG-CD 4.48Å; E241-K245 WeakPolarHBondContact O-CB 3.22Å; E241-K245 WeakPolarHBondContact O-CG 3.27Å; E241-K245 PolarHBondContact O-N 3.01Å; E241-K245 WeakPolarHBondContact OE1-CE 3.11Å; E241-K245 IonicContact OE1-NZ 2.77Å; E241-K245 PolarHBondContact OE1-NZ 3.1Å
242	Q	64.1	Low	61.8	Low	117 Å²	117	84 Å²	84	55%	0.547	41%	0.406	S	S	.	.	H	α-helix	trans	-63.6	-44.7	174.2	-74.7	-178.7	10.7	0	0	111.9	E238 T239 A244 K245 Q246	E238-Q242 WeakPolarHBondContact O-CG 3.44Å; E238-Q242 PolarHBondContact O-N 3.2Å; T239-Q242 PolarHBondContact O-N 2.86Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 2.89Å; Q242-K245 PolarHBondContact O-N 3.3Å; Q242-Q246 WeakPolarHBondContact O-CG 3.26Å; Q242-Q246 PolarHBondContact O-N 2.9Å
243	L	61.7	Low	61.6	Low	89 Å²	89	83.5 Å²	83.5	47%	0.466	42%	0.415	S	S	.	.	H	α-helix	trans	-59.8	-43.5	175.2	-79.6	164.7	0	0	0	111.7	T239 I240 Q246 H247	T239-L243 HydrophobicContact CG2-CD1 4.29Å; T239-L243 WeakPolarHBondContact O-CG 3.48Å; T239-L243 PolarHBondContact O-N 3Å; I240-L243 PolarHBondContact O-N 3.18Å; L243-Q246 PolarHBondContact O-N 3.25Å; L243-H247 WeakPolarHBondContact O-CB 3.4Å; L243-H247 PolarHBondContact O-N 2.78Å
244	A	51.3	Low	60.6	Low	8 Å²	8	86.2 Å²	86.2	7%	0.066	43%	0.425	C	S	.	.	H	α-helix	trans	-63.4	-41.2	176.1	0	0	0	0	0	112.3	I240 E241 Q242 H247 N248 N367	I240-A244 WeakPolarHBondContact O-CB 3.2Å; I240-A244 PolarHBondContact O-N 3.26Å; E241-A244 PolarHBondContact O-N 3.48Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 2.89Å; A244-H247 PolarHBondContact O-N 2.86Å; A244-N248 PolarHBondContact O-N 2.76Å; A244-N248 PolarHBondContact O-ND2 3.03Å; A244-N367 WeakPolarHBondContact CB-ND2 3.49Å
245	K	58	Low	59.6	Low	123 Å²	123	89.7 Å²	89.7	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-43.5	175.2	-75.7	171.7	-176.6	165.5	0	112	E241 Q242 N248 S249	E241-K245 HydrophobicContact CG-CD 4.48Å; E241-K245 WeakPolarHBondContact O-CB 3.22Å; E241-K245 WeakPolarHBondContact O-CG 3.27Å; E241-K245 PolarHBondContact O-N 3.01Å; E241-K245 WeakPolarHBondContact OE1-CE 3.11Å; E241-K245 IonicContact OE1-NZ 2.77Å; E241-K245 PolarHBondContact OE1-NZ 3.1Å; Q242-K245 PolarHBondContact O-N 3.3Å; K245-N248 PolarHBondContact O-N 3.11Å; K245-S249 PolarHBondContact O-N 2.83Å
246	Q	62.9	Low	58.2	Low	118 Å²	118	91.2 Å²	91.2	55%	0.551	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-44.5	176.4	-75	-179.1	-20.6	0	0	111.3	Q242 L243 S249 L250	Q242-Q246 WeakPolarHBondContact O-CG 3.26Å; Q242-Q246 PolarHBondContact O-N 2.9Å; L243-Q246 PolarHBondContact O-N 3.25Å; Q246-S249 WeakPolarHBondContact O-CB 3.37Å; Q246-S249 PolarHBondContact O-N 2.89Å; Q246-L250 PolarHBondContact O-N 3.28Å
247	H	54.5	Low	57.1	Low	68 Å²	68	89 Å²	89	32%	0.315	43%	0.434	S	S	.	.	H	α-helix	trans	-59.9	-47.6	176.8	-169.3	78.6	0	0	0	112.3	L243 A244 S249 L250 E251	L243-H247 WeakPolarHBondContact O-CB 3.4Å; L243-H247 PolarHBondContact O-N 2.78Å; A244-H247 PolarHBondContact O-N 2.86Å; H247-S249 VanDerWaalsContact C-N 3.28Å; H247-S249 PolarHBondContact O-N 3.22Å; H247-L250 WeakPolarHBondContact O-CB 3.44Å; H247-L250 PolarHBondContact O-N 2.78Å; H247-E251 PolarHBondContact O-N 3.44Å
248	N	49.8	Very low	56.1	Low	31 Å²	31	92.3 Å²	92.3	17%	0.166	46%	0.46	C	S	.	.	H	α-helix	trans	-62	-34.5	176.3	-76.4	-29.7	0	0	0	112.7	A244 K245 R252	A244-N248 PolarHBondContact O-N 2.76Å; A244-N248 PolarHBondContact O-ND2 3.03Å; K245-N248 PolarHBondContact O-N 3.11Å; N248-R252 PolarHBondContact O-N 3.05Å; N248-R252 VanDerWaalsContact O-N 3.11Å
249	S	58.5	Low	54.5	Low	64 Å²	64	94.1 Å²	94.1	45%	0.448	48%	0.478	S	S	.	.	H	α-helix	trans	-68.6	-40.8	175.4	-168.9	0	0	0	0	112.1	K245 Q246 H247 R252 A253	K245-S249 PolarHBondContact O-N 2.83Å; Q246-S249 WeakPolarHBondContact O-CB 3.37Å; Q246-S249 PolarHBondContact O-N 2.89Å; H247-S249 VanDerWaalsContact C-N 3.28Å; H247-S249 PolarHBondContact O-N 3.22Å; S249-R252 PolarHBondContact O-N 2.74Å; S249-A253 WeakPolarHBondContact O-CB 3.21Å; S249-A253 PolarHBondContact O-N 2.78Å
250	L	61.7	Low	52.9	Low	124 Å²	124	100.5 Å²	100.5	65%	0.649	50%	0.503	S	S	*	.	H	α-helix	trans	-64.2	-40.6	174.5	-91	142.5	0	0	0	111.5	Q246 H247 A253 W254	Q246-L250 PolarHBondContact O-N 3.28Å; H247-L250 WeakPolarHBondContact O-CB 3.44Å; H247-L250 PolarHBondContact O-N 2.78Å; L250-A253 PolarHBondContact O-N 2.86Å; L250-W254 WeakPolarHBondContact O-CB 3.47Å; L250-W254 PolarHBondContact O-N 3.31Å
251	E	54.1	Low	51.6	Low	59 Å²	59	103 Å²	103	28%	0.276	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-41.7	177.5	-163.2	-173.9	166.8	0	0	112	H247 W254 R255	H247-E251 PolarHBondContact O-N 3.44Å; E251-W254 PolarHBondContact O-N 2.67Å; E251-R255 WeakPolarHBondContact O-CG 3.2Å; E251-R255 PolarHBondContact O-N 3.03Å; E251-R255 VanDerWaalsContact O-N 3.08Å; E251-R255 IonicContact OE1-CZ 3.7Å; E251-R255 IonicContact OE1-NE 3.31Å; E251-R255 PolarHBondContact OE1-NE 3.11Å; E251-R255 IonicContact OE1-NH2 3.73Å; E251-R255 PolarHBondContact OE1-NH2 2.93Å
252	R	56.8	Low	50.1	Low	119 Å²	119	104 Å²	104	45%	0.449	55%	0.548	S	S	.	.	H	α-helix	trans	-62.7	-46	173.6	-99.7	-179.1	-82.1	106.6	-1.5	112.3	N248 S249 W254 R255 E256	N248-R252 PolarHBondContact O-N 3.05Å; N248-R252 VanDerWaalsContact O-N 3.11Å; S249-R252 PolarHBondContact O-N 2.74Å; R252-W254 PolarHBondContact O-N 3.26Å; R252-R255 PolarHBondContact O-N 2.84Å; R252-R255 VanDerWaalsContact O-N 3.16Å; R252-E256 WeakPolarHBondContact O-CG 3.47Å; R252-E256 PolarHBondContact O-N 2.77Å
253	A	62.5	Low	48.5	Very low	63 Å²	63	103.7 Å²	103.7	52%	0.521	56%	0.559	S	S	.	*	H	α-helix	trans	-62.4	-31.7	177.8	0	0	0	0	0	112.8	S249 L250	S249-A253 WeakPolarHBondContact O-CB 3.21Å; S249-A253 PolarHBondContact O-N 2.78Å; L250-A253 PolarHBondContact O-N 2.86Å
254	W	47	Very low	47	Very low	202 Å²	202	106 Å²	106	77%	0.765	58%	0.577	S	S	*	*	H	α-helix	trans	-72.3	-38.4	174.6	-173.7	80.1	0	0	0	112.7	L250 E251 R252	L250-W254 WeakPolarHBondContact O-CB 3.47Å; L250-W254 PolarHBondContact O-N 3.31Å; E251-W254 PolarHBondContact O-N 2.67Å; R252-W254 PolarHBondContact O-N 3.26Å
255	R	47.8	Very low	46.1	Very low	146 Å²	146	111 Å²	111	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-71.5	-30	177.7	-71.4	-179.9	-174.8	-100.7	3.4	113.6	E251 R252 A257	E251-R255 WeakPolarHBondContact O-CG 3.2Å; E251-R255 PolarHBondContact O-N 3.03Å; E251-R255 VanDerWaalsContact O-N 3.08Å; E251-R255 IonicContact OE1-CZ 3.7Å; E251-R255 IonicContact OE1-NE 3.31Å; E251-R255 PolarHBondContact OE1-NE 3.11Å; E251-R255 IonicContact OE1-NH2 3.73Å; E251-R255 PolarHBondContact OE1-NH2 2.93Å; R252-R255 PolarHBondContact O-N 2.84Å; R252-R255 VanDerWaalsContact O-N 3.16Å; R255-A257 VanDerWaalsContact C-N 3.31Å
256	E	43.7	Very low	44.7	Very low	151 Å²	151	110.5 Å²	110.5	71%	0.706	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-1.1	179.9	-70	173.2	-172	0	0	113.4	R252 P258	R252-E256 WeakPolarHBondContact O-CG 3.47Å; R252-E256 PolarHBondContact O-N 2.77Å; E256-P258 WeakPolarHBondContact O-CD 3.45Å
257	A	40.9	Very low	43.1	Very low	57 Å²	57	109.3 Å²	109.3	47%	0.471	63%	0.631	S	S	.	*	S	Bend	trans	-72.6	121.5	176.1	0	0	0	0	0	110.7	R255 T259	R255-A257 VanDerWaalsContact C-N 3.31Å; A257-T259 PolarHBondContact O-N 2.81Å
258	P	38.6	Very low	42.1	Very low	115 Å²	115	111.6 Å²	111.6	75%	0.747	65%	0.652	S	S	*	*			trans	-67.2	118.2	179.4	-14.8	27.8	0	0	0	110.6	E256 H260	E256-P258 WeakPolarHBondContact O-CD 3.45Å; P258-H260 PolarHBondContact O-N 3.34Å
259	T	36.8	Very low	41	Very low	138 Å²	138	115.9 Å²	115.9	85%	0.847	68%	0.679	S	S	*	*			trans	-68.2	102.5	168.1	50.8	0	0	0	0	109.3	A257 A261	A257-T259 PolarHBondContact O-N 2.81Å; T259-A261 PolarHBondContact O-N 2.79Å
260	H	34.2	Very low	39.4	Very low	183 Å²	183	119 Å²	119	85%	0.847	70%	0.696	S	S	*	*			trans	-67.1	101	164.6	-87.8	-75.2	0	0	0	109.2	P258	P258-H260 PolarHBondContact O-N 3.34Å
261	A	36.2	Very low	37.7	Very low	97 Å²	97	117.8 Å²	117.8	80%	0.802	70%	0.697	S	S	*	*			trans	-66.4	133	158.6	0	0	0	0	0	109.2	T259	T259-A261 PolarHBondContact O-N 2.79Å
262	S	31.5	Very low	36.4	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	73%	0.727	S	S	*	*			trans	-138.5	109.3	160.4	54.1	0	0	0	0	111.2
263	S	30.8	Very low	35	Very low	110 Å²	110	130 Å²	130	77%	0.769	75%	0.749	S	S	*	*			trans	-49.2	141.6	162.1	47	0	0	0	0	113.5
264	T	29.2	Very low	33.2	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	76%	0.757	S	S	*	*			trans	-55.4	147.9	158.2	21.9	0	0	0	0	111.6
265	P	33.4	Very low	32.2	Very low	112 Å²	112	130.9 Å²	130.9	73%	0.727	76%	0.762	S	S	*	*				-148.8	147.4	98.8	35.6	-16.9	0	0	0	116.9
266	S	27.4	Very low	31.3	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	78%	0.781	S	S	*	*			trans	44.8	127.4	146	53.8	0	0	0	0	122.9
267	A	29.5	Very low	30.5	Very low	93 Å²	93	135.3 Å²	135.3	77%	0.769	79%	0.787	S	S	*	*			trans	-71.8	169.4	167.5	0	0	0	0	0	113.2
268	P	34	Very low	29.8	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	80%	0.799	S	S	*	*				-146.9	152.3	75.7	37	-17.1	0	0	0	118.2
269	T	25.9	Very low	29.2	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	81%	0.805	S	S	*	*			trans	53.3	119	143.7	55	0	0	0	0	122
270	T	25.2	Very low	28.8	Very low	130 Å²	130	143.6 Å²	143.6	80%	0.798	81%	0.805	S	S	*	*				162	126	93.7	-51.1	0	0	0	0	112.2
271	S	25.4	Very low	28.4	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	81%	0.805	S	S	*	*			trans	56.8	106.3	144.6	-179.4	0	0	0	0	121.5
272	Q	28.4	Very low	28.1	Very low	192 Å²	192	141.9 Å²	141.9	90%	0.897	80%	0.8	S	S	*	*				178.9	145.4	104.6	-96	-178.3	14	0	0	112.9
273	R	25.5	Very low	28	Very low	242 Å²	242	140.5 Å²	140.5	91%	0.913	79%	0.791	S	S	*	*			trans	-60.8	131.6	-179.7	176	-173.9	-173.4	176.5	2	114.2
274	S	26.2	Very low	27.9	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	79%	0.786	S	S	*	*				-171.5	130.2	128.3	-130.8	0	0	0	0	114.4
275	E	26.1	Very low	28.1	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	78%	0.781	S	S	*	*			trans	49.1	120.9	145	-66.4	175.5	172.4	0	0	122.7
276	R	27.9	Very low	28	Very low	250 Å²	250	144.4 Å²	144.4	94%	0.943	79%	0.787	S	S	*	*			trans	-71.5	131	171.4	-70.5	173	172	176.7	-4.2	111
277	V	27.3	Very low	28.4	Very low	140 Å²	140	147.7 Å²	147.7	85%	0.848	79%	0.79	S	S	*	*			trans	-135.3	122.9	151.3	178.1	0	0	0	0	108.1
278	S	26.8	Very low	28.8	Very low	103 Å²	103	151 Å²	151	72%	0.72	79%	0.794	S	S	*	*			trans	-61.1	129.4	175.8	32.6	0	0	0	0	111.6
279	K	26.5	Very low	28.8	Very low	202 Å²	202	149.8 Å²	149.8	88%	0.878	79%	0.788	S	S	*	*			trans	-94.4	100.8	169.7	-123.5	-179.4	178.9	-175.1	0	107.6
280	E	27	Very low	29.3	Very low	180 Å²	180	153.5 Å²	153.5	84%	0.841	80%	0.797	S	S	*	*			trans	-78.9	115	163.8	-74.4	173.3	159.6	0	0	107.8	A282	E280-A282 PolarHBondContact O-N 2.95Å
281	D	26.6	Very low	29.7	Very low	159 Å²	159	157.2 Å²	157.2	85%	0.85	80%	0.798	S	S	*	*			trans	-76.7	112.5	165.7	-82.1	-33.4	0	0	0	107.9
282	A	30	Very low	30.1	Very low	84 Å²	84	161.8 Å²	161.8	69%	0.694	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-89.5	121.5	178.9	0	0	0	0	0	110.2	E280	E280-A282 PolarHBondContact O-N 2.95Å
283	S	28.1	Very low	30.3	Very low	85 Å²	85	158.7 Å²	158.7	59%	0.594	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.3	135.7	169.3	53.5	0	0	0	0	111.6
284	D	30.1	Very low	30.6	Very low	126 Å²	126	151.1 Å²	151.1	67%	0.674	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-84.1	118.1	161.6	-89	-25.7	0	0	0	107
285	E	32.1	Very low	30.8	Very low	156 Å²	156	154.1 Å²	154.1	73%	0.729	79%	0.79	S	S	*	*			trans	-97	116	168.5	-70.3	-179.5	172	0	0	107.8
286	D	31.9	Very low	31.4	Very low	159 Å²	159	149 Å²	149	85%	0.85	77%	0.769	S	S	*	*			trans	-82.5	106.3	164.3	-84.4	-34.2	0	0	0	108	D288	D286-D288 PolarHBondContact O-N 3.21Å; D286-D288 VanDerWaalsContact O-N 3.1Å
287	E	35.6	Very low	31.7	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	76%	0.764	S	S	*	*			trans	-68	95.4	163.3	-79.2	177.9	152.5	0	0	108.4
288	D	37.7	Very low	32.4	Very low	162 Å²	162	139.9 Å²	139.9	87%	0.866	73%	0.73	S	S	*	*			trans	-178.9	76.7	147.6	-85.9	-26.2	0	0	0	108.3	D286	D286-D288 PolarHBondContact O-N 3.21Å; D286-D288 VanDerWaalsContact O-N 3.1Å
289	S	35.4	Very low	33.2	Very low	89 Å²	89	140.2 Å²	140.2	62%	0.622	73%	0.728	S	S	*	*			trans	-122.1	109.7	168.9	-67.3	0	0	0	0	109	Y291	S289-Y291 PolarHBondContact O-N 2.84Å
290	E	36.3	Very low	34.7	Very low	201 Å²	201	134.6 Å²	134.6	94%	0.939	70%	0.704	S	S	*	*			trans	-52.7	122.4	171.8	-73.3	175.8	154.1	0	0	110.3	F292	E290-F292 PolarHBondContact O-N 2.66Å
291	Y	32	Very low	36.7	Very low	207 Å²	207	128.7 Å²	128.7	81%	0.812	68%	0.676	S	S	*	*			trans	-65.3	123.8	-177.6	-129.9	-101.6	0	0	0	110.3	S289	S289-Y291 PolarHBondContact O-N 2.84Å
292	F	33.8	Very low	39	Very low	193 Å²	193	125.1 Å²	125.1	85%	0.846	66%	0.656	S	S	*	*			trans	-116.5	110.8	159.4	-138	-93.7	0	0	0	107.2	E290 A294	E290-F292 PolarHBondContact O-N 2.66Å; F292-A294 PolarHBondContact O-N 3.39Å
293	D	33.6	Very low	41	Very low	128 Å²	128	124.3 Å²	124.3	68%	0.684	64%	0.643	S	S	*	*			trans	-63.8	86	163.4	-101.8	-14.8	0	0	0	107.4	M295	D293-M295 VanDerWaalsContact C-N 3.31Å; D293-M295 PolarHBondContact O-N 2.77Å
294	A	31.2	Very low	43.4	Very low	83 Å²	83	123.8 Å²	123.8	69%	0.686	64%	0.636	S	S	*	*			trans	-74.1	97.1	155.1	0	0	0	0	0	105.7	F292 D296	F292-A294 PolarHBondContact O-N 3.39Å; A294-D296 PolarHBondContact O-N 3.38Å
295	M	31.3	Very low	45.7	Very low	161 Å²	161	121.4 Å²	121.4	79%	0.793	63%	0.626	S	S	*	*			trans	-52.6	99	159.1	-85.7	-95	159.7	0	0	106.9	D293 E297	D293-M295 VanDerWaalsContact C-N 3.31Å; D293-M295 PolarHBondContact O-N 2.77Å; M295-E297 PolarHBondContact O-N 3.45Å
296	D	39.3	Very low	47.7	Very low	77 Å²	77	115 Å²	115	41%	0.412	60%	0.6	S	S	.	*			trans	-71.4	73.6	176.6	178.3	35.4	0	0	0	108.4	A294 S298 K617	A294-D296 PolarHBondContact O-N 3.38Å; D296-S298 PolarHBondContact O-N 2.98Å; D296-S298 WeakPolarHBondContact OD1-CB 3.4Å; D296-S298 PolarHBondContact OD1-OG 3.25Å; D296-S298 PolarHBondContact OD2-OG 3.07Å; D296-S298 VanDerWaalsContact OD2-OG 3.09Å; D296-K617 PolarHBondContact O-NZ 2.97Å
297	E	33.4	Very low	48.7	Very low	180 Å²	180	112.3 Å²	112.3	84%	0.841	59%	0.593	S	S	*	*			trans	-75.5	61.6	163.8	-74.1	-172.4	163.4	0	0	108.8	M295	M295-E297 PolarHBondContact O-N 3.45Å
298	S	41	Very low	49.2	Very low	19 Å²	19	112.4 Å²	112.4	13%	0.133	59%	0.594	C	S	.	*			trans	-92.6	128.3	171.1	57.3	0	0	0	0	110.4	D296 E300	D296-S298 PolarHBondContact O-N 2.98Å; D296-S298 WeakPolarHBondContact OD1-CB 3.4Å; D296-S298 PolarHBondContact OD1-OG 3.25Å; D296-S298 PolarHBondContact OD2-OG 3.07Å; D296-S298 VanDerWaalsContact OD2-OG 3.09Å; S298-E300 PolarHBondContact O-N 2.82Å; S298-E300 WeakPolarHBondContact OG-CG 3.11Å
299	T	44.4	Very low	49.2	Very low	111 Å²	111	112.1 Å²	112.1	68%	0.681	59%	0.592	S	S	*	*			trans	-69.7	78.1	157.4	-44.7	0	0	0	0	107.2	F301	T299-F301 PolarHBondContact O-N 2.87Å
300	E	58.4	Low	49.3	Very low	83 Å²	83	112.2 Å²	112.2	39%	0.388	60%	0.599	S	S	.	*			trans	-64.5	120.7	174.4	-66	-165.6	132	0	0	108.9	S298 K619	S298-E300 PolarHBondContact O-N 2.82Å; S298-E300 WeakPolarHBondContact OG-CG 3.11Å; E300-K619 HydrophobicContact CB-CD 3.95Å; E300-K619 HydrophobicContact CB-CG 4.14Å; E300-K619 VanDerWaalsContact O-CA 3.28Å; E300-K619 WeakPolarHBondContact O-CA 3.17Å; E300-K619 VanDerWaalsContact O-CB 3.29Å; E300-K619 WeakPolarHBondContact O-CB 3.24Å; E300-K619 WeakPolarHBondContact O-CG 3.49Å; E300-K619 WeakPolarHBondContact OE2-CE 3.35Å; E300-K619 IonicContact OE2-NZ 3.15Å; E300-K619 PolarHBondContact OE2-NZ 3.43Å
301	F	68.4	Low	49.4	Very low	56 Å²	56	111.4 Å²	111.4	25%	0.246	60%	0.595	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	150.3	172.1	63.5	-96.5	0	0	0	110.8	T299 T303 V579 I590 T620 Y622	T299-F301 PolarHBondContact O-N 2.87Å; F301-T303 HydrophobicContact CD2-CG2 4.04Å; F301-T303 HydrophobicContact CE2-CG2 3.98Å; F301-V579 HydrophobicContact CD1-CG2 4.26Å; F301-V579 HydrophobicContact CE1-CG2 3.72Å; F301-V579 HydrophobicContact CZ-CG2 4.13Å; F301-I590 HydrophobicContact CD2-CD1 4.25Å; F301-I590 HydrophobicContact CE2-CD1 3.94Å; F301-I590 HydrophobicContact CE2-CG1 4.36Å; F301-I590 HydrophobicContact CE2-CG2 3.6Å; F301-I590 HydrophobicContact CZ-CD1 4.21Å; F301-I590 HydrophobicContact CZ-CG2 3.97Å; F301-T620 CarbonylContact C-O 3.52Å; F301-T620 WeakPolarHBondContact CA-O 3.37Å; F301-T620 VanDerWaalsContact CB-O 3.28Å; F301-T620 WeakPolarHBondContact CB-O 3.4Å; F301-Y622 HydrophobicContact CB-CD2 3.84Å; F301-Y622 HydrophobicContact CB-CE2 3.7Å; F301-Y622 AromaticContact CD2-CD2 3.91Å; F301-Y622 HydrophobicContact CD2-CD2 3.91Å; F301-Y622 HydrophobicContact CD2-CE2 4.25Å; F301-Y622 HydrophobicContact CG-CD2 4.02Å; F301-Y622 AromaticContact CG-CE2 3.93Å; F301-Y622 HydrophobicContact CG-CE2 3.93Å
302	I	74.6	Confident	49.6	Very low	84 Å²	84	110.5 Å²	110.5	43%	0.431	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.6	125.1	177.9	-58.8	174.5	0	0	0	107.7	V304 K619 T620 V621 Y622	I302-V304 HydrophobicContact CG2-CG2 4.41Å; I302-K619 HydrophobicContact CD1-CD 4.21Å; I302-K619 HydrophobicContact CG1-CD 4.47Å; I302-T620 PolarHBondContact N-O 2.88Å; I302-V621 HydrophobicContact CB-CG1 4.49Å; I302-V621 HydrophobicContact CB-CG2 4.32Å; I302-V621 CarbonylContact O-C 3.6Å; I302-V621 WeakPolarHBondContact O-CA 3.14Å; I302-Y622 PolarHBondContact O-N 3.44Å
303	T	71.9	Confident	49.7	Very low	68 Å²	68	111.3 Å²	111.3	42%	0.417	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.6	130	173.4	51.2	0	0	0	0	111.1	F301 I590 Y622 T624	F301-T303 HydrophobicContact CD2-CG2 4.04Å; F301-T303 HydrophobicContact CE2-CG2 3.98Å; T303-I590 HydrophobicContact CG2-CB 4.22Å; T303-I590 HydrophobicContact CG2-CG1 3.97Å; T303-I590 HydrophobicContact CG2-CG2 3.86Å; T303-Y622 CarbonylContact C-O 3.54Å; T303-Y622 WeakPolarHBondContact CA-O 3.43Å; T303-T624 HydrophobicContact CG2-CG2 4.42Å
304	V	79.1	Confident	49.6	Very low	73 Å²	73	116.7 Å²	116.7	44%	0.442	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	117.5	172.8	-177.6	0	0	0	0	108.5	I302 A306 V621 Y622 Q623 T624	I302-V304 HydrophobicContact CG2-CG2 4.41Å; V304-A306 PolarHBondContact O-N 2.91Å; V304-V621 HydrophobicContact CG2-CG1 3.97Å; V304-Y622 PolarHBondContact N-O 3.33Å; V304-Q623 CarbonylContact O-C 3.59Å; V304-Q623 VanDerWaalsContact O-CA 3.29Å; V304-Q623 WeakPolarHBondContact O-CA 3.4Å; V304-T624 PolarHBondContact O-N 2.75Å
305	T	79.3	Confident	49.5	Very low	76 Å²	76	118.1 Å²	118.1	47%	0.466	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.5	126.8	175	-46.1	0	0	0	0	109.3	S307 T624 P626	T305-S307 PolarHBondContact O-N 2.89Å; T305-T624 WeakPolarHBondContact CA-O 3.37Å; T305-P626 HydrophobicContact CG2-CG 4.34Å
306	A	73.5	Confident	49.6	Very low	23 Å²	23	119.7 Å²	119.7	19%	0.19	62%	0.622	C	S	.	*	P	Polyproline II helix	trans	-66.1	120.1	174	0	0	0	0	0	109.6	V304 I605 Q623 T624	V304-A306 PolarHBondContact O-N 2.91Å; A306-I605 HydrophobicContact CB-CD1 3.95Å; A306-Q623 HydrophobicContact CB-CG 4.08Å; A306-T624 PolarHBondContact N-O 2.85Å
307	S	51.7	Low	49.2	Very low	101 Å²	101	121.6 Å²	121.6	71%	0.706	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-77.2	137	173.1	-165.3	0	0	0	0	109.5	T305 N309	T305-S307 PolarHBondContact O-N 2.89Å; S307-N309 PolarHBondContact O-N 2.8Å
308	E	47.3	Very low	49.2	Very low	186 Å²	186	120.2 Å²	120.2	87%	0.869	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	3.2	-172.9	-70.5	-175.7	147.6	0	0	116.1
309	N	37.8	Very low	48.7	Very low	155 Å²	155	127.1 Å²	127.1	83%	0.829	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	18.6	-173	-83.6	-17.6	0	0	0	116.3	S307	S307-N309 PolarHBondContact O-N 2.8Å
310	A	38.1	Very low	48.1	Very low	92 Å²	92	127.1 Å²	127.1	76%	0.76	68%	0.679	S	S	*	*	S	Bend	trans	-104.2	12.8	-178.5	0	0	0	0	0	116.1
311	Q	36.6	Very low	46.6	Very low	183 Å²	183	127.1 Å²	127.1	86%	0.855	70%	0.701	S	S	*	*	S	Bend	trans	-120	13.5	178.4	-77.4	-166.8	-5.8	0	0	116.9
312	H	37.5	Very low	44.9	Very low	188 Å²	188	129.3 Å²	129.3	87%	0.87	73%	0.729	S	S	*	*			trans	-120.2	90.2	169.4	-86	-65.7	0	0	0	112.3
313	K	35.2	Very low	42.5	Very low	210 Å²	210	133.3 Å²	133.3	91%	0.913	75%	0.75	S	S	*	*			trans	-178.7	89.5	140.2	-100.4	168.8	-170.1	-179.1	0	111.8
314	R	31.2	Very low	40.4	Very low	242 Å²	242	133.9 Å²	133.9	91%	0.913	77%	0.77	S	S	*	*	S	Bend		-166.7	116	129	-125.1	174.6	170.5	169.9	-3.7	113
315	S	30.2	Very low	38	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	79%	0.786	S	S	*	*			trans	65.5	111.5	147.8	-57.9	0	0	0	0	121
316	Q	33.3	Very low	35.5	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	81%	0.807	S	S	*	*			trans	-50.1	135.6	155.4	-66.9	172.5	-6.5	0	0	112.3
317	S	31.4	Very low	33.4	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	84%	0.835	S	S	*	*				-163.1	139.9	125.3	51.5	0	0	0	0	110.2
318	N	33.2	Very low	32.3	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	83%	0.834	S	S	*	*			trans	-71	140.9	-175.1	-58.5	-43.2	0	0	0	111.8
319	L	29.8	Very low	31.4	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	83%	0.826	S	S	*	*				173.2	128.4	119.8	-109.8	85.9	0	0	0	111.7
320	S	30.9	Very low	31.5	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	82%	0.821	S	S	*	*			trans	2.8	134	156.5	56.5	0	0	0	0	121.8
321	G	26.9	Very low	31.3	Very low	82 Å²	82	146.8 Å²	146.8	85%	0.845	83%	0.825	S	S	*	*			trans	170.1	97.5	155.5	0	0	0	0	0	112.7
322	A	32.8	Very low	31.1	Very low	103 Å²	103	146.1 Å²	146.1	85%	0.851	82%	0.821	S	S	*	*			trans	-70.8	121.7	-178.7	0	0	0	0	0	112.9
323	I	25.9	Very low	30.8	Very low	167 Å²	167	146.3 Å²	146.3	86%	0.856	82%	0.823	S	S	*	*			trans	-147.9	104.9	146.3	-59.9	-174.8	0	0	0	106.3	S325	I323-S325 PolarHBondContact O-N 3.39Å
324	G	26.1	Very low	30.8	Very low	81 Å²	81	143.8 Å²	143.8	84%	0.835	82%	0.819	S	S	*	*			trans	-78.4	106.4	177.7	0	0	0	0	0	111
325	S	29.3	Very low	31.1	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-74.7	123	162.8	172.5	0	0	0	0	108.5	I323 A327	I323-S325 PolarHBondContact O-N 3.39Å; S325-A327 PolarHBondContact O-N 2.73Å
326	Q	27.8	Very low	31.1	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-55.4	119.8	172.8	-82.7	173.4	-20.1	0	0	110.4
327	A	27.6	Very low	30.9	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.2	124.5	156.1	0	0	0	0	0	106.8	S325 D329	S325-A327 PolarHBondContact O-N 2.73Å; A327-D329 PolarHBondContact O-N 2.79Å
328	S	28.7	Very low	31.2	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	81%	0.814	S	S	*	*			trans	-64.3	115.3	177.2	51.1	0	0	0	0	110.2	W330	S328-W330 PolarHBondContact O-N 2.71Å
329	D	29.8	Very low	31	Very low	129 Å²	129	139.7 Å²	139.7	69%	0.69	81%	0.807	S	S	*	*			trans	-69.5	105	179.3	-155.7	8.3	0	0	0	110	A327	A327-D329 PolarHBondContact O-N 2.79Å
330	W	39.6	Very low	31.6	Very low	195 Å²	195	136.3 Å²	136.3	74%	0.739	80%	0.796	S	S	*	*			trans	-125.8	13	173.7	-80.8	105.1	0	0	0	112.7	S328	S328-W330 PolarHBondContact O-N 2.71Å
331	D	32.9	Very low	31.8	Very low	155 Å²	155	138 Å²	138	83%	0.829	80%	0.796	S	S	*	*			trans	-102.6	10.7	-171.4	-73.6	-31.1	0	0	0	114.6
332	Q	32.1	Very low	31.9	Very low	168 Å²	168	142 Å²	142	79%	0.785	80%	0.798	S	S	*	*			trans	-129	92.1	176.8	-85.1	168.9	33.7	0	0	112.1
333	E	32.1	Very low	32	Very low	193 Å²	193	142.5 Å²	142.5	90%	0.902	79%	0.79	S	S	*	*			trans	172.5	81	132.3	-94.7	176.5	-168.3	0	0	109.5
334	D	36.1	Very low	32.3	Very low	156 Å²	156	140.1 Å²	140.1	83%	0.834	79%	0.788	S	S	*	*			trans	-123.1	79	169.1	-120.7	-7.6	0	0	0	108.5
335	H	36.5	Very low	32.9	Very low	194 Å²	194	140.4 Å²	140.4	90%	0.898	78%	0.783	S	S	*	*			trans	-173.2	85	154.4	-83.7	-45.6	0	0	0	109
336	M	29.9	Very low	33.1	Very low	179 Å²	179	144.6 Å²	144.6	88%	0.882	79%	0.787	S	S	*	*			trans	-128.7	109.5	160.5	-92.2	-64.6	-168.4	0	0	110.5
337	S	28.7	Very low	33.5	Very low	92 Å²	92	139 Å²	139	64%	0.643	78%	0.78	S	S	*	*			trans	-65.2	153.7	156.8	-45.7	0	0	0	0	109.2	I339	S337-I339 VanDerWaalsContact C-N 3.3Å; S337-I339 PolarHBondContact O-N 3.01Å
338	P	38.2	Very low	34.1	Very low	138 Å²	138	142.9 Å²	142.9	90%	0.896	79%	0.787	S	S	*	*	S	Bend	trans	-77.7	82.2	178.7	32.1	-31.7	0	0	0	109.4
339	I	30.2	Very low	34.7	Very low	129 Å²	129	145.4 Å²	145.4	66%	0.662	79%	0.789	S	S	*	*			trans	-133.9	112.7	163.8	-61.7	-178.7	0	0	0	107.7	S337 N341	S337-I339 VanDerWaalsContact C-N 3.3Å; S337-I339 PolarHBondContact O-N 3.01Å; I339-N341 PolarHBondContact O-N 2.7Å
340	C	41.7	Very low	35.5	Very low	92 Å²	92	150 Å²	150	62%	0.622	80%	0.797	S	S	*	*			trans	-57.3	116.5	165.5	47.9	0	0	0	0	109.7
341	N	35.4	Very low	36.6	Very low	147 Å²	147	149.6 Å²	149.6	79%	0.786	80%	0.795	S	S	*	*			trans	-167.1	96.6	150.1	-94.8	-20.4	0	0	0	108.1	I339	I339-N341 PolarHBondContact O-N 2.7Å
342	D	28.8	Very low	38.5	Very low	165 Å²	165	147 Å²	147	88%	0.882	77%	0.774	S	S	*	*			trans	-137.6	135.6	143	-159.6	11.3	0	0	0	110.3
343	V	35	Very low	40.9	Very low	115 Å²	115	147.3 Å²	147.3	70%	0.697	78%	0.775	S	S	*	*			trans	-100.1	109.9	-162.3	177.7	0	0	0	0	108.2	A345	V343-A345 HydrophobicContact CG1-CB 4.23Å
344	S	31.9	Very low	43.7	Very low	116 Å²	116	140 Å²	140	81%	0.811	74%	0.742	S	S	*	*			trans	-108.8	99.4	148.6	-165.8	0	0	0	0	108.1	K346	S344-K346 VanDerWaalsContact C-N 3.29Å; S344-K346 PolarHBondContact O-N 3.15Å
345	A	38.4	Very low	46.5	Very low	87 Å²	87	135.1 Å²	135.1	72%	0.719	71%	0.711	S	S	*	*			trans	-67.3	85.2	175.9	0	0	0	0	0	110	V343	V343-A345 HydrophobicContact CG1-CB 4.23Å
346	K	34.4	Very low	49.3	Very low	202 Å²	202	130.9 Å²	130.9	88%	0.878	70%	0.699	S	S	*	*	S	Bend	trans	-168.1	97.2	153.4	-102.6	165.3	-168.8	-174.1	0	108.9	S344	S344-K346 VanDerWaalsContact C-N 3.29Å; S344-K346 PolarHBondContact O-N 3.15Å
347	G	35.2	Very low	52.4	Low	73 Å²	73	128.6 Å²	128.6	75%	0.753	69%	0.687	S	S	*	*			trans	101.1	70.6	172.4	0	0	0	0	0	114.2	M349	G347-M349 PolarHBondContact O-N 3.05Å
348	L	40	Very low	55.5	Low	177 Å²	177	124.8 Å²	124.8	93%	0.927	66%	0.659	S	S	*	*			trans	-71.1	76.4	170.6	-163.8	79.6	0	0	0	109.4	R350	L348-R350 PolarHBondContact O-N 3.41Å
349	M	42.3	Very low	58.2	Low	151 Å²	151	121.7 Å²	121.7	74%	0.744	64%	0.638	S	S	*	*			trans	-61.7	116.8	156.1	-76.2	-73.7	-170.5	0	0	105.9	G347 R351	G347-M349 PolarHBondContact O-N 3.05Å; M349-R351 PolarHBondContact O-N 3.36Å
350	R	46.7	Very low	61.1	Low	225 Å²	225	120.3 Å²	120.3	85%	0.849	63%	0.632	S	S	*	*			trans	-65.4	104.1	-179.5	-156.8	177.8	127	-175.1	0.4	106.6	L348 R352	L348-R350 PolarHBondContact O-N 3.41Å; R350-R352 PolarHBondContact O-N 2.92Å
351	R	62.4	Low	63.2	Low	187 Å²	187	119 Å²	119	71%	0.706	62%	0.616	S	S	*	*			trans	-47.7	127.2	175.3	-75.9	-174.7	-179.8	177.1	-0.2	108.4	M349 Q353	M349-R351 PolarHBondContact O-N 3.36Å; R351-Q353 PolarHBondContact O-N 3.46Å
352	R	71.9	Confident	65.2	Low	101 Å²	101	113.7 Å²	113.7	38%	0.381	59%	0.59	S	S	.	*			trans	-56.6	127.9	179.5	-176.3	175.2	173	170.1	-0.8	108.2	R350 H354 E655 P656 E657	R350-R352 PolarHBondContact O-N 2.92Å; R352-H354 PolarHBondContact O-N 3.31Å; R352-E655 IonicContact CZ-OE1 3.21Å; R352-E655 IonicContact NE-OE1 2.7Å; R352-E655 IonicContact NH2-OE1 3.69Å; R352-E655 PolarHBondContact NH2-OE1 3.03Å; R352-P656 PolarHBondContact NH2-O 3.33Å; R352-E657 IonicContact NH1-OE2 2.67Å; R352-E657 PolarHBondContact NH1-OE2 3.12Å
353	Q	83.3	Confident	67.1	Low	174 Å²	174	112.8 Å²	112.8	81%	0.813	59%	0.585	S	S	*	*			trans	-85.3	103.5	176.8	-174.8	174.3	5.1	0	0	107.7	R351	R351-Q353 PolarHBondContact O-N 3.46Å
354	H	91.7	Very high	68.6	Low	41 Å²	41	115 Å²	115	19%	0.19	58%	0.582	C	S	.	*			trans	-75.7	154.9	178.8	-57.8	-67.3	0	0	0	112	R352 E459 V652	R352-H354 PolarHBondContact O-N 3.31Å; H354-E459 IonicContact CD2-OE2 3.78Å; H354-E459 IonicContact CE1-OE1 2.7Å; H354-E459 PolarHBondContact CE1-OE1 2.91Å; H354-E459 VanDerWaalsContact CE1-OE1 3.26Å; H354-E459 IonicContact CE1-OE2 2.72Å; H354-E459 IonicContact NE2-OE1 3.91Å; H354-E459 PolarHBondContact NE2-OE1 3.1Å; H354-E459 IonicContact NE2-OE2 2.84Å; H354-E459 PolarHBondContact NE2-OE2 3.11Å; H354-V652 HydrophobicContact CB-CB 4.29Å; H354-V652 HydrophobicContact CB-CG1 3.52Å
355	R	94.4	Very high	69.8	Low	52 Å²	52	112.5 Å²	112.5	20%	0.196	57%	0.565	C	S	.	*			trans	-65.5	144.1	176.4	71.1	-174.7	-177.1	172	8.7	111.6	L651 V652 E655 E675	R355-L651 PolarHBondContact NE-O 3.38Å; R355-L651 PolarHBondContact NH2-O 3.4Å; R355-V652 HydrophobicContact CG-CG1 4.5Å; R355-V652 WeakPolarHBondContact O-CG1 3.36Å; R355-E655 HydrophobicContact CG-CB 4.36Å; R355-E655 HydrophobicContact CG-CG 4.36Å; R355-E655 WeakPolarHBondContact CG-OE2 3.4Å; R355-E655 PolarHBondContact N-OE2 3.19Å; R355-E675 IonicContact CZ-OE1 2.63Å; R355-E675 IonicContact CZ-OE2 2.79Å; R355-E675 VanDerWaalsContact NH1-CD 3.29Å; R355-E675 IonicContact NH1-OE1 2.71Å; R355-E675 PolarHBondContact NH1-OE1 3.12Å; R355-E675 IonicContact NH1-OE2 3.91Å; R355-E675 PolarHBondContact NH1-OE2 3.33Å; R355-E675 IonicContact NH2-OE1 3.44Å; R355-E675 IonicContact NH2-OE2 3.73Å; R355-E675 PolarHBondContact NH2-OE2 3.35Å
356	T	94.4	Very high	70.9	Confident	106 Å²	106	112.1 Å²	112.1	65%	0.65	55%	0.55	S	S	*	*			trans	-110.6	-2.9	177.4	55	0	0	0	0	113	L651	T356-L651 VanDerWaalsContact O-CD1 3.29Å; T356-L651 WeakPolarHBondContact O-CD1 3.4Å
357	Q	94.5	Very high	72.4	Confident	131 Å²	131	104.3 Å²	104.3	61%	0.612	52%	0.518	S	S	*	.			trans	-147.6	154.4	-177.7	-64.4	-176	-2	0	0	110.7	M643	Q357-M643 HydrophobicContact CB-SD 3.95Å; Q357-M643 HydrophobicContact CG-SD 4.14Å
358	I	94.9	Very high	73.9	Confident	12 Å²	12	102 Å²	102	6%	0.062	49%	0.488	C	S	.	.			trans	-127.3	163.9	168.2	59.3	172.7	0	0	0	108.5	P392 M643 Y644 F646 L651	I358-P392 HydrophobicContact CD1-CG 4.36Å; I358-M643 HydrophobicContact CD1-CB 4.25Å; I358-M643 HydrophobicContact CG1-CB 3.87Å; I358-M643 HydrophobicContact CG1-CG 3.84Å; I358-M643 HydrophobicContact CG1-SD 4.21Å; I358-Y644 HydrophobicContact CD1-CD2 4.07Å; I358-Y644 HydrophobicContact CD1-CE2 4.44Å; I358-F646 HydrophobicContact CD1-CD2 3.76Å; I358-F646 HydrophobicContact CD1-CE2 3.79Å; I358-L651 HydrophobicContact CB-CD2 4.44Å; I358-L651 HydrophobicContact CD1-CD2 4.29Å; I358-L651 HydrophobicContact CG1-CD2 3.88Å; I358-L651 HydrophobicContact CG2-CD2 4.02Å
359	P	93.9	Very high	75.2	Confident	72 Å²	72	94.9 Å²	94.9	47%	0.468	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-53.3	144.1	174.6	-26.9	36.7	0	0	0	112.5	K361 E675	P359-K361 PolarHBondContact O-N 3.04Å; P359-E675 WeakPolarHBondContact CG-O 3.4Å
360	D	91	Very high	76.4	Confident	100 Å²	100	90.8 Å²	90.8	54%	0.535	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.1	133.3	179.4	-74.4	-25.1	0	0	0	110.9	N639 N642	D360-N639 PolarHBondContact OD1-ND2 3.34Å; D360-N642 HydrophobicContact CB-CB 4.27Å; D360-N642 WeakPolarHBondContact OD1-CB 3.39Å
361	K	86.3	Confident	77.5	Confident	65 Å²	65	81.4 Å²	81.4	28%	0.283	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.7	142.4	171.5	82.8	-177.1	-177.7	64.3	0	109.1	P359 E641 N642 Y644	P359-K361 PolarHBondContact O-N 3.04Å; K361-E641 WeakPolarHBondContact CE-O 3.46Å; K361-N642 VanDerWaalsContact CB-O 3.32Å; K361-N642 WeakPolarHBondContact CB-O 3.35Å; K361-N642 WeakPolarHBondContact CG-O 3.37Å; K361-N642 PolarHBondContact N-O 3Å; K361-Y644 HydrophobicContact CB-CD1 4.38Å; K361-Y644 HydrophobicContact CB-CD2 4.11Å; K361-Y644 HydrophobicContact CB-CE1 3.84Å; K361-Y644 HydrophobicContact CB-CE2 3.52Å; K361-Y644 HydrophobicContact CB-CG 4.48Å; K361-Y644 WeakPolarHBondContact CB-OH 3.23Å; K361-Y644 HydrophobicContact CD-CD1 4.22Å; K361-Y644 HydrophobicContact CD-CE1 4.32Å; K361-Y644 HydrophobicContact CD-CG 4.44Å
362	P	76.9	Confident	77.7	Confident	36 Å²	36	72.7 Å²	72.7	23%	0.234	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-67.8	148.2	179.1	30.7	-37.5	0	0	0	111.6	Y364 W679	P362-Y364 HydrophobicContact CB-CD2 3.56Å; P362-Y364 HydrophobicContact CB-CE2 3.4Å; P362-Y364 VanDerWaalsContact CB-CE2 3.4Å; P362-Y364 HydrophobicContact CG-CD2 3.87Å; P362-Y364 HydrophobicContact CG-CE2 4.01Å; P362-Y364 PolarHBondContact O-N 3.27Å; P362-Y364 VanDerWaalsContact O-N 3.1Å; P362-W679 HydrophobicContact CG-CD2 4.44Å; P362-W679 HydrophobicContact CG-CH2 4.17Å; P362-W679 HydrophobicContact CG-CZ2 3.47Å; P362-W679 VanDerWaalsContact CG-CZ2 3.47Å
363	N	69.3	Low	77.5	Confident	146 Å²	146	70.9 Å²	70.9	78%	0.781	36%	0.364	S	S	*	.			trans	-87.7	72.8	-177.3	-166.9	9.3	0	0	0	111.5
364	Y	65.8	Low	76.5	Confident	160 Å²	160	67.1 Å²	67.1	63%	0.627	35%	0.35	S	S	*	.			trans	-116.7	132	172.9	-57.7	-68.5	0	0	0	110.8	P362 L366	P362-Y364 HydrophobicContact CB-CD2 3.56Å; P362-Y364 HydrophobicContact CB-CE2 3.4Å; P362-Y364 VanDerWaalsContact CB-CE2 3.4Å; P362-Y364 HydrophobicContact CG-CD2 3.87Å; P362-Y364 HydrophobicContact CG-CE2 4.01Å; P362-Y364 PolarHBondContact O-N 3.27Å; P362-Y364 VanDerWaalsContact O-N 3.1Å; Y364-L366 PolarHBondContact O-N 3.42Å
365	S	57.9	Low	75.1	Confident	65 Å²	65	65.2 Å²	65.2	46%	0.455	34%	0.341	S	S	.	.			trans	-75.4	113.2	170.4	57.5	0	0	0	0	109.3
366	L	62.6	Low	73.6	Confident	78 Å²	78	68 Å²	68	41%	0.408	36%	0.358	S	S	.	.			trans	-85.6	120.1	-179.2	-63.5	168.8	0	0	0	110.3	Y364 N388 F389	Y364-L366 PolarHBondContact O-N 3.42Å; L366-N388 WeakPolarHBondContact CD1-O 3.48Å; L366-N388 HydrophobicContact CD2-CB 3.72Å; L366-N388 WeakPolarHBondContact CD2-O 3.37Å; L366-F389 HydrophobicContact CB-CD1 4.03Å; L366-F389 HydrophobicContact CB-CE1 3.55Å; L366-F389 HydrophobicContact CB-CZ 3.9Å; L366-F389 HydrophobicContact CD1-CD1 4.17Å; L366-F389 HydrophobicContact CD2-CD1 4.49Å; L366-F389 HydrophobicContact CD2-CD2 4.3Å; L366-F389 HydrophobicContact CD2-CE1 4.37Å; L366-F389 HydrophobicContact CD2-CE2 4.11Å; L366-F389 HydrophobicContact CD2-CG 4.48Å; L366-F389 HydrophobicContact CD2-CZ 4.17Å; L366-F389 HydrophobicContact CG-CD1 4.47Å; L366-F389 HydrophobicContact CG-CE1 4.36Å
367	N	64.8	Low	71.9	Confident	39 Å²	39	66.7 Å²	66.7	21%	0.209	37%	0.366	C	S	.	.			trans	-95.5	95.8	173	-172.9	-5.1	0	0	0	110.8	A244 W369 S370	A244-N367 WeakPolarHBondContact CB-ND2 3.49Å; N367-W369 PolarHBondContact O-N 3.01Å; N367-W369 VanDerWaalsContact OD1-CB 3.3Å; N367-W369 WeakPolarHBondContact OD1-CB 3.37Å; N367-W369 PolarHBondContact OD1-N 3.04Å; N367-S370 PolarHBondContact O-N 2.93Å; N367-S370 PolarHBondContact O-OG 2.72Å
368	L	66.8	Low	70.5	Confident	23 Å²	23	66.8 Å²	66.8	12%	0.12	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27	-177.3	-164.9	66.7	0	0	0	113	S370 I371 M372 M385 F389 I534 L539	L368-S370 VanDerWaalsContact C-N 3.29Å; L368-S370 PolarHBondContact O-N 3.23Å; L368-I371 PolarHBondContact O-N 3.41Å; L368-M372 HydrophobicContact CD1-SD 4.34Å; L368-M372 HydrophobicContact CD2-SD 3.63Å; L368-M372 HydrophobicContact CG-CG 4.05Å; L368-M372 HydrophobicContact CG-SD 3.6Å; L368-M372 WeakPolarHBondContact O-CB 3.46Å; L368-M372 WeakPolarHBondContact O-CG 3.47Å; L368-M372 PolarHBondContact O-N 3.34Å; L368-M385 HydrophobicContact CD1-CE 3.45Å; L368-M385 VanDerWaalsContact CD1-CE 3.45Å; L368-F389 HydrophobicContact CB-CE1 3.96Å; L368-F389 HydrophobicContact CD1-CD1 3.43Å; L368-F389 VanDerWaalsContact CD1-CD1 3.43Å; L368-F389 HydrophobicContact CD1-CE1 3.51Å; L368-F389 HydrophobicContact CD1-CG 4.36Å; L368-F389 HydrophobicContact CG-CE1 4.35Å; L368-I534 HydrophobicContact CD2-CD1 3.52Å; L368-I534 HydrophobicContact CD2-CG2 4.16Å; L368-L539 HydrophobicContact CD2-CD1 4.23Å; L368-L539 HydrophobicContact CD2-CD2 4.4Å
369	W	67.4	Low	69.1	Low	28 Å²	28	71.2 Å²	71.2	11%	0.106	39%	0.385	C	S	.	.	H	α-helix	trans	-59.7	-37.7	177.7	177.9	-119.1	0	0	0	113.2	I240 N367 I371 M372 K373 I376 F498 I535	I240-W369 HydrophobicContact CD1-CZ2 4.22Å; I240-W369 VanDerWaalsContact CG2-CD1 3.5Å; I240-W369 HydrophobicContact CG2-CG 4.3Å; N367-W369 PolarHBondContact O-N 3.01Å; N367-W369 VanDerWaalsContact OD1-CB 3.3Å; N367-W369 WeakPolarHBondContact OD1-CB 3.37Å; N367-W369 PolarHBondContact OD1-N 3.04Å; W369-I371 PolarHBondContact O-N 3.05Å; W369-I371 VanDerWaalsContact O-N 3.11Å; W369-M372 PolarHBondContact O-N 2.84Å; W369-M372 VanDerWaalsContact O-N 3.12Å; W369-K373 HydrophobicContact CD2-CB 4.15Å; W369-K373 HydrophobicContact CE3-CB 4.38Å; W369-K373 HydrophobicContact CH2-CB 4.07Å; W369-K373 HydrophobicContact CZ2-CB 3.79Å; W369-K373 HydrophobicContact CZ3-CB 4.34Å; W369-K373 PolarHBondContact O-N 2.61Å; W369-I376 HydrophobicContact CH2-CD1 4.24Å; W369-F498 HydrophobicContact CZ3-CE1 4.19Å; W369-F498 HydrophobicContact CZ3-CZ 4.01Å; W369-I535 HydrophobicContact CD2-CB 4.43Å; W369-I535 HydrophobicContact CD2-CG1 4.39Å; W369-I535 HydrophobicContact CD2-CG2 3.76Å; W369-I535 HydrophobicContact CE3-CB 4.12Å; W369-I535 HydrophobicContact CE3-CD1 4.1Å; W369-I535 HydrophobicContact CE3-CG1 3.62Å; W369-I535 HydrophobicContact CE3-CG2 3.87Å; W369-I535 HydrophobicContact CG-CG2 4.12Å; W369-I535 HydrophobicContact CH2-CD1 4.08Å; W369-I535 HydrophobicContact CZ2-CG2 4.49Å; W369-I535 HydrophobicContact CZ3-CD1 3.65Å; W369-I535 HydrophobicContact CZ3-CG1 3.69Å; W369-I535 HydrophobicContact CZ3-CG2 4.27Å
370	S	68.2	Low	67.6	Low	65 Å²	65	68.7 Å²	68.7	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-55.9	-32.6	-179.1	65.2	0	0	0	0	112.7	N367 L368	N367-S370 PolarHBondContact O-N 2.93Å; N367-S370 PolarHBondContact O-OG 2.72Å; L368-S370 VanDerWaalsContact C-N 3.29Å; L368-S370 PolarHBondContact O-N 3.23Å
371	I	68.1	Low	66.2	Low	28 Å²	28	66 Å²	66	14%	0.144	36%	0.357	C	S	.	.	H	α-helix	trans	-88.8	-45	176.1	-58.8	161.7	0	0	0	110.2	L368 W369 K373 C375 I383 M385 P386 F389	L368-I371 PolarHBondContact O-N 3.41Å; W369-I371 PolarHBondContact O-N 3.05Å; W369-I371 VanDerWaalsContact O-N 3.11Å; I371-K373 PolarHBondContact O-N 3.01Å; I371-C375 PolarHBondContact O-SG 2.88Å; I371-I383 HydrophobicContact CG2-CG2 4.46Å; I371-M385 HydrophobicContact CD1-CE 3.9Å; I371-M385 HydrophobicContact CD1-SD 4.37Å; I371-M385 HydrophobicContact CG2-CE 4.45Å; I371-M385 HydrophobicContact CG2-SD 3.74Å; I371-P386 HydrophobicContact CD1-CG 3.89Å; I371-F389 HydrophobicContact CD1-CD2 3.52Å; I371-F389 HydrophobicContact CD1-CE1 4.22Å; I371-F389 HydrophobicContact CD1-CE2 3.2Å; I371-F389 HydrophobicContact CD1-CG 4.17Å; I371-F389 HydrophobicContact CD1-CZ 3.58Å; I371-F389 HydrophobicContact CG1-CE2 4.43Å
372	M	67	Low	65.1	Low	4 Å²	4	69.6 Å²	69.6	2%	0.02	37%	0.372	C	S	.	.	H	α-helix	trans	-73.9	-19.3	-170.8	-70.8	-165.9	61.2	0	0	115	L368 W369 N374 C375 L380 F498 L503 I534	L368-M372 HydrophobicContact CD1-SD 4.34Å; L368-M372 HydrophobicContact CD2-SD 3.63Å; L368-M372 HydrophobicContact CG-CG 4.05Å; L368-M372 HydrophobicContact CG-SD 3.6Å; L368-M372 WeakPolarHBondContact O-CB 3.46Å; L368-M372 WeakPolarHBondContact O-CG 3.47Å; L368-M372 PolarHBondContact O-N 3.34Å; W369-M372 PolarHBondContact O-N 2.84Å; W369-M372 VanDerWaalsContact O-N 3.12Å; M372-N374 PolarHBondContact O-N 2.82Å; M372-C375 WeakPolarHBondContact O-CA 3.48Å; M372-C375 VanDerWaalsContact O-CB 3.26Å; M372-C375 WeakPolarHBondContact O-CB 3.35Å; M372-C375 PolarHBondContact O-N 3.06Å; M372-L380 HydrophobicContact CE-CD1 3.94Å; M372-L380 HydrophobicContact CE-CD2 4.02Å; M372-L380 HydrophobicContact CG-CD2 4.36Å; M372-F498 HydrophobicContact CE-CB 4.06Å; M372-F498 HydrophobicContact CE-CD1 4.18Å; M372-F498 HydrophobicContact CE-CD2 3.17Å; M372-F498 HydrophobicContact CE-CE1 4.42Å; M372-F498 HydrophobicContact CE-CE2 3.49Å; M372-F498 VanDerWaalsContact CE-CE2 3.49Å; M372-F498 HydrophobicContact CE-CG 3.56Å; M372-F498 HydrophobicContact CE-CZ 4.1Å; M372-L503 HydrophobicContact CE-CB 4.41Å; M372-L503 HydrophobicContact CE-CD2 4.4Å; M372-I534 HydrophobicContact CB-CG2 4.22Å; M372-I534 HydrophobicContact CE-CG2 3.57Å; M372-I534 HydrophobicContact CG-CG2 4.27Å; M372-I534 HydrophobicContact SD-CB 4.5Å; M372-I534 HydrophobicContact SD-CD1 4.26Å; M372-I534 HydrophobicContact SD-CG2 3.21Å; M372-I534 WeakPolarHBondContact SD-CG2 3.43Å
373	K	67.8	Low	64.5	Low	63 Å²	63	69.7 Å²	69.7	27%	0.274	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.7	-34.8	178.3	70	176.7	-175.9	172.5	0	113.4	E237 W369 I371 C375	E237-K373 IonicContact OE2-NZ 3.48Å; E237-K373 PolarHBondContact OE2-NZ 3.49Å; W369-K373 HydrophobicContact CD2-CB 4.15Å; W369-K373 HydrophobicContact CE3-CB 4.38Å; W369-K373 HydrophobicContact CH2-CB 4.07Å; W369-K373 HydrophobicContact CZ2-CB 3.79Å; W369-K373 HydrophobicContact CZ3-CB 4.34Å; W369-K373 PolarHBondContact O-N 2.61Å; I371-K373 PolarHBondContact O-N 3.01Å; K373-C375 VanDerWaalsContact C-N 3.29Å; K373-C375 PolarHBondContact O-N 3.16Å
374	N	63.1	Low	64.3	Low	96 Å²	96	66.5 Å²	66.5	51%	0.513	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-86.1	-1.9	178.9	-65.8	-34.3	0	0	0	113.5	M372	M372-N374 PolarHBondContact O-N 2.82Å
375	C	62	Low	64.5	Low	1 Å²	1	60 Å²	60	1%	0.007	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-102.5	0.5	-173.3	-50.6	0	0	0	0	113.1	I371 M372 K373 G377 K378 L380 I383	I371-C375 PolarHBondContact O-SG 2.88Å; M372-C375 WeakPolarHBondContact O-CA 3.48Å; M372-C375 VanDerWaalsContact O-CB 3.26Å; M372-C375 WeakPolarHBondContact O-CB 3.35Å; M372-C375 PolarHBondContact O-N 3.06Å; K373-C375 VanDerWaalsContact C-N 3.29Å; K373-C375 PolarHBondContact O-N 3.16Å; C375-G377 PolarHBondContact O-N 3.17Å; C375-K378 PolarHBondContact O-N 3.37Å; C375-L380 HydrophobicContact CB-CD2 3.58Å; C375-I383 HydrophobicContact CB-CD1 3.6Å; C375-I383 WeakPolarHBondContact SG-CD1 3.29Å
376	I	64	Low	65.2	Low	110 Å²	110	59.3 Å²	59.3	56%	0.564	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	121.6	-179.4	-61.1	169.5	0	0	0	109.6	W369 K378 F498	W369-I376 HydrophobicContact CH2-CD1 4.24Å; I376-K378 VanDerWaalsContact C-N 3.29Å; I376-K378 PolarHBondContact O-N 2.95Å; I376-F498 HydrophobicContact CG1-CD1 3.97Å; I376-F498 HydrophobicContact CG1-CE1 3.7Å
377	G	57.8	Low	66	Low	79 Å²	79	55.6 Å²	55.6	81%	0.814	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	4	-179.2	0	0	0	0	0	115.8	C375	C375-G377 PolarHBondContact O-N 3.17Å
378	K	66	Low	66.6	Low	132 Å²	132	56.5 Å²	56.5	57%	0.574	31%	0.312	S	S	*	.	S	Bend	trans	-106.8	156.9	178.2	-63.9	-179.2	-178.4	172	0	112.1	C375 I376 L380 I383	C375-K378 PolarHBondContact O-N 3.37Å; I376-K378 VanDerWaalsContact C-N 3.29Å; I376-K378 PolarHBondContact O-N 2.95Å; K378-L380 PolarHBondContact O-N 2.78Å; K378-I383 HydrophobicContact CB-CD1 4.46Å
379	E	64.3	Low	67.3	Low	106 Å²	106	56.6 Å²	56.6	50%	0.495	31%	0.312	S	S	.	.			trans	-69.1	118.6	168	-69.7	179.2	160.6	0	0	110.4	S381 K382	E379-S381 VanDerWaalsContact C-N 3.28Å; E379-S381 PolarHBondContact O-N 2.92Å; E379-K382 PolarHBondContact O-N 3.26Å; E379-K382 VanDerWaalsContact OE2-CE 3.28Å; E379-K382 WeakPolarHBondContact OE2-CE 3.49Å; E379-K382 IonicContact OE2-NZ 2.71Å; E379-K382 PolarHBondContact OE2-NZ 3.35Å
380	L	63.1	Low	68.4	Low	19 Å²	19	55.3 Å²	55.3	10%	0.099	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-69.3	-23.7	-177.2	-73.7	155	0	0	0	113.7	M372 C375 K378 K382 I383 F498 L503	M372-L380 HydrophobicContact CE-CD1 3.94Å; M372-L380 HydrophobicContact CE-CD2 4.02Å; M372-L380 HydrophobicContact CG-CD2 4.36Å; C375-L380 HydrophobicContact CB-CD2 3.58Å; K378-L380 PolarHBondContact O-N 2.78Å; L380-K382 PolarHBondContact O-N 3.09Å; L380-K382 VanDerWaalsContact O-N 3.13Å; L380-I383 PolarHBondContact O-N 2.99Å; L380-F498 HydrophobicContact CD1-CB 4.23Å; L380-L503 HydrophobicContact CD1-CD1 3.12Å; L380-L503 HydrophobicContact CD1-CD2 3.89Å; L380-L503 HydrophobicContact CD1-CG 4.12Å
381	S	61.1	Low	69.6	Low	44 Å²	44	52.2 Å²	52.2	31%	0.308	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.5	-24.5	177.5	56.4	0	0	0	0	113.1	E379	E379-S381 VanDerWaalsContact C-N 3.28Å; E379-S381 PolarHBondContact O-N 2.92Å
382	K	62.5	Low	70.9	Confident	140 Å²	140	50.9 Å²	50.9	61%	0.609	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-87.4	-2	179.5	-68.1	174.8	175	153	0	113.9	E379 L380	E379-K382 PolarHBondContact O-N 3.26Å; E379-K382 VanDerWaalsContact OE2-CE 3.28Å; E379-K382 WeakPolarHBondContact OE2-CE 3.49Å; E379-K382 IonicContact OE2-NZ 2.71Å; E379-K382 PolarHBondContact OE2-NZ 3.35Å; L380-K382 PolarHBondContact O-N 3.09Å; L380-K382 VanDerWaalsContact O-N 3.13Å
383	I	65.2	Low	72.4	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.195	28%	0.278	C	S	.	.	S	Bend	trans	-107.9	117.8	-173	-56.8	179.8	0	0	0	108.7	I371 C375 K378 L380 M385	I371-I383 HydrophobicContact CG2-CG2 4.46Å; C375-I383 HydrophobicContact CB-CD1 3.6Å; C375-I383 WeakPolarHBondContact SG-CD1 3.29Å; K378-I383 HydrophobicContact CB-CD1 4.46Å; L380-I383 PolarHBondContact O-N 2.99Å; I383-M385 PolarHBondContact O-N 2.86Å
384	P	64.2	Low	73.8	Confident	79 Å²	79	47.7 Å²	47.7	51%	0.513	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-67.1	121.3	-179.5	26	-31.4	0	0	0	109.5
385	M	70.9	Confident	75.4	Confident	22 Å²	22	45.2 Å²	45.2	11%	0.108	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-88	136.1	174	-65	-65	-68.6	0	0	108.8	L368 I371 I383 F389 K442 K686	L368-M385 HydrophobicContact CD1-CE 3.45Å; L368-M385 VanDerWaalsContact CD1-CE 3.45Å; I371-M385 HydrophobicContact CD1-CE 3.9Å; I371-M385 HydrophobicContact CD1-SD 4.37Å; I371-M385 HydrophobicContact CG2-CE 4.45Å; I371-M385 HydrophobicContact CG2-SD 3.74Å; I383-M385 PolarHBondContact O-N 2.86Å; M385-F389 HydrophobicContact CE-CB 3.82Å; M385-F389 HydrophobicContact CE-CD1 4.12Å; M385-F389 HydrophobicContact CE-CD2 4.45Å; M385-F389 HydrophobicContact CE-CG 3.88Å; M385-K442 HydrophobicContact CB-CD 4.48Å; M385-K442 HydrophobicContact CG-CD 3.95Å; M385-K686 PolarHBondContact O-NZ 3.06Å
386	P	71.5	Confident	77.1	Confident	52 Å²	52	45.1 Å²	45.1	34%	0.338	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-57.6	147.5	169.6	-21.6	33.2	0	0	0	111.1	I371 N388 F389	I371-P386 HydrophobicContact CD1-CG 3.89Å; P386-N388 PolarHBondContact O-N 2.58Å; P386-N388 VanDerWaalsContact O-N 3.08Å; P386-F389 HydrophobicContact CB-CD2 4.21Å; P386-F389 HydrophobicContact CG-CD2 4.23Å; P386-F389 HydrophobicContact CG-CE2 4.44Å; P386-F389 PolarHBondContact O-N 2.72Å
387	V	80.4	Confident	78.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.5	-28.6	-178.5	174.7	0	0	0	0	112	F389 N390 F444 M674 W679 A682 N683 K686	V387-F389 PolarHBondContact O-N 2.67Å; V387-F389 VanDerWaalsContact O-N 3.08Å; V387-N390 WeakPolarHBondContact O-CA 3.43Å; V387-N390 VanDerWaalsContact O-CB 3.27Å; V387-N390 WeakPolarHBondContact O-CB 3.32Å; V387-N390 PolarHBondContact O-N 3.09Å; V387-F444 HydrophobicContact CG1-CZ 4.07Å; V387-F444 HydrophobicContact CG2-CE1 4.38Å; V387-F444 HydrophobicContact CG2-CZ 4.5Å; V387-M674 HydrophobicContact CG1-CB 3.9Å; V387-M674 HydrophobicContact CG1-CG 3.62Å; V387-M674 HydrophobicContact CG1-SD 3.4Å; V387-M674 WeakPolarHBondContact CG1-SD 3.22Å; V387-W679 HydrophobicContact CB-CE3 4.48Å; V387-W679 HydrophobicContact CG1-CE3 3.74Å; V387-W679 HydrophobicContact CG1-CZ3 3.87Å; V387-A682 HydrophobicContact CG1-CB 4.1Å; V387-N683 WeakPolarHBondContact CB-OD1 3.48Å; V387-N683 HydrophobicContact CG2-CB 4.4Å; V387-N683 WeakPolarHBondContact CG2-OD1 3.25Å; V387-N683 PolarHBondContact N-OD1 2.93Å; V387-N683 VanDerWaalsContact N-OD1 3.11Å; V387-K686 HydrophobicContact CG2-CB 4.26Å; V387-K686 HydrophobicContact CG2-CD 3.5Å; V387-K686 VanDerWaalsContact CG2-CD 3.5Å
388	N	77.6	Confident	80.6	Confident	57 Å²	57	37.7 Å²	37.7	31%	0.305	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-59.3	-23.1	177.6	-57.5	60.6	0	0	0	113.8	L366 P386	L366-N388 WeakPolarHBondContact CD1-O 3.48Å; L366-N388 HydrophobicContact CD2-CB 3.72Å; L366-N388 WeakPolarHBondContact CD2-O 3.37Å; P386-N388 PolarHBondContact O-N 2.58Å; P386-N388 VanDerWaalsContact O-N 3.08Å
389	F	81.7	Confident	82	Confident	25 Å²	25	31.5 Å²	31.5	11%	0.11	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-91	-2.7	174.8	-70.7	-91.8	0	0	0	113.3	L366 L368 I371 M385 P386 V387 K442	L366-F389 HydrophobicContact CB-CD1 4.03Å; L366-F389 HydrophobicContact CB-CE1 3.55Å; L366-F389 HydrophobicContact CB-CZ 3.9Å; L366-F389 HydrophobicContact CD1-CD1 4.17Å; L366-F389 HydrophobicContact CD2-CD1 4.49Å; L366-F389 HydrophobicContact CD2-CD2 4.3Å; L366-F389 HydrophobicContact CD2-CE1 4.37Å; L366-F389 HydrophobicContact CD2-CE2 4.11Å; L366-F389 HydrophobicContact CD2-CG 4.48Å; L366-F389 HydrophobicContact CD2-CZ 4.17Å; L366-F389 HydrophobicContact CG-CD1 4.47Å; L366-F389 HydrophobicContact CG-CE1 4.36Å; L368-F389 HydrophobicContact CB-CE1 3.96Å; L368-F389 HydrophobicContact CD1-CD1 3.43Å; L368-F389 VanDerWaalsContact CD1-CD1 3.43Å; L368-F389 HydrophobicContact CD1-CE1 3.51Å; L368-F389 HydrophobicContact CD1-CG 4.36Å; L368-F389 HydrophobicContact CG-CE1 4.35Å; I371-F389 HydrophobicContact CD1-CD2 3.52Å; I371-F389 HydrophobicContact CD1-CE1 4.22Å; I371-F389 HydrophobicContact CD1-CE2 3.2Å; I371-F389 HydrophobicContact CD1-CG 4.17Å; I371-F389 HydrophobicContact CD1-CZ 3.58Å; I371-F389 HydrophobicContact CG1-CE2 4.43Å; M385-F389 HydrophobicContact CE-CB 3.82Å; M385-F389 HydrophobicContact CE-CD1 4.12Å; M385-F389 HydrophobicContact CE-CD2 4.45Å; M385-F389 HydrophobicContact CE-CG 3.88Å; P386-F389 HydrophobicContact CB-CD2 4.21Å; P386-F389 HydrophobicContact CG-CD2 4.23Å; P386-F389 HydrophobicContact CG-CE2 4.44Å; P386-F389 PolarHBondContact O-N 2.72Å; V387-F389 PolarHBondContact O-N 2.67Å; V387-F389 VanDerWaalsContact O-N 3.08Å; F389-K442 PolarHBondContact O-N 2.89Å
390	N	90.1	Very high	83.6	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	165.6	177.9	-72.1	105.6	0	0	0	111.9	V387 K442 P443 F444 M674 K686	V387-N390 WeakPolarHBondContact O-CA 3.43Å; V387-N390 VanDerWaalsContact O-CB 3.27Å; V387-N390 WeakPolarHBondContact O-CB 3.32Å; V387-N390 PolarHBondContact O-N 3.09Å; N390-K442 CarbonylContact C-O 3.47Å; N390-K442 WeakPolarHBondContact CA-O 3.09Å; N390-K442 WeakPolarHBondContact CB-O 3.32Å; N390-K442 PolarHBondContact ND2-O 3.33Å; N390-P443 PolarHBondContact ND2-O 3.24Å; N390-F444 HydrophobicContact CB-CD2 4.22Å; N390-F444 HydrophobicContact CB-CE2 3.86Å; N390-F444 HydrophobicContact CB-CZ 4.16Å; N390-M674 HydrophobicContact CB-CE 4.04Å; N390-M674 HydrophobicContact CB-SD 3.82Å; N390-M674 WeakPolarHBondContact O-CE 3.28Å; N390-K686 PolarHBondContact OD1-NZ 3.22Å
391	E	93.5	Very high	85.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.6	158.9	57.6	-172.6	-166.2	0	0	108.2	L393 R398 R439 A441 K442 P443 F444 Y644 F646	E391-L393 PolarHBondContact O-N 2.85Å; E391-R398 IonicContact OE1-CZ 3.09Å; E391-R398 VanDerWaalsContact OE1-CZ 3.23Å; E391-R398 IonicContact OE1-NE 3.7Å; E391-R398 PolarHBondContact OE1-NE 3.28Å; E391-R398 IonicContact OE1-NH2 2.68Å; E391-R398 PolarHBondContact OE1-NH2 2.67Å; E391-R398 IonicContact OE2-CZ 2.94Å; E391-R398 IonicContact OE2-NH2 3.98Å; E391-R398 PolarHBondContact OE2-NH2 2.65Å; E391-R439 IonicContact OE1-CZ 2.94Å; E391-R439 IonicContact OE1-NH2 2.94Å; E391-R439 PolarHBondContact OE1-NH2 2.84Å; E391-R439 IonicContact OE2-CZ 3.68Å; E391-R439 IonicContact OE2-NE 3.47Å; E391-R439 PolarHBondContact OE2-NE 2.96Å; E391-R439 IonicContact OE2-NH2 3.87Å; E391-R439 PolarHBondContact OE2-NH2 2.9Å; E391-A441 HydrophobicContact CB-CB 3.94Å; E391-A441 HydrophobicContact CG-CB 4.48Å; E391-K442 PolarHBondContact N-O 2.72Å; E391-K442 VanDerWaalsContact N-O 3.09Å; E391-P443 HydrophobicContact CG-CB 4.38Å; E391-F444 VanDerWaalsContact O-CD2 3.3Å; E391-F444 WeakPolarHBondContact O-CD2 3.26Å; E391-F444 WeakPolarHBondContact O-CE2 3.36Å; E391-Y644 HydrophobicContact CB-CD1 4.04Å; E391-Y644 HydrophobicContact CB-CG 4.43Å; E391-F646 HydrophobicContact CB-CE1 4.16Å; E391-F646 HydrophobicContact CB-CZ 4.19Å
392	P	96	Very high	87	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	43.5	-175.5	32.1	-37.3	0	0	0	113.4	I358 Y644 F646 E675	I358-P392 HydrophobicContact CD1-CG 4.36Å; P392-Y644 HydrophobicContact CG-CD2 4.09Å; P392-Y644 HydrophobicContact CG-CE2 3.89Å; P392-F646 HydrophobicContact CG-CE2 3.96Å; P392-F646 HydrophobicContact CG-CZ 3.91Å; P392-E675 HydrophobicContact CB-CB 3.72Å; P392-E675 HydrophobicContact CB-CG 4.06Å; P392-E675 HydrophobicContact CG-CB 4.44Å; P392-E675 HydrophobicContact CG-CG 4.32Å
393	L	97.7	Very high	88.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.6	174.3	-68.2	177	0	0	0	110.5	E391 Q397 P443 F444 F646 A650 L653 N654	E391-L393 PolarHBondContact O-N 2.85Å; L393-Q397 HydrophobicContact CB-CB 4.23Å; L393-Q397 HydrophobicContact CD2-CB 4.01Å; L393-Q397 HydrophobicContact CD2-CG 4.37Å; L393-P443 CarbonylContact O-C 3.54Å; L393-P443 WeakPolarHBondContact O-CA 3.35Å; L393-P443 VanDerWaalsContact O-CB 3.24Å; L393-P443 WeakPolarHBondContact O-CB 3.44Å; L393-F444 PolarHBondContact O-N 2.59Å; L393-F646 HydrophobicContact CD1-CD2 4.48Å; L393-F646 HydrophobicContact CD1-CE1 3.95Å; L393-F646 HydrophobicContact CD1-CE2 3.85Å; L393-F646 HydrophobicContact CD1-CZ 3.55Å; L393-F646 HydrophobicContact CG-CE1 4.48Å; L393-F646 HydrophobicContact CG-CE2 3.95Å; L393-F646 HydrophobicContact CG-CZ 3.67Å; L393-A650 HydrophobicContact CD1-CB 4.23Å; L393-L653 HydrophobicContact CD1-CD1 4.34Å; L393-L653 HydrophobicContact CD2-CB 3.87Å; L393-N654 HydrophobicContact CD2-CB 3.81Å
394	S	97.3	Very high	90.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	156.5	171.1	178.5	0	0	0	0	109.9	L396 Q397 R398 P446 E450	S394-L396 PolarHBondContact O-N 2.75Å; S394-Q397 WeakPolarHBondContact O-CB 3.48Å; S394-Q397 PolarHBondContact O-N 3.02Å; S394-Q397 VanDerWaalsContact O-N 3.07Å; S394-R398 PolarHBondContact O-N 3.35Å; S394-P446 WeakPolarHBondContact OG-CG 3.25Å; S394-E450 WeakPolarHBondContact CB-OE1 3.35Å; S394-E450 PolarHBondContact OG-OE1 3.38Å
395	M	95.9	Very high	91.8	Very high	43 Å²	43	13.2 Å²	13.2	21%	0.212	7%	0.068	C	C	.	.	H	α-helix	trans	-59.7	-27.7	174.4	-172.2	62	-150.4	0	0	111.8	R398 L399 P443 F444 P446 I494	M395-R398 HydrophobicContact CE-CG 4.22Å; M395-R398 PolarHBondContact O-N 2.86Å; M395-R398 HydrophobicContact SD-CB 4.17Å; M395-R398 HydrophobicContact SD-CG 4.12Å; M395-L399 WeakPolarHBondContact O-CB 3.48Å; M395-L399 PolarHBondContact O-N 3.46Å; M395-P443 HydrophobicContact CB-CG 4.39Å; M395-P443 HydrophobicContact SD-CG 3.68Å; M395-F444 PolarHBondContact N-O 3.04Å; M395-P446 HydrophobicContact CB-CG 3.71Å; M395-I494 HydrophobicContact CE-CD1 4.28Å; M395-I494 HydrophobicContact CE-CG1 4.26Å
396	L	98.3	Very high	93.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.1	-40.4	175	-54	-174.9	0	0	0	111.9	S394 L399 T400 P446 E450 C466 Q468 A476	S394-L396 PolarHBondContact O-N 2.75Å; L396-L399 PolarHBondContact O-N 3.37Å; L396-T400 PolarHBondContact O-N 3.41Å; L396-T400 PolarHBondContact O-OG1 3.11Å; L396-P446 HydrophobicContact CD1-CB 4.17Å; L396-P446 HydrophobicContact CD1-CG 4.49Å; L396-P446 HydrophobicContact CD2-CB 4.21Å; L396-P446 HydrophobicContact CD2-CG 3.85Å; L396-P446 HydrophobicContact CG-CB 3.88Å; L396-P446 HydrophobicContact CG-CG 3.66Å; L396-E450 HydrophobicContact CD1-CB 4.24Å; L396-E450 HydrophobicContact CD1-CG 4.14Å; L396-E450 VanDerWaalsContact CD1-O 3.28Å; L396-E450 WeakPolarHBondContact CD1-O 3.47Å; L396-C466 HydrophobicContact CB-CB 3.91Å; L396-C466 HydrophobicContact CD1-CB 4.44Å; L396-C466 HydrophobicContact CD2-CB 4.19Å; L396-C466 HydrophobicContact CG-CB 4.39Å; L396-Q468 HydrophobicContact CD2-CB 4.47Å; L396-A476 HydrophobicContact CD2-CB 3.59Å
397	Q	98.4	Very high	94.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67	-45.7	173.2	-74	165.1	-44.8	0	0	110.5	L393 S394 L399 T400 E401 Y452 L653 N654	L393-Q397 HydrophobicContact CB-CB 4.23Å; L393-Q397 HydrophobicContact CD2-CB 4.01Å; L393-Q397 HydrophobicContact CD2-CG 4.37Å; S394-Q397 WeakPolarHBondContact O-CB 3.48Å; S394-Q397 PolarHBondContact O-N 3.02Å; S394-Q397 VanDerWaalsContact O-N 3.07Å; Q397-L399 VanDerWaalsContact C-N 3.26Å; Q397-L399 PolarHBondContact O-N 2.88Å; Q397-T400 WeakPolarHBondContact O-CA 3.38Å; Q397-T400 VanDerWaalsContact O-CB 3.32Å; Q397-T400 WeakPolarHBondContact O-CB 3.34Å; Q397-T400 PolarHBondContact O-N 3.47Å; Q397-E401 PolarHBondContact O-N 3.41Å; Q397-Y452 HydrophobicContact CB-CD1 4.47Å; Q397-Y452 HydrophobicContact CB-CE1 4.37Å; Q397-Y452 HydrophobicContact CG-CD1 3.81Å; Q397-Y452 HydrophobicContact CG-CD2 3.53Å; Q397-Y452 HydrophobicContact CG-CE1 3.75Å; Q397-Y452 HydrophobicContact CG-CE2 3.49Å; Q397-Y452 VanDerWaalsContact CG-CE2 3.49Å; Q397-Y452 HydrophobicContact CG-CG 3.69Å; Q397-L653 HydrophobicContact CB-CB 4.31Å; Q397-L653 HydrophobicContact CB-CD1 4.13Å; Q397-L653 HydrophobicContact CG-CB 4.31Å; Q397-L653 PolarHBondContact NE2-O 3.2Å; Q397-L653 WeakPolarHBondContact O-CD1 3.44Å; Q397-N654 PolarHBondContact NE2-OD1 3.2Å
398	R	96.6	Very high	95.2	Very high	32 Å²	32	14.6 Å²	14.6	12%	0.121	7%	0.069	C	C	.	.	H	α-helix	trans	-57.1	-39.1	176	177.2	63.4	83.1	128.9	14	112.5	E391 S394 M395 T400 E401 R439 P443	E391-R398 IonicContact OE1-CZ 3.09Å; E391-R398 VanDerWaalsContact OE1-CZ 3.23Å; E391-R398 IonicContact OE1-NE 3.7Å; E391-R398 PolarHBondContact OE1-NE 3.28Å; E391-R398 IonicContact OE1-NH2 2.68Å; E391-R398 PolarHBondContact OE1-NH2 2.67Å; E391-R398 IonicContact OE2-CZ 2.94Å; E391-R398 IonicContact OE2-NH2 3.98Å; E391-R398 PolarHBondContact OE2-NH2 2.65Å; S394-R398 PolarHBondContact O-N 3.35Å; M395-R398 HydrophobicContact CE-CG 4.22Å; M395-R398 PolarHBondContact O-N 2.86Å; M395-R398 HydrophobicContact SD-CB 4.17Å; M395-R398 HydrophobicContact SD-CG 4.12Å; R398-T400 VanDerWaalsContact C-N 3.28Å; R398-T400 PolarHBondContact O-N 2.93Å; R398-E401 WeakPolarHBondContact CD-OE1 3.44Å; R398-E401 IonicContact NE-OE1 3.21Å; R398-E401 WeakPolarHBondContact O-CB 3.31Å; R398-E401 PolarHBondContact O-N 3.07Å; R398-R439 VanDerWaalsContact CZ-NH2 3.32Å; R398-P443 HydrophobicContact CB-CB 4.28Å; R398-P443 HydrophobicContact CB-CG 4.32Å; R398-P443 HydrophobicContact CG-CG 4.39Å
399	L	96.5	Very high	96.2	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-32.3	175.5	-176.4	59.8	0	0	0	112.3	M395 L396 Q397 E401 D402 A476 H478 I492	M395-L399 WeakPolarHBondContact O-CB 3.48Å; M395-L399 PolarHBondContact O-N 3.46Å; L396-L399 PolarHBondContact O-N 3.37Å; Q397-L399 VanDerWaalsContact C-N 3.26Å; Q397-L399 PolarHBondContact O-N 2.88Å; L399-E401 VanDerWaalsContact C-N 3.26Å; L399-E401 PolarHBondContact O-N 3.06Å; L399-D402 WeakPolarHBondContact O-CB 3.36Å; L399-D402 PolarHBondContact O-N 3.42Å; L399-A476 HydrophobicContact CD2-CB 4.28Å; L399-H478 HydrophobicContact CD2-CB 3.65Å; L399-H478 HydrophobicContact CG-CB 4.31Å; L399-I492 HydrophobicContact CD1-CD1 4.19Å; L399-I492 HydrophobicContact CD1-CG2 3.92Å; L399-I492 HydrophobicContact CD2-CG2 3.63Å; L399-I492 HydrophobicContact CG-CG2 4.39Å
400	T	97.8	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.6	-21.7	179	-52	0	0	0	0	112.1	L396 Q397 R398 D402 L403 Y452 L454 L653	L396-T400 PolarHBondContact O-N 3.41Å; L396-T400 PolarHBondContact O-OG1 3.11Å; Q397-T400 WeakPolarHBondContact O-CA 3.38Å; Q397-T400 VanDerWaalsContact O-CB 3.32Å; Q397-T400 WeakPolarHBondContact O-CB 3.34Å; Q397-T400 PolarHBondContact O-N 3.47Å; R398-T400 VanDerWaalsContact C-N 3.28Å; R398-T400 PolarHBondContact O-N 2.93Å; T400-D402 PolarHBondContact O-N 3.3Å; T400-D402 VanDerWaalsContact O-N 3.09Å; T400-L403 HydrophobicContact CG2-CD1 4.13Å; T400-L403 WeakPolarHBondContact O-CB 3.44Å; T400-L403 PolarHBondContact O-N 3.31Å; T400-Y452 HydrophobicContact CG2-CE1 4.01Å; T400-Y452 WeakPolarHBondContact OG1-CD1 3.21Å; T400-Y452 WeakPolarHBondContact OG1-CE1 3.09Å; T400-L454 HydrophobicContact CG2-CB 3.77Å; T400-L454 HydrophobicContact CG2-CD2 3.43Å; T400-L454 VanDerWaalsContact CG2-CD2 3.43Å; T400-L454 HydrophobicContact CG2-CG 4.23Å; T400-L653 HydrophobicContact CG2-CD2 4.49Å
401	E	97.5	Very high	97.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.009	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-61.6	-15	173.2	-63.6	-179.5	-129.2	0	0	113.6	Q397 R398 L399 L403 E404 R439 L653	Q397-E401 PolarHBondContact O-N 3.41Å; R398-E401 WeakPolarHBondContact CD-OE1 3.44Å; R398-E401 IonicContact NE-OE1 3.21Å; R398-E401 WeakPolarHBondContact O-CB 3.31Å; R398-E401 PolarHBondContact O-N 3.07Å; L399-E401 VanDerWaalsContact C-N 3.26Å; L399-E401 PolarHBondContact O-N 3.06Å; E401-L403 PolarHBondContact O-N 3.44Å; E401-E404 WeakPolarHBondContact O-CB 3.35Å; E401-E404 PolarHBondContact O-N 2.91Å; E401-R439 IonicContact OE1-CZ 3.68Å; E401-R439 IonicContact OE1-NH1 2.87Å; E401-R439 PolarHBondContact OE1-NH1 3.26Å; E401-R439 IonicContact OE1-NH2 3.67Å; E401-R439 PolarHBondContact OE1-NH2 2.67Å; E401-R439 IonicContact OE2-CZ 3.57Å; E401-R439 IonicContact OE2-NH1 3.71Å; E401-R439 PolarHBondContact OE2-NH1 3.41Å; E401-L653 HydrophobicContact CG-CD1 3.58Å
402	D	96.6	Very high	97.6	Very high	12 Å²	12	15.5 Å²	15.5	6%	0.064	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-53.7	-23.3	167.6	-73.9	-7.7	0	0	0	112.1	L399 T400 F428 Q490 K526	L399-D402 WeakPolarHBondContact O-CB 3.36Å; L399-D402 PolarHBondContact O-N 3.42Å; T400-D402 PolarHBondContact O-N 3.3Å; T400-D402 VanDerWaalsContact O-N 3.09Å; D402-F428 WeakPolarHBondContact O-CE2 3.16Å; D402-F428 VanDerWaalsContact O-CZ 3.26Å; D402-F428 WeakPolarHBondContact O-CZ 3.19Å; D402-Q490 PolarHBondContact OD2-NE2 3.34Å; D402-K526 IonicContact OD1-NZ 2.79Å; D402-K526 PolarHBondContact OD1-NZ 3.25Å; D402-K526 WeakPolarHBondContact OD2-CE 3.49Å; D402-K526 IonicContact OD2-NZ 3.73Å; D402-K526 PolarHBondContact OD2-NZ 2.9Å
403	L	97.9	Very high	97.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-88.7	3.8	179.5	-60.4	173.3	0	0	0	114.4	T400 E401 Y405 H406 Y462 V480 W486	T400-L403 HydrophobicContact CG2-CD1 4.13Å; T400-L403 WeakPolarHBondContact O-CB 3.44Å; T400-L403 PolarHBondContact O-N 3.31Å; E401-L403 PolarHBondContact O-N 3.44Å; L403-Y405 PolarHBondContact O-N 3.44Å; L403-Y405 VanDerWaalsContact O-N 3.1Å; L403-H406 WeakPolarHBondContact O-CB 3.4Å; L403-H406 PolarHBondContact O-CD2 3.38Å; L403-H406 PolarHBondContact O-N 3.45Å; L403-Y462 HydrophobicContact CB-CE2 4.45Å; L403-Y462 HydrophobicContact CD1-CD2 4.16Å; L403-Y462 HydrophobicContact CD1-CE2 3.74Å; L403-V480 HydrophobicContact CD1-CG1 3.96Å; L403-V480 HydrophobicContact CD1-CG2 3.92Å; L403-V480 HydrophobicContact CD2-CG1 4.15Å; L403-V480 HydrophobicContact CD2-CG2 4.22Å; L403-W486 HydrophobicContact CD2-CH2 4.06Å; L403-W486 HydrophobicContact CD2-CZ3 4.46Å
404	E	97.7	Very high	97.6	Very high	18 Å²	18	24 Å²	24	8%	0.084	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-39.2	176.1	-176.9	86	-152.6	0	0	111.6	E401 Y634 S647 L649	E401-E404 WeakPolarHBondContact O-CB 3.35Å; E401-E404 PolarHBondContact O-N 2.91Å; E404-Y634 HydrophobicContact CG-CD2 4.12Å; E404-Y634 HydrophobicContact CG-CE2 4.28Å; E404-S647 WeakPolarHBondContact OE1-CB 3.3Å; E404-S647 VanDerWaalsContact OE2-CB 3.24Å; E404-S647 WeakPolarHBondContact OE2-CB 3.45Å; E404-S647 PolarHBondContact OE2-OG 3.18Å; E404-L649 HydrophobicContact CB-CD2 4.2Å; E404-L649 WeakPolarHBondContact OE2-CB 3.41Å
405	Y	98.3	Very high	97.5	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.035	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	37.4	-179.1	-55.5	-84.1	0	0	0	112.5	L403 E407 L408 S431 S434 W631 K633 Y634	L403-Y405 PolarHBondContact O-N 3.44Å; L403-Y405 VanDerWaalsContact O-N 3.1Å; Y405-E407 PolarHBondContact O-N 2.92Å; Y405-L408 WeakPolarHBondContact O-CB 3.5Å; Y405-L408 PolarHBondContact O-N 2.79Å; Y405-S431 VanDerWaalsContact CD2-CB 3.46Å; Y405-S431 WeakPolarHBondContact CD2-OG 3.22Å; Y405-S434 WeakPolarHBondContact CE2-OG 3.4Å; Y405-W631 AromaticContact CD1-CD1 3.48Å; Y405-W631 VanDerWaalsContact CD1-CD1 3.48Å; Y405-W631 AromaticContact CD1-NE1 3.16Å; Y405-W631 AromaticContact CD2-NE1 3.58Å; Y405-W631 AromaticContact CE1-CD1 3.81Å; Y405-W631 AromaticContact CE1-NE1 3.07Å; Y405-W631 HydrophobicContact CE2-CZ2 4.2Å; Y405-W631 AromaticContact CE2-NE1 3.53Å; Y405-W631 AromaticContact CG-CD1 3.77Å; Y405-W631 AromaticContact CG-NE1 3.41Å; Y405-W631 AromaticContact CZ-NE1 3.29Å; Y405-W631 VanDerWaalsContact CZ-NE1 3.29Å; Y405-K633 WeakPolarHBondContact OH-CA 3.33Å; Y405-K633 WeakPolarHBondContact OH-CG 3.28Å; Y405-Y634 HydrophobicContact CD1-CD2 4.06Å; Y405-Y634 HydrophobicContact CD1-CE1 4.36Å; Y405-Y634 AromaticContact CD1-CE2 3.49Å; Y405-Y634 HydrophobicContact CD1-CE2 3.49Å; Y405-Y634 VanDerWaalsContact CD1-CE2 3.49Å; Y405-Y634 AromaticContact CD1-CZ 3.67Å; Y405-Y634 HydrophobicContact CE1-CD1 4.1Å; Y405-Y634 AromaticContact CE1-CD2 3.37Å; Y405-Y634 HydrophobicContact CE1-CD2 3.37Å; Y405-Y634 HydrophobicContact CE1-CE1 4.06Å; Y405-Y634 AromaticContact CE1-CE2 3.31Å; Y405-Y634 HydrophobicContact CE1-CE2 3.31Å; Y405-Y634 AromaticContact CE1-CG 3.76Å; Y405-Y634 HydrophobicContact CE1-CG 3.76Å; Y405-Y634 AromaticContact CE1-CZ 3.67Å; Y405-Y634 HydrophobicContact CG-CE2 4.42Å; Y405-Y634 AromaticContact CZ-CD2 3.81Å; Y405-Y634 PolarHBondContact OH-N 2.69Å
406	H	97.9	Very high	97.4	Very high	9 Å²	9	33 Å²	33	4%	0.042	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-25.2	178.7	75.5	86.7	0	0	0	113.5	L403 L408 L409 D410 F460 Y462 W486	L403-H406 WeakPolarHBondContact O-CB 3.4Å; L403-H406 PolarHBondContact O-CD2 3.38Å; L403-H406 PolarHBondContact O-N 3.45Å; H406-L408 PolarHBondContact O-N 3.32Å; H406-L408 VanDerWaalsContact O-N 3.13Å; H406-L409 WeakPolarHBondContact O-CA 3.28Å; H406-L409 VanDerWaalsContact O-CB 3.32Å; H406-L409 WeakPolarHBondContact O-CB 3.4Å; H406-L409 PolarHBondContact O-N 2.98Å; H406-D410 IonicContact CE1-OD2 2.71Å; H406-D410 PolarHBondContact CE1-OD2 2.9Å; H406-D410 IonicContact ND1-OD2 3.85Å; H406-D410 PolarHBondContact ND1-OD2 3.43Å; H406-D410 PolarHBondContact O-N 2.9Å; H406-D410 VanDerWaalsContact O-N 3.15Å; H406-F460 AromaticContact NE2-CG 3.79Å; H406-Y462 HydrophobicContact CB-CD1 4.47Å; H406-Y462 HydrophobicContact CB-CE1 4.24Å; H406-Y462 AromaticContact CD2-CE1 3.44Å; H406-Y462 VanDerWaalsContact CD2-CE1 3.44Å; H406-Y462 WeakPolarHBondContact CD2-CE1 3.44Å; H406-Y462 AromaticContact CE1-CE1 3.84Å; H406-Y462 AromaticContact CG-CD1 3.89Å; H406-Y462 AromaticContact CG-CE1 3.54Å; H406-Y462 AromaticContact ND1-CD1 3.78Å; H406-Y462 AromaticContact ND1-CE1 3.79Å; H406-Y462 AromaticContact NE2-CE1 3.63Å; H406-W486 HydrophobicContact CB-CH2 4.46Å; H406-W486 HydrophobicContact CB-CZ2 4.19Å
407	E	97.9	Very high	97.3	Very high	85 Å²	85	35 Å²	35	40%	0.397	17%	0.165	S	C	.	.	H	α-helix	trans	-57.8	-25.8	177	-59.6	-172.1	144.8	0	0	113	Y405 L409 D410 K411	Y405-E407 PolarHBondContact O-N 2.92Å; E407-L409 VanDerWaalsContact C-N 3.29Å; E407-D410 PolarHBondContact O-N 3.28Å; E407-K411 VanDerWaalsContact O-CG 3.31Å; E407-K411 WeakPolarHBondContact O-CG 3.29Å; E407-K411 PolarHBondContact O-N 2.97Å
408	L	98.6	Very high	97.3	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-38.7	172.3	-67.4	171.3	0	0	0	111.2	Y405 H406 K411 A412 L424 A427 F428 L630 W631	Y405-L408 WeakPolarHBondContact O-CB 3.5Å; Y405-L408 PolarHBondContact O-N 2.79Å; H406-L408 PolarHBondContact O-N 3.32Å; H406-L408 VanDerWaalsContact O-N 3.13Å; L408-K411 PolarHBondContact O-N 3.37Å; L408-A412 VanDerWaalsContact O-CB 3.25Å; L408-A412 WeakPolarHBondContact O-CB 3.39Å; L408-A412 PolarHBondContact O-N 3.09Å; L408-L424 HydrophobicContact CD2-CD2 4.15Å; L408-A427 HydrophobicContact CD1-CB 4.31Å; L408-F428 HydrophobicContact CB-CB 4.1Å; L408-F428 HydrophobicContact CD1-CB 4.08Å; L408-L630 VanDerWaalsContact CD2-O 3.32Å; L408-L630 WeakPolarHBondContact CD2-O 3.29Å; L408-W631 HydrophobicContact CD1-CB 4.13Å; L408-W631 HydrophobicContact CD1-CG 4.26Å; L408-W631 HydrophobicContact CD2-CB 4.37Å
409	L	98.6	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.7	-37.3	175.5	-55.8	-174.2	0	0	0	111.3	H406 E407 K411 A412 A413 F428 W486 L488 L513 F515	H406-L409 WeakPolarHBondContact O-CA 3.28Å; H406-L409 VanDerWaalsContact O-CB 3.32Å; H406-L409 WeakPolarHBondContact O-CB 3.4Å; H406-L409 PolarHBondContact O-N 2.98Å; E407-L409 VanDerWaalsContact C-N 3.29Å; L409-K411 VanDerWaalsContact C-N 3.31Å; L409-K411 PolarHBondContact O-N 3Å; L409-A412 PolarHBondContact O-N 2.74Å; L409-A413 WeakPolarHBondContact O-CB 3.47Å; L409-A413 PolarHBondContact O-N 3.33Å; L409-F428 HydrophobicContact CD1-CD1 4.33Å; L409-F428 HydrophobicContact CD1-CD2 4.21Å; L409-F428 HydrophobicContact CD1-CE1 4Å; L409-F428 HydrophobicContact CD1-CE2 3.87Å; L409-F428 HydrophobicContact CD1-CG 4.43Å; L409-F428 HydrophobicContact CD1-CZ 3.76Å; L409-F428 HydrophobicContact CD2-CB 3.95Å; L409-F428 HydrophobicContact CD2-CD1 3.76Å; L409-F428 HydrophobicContact CD2-CD2 4Å; L409-F428 HydrophobicContact CD2-CE1 4.27Å; L409-F428 HydrophobicContact CD2-CE2 4.48Å; L409-F428 HydrophobicContact CD2-CG 3.61Å; L409-F428 HydrophobicContact CG-CD1 4.28Å; L409-F428 HydrophobicContact CG-CD2 3.82Å; L409-F428 HydrophobicContact CG-CE1 4.43Å; L409-F428 HydrophobicContact CG-CE2 3.98Å; L409-F428 HydrophobicContact CG-CG 3.98Å; L409-F428 HydrophobicContact CG-CZ 4.29Å; L409-W486 HydrophobicContact CB-CD2 3.94Å; L409-W486 HydrophobicContact CB-CG 4.12Å; L409-W486 HydrophobicContact CB-CZ2 4.23Å; L409-W486 HydrophobicContact CD1-CD2 4.02Å; L409-W486 HydrophobicContact CD1-CE3 3.81Å; L409-W486 HydrophobicContact CD1-CH2 4.02Å; L409-W486 HydrophobicContact CD1-CZ2 4.2Å; L409-W486 HydrophobicContact CD1-CZ3 3.81Å; L409-L488 HydrophobicContact CD1-CD1 4.41Å; L409-L513 HydrophobicContact CD1-CD1 4Å; L409-L513 HydrophobicContact CD2-CD1 4.34Å; L409-L513 HydrophobicContact CD2-CD2 3.63Å; L409-F515 HydrophobicContact CD2-CZ 4.47Å; L409-F515 WeakPolarHBondContact O-CE1 3.43Å
410	D	98.1	Very high	97.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-39.5	174.3	-62.9	-25.5	0	0	0	111.9	H406 E407 R414 R484 W486	H406-D410 IonicContact CE1-OD2 2.71Å; H406-D410 PolarHBondContact CE1-OD2 2.9Å; H406-D410 IonicContact ND1-OD2 3.85Å; H406-D410 PolarHBondContact ND1-OD2 3.43Å; H406-D410 PolarHBondContact O-N 2.9Å; H406-D410 VanDerWaalsContact O-N 3.15Å; E407-D410 PolarHBondContact O-N 3.28Å; D410-R414 VanDerWaalsContact O-CZ 3.24Å; D410-R414 PolarHBondContact O-NH1 2.67Å; D410-R414 VanDerWaalsContact O-NH1 3.13Å; D410-R484 WeakPolarHBondContact OD1-CB 3.44Å; D410-R484 WeakPolarHBondContact OD1-CD 3.42Å; D410-R484 VanDerWaalsContact OD2-CD 3.24Å; D410-R484 WeakPolarHBondContact OD2-CD 3.28Å; D410-R484 IonicContact OD2-CZ 2.78Å; D410-R484 IonicContact OD2-NE 3.88Å; D410-R484 IonicContact OD2-NH1 3.57Å; D410-R484 PolarHBondContact OD2-NH1 3.31Å; D410-W486 PolarHBondContact OD1-NE1 3.02Å
411	K	98.1	Very high	97.4	Very high	101 Å²	101	39.4 Å²	39.4	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-66.5	-45.9	172.9	-71.8	172	-175.9	178	0	110.7	E407 L408 L409 A413 R414 C415 L424	E407-K411 VanDerWaalsContact O-CG 3.31Å; E407-K411 WeakPolarHBondContact O-CG 3.29Å; E407-K411 PolarHBondContact O-N 2.97Å; L408-K411 PolarHBondContact O-N 3.37Å; L409-K411 VanDerWaalsContact C-N 3.31Å; L409-K411 PolarHBondContact O-N 3Å; K411-A413 VanDerWaalsContact C-N 3.3Å; K411-A413 PolarHBondContact O-N 3.45Å; K411-R414 PolarHBondContact O-N 2.78Å; K411-C415 PolarHBondContact O-N 3.23Å; K411-L424 HydrophobicContact CB-CD1 4Å
412	A	98.3	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-37.4	179.8	0	0	0	0	0	112.4	L408 L409 R414 C415 Q421 L424 F515	L408-A412 VanDerWaalsContact O-CB 3.25Å; L408-A412 WeakPolarHBondContact O-CB 3.39Å; L408-A412 PolarHBondContact O-N 3.09Å; L409-A412 PolarHBondContact O-N 2.74Å; A412-R414 PolarHBondContact O-N 2.88Å; A412-C415 WeakPolarHBondContact O-CB 3.39Å; A412-C415 PolarHBondContact O-N 2.95Å; A412-C415 VanDerWaalsContact O-N 3.07Å; A412-Q421 HydrophobicContact CB-CG 4.13Å; A412-Q421 PolarHBondContact O-NE2 2.84Å; A412-L424 HydrophobicContact CB-CB 3.82Å; A412-L424 HydrophobicContact CB-CD1 4.02Å; A412-F515 HydrophobicContact CB-CE1 3.81Å; A412-F515 HydrophobicContact CB-CE2 4.43Å; A412-F515 HydrophobicContact CB-CZ 3.5Å; A412-F515 VanDerWaalsContact CB-CZ 3.5Å
413	A	97.9	Very high	97.6	Very high	20 Å²	20	38.9 Å²	38.9	17%	0.165	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	176.7	0	0	0	0	0	113.6	L409 K411 R484 F515	L409-A413 WeakPolarHBondContact O-CB 3.47Å; L409-A413 PolarHBondContact O-N 3.33Å; K411-A413 VanDerWaalsContact C-N 3.3Å; K411-A413 PolarHBondContact O-N 3.45Å; A413-R484 WeakPolarHBondContact CB-O 3.16Å; A413-F515 HydrophobicContact CB-CD1 3.71Å; A413-F515 HydrophobicContact CB-CE1 3.91Å
414	R	96.6	Very high	97.6	Very high	160 Å²	160	39.7 Å²	39.7	60%	0.604	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.5	177	-63	-174.1	-69.2	-95	4.4	113.5	D410 K411 A412	D410-R414 VanDerWaalsContact O-CZ 3.24Å; D410-R414 PolarHBondContact O-NH1 2.67Å; D410-R414 VanDerWaalsContact O-NH1 3.13Å; K411-R414 PolarHBondContact O-N 2.78Å; A412-R414 PolarHBondContact O-N 2.88Å
415	C	94.8	Very high	97.7	Very high	30 Å²	30	38.9 Å²	38.9	20%	0.203	19%	0.189	C	C	.	.			trans	-72.7	133.6	178.5	-72.6	0	0	0	0	111.2	K411 A412 Q421 L424	K411-C415 PolarHBondContact O-N 3.23Å; A412-C415 WeakPolarHBondContact O-CB 3.39Å; A412-C415 PolarHBondContact O-N 2.95Å; A412-C415 VanDerWaalsContact O-N 3.07Å; C415-Q421 HydrophobicContact CB-CB 3.97Å; C415-L424 VanDerWaalsContact SG-CD1 3.52Å
416	E	93.7	Very high	97.7	Very high	200 Å²	200	38.4 Å²	38.4	94%	0.935	19%	0.187	S	C	*	.	S	Bend	trans	-83.8	-34.9	172.8	-61.1	-176.8	171.7	0	0	111.7
417	S	96.6	Very high	97.7	Very high	42 Å²	42	38 Å²	38	29%	0.294	19%	0.185	S	C	.	.			trans	-83.3	124.3	176.3	173.1	0	0	0	0	111.1	L419 E420 Q421	S417-L419 VanDerWaalsContact C-N 3.31Å; S417-L419 PolarHBondContact O-N 3.06Å; S417-L419 PolarHBondContact OG-N 3.05Å; S417-E420 PolarHBondContact O-N 3.08Å; S417-E420 PolarHBondContact OG-N 2.92Å; S417-Q421 WeakPolarHBondContact O-CB 3.42Å; S417-Q421 PolarHBondContact O-N 3.47Å
418	S	97.5	Very high	97.8	Very high	27 Å²	27	34.2 Å²	34.2	19%	0.189	17%	0.167	C	C	.	.	H	α-helix	trans	-66.5	-31.1	176.4	49.4	0	0	0	0	113	M422 Y522 E556	S418-M422 WeakPolarHBondContact O-CB 2.95Å; S418-M422 PolarHBondContact O-N 2.8Å; S418-Y522 PolarHBondContact O-OH 3.33Å; S418-E556 WeakPolarHBondContact CB-OE1 3.43Å; S418-E556 WeakPolarHBondContact CB-OE2 3.16Å; S418-E556 VanDerWaalsContact OG-CD 3.25Å; S418-E556 PolarHBondContact OG-OE1 3.42Å; S418-E556 PolarHBondContact OG-OE2 3Å
419	L	97.7	Very high	97.8	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-68.3	-40.6	172.7	-66.6	169.9	0	0	0	112	S417 M422 C423 E556 V580 H588 Y589	S417-L419 VanDerWaalsContact C-N 3.31Å; S417-L419 PolarHBondContact O-N 3.06Å; S417-L419 PolarHBondContact OG-N 3.05Å; L419-M422 WeakPolarHBondContact O-CB 2.97Å; L419-M422 PolarHBondContact O-N 3.28Å; L419-C423 PolarHBondContact O-N 2.81Å; L419-C423 VanDerWaalsContact O-N 3.09Å; L419-C423 PolarHBondContact O-SG 3.13Å; L419-C423 VanDerWaalsContact O-SG 3.39Å; L419-E556 HydrophobicContact CD2-CB 4.41Å; L419-E556 HydrophobicContact CD2-CG 3.98Å; L419-E556 WeakPolarHBondContact CG-OE1 3.45Å; L419-V580 HydrophobicContact CD2-CG1 3.87Å; L419-H588 HydrophobicContact CD1-CB 3.94Å; L419-Y589 HydrophobicContact CB-CD2 4.34Å; L419-Y589 HydrophobicContact CB-CE2 3.93Å
420	E	97.3	Very high	97.8	Very high	76 Å²	76	33.9 Å²	33.9	36%	0.355	17%	0.165	S	C	.	.	H	α-helix	trans	-71.6	-37.7	175.5	-66.3	-176.5	171.7	0	0	111.6	S417 M422 C423 L424 Y589	S417-E420 PolarHBondContact O-N 3.08Å; S417-E420 PolarHBondContact OG-N 2.92Å; E420-M422 VanDerWaalsContact C-N 3.28Å; E420-M422 PolarHBondContact O-N 3.01Å; E420-C423 WeakPolarHBondContact O-CB 3.18Å; E420-C423 PolarHBondContact O-N 3.4Å; E420-L424 PolarHBondContact O-N 3.36Å; E420-Y589 WeakPolarHBondContact CG-OH 3.45Å; E420-Y589 PolarHBondContact OE1-OH 3.1Å
421	Q	98.5	Very high	97.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-57.1	-43.7	170.1	-172.3	170.2	88.3	0	0	110.4	A412 C415 S417 C423 L424 V425 F515 S518 N520 Y522	A412-Q421 HydrophobicContact CB-CG 4.13Å; A412-Q421 PolarHBondContact O-NE2 2.84Å; C415-Q421 HydrophobicContact CB-CB 3.97Å; S417-Q421 WeakPolarHBondContact O-CB 3.42Å; S417-Q421 PolarHBondContact O-N 3.47Å; Q421-C423 PolarHBondContact O-N 2.83Å; Q421-L424 PolarHBondContact O-N 2.89Å; Q421-V425 WeakPolarHBondContact O-CG2 3.33Å; Q421-V425 PolarHBondContact O-N 2.71Å; Q421-F515 HydrophobicContact CG-CD2 4.2Å; Q421-F515 HydrophobicContact CG-CE2 3.9Å; Q421-F515 HydrophobicContact CG-CZ 4.32Å; Q421-S518 PolarHBondContact OE1-OG 2.88Å; Q421-N520 PolarHBondContact OE1-ND2 3.49Å; Q421-Y522 HydrophobicContact CG-CE2 4.1Å; Q421-Y522 WeakPolarHBondContact CG-OH 3.47Å; Q421-Y522 PolarHBondContact OE1-OH 2.76Å
422	M	98.7	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-42.9	175	-176.5	69.7	85.1	0	0	112.5	S418 L419 E420 L424 V425 A426 Y522 I549 N551 E556 C558 V580	S418-M422 WeakPolarHBondContact O-CB 2.95Å; S418-M422 PolarHBondContact O-N 2.8Å; L419-M422 WeakPolarHBondContact O-CB 2.97Å; L419-M422 PolarHBondContact O-N 3.28Å; E420-M422 VanDerWaalsContact C-N 3.28Å; E420-M422 PolarHBondContact O-N 3.01Å; M422-L424 VanDerWaalsContact C-N 3.3Å; M422-L424 PolarHBondContact O-N 2.82Å; M422-V425 PolarHBondContact O-N 2.87Å; M422-A426 WeakPolarHBondContact O-CB 3.45Å; M422-A426 PolarHBondContact O-N 2.81Å; M422-Y522 HydrophobicContact CB-CE1 4.15Å; M422-Y522 HydrophobicContact CE-CD1 3.81Å; M422-Y522 HydrophobicContact CE-CE1 3.57Å; M422-Y522 HydrophobicContact SD-CD1 3.68Å; M422-Y522 HydrophobicContact SD-CE1 3.58Å; M422-Y522 VanDerWaalsContact SD-CE1 3.58Å; M422-I549 HydrophobicContact SD-CB 3.98Å; M422-I549 HydrophobicContact SD-CG2 3.62Å; M422-N551 HydrophobicContact CE-CB 3.86Å; M422-E556 HydrophobicContact CE-CB 4.17Å; M422-E556 VanDerWaalsContact CE-O 3.31Å; M422-E556 WeakPolarHBondContact CE-O 3.38Å; M422-C558 HydrophobicContact CG-CB 3.66Å; M422-C558 HydrophobicContact SD-CB 3.78Å; M422-V580 HydrophobicContact CB-CG1 4.08Å; M422-V580 HydrophobicContact CG-CG1 3.79Å; M422-V580 HydrophobicContact CG-CG2 4.28Å
423	C	98.7	Very high	97.6	Very high	3 Å²	3	30 Å²	30	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-56.8	-42.5	175.4	-70.3	0	0	0	0	112.4	L419 E420 Q421 A426 A427 L591 L630	L419-C423 PolarHBondContact O-N 2.81Å; L419-C423 VanDerWaalsContact O-N 3.09Å; L419-C423 PolarHBondContact O-SG 3.13Å; L419-C423 VanDerWaalsContact O-SG 3.39Å; E420-C423 WeakPolarHBondContact O-CB 3.18Å; E420-C423 PolarHBondContact O-N 3.4Å; Q421-C423 PolarHBondContact O-N 2.83Å; C423-A426 PolarHBondContact O-N 3.04Å; C423-A427 PolarHBondContact O-N 3.09Å; C423-L591 HydrophobicContact CB-CD2 4.28Å; C423-L630 HydrophobicContact CB-CD1 3.99Å; C423-L630 WeakPolarHBondContact O-CD1 3.47Å
424	L	98.8	Very high	97.5	Very high	18 Å²	18	29.1 Å²	29.1	9%	0.094	14%	0.142	C	C	.	.	H	α-helix	trans	-71.7	-37.7	178.1	-70.9	169.8	0	0	0	112.7	L408 K411 A412 C415 E420 Q421 M422 A426 A427 F428 L630	L408-L424 HydrophobicContact CD2-CD2 4.15Å; K411-L424 HydrophobicContact CB-CD1 4Å; A412-L424 HydrophobicContact CB-CB 3.82Å; A412-L424 HydrophobicContact CB-CD1 4.02Å; C415-L424 VanDerWaalsContact SG-CD1 3.52Å; E420-L424 PolarHBondContact O-N 3.36Å; Q421-L424 PolarHBondContact O-N 2.89Å; M422-L424 VanDerWaalsContact C-N 3.3Å; M422-L424 PolarHBondContact O-N 2.82Å; L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A427 PolarHBondContact O-N 3.18Å; L424-F428 WeakPolarHBondContact O-CB 3.24Å; L424-F428 PolarHBondContact O-N 2.63Å; L424-L630 HydrophobicContact CD2-CD2 4.18Å
425	V	98.8	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-41.3	172.6	176.1	0	0	0	0	110.6	Q421 M422 F428 S429 L513 F515 Y522 W524 I549	Q421-V425 WeakPolarHBondContact O-CG2 3.33Å; Q421-V425 PolarHBondContact O-N 2.71Å; M422-V425 PolarHBondContact O-N 2.87Å; V425-F428 WeakPolarHBondContact O-CB 3.19Å; V425-F428 PolarHBondContact O-N 3.02Å; V425-S429 PolarHBondContact O-N 2.76Å; V425-L513 HydrophobicContact CG1-CD2 4.04Å; V425-L513 HydrophobicContact CG2-CD2 3.73Å; V425-F515 HydrophobicContact CG2-CE2 3.78Å; V425-F515 HydrophobicContact CG2-CZ 4.04Å; V425-Y522 HydrophobicContact CG1-CD1 4.37Å; V425-Y522 HydrophobicContact CG1-CG 4.29Å; V425-Y522 HydrophobicContact CG2-CD1 4.4Å; V425-Y522 HydrophobicContact CG2-CD2 4.22Å; V425-Y522 HydrophobicContact CG2-CE1 4.48Å; V425-Y522 HydrophobicContact CG2-CE2 4.33Å; V425-Y522 HydrophobicContact CG2-CG 4.26Å; V425-W524 HydrophobicContact CG1-CE3 4.4Å; V425-W524 HydrophobicContact CG1-CH2 4.24Å; V425-W524 HydrophobicContact CG1-CZ3 3.98Å; V425-I549 HydrophobicContact CG1-CD1 4.47Å; V425-I549 HydrophobicContact CG1-CG2 4.03Å
426	A	98.8	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-46.1	175.1	0	0	0	0	0	112	M422 C423 L424 F428 S429 V430 I549 L560 L591	M422-A426 WeakPolarHBondContact O-CB 3.45Å; M422-A426 PolarHBondContact O-N 2.81Å; C423-A426 PolarHBondContact O-N 3.04Å; L424-A426 VanDerWaalsContact C-N 3.31Å; A426-F428 VanDerWaalsContact C-N 3.32Å; A426-F428 PolarHBondContact O-N 2.7Å; A426-S429 PolarHBondContact O-N 3.41Å; A426-V430 WeakPolarHBondContact O-CG2 3.44Å; A426-V430 PolarHBondContact O-N 2.86Å; A426-I549 HydrophobicContact CB-CD1 3.87Å; A426-L560 HydrophobicContact CB-CD1 4.14Å; A426-L560 HydrophobicContact CB-CD2 4.37Å; A426-L591 HydrophobicContact CB-CD1 3.44Å; A426-L591 VanDerWaalsContact CB-CD1 3.44Å
427	A	98.8	Very high	97.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.2	-41.5	174.4	0	0	0	0	0	112.1	L408 C423 L424 V430 S431 M599 L630 W631	L408-A427 HydrophobicContact CD1-CB 4.31Å; C423-A427 PolarHBondContact O-N 3.09Å; L424-A427 PolarHBondContact O-N 3.18Å; A427-V430 PolarHBondContact O-N 3.26Å; A427-S431 WeakPolarHBondContact O-CB 3.38Å; A427-S431 PolarHBondContact O-N 3.42Å; A427-M599 HydrophobicContact CB-CB 4.44Å; A427-L630 HydrophobicContact CB-CB 3.82Å; A427-L630 HydrophobicContact CB-CD1 4.04Å; A427-W631 HydrophobicContact CB-CB 4.16Å
428	F	98.8	Very high	96.9	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.022	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-46.9	174.8	173.6	-100.2	0	0	0	111.5	D402 L408 L409 L424 V425 A426 V430 S431 S432 L488 W524	D402-F428 WeakPolarHBondContact O-CE2 3.16Å; D402-F428 VanDerWaalsContact O-CZ 3.26Å; D402-F428 WeakPolarHBondContact O-CZ 3.19Å; L408-F428 HydrophobicContact CB-CB 4.1Å; L408-F428 HydrophobicContact CD1-CB 4.08Å; L409-F428 HydrophobicContact CD1-CD1 4.33Å; L409-F428 HydrophobicContact CD1-CD2 4.21Å; L409-F428 HydrophobicContact CD1-CE1 4Å; L409-F428 HydrophobicContact CD1-CE2 3.87Å; L409-F428 HydrophobicContact CD1-CG 4.43Å; L409-F428 HydrophobicContact CD1-CZ 3.76Å; L409-F428 HydrophobicContact CD2-CB 3.95Å; L409-F428 HydrophobicContact CD2-CD1 3.76Å; L409-F428 HydrophobicContact CD2-CD2 4Å; L409-F428 HydrophobicContact CD2-CE1 4.27Å; L409-F428 HydrophobicContact CD2-CE2 4.48Å; L409-F428 HydrophobicContact CD2-CG 3.61Å; L409-F428 HydrophobicContact CG-CD1 4.28Å; L409-F428 HydrophobicContact CG-CD2 3.82Å; L409-F428 HydrophobicContact CG-CE1 4.43Å; L409-F428 HydrophobicContact CG-CE2 3.98Å; L409-F428 HydrophobicContact CG-CG 3.98Å; L409-F428 HydrophobicContact CG-CZ 4.29Å; L424-F428 WeakPolarHBondContact O-CB 3.24Å; L424-F428 PolarHBondContact O-N 2.63Å; V425-F428 WeakPolarHBondContact O-CB 3.19Å; V425-F428 PolarHBondContact O-N 3.02Å; A426-F428 VanDerWaalsContact C-N 3.32Å; A426-F428 PolarHBondContact O-N 2.7Å; F428-V430 VanDerWaalsContact C-N 3.34Å; F428-V430 PolarHBondContact O-N 3.36Å; F428-S431 PolarHBondContact O-N 2.91Å; F428-S431 PolarHBondContact O-OG 3.38Å; F428-S432 PolarHBondContact O-N 3.16Å; F428-L488 HydrophobicContact CE1-CD1 3.78Å; F428-L488 HydrophobicContact CZ-CD1 4.03Å; F428-W524 HydrophobicContact CD1-CH2 4.43Å; F428-W524 HydrophobicContact CD1-CZ2 4.2Å; F428-W524 HydrophobicContact CE1-CH2 4.47Å; F428-W524 HydrophobicContact CE1-CZ2 4.23Å
429	S	98.3	Very high	96.6	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-58.5	-44.6	177.1	-175.6	0	0	0	0	112.1	V425 A426 S432 W524	V425-S429 PolarHBondContact O-N 2.76Å; A426-S429 PolarHBondContact O-N 3.41Å; S429-S432 PolarHBondContact O-OG 2.91Å; S429-W524 PolarHBondContact OG-NE1 2.72Å
430	V	98.5	Very high	96.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.3	-41.9	177.5	175	0	0	0	0	111.4	A426 A427 F428 S432 Y433 L560 F562 V576 W595 M599 W631	A426-V430 WeakPolarHBondContact O-CG2 3.44Å; A426-V430 PolarHBondContact O-N 2.86Å; A427-V430 PolarHBondContact O-N 3.26Å; F428-V430 VanDerWaalsContact C-N 3.34Å; F428-V430 PolarHBondContact O-N 3.36Å; V430-S432 PolarHBondContact O-N 2.75Å; V430-S432 VanDerWaalsContact O-N 3.16Å; V430-Y433 WeakPolarHBondContact O-CD2 3.35Å; V430-Y433 PolarHBondContact O-N 3.4Å; V430-Y433 VanDerWaalsContact O-N 3.17Å; V430-L560 HydrophobicContact CG2-CD1 3.95Å; V430-L560 HydrophobicContact CG2-CD2 4.34Å; V430-F562 HydrophobicContact CG2-CZ 4.03Å; V430-V576 HydrophobicContact CG1-CG2 4.44Å; V430-V576 HydrophobicContact CG2-CG1 4.08Å; V430-W595 HydrophobicContact CG1-CB 3.93Å; V430-M599 HydrophobicContact CG1-SD 4.32Å; V430-M599 HydrophobicContact CG2-SD 4.4Å; V430-W631 HydrophobicContact CG1-CZ3 4.4Å
431	S	98.3	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.4	-29.8	-175.1	75.7	0	0	0	0	114.2	Y405 A427 F428 Y433 S434 W631	Y405-S431 VanDerWaalsContact CD2-CB 3.46Å; Y405-S431 WeakPolarHBondContact CD2-OG 3.22Å; A427-S431 WeakPolarHBondContact O-CB 3.38Å; A427-S431 PolarHBondContact O-N 3.42Å; F428-S431 PolarHBondContact O-N 2.91Å; F428-S431 PolarHBondContact O-OG 3.38Å; S431-Y433 PolarHBondContact O-N 3.19Å; S431-S434 VanDerWaalsContact O-CB 3.29Å; S431-S434 WeakPolarHBondContact O-CB 3.35Å; S431-S434 PolarHBondContact O-N 3.45Å; S431-S434 PolarHBondContact O-OG 3.02Å; S431-W631 VanDerWaalsContact CB-CE2 3.49Å
432	S	96.2	Very high	95.2	Very high	12 Å²	12	17 Å²	17	8%	0.084	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25	178.8	70.2	0	0	0	0	114	F428 S429 V430	F428-S432 PolarHBondContact O-N 3.16Å; S429-S432 PolarHBondContact O-OG 2.91Å; V430-S432 PolarHBondContact O-N 2.75Å; V430-S432 VanDerWaalsContact O-N 3.16Å
433	Y	97.1	Very high	95	Very high	9 Å²	9	18 Å²	18	4%	0.035	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-15	178	-61	-78.9	0	0	0	113.4	V430 S431 T435 T436 K526 V527 Q543 I547 F562 W595	V430-Y433 WeakPolarHBondContact O-CD2 3.35Å; V430-Y433 PolarHBondContact O-N 3.4Å; V430-Y433 VanDerWaalsContact O-N 3.17Å; S431-Y433 PolarHBondContact O-N 3.19Å; Y433-T435 PolarHBondContact O-N 3.29Å; Y433-T435 VanDerWaalsContact O-N 3.15Å; Y433-T436 PolarHBondContact O-N 3.06Å; Y433-T436 PolarHBondContact O-OG1 3.47Å; Y433-K526 WeakPolarHBondContact OH-CA 3.16Å; Y433-K526 WeakPolarHBondContact OH-CB 3.46Å; Y433-K526 WeakPolarHBondContact OH-CG 3.35Å; Y433-V527 HydrophobicContact CE1-CG2 3.9Å; Y433-V527 HydrophobicContact CE2-CG2 4.35Å; Y433-V527 PolarHBondContact OH-N 3.03Å; Y433-Q543 VanDerWaalsContact CD1-CD 3.49Å; Y433-Q543 HydrophobicContact CD1-CG 3.92Å; Y433-Q543 HydrophobicContact CG-CG 4.2Å; Y433-I547 HydrophobicContact CE2-CD1 4.19Å; Y433-F562 AromaticContact CD2-CE1 3.75Å; Y433-F562 HydrophobicContact CD2-CE1 3.75Å; Y433-F562 AromaticContact CD2-CZ 3.86Å; Y433-F562 HydrophobicContact CD2-CZ 3.86Å; Y433-F562 AromaticContact CE2-CE1 3.99Å; Y433-F562 HydrophobicContact CE2-CE1 3.99Å; Y433-F562 AromaticContact CE2-CZ 3.75Å; Y433-F562 HydrophobicContact CE2-CZ 3.75Å; Y433-F562 HydrophobicContact CG-CE1 4.37Å; Y433-W595 WeakPolarHBondContact O-CZ3 3.47Å
434	S	95.9	Very high	94.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.9	-175.4	71.2	0	0	0	0	113.9	Y405 S431 T436 I437 W595 W631 K633	Y405-S434 WeakPolarHBondContact CE2-OG 3.4Å; S431-S434 VanDerWaalsContact O-CB 3.29Å; S431-S434 WeakPolarHBondContact O-CB 3.35Å; S431-S434 PolarHBondContact O-N 3.45Å; S431-S434 PolarHBondContact O-OG 3.02Å; S434-T436 VanDerWaalsContact C-N 3.32Å; S434-I437 WeakPolarHBondContact O-CD1 3.41Å; S434-W595 WeakPolarHBondContact CA-O 3.02Å; S434-W595 WeakPolarHBondContact CB-O 3.45Å; S434-W631 VanDerWaalsContact CB-CZ2 3.49Å; S434-K633 PolarHBondContact O-NZ 3.14Å
435	T	93.3	Very high	94.5	Very high	20 Å²	20	19.4 Å²	19.4	12%	0.123	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.6	177	65.8	0	0	0	0	112.7	Y433 R439	Y433-T435 PolarHBondContact O-N 3.29Å; Y433-T435 VanDerWaalsContact O-N 3.15Å; T435-R439 WeakPolarHBondContact O-CD 3.41Å
436	T	93.7	Very high	94.3	Very high	22 Å²	22	19.4 Å²	19.4	14%	0.135	11%	0.105	C	C	.	.	S	Bend	trans	-90.8	-19.1	-173.1	72.3	0	0	0	0	114.4	Y433 S434 H438 R439 I541 Q543	Y433-T436 PolarHBondContact O-N 3.06Å; Y433-T436 PolarHBondContact O-OG1 3.47Å; S434-T436 VanDerWaalsContact C-N 3.32Å; T436-H438 VanDerWaalsContact C-N 3.29Å; T436-H438 PolarHBondContact O-N 3.08Å; T436-H438 VanDerWaalsContact O-N 3.08Å; T436-R439 PolarHBondContact O-N 2.83Å; T436-I541 WeakPolarHBondContact O-CD1 3.2Å; T436-Q543 PolarHBondContact OG1-NE2 2.89Å
437	I	90.9	Very high	94.2	Very high	16 Å²	16	19.7 Å²	19.7	8%	0.082	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-45.3	-165.2	-54.6	149.7	0	0	0	113.4	S434 W595 D596 K633	S434-I437 WeakPolarHBondContact O-CD1 3.41Å; I437-W595 HydrophobicContact CB-CH2 4.47Å; I437-W595 HydrophobicContact CB-CZ3 4.31Å; I437-W595 HydrophobicContact CD1-CZ3 4.43Å; I437-W595 HydrophobicContact CG1-CE3 4.17Å; I437-W595 HydrophobicContact CG1-CH2 3.83Å; I437-W595 HydrophobicContact CG1-CZ3 3.31Å; I437-D596 HydrophobicContact CD1-CB 3.35Å; I437-D596 HydrophobicContact CG1-CB 3.68Å; I437-K633 HydrophobicContact CD1-CD 4.28Å
438	H	90	Very high	94.1	Very high	80 Å²	80	21.2 Å²	21.2	37%	0.37	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-1.3	-175.2	-57.1	-53.7	0	0	0	113.2	T436 T440 Y645	T436-H438 VanDerWaalsContact C-N 3.29Å; T436-H438 PolarHBondContact O-N 3.08Å; T436-H438 VanDerWaalsContact O-N 3.08Å; H438-T440 PolarHBondContact O-N 3Å; H438-Y645 HydrophobicContact CB-CD1 3.73Å; H438-Y645 HydrophobicContact CB-CD2 3.52Å; H438-Y645 HydrophobicContact CB-CE1 4.18Å; H438-Y645 HydrophobicContact CB-CE2 3.98Å; H438-Y645 HydrophobicContact CB-CG 3.36Å; H438-Y645 AromaticContact CD2-CD1 3.99Å; H438-Y645 AromaticContact CG-CD1 4Å
439	R	91.9	Very high	94	Very high	11 Å²	11	21.1 Å²	21.1	4%	0.042	12%	0.116	C	C	.	.			trans	-100.6	74.8	-169.4	-67.1	-168.3	55.4	-154.2	8.6	111.5	E391 R398 E401 T435 T436 A441 I541 Y644	E391-R439 IonicContact OE1-CZ 2.94Å; E391-R439 IonicContact OE1-NH2 2.94Å; E391-R439 PolarHBondContact OE1-NH2 2.84Å; E391-R439 IonicContact OE2-CZ 3.68Å; E391-R439 IonicContact OE2-NE 3.47Å; E391-R439 PolarHBondContact OE2-NE 2.96Å; E391-R439 IonicContact OE2-NH2 3.87Å; E391-R439 PolarHBondContact OE2-NH2 2.9Å; R398-R439 VanDerWaalsContact CZ-NH2 3.32Å; E401-R439 IonicContact OE1-CZ 3.68Å; E401-R439 IonicContact OE1-NH1 2.87Å; E401-R439 PolarHBondContact OE1-NH1 3.26Å; E401-R439 IonicContact OE1-NH2 3.67Å; E401-R439 PolarHBondContact OE1-NH2 2.67Å; E401-R439 IonicContact OE2-CZ 3.57Å; E401-R439 IonicContact OE2-NH1 3.71Å; E401-R439 PolarHBondContact OE2-NH1 3.41Å; T435-R439 WeakPolarHBondContact O-CD 3.41Å; T436-R439 PolarHBondContact O-N 2.83Å; R439-A441 VanDerWaalsContact C-N 3.32Å; R439-I541 WeakPolarHBondContact O-CD1 3.25Å; R439-Y644 WeakPolarHBondContact CG-O 3.43Å
440	T	87.9	Confident	94	Very high	63 Å²	63	21 Å²	21	39%	0.387	12%	0.115	S	C	.	.			trans	-81.5	-10.7	178.7	56.5	0	0	0	0	113.7	H438 L539 I541	H438-T440 PolarHBondContact O-N 3Å; T440-L539 HydrophobicContact CG2-CB 3.8Å; T440-I541 HydrophobicContact CG2-CD1 4.07Å; T440-I541 HydrophobicContact CG2-CG1 4.27Å
441	A	88.1	Confident	94	Very high	24 Å²	24	21 Å²	21	20%	0.198	12%	0.115	C	C	.	.	S	Bend	trans	-72.8	145.4	174.5	0	0	0	0	0	111.2	E391 R439	E391-A441 HydrophobicContact CB-CB 3.94Å; E391-A441 HydrophobicContact CG-CB 4.48Å; R439-A441 VanDerWaalsContact C-N 3.32Å
442	K	88.8	Confident	94	Very high	72 Å²	72	21 Å²	21	31%	0.313	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.6	-177.4	-170	-163.5	168.2	-168.7	0	110.1	M385 F389 N390 E391	M385-K442 HydrophobicContact CB-CD 4.48Å; M385-K442 HydrophobicContact CG-CD 3.95Å; F389-K442 PolarHBondContact O-N 2.89Å; N390-K442 CarbonylContact C-O 3.47Å; N390-K442 WeakPolarHBondContact CA-O 3.09Å; N390-K442 WeakPolarHBondContact CB-O 3.32Å; N390-K442 PolarHBondContact ND2-O 3.33Å; E391-K442 PolarHBondContact N-O 2.72Å; E391-K442 VanDerWaalsContact N-O 3.09Å
443	P	93.6	Very high	94.1	Very high	20 Å²	20	20.5 Å²	20.5	13%	0.13	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	158.2	167.9	26.2	-33.3	0	0	0	111.4	N390 E391 L393 M395 R398 N445	N390-P443 PolarHBondContact ND2-O 3.24Å; E391-P443 HydrophobicContact CG-CB 4.38Å; L393-P443 CarbonylContact O-C 3.54Å; L393-P443 WeakPolarHBondContact O-CA 3.35Å; L393-P443 VanDerWaalsContact O-CB 3.24Å; L393-P443 WeakPolarHBondContact O-CB 3.44Å; M395-P443 HydrophobicContact CB-CG 4.39Å; M395-P443 HydrophobicContact SD-CG 3.68Å; R398-P443 HydrophobicContact CB-CB 4.28Å; R398-P443 HydrophobicContact CB-CG 4.32Å; R398-P443 HydrophobicContact CG-CG 4.39Å; P443-N445 PolarHBondContact O-N 2.85Å
444	F	93.9	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.1	171.8	-77.4	-99.7	0	0	0	109.8	V387 N390 E391 L393 M395 P446 D670 Q671 M674 K686	V387-F444 HydrophobicContact CG1-CZ 4.07Å; V387-F444 HydrophobicContact CG2-CE1 4.38Å; V387-F444 HydrophobicContact CG2-CZ 4.5Å; N390-F444 HydrophobicContact CB-CD2 4.22Å; N390-F444 HydrophobicContact CB-CE2 3.86Å; N390-F444 HydrophobicContact CB-CZ 4.16Å; E391-F444 VanDerWaalsContact O-CD2 3.3Å; E391-F444 WeakPolarHBondContact O-CD2 3.26Å; E391-F444 WeakPolarHBondContact O-CE2 3.36Å; L393-F444 PolarHBondContact O-N 2.59Å; M395-F444 PolarHBondContact N-O 3.04Å; F444-P446 WeakPolarHBondContact O-CD 3.34Å; F444-D670 WeakPolarHBondContact CD1-OD2 3.37Å; F444-D670 HydrophobicContact CE1-CB 4.29Å; F444-D670 WeakPolarHBondContact CE1-OD2 3.37Å; F444-Q671 HydrophobicContact CD2-CB 4.3Å; F444-Q671 HydrophobicContact CD2-CG 4.28Å; F444-Q671 HydrophobicContact CE2-CB 4.26Å; F444-Q671 HydrophobicContact CE2-CG 4.35Å; F444-M674 HydrophobicContact CE2-CB 4.47Å; F444-M674 HydrophobicContact CE2-SD 3.34Å; F444-M674 WeakPolarHBondContact CE2-SD 3.44Å; F444-M674 HydrophobicContact CZ-CB 4.16Å; F444-M674 HydrophobicContact CZ-CG 4.47Å; F444-M674 HydrophobicContact CZ-SD 3.49Å; F444-M674 WeakPolarHBondContact CZ-SD 3.46Å; F444-K686 HydrophobicContact CE1-CD 4.23Å
445	N	92.8	Very high	94.2	Very high	50 Å²	50	22.1 Å²	22.1	27%	0.267	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-72.1	121	172.8	-170	24.6	0	0	0	107.8	P443 H471 R668	P443-N445 PolarHBondContact O-N 2.85Å; N445-H471 PolarHBondContact ND2-CE1 3.47Å; N445-R668 PolarHBondContact O-NH1 3.5Å
446	P	95.5	Very high	94.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-64	146.8	-176.9	-17.9	30.7	0	0	0	111.1	S394 M395 L396 F444 E450 Q468	S394-P446 WeakPolarHBondContact OG-CG 3.25Å; M395-P446 HydrophobicContact CB-CG 3.71Å; L396-P446 HydrophobicContact CD1-CB 4.17Å; L396-P446 HydrophobicContact CD1-CG 4.49Å; L396-P446 HydrophobicContact CD2-CB 4.21Å; L396-P446 HydrophobicContact CD2-CG 3.85Å; L396-P446 HydrophobicContact CG-CB 3.88Å; L396-P446 HydrophobicContact CG-CG 3.66Å; F444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-E450 WeakPolarHBondContact CA-OE2 3.16Å; P446-E450 HydrophobicContact CB-CB 4.16Å; P446-E450 HydrophobicContact CB-CG 4.48Å; P446-Q468 HydrophobicContact CB-CB 3.89Å; P446-Q468 HydrophobicContact CB-CG 3.99Å; P446-Q468 VanDerWaalsContact CG-OE1 3.25Å
447	L	96	Very high	94.2	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.026	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-71.3	153.3	171	-59	178.4	0	0	0	110.1	G449 E450 Q468 L689 Q693 I762 F763	L447-G449 PolarHBondContact O-N 2.87Å; L447-E450 HydrophobicContact CB-CB 4.23Å; L447-E450 PolarHBondContact N-OE2 2.91Å; L447-E450 WeakPolarHBondContact O-CB 3.49Å; L447-E450 PolarHBondContact O-N 2.82Å; L447-Q468 WeakPolarHBondContact O-CB 3.48Å; L447-Q468 WeakPolarHBondContact O-CG 3.41Å; L447-L689 HydrophobicContact CD1-CB 4.25Å; L447-L689 HydrophobicContact CD1-CD1 4.43Å; L447-L689 HydrophobicContact CD1-CD2 4.05Å; L447-L689 HydrophobicContact CD1-CG 4.5Å; L447-L689 HydrophobicContact CD2-CB 4.44Å; L447-Q693 HydrophobicContact CD2-CB 4.48Å; L447-Q693 VanDerWaalsContact CD2-OE1 3.3Å; L447-I762 HydrophobicContact CB-CD1 4.47Å; L447-F763 HydrophobicContact CD1-CD1 3.87Å; L447-F763 HydrophobicContact CD1-CE1 4.1Å
448	L	96.4	Very high	94.2	Very high	32 Å²	32	29.6 Å²	29.6	17%	0.168	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	123.7	176.4	-176.7	64.5	0	0	0	109.8	E450 H471 R700 Y723	L448-E450 VanDerWaalsContact C-N 3.3Å; L448-H471 HydrophobicContact CB-CB 4.3Å; L448-H471 HydrophobicContact CD1-CB 4.3Å; L448-R700 VanDerWaalsContact CD2-NH1 3.33Å; L448-Y723 HydrophobicContact CD1-CD1 3.73Å; L448-Y723 HydrophobicContact CD1-CE1 3.51Å; L448-Y723 HydrophobicContact CD1-CG 4.49Å; L448-Y723 HydrophobicContact CD2-CD1 3.93Å; L448-Y723 HydrophobicContact CD2-CD2 4.1Å; L448-Y723 HydrophobicContact CD2-CE1 4.23Å; L448-Y723 HydrophobicContact CD2-CE2 4.36Å; L448-Y723 HydrophobicContact CD2-CG 3.86Å; L448-Y723 HydrophobicContact CG-CD1 3.96Å; L448-Y723 HydrophobicContact CG-CD2 4.41Å; L448-Y723 HydrophobicContact CG-CE1 3.75Å; L448-Y723 HydrophobicContact CG-CE2 4.19Å; L448-Y723 HydrophobicContact CG-CG 4.28Å
449	G	97	Very high	94.3	Very high	4 Å²	4	28 Å²	28	4%	0.041	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	1.3	-173	0	0	0	0	0	115	L447 Q468 Y723	L447-G449 PolarHBondContact O-N 2.87Å; G449-Q468 PolarHBondContact N-O 3.18Å; G449-Y723 WeakPolarHBondContact CA-OH 3.25Å; G449-Y723 PolarHBondContact N-OH 2.91Å
450	E	98.4	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.			trans	-59.8	137.9	167.1	-168.5	-179.7	132.2	0	0	109.3	S394 L396 P446 L447 L448 E467 Q468 S665 R668 I762 F763	S394-E450 WeakPolarHBondContact CB-OE1 3.35Å; S394-E450 PolarHBondContact OG-OE1 3.38Å; L396-E450 HydrophobicContact CD1-CB 4.24Å; L396-E450 HydrophobicContact CD1-CG 4.14Å; L396-E450 VanDerWaalsContact CD1-O 3.28Å; L396-E450 WeakPolarHBondContact CD1-O 3.47Å; P446-E450 WeakPolarHBondContact CA-OE2 3.16Å; P446-E450 HydrophobicContact CB-CB 4.16Å; P446-E450 HydrophobicContact CB-CG 4.48Å; L447-E450 HydrophobicContact CB-CB 4.23Å; L447-E450 PolarHBondContact N-OE2 2.91Å; L447-E450 WeakPolarHBondContact O-CB 3.49Å; L447-E450 PolarHBondContact O-N 2.82Å; L448-E450 VanDerWaalsContact C-N 3.3Å; E450-E467 CarbonylContact O-C 3.57Å; E450-E467 WeakPolarHBondContact O-CA 3.4Å; E450-Q468 PolarHBondContact O-N 3.45Å; E450-S665 WeakPolarHBondContact OE1-CB 3.24Å; E450-S665 PolarHBondContact OE1-OG 2.84Å; E450-R668 IonicContact OE1-NH1 3.61Å; E450-R668 IonicContact OE2-CZ 3.23Å; E450-R668 IonicContact OE2-NH1 3.37Å; E450-R668 PolarHBondContact OE2-NH1 2.89Å; E450-I762 HydrophobicContact CB-CD1 3.87Å; E450-I762 HydrophobicContact CG-CD1 4.41Å; E450-F763 HydrophobicContact CG-CE1 4.34Å; E450-F763 HydrophobicContact CG-CZ 4.23Å
451	T	98.6	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	159	178.6	56.1	0	0	0	0	110.3	C466 E467 T663 D664 S665	T451-C466 CarbonylContact C-O 3.54Å; T451-C466 WeakPolarHBondContact CA-O 3.42Å; T451-E467 HydrophobicContact CG2-CB 4.31Å; T451-E467 HydrophobicContact CG2-CG 4.13Å; T451-T663 WeakPolarHBondContact CG2-OG1 3.43Å; T451-T663 PolarHBondContact N-O 3.43Å; T451-T663 VanDerWaalsContact OG1-C 3.24Å; T451-T663 WeakPolarHBondContact OG1-CB 2.9Å; T451-T663 PolarHBondContact OG1-O 2.91Å; T451-T663 PolarHBondContact OG1-OG1 3.11Å; T451-D664 CarbonylContact O-C 3.52Å; T451-D664 WeakPolarHBondContact O-CA 3.33Å; T451-D664 PolarHBondContact OG1-N 2.91Å; T451-S665 PolarHBondContact O-N 2.98Å; T451-S665 PolarHBondContact O-OG 2.8Å
452	Y	98.8	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	127	164.9	176.4	-110	0	0	0	109.5	Q397 T400 L454 C466 L653 D664 R666	Q397-Y452 HydrophobicContact CB-CD1 4.47Å; Q397-Y452 HydrophobicContact CB-CE1 4.37Å; Q397-Y452 HydrophobicContact CG-CD1 3.81Å; Q397-Y452 HydrophobicContact CG-CD2 3.53Å; Q397-Y452 HydrophobicContact CG-CE1 3.75Å; Q397-Y452 HydrophobicContact CG-CE2 3.49Å; Q397-Y452 VanDerWaalsContact CG-CE2 3.49Å; Q397-Y452 HydrophobicContact CG-CG 3.69Å; T400-Y452 HydrophobicContact CG2-CE1 4.01Å; T400-Y452 WeakPolarHBondContact OG1-CD1 3.21Å; T400-Y452 WeakPolarHBondContact OG1-CE1 3.09Å; Y452-L454 HydrophobicContact CE1-CB 4.16Å; Y452-C466 PolarHBondContact N-O 3.27Å; Y452-C466 PolarHBondContact O-N 3.17Å; Y452-L653 HydrophobicContact CE1-CD2 4.27Å; Y452-L653 WeakPolarHBondContact CE2-O 3.38Å; Y452-L653 VanDerWaalsContact OH-CA 3.27Å; Y452-L653 WeakPolarHBondContact OH-CA 3.5Å; Y452-L653 WeakPolarHBondContact OH-CB 2.94Å; Y452-L653 WeakPolarHBondContact OH-CD2 3.44Å; Y452-L653 PolarHBondContact OH-O 3.45Å; Y452-D664 WeakPolarHBondContact CA-OD2 3.38Å; Y452-R666 HydrophobicContact CE2-CG 4.43Å
453	E	98.3	Very high	95.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143.7	170.8	59.5	162.4	-160.1	0	0	112.8	S464 L465 V660 D664 R666 Y747 W748 K751	E453-S464 CarbonylContact C-O 3.6Å; E453-S464 VanDerWaalsContact CA-O 3.31Å; E453-S464 WeakPolarHBondContact CA-O 3.47Å; E453-L465 HydrophobicContact CB-CD1 4.47Å; E453-V660 HydrophobicContact CG-CG1 4.44Å; E453-V660 WeakPolarHBondContact OE1-CG1 3.23Å; E453-D664 PolarHBondContact N-OD2 2.95Å; E453-D664 VanDerWaalsContact N-OD2 3.12Å; E453-R666 VanDerWaalsContact O-CZ 3.29Å; E453-R666 PolarHBondContact O-NH1 3.33Å; E453-R666 PolarHBondContact O-NH2 3.47Å; E453-Y747 HydrophobicContact CB-CE1 3.97Å; E453-Y747 WeakPolarHBondContact CB-OH 3.3Å; E453-Y747 HydrophobicContact CG-CE1 4.36Å; E453-Y747 VanDerWaalsContact CG-OH 3.25Å; E453-Y747 WeakPolarHBondContact CG-OH 3.42Å; E453-Y747 VanDerWaalsContact OE2-CE1 3.29Å; E453-Y747 WeakPolarHBondContact OE2-CE1 3.25Å; E453-Y747 PolarHBondContact OE2-OH 3.44Å; E453-W748 HydrophobicContact CB-CH2 4.05Å; E453-W748 HydrophobicContact CB-CZ3 4.38Å; E453-W748 WeakPolarHBondContact OE2-CZ3 3.41Å; E453-K751 WeakPolarHBondContact OE1-CE 3.37Å; E453-K751 IonicContact OE1-NZ 3.95Å; E453-K751 PolarHBondContact OE1-NZ 3.4Å; E453-K751 WeakPolarHBondContact OE2-CD 3.29Å; E453-K751 WeakPolarHBondContact OE2-CE 3.24Å; E453-K751 IonicContact OE2-NZ 2.58Å; E453-K751 PolarHBondContact OE2-NZ 2.85Å
454	L	97.7	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	95.3	165	179.9	67.5	0	0	0	108.3	T400 Y452 R456 Y462 R463 S464 L649 L653	T400-L454 HydrophobicContact CG2-CB 3.77Å; T400-L454 HydrophobicContact CG2-CD2 3.43Å; T400-L454 VanDerWaalsContact CG2-CD2 3.43Å; T400-L454 HydrophobicContact CG2-CG 4.23Å; Y452-L454 HydrophobicContact CE1-CB 4.16Å; L454-R456 HydrophobicContact CD1-CG 4.01Å; L454-R456 VanDerWaalsContact CD1-CZ 3.44Å; L454-R456 HydrophobicContact CG-CG 4.01Å; L454-Y462 HydrophobicContact CD2-CE2 4.04Å; L454-Y462 HydrophobicContact CG-CE2 4.46Å; L454-R463 CarbonylContact O-C 3.53Å; L454-R463 VanDerWaalsContact O-CA 3.29Å; L454-R463 WeakPolarHBondContact O-CA 3.26Å; L454-S464 PolarHBondContact N-O 3.12Å; L454-S464 PolarHBondContact O-N 2.99Å; L454-L649 HydrophobicContact CD2-CD1 4.18Å; L454-L653 HydrophobicContact CD1-CD2 4.21Å; L454-L653 HydrophobicContact CD2-CD2 4.21Å
455	D	96.1	Very high	96.1	Very high	43 Å²	43	25.1 Å²	25.1	23%	0.23	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110	178.3	-163.8	-10.4	0	0	0	110	L457 W748 K751	D455-L457 PolarHBondContact OD1-N 2.93Å; D455-W748 HydrophobicContact CB-CZ3 4.23Å; D455-K751 IonicContact OD2-NZ 3.49Å; D455-K751 PolarHBondContact OD2-NZ 2.82Å
456	R	95	Very high	96.3	Very high	6 Å²	6	22.8 Å²	22.8	2%	0.023	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	29.9	178.3	-62.3	-65.8	179.6	-97.6	5.6	110.4	L454 E458 E459 F460 G461 Y462 E657	L454-R456 HydrophobicContact CD1-CG 4.01Å; L454-R456 VanDerWaalsContact CD1-CZ 3.44Å; L454-R456 HydrophobicContact CG-CG 4.01Å; R456-E458 VanDerWaalsContact C-N 3.32Å; R456-E458 PolarHBondContact O-N 3.44Å; R456-E459 PolarHBondContact O-N 3.04Å; R456-F460 HydrophobicContact CB-CB 4.27Å; R456-F460 HydrophobicContact CB-CD2 3.77Å; R456-F460 HydrophobicContact CB-CG 4.46Å; R456-F460 HydrophobicContact CG-CD2 4.04Å; R456-F460 PolarHBondContact O-N 3.08Å; R456-G461 PolarHBondContact O-N 3.43Å; R456-Y462 CarbonylContact C-O 3.59Å; R456-Y462 VanDerWaalsContact CA-O 3.29Å; R456-Y462 WeakPolarHBondContact CA-O 3.48Å; R456-Y462 HydrophobicContact CB-CE1 4.32Å; R456-Y462 HydrophobicContact CB-CE2 4.36Å; R456-Y462 PolarHBondContact N-O 3.28Å; R456-E657 IonicContact CZ-OE1 2.92Å; R456-E657 IonicContact NH1-OE1 3.79Å; R456-E657 PolarHBondContact NH1-OE1 2.7Å; R456-E657 VanDerWaalsContact NH1-OE1 3.15Å; R456-E657 IonicContact NH1-OE2 2.88Å; R456-E657 IonicContact NH2-OE1 3.61Å; R456-E657 PolarHBondContact NH2-OE1 3.03Å
457	L	93	Very high	96.5	Very high	37 Å²	37	22.8 Å²	22.8	19%	0.194	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-45.3	-178.9	-81.1	179.3	0	0	0	111.7	D455 G461 Y462 R463 Q483	D455-L457 PolarHBondContact OD1-N 2.93Å; L457-G461 WeakPolarHBondContact O-CA 3.38Å; L457-G461 PolarHBondContact O-N 2.93Å; L457-Y462 PolarHBondContact N-O 3.07Å; L457-R463 HydrophobicContact CD1-CG 4.19Å; L457-R463 HydrophobicContact CD2-CB 4.46Å; L457-R463 HydrophobicContact CD2-CG 4.15Å; L457-R463 HydrophobicContact CG-CB 4.04Å; L457-R463 HydrophobicContact CG-CG 4Å; L457-Q483 HydrophobicContact CD2-CG 3.96Å
458	E	91.4	Very high	96.5	Very high	173 Å²	173	22.8 Å²	22.8	81%	0.808	11%	0.11	S	C	*	.	H	α-helix	trans	-70.4	-33.6	-179	-61.5	-170.3	168.8	0	0	113.2	R456	R456-E458 VanDerWaalsContact C-N 3.32Å; R456-E458 PolarHBondContact O-N 3.44Å
459	E	91.2	Very high	96.5	Very high	46 Å²	46	21.4 Å²	21.4	22%	0.215	10%	0.103	C	C	.	.	H	α-helix	trans	-87.7	-46.7	-174.5	-65.9	178	-130.1	0	0	112.6	H354 R456	H354-E459 IonicContact CD2-OE2 3.78Å; H354-E459 IonicContact CE1-OE1 2.7Å; H354-E459 PolarHBondContact CE1-OE1 2.91Å; H354-E459 VanDerWaalsContact CE1-OE1 3.26Å; H354-E459 IonicContact CE1-OE2 2.72Å; H354-E459 IonicContact NE2-OE1 3.91Å; H354-E459 PolarHBondContact NE2-OE1 3.1Å; H354-E459 IonicContact NE2-OE2 2.84Å; H354-E459 PolarHBondContact NE2-OE2 3.11Å; R456-E459 PolarHBondContact O-N 3.04Å
460	F	93.6	Very high	96.3	Very high	74 Å²	74	22.9 Å²	22.9	33%	0.325	11%	0.112	S	C	.	.	H	α-helix	trans	-126.6	-8.3	-169	-58.7	-48.4	0	0	0	113.6	H406 R456 Y462 R484	H406-F460 AromaticContact NE2-CG 3.79Å; R456-F460 HydrophobicContact CB-CB 4.27Å; R456-F460 HydrophobicContact CB-CD2 3.77Å; R456-F460 HydrophobicContact CB-CG 4.46Å; R456-F460 HydrophobicContact CG-CD2 4.04Å; R456-F460 PolarHBondContact O-N 3.08Å; F460-Y462 HydrophobicContact CB-CD1 3.67Å; F460-Y462 HydrophobicContact CB-CE1 3.51Å; F460-Y462 HydrophobicContact CD2-CE1 4.07Å; F460-Y462 HydrophobicContact CG-CE1 4.15Å; F460-R484 VanDerWaalsContact O-CZ 3.25Å; F460-R484 PolarHBondContact O-NE 2.89Å; F460-R484 VanDerWaalsContact O-NE 3.13Å; F460-R484 PolarHBondContact O-NH2 3.35Å
461	G	95.7	Very high	95.7	Very high	8 Å²	8	24.6 Å²	24.6	8%	0.082	12%	0.12	C	C	.	.	S	Bend	trans	81.5	14.7	177	0	0	0	0	0	114.4	R456 L457 S482 Q483	R456-G461 PolarHBondContact O-N 3.43Å; L457-G461 WeakPolarHBondContact O-CA 3.38Å; L457-G461 PolarHBondContact O-N 2.93Å; G461-S482 CarbonylContact O-C 3.57Å; G461-S482 WeakPolarHBondContact O-CA 3.4Å; G461-S482 PolarHBondContact O-OG 3.12Å; G461-Q483 PolarHBondContact O-N 3.19Å
462	Y	97.4	Very high	94.9	Very high	3 Å²	3	29 Å²	29	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.4	174.9	75.8	-93.5	0	0	0	112.2	L403 H406 L454 R456 L457 F460 V480 I481 W486	L403-Y462 HydrophobicContact CB-CE2 4.45Å; L403-Y462 HydrophobicContact CD1-CD2 4.16Å; L403-Y462 HydrophobicContact CD1-CE2 3.74Å; H406-Y462 HydrophobicContact CB-CD1 4.47Å; H406-Y462 HydrophobicContact CB-CE1 4.24Å; H406-Y462 AromaticContact CD2-CE1 3.44Å; H406-Y462 VanDerWaalsContact CD2-CE1 3.44Å; H406-Y462 WeakPolarHBondContact CD2-CE1 3.44Å; H406-Y462 AromaticContact CE1-CE1 3.84Å; H406-Y462 AromaticContact CG-CD1 3.89Å; H406-Y462 AromaticContact CG-CE1 3.54Å; H406-Y462 AromaticContact ND1-CD1 3.78Å; H406-Y462 AromaticContact ND1-CE1 3.79Å; H406-Y462 AromaticContact NE2-CE1 3.63Å; L454-Y462 HydrophobicContact CD2-CE2 4.04Å; L454-Y462 HydrophobicContact CG-CE2 4.46Å; R456-Y462 CarbonylContact C-O 3.59Å; R456-Y462 VanDerWaalsContact CA-O 3.29Å; R456-Y462 WeakPolarHBondContact CA-O 3.48Å; R456-Y462 HydrophobicContact CB-CE1 4.32Å; R456-Y462 HydrophobicContact CB-CE2 4.36Å; R456-Y462 PolarHBondContact N-O 3.28Å; L457-Y462 PolarHBondContact N-O 3.07Å; F460-Y462 HydrophobicContact CB-CD1 3.67Å; F460-Y462 HydrophobicContact CB-CE1 3.51Å; F460-Y462 HydrophobicContact CD2-CE1 4.07Å; F460-Y462 HydrophobicContact CG-CE1 4.15Å; Y462-V480 HydrophobicContact CD2-CG1 4.09Å; Y462-I481 CarbonylContact C-O 3.54Å; Y462-I481 VanDerWaalsContact CA-O 3.26Å; Y462-I481 WeakPolarHBondContact CA-O 3.41Å; Y462-W486 HydrophobicContact CG-CH2 4.5Å
463	R	97.4	Very high	94.2	Very high	45 Å²	45	33 Å²	33	17%	0.17	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.7	165.6	58.3	-178.5	-177.3	-170.8	4.7	110.8	L454 L457 V480 I481 W748	L454-R463 CarbonylContact O-C 3.53Å; L454-R463 VanDerWaalsContact O-CA 3.29Å; L454-R463 WeakPolarHBondContact O-CA 3.26Å; L457-R463 HydrophobicContact CD1-CG 4.19Å; L457-R463 HydrophobicContact CD2-CB 4.46Å; L457-R463 HydrophobicContact CD2-CG 4.15Å; L457-R463 HydrophobicContact CG-CB 4.04Å; L457-R463 HydrophobicContact CG-CG 4Å; R463-V480 WeakPolarHBondContact O-CA 3.28Å; R463-V480 WeakPolarHBondContact O-CG1 3.41Å; R463-I481 PolarHBondContact N-O 2.9Å; R463-I481 PolarHBondContact O-N 3.38Å; R463-W748 HydrophobicContact CB-CH2 3.71Å; R463-W748 HydrophobicContact CB-CZ2 3.87Å; R463-W748 HydrophobicContact CB-CZ3 4.29Å; R463-W748 VanDerWaalsContact CD-CE2 3.46Å; R463-W748 HydrophobicContact CG-CD2 4.49Å; R463-W748 HydrophobicContact CG-CH2 3.98Å; R463-W748 HydrophobicContact CG-CZ2 3.68Å; R463-W748 HydrophobicContact CG-CZ3 4.47Å
464	S	98.1	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.7	-179.4	171.4	0	0	0	0	111.4	E453 L454 H478 H479 W748	E453-S464 CarbonylContact C-O 3.6Å; E453-S464 VanDerWaalsContact CA-O 3.31Å; E453-S464 WeakPolarHBondContact CA-O 3.47Å; L454-S464 PolarHBondContact N-O 3.12Å; L454-S464 PolarHBondContact O-N 2.99Å; S464-H478 PolarHBondContact OG-CD2 3.33Å; S464-H478 PolarHBondContact OG-NE2 3.24Å; S464-H479 CarbonylContact C-O 3.51Å; S464-H479 WeakPolarHBondContact CA-O 3.44Å; S464-W748 WeakPolarHBondContact O-CH2 3.36Å
465	L	98.7	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.2	170.1	177.7	65.8	0	0	0	110.2	E453 H478 H479 W727 F728 Y743 Y747 W748	E453-L465 HydrophobicContact CB-CD1 4.47Å; L465-H478 WeakPolarHBondContact O-CA 3.23Å; L465-H479 PolarHBondContact N-O 3.32Å; L465-H479 PolarHBondContact O-N 3.41Å; L465-W727 HydrophobicContact CD2-CB 3.98Å; L465-W727 HydrophobicContact CD2-CG 4.36Å; L465-F728 HydrophobicContact CD2-CE2 4.15Å; L465-F728 HydrophobicContact CD2-CZ 4.48Å; L465-F728 HydrophobicContact CG-CE2 4.23Å; L465-F728 HydrophobicContact CG-CZ 4.43Å; L465-Y743 HydrophobicContact CD2-CD2 3.89Å; L465-Y743 HydrophobicContact CD2-CE2 3.53Å; L465-Y747 HydrophobicContact CD1-CD1 3.92Å; L465-Y747 HydrophobicContact CD1-CD2 3.65Å; L465-Y747 HydrophobicContact CD1-CE1 3.77Å; L465-Y747 HydrophobicContact CD1-CE2 3.51Å; L465-Y747 HydrophobicContact CD1-CG 3.88Å; L465-Y747 HydrophobicContact CD2-CD1 3.97Å; L465-Y747 HydrophobicContact CD2-CD2 3.8Å; L465-Y747 HydrophobicContact CD2-CG 3.5Å; L465-Y747 VanDerWaalsContact CD2-CG 3.5Å; L465-Y747 HydrophobicContact CG-CD1 4.45Å; L465-Y747 HydrophobicContact CG-CD2 4.39Å; L465-Y747 HydrophobicContact CG-CG 4.31Å; L465-W748 HydrophobicContact CB-CZ2 3.98Å
466	C	98.4	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145	170.2	-67.9	0	0	0	0	110.7	L396 T451 Y452 A477 H478	L396-C466 HydrophobicContact CB-CB 3.91Å; L396-C466 HydrophobicContact CD1-CB 4.44Å; L396-C466 HydrophobicContact CD2-CB 4.19Å; L396-C466 HydrophobicContact CG-CB 4.39Å; T451-C466 CarbonylContact C-O 3.54Å; T451-C466 WeakPolarHBondContact CA-O 3.42Å; Y452-C466 PolarHBondContact N-O 3.27Å; Y452-C466 PolarHBondContact O-N 3.17Å; C466-A477 CarbonylContact C-O 3.58Å; C466-A477 WeakPolarHBondContact CA-O 3.48Å; C466-H478 PolarHBondContact SG-CD2 3.34Å; C466-H478 VanDerWaalsContact SG-CG 3.52Å
467	E	98.4	Very high	93.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.1	168.4	-175.1	179.7	169.4	0	0	110	E450 T451 V469 A476 A477 Y723 P725 L726 W727 F728	E450-E467 CarbonylContact O-C 3.57Å; E450-E467 WeakPolarHBondContact O-CA 3.4Å; T451-E467 HydrophobicContact CG2-CB 4.31Å; T451-E467 HydrophobicContact CG2-CG 4.13Å; E467-V469 HydrophobicContact CB-CG1 4.23Å; E467-V469 HydrophobicContact CG-CG1 4.3Å; E467-V469 PolarHBondContact O-N 3.01Å; E467-V469 VanDerWaalsContact O-N 3.11Å; E467-A476 CarbonylContact O-C 3.53Å; E467-A476 WeakPolarHBondContact O-CA 3.44Å; E467-A477 PolarHBondContact N-O 3.1Å; E467-A477 PolarHBondContact O-N 3.35Å; E467-Y723 PolarHBondContact OE1-OH 3.29Å; E467-P725 VanDerWaalsContact OE1-CA 3.26Å; E467-P725 WeakPolarHBondContact OE1-CA 3.44Å; E467-P725 VanDerWaalsContact OE1-CB 3.31Å; E467-P725 WeakPolarHBondContact OE1-CB 3.42Å; E467-L726 PolarHBondContact OE1-N 3.12Å; E467-L726 PolarHBondContact OE2-N 3.23Å; E467-W727 WeakPolarHBondContact OE2-CB 3.23Å; E467-W727 PolarHBondContact OE2-N 2.99Å; E467-F728 HydrophobicContact CB-CD2 3.63Å; E467-F728 HydrophobicContact CB-CE2 3.61Å; E467-F728 WeakPolarHBondContact OE2-CD2 3.43Å
468	Q	97.7	Very high	94	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.023	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	94.6	167.5	-171.8	72.6	24	0	0	109.5	L396 P446 L447 G449 E450 S470 A475	L396-Q468 HydrophobicContact CD2-CB 4.47Å; P446-Q468 HydrophobicContact CB-CB 3.89Å; P446-Q468 HydrophobicContact CB-CG 3.99Å; P446-Q468 VanDerWaalsContact CG-OE1 3.25Å; L447-Q468 WeakPolarHBondContact O-CB 3.48Å; L447-Q468 WeakPolarHBondContact O-CG 3.41Å; G449-Q468 PolarHBondContact N-O 3.18Å; E450-Q468 PolarHBondContact O-N 3.45Å; Q468-S470 PolarHBondContact NE2-O 3.44Å; Q468-A475 PolarHBondContact NE2-O 3.18Å
469	V	95.9	Very high	94.3	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-21.2	-173	-64	0	0	0	0	113.9	E467 A475 A477 P725 F728 F741	E467-V469 HydrophobicContact CB-CG1 4.23Å; E467-V469 HydrophobicContact CG-CG1 4.3Å; E467-V469 PolarHBondContact O-N 3.01Å; E467-V469 VanDerWaalsContact O-N 3.11Å; V469-A475 HydrophobicContact CG2-CB 4.05Å; V469-A475 WeakPolarHBondContact CG2-O 3.49Å; V469-A475 PolarHBondContact N-O 3.49Å; V469-A477 HydrophobicContact CG1-CB 3.55Å; V469-A477 HydrophobicContact CG2-CB 4.19Å; V469-P725 HydrophobicContact CB-CB 4.27Å; V469-P725 HydrophobicContact CB-CG 3.64Å; V469-P725 HydrophobicContact CG1-CB 3.84Å; V469-P725 HydrophobicContact CG1-CG 3.75Å; V469-F728 HydrophobicContact CG1-CB 4.14Å; V469-F728 HydrophobicContact CG1-CD2 4.43Å; V469-F728 HydrophobicContact CG1-CG 4.37Å; V469-F741 HydrophobicContact CB-CD1 4.22Å; V469-F741 HydrophobicContact CB-CD2 3.94Å; V469-F741 HydrophobicContact CB-CE1 4.33Å; V469-F741 HydrophobicContact CB-CE2 4.04Å; V469-F741 HydrophobicContact CB-CG 4.03Å; V469-F741 HydrophobicContact CB-CZ 4.23Å; V469-F741 HydrophobicContact CG1-CB 4.34Å; V469-F741 HydrophobicContact CG1-CD1 4.21Å; V469-F741 HydrophobicContact CG1-CD2 4.43Å; V469-F741 HydrophobicContact CG1-CG 4.06Å; V469-F741 HydrophobicContact CG2-CB 4.48Å; V469-F741 HydrophobicContact CG2-CD2 3.46Å; V469-F741 VanDerWaalsContact CG2-CD2 3.46Å; V469-F741 HydrophobicContact CG2-CE2 3.74Å; V469-F741 HydrophobicContact CG2-CG 3.93Å; V469-F741 HydrophobicContact CG2-CZ 4.43Å
470	S	92.1	Very high	94.6	Very high	35 Å²	35	20.9 Å²	20.9	25%	0.245	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.9	175.4	-179.1	0	0	0	0	111.3	Q468 P473 P474 A475	Q468-S470 PolarHBondContact NE2-O 3.44Å; S470-P473 CarbonylContact C-O 3.57Å; S470-P473 VanDerWaalsContact CB-O 3.31Å; S470-P473 WeakPolarHBondContact CB-O 3.3Å; S470-P473 PolarHBondContact OG-O 3.26Å; S470-P474 WeakPolarHBondContact O-CA 3.34Å; S470-A475 PolarHBondContact N-O 2.91Å; S470-A475 PolarHBondContact O-N 3.19Å
471	H	85.9	Confident	94.8	Very high	35 Å²	35	19.8 Å²	19.8	16%	0.162	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-23.5	176.8	-166.4	67.8	0	0	0	113.7	N445 L448 P473 P474 Q693	N445-H471 PolarHBondContact ND2-CE1 3.47Å; L448-H471 HydrophobicContact CB-CB 4.3Å; L448-H471 HydrophobicContact CD1-CB 4.3Å; H471-P473 CarbonylContact C-O 3.53Å; H471-P473 CarbonylContact O-C 3.59Å; H471-P474 WeakPolarHBondContact O-CD 3.35Å; H471-Q693 PolarHBondContact CD2-NE2 2.76Å; H471-Q693 VanDerWaalsContact CD2-NE2 3.33Å; H471-Q693 PolarHBondContact CE1-NE2 3.17Å; H471-Q693 PolarHBondContact ND1-NE2 2.85Å; H471-Q693 PolarHBondContact NE2-NE2 3.41Å
472	H	82.1	Confident	94.9	Very high	92 Å²	92	19.5 Å²	19.5	43%	0.426	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139	91.6	179	-65.4	-43.4	0	0	0	111.3	R697	H472-R697 PolarHBondContact NE2-NH1 3.03Å
473	P	84.3	Confident	94.9	Very high	85 Å²	85	26.5 Å²	26.5	55%	0.552	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	cis	-71.5	154.3	-2.6	31.2	-35.4	0	0	0	112.4	S470 H471 A475 T493	S470-P473 CarbonylContact C-O 3.57Å; S470-P473 VanDerWaalsContact CB-O 3.31Å; S470-P473 WeakPolarHBondContact CB-O 3.3Å; S470-P473 PolarHBondContact OG-O 3.26Å; H471-P473 CarbonylContact C-O 3.53Å; H471-P473 CarbonylContact O-C 3.59Å; P473-A475 PolarHBondContact O-N 3.45Å; P473-T493 HydrophobicContact CB-CG2 4.04Å; P473-T493 HydrophobicContact CG-CG2 4.45Å
474	P	88.3	Confident	94.9	Very high	20 Å²	20	29.5 Å²	29.5	13%	0.13	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.4	179.3	27.9	-33.1	0	0	0	110.6	S470 H471 T493	S470-P474 WeakPolarHBondContact O-CA 3.34Å; H471-P474 WeakPolarHBondContact O-CD 3.35Å; P474-T493 WeakPolarHBondContact O-CA 3.35Å
475	A	93.7	Very high	94.8	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.3	178.1	0	0	0	0	0	110.8	Q468 V469 S470 P473 I492 T493	Q468-A475 PolarHBondContact NE2-O 3.18Å; V469-A475 HydrophobicContact CG2-CB 4.05Å; V469-A475 WeakPolarHBondContact CG2-O 3.49Å; V469-A475 PolarHBondContact N-O 3.49Å; S470-A475 PolarHBondContact N-O 2.91Å; S470-A475 PolarHBondContact O-N 3.19Å; P473-A475 PolarHBondContact O-N 3.45Å; A475-I492 WeakPolarHBondContact CA-O 3.22Å; A475-T493 WeakPolarHBondContact CB-OG1 3.34Å
476	A	96.8	Very high	94.8	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.3	174.5	0	0	0	0	0	109.9	L396 L399 E467 E491 I492	L396-A476 HydrophobicContact CD2-CB 3.59Å; L399-A476 HydrophobicContact CD2-CB 4.28Å; E467-A476 CarbonylContact O-C 3.53Å; E467-A476 WeakPolarHBondContact O-CA 3.44Å; A476-E491 WeakPolarHBondContact O-CA 3.34Å; A476-I492 HydrophobicContact CB-CG2 4.17Å; A476-I492 PolarHBondContact N-O 3.03Å; A476-I492 PolarHBondContact O-N 3.2Å
477	A	97.6	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140	170.9	0	0	0	0	0	109.3	C466 E467 V469 F728 F741	C466-A477 CarbonylContact C-O 3.58Å; C466-A477 WeakPolarHBondContact CA-O 3.48Å; E467-A477 PolarHBondContact N-O 3.1Å; E467-A477 PolarHBondContact O-N 3.35Å; V469-A477 HydrophobicContact CG1-CB 3.55Å; V469-A477 HydrophobicContact CG2-CB 4.19Å; A477-F728 HydrophobicContact CB-CB 4.42Å; A477-F728 HydrophobicContact CB-CD1 3.45Å; A477-F728 VanDerWaalsContact CB-CD1 3.45Å; A477-F728 HydrophobicContact CB-CD2 4.13Å; A477-F728 HydrophobicContact CB-CE1 3.6Å; A477-F728 HydrophobicContact CB-CE2 4.28Å; A477-F728 HydrophobicContact CB-CG 3.74Å; A477-F728 HydrophobicContact CB-CZ 4.03Å; A477-F741 HydrophobicContact CB-CB 3.7Å
478	H	98.3	Very high	94.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.4	-177.4	175.3	-162.2	0	0	0	109.4	L399 S464 L465 C466 V480 R489 Q490	L399-H478 HydrophobicContact CD2-CB 3.65Å; L399-H478 HydrophobicContact CG-CB 4.31Å; S464-H478 PolarHBondContact OG-CD2 3.33Å; S464-H478 PolarHBondContact OG-NE2 3.24Å; L465-H478 WeakPolarHBondContact O-CA 3.23Å; C466-H478 PolarHBondContact SG-CD2 3.34Å; C466-H478 VanDerWaalsContact SG-CG 3.52Å; H478-V480 WeakPolarHBondContact NE2-CG2 3.38Å; H478-R489 VanDerWaalsContact O-CA 3.29Å; H478-R489 WeakPolarHBondContact O-CA 3.35Å; H478-Q490 HydrophobicContact CB-CG 3.77Å; H478-Q490 PolarHBondContact N-O 3.39Å; H478-Q490 PolarHBondContact ND1-NE2 3Å; H478-Q490 VanDerWaalsContact ND1-NE2 3.14Å; H478-Q490 PolarHBondContact O-N 2.72Å
479	H	98.5	Very high	94.7	Very high	24 Å²	24	34.1 Å²	34.1	11%	0.111	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.1	179.7	-173.3	62.8	0	0	0	111.2	S464 L465 I481 T487 F728 Y743	S464-H479 CarbonylContact C-O 3.51Å; S464-H479 WeakPolarHBondContact CA-O 3.44Å; L465-H479 PolarHBondContact N-O 3.32Å; L465-H479 PolarHBondContact O-N 3.41Å; H479-I481 WeakPolarHBondContact NE2-CG1 3.19Å; H479-T487 VanDerWaalsContact CE1-CG2 3.47Å; H479-T487 WeakPolarHBondContact CE1-CG2 3.28Å; H479-F728 HydrophobicContact CB-CE1 3.92Å; H479-F728 HydrophobicContact CB-CZ 4.12Å; H479-Y743 HydrophobicContact CB-CG 4.43Å; H479-Y743 VanDerWaalsContact CD2-CB 3.48Å; H479-Y743 WeakPolarHBondContact CD2-CB 3.34Å; H479-Y743 AromaticContact CD2-CD1 3.43Å; H479-Y743 VanDerWaalsContact CD2-CD1 3.43Å; H479-Y743 WeakPolarHBondContact CD2-CD1 3.23Å; H479-Y743 AromaticContact CD2-CG 3.61Å; H479-Y743 AromaticContact NE2-CD1 3.79Å
480	V	98.6	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.6	-177.1	-165.9	0	0	0	0	109.4	L403 Y462 R463 H478 W486 T487 L488	L403-V480 HydrophobicContact CD1-CG1 3.96Å; L403-V480 HydrophobicContact CD1-CG2 3.92Å; L403-V480 HydrophobicContact CD2-CG1 4.15Å; L403-V480 HydrophobicContact CD2-CG2 4.22Å; Y462-V480 HydrophobicContact CD2-CG1 4.09Å; R463-V480 WeakPolarHBondContact O-CA 3.28Å; R463-V480 WeakPolarHBondContact O-CG1 3.41Å; H478-V480 WeakPolarHBondContact NE2-CG2 3.38Å; V480-W486 HydrophobicContact CB-CZ3 4.01Å; V480-W486 HydrophobicContact CG1-CH2 3.69Å; V480-W486 HydrophobicContact CG1-CZ3 3.57Å; V480-T487 WeakPolarHBondContact O-CA 3.42Å; V480-T487 WeakPolarHBondContact O-CG2 3.06Å; V480-L488 HydrophobicContact CB-CB 4.11Å; V480-L488 HydrophobicContact CG2-CB 4.23Å; V480-L488 HydrophobicContact CG2-CD2 4.04Å; V480-L488 PolarHBondContact N-O 3.17Å; V480-L488 PolarHBondContact O-N 3.11Å; V480-L488 VanDerWaalsContact O-N 3.08Å
481	I	97.6	Very high	94.8	Very high	50 Å²	50	34 Å²	34	26%	0.256	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.7	177.3	-56.5	170.9	0	0	0	107.8	Y462 R463 H479	Y462-I481 CarbonylContact C-O 3.54Å; Y462-I481 VanDerWaalsContact CA-O 3.26Å; Y462-I481 WeakPolarHBondContact CA-O 3.41Å; R463-I481 PolarHBondContact N-O 2.9Å; R463-I481 PolarHBondContact O-N 3.38Å; H479-I481 WeakPolarHBondContact NE2-CG1 3.19Å
482	S	97.9	Very high	95.1	Very high	3 Å²	3	33 Å²	33	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.9	174.4	-179.9	0	0	0	0	111.5	G461 R484 G485 W486	G461-S482 CarbonylContact O-C 3.57Å; G461-S482 WeakPolarHBondContact O-CA 3.4Å; G461-S482 PolarHBondContact O-OG 3.12Å; S482-R484 PolarHBondContact O-N 3.16Å; S482-R484 WeakPolarHBondContact OG-CB 3.17Å; S482-R484 PolarHBondContact OG-N 3.08Å; S482-G485 PolarHBondContact O-N 2.97Å; S482-W486 WeakPolarHBondContact CB-O 3.3Å; S482-W486 PolarHBondContact N-O 3.04Å; S482-W486 VanDerWaalsContact N-O 3.07Å; S482-W486 PolarHBondContact OG-NE1 3.38Å
483	Q	97.1	Very high	95.7	Very high	149 Å²	149	29.8 Å²	29.8	70%	0.696	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.5	168.9	-65.4	-177.7	-5.2	0	0	112.2	L457 G461 G485	L457-Q483 HydrophobicContact CD2-CG 3.96Å; G461-Q483 PolarHBondContact O-N 3.19Å; Q483-G485 VanDerWaalsContact C-N 3.25Å; Q483-G485 PolarHBondContact O-N 3.07Å
484	R	96.3	Very high	95.9	Very high	108 Å²	108	28 Å²	28	41%	0.408	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	13.9	176.6	-58.7	176.9	176.7	-168.9	2.8	113.2	D410 A413 F460 S482	D410-R484 WeakPolarHBondContact OD1-CB 3.44Å; D410-R484 WeakPolarHBondContact OD1-CD 3.42Å; D410-R484 VanDerWaalsContact OD2-CD 3.24Å; D410-R484 WeakPolarHBondContact OD2-CD 3.28Å; D410-R484 IonicContact OD2-CZ 2.78Å; D410-R484 IonicContact OD2-NE 3.88Å; D410-R484 IonicContact OD2-NH1 3.57Å; D410-R484 PolarHBondContact OD2-NH1 3.31Å; A413-R484 WeakPolarHBondContact CB-O 3.16Å; F460-R484 VanDerWaalsContact O-CZ 3.25Å; F460-R484 PolarHBondContact O-NE 2.89Å; F460-R484 VanDerWaalsContact O-NE 3.13Å; F460-R484 PolarHBondContact O-NH2 3.35Å; S482-R484 PolarHBondContact O-N 3.16Å; S482-R484 WeakPolarHBondContact OG-CB 3.17Å; S482-R484 PolarHBondContact OG-N 3.08Å
485	G	96.7	Very high	95.9	Very high	19 Å²	19	28.5 Å²	28.5	20%	0.196	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	27	165.7	0	0	0	0	0	115.6	S482 Q483 H516	S482-G485 PolarHBondContact O-N 2.97Å; Q483-G485 VanDerWaalsContact C-N 3.25Å; Q483-G485 PolarHBondContact O-N 3.07Å; G485-H516 PolarHBondContact O-N 3.36Å
486	W	98.4	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.4	174.1	58.9	-95.3	0	0	0	112.7	L403 H406 L409 D410 Y462 V480 S482 L488 L513 H514 F515	L403-W486 HydrophobicContact CD2-CH2 4.06Å; L403-W486 HydrophobicContact CD2-CZ3 4.46Å; H406-W486 HydrophobicContact CB-CH2 4.46Å; H406-W486 HydrophobicContact CB-CZ2 4.19Å; L409-W486 HydrophobicContact CB-CD2 3.94Å; L409-W486 HydrophobicContact CB-CG 4.12Å; L409-W486 HydrophobicContact CB-CZ2 4.23Å; L409-W486 HydrophobicContact CD1-CD2 4.02Å; L409-W486 HydrophobicContact CD1-CE3 3.81Å; L409-W486 HydrophobicContact CD1-CH2 4.02Å; L409-W486 HydrophobicContact CD1-CZ2 4.2Å; L409-W486 HydrophobicContact CD1-CZ3 3.81Å; D410-W486 PolarHBondContact OD1-NE1 3.02Å; Y462-W486 HydrophobicContact CG-CH2 4.5Å; V480-W486 HydrophobicContact CB-CZ3 4.01Å; V480-W486 HydrophobicContact CG1-CH2 3.69Å; V480-W486 HydrophobicContact CG1-CZ3 3.57Å; S482-W486 WeakPolarHBondContact CB-O 3.3Å; S482-W486 PolarHBondContact N-O 3.04Å; S482-W486 VanDerWaalsContact N-O 3.07Å; S482-W486 PolarHBondContact OG-NE1 3.38Å; W486-L488 HydrophobicContact CE3-CB 4.34Å; W486-L488 HydrophobicContact CZ3-CB 4.11Å; W486-L513 HydrophobicContact CB-CD1 4.35Å; W486-L513 HydrophobicContact CE3-CD1 4.23Å; W486-H514 CarbonylContact C-O 3.56Å; W486-H514 VanDerWaalsContact CA-O 3.28Å; W486-H514 WeakPolarHBondContact CA-O 3.42Å; W486-F515 HydrophobicContact CB-CD1 3.75Å; W486-F515 HydrophobicContact CB-CE1 3.86Å; W486-F515 HydrophobicContact CG-CE1 4.45Å
487	T	98.4	Very high	94.8	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.184	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.1	175	-62.2	0	0	0	0	109	H479 V480 L513 H514 H516	H479-T487 VanDerWaalsContact CE1-CG2 3.47Å; H479-T487 WeakPolarHBondContact CE1-CG2 3.28Å; V480-T487 WeakPolarHBondContact O-CA 3.42Å; V480-T487 WeakPolarHBondContact O-CG2 3.06Å; T487-L513 WeakPolarHBondContact O-CA 3.47Å; T487-H514 PolarHBondContact N-O 2.95Å; T487-H514 PolarHBondContact O-N 3.49Å; T487-H516 PolarHBondContact OG1-NE2 2.91Å
488	L	98.4	Very high	94	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.4	174.6	-175.4	149	0	0	0	109.1	L409 F428 V480 W486 Q490 I511 H512 L513	L409-L488 HydrophobicContact CD1-CD1 4.41Å; F428-L488 HydrophobicContact CE1-CD1 3.78Å; F428-L488 HydrophobicContact CZ-CD1 4.03Å; V480-L488 HydrophobicContact CB-CB 4.11Å; V480-L488 HydrophobicContact CG2-CB 4.23Å; V480-L488 HydrophobicContact CG2-CD2 4.04Å; V480-L488 PolarHBondContact N-O 3.17Å; V480-L488 PolarHBondContact O-N 3.11Å; V480-L488 VanDerWaalsContact O-N 3.08Å; W486-L488 HydrophobicContact CE3-CB 4.34Å; W486-L488 HydrophobicContact CZ3-CB 4.11Å; L488-Q490 HydrophobicContact CD2-CG 4.37Å; L488-I511 HydrophobicContact CD1-CG2 4.17Å; L488-I511 HydrophobicContact CD2-CG2 4.43Å; L488-I511 HydrophobicContact CG-CG2 4.17Å; L488-H512 CarbonylContact C-O 3.44Å; L488-H512 WeakPolarHBondContact CA-O 3.41Å; L488-L513 HydrophobicContact CB-CD1 4.2Å
489	R	96.3	Very high	93.1	Very high	53 Å²	53	41.5 Å²	41.5	20%	0.2	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.1	170.2	65.4	-178.3	179.5	143.1	10.6	110	H478 H512 D733	H478-R489 VanDerWaalsContact O-CA 3.29Å; H478-R489 WeakPolarHBondContact O-CA 3.35Å; R489-H512 HydrophobicContact CG-CB 3.7Å; R489-H512 PolarHBondContact N-O 3.11Å; R489-H512 PolarHBondContact O-N 2.94Å; R489-D733 IonicContact CZ-OD2 3.56Å; R489-D733 IonicContact NH1-OD2 3.77Å; R489-D733 IonicContact NH2-OD2 2.71Å; R489-D733 PolarHBondContact NH2-OD2 3.37Å
490	Q	95.3	Very high	92	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.7	174.3	60.8	179	-49.9	0	0	110	D402 H478 L488 I511	D402-Q490 PolarHBondContact OD2-NE2 3.34Å; H478-Q490 HydrophobicContact CB-CG 3.77Å; H478-Q490 PolarHBondContact N-O 3.39Å; H478-Q490 PolarHBondContact ND1-NE2 3Å; H478-Q490 VanDerWaalsContact ND1-NE2 3.14Å; H478-Q490 PolarHBondContact O-N 2.72Å; L488-Q490 HydrophobicContact CD2-CG 4.37Å; Q490-I511 HydrophobicContact CB-CB 4.33Å; Q490-I511 HydrophobicContact CB-CG1 3.9Å; Q490-I511 HydrophobicContact CB-CG2 4.38Å
491	E	93.6	Very high	91.1	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.4	160.5	177.3	-178.2	160.6	0	0	106.8	A476 G509 N740 F741	A476-E491 WeakPolarHBondContact O-CA 3.34Å; E491-G509 WeakPolarHBondContact O-CA 3.49Å; E491-N740 WeakPolarHBondContact OE2-CA 3.44Å; E491-F741 VanDerWaalsContact OE2-CD2 3.31Å; E491-F741 WeakPolarHBondContact OE2-CD2 3.37Å; E491-F741 PolarHBondContact OE2-N 3.28Å
492	I	93.6	Very high	90.5	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.6	-178.7	-165.6	167.1	0	0	0	110.9	L399 A475 A476 I494 P507 L508	L399-I492 HydrophobicContact CD1-CD1 4.19Å; L399-I492 HydrophobicContact CD1-CG2 3.92Å; L399-I492 HydrophobicContact CD2-CG2 3.63Å; L399-I492 HydrophobicContact CG-CG2 4.39Å; A475-I492 WeakPolarHBondContact CA-O 3.22Å; A476-I492 HydrophobicContact CB-CG2 4.17Å; A476-I492 PolarHBondContact N-O 3.03Å; A476-I492 PolarHBondContact O-N 3.2Å; I492-I494 HydrophobicContact CD1-CD1 3.85Å; I492-I494 HydrophobicContact CG1-CD1 3.85Å; I492-P507 HydrophobicContact CD1-CB 3.76Å; I492-P507 HydrophobicContact CG1-CB 4.16Å; I492-L508 CarbonylContact C-O 3.57Å; I492-L508 WeakPolarHBondContact CA-O 3.37Å
493	T	93.2	Very high	89.9	Confident	26 Å²	26	50.6 Å²	50.6	16%	0.16	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129	169.1	-68.1	0	0	0	0	108.4	P473 P474 A475 L508	P473-T493 HydrophobicContact CB-CG2 4.04Å; P473-T493 HydrophobicContact CG-CG2 4.45Å; P474-T493 WeakPolarHBondContact O-CA 3.35Å; A475-T493 WeakPolarHBondContact CB-OG1 3.34Å; T493-L508 PolarHBondContact N-O 3.44Å; T493-L508 WeakPolarHBondContact O-CB 2.94Å; T493-L508 PolarHBondContact O-N 3.16Å
494	I	89.3	Confident	89.6	Confident	47 Å²	47	44 Å²	44	24%	0.241	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.9	179.6	-56.7	-58.9	0	0	0	109.9	M395 I492 I505 P507	M395-I494 HydrophobicContact CE-CD1 4.28Å; M395-I494 HydrophobicContact CE-CG1 4.26Å; I492-I494 HydrophobicContact CD1-CD1 3.85Å; I492-I494 HydrophobicContact CG1-CD1 3.85Å; I494-I505 HydrophobicContact CG2-CG2 3.65Å; I494-P507 HydrophobicContact CD1-CB 3.96Å
495	A	88	Confident	89.4	Confident	30 Å²	30	41.3 Å²	41.3	25%	0.248	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.4	167.7	0	0	0	0	0	110.3	M506 L508	A495-M506 HydrophobicContact CB-CB 4.29Å; A495-M506 HydrophobicContact CB-CE 4Å; A495-M506 PolarHBondContact N-O 3.36Å; A495-M506 PolarHBondContact O-N 3.04Å; A495-L508 HydrophobicContact CB-CD1 4.03Å; A495-L508 HydrophobicContact CB-CG 4.43Å
496	S	85.6	Confident	89.2	Confident	25 Å²	25	43.2 Å²	43.2	18%	0.175	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134	-177.5	63	0	0	0	0	111	S504	S496-S504 CarbonylContact C-O 3.56Å; S496-S504 VanDerWaalsContact CA-O 3.3Å; S496-S504 WeakPolarHBondContact CA-O 3.43Å
497	K	82.7	Confident	89	Confident	109 Å²	109	44 Å²	44	47%	0.474	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.9	179.5	-173.3	173	-179	175.4	0	111	R499 S504 M506	K497-R499 HydrophobicContact CD-CG 4.47Å; K497-R499 HydrophobicContact CG-CG 4.19Å; K497-S504 PolarHBondContact N-O 3.19Å; K497-S504 PolarHBondContact O-N 2.92Å; K497-M506 HydrophobicContact CB-CE 4.33Å
498	F	80.8	Confident	88.7	Confident	16 Å²	16	47 Å²	47	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.2	172	-175.2	-132.9	0	0	0	110.9	W369 M372 I376 L380 G500 Y502 I534 I535	W369-F498 HydrophobicContact CZ3-CE1 4.19Å; W369-F498 HydrophobicContact CZ3-CZ 4.01Å; M372-F498 HydrophobicContact CE-CB 4.06Å; M372-F498 HydrophobicContact CE-CD1 4.18Å; M372-F498 HydrophobicContact CE-CD2 3.17Å; M372-F498 HydrophobicContact CE-CE1 4.42Å; M372-F498 HydrophobicContact CE-CE2 3.49Å; M372-F498 VanDerWaalsContact CE-CE2 3.49Å; M372-F498 HydrophobicContact CE-CG 3.56Å; M372-F498 HydrophobicContact CE-CZ 4.1Å; I376-F498 HydrophobicContact CG1-CD1 3.97Å; I376-F498 HydrophobicContact CG1-CE1 3.7Å; L380-F498 HydrophobicContact CD1-CB 4.23Å; F498-G500 WeakPolarHBondContact CE2-O 3.49Å; F498-G500 WeakPolarHBondContact CZ-O 3.49Å; F498-Y502 WeakPolarHBondContact CD2-O 3.32Å; F498-I534 HydrophobicContact CD2-CG2 4.37Å; F498-I534 HydrophobicContact CE2-CB 3.91Å; F498-I534 HydrophobicContact CE2-CG1 4.28Å; F498-I534 HydrophobicContact CE2-CG2 3.52Å; F498-I534 HydrophobicContact CZ-CG2 4.04Å; F498-I535 HydrophobicContact CZ-CG1 4.37Å
499	R	78.6	Confident	88.4	Confident	132 Å²	132	48.2 Å²	48.2	50%	0.498	25%	0.245	S	C	.	.			trans	-125.2	45.9	179.9	-58.4	-161.7	-168.9	-175.1	-1.2	111.9	K497 K501 Y502	K497-R499 HydrophobicContact CD-CG 4.47Å; K497-R499 HydrophobicContact CG-CG 4.19Å; R499-K501 PolarHBondContact O-N 2.91Å; R499-Y502 HydrophobicContact CB-CD2 4.08Å; R499-Y502 HydrophobicContact CB-CE1 4.19Å; R499-Y502 HydrophobicContact CB-CE2 3.58Å; R499-Y502 WeakPolarHBondContact CD-OH 3.17Å; R499-Y502 HydrophobicContact CG-CE2 3.9Å; R499-Y502 PolarHBondContact N-O 3.41Å
500	G	75.3	Confident	88.3	Confident	31 Å²	31	45.7 Å²	45.7	32%	0.32	24%	0.235	S	C	.	.	S	Bend	trans	77	-87.6	179.1	0	0	0	0	0	112.4	F498 Y502 I535	F498-G500 WeakPolarHBondContact CE2-O 3.49Å; F498-G500 WeakPolarHBondContact CZ-O 3.49Å; G500-Y502 VanDerWaalsContact C-N 3.34Å; G500-Y502 PolarHBondContact O-N 3.46Å; G500-I535 WeakPolarHBondContact O-CD1 3.32Å; G500-I535 VanDerWaalsContact O-CG1 3.25Å; G500-I535 WeakPolarHBondContact O-CG1 3.1Å
501	K	79.4	Confident	88.3	Confident	137 Å²	137	45.6 Å²	45.6	60%	0.596	24%	0.235	S	C	*	.	S	Bend	trans	-75.5	-23.2	-176.2	-173.2	174.3	178.7	179.9	0	113.6	R499 N533 I534	R499-K501 PolarHBondContact O-N 2.91Å; K501-N533 WeakPolarHBondContact CE-OD1 3.21Å; K501-N533 PolarHBondContact O-N 2.92Å; K501-I534 PolarHBondContact O-N 2.9Å; K501-I534 VanDerWaalsContact O-N 3.1Å
502	Y	85.1	Confident	88.5	Confident	77 Å²	77	44.4 Å²	44.4	30%	0.302	23%	0.229	S	C	.	.			trans	-137.1	155.7	-172.1	56.1	-87.2	0	0	0	113.2	F498 R499 G500 T530 V531	F498-Y502 WeakPolarHBondContact CD2-O 3.32Å; R499-Y502 HydrophobicContact CB-CD2 4.08Å; R499-Y502 HydrophobicContact CB-CE1 4.19Å; R499-Y502 HydrophobicContact CB-CE2 3.58Å; R499-Y502 WeakPolarHBondContact CD-OH 3.17Å; R499-Y502 HydrophobicContact CG-CE2 3.9Å; R499-Y502 PolarHBondContact N-O 3.41Å; G500-Y502 VanDerWaalsContact C-N 3.34Å; G500-Y502 PolarHBondContact O-N 3.46Å; Y502-T530 HydrophobicContact CD2-CG2 3.85Å; Y502-T530 HydrophobicContact CG-CG2 4.11Å; Y502-V531 CarbonylContact C-O 3.57Å; Y502-V531 VanDerWaalsContact CA-O 3.26Å; Y502-V531 WeakPolarHBondContact CA-O 3.08Å; Y502-V531 WeakPolarHBondContact CB-O 3.34Å
503	L	86.6	Confident	88.8	Confident	23 Å²	23	43.8 Å²	43.8	12%	0.12	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.5	174.9	168.6	55.4	0	0	0	109.2	M372 L380 I505 T530 V531 I534	M372-L503 HydrophobicContact CE-CB 4.41Å; M372-L503 HydrophobicContact CE-CD2 4.4Å; L380-L503 HydrophobicContact CD1-CD1 3.12Å; L380-L503 HydrophobicContact CD1-CD2 3.89Å; L380-L503 HydrophobicContact CD1-CG 4.12Å; L503-I505 HydrophobicContact CG-CG1 4.25Å; L503-T530 WeakPolarHBondContact O-CA 3.4Å; L503-V531 HydrophobicContact CB-CB 4.26Å; L503-V531 PolarHBondContact N-O 3.41Å; L503-V531 PolarHBondContact O-N 2.99Å; L503-I534 HydrophobicContact CB-CD1 3.8Å; L503-I534 HydrophobicContact CB-CG1 3.94Å
504	S	90.4	Very high	89	Confident	10 Å²	10	46.2 Å²	46.2	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.3	173.1	-56.2	0	0	0	0	110.5	S496 K497	S496-S504 CarbonylContact C-O 3.56Å; S496-S504 VanDerWaalsContact CA-O 3.3Å; S496-S504 WeakPolarHBondContact CA-O 3.43Å; K497-S504 PolarHBondContact N-O 3.19Å; K497-S504 PolarHBondContact O-N 2.92Å
505	I	91.6	Very high	89.4	Confident	51 Å²	51	44 Å²	44	26%	0.262	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.4	176.8	-57	170.7	0	0	0	107	I494 L503 P507 T528 S529 V531	I494-I505 HydrophobicContact CG2-CG2 3.65Å; L503-I505 HydrophobicContact CG-CG1 4.25Å; I505-P507 WeakPolarHBondContact O-CD 3.4Å; I505-T528 WeakPolarHBondContact O-CA 3.23Å; I505-S529 PolarHBondContact N-O 3.44Å; I505-S529 PolarHBondContact O-N 2.73Å; I505-V531 HydrophobicContact CD1-CG2 3.89Å
506	M	92.9	Very high	89.9	Confident	59 Å²	59	46.9 Å²	46.9	29%	0.291	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	100.7	-173.3	-63.8	172	-61.7	0	0	108.7	A495 K497 L508 T528	A495-M506 HydrophobicContact CB-CB 4.29Å; A495-M506 HydrophobicContact CB-CE 4Å; A495-M506 PolarHBondContact N-O 3.36Å; A495-M506 PolarHBondContact O-N 3.04Å; K497-M506 HydrophobicContact CB-CE 4.33Å; M506-L508 PolarHBondContact O-N 2.86Å; M506-T528 HydrophobicContact CG-CG2 3.98Å
507	P	93.7	Very high	90.4	Very high	18 Å²	18	50.2 Å²	50.2	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.3	170.1	29.1	-33.1	0	0	0	110.1	I492 I494 I505 K526 V527	I492-P507 HydrophobicContact CD1-CB 3.76Å; I492-P507 HydrophobicContact CG1-CB 4.16Å; I494-P507 HydrophobicContact CD1-CB 3.96Å; I505-P507 WeakPolarHBondContact O-CD 3.4Å; P507-K526 HydrophobicContact CB-CB 4Å; P507-K526 HydrophobicContact CB-CD 4.49Å; P507-K526 HydrophobicContact CG-CB 3.42Å; P507-K526 VanDerWaalsContact CG-CB 3.42Å; P507-K526 HydrophobicContact CG-CD 4.45Å; P507-V527 VanDerWaalsContact CD-O 3.25Å; P507-V527 WeakPolarHBondContact CD-O 3.22Å; P507-V527 VanDerWaalsContact CG-O 3.22Å; P507-V527 WeakPolarHBondContact CG-O 3.1Å
508	L	92.4	Very high	91	Very high	91 Å²	91	47.5 Å²	47.5	48%	0.476	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.7	178.5	-53.4	178.4	0	0	0	109.4	I492 T493 A495 M506	I492-L508 CarbonylContact C-O 3.57Å; I492-L508 WeakPolarHBondContact CA-O 3.37Å; T493-L508 PolarHBondContact N-O 3.44Å; T493-L508 WeakPolarHBondContact O-CB 2.94Å; T493-L508 PolarHBondContact O-N 3.16Å; A495-L508 HydrophobicContact CB-CD1 4.03Å; A495-L508 HydrophobicContact CB-CG 4.43Å; M506-L508 PolarHBondContact O-N 2.86Å
509	G	92	Very high	91.8	Very high	28 Å²	28	48.2 Å²	48.2	29%	0.289	27%	0.268	S	S	.	.	S	Bend	trans	119.7	153.6	180	0	0	0	0	0	112.7	E491	E491-G509 WeakPolarHBondContact O-CA 3.49Å
510	A	93.9	Very high	92.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.8	-178.2	0	0	0	0	0	111.7	V523 W524 R525 T736	A510-V523 HydrophobicContact CB-CG1 4.03Å; A510-W524 WeakPolarHBondContact CA-O 3.36Å; A510-R525 HydrophobicContact CB-CG 4.39Å; A510-T736 HydrophobicContact CB-CG2 4.43Å
511	I	96.8	Very high	93.8	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.4	170.5	-57.6	164.1	0	0	0	107.6	L488 Q490 V523 W524 K526	L488-I511 HydrophobicContact CD1-CG2 4.17Å; L488-I511 HydrophobicContact CD2-CG2 4.43Å; L488-I511 HydrophobicContact CG-CG2 4.17Å; Q490-I511 HydrophobicContact CB-CB 4.33Å; Q490-I511 HydrophobicContact CB-CG1 3.9Å; Q490-I511 HydrophobicContact CB-CG2 4.38Å; I511-V523 VanDerWaalsContact O-CA 3.29Å; I511-V523 WeakPolarHBondContact O-CA 3.27Å; I511-W524 HydrophobicContact CB-CD2 4.04Å; I511-W524 HydrophobicContact CB-CE3 4.36Å; I511-W524 HydrophobicContact CB-CH2 4.3Å; I511-W524 HydrophobicContact CB-CZ2 3.97Å; I511-W524 HydrophobicContact CB-CZ3 4.48Å; I511-W524 HydrophobicContact CD1-CZ2 4.12Å; I511-W524 HydrophobicContact CG2-CD2 4.34Å; I511-W524 HydrophobicContact CG2-CE3 4.38Å; I511-W524 HydrophobicContact CG2-CH2 3.52Å; I511-W524 HydrophobicContact CG2-CZ2 3.45Å; I511-W524 VanDerWaalsContact CG2-CZ2 3.45Å; I511-W524 HydrophobicContact CG2-CZ3 4.01Å; I511-W524 PolarHBondContact N-O 3.45Å; I511-W524 PolarHBondContact O-N 3.1Å; I511-K526 HydrophobicContact CD1-CD 4.44Å; I511-K526 HydrophobicContact CD1-CG 3.9Å
512	H	97.3	Very high	94.7	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.2	176.2	-64.2	-105.9	0	0	0	109.4	L488 R489 H521 Y522 V523 D733	L488-H512 CarbonylContact C-O 3.44Å; L488-H512 WeakPolarHBondContact CA-O 3.41Å; R489-H512 HydrophobicContact CG-CB 3.7Å; R489-H512 PolarHBondContact N-O 3.11Å; R489-H512 PolarHBondContact O-N 2.94Å; H512-H521 WeakPolarHBondContact CB-NE2 3.44Å; H512-H521 AromaticContact CG-NE2 3.68Å; H512-H521 AromaticContact ND1-CE1 3.42Å; H512-H521 PolarHBondContact ND1-CE1 3.02Å; H512-H521 AromaticContact ND1-NE2 3.15Å; H512-H521 PolarHBondContact ND1-NE2 3.48Å; H512-H521 VanDerWaalsContact ND1-NE2 3.15Å; H512-Y522 WeakPolarHBondContact CA-O 3.49Å; H512-V523 WeakPolarHBondContact ND1-CG2 3.49Å; H512-D733 IonicContact CE1-OD1 3.01Å; H512-D733 IonicContact CE1-OD2 3.23Å; H512-D733 PolarHBondContact CE1-OD2 3.49Å
513	L	98.4	Very high	95.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.4	175.8	176.6	67.6	0	0	0	109.6	L409 V425 W486 T487 L488 F515 H521 Y522 W524	L409-L513 HydrophobicContact CD1-CD1 4Å; L409-L513 HydrophobicContact CD2-CD1 4.34Å; L409-L513 HydrophobicContact CD2-CD2 3.63Å; V425-L513 HydrophobicContact CG1-CD2 4.04Å; V425-L513 HydrophobicContact CG2-CD2 3.73Å; W486-L513 HydrophobicContact CB-CD1 4.35Å; W486-L513 HydrophobicContact CE3-CD1 4.23Å; T487-L513 WeakPolarHBondContact O-CA 3.47Å; L488-L513 HydrophobicContact CB-CD1 4.2Å; L513-F515 HydrophobicContact CD2-CE2 3.64Å; L513-F515 HydrophobicContact CD2-CZ 3.7Å; L513-F515 HydrophobicContact CG-CE2 3.95Å; L513-F515 HydrophobicContact CG-CZ 4.15Å; L513-H521 WeakPolarHBondContact O-CA 2.97Å; L513-H521 PolarHBondContact O-CD2 2.67Å; L513-Y522 PolarHBondContact N-O 2.95Å; L513-Y522 PolarHBondContact O-N 3.23Å; L513-W524 HydrophobicContact CB-CH2 3.89Å; L513-W524 HydrophobicContact CB-CZ3 3.64Å; L513-W524 HydrophobicContact CD2-CH2 4.15Å; L513-W524 HydrophobicContact CD2-CZ3 4.26Å
514	H	98.1	Very high	95.8	Very high	76 Å²	76	31.6 Å²	31.6	35%	0.352	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.4	-179.6	179.8	-102.5	0	0	0	110.3	W486 T487 H516 N520	W486-H514 CarbonylContact C-O 3.56Å; W486-H514 VanDerWaalsContact CA-O 3.28Å; W486-H514 WeakPolarHBondContact CA-O 3.42Å; T487-H514 PolarHBondContact N-O 2.95Å; T487-H514 PolarHBondContact O-N 3.49Å; H514-H516 AromaticContact ND1-CD2 3.56Å; H514-N520 WeakPolarHBondContact CA-O 3.36Å
515	F	98.4	Very high	96.1	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126	173.4	-69.5	-76.9	0	0	0	110.3	L409 A412 A413 Q421 V425 W486 L513 S518 G519 N520 Y522	L409-F515 HydrophobicContact CD2-CZ 4.47Å; L409-F515 WeakPolarHBondContact O-CE1 3.43Å; A412-F515 HydrophobicContact CB-CE1 3.81Å; A412-F515 HydrophobicContact CB-CE2 4.43Å; A412-F515 HydrophobicContact CB-CZ 3.5Å; A412-F515 VanDerWaalsContact CB-CZ 3.5Å; A413-F515 HydrophobicContact CB-CD1 3.71Å; A413-F515 HydrophobicContact CB-CE1 3.91Å; Q421-F515 HydrophobicContact CG-CD2 4.2Å; Q421-F515 HydrophobicContact CG-CE2 3.9Å; Q421-F515 HydrophobicContact CG-CZ 4.32Å; V425-F515 HydrophobicContact CG2-CE2 3.78Å; V425-F515 HydrophobicContact CG2-CZ 4.04Å; W486-F515 HydrophobicContact CB-CD1 3.75Å; W486-F515 HydrophobicContact CB-CE1 3.86Å; W486-F515 HydrophobicContact CG-CE1 4.45Å; L513-F515 HydrophobicContact CD2-CE2 3.64Å; L513-F515 HydrophobicContact CD2-CZ 3.7Å; L513-F515 HydrophobicContact CG-CE2 3.95Å; L513-F515 HydrophobicContact CG-CZ 4.15Å; F515-S518 WeakPolarHBondContact CB-OG 3.22Å; F515-G519 VanDerWaalsContact O-CA 3.25Å; F515-G519 WeakPolarHBondContact O-CA 3.29Å; F515-G519 PolarHBondContact O-N 2.94Å; F515-N520 PolarHBondContact N-O 2.89Å; F515-Y522 AromaticContact CD2-CD2 3.84Å; F515-Y522 HydrophobicContact CD2-CD2 3.84Å; F515-Y522 AromaticContact CD2-CE2 3.59Å; F515-Y522 HydrophobicContact CD2-CE2 3.59Å; F515-Y522 AromaticContact CE2-CD2 3.75Å; F515-Y522 HydrophobicContact CE2-CD2 3.75Å; F515-Y522 AromaticContact CE2-CE2 3.62Å; F515-Y522 HydrophobicContact CE2-CE2 3.62Å
516	H	97.4	Very high	96.3	Very high	90 Å²	90	35.6 Å²	35.6	42%	0.417	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-37.5	-168	-55.6	166.6	0	0	0	112.9	G485 T487 H514	G485-H516 PolarHBondContact O-N 3.36Å; T487-H516 PolarHBondContact OG1-NE2 2.91Å; H514-H516 AromaticContact ND1-CD2 3.56Å
517	A	96	Very high	96.5	Very high	96 Å²	96	33.1 Å²	33.1	79%	0.793	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-45	-176.5	0	0	0	0	0	112.6
518	S	96.1	Very high	96.6	Very high	52 Å²	52	34.3 Å²	34.3	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-21.7	178.4	60.8	0	0	0	0	113.2	Q421 F515 N520	Q421-S518 PolarHBondContact OE1-OG 2.88Å; F515-S518 WeakPolarHBondContact CB-OG 3.22Å; S518-N520 PolarHBondContact O-N 3.31Å; S518-N520 WeakPolarHBondContact OG-CB 3.15Å; S518-N520 PolarHBondContact OG-N 3.4Å; S518-N520 PolarHBondContact OG-ND2 2.94Å
519	G	96.9	Very high	96.8	Very high	30 Å²	30	30.9 Å²	30.9	31%	0.309	18%	0.183	S	C	.	.			trans	71.6	3.8	-170.2	0	0	0	0	0	113.8	F515 T553	F515-G519 VanDerWaalsContact O-CA 3.25Å; F515-G519 WeakPolarHBondContact O-CA 3.29Å; F515-G519 PolarHBondContact O-N 2.94Å; G519-T553 PolarHBondContact O-OG1 3.26Å
520	N	97.9	Very high	96.8	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.059	17%	0.173	C	C	.	.			trans	-66.4	136	-178.6	-74.1	-30.1	0	0	0	111.1	Q421 H514 F515 S518 Y522 N551	Q421-N520 PolarHBondContact OE1-ND2 3.49Å; H514-N520 WeakPolarHBondContact CA-O 3.36Å; F515-N520 PolarHBondContact N-O 2.89Å; S518-N520 PolarHBondContact O-N 3.31Å; S518-N520 WeakPolarHBondContact OG-CB 3.15Å; S518-N520 PolarHBondContact OG-N 3.4Å; S518-N520 PolarHBondContact OG-ND2 2.94Å; N520-Y522 HydrophobicContact CB-CD2 4.35Å; N520-Y522 HydrophobicContact CB-CE2 3.57Å; N520-N551 VanDerWaalsContact CG-ND2 3.27Å; N520-N551 PolarHBondContact OD1-ND2 3.3Å
521	H	97.8	Very high	96.7	Very high	25 Å²	25	30.8 Å²	30.8	12%	0.116	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	106.1	-179.8	-175.9	-169.6	0	0	0	111.3	H512 L513 N552 T553 I735	H512-H521 WeakPolarHBondContact CB-NE2 3.44Å; H512-H521 AromaticContact CG-NE2 3.68Å; H512-H521 AromaticContact ND1-CE1 3.42Å; H512-H521 PolarHBondContact ND1-CE1 3.02Å; H512-H521 AromaticContact ND1-NE2 3.15Å; H512-H521 PolarHBondContact ND1-NE2 3.48Å; H512-H521 VanDerWaalsContact ND1-NE2 3.15Å; L513-H521 WeakPolarHBondContact O-CA 2.97Å; L513-H521 PolarHBondContact O-CD2 2.67Å; H521-N552 PolarHBondContact O-N 3.13Å; H521-N552 PolarHBondContact O-ND2 3.26Å; H521-T553 PolarHBondContact N-OG1 3.06Å; H521-I735 WeakPolarHBondContact CE1-CD1 3.23Å; H521-I735 WeakPolarHBondContact ND1-CD1 3.32Å
522	Y	98.4	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.5	178.7	-59.9	-94.5	0	0	0	111.3	S418 Q421 M422 V425 H512 L513 F515 N520 I549 I550 N551	S418-Y522 PolarHBondContact O-OH 3.33Å; Q421-Y522 HydrophobicContact CG-CE2 4.1Å; Q421-Y522 WeakPolarHBondContact CG-OH 3.47Å; Q421-Y522 PolarHBondContact OE1-OH 2.76Å; M422-Y522 HydrophobicContact CB-CE1 4.15Å; M422-Y522 HydrophobicContact CE-CD1 3.81Å; M422-Y522 HydrophobicContact CE-CE1 3.57Å; M422-Y522 HydrophobicContact SD-CD1 3.68Å; M422-Y522 HydrophobicContact SD-CE1 3.58Å; M422-Y522 VanDerWaalsContact SD-CE1 3.58Å; V425-Y522 HydrophobicContact CG1-CD1 4.37Å; V425-Y522 HydrophobicContact CG1-CG 4.29Å; V425-Y522 HydrophobicContact CG2-CD1 4.4Å; V425-Y522 HydrophobicContact CG2-CD2 4.22Å; V425-Y522 HydrophobicContact CG2-CE1 4.48Å; V425-Y522 HydrophobicContact CG2-CE2 4.33Å; V425-Y522 HydrophobicContact CG2-CG 4.26Å; H512-Y522 WeakPolarHBondContact CA-O 3.49Å; L513-Y522 PolarHBondContact N-O 2.95Å; L513-Y522 PolarHBondContact O-N 3.23Å; F515-Y522 AromaticContact CD2-CD2 3.84Å; F515-Y522 HydrophobicContact CD2-CD2 3.84Å; F515-Y522 AromaticContact CD2-CE2 3.59Å; F515-Y522 HydrophobicContact CD2-CE2 3.59Å; F515-Y522 AromaticContact CE2-CD2 3.75Å; F515-Y522 HydrophobicContact CE2-CD2 3.75Å; F515-Y522 AromaticContact CE2-CE2 3.62Å; F515-Y522 HydrophobicContact CE2-CE2 3.62Å; N520-Y522 HydrophobicContact CB-CD2 4.35Å; N520-Y522 HydrophobicContact CB-CE2 3.57Å; Y522-I549 HydrophobicContact CD1-CG2 4.14Å; Y522-I550 CarbonylContact C-O 3.59Å; Y522-I550 VanDerWaalsContact CA-O 3.31Å; Y522-I550 WeakPolarHBondContact CA-O 3.46Å; Y522-N551 HydrophobicContact CD1-CB 3.93Å; Y522-N551 HydrophobicContact CE1-CB 3.68Å; Y522-N551 PolarHBondContact OH-ND2 3.49Å
523	V	97.8	Very high	95.6	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.6	175.3	-179	0	0	0	0	110.2	A510 I511 H512 I550 N552 T736	A510-V523 HydrophobicContact CB-CG1 4.03Å; I511-V523 VanDerWaalsContact O-CA 3.29Å; I511-V523 WeakPolarHBondContact O-CA 3.27Å; H512-V523 WeakPolarHBondContact ND1-CG2 3.49Å; V523-I550 PolarHBondContact N-O 2.93Å; V523-I550 PolarHBondContact O-N 2.97Å; V523-N552 VanDerWaalsContact CG2-ND2 3.31Å; V523-N552 WeakPolarHBondContact CG2-ND2 3.26Å; V523-T736 HydrophobicContact CG1-CG2 3.99Å
524	W	97.8	Very high	94.7	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	172.8	175.8	72.3	102.3	0	0	0	112.1	V425 F428 S429 A510 I511 L513 I547 E548 I549	V425-W524 HydrophobicContact CG1-CE3 4.4Å; V425-W524 HydrophobicContact CG1-CH2 4.24Å; V425-W524 HydrophobicContact CG1-CZ3 3.98Å; F428-W524 HydrophobicContact CD1-CH2 4.43Å; F428-W524 HydrophobicContact CD1-CZ2 4.2Å; F428-W524 HydrophobicContact CE1-CH2 4.47Å; F428-W524 HydrophobicContact CE1-CZ2 4.23Å; S429-W524 PolarHBondContact OG-NE1 2.72Å; A510-W524 WeakPolarHBondContact CA-O 3.36Å; I511-W524 HydrophobicContact CB-CD2 4.04Å; I511-W524 HydrophobicContact CB-CE3 4.36Å; I511-W524 HydrophobicContact CB-CH2 4.3Å; I511-W524 HydrophobicContact CB-CZ2 3.97Å; I511-W524 HydrophobicContact CB-CZ3 4.48Å; I511-W524 HydrophobicContact CD1-CZ2 4.12Å; I511-W524 HydrophobicContact CG2-CD2 4.34Å; I511-W524 HydrophobicContact CG2-CE3 4.38Å; I511-W524 HydrophobicContact CG2-CH2 3.52Å; I511-W524 HydrophobicContact CG2-CZ2 3.45Å; I511-W524 VanDerWaalsContact CG2-CZ2 3.45Å; I511-W524 HydrophobicContact CG2-CZ3 4.01Å; I511-W524 PolarHBondContact N-O 3.45Å; I511-W524 PolarHBondContact O-N 3.1Å; L513-W524 HydrophobicContact CB-CH2 3.89Å; L513-W524 HydrophobicContact CB-CZ3 3.64Å; L513-W524 HydrophobicContact CD2-CH2 4.15Å; L513-W524 HydrophobicContact CD2-CZ3 4.26Å; W524-I547 HydrophobicContact CB-CG2 3.95Å; W524-I547 HydrophobicContact CG-CG2 4.27Å; W524-E548 WeakPolarHBondContact CB-O 3.47Å; W524-I549 HydrophobicContact CB-CB 4.19Å; W524-I549 HydrophobicContact CB-CG1 3.8Å; W524-I549 HydrophobicContact CB-CG2 4.29Å; W524-I549 HydrophobicContact CE3-CG2 4.23Å; W524-I549 HydrophobicContact CG-CG1 4.18Å
525	R	96.3	Very high	93.5	Very high	108 Å²	108	32.3 Å²	32.3	41%	0.408	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.5	177	-66.2	-178.3	177.9	73.1	-0.1	110.6	A510 I547 E738	A510-R525 HydrophobicContact CB-CG 4.39Å; R525-I547 WeakPolarHBondContact O-CG2 3.39Å; R525-E738 IonicContact CZ-OE1 2.88Å; R525-E738 IonicContact NE-OE1 2.95Å; R525-E738 VanDerWaalsContact NH2-CD 3.26Å; R525-E738 IonicContact NH2-OE1 2.67Å; R525-E738 PolarHBondContact NH2-OE1 3.12Å; R525-E738 IonicContact NH2-OE2 3.2Å; R525-E738 PolarHBondContact NH2-OE2 3.5Å
526	K	96.6	Very high	92.1	Very high	38 Å²	38	35.6 Å²	35.6	17%	0.165	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-80.9	156.6	178.3	-71.4	-164.5	-177.9	-169	0	111.8	D402 Y433 P507 I511	D402-K526 IonicContact OD1-NZ 2.79Å; D402-K526 PolarHBondContact OD1-NZ 3.25Å; D402-K526 WeakPolarHBondContact OD2-CE 3.49Å; D402-K526 IonicContact OD2-NZ 3.73Å; D402-K526 PolarHBondContact OD2-NZ 2.9Å; Y433-K526 WeakPolarHBondContact OH-CA 3.16Å; Y433-K526 WeakPolarHBondContact OH-CB 3.46Å; Y433-K526 WeakPolarHBondContact OH-CG 3.35Å; P507-K526 HydrophobicContact CB-CB 4Å; P507-K526 HydrophobicContact CB-CD 4.49Å; P507-K526 HydrophobicContact CG-CB 3.42Å; P507-K526 VanDerWaalsContact CG-CB 3.42Å; P507-K526 HydrophobicContact CG-CD 4.45Å; I511-K526 HydrophobicContact CD1-CD 4.44Å; I511-K526 HydrophobicContact CD1-CG 3.9Å
527	V	97.1	Very high	90.8	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.036	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-88.2	173.4	175.8	-59.1	0	0	0	0	111.9	Y433 P507 Q543 S544 I547 F562	Y433-V527 HydrophobicContact CE1-CG2 3.9Å; Y433-V527 HydrophobicContact CE2-CG2 4.35Å; Y433-V527 PolarHBondContact OH-N 3.03Å; P507-V527 VanDerWaalsContact CD-O 3.25Å; P507-V527 WeakPolarHBondContact CD-O 3.22Å; P507-V527 VanDerWaalsContact CG-O 3.22Å; P507-V527 WeakPolarHBondContact CG-O 3.1Å; V527-Q543 HydrophobicContact CG2-CB 4.3Å; V527-S544 WeakPolarHBondContact CB-O 3.48Å; V527-I547 HydrophobicContact CG1-CD1 3.95Å; V527-I547 HydrophobicContact CG1-CG1 3.35Å; V527-F562 HydrophobicContact CG1-CD2 3.81Å; V527-F562 HydrophobicContact CG1-CE2 4.16Å; V527-F562 HydrophobicContact CG1-CG 4.34Å; V527-F562 HydrophobicContact CG2-CD1 4.16Å; V527-F562 HydrophobicContact CG2-CD2 4.27Å; V527-F562 HydrophobicContact CG2-CE1 4.38Å; V527-F562 HydrophobicContact CG2-CG 4.11Å
528	T	95.5	Very high	90	Very high	43 Å²	43	35.1 Å²	35.1	26%	0.264	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.2	178.8	-62.6	0	0	0	0	110.7	I505 M506 Q543 S544	I505-T528 WeakPolarHBondContact O-CA 3.23Å; M506-T528 HydrophobicContact CG-CG2 3.98Å; T528-Q543 PolarHBondContact O-OE1 3.2Å; T528-S544 PolarHBondContact N-O 3.19Å; T528-S544 PolarHBondContact O-N 3.48Å; T528-S544 VanDerWaalsContact O-N 3.09Å
529	S	95.7	Very high	89.5	Confident	20 Å²	20	34.7 Å²	34.7	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.3	167.7	-52	0	0	0	0	110.2	I505 D542 Q543	I505-S529 PolarHBondContact N-O 3.44Å; I505-S529 PolarHBondContact O-N 2.73Å; S529-D542 CarbonylContact C-O 3.45Å; S529-D542 WeakPolarHBondContact CA-O 3.43Å; S529-Q543 VanDerWaalsContact CB-OE1 3.25Å; S529-Q543 VanDerWaalsContact OG-CD 3.26Å; S529-Q543 PolarHBondContact OG-NE2 3.09Å; S529-Q543 PolarHBondContact OG-OE1 2.82Å
530	T	92.8	Very high	89.1	Confident	13 Å²	13	36.8 Å²	36.8	8%	0.08	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.7	177.1	-58.7	0	0	0	0	110.4	Y502 L503 H532 I541 D542	Y502-T530 HydrophobicContact CD2-CG2 3.85Å; Y502-T530 HydrophobicContact CG-CG2 4.11Å; L503-T530 WeakPolarHBondContact O-CA 3.4Å; T530-H532 WeakPolarHBondContact CG2-NE2 3.36Å; T530-H532 PolarHBondContact O-CD2 3.14Å; T530-I541 WeakPolarHBondContact O-CA 2.85Å; T530-D542 PolarHBondContact N-O 3.24Å; T530-D542 PolarHBondContact O-N 3.19Å
531	V	90.9	Very high	88.9	Confident	13 Å²	13	36.9 Å²	36.9	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.7	171.8	-169	0	0	0	0	108.1	Y502 L503 I505 I534 L539 W540 I541	Y502-V531 CarbonylContact C-O 3.57Å; Y502-V531 VanDerWaalsContact CA-O 3.26Å; Y502-V531 WeakPolarHBondContact CA-O 3.08Å; Y502-V531 WeakPolarHBondContact CB-O 3.34Å; L503-V531 HydrophobicContact CB-CB 4.26Å; L503-V531 PolarHBondContact N-O 3.41Å; L503-V531 PolarHBondContact O-N 2.99Å; I505-V531 HydrophobicContact CD1-CG2 3.89Å; V531-I534 HydrophobicContact CB-CD1 3.99Å; V531-I534 HydrophobicContact CG1-CD1 3.72Å; V531-I534 WeakPolarHBondContact O-CG1 3.38Å; V531-L539 HydrophobicContact CG1-CD2 4.33Å; V531-W540 WeakPolarHBondContact CA-O 3.49Å; V531-I541 HydrophobicContact CG2-CG1 4.2Å
532	H	87.9	Confident	88.7	Confident	38 Å²	38	35.9 Å²	35.9	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	163.9	-178.5	-67.3	-94.9	0	0	0	111.9	T530 I534 L539 W540	T530-H532 WeakPolarHBondContact CG2-NE2 3.36Å; T530-H532 PolarHBondContact O-CD2 3.14Å; H532-I534 VanDerWaalsContact C-N 3.33Å; H532-I534 PolarHBondContact O-N 3.2Å; H532-L539 WeakPolarHBondContact O-CD2 3.47Å; H532-W540 HydrophobicContact CB-CD2 3.84Å; H532-W540 HydrophobicContact CB-CG 4.13Å; H532-W540 HydrophobicContact CB-CH2 4.42Å; H532-W540 HydrophobicContact CB-CZ2 3.64Å; H532-W540 VanDerWaalsContact CB-NE1 3.29Å; H532-W540 AromaticContact CD2-CD2 3.9Å; H532-W540 AromaticContact CD2-CE2 3.74Å; H532-W540 AromaticContact CD2-CE3 3.8Å; H532-W540 AromaticContact CD2-CH2 3.35Å; H532-W540 WeakPolarHBondContact CD2-CH2 3.26Å; H532-W540 AromaticContact CD2-CZ2 3.47Å; H532-W540 VanDerWaalsContact CD2-CZ2 3.47Å; H532-W540 WeakPolarHBondContact CD2-CZ2 2.86Å; H532-W540 AromaticContact CD2-CZ3 3.55Å; H532-W540 AromaticContact CE1-CH2 3.79Å; H532-W540 AromaticContact CE1-CZ2 3.92Å; H532-W540 AromaticContact CG-CE2 3.49Å; H532-W540 VanDerWaalsContact CG-CE2 3.49Å; H532-W540 AromaticContact CG-CH2 3.68Å; H532-W540 AromaticContact CG-CZ2 3.28Å; H532-W540 AromaticContact CG-NE1 3.99Å; H532-W540 PolarHBondContact N-O 2.96Å; H532-W540 AromaticContact ND1-CH2 3.94Å; H532-W540 AromaticContact ND1-CZ2 3.59Å; H532-W540 AromaticContact NE2-CH2 3.46Å; H532-W540 WeakPolarHBondContact NE2-CH2 3.46Å; H532-W540 AromaticContact NE2-CZ2 3.89Å; H532-W540 AromaticContact NE2-CZ3 3.86Å
533	N	83.9	Confident	88.6	Confident	34 Å²	34	35.9 Å²	35.9	18%	0.182	18%	0.177	C	C	.	.			trans	61.9	35	174.3	-63.7	-14.4	0	0	0	114.3	K501 I535 V536 R538 L539 W540	K501-N533 WeakPolarHBondContact CE-OD1 3.21Å; K501-N533 PolarHBondContact O-N 2.92Å; N533-I535 PolarHBondContact O-N 3.4Å; N533-V536 WeakPolarHBondContact CB-O 3.34Å; N533-R538 WeakPolarHBondContact CB-O 3.43Å; N533-R538 PolarHBondContact ND2-O 3.05Å; N533-L539 WeakPolarHBondContact O-CD2 3.32Å; N533-W540 PolarHBondContact ND2-NE1 2.76Å
534	I	79.8	Confident	88.4	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.015	18%	0.183	C	C	.	.	S	Bend	trans	-58.6	-33.5	179.9	-63	-65.3	0	0	0	112.8	L368 M372 F498 K501 L503 V531 H532 L539	L368-I534 HydrophobicContact CD2-CD1 3.52Å; L368-I534 HydrophobicContact CD2-CG2 4.16Å; M372-I534 HydrophobicContact CB-CG2 4.22Å; M372-I534 HydrophobicContact CE-CG2 3.57Å; M372-I534 HydrophobicContact CG-CG2 4.27Å; M372-I534 HydrophobicContact SD-CB 4.5Å; M372-I534 HydrophobicContact SD-CD1 4.26Å; M372-I534 HydrophobicContact SD-CG2 3.21Å; M372-I534 WeakPolarHBondContact SD-CG2 3.43Å; F498-I534 HydrophobicContact CD2-CG2 4.37Å; F498-I534 HydrophobicContact CE2-CB 3.91Å; F498-I534 HydrophobicContact CE2-CG1 4.28Å; F498-I534 HydrophobicContact CE2-CG2 3.52Å; F498-I534 HydrophobicContact CZ-CG2 4.04Å; K501-I534 PolarHBondContact O-N 2.9Å; K501-I534 VanDerWaalsContact O-N 3.1Å; L503-I534 HydrophobicContact CB-CD1 3.8Å; L503-I534 HydrophobicContact CB-CG1 3.94Å; V531-I534 HydrophobicContact CB-CD1 3.99Å; V531-I534 HydrophobicContact CG1-CD1 3.72Å; V531-I534 WeakPolarHBondContact O-CG1 3.38Å; H532-I534 VanDerWaalsContact C-N 3.33Å; H532-I534 PolarHBondContact O-N 3.2Å; I534-L539 HydrophobicContact CD1-CD2 4.02Å
535	I	71.7	Confident	88.3	Confident	42 Å²	42	38 Å²	38	22%	0.215	20%	0.198	C	C	.	.	S	Bend	trans	-89.4	-53.9	-177.5	-48.7	-173.4	0	0	0	110.9	I240 W369 F498 G500 N533	I240-I535 HydrophobicContact CG2-CG2 4.09Å; W369-I535 HydrophobicContact CD2-CB 4.43Å; W369-I535 HydrophobicContact CD2-CG1 4.39Å; W369-I535 HydrophobicContact CD2-CG2 3.76Å; W369-I535 HydrophobicContact CE3-CB 4.12Å; W369-I535 HydrophobicContact CE3-CD1 4.1Å; W369-I535 HydrophobicContact CE3-CG1 3.62Å; W369-I535 HydrophobicContact CE3-CG2 3.87Å; W369-I535 HydrophobicContact CG-CG2 4.12Å; W369-I535 HydrophobicContact CH2-CD1 4.08Å; W369-I535 HydrophobicContact CZ2-CG2 4.49Å; W369-I535 HydrophobicContact CZ3-CD1 3.65Å; W369-I535 HydrophobicContact CZ3-CG1 3.69Å; W369-I535 HydrophobicContact CZ3-CG2 4.27Å; F498-I535 HydrophobicContact CZ-CG1 4.37Å; G500-I535 WeakPolarHBondContact O-CD1 3.32Å; G500-I535 VanDerWaalsContact O-CG1 3.25Å; G500-I535 WeakPolarHBondContact O-CG1 3.1Å; N533-I535 PolarHBondContact O-N 3.4Å
536	V	69.9	Low	88.3	Confident	71 Å²	71	38.4 Å²	38.4	43%	0.43	21%	0.208	S	C	.	.	S	Bend	trans	-141.8	136.2	-174.4	-178.6	0	0	0	0	109.8	N533	N533-V536 WeakPolarHBondContact CB-O 3.34Å
537	G	70.8	Confident	88.4	Confident	28 Å²	28	36.8 Å²	36.8	29%	0.289	20%	0.201	S	C	.	.	S	Bend	trans	103.8	176.7	177.5	0	0	0	0	0	113.1	L539	G537-L539 PolarHBondContact O-N 3.39Å
538	R	78.5	Confident	88.4	Confident	147 Å²	147	41.3 Å²	41.3	56%	0.555	22%	0.222	S	C	*	.			trans	-69.9	127.2	175.7	-175.3	175.8	177.8	-178.6	1	110	N533	N533-R538 WeakPolarHBondContact CB-O 3.43Å; N533-R538 PolarHBondContact ND2-O 3.05Å
539	L	85.7	Confident	88.6	Confident	44 Å²	44	39.2 Å²	39.2	23%	0.23	21%	0.209	C	C	.	.			trans	-61.4	134.7	172.2	-62.4	176.9	0	0	0	110.3	L368 T440 V531 H532 N533 I534 G537	L368-L539 HydrophobicContact CD2-CD1 4.23Å; L368-L539 HydrophobicContact CD2-CD2 4.4Å; T440-L539 HydrophobicContact CG2-CB 3.8Å; V531-L539 HydrophobicContact CG1-CD2 4.33Å; H532-L539 WeakPolarHBondContact O-CD2 3.47Å; N533-L539 WeakPolarHBondContact O-CD2 3.32Å; I534-L539 HydrophobicContact CD1-CD2 4.02Å; G537-L539 PolarHBondContact O-N 3.39Å
540	W	88.6	Confident	88.7	Confident	73 Å²	73	40.9 Å²	40.9	28%	0.277	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.5	172	63.5	-85.6	0	0	0	110.2	V531 H532 N533 D542 Y565	V531-W540 WeakPolarHBondContact CA-O 3.49Å; H532-W540 HydrophobicContact CB-CD2 3.84Å; H532-W540 HydrophobicContact CB-CG 4.13Å; H532-W540 HydrophobicContact CB-CH2 4.42Å; H532-W540 HydrophobicContact CB-CZ2 3.64Å; H532-W540 VanDerWaalsContact CB-NE1 3.29Å; H532-W540 AromaticContact CD2-CD2 3.9Å; H532-W540 AromaticContact CD2-CE2 3.74Å; H532-W540 AromaticContact CD2-CE3 3.8Å; H532-W540 AromaticContact CD2-CH2 3.35Å; H532-W540 WeakPolarHBondContact CD2-CH2 3.26Å; H532-W540 AromaticContact CD2-CZ2 3.47Å; H532-W540 VanDerWaalsContact CD2-CZ2 3.47Å; H532-W540 WeakPolarHBondContact CD2-CZ2 2.86Å; H532-W540 AromaticContact CD2-CZ3 3.55Å; H532-W540 AromaticContact CE1-CH2 3.79Å; H532-W540 AromaticContact CE1-CZ2 3.92Å; H532-W540 AromaticContact CG-CE2 3.49Å; H532-W540 VanDerWaalsContact CG-CE2 3.49Å; H532-W540 AromaticContact CG-CH2 3.68Å; H532-W540 AromaticContact CG-CZ2 3.28Å; H532-W540 AromaticContact CG-NE1 3.99Å; H532-W540 PolarHBondContact N-O 2.96Å; H532-W540 AromaticContact ND1-CH2 3.94Å; H532-W540 AromaticContact ND1-CZ2 3.59Å; H532-W540 AromaticContact NE2-CH2 3.46Å; H532-W540 WeakPolarHBondContact NE2-CH2 3.46Å; H532-W540 AromaticContact NE2-CZ2 3.89Å; H532-W540 AromaticContact NE2-CZ3 3.86Å; N533-W540 PolarHBondContact ND2-NE1 2.76Å; W540-D542 HydrophobicContact CE3-CB 4.32Å; W540-D542 HydrophobicContact CH2-CB 4.32Å; W540-D542 HydrophobicContact CZ3-CB 3.61Å; W540-Y565 AromaticContact CH2-CD1 3.62Å; W540-Y565 HydrophobicContact CH2-CD1 3.62Å; W540-Y565 HydrophobicContact CH2-CE1 4.46Å; W540-Y565 AromaticContact CH2-CG 3.94Å; W540-Y565 HydrophobicContact CH2-CG 3.94Å; W540-Y565 HydrophobicContact CZ2-CD1 4.13Å; W540-Y565 HydrophobicContact CZ3-CD1 4.46Å; W540-Y565 HydrophobicContact CZ3-CG 4.37Å
541	I	92.4	Very high	89	Confident	13 Å²	13	40.2 Å²	40.2	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136	-175.2	-67.4	164.9	0	0	0	109.3	T436 R439 T440 T530 V531	T436-I541 WeakPolarHBondContact O-CD1 3.2Å; R439-I541 WeakPolarHBondContact O-CD1 3.25Å; T440-I541 HydrophobicContact CG2-CD1 4.07Å; T440-I541 HydrophobicContact CG2-CG1 4.27Å; T530-I541 WeakPolarHBondContact O-CA 2.85Å; V531-I541 HydrophobicContact CG2-CG1 4.2Å
542	D	94.6	Very high	89.2	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.7	166.9	-154.7	15.9	0	0	0	111.2	S529 T530 W540 Y565	S529-D542 CarbonylContact C-O 3.45Å; S529-D542 WeakPolarHBondContact CA-O 3.43Å; T530-D542 PolarHBondContact N-O 3.24Å; T530-D542 PolarHBondContact O-N 3.19Å; W540-D542 HydrophobicContact CE3-CB 4.32Å; W540-D542 HydrophobicContact CH2-CB 4.32Å; W540-D542 HydrophobicContact CZ3-CB 3.61Å; D542-Y565 WeakPolarHBondContact OD2-CB 3.3Å; D542-Y565 PolarHBondContact OD2-N 3.29Å
543	Q	95.9	Very high	89.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126	174.8	-55.6	-64.1	-9.8	0	0	108.3	Y433 T436 V527 T528 S529 F562 W595	Y433-Q543 VanDerWaalsContact CD1-CD 3.49Å; Y433-Q543 HydrophobicContact CD1-CG 3.92Å; Y433-Q543 HydrophobicContact CG-CG 4.2Å; T436-Q543 PolarHBondContact OG1-NE2 2.89Å; V527-Q543 HydrophobicContact CG2-CB 4.3Å; T528-Q543 PolarHBondContact O-OE1 3.2Å; S529-Q543 VanDerWaalsContact CB-OE1 3.25Å; S529-Q543 VanDerWaalsContact OG-CD 3.26Å; S529-Q543 PolarHBondContact OG-NE2 3.09Å; S529-Q543 PolarHBondContact OG-OE1 2.82Å; Q543-F562 HydrophobicContact CB-CD1 3.91Å; Q543-F562 HydrophobicContact CB-CE1 4.46Å; Q543-W595 HydrophobicContact CB-CD2 4.28Å; Q543-W595 HydrophobicContact CB-CG 4.46Å; Q543-W595 HydrophobicContact CB-CZ2 4.29Å; Q543-W595 HydrophobicContact CG-CD2 3.86Å; Q543-W595 HydrophobicContact CG-CE3 4.07Å; Q543-W595 HydrophobicContact CG-CG 4.46Å; Q543-W595 HydrophobicContact CG-CH2 4.01Å; Q543-W595 HydrophobicContact CG-CZ2 3.78Å; Q543-W595 HydrophobicContact CG-CZ3 4.11Å
544	S	94.2	Very high	90.2	Very high	28 Å²	28	43.7 Å²	43.7	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.1	-176.9	62.6	0	0	0	0	113.5	V527 T528	V527-S544 WeakPolarHBondContact CB-O 3.48Å; T528-S544 PolarHBondContact N-O 3.19Å; T528-S544 PolarHBondContact O-N 3.48Å; T528-S544 VanDerWaalsContact O-N 3.09Å
545	G	95.6	Very high	91	Very high	31 Å²	31	49.3 Å²	49.3	32%	0.32	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.5	-175	-176.8	0	0	0	0	0	112.3	F562	G545-F562 PolarHBondContact N-O 3.36Å; G545-F562 WeakPolarHBondContact O-CB 3.46Å; G545-F562 PolarHBondContact O-N 3.42Å
546	D	96.9	Very high	92.3	Very high	117 Å²	117	48 Å²	48	63%	0.626	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.9	-176.5	-55.1	-42.7	0	0	0	110.4	L560 K561	D546-L560 CarbonylContact C-O 3.53Å; D546-L560 VanDerWaalsContact CA-O 3.28Å; D546-L560 WeakPolarHBondContact CA-O 3.48Å; D546-K561 WeakPolarHBondContact OD1-CG 3.41Å
547	I	98	Very high	93.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.8	168.3	-56.3	-175.4	0	0	0	107.9	Y433 W524 R525 V527 I549 L560 F562	Y433-I547 HydrophobicContact CE2-CD1 4.19Å; W524-I547 HydrophobicContact CB-CG2 3.95Å; W524-I547 HydrophobicContact CG-CG2 4.27Å; R525-I547 WeakPolarHBondContact O-CG2 3.39Å; V527-I547 HydrophobicContact CG1-CD1 3.95Å; V527-I547 HydrophobicContact CG1-CG1 3.35Å; I547-I549 HydrophobicContact CG2-CD1 4.49Å; I547-I549 HydrophobicContact CG2-CG1 3.78Å; I547-L560 HydrophobicContact CB-CB 4.14Å; I547-L560 HydrophobicContact CB-CD1 4.3Å; I547-L560 HydrophobicContact CG2-CD1 4.49Å; I547-L560 PolarHBondContact N-O 3.43Å; I547-L560 PolarHBondContact O-N 3.42Å; I547-F562 HydrophobicContact CD1-CD2 4.45Å; I547-F562 HydrophobicContact CD1-CE2 3.5Å; I547-F562 HydrophobicContact CD1-CZ 3.94Å; I547-F562 HydrophobicContact CG1-CD2 4.35Å; I547-F562 HydrophobicContact CG1-CE2 3.8Å
548	E	97.8	Very high	95	Very high	101 Å²	101	44.8 Å²	44.8	47%	0.472	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118	166.1	-170.6	178.7	-145.8	0	0	109	W524 I550 C558	W524-E548 WeakPolarHBondContact CB-O 3.47Å; E548-I550 HydrophobicContact CG-CD1 4.25Å; E548-I550 HydrophobicContact CG-CG1 3.91Å; E548-C558 WeakPolarHBondContact CA-O 3.5Å
549	I	98.6	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.5	174.1	-47.5	179	0	0	0	107.8	M422 V425 A426 Y522 W524 I547 T557 C558 L560	M422-I549 HydrophobicContact SD-CB 3.98Å; M422-I549 HydrophobicContact SD-CG2 3.62Å; V425-I549 HydrophobicContact CG1-CD1 4.47Å; V425-I549 HydrophobicContact CG1-CG2 4.03Å; A426-I549 HydrophobicContact CB-CD1 3.87Å; Y522-I549 HydrophobicContact CD1-CG2 4.14Å; W524-I549 HydrophobicContact CB-CB 4.19Å; W524-I549 HydrophobicContact CB-CG1 3.8Å; W524-I549 HydrophobicContact CB-CG2 4.29Å; W524-I549 HydrophobicContact CE3-CG2 4.23Å; W524-I549 HydrophobicContact CG-CG1 4.18Å; I547-I549 HydrophobicContact CG2-CD1 4.49Å; I547-I549 HydrophobicContact CG2-CG1 3.78Å; I549-T557 CarbonylContact O-C 3.59Å; I549-T557 WeakPolarHBondContact O-CA 3.47Å; I549-C558 HydrophobicContact CB-CB 4.18Å; I549-C558 PolarHBondContact N-O 3.49Å; I549-C558 PolarHBondContact O-N 3.17Å; I549-L560 HydrophobicContact CD1-CD1 3.95Å
550	I	98.3	Very high	96.5	Very high	54 Å²	54	41.4 Å²	41.4	28%	0.277	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.1	-176.5	-56.2	173.1	0	0	0	109	Y522 V523 E548 N552 T557	Y522-I550 CarbonylContact C-O 3.59Å; Y522-I550 VanDerWaalsContact CA-O 3.31Å; Y522-I550 WeakPolarHBondContact CA-O 3.46Å; V523-I550 PolarHBondContact N-O 2.93Å; V523-I550 PolarHBondContact O-N 2.97Å; E548-I550 HydrophobicContact CG-CD1 4.25Å; E548-I550 HydrophobicContact CG-CG1 3.91Å; I550-N552 PolarHBondContact O-N 2.98Å; I550-T557 HydrophobicContact CG1-CG2 4.45Å
551	N	98.1	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.4	164.9	-174.7	-15	0	0	0	108.9	M422 N520 Y522 T553 T554 K555 E556	M422-N551 HydrophobicContact CE-CB 3.86Å; N520-N551 VanDerWaalsContact CG-ND2 3.27Å; N520-N551 PolarHBondContact OD1-ND2 3.3Å; Y522-N551 HydrophobicContact CD1-CB 3.93Å; Y522-N551 HydrophobicContact CE1-CB 3.68Å; Y522-N551 PolarHBondContact OH-ND2 3.49Å; N551-T553 PolarHBondContact O-N 3.05Å; N551-T553 WeakPolarHBondContact OD1-CB 3.41Å; N551-T553 PolarHBondContact OD1-N 3.33Å; N551-T554 WeakPolarHBondContact CB-OG1 3.47Å; N551-T554 PolarHBondContact ND2-OG1 3.5Å; N551-T554 PolarHBondContact OD1-N 2.93Å; N551-K555 WeakPolarHBondContact O-CA 3.3Å; N551-K555 PolarHBondContact O-N 3.28Å; N551-E556 HydrophobicContact CB-CB 4.45Å; N551-E556 PolarHBondContact N-O 3Å
552	N	96.4	Very high	97.1	Very high	35 Å²	35	41.2 Å²	41.2	19%	0.187	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.9	-176.6	-73.1	-77.7	0	0	0	113.8	H521 V523 I550 K555 I735	H521-N552 PolarHBondContact O-N 3.13Å; H521-N552 PolarHBondContact O-ND2 3.26Å; V523-N552 VanDerWaalsContact CG2-ND2 3.31Å; V523-N552 WeakPolarHBondContact CG2-ND2 3.26Å; I550-N552 PolarHBondContact O-N 2.98Å; N552-K555 WeakPolarHBondContact O-CE 3.32Å; N552-K555 PolarHBondContact O-NZ 3.46Å; N552-I735 HydrophobicContact CB-CD1 4.35Å; N552-I735 HydrophobicContact CB-CG2 4.35Å; N552-I735 VanDerWaalsContact CG-CG2 3.48Å; N552-I735 WeakPolarHBondContact OD1-CG2 3.25Å
553	T	95.8	Very high	96.9	Very high	79 Å²	79	42.5 Å²	42.5	49%	0.485	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-54.1	178.7	-52.4	0	0	0	0	111.1	G519 H521 N551	G519-T553 PolarHBondContact O-OG1 3.26Å; H521-T553 PolarHBondContact N-OG1 3.06Å; N551-T553 PolarHBondContact O-N 3.05Å; N551-T553 WeakPolarHBondContact OD1-CB 3.41Å; N551-T553 PolarHBondContact OD1-N 3.33Å
554	T	96.4	Very high	96.5	Very high	43 Å²	43	45.9 Å²	45.9	26%	0.264	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-15	-177	60.2	0	0	0	0	113.9	N551 E556 S583	N551-T554 WeakPolarHBondContact CB-OG1 3.47Å; N551-T554 PolarHBondContact ND2-OG1 3.5Å; N551-T554 PolarHBondContact OD1-N 2.93Å; T554-E556 PolarHBondContact O-N 3.48Å; T554-E556 VanDerWaalsContact OG1-CG 3.28Å; T554-E556 WeakPolarHBondContact OG1-CG 3.35Å; T554-E556 PolarHBondContact OG1-N 3.06Å; T554-E556 PolarHBondContact OG1-OE2 3.25Å; T554-S583 WeakPolarHBondContact O-CB 3.44Å
555	K	97.3	Very high	96	Very high	121 Å²	121	49.8 Å²	49.8	53%	0.526	26%	0.258	S	S	.	.			trans	65.7	12.2	-172.6	-50.5	-53.3	-172.7	-168.3	0	115.1	N551 N552	N551-K555 WeakPolarHBondContact O-CA 3.3Å; N551-K555 PolarHBondContact O-N 3.28Å; N552-K555 WeakPolarHBondContact O-CE 3.32Å; N552-K555 PolarHBondContact O-NZ 3.46Å
556	E	98.3	Very high	95	Very high	15 Å²	15	51 Å²	51	7%	0.07	26%	0.261	C	S	.	.			trans	-65.9	150	168.5	-61.3	159.9	153.4	0	0	110.6	S418 L419 M422 N551 T554 A581	S418-E556 WeakPolarHBondContact CB-OE1 3.43Å; S418-E556 WeakPolarHBondContact CB-OE2 3.16Å; S418-E556 VanDerWaalsContact OG-CD 3.25Å; S418-E556 PolarHBondContact OG-OE1 3.42Å; S418-E556 PolarHBondContact OG-OE2 3Å; L419-E556 HydrophobicContact CD2-CB 4.41Å; L419-E556 HydrophobicContact CD2-CG 3.98Å; L419-E556 WeakPolarHBondContact CG-OE1 3.45Å; M422-E556 HydrophobicContact CE-CB 4.17Å; M422-E556 VanDerWaalsContact CE-O 3.31Å; M422-E556 WeakPolarHBondContact CE-O 3.38Å; N551-E556 HydrophobicContact CB-CB 4.45Å; N551-E556 PolarHBondContact N-O 3Å; T554-E556 PolarHBondContact O-N 3.48Å; T554-E556 VanDerWaalsContact OG1-CG 3.28Å; T554-E556 WeakPolarHBondContact OG1-CG 3.35Å; T554-E556 PolarHBondContact OG1-N 3.06Å; T554-E556 PolarHBondContact OG1-OE2 3.25Å; E556-A581 WeakPolarHBondContact CA-O 3.28Å; E556-A581 WeakPolarHBondContact CB-O 3.22Å
557	T	98.4	Very high	93.3	Very high	31 Å²	31	52.7 Å²	52.7	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152	-178.1	62.5	0	0	0	0	111.6	I549 I550 V580 A581	I549-T557 CarbonylContact O-C 3.59Å; I549-T557 WeakPolarHBondContact O-CA 3.47Å; I550-T557 HydrophobicContact CG1-CG2 4.45Å; T557-V580 WeakPolarHBondContact O-CA 3.35Å; T557-A581 PolarHBondContact N-O 3Å; T557-A581 PolarHBondContact O-N 3.31Å
558	C	98.6	Very high	91.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.8	165.2	179.4	0	0	0	0	109.4	M422 E548 I549 V579 V580	M422-C558 HydrophobicContact CG-CB 3.66Å; M422-C558 HydrophobicContact SD-CB 3.78Å; E548-C558 WeakPolarHBondContact CA-O 3.5Å; I549-C558 HydrophobicContact CB-CB 4.18Å; I549-C558 PolarHBondContact N-O 3.49Å; I549-C558 PolarHBondContact O-N 3.17Å; C558-V579 VanDerWaalsContact CA-O 3.29Å; C558-V579 WeakPolarHBondContact CA-O 3.33Å; C558-V580 HydrophobicContact CB-CG2 4.05Å
559	Q	98.2	Very high	90.2	Very high	118 Å²	118	57.5 Å²	57.5	55%	0.551	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.2	174.2	-66.3	-179.3	-5.6	0	0	108.5	G578 V579	Q559-G578 CarbonylContact O-C 3.55Å; Q559-G578 WeakPolarHBondContact O-CA 3.32Å; Q559-V579 PolarHBondContact N-O 3.45Å; Q559-V579 PolarHBondContact O-N 3.27Å
560	L	98.3	Very high	88.9	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.4	174.1	-64.3	163.8	0	0	0	109.4	A426 V430 D546 I547 I549 F562 V576 T577 L591 M599	A426-L560 HydrophobicContact CB-CD1 4.14Å; A426-L560 HydrophobicContact CB-CD2 4.37Å; V430-L560 HydrophobicContact CG2-CD1 3.95Å; V430-L560 HydrophobicContact CG2-CD2 4.34Å; D546-L560 CarbonylContact C-O 3.53Å; D546-L560 VanDerWaalsContact CA-O 3.28Å; D546-L560 WeakPolarHBondContact CA-O 3.48Å; I547-L560 HydrophobicContact CB-CB 4.14Å; I547-L560 HydrophobicContact CB-CD1 4.3Å; I547-L560 HydrophobicContact CG2-CD1 4.49Å; I547-L560 PolarHBondContact N-O 3.43Å; I547-L560 PolarHBondContact O-N 3.42Å; I549-L560 HydrophobicContact CD1-CD1 3.95Å; L560-F562 HydrophobicContact CB-CE2 4.35Å; L560-V576 HydrophobicContact CD2-CG1 4.26Å; L560-T577 CarbonylContact C-O 3.59Å; L560-T577 WeakPolarHBondContact CA-O 3.4Å; L560-L591 HydrophobicContact CD2-CB 4.5Å; L560-L591 HydrophobicContact CD2-CD1 3.96Å; L560-M599 HydrophobicContact CD2-CE 4.29Å
561	K	96.7	Very high	87.9	Confident	80 Å²	80	70.3 Å²	70.3	35%	0.348	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.9	177.6	-176.5	165.7	-163.5	-179.4	0	110	D546 I563 V576 T577	D546-K561 WeakPolarHBondContact OD1-CG 3.41Å; K561-I563 HydrophobicContact CG-CG1 4.39Å; K561-V576 WeakPolarHBondContact O-CA 3.44Å; K561-T577 PolarHBondContact N-O 2.98Å; K561-T577 PolarHBondContact O-N 2.94Å; K561-T577 VanDerWaalsContact O-N 3.11Å
562	F	96.8	Very high	87.2	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.009	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	106.3	173	-71.2	-111.7	0	0	0	108.2	V430 Y433 V527 Q543 G545 I547 L560 P564 V576 W595	V430-F562 HydrophobicContact CG2-CZ 4.03Å; Y433-F562 AromaticContact CD2-CE1 3.75Å; Y433-F562 HydrophobicContact CD2-CE1 3.75Å; Y433-F562 AromaticContact CD2-CZ 3.86Å; Y433-F562 HydrophobicContact CD2-CZ 3.86Å; Y433-F562 AromaticContact CE2-CE1 3.99Å; Y433-F562 HydrophobicContact CE2-CE1 3.99Å; Y433-F562 AromaticContact CE2-CZ 3.75Å; Y433-F562 HydrophobicContact CE2-CZ 3.75Å; Y433-F562 HydrophobicContact CG-CE1 4.37Å; V527-F562 HydrophobicContact CG1-CD2 3.81Å; V527-F562 HydrophobicContact CG1-CE2 4.16Å; V527-F562 HydrophobicContact CG1-CG 4.34Å; V527-F562 HydrophobicContact CG2-CD1 4.16Å; V527-F562 HydrophobicContact CG2-CD2 4.27Å; V527-F562 HydrophobicContact CG2-CE1 4.38Å; V527-F562 HydrophobicContact CG2-CG 4.11Å; Q543-F562 HydrophobicContact CB-CD1 3.91Å; Q543-F562 HydrophobicContact CB-CE1 4.46Å; G545-F562 PolarHBondContact N-O 3.36Å; G545-F562 WeakPolarHBondContact O-CB 3.46Å; G545-F562 PolarHBondContact O-N 3.42Å; I547-F562 HydrophobicContact CD1-CD2 4.45Å; I547-F562 HydrophobicContact CD1-CE2 3.5Å; I547-F562 HydrophobicContact CD1-CZ 3.94Å; I547-F562 HydrophobicContact CG1-CD2 4.35Å; I547-F562 HydrophobicContact CG1-CE2 3.8Å; L560-F562 HydrophobicContact CB-CE2 4.35Å; F562-P564 WeakPolarHBondContact O-CD 3.48Å; F562-V576 HydrophobicContact CD1-CG2 3.66Å; F562-V576 HydrophobicContact CD2-CG1 4.34Å; F562-V576 HydrophobicContact CE1-CG2 3.77Å; F562-V576 HydrophobicContact CE2-CG1 4.2Å; F562-V576 HydrophobicContact CG-CG2 4.08Å; F562-V576 HydrophobicContact CZ-CG1 4.38Å; F562-V576 HydrophobicContact CZ-CG2 4.25Å; F562-W595 HydrophobicContact CD1-CB 4.35Å; F562-W595 AromaticContact CD1-CD1 3.88Å; F562-W595 HydrophobicContact CD1-CG 4.31Å; F562-W595 HydrophobicContact CE1-CB 3.87Å; F562-W595 HydrophobicContact CE1-CG 4.25Å
563	I	91.1	Very high	86.8	Confident	31 Å²	31	76.1 Å²	76.1	16%	0.159	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-76.7	117.4	-174.2	-56.8	-179	0	0	0	108.4	K561 K575	K561-I563 HydrophobicContact CG-CG1 4.39Å; I563-K575 HydrophobicContact CB-CB 4.49Å; I563-K575 HydrophobicContact CD1-CB 4.19Å; I563-K575 HydrophobicContact CD1-CD 3.78Å; I563-K575 HydrophobicContact CD1-CG 3.81Å; I563-K575 PolarHBondContact N-O 3.36Å
564	P	87	Confident	86.6	Confident	71 Å²	71	76 Å²	76	46%	0.461	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63.4	145.2	178.9	26.5	-33.4	0	0	0	110.3	F562 S566	F562-P564 WeakPolarHBondContact O-CD 3.48Å; P564-S566 PolarHBondContact O-N 2.93Å
565	Y	82.5	Confident	86.6	Confident	111 Å²	111	76.6 Å²	76.6	44%	0.435	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.9	127.8	172.2	177.8	-97.6	0	0	0	110.6	W540 D542 P573	W540-Y565 AromaticContact CH2-CD1 3.62Å; W540-Y565 HydrophobicContact CH2-CD1 3.62Å; W540-Y565 HydrophobicContact CH2-CE1 4.46Å; W540-Y565 AromaticContact CH2-CG 3.94Å; W540-Y565 HydrophobicContact CH2-CG 3.94Å; W540-Y565 HydrophobicContact CZ2-CD1 4.13Å; W540-Y565 HydrophobicContact CZ3-CD1 4.46Å; W540-Y565 HydrophobicContact CZ3-CG 4.37Å; D542-Y565 WeakPolarHBondContact OD2-CB 3.3Å; D542-Y565 PolarHBondContact OD2-N 3.29Å; Y565-P573 HydrophobicContact CD2-CB 4.17Å; Y565-P573 HydrophobicContact CD2-CG 4.41Å; Y565-P573 HydrophobicContact CE2-CG 4.35Å
566	S	75.6	Confident	86.6	Confident	55 Å²	55	70.8 Å²	70.8	39%	0.385	34%	0.337	S	S	.	.			trans	-135.6	129.4	173.4	174.7	0	0	0	0	109.1	P564 F568 S569	P564-S566 PolarHBondContact O-N 2.93Å; S566-F568 PolarHBondContact O-N 3.3Å; S566-F568 PolarHBondContact OG-N 3.29Å; S566-S569 PolarHBondContact O-N 3.3Å; S566-S569 VanDerWaalsContact O-N 3.17Å
567	Y	60.9	Low	86.5	Confident	154 Å²	154	71.2 Å²	71.2	60%	0.604	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.8	178	-171.6	-97.4	0	0	0	112.5
568	F	60.6	Low	86.4	Confident	159 Å²	159	69.9 Å²	69.9	70%	0.697	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.9	-179.2	-56	-71.9	0	0	0	113.3	S566	S566-F568 PolarHBondContact O-N 3.3Å; S566-F568 PolarHBondContact OG-N 3.29Å
569	S	69.5	Low	86.4	Confident	46 Å²	46	71.1 Å²	71.1	32%	0.322	34%	0.341	S	S	.	.			trans	-79.3	142.9	177.5	-174.9	0	0	0	0	110.9	S566 D571	S566-S569 PolarHBondContact O-N 3.3Å; S566-S569 VanDerWaalsContact O-N 3.17Å; S569-D571 VanDerWaalsContact C-N 3.28Å; S569-D571 WeakPolarHBondContact OG-CB 3.48Å; S569-D571 PolarHBondContact OG-N 2.91Å; S569-D571 PolarHBondContact OG-OD2 3.1Å; S569-D571 VanDerWaalsContact OG-OD2 3.09Å
570	R	73.3	Confident	86.4	Confident	254 Å²	254	65.5 Å²	65.5	96%	0.958	31%	0.314	S	S	*	.			trans	-85.9	-2.7	169	-64.4	-176.5	177.9	-177.7	0.1	112.5
571	D	75.3	Confident	86.3	Confident	68 Å²	68	65.9 Å²	65.9	36%	0.364	32%	0.318	S	S	.	.	S	Bend	trans	-65.3	150.2	177.8	-76.1	-56	0	0	0	111.8	S569 K575	S569-D571 VanDerWaalsContact C-N 3.28Å; S569-D571 WeakPolarHBondContact OG-CB 3.48Å; S569-D571 PolarHBondContact OG-N 2.91Å; S569-D571 PolarHBondContact OG-OD2 3.1Å; S569-D571 VanDerWaalsContact OG-OD2 3.09Å; D571-K575 HydrophobicContact CB-CD 4.28Å; D571-K575 IonicContact OD1-NZ 3.25Å; D571-K575 PolarHBondContact OD1-NZ 3.15Å
572	V	84.4	Confident	86.3	Confident	94 Å²	94	63.3 Å²	63.3	57%	0.57	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-59.9	131.1	168.6	-176.3	0	0	0	0	108	K575 T594	V572-K575 WeakPolarHBondContact O-CB 3.28Å; V572-K575 PolarHBondContact O-N 3.42Å; V572-T594 HydrophobicContact CG1-CG2 4.04Å
573	P	87.2	Confident	86.3	Confident	63 Å²	63	67 Å²	67	41%	0.409	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	146.9	173.9	-26.3	34.8	0	0	0	111	Y565 K575	Y565-P573 HydrophobicContact CD2-CB 4.17Å; Y565-P573 HydrophobicContact CD2-CG 4.41Å; Y565-P573 HydrophobicContact CE2-CG 4.35Å; P573-K575 PolarHBondContact O-N 2.86Å; P573-K575 VanDerWaalsContact O-N 3.17Å
574	R	93.1	Very high	86.5	Confident	78 Å²	78	73.8 Å²	73.8	29%	0.294	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	18.2	175.9	-54.7	177.9	-169.3	111.2	12.1	114.6	T594 W595 D596	R574-T594 VanDerWaalsContact O-CA 3.25Å; R574-T594 WeakPolarHBondContact O-CA 3.45Å; R574-T594 WeakPolarHBondContact O-CB 3.43Å; R574-W595 HydrophobicContact CB-CD2 4.28Å; R574-W595 HydrophobicContact CB-CG 4.31Å; R574-W595 HydrophobicContact CB-CZ2 4.12Å; R574-W595 VanDerWaalsContact CB-NE1 3.27Å; R574-W595 VanDerWaalsContact CD-CZ2 3.45Å; R574-W595 HydrophobicContact CG-CH2 4.49Å; R574-W595 HydrophobicContact CG-CZ2 3.53Å; R574-W595 PolarHBondContact O-N 2.89Å; R574-W595 VanDerWaalsContact O-N 3.16Å; R574-D596 WeakPolarHBondContact CD-OD2 3.48Å; R574-D596 IonicContact CZ-OD2 3.16Å; R574-D596 IonicContact NE-OD2 2.67Å; R574-D596 IonicContact NH1-OD2 2.86Å; R574-D596 PolarHBondContact NH1-OD2 3.2Å
575	K	95.3	Very high	86.7	Confident	54 Å²	54	73 Å²	73	24%	0.235	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	136.1	179	177.7	172.5	165.9	-170.6	0	111.2	I563 D571 V572 P573 T577 G593	I563-K575 HydrophobicContact CB-CB 4.49Å; I563-K575 HydrophobicContact CD1-CB 4.19Å; I563-K575 HydrophobicContact CD1-CD 3.78Å; I563-K575 HydrophobicContact CD1-CG 3.81Å; I563-K575 PolarHBondContact N-O 3.36Å; D571-K575 HydrophobicContact CB-CD 4.28Å; D571-K575 IonicContact OD1-NZ 3.25Å; D571-K575 PolarHBondContact OD1-NZ 3.15Å; V572-K575 WeakPolarHBondContact O-CB 3.28Å; V572-K575 PolarHBondContact O-N 3.42Å; P573-K575 PolarHBondContact O-N 2.86Å; P573-K575 VanDerWaalsContact O-N 3.17Å; K575-T577 HydrophobicContact CG-CG2 4.25Å; K575-G593 WeakPolarHBondContact CA-O 3.43Å
576	V	97.1	Very high	87.2	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.9	171	-175.6	0	0	0	0	108	V430 L560 K561 F562 G593 W595 M599	V430-V576 HydrophobicContact CG1-CG2 4.44Å; V430-V576 HydrophobicContact CG2-CG1 4.08Å; L560-V576 HydrophobicContact CD2-CG1 4.26Å; K561-V576 WeakPolarHBondContact O-CA 3.44Å; F562-V576 HydrophobicContact CD1-CG2 3.66Å; F562-V576 HydrophobicContact CD2-CG1 4.34Å; F562-V576 HydrophobicContact CE1-CG2 3.77Å; F562-V576 HydrophobicContact CE2-CG1 4.2Å; F562-V576 HydrophobicContact CG-CG2 4.08Å; F562-V576 HydrophobicContact CZ-CG1 4.38Å; F562-V576 HydrophobicContact CZ-CG2 4.25Å; V576-G593 PolarHBondContact N-O 2.78Å; V576-G593 PolarHBondContact O-N 3.44Å; V576-W595 HydrophobicContact CG2-CB 3.84Å; V576-W595 HydrophobicContact CG2-CG 4.32Å; V576-M599 HydrophobicContact CG1-CE 4.28Å
577	T	96.8	Very high	88.2	Confident	23 Å²	23	71.3 Å²	71.3	14%	0.141	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157	170.7	57.6	0	0	0	0	109.4	L560 K561 K575 L591	L560-T577 CarbonylContact C-O 3.59Å; L560-T577 WeakPolarHBondContact CA-O 3.4Å; K561-T577 PolarHBondContact N-O 2.98Å; K561-T577 PolarHBondContact O-N 2.94Å; K561-T577 VanDerWaalsContact O-N 3.11Å; K575-T577 HydrophobicContact CG-CG2 4.25Å; T577-L591 CarbonylContact C-O 3.59Å; T577-L591 WeakPolarHBondContact CA-O 3.29Å
578	G	96.9	Very high	89.8	Confident	3 Å²	3	66.2 Å²	66.2	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	167.6	170.1	0	0	0	0	0	114.4	Q559 I590 L591	Q559-G578 CarbonylContact O-C 3.55Å; Q559-G578 WeakPolarHBondContact O-CA 3.32Å; G578-I590 WeakPolarHBondContact O-CA 3.36Å; G578-L591 PolarHBondContact N-O 3.3Å; G578-L591 PolarHBondContact O-N 2.85Å
579	V	97.4	Very high	91.6	Very high	27 Å²	27	59.4 Å²	59.4	16%	0.164	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.5	-179.8	-174.7	0	0	0	0	107.8	F301 C558 Q559 A587 Y589 I590	F301-V579 HydrophobicContact CD1-CG2 4.26Å; F301-V579 HydrophobicContact CE1-CG2 3.72Å; F301-V579 HydrophobicContact CZ-CG2 4.13Å; C558-V579 VanDerWaalsContact CA-O 3.29Å; C558-V579 WeakPolarHBondContact CA-O 3.33Å; Q559-V579 PolarHBondContact N-O 3.45Å; Q559-V579 PolarHBondContact O-N 3.27Å; V579-A587 HydrophobicContact CG1-CB 3.58Å; V579-Y589 WeakPolarHBondContact CA-O 3.41Å; V579-I590 HydrophobicContact CB-CD1 4.39Å; V579-I590 HydrophobicContact CG1-CD1 4.18Å; V579-I590 HydrophobicContact CG2-CD1 3.8Å
580	V	98.3	Very high	92.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.5	170.2	-178.1	0	0	0	0	107.9	L419 M422 T557 C558 H588 Y589 L591	L419-V580 HydrophobicContact CD2-CG1 3.87Å; M422-V580 HydrophobicContact CB-CG1 4.08Å; M422-V580 HydrophobicContact CG-CG1 3.79Å; M422-V580 HydrophobicContact CG-CG2 4.28Å; T557-V580 WeakPolarHBondContact O-CA 3.35Å; C558-V580 HydrophobicContact CB-CG2 4.05Å; V580-H588 PolarHBondContact O-N 3.44Å; V580-Y589 PolarHBondContact N-O 2.99Å; V580-Y589 PolarHBondContact O-N 3.25Å; V580-L591 HydrophobicContact CG2-CD1 3.97Å; V580-L591 HydrophobicContact CG2-CG 4.16Å
581	A	97.3	Very high	94.1	Very high	10 Å²	10	45.5 Å²	45.5	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.9	-179.1	0	0	0	0	0	111.5	E556 T557 Q586	E556-A581 WeakPolarHBondContact CA-O 3.28Å; E556-A581 WeakPolarHBondContact CB-O 3.22Å; T557-A581 PolarHBondContact N-O 3Å; T557-A581 PolarHBondContact O-N 3.31Å; A581-Q586 CarbonylContact C-O 3.48Å; A581-Q586 WeakPolarHBondContact CA-O 3.44Å; A581-Q586 WeakPolarHBondContact CB-O 3.36Å
582	D	96.8	Very high	95.2	Very high	26 Å²	26	44.9 Å²	44.9	14%	0.139	26%	0.256	C	S	.	.			trans	-76.4	-177.6	173.2	64.2	24.8	0	0	0	112.5	E584 G585 Q586 H588	D582-E584 PolarHBondContact O-N 3.43Å; D582-E584 WeakPolarHBondContact OD1-CA 3.38Å; D582-E584 WeakPolarHBondContact OD1-CB 3.42Å; D582-E584 PolarHBondContact OD1-N 3.45Å; D582-G585 PolarHBondContact O-N 3.22Å; D582-G585 PolarHBondContact OD1-N 2.98Å; D582-G585 VanDerWaalsContact OD1-N 3.12Å; D582-Q586 PolarHBondContact N-O 3.46Å; D582-Q586 PolarHBondContact OD1-N 3.42Å; D582-Q586 WeakPolarHBondContact OD2-CB 3.43Å; D582-H588 IonicContact OD2-CD2 2.79Å; D582-H588 IonicContact OD2-CE1 3.63Å; D582-H588 IonicContact OD2-NE2 2.73Å; D582-H588 PolarHBondContact OD2-NE2 3.05Å
583	S	95.8	Very high	95.8	Very high	80 Å²	80	41 Å²	41	56%	0.559	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.5	178.5	56.5	0	0	0	0	114.5	T554	T554-S583 WeakPolarHBondContact O-CB 3.44Å
584	E	94.9	Very high	96.2	Very high	173 Å²	173	38.8 Å²	38.8	81%	0.808	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.5	176.9	-59.5	-175	-178.9	0	0	111.8	D582 Q586	D582-E584 PolarHBondContact O-N 3.43Å; D582-E584 WeakPolarHBondContact OD1-CA 3.38Å; D582-E584 WeakPolarHBondContact OD1-CB 3.42Å; D582-E584 PolarHBondContact OD1-N 3.45Å; E584-Q586 VanDerWaalsContact C-N 3.34Å
585	G	91.6	Very high	96.4	Very high	55 Å²	55	35.1 Å²	35.1	57%	0.567	21%	0.207	S	C	*	.			trans	82.2	9.4	-176.6	0	0	0	0	0	113.6	D582	D582-G585 PolarHBondContact O-N 3.22Å; D582-G585 PolarHBondContact OD1-N 2.98Å; D582-G585 VanDerWaalsContact OD1-N 3.12Å
586	Q	93.8	Very high	96.4	Very high	113 Å²	113	33.9 Å²	33.9	53%	0.528	20%	0.203	S	C	.	.			trans	-76.5	126.2	175	171	169	85.4	0	0	110	A581 D582 E584 H588	A581-Q586 CarbonylContact C-O 3.48Å; A581-Q586 WeakPolarHBondContact CA-O 3.44Å; A581-Q586 WeakPolarHBondContact CB-O 3.36Å; D582-Q586 PolarHBondContact N-O 3.46Å; D582-Q586 PolarHBondContact OD1-N 3.42Å; D582-Q586 WeakPolarHBondContact OD2-CB 3.43Å; E584-Q586 VanDerWaalsContact C-N 3.34Å; Q586-H588 PolarHBondContact O-CD2 3.09Å
587	A	95.4	Very high	96.4	Very high	17 Å²	17	39 Å²	39	14%	0.14	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.8	179.5	0	0	0	0	0	111.6	V579 I604 Y622	V579-A587 HydrophobicContact CG1-CB 3.58Å; A587-I604 HydrophobicContact CB-CD1 3.62Å; A587-Y622 HydrophobicContact CB-CE1 3.84Å
588	H	96.3	Very high	96.4	Very high	48 Å²	48	41.2 Å²	41.2	22%	0.222	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-30.5	179.3	-74.3	-85.9	0	0	0	113.7	L419 V580 D582 Q586 I604	L419-H588 HydrophobicContact CD1-CB 3.94Å; V580-H588 PolarHBondContact O-N 3.44Å; D582-H588 IonicContact OD2-CD2 2.79Å; D582-H588 IonicContact OD2-CE1 3.63Å; D582-H588 IonicContact OD2-NE2 2.73Å; D582-H588 PolarHBondContact OD2-NE2 3.05Å; Q586-H588 PolarHBondContact O-CD2 3.09Å; H588-I604 WeakPolarHBondContact O-CB 3.44Å; H588-I604 PolarHBondContact O-N 3.19Å
589	Y	97.6	Very high	96.5	Very high	16 Å²	16	41.1 Å²	41.1	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.1	177.8	-63.7	-101.8	0	0	0	111	L419 E420 V579 V580 A602 K603	L419-Y589 HydrophobicContact CB-CD2 4.34Å; L419-Y589 HydrophobicContact CB-CE2 3.93Å; E420-Y589 WeakPolarHBondContact CG-OH 3.45Å; E420-Y589 PolarHBondContact OE1-OH 3.1Å; V579-Y589 WeakPolarHBondContact CA-O 3.41Å; V580-Y589 PolarHBondContact N-O 2.99Å; V580-Y589 PolarHBondContact O-N 3.25Å; Y589-A602 WeakPolarHBondContact CA-O 3.44Å; Y589-K603 HydrophobicContact CD1-CB 3.98Å; Y589-K603 HydrophobicContact CD1-CG 4.33Å; Y589-K603 HydrophobicContact CE1-CB 3.71Å; Y589-K603 HydrophobicContact CE1-CD 4.18Å; Y589-K603 HydrophobicContact CE1-CG 3.86Å
590	I	97.4	Very high	96.6	Very high	7 Å²	7	42 Å²	42	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.5	165.6	-59.3	-59	0	0	0	108.5	F301 T303 G578 V579 S601 A602 I604 Y622 T624	F301-I590 HydrophobicContact CD2-CD1 4.25Å; F301-I590 HydrophobicContact CE2-CD1 3.94Å; F301-I590 HydrophobicContact CE2-CG1 4.36Å; F301-I590 HydrophobicContact CE2-CG2 3.6Å; F301-I590 HydrophobicContact CZ-CD1 4.21Å; F301-I590 HydrophobicContact CZ-CG2 3.97Å; T303-I590 HydrophobicContact CG2-CB 4.22Å; T303-I590 HydrophobicContact CG2-CG1 3.97Å; T303-I590 HydrophobicContact CG2-CG2 3.86Å; G578-I590 WeakPolarHBondContact O-CA 3.36Å; V579-I590 HydrophobicContact CB-CD1 4.39Å; V579-I590 HydrophobicContact CG1-CD1 4.18Å; V579-I590 HydrophobicContact CG2-CD1 3.8Å; I590-S601 CarbonylContact O-C 3.56Å; I590-S601 WeakPolarHBondContact O-CA 3.33Å; I590-A602 PolarHBondContact N-O 3.48Å; I590-A602 PolarHBondContact O-N 2.83Å; I590-I604 HydrophobicContact CD1-CD1 3.76Å; I590-I604 HydrophobicContact CD1-CG1 4.49Å; I590-I604 HydrophobicContact CG1-CD1 3.76Å; I590-I604 HydrophobicContact CG1-CG1 3.94Å; I590-Y622 HydrophobicContact CD1-CD2 3.64Å; I590-Y622 HydrophobicContact CD1-CE2 3.85Å; I590-Y622 HydrophobicContact CD1-CG 4.27Å; I590-Y622 HydrophobicContact CG1-CD2 4.16Å; I590-Y622 HydrophobicContact CG1-CG 4.44Å; I590-T624 HydrophobicContact CG1-CG2 4.39Å
591	L	98.1	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135	173.9	-53.5	-178.2	0	0	0	108.7	C423 A426 L560 T577 G578 V580 M599 E600 S601 L630	C423-L591 HydrophobicContact CB-CD2 4.28Å; A426-L591 HydrophobicContact CB-CD1 3.44Å; A426-L591 VanDerWaalsContact CB-CD1 3.44Å; L560-L591 HydrophobicContact CD2-CB 4.5Å; L560-L591 HydrophobicContact CD2-CD1 3.96Å; T577-L591 CarbonylContact C-O 3.59Å; T577-L591 WeakPolarHBondContact CA-O 3.29Å; G578-L591 PolarHBondContact N-O 3.3Å; G578-L591 PolarHBondContact O-N 2.85Å; V580-L591 HydrophobicContact CG2-CD1 3.97Å; V580-L591 HydrophobicContact CG2-CG 4.16Å; L591-M599 HydrophobicContact CB-CE 3.37Å; L591-E600 WeakPolarHBondContact CA-O 3.49Å; L591-S601 VanDerWaalsContact CD2-CB 3.48Å; L591-L630 HydrophobicContact CD2-CD1 4.1Å
592	S	96.9	Very high	96.5	Very high	55 Å²	55	42.6 Å²	42.6	39%	0.385	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140.9	178.2	-173.7	0	0	0	0	110.9	E600	S592-E600 PolarHBondContact N-O 2.93Å; S592-E600 PolarHBondContact O-N 3.29Å
593	G	97.1	Very high	96.5	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-161.8	179	0	0	0	0	0	113	K575 V576 K598	K575-G593 WeakPolarHBondContact CA-O 3.43Å; V576-G593 PolarHBondContact N-O 2.78Å; V576-G593 PolarHBondContact O-N 3.44Å; G593-K598 CarbonylContact C-O 3.51Å; G593-K598 VanDerWaalsContact CA-O 3.25Å; G593-K598 WeakPolarHBondContact CA-O 3.32Å
594	T	97.2	Very high	96.4	Very high	18 Å²	18	43 Å²	43	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.3	168.7	68.8	0	0	0	0	109	V572 R574 D596 E597 K598	V572-T594 HydrophobicContact CG1-CG2 4.04Å; R574-T594 VanDerWaalsContact O-CA 3.25Å; R574-T594 WeakPolarHBondContact O-CA 3.45Å; R574-T594 WeakPolarHBondContact O-CB 3.43Å; T594-D596 WeakPolarHBondContact CB-OD1 3.39Å; T594-D596 PolarHBondContact O-N 2.9Å; T594-D596 PolarHBondContact OG1-OD1 2.82Å; T594-E597 PolarHBondContact O-N 2.81Å; T594-E597 WeakPolarHBondContact OG1-CB 3.37Å; T594-E597 PolarHBondContact OG1-N 2.8Å; T594-K598 PolarHBondContact N-O 3.49Å; T594-K598 PolarHBondContact O-N 3.08Å; T594-K598 VanDerWaalsContact O-O 3.05Å
595	W	96.9	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.5	-175.6	59.7	-102.7	0	0	0	113.4	V430 Y433 S434 I437 Q543 F562 R574 V576 W631	V430-W595 HydrophobicContact CG1-CB 3.93Å; Y433-W595 WeakPolarHBondContact O-CZ3 3.47Å; S434-W595 WeakPolarHBondContact CA-O 3.02Å; S434-W595 WeakPolarHBondContact CB-O 3.45Å; I437-W595 HydrophobicContact CB-CH2 4.47Å; I437-W595 HydrophobicContact CB-CZ3 4.31Å; I437-W595 HydrophobicContact CD1-CZ3 4.43Å; I437-W595 HydrophobicContact CG1-CE3 4.17Å; I437-W595 HydrophobicContact CG1-CH2 3.83Å; I437-W595 HydrophobicContact CG1-CZ3 3.31Å; Q543-W595 HydrophobicContact CB-CD2 4.28Å; Q543-W595 HydrophobicContact CB-CG 4.46Å; Q543-W595 HydrophobicContact CB-CZ2 4.29Å; Q543-W595 HydrophobicContact CG-CD2 3.86Å; Q543-W595 HydrophobicContact CG-CE3 4.07Å; Q543-W595 HydrophobicContact CG-CG 4.46Å; Q543-W595 HydrophobicContact CG-CH2 4.01Å; Q543-W595 HydrophobicContact CG-CZ2 3.78Å; Q543-W595 HydrophobicContact CG-CZ3 4.11Å; F562-W595 HydrophobicContact CD1-CB 4.35Å; F562-W595 AromaticContact CD1-CD1 3.88Å; F562-W595 HydrophobicContact CD1-CG 4.31Å; F562-W595 HydrophobicContact CE1-CB 3.87Å; F562-W595 HydrophobicContact CE1-CG 4.25Å; R574-W595 HydrophobicContact CB-CD2 4.28Å; R574-W595 HydrophobicContact CB-CG 4.31Å; R574-W595 HydrophobicContact CB-CZ2 4.12Å; R574-W595 VanDerWaalsContact CB-NE1 3.27Å; R574-W595 VanDerWaalsContact CD-CZ2 3.45Å; R574-W595 HydrophobicContact CG-CH2 4.49Å; R574-W595 HydrophobicContact CG-CZ2 3.53Å; R574-W595 PolarHBondContact O-N 2.89Å; R574-W595 VanDerWaalsContact O-N 3.16Å; V576-W595 HydrophobicContact CG2-CB 3.84Å; V576-W595 HydrophobicContact CG2-CG 4.32Å; W595-W631 WeakPolarHBondContact O-CH2 3.35Å
596	D	95.5	Very high	95.9	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.15	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-10.6	179.7	68	-34.5	0	0	0	115.3	I437 R574 T594 K633	I437-D596 HydrophobicContact CD1-CB 3.35Å; I437-D596 HydrophobicContact CG1-CB 3.68Å; R574-D596 WeakPolarHBondContact CD-OD2 3.48Å; R574-D596 IonicContact CZ-OD2 3.16Å; R574-D596 IonicContact NE-OD2 2.67Å; R574-D596 IonicContact NH1-OD2 2.86Å; R574-D596 PolarHBondContact NH1-OD2 3.2Å; T594-D596 WeakPolarHBondContact CB-OD1 3.39Å; T594-D596 PolarHBondContact O-N 2.9Å; T594-D596 PolarHBondContact OG1-OD1 2.82Å; D596-K633 WeakPolarHBondContact O-CD 3.42Å
597	E	96.3	Very high	95.4	Very high	108 Å²	108	40.5 Å²	40.5	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-57.5	-173.6	-166.1	-176.4	160.1	0	0	113.8	T594 K632 K633	T594-E597 PolarHBondContact O-N 2.81Å; T594-E597 WeakPolarHBondContact OG1-CB 3.37Å; T594-E597 PolarHBondContact OG1-N 2.8Å; E597-K632 WeakPolarHBondContact O-CA 3.41Å; E597-K633 WeakPolarHBondContact O-CB 3.3Å; E597-K633 PolarHBondContact O-N 2.83Å
598	K	97.8	Very high	94.6	Very high	69 Å²	69	42.8 Å²	42.8	30%	0.3	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	161.3	-173.2	61.7	172.7	-177	163.8	0	113.4	G593 T594 E600 L629 W631 K632	G593-K598 CarbonylContact C-O 3.51Å; G593-K598 VanDerWaalsContact CA-O 3.25Å; G593-K598 WeakPolarHBondContact CA-O 3.32Å; T594-K598 PolarHBondContact N-O 3.49Å; T594-K598 PolarHBondContact O-N 3.08Å; T594-K598 VanDerWaalsContact O-O 3.05Å; K598-E600 WeakPolarHBondContact CE-OE1 3.35Å; K598-E600 IonicContact NZ-OE1 2.81Å; K598-E600 PolarHBondContact NZ-OE1 3.35Å; K598-L629 HydrophobicContact CB-CD1 4Å; K598-L629 HydrophobicContact CD-CD1 4.2Å; K598-W631 CarbonylContact C-O 3.48Å; K598-W631 WeakPolarHBondContact CA-O 3.47Å; K598-W631 VanDerWaalsContact CB-O 3.32Å; K598-W631 WeakPolarHBondContact CB-O 3.34Å; K598-K632 HydrophobicContact CB-CB 4.48Å; K598-K632 HydrophobicContact CB-CG 4.5Å
599	M	98.3	Very high	93.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.9	172.3	-160	70.5	-168.4	0	0	110.7	A427 V430 L560 V576 L591 L630 W631	A427-M599 HydrophobicContact CB-CB 4.44Å; V430-M599 HydrophobicContact CG1-SD 4.32Å; V430-M599 HydrophobicContact CG2-SD 4.4Å; L560-M599 HydrophobicContact CD2-CE 4.29Å; V576-M599 HydrophobicContact CG1-CE 4.28Å; L591-M599 HydrophobicContact CB-CE 3.37Å; M599-L630 PolarHBondContact O-N 3.41Å; M599-W631 HydrophobicContact CB-CB 4.3Å; M599-W631 HydrophobicContact CB-CE3 3.9Å; M599-W631 PolarHBondContact N-O 2.86Å; M599-W631 PolarHBondContact O-N 2.86Å; M599-W631 VanDerWaalsContact O-N 3.14Å
600	E	98.3	Very high	91.3	Very high	46 Å²	46	48.1 Å²	48.1	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.1	179.6	-63.4	172.3	171.8	0	0	110.6	L591 S592 K598 P627 K628 L629	L591-E600 WeakPolarHBondContact CA-O 3.49Å; S592-E600 PolarHBondContact N-O 2.93Å; S592-E600 PolarHBondContact O-N 3.29Å; K598-E600 WeakPolarHBondContact CE-OE1 3.35Å; K598-E600 IonicContact NZ-OE1 2.81Å; K598-E600 PolarHBondContact NZ-OE1 3.35Å; E600-P627 HydrophobicContact CB-CB 4.18Å; E600-K628 CarbonylContact C-O 2.94Å; E600-K628 VanDerWaalsContact CA-O 3.26Å; E600-K628 WeakPolarHBondContact CA-O 3.37Å; E600-L629 HydrophobicContact CG-CD1 3.97Å
601	S	97.9	Very high	88.8	Confident	11 Å²	11	53.6 Å²	53.6	8%	0.077	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.4	172.8	60.6	0	0	0	0	111.7	I590 L591 P627 K628 L630	I590-S601 CarbonylContact O-C 3.56Å; I590-S601 WeakPolarHBondContact O-CA 3.33Å; L591-S601 VanDerWaalsContact CD2-CB 3.48Å; S601-P627 WeakPolarHBondContact O-CA 3.31Å; S601-K628 PolarHBondContact N-O 3.14Å; S601-K628 PolarHBondContact O-N 3.17Å; S601-L630 WeakPolarHBondContact OG-CD2 3.48Å
602	A	97.3	Very high	86.3	Confident	11 Å²	11	58.4 Å²	58.4	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.3	173.5	0	0	0	0	0	109.6	Y589 I590 T624 P627	Y589-A602 WeakPolarHBondContact CA-O 3.44Å; I590-A602 PolarHBondContact N-O 3.48Å; I590-A602 PolarHBondContact O-N 2.83Å; A602-T624 HydrophobicContact CB-CG2 4.13Å; A602-P627 HydrophobicContact CB-CB 4.38Å
603	K	96.2	Very high	84	Confident	95 Å²	95	58.4 Å²	58.4	41%	0.413	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.2	178.9	-172.8	172.8	-173.2	167.8	0	110.2	Y589 T624 L625	Y589-K603 HydrophobicContact CD1-CB 3.98Å; Y589-K603 HydrophobicContact CD1-CG 4.33Å; Y589-K603 HydrophobicContact CE1-CB 3.71Å; Y589-K603 HydrophobicContact CE1-CD 4.18Å; Y589-K603 HydrophobicContact CE1-CG 3.86Å; K603-T624 CarbonylContact O-C 3.23Å; K603-T624 WeakPolarHBondContact O-CA 3.45Å; K603-T624 WeakPolarHBondContact O-CB 3.33Å; K603-L625 HydrophobicContact CB-CB 4.43Å; K603-L625 HydrophobicContact CB-CD1 4.18Å; K603-L625 HydrophobicContact CD-CD1 4.31Å; K603-L625 PolarHBondContact O-N 3.43Å
604	I	94.6	Very high	81.7	Confident	20 Å²	20	64.2 Å²	64.2	10%	0.103	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.7	179.9	-56.7	175.6	0	0	0	109	A587 H588 I590 Y622 T624	A587-I604 HydrophobicContact CB-CD1 3.62Å; H588-I604 WeakPolarHBondContact O-CB 3.44Å; H588-I604 PolarHBondContact O-N 3.19Å; I590-I604 HydrophobicContact CD1-CD1 3.76Å; I590-I604 HydrophobicContact CD1-CG1 4.49Å; I590-I604 HydrophobicContact CG1-CD1 3.76Å; I590-I604 HydrophobicContact CG1-CG1 3.94Å; I604-Y622 HydrophobicContact CD1-CD1 3.72Å; I604-Y622 HydrophobicContact CD1-CE1 4.02Å; I604-Y622 HydrophobicContact CD1-CG 4Å; I604-Y622 HydrophobicContact CG1-CD1 4.41Å; I604-Y622 HydrophobicContact CG2-CD1 3.86Å; I604-T624 HydrophobicContact CG1-CG2 4.12Å
605	I	91.1	Very high	79.5	Confident	94 Å²	94	72 Å²	72	48%	0.482	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-43.5	176.7	-52.6	172.8	0	0	0	109.5	A306 Q623 L625	A306-I605 HydrophobicContact CB-CD1 3.95Å; I605-Q623 PolarHBondContact N-O 2.85Å; I605-L625 HydrophobicContact CD1-CD2 3.58Å; I605-L625 HydrophobicContact CD1-CG 3.82Å; I605-L625 HydrophobicContact CG1-CD2 4.2Å; I605-L625 HydrophobicContact CG1-CG 3.92Å
606	Q	84.9	Confident	77	Confident	123 Å²	123	75.6 Å²	75.6	58%	0.575	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.2	-176.8	-163.2	168.4	20.9	0	0	110	Q623	Q606-Q623 HydrophobicContact CB-CB 4.32Å; Q606-Q623 PolarHBondContact N-O 3.18Å; Q606-Q623 PolarHBondContact O-N 3.47Å
607	S	83.3	Confident	74.9	Confident	71 Å²	71	79.6 Å²	79.6	50%	0.497	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	170.8	55.8	0	0	0	0	109.4
608	S	77.4	Confident	73	Confident	64 Å²	64	80.8 Å²	80.8	45%	0.448	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.9	170.5	57.5	0	0	0	0	109.9	G610 V621	S608-G610 PolarHBondContact O-N 2.9Å; S608-V621 PolarHBondContact N-O 3.46Å; S608-V621 PolarHBondContact O-N 3.31Å; S608-V621 PolarHBondContact OG-O 2.86Å
609	E	68.9	Low	71.5	Confident	155 Å²	155	81.4 Å²	81.4	72%	0.724	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	118.8	169.6	-66.7	179.3	176.7	0	0	108.5
610	G	55.7	Low	70.6	Confident	22 Å²	22	82.8 Å²	82.8	23%	0.227	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-66.1	135	-180	0	0	0	0	0	111.5	S608 S612 K619	S608-G610 PolarHBondContact O-N 2.9Å; G610-S612 PolarHBondContact O-N 2.95Å; G610-K619 WeakPolarHBondContact CA-O 3.4Å; G610-K619 PolarHBondContact N-O 2.95Å
611	S	45.3	Very low	69.8	Low	122 Å²	122	82.2 Å²	82.2	85%	0.853	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-57.2	129.4	172.1	-42.1	0	0	0	0	110.1	G613	S611-G613 PolarHBondContact O-N 3.43Å
612	S	45.5	Very low	69.3	Low	101 Å²	101	83.2 Å²	83.2	71%	0.706	49%	0.487	S	S	*	.			trans	-47.1	108.9	179	50.5	0	0	0	0	112.7	G610	G610-S612 PolarHBondContact O-N 2.95Å
613	G	49.3	Very low	68.9	Low	54 Å²	54	86.3 Å²	86.3	56%	0.557	50%	0.5	S	S	*	.			trans	-68.7	161.5	157.5	0	0	0	0	0	109.9	S611 E615 G616	S611-G613 PolarHBondContact O-N 3.43Å; G613-E615 PolarHBondContact O-N 2.88Å; G613-G616 PolarHBondContact O-N 2.8Å
614	S	47.3	Very low	68.8	Low	134 Å²	134	81.9 Å²	81.9	94%	0.937	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	13.2	-173	46.5	0	0	0	0	116.8
615	E	51.3	Low	68.7	Low	183 Å²	183	84.8 Å²	84.8	86%	0.855	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	27.1	-177.4	-68.6	-170.6	156.9	0	0	114.2	G613 K617	G613-E615 PolarHBondContact O-N 2.88Å; E615-K617 PolarHBondContact O-N 3.39Å
616	G	44.4	Very low	68.9	Low	76 Å²	76	84 Å²	84	78%	0.784	50%	0.497	S	S	*	.	S	Bend	trans	68.3	-2.4	155.6	0	0	0	0	0	118.9	G613	G613-G616 PolarHBondContact O-N 2.8Å
617	K	52.6	Low	69.4	Low	111 Å²	111	81.5 Å²	81.5	48%	0.483	49%	0.492	S	S	.	.			trans	-104	114.7	172	-67.7	-178.3	-173.8	170.5	0	110.7	D296 E615 K619	D296-K617 PolarHBondContact O-NZ 2.97Å; E615-K617 PolarHBondContact O-N 3.39Å; K617-K619 PolarHBondContact O-N 2.97Å
618	Q	54.8	Low	70	Confident	134 Å²	134	84.1 Å²	84.1	63%	0.626	49%	0.494	S	S	*	.			trans	-67.7	114.9	171.4	-72.9	-176.8	-29.4	0	0	108.9
619	K	66.9	Low	71	Confident	82 Å²	82	85.5 Å²	85.5	36%	0.357	50%	0.496	S	S	.	.			trans	-92.8	126.3	173.1	-62.6	-166.8	-167.3	-168.6	0	109.5	E300 I302 G610 K617	E300-K619 HydrophobicContact CB-CD 3.95Å; E300-K619 HydrophobicContact CB-CG 4.14Å; E300-K619 VanDerWaalsContact O-CA 3.28Å; E300-K619 WeakPolarHBondContact O-CA 3.17Å; E300-K619 VanDerWaalsContact O-CB 3.29Å; E300-K619 WeakPolarHBondContact O-CB 3.24Å; E300-K619 WeakPolarHBondContact O-CG 3.49Å; E300-K619 WeakPolarHBondContact OE2-CE 3.35Å; E300-K619 IonicContact OE2-NZ 3.15Å; E300-K619 PolarHBondContact OE2-NZ 3.43Å; I302-K619 HydrophobicContact CD1-CD 4.21Å; I302-K619 HydrophobicContact CG1-CD 4.47Å; G610-K619 WeakPolarHBondContact CA-O 3.4Å; G610-K619 PolarHBondContact N-O 2.95Å; K617-K619 PolarHBondContact O-N 2.97Å
620	T	78.9	Confident	72.4	Confident	30 Å²	30	79.3 Å²	79.3	18%	0.184	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.8	175.4	-57.8	0	0	0	0	109	F301 I302 Y622	F301-T620 CarbonylContact C-O 3.52Å; F301-T620 WeakPolarHBondContact CA-O 3.37Å; F301-T620 VanDerWaalsContact CB-O 3.28Å; F301-T620 WeakPolarHBondContact CB-O 3.4Å; I302-T620 PolarHBondContact N-O 2.88Å; T620-Y622 HydrophobicContact CG2-CD1 4.22Å; T620-Y622 HydrophobicContact CG2-CD2 4.41Å; T620-Y622 HydrophobicContact CG2-CE1 3.68Å; T620-Y622 HydrophobicContact CG2-CE2 3.9Å
621	V	82.1	Confident	74.5	Confident	34 Å²	34	78.6 Å²	78.6	21%	0.206	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.1	177.1	-174.6	0	0	0	0	108.7	I302 V304 S608	I302-V621 HydrophobicContact CB-CG1 4.49Å; I302-V621 HydrophobicContact CB-CG2 4.32Å; I302-V621 CarbonylContact O-C 3.6Å; I302-V621 WeakPolarHBondContact O-CA 3.14Å; V304-V621 HydrophobicContact CG2-CG1 3.97Å; S608-V621 PolarHBondContact N-O 3.46Å; S608-V621 PolarHBondContact O-N 3.31Å; S608-V621 PolarHBondContact OG-O 2.86Å
622	Y	87.9	Confident	77	Confident	32 Å²	32	78.9 Å²	78.9	13%	0.125	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.8	176.7	-64.6	-64.2	0	0	0	110.3	F301 I302 T303 V304 A587 I590 I604 T620	F301-Y622 HydrophobicContact CB-CD2 3.84Å; F301-Y622 HydrophobicContact CB-CE2 3.7Å; F301-Y622 AromaticContact CD2-CD2 3.91Å; F301-Y622 HydrophobicContact CD2-CD2 3.91Å; F301-Y622 HydrophobicContact CD2-CE2 4.25Å; F301-Y622 HydrophobicContact CG-CD2 4.02Å; F301-Y622 AromaticContact CG-CE2 3.93Å; F301-Y622 HydrophobicContact CG-CE2 3.93Å; I302-Y622 PolarHBondContact O-N 3.44Å; T303-Y622 CarbonylContact C-O 3.54Å; T303-Y622 WeakPolarHBondContact CA-O 3.43Å; V304-Y622 PolarHBondContact N-O 3.33Å; A587-Y622 HydrophobicContact CB-CE1 3.84Å; I590-Y622 HydrophobicContact CD1-CD2 3.64Å; I590-Y622 HydrophobicContact CD1-CE2 3.85Å; I590-Y622 HydrophobicContact CD1-CG 4.27Å; I590-Y622 HydrophobicContact CG1-CD2 4.16Å; I590-Y622 HydrophobicContact CG1-CG 4.44Å; I604-Y622 HydrophobicContact CD1-CD1 3.72Å; I604-Y622 HydrophobicContact CD1-CE1 4.02Å; I604-Y622 HydrophobicContact CD1-CG 4Å; I604-Y622 HydrophobicContact CG1-CD1 4.41Å; I604-Y622 HydrophobicContact CG2-CD1 3.86Å; T620-Y622 HydrophobicContact CG2-CD1 4.22Å; T620-Y622 HydrophobicContact CG2-CD2 4.41Å; T620-Y622 HydrophobicContact CG2-CE1 3.68Å; T620-Y622 HydrophobicContact CG2-CE2 3.9Å
623	Q	89.3	Confident	79.5	Confident	75 Å²	75	76.2 Å²	76.2	35%	0.35	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125	166.7	-172.5	172.4	-2.6	0	0	109	V304 A306 I605 Q606	V304-Q623 CarbonylContact O-C 3.59Å; V304-Q623 VanDerWaalsContact O-CA 3.29Å; V304-Q623 WeakPolarHBondContact O-CA 3.4Å; A306-Q623 HydrophobicContact CB-CG 4.08Å; I605-Q623 PolarHBondContact N-O 2.85Å; Q606-Q623 HydrophobicContact CB-CB 4.32Å; Q606-Q623 PolarHBondContact N-O 3.18Å; Q606-Q623 PolarHBondContact O-N 3.47Å
624	T	92.9	Very high	81.7	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.012	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.7	-171.7	59.5	0	0	0	0	112.7	T303 V304 T305 A306 I590 A602 K603 I604	T303-T624 HydrophobicContact CG2-CG2 4.42Å; V304-T624 PolarHBondContact O-N 2.75Å; T305-T624 WeakPolarHBondContact CA-O 3.37Å; A306-T624 PolarHBondContact N-O 2.85Å; I590-T624 HydrophobicContact CG1-CG2 4.39Å; A602-T624 HydrophobicContact CB-CG2 4.13Å; K603-T624 CarbonylContact O-C 3.23Å; K603-T624 WeakPolarHBondContact O-CA 3.45Å; K603-T624 WeakPolarHBondContact O-CB 3.33Å; I604-T624 HydrophobicContact CG1-CG2 4.12Å
625	L	93.4	Very high	84	Confident	81 Å²	81	77 Å²	77	42%	0.424	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-69.2	163.6	162.1	-70.7	178.3	0	0	0	110.7	K603 I605	K603-L625 HydrophobicContact CB-CB 4.43Å; K603-L625 HydrophobicContact CB-CD1 4.18Å; K603-L625 HydrophobicContact CD-CD1 4.31Å; K603-L625 PolarHBondContact O-N 3.43Å; I605-L625 HydrophobicContact CD1-CD2 3.58Å; I605-L625 HydrophobicContact CD1-CG 3.82Å; I605-L625 HydrophobicContact CG1-CD2 4.2Å; I605-L625 HydrophobicContact CG1-CG 3.92Å
626	P	94.5	Very high	86.1	Confident	79 Å²	79	71 Å²	71	51%	0.513	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-50.8	139.3	173.4	-27.7	35.9	0	0	0	112.3	T305	T305-P626 HydrophobicContact CG2-CG 4.34Å
627	P	95.4	Very high	88.5	Confident	70 Å²	70	68.8 Å²	68.8	46%	0.455	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-66	137.2	-179.3	26.6	-33.4	0	0	0	111.3	E600 S601 A602	E600-P627 HydrophobicContact CB-CB 4.18Å; S601-P627 WeakPolarHBondContact O-CA 3.31Å; A602-P627 HydrophobicContact CB-CB 4.38Å
628	K	96.8	Very high	90.5	Very high	126 Å²	126	72 Å²	72	55%	0.548	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.6	173.3	-177.1	176	-179	173.8	0	109.8	E600 S601 L630	E600-K628 CarbonylContact C-O 2.94Å; E600-K628 VanDerWaalsContact CA-O 3.26Å; E600-K628 WeakPolarHBondContact CA-O 3.37Å; S601-K628 PolarHBondContact N-O 3.14Å; S601-K628 PolarHBondContact O-N 3.17Å; K628-L630 PolarHBondContact O-N 3Å
629	L	98.3	Very high	92.3	Very high	92 Å²	92	68.5 Å²	68.5	48%	0.482	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.8	175.1	-174.7	69.1	0	0	0	110.4	K598 E600 W631 K632	K598-L629 HydrophobicContact CB-CD1 4Å; K598-L629 HydrophobicContact CD-CD1 4.2Å; E600-L629 HydrophobicContact CG-CD1 3.97Å; L629-W631 WeakPolarHBondContact CD1-O 3.24Å; L629-K632 HydrophobicContact CD2-CB 4.3Å
630	L	98.3	Very high	93.6	Very high	25 Å²	25	64.7 Å²	64.7	13%	0.131	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-44.4	175.3	-63.8	-177.1	0	0	0	111.6	L408 C423 L424 A427 L591 M599 S601 K628	L408-L630 VanDerWaalsContact CD2-O 3.32Å; L408-L630 WeakPolarHBondContact CD2-O 3.29Å; C423-L630 HydrophobicContact CB-CD1 3.99Å; C423-L630 WeakPolarHBondContact O-CD1 3.47Å; L424-L630 HydrophobicContact CD2-CD2 4.18Å; A427-L630 HydrophobicContact CB-CB 3.82Å; A427-L630 HydrophobicContact CB-CD1 4.04Å; L591-L630 HydrophobicContact CD2-CD1 4.1Å; M599-L630 PolarHBondContact O-N 3.41Å; S601-L630 WeakPolarHBondContact OG-CD2 3.48Å; K628-L630 PolarHBondContact O-N 3Å
631	W	98.5	Very high	94.2	Very high	8 Å²	8	67.6 Å²	67.6	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.7	-174.6	165.8	74.9	0	0	0	110.7	Y405 L408 A427 V430 S431 S434 W595 K598 M599 L629 K633	Y405-W631 AromaticContact CD1-CD1 3.48Å; Y405-W631 VanDerWaalsContact CD1-CD1 3.48Å; Y405-W631 AromaticContact CD1-NE1 3.16Å; Y405-W631 AromaticContact CD2-NE1 3.58Å; Y405-W631 AromaticContact CE1-CD1 3.81Å; Y405-W631 AromaticContact CE1-NE1 3.07Å; Y405-W631 HydrophobicContact CE2-CZ2 4.2Å; Y405-W631 AromaticContact CE2-NE1 3.53Å; Y405-W631 AromaticContact CG-CD1 3.77Å; Y405-W631 AromaticContact CG-NE1 3.41Å; Y405-W631 AromaticContact CZ-NE1 3.29Å; Y405-W631 VanDerWaalsContact CZ-NE1 3.29Å; L408-W631 HydrophobicContact CD1-CB 4.13Å; L408-W631 HydrophobicContact CD1-CG 4.26Å; L408-W631 HydrophobicContact CD2-CB 4.37Å; A427-W631 HydrophobicContact CB-CB 4.16Å; V430-W631 HydrophobicContact CG1-CZ3 4.4Å; S431-W631 VanDerWaalsContact CB-CE2 3.49Å; S434-W631 VanDerWaalsContact CB-CZ2 3.49Å; W595-W631 WeakPolarHBondContact O-CH2 3.35Å; K598-W631 CarbonylContact C-O 3.48Å; K598-W631 WeakPolarHBondContact CA-O 3.47Å; K598-W631 VanDerWaalsContact CB-O 3.32Å; K598-W631 WeakPolarHBondContact CB-O 3.34Å; M599-W631 HydrophobicContact CB-CB 4.3Å; M599-W631 HydrophobicContact CB-CE3 3.9Å; M599-W631 PolarHBondContact N-O 2.86Å; M599-W631 PolarHBondContact O-N 2.86Å; M599-W631 VanDerWaalsContact O-N 3.14Å; L629-W631 WeakPolarHBondContact CD1-O 3.24Å; W631-K633 HydrophobicContact CH2-CB 4.22Å; W631-K633 HydrophobicContact CZ2-CB 3.85Å; W631-K633 HydrophobicContact CZ2-CG 4.48Å
632	K	98.2	Very high	94.6	Very high	127 Å²	127	68.8 Å²	68.8	55%	0.552	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.1	171.2	-174.9	174.1	-177.8	177.6	0	109	E597 K598 L629	E597-K632 WeakPolarHBondContact O-CA 3.41Å; K598-K632 HydrophobicContact CB-CB 4.48Å; K598-K632 HydrophobicContact CB-CG 4.5Å; L629-K632 HydrophobicContact CD2-CB 4.3Å
633	K	97.5	Very high	94.9	Very high	45 Å²	45	67.3 Å²	67.3	20%	0.196	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-62.3	136.3	-179.9	-174.8	-176.6	166.5	176.4	0	111.2	Y405 S434 I437 D596 E597 W631	Y405-K633 WeakPolarHBondContact OH-CA 3.33Å; Y405-K633 WeakPolarHBondContact OH-CG 3.28Å; S434-K633 PolarHBondContact O-NZ 3.14Å; I437-K633 HydrophobicContact CD1-CD 4.28Å; D596-K633 WeakPolarHBondContact O-CD 3.42Å; E597-K633 WeakPolarHBondContact O-CB 3.3Å; E597-K633 PolarHBondContact O-N 2.83Å; W631-K633 HydrophobicContact CH2-CB 4.22Å; W631-K633 HydrophobicContact CZ2-CB 3.85Å; W631-K633 HydrophobicContact CZ2-CG 4.48Å
634	Y	96.5	Very high	95.1	Very high	90 Å²	90	65 Å²	65	35%	0.353	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-67.5	142.9	171.3	-60.5	-43	0	0	0	111.4	E404 Y405	E404-Y634 HydrophobicContact CG-CD2 4.12Å; E404-Y634 HydrophobicContact CG-CE2 4.28Å; Y405-Y634 HydrophobicContact CD1-CD2 4.06Å; Y405-Y634 HydrophobicContact CD1-CE1 4.36Å; Y405-Y634 AromaticContact CD1-CE2 3.49Å; Y405-Y634 HydrophobicContact CD1-CE2 3.49Å; Y405-Y634 VanDerWaalsContact CD1-CE2 3.49Å; Y405-Y634 AromaticContact CD1-CZ 3.67Å; Y405-Y634 HydrophobicContact CE1-CD1 4.1Å; Y405-Y634 AromaticContact CE1-CD2 3.37Å; Y405-Y634 HydrophobicContact CE1-CD2 3.37Å; Y405-Y634 HydrophobicContact CE1-CE1 4.06Å; Y405-Y634 AromaticContact CE1-CE2 3.31Å; Y405-Y634 HydrophobicContact CE1-CE2 3.31Å; Y405-Y634 AromaticContact CE1-CG 3.76Å; Y405-Y634 HydrophobicContact CE1-CG 3.76Å; Y405-Y634 AromaticContact CE1-CZ 3.67Å; Y405-Y634 HydrophobicContact CG-CE2 4.42Å; Y405-Y634 AromaticContact CZ-CD2 3.81Å; Y405-Y634 PolarHBondContact OH-N 2.69Å
635	P	95.5	Very high	95.3	Very high	114 Å²	114	67.7 Å²	67.7	74%	0.74	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-61.3	141.6	172.1	27.9	-33.7	0	0	0	109.7
636	L	95.6	Very high	95.5	Very high	59 Å²	59	63.9 Å²	63.9	31%	0.309	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-69.2	149.7	171.8	-70.8	175.4	0	0	0	109.9	A640 Y645	L636-A640 HydrophobicContact CB-CB 3.9Å; L636-A640 HydrophobicContact CD1-CB 4.33Å; L636-Y645 HydrophobicContact CD1-CD1 4.14Å
637	P	95	Very high	95.6	Very high	29 Å²	29	60.7 Å²	60.7	19%	0.188	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-54.1	153.8	170.2	-24	33.5	0	0	0	112.1	A640 M643 F646 L651	P637-A640 VanDerWaalsContact O-CB 3.26Å; P637-A640 WeakPolarHBondContact O-CB 3.5Å; P637-A640 PolarHBondContact O-N 3.49Å; P637-M643 HydrophobicContact CB-CE 4.4Å; P637-F646 WeakPolarHBondContact CD-O 3.38Å; P637-L651 HydrophobicContact CB-CD1 4.24Å; P637-L651 HydrophobicContact CG-CD1 3.67Å
638	E	93.3	Very high	95.6	Very high	179 Å²	179	60.8 Å²	60.8	84%	0.836	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	142.6	168.6	-64.6	-178	-179.7	0	0	109.8	A640 M643	E638-A640 PolarHBondContact O-N 2.77Å; E638-M643 VanDerWaalsContact O-CE 3.23Å; E638-M643 WeakPolarHBondContact O-CE 3.28Å
639	N	92.8	Very high	95.6	Very high	59 Å²	59	55.8 Å²	55.8	32%	0.316	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	18.8	-178.8	-164.7	46.7	0	0	0	114.8	D360 E641 N642 M643	D360-N639 PolarHBondContact OD1-ND2 3.34Å; N639-E641 PolarHBondContact O-N 2.98Å; N639-E641 VanDerWaalsContact O-N 3.14Å; N639-N642 PolarHBondContact O-N 3.17Å; N639-N642 PolarHBondContact OD1-ND2 3.12Å; N639-M643 HydrophobicContact CB-CE 4.34Å; N639-M643 PolarHBondContact O-N 3.34Å
640	A	94.1	Very high	95.6	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56	-31.8	-179.5	0	0	0	0	0	113.3	L636 P637 E638 N642 M643 Y644 Y645	L636-A640 HydrophobicContact CB-CB 3.9Å; L636-A640 HydrophobicContact CD1-CB 4.33Å; P637-A640 VanDerWaalsContact O-CB 3.26Å; P637-A640 WeakPolarHBondContact O-CB 3.5Å; P637-A640 PolarHBondContact O-N 3.49Å; E638-A640 PolarHBondContact O-N 2.77Å; A640-N642 PolarHBondContact O-N 2.94Å; A640-M643 CarbonylContact O-C 3.54Å; A640-M643 VanDerWaalsContact O-C 3.23Å; A640-M643 WeakPolarHBondContact O-CA 3.38Å; A640-M643 PolarHBondContact O-N 3.21Å; A640-Y644 PolarHBondContact O-N 2.94Å; A640-Y645 HydrophobicContact CB-CD1 4.48Å; A640-Y645 WeakPolarHBondContact O-CA 3.38Å; A640-Y645 PolarHBondContact O-N 2.84Å
641	E	91.7	Very high	95.6	Very high	91 Å²	91	50.3 Å²	50.3	43%	0.425	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.6	-29.4	176.2	61.9	-88.5	-150.8	0	0	114.1	K361 N639 Y645	K361-E641 WeakPolarHBondContact CE-O 3.46Å; N639-E641 PolarHBondContact O-N 2.98Å; N639-E641 VanDerWaalsContact O-N 3.14Å; E641-Y645 HydrophobicContact CB-CD1 4.42Å; E641-Y645 HydrophobicContact CB-CE1 3.62Å; E641-Y645 HydrophobicContact CB-CE2 4.23Å; E641-Y645 WeakPolarHBondContact CB-OH 3.48Å
642	N	91.9	Very high	95.5	Very high	58 Å²	58	50.5 Å²	50.5	31%	0.31	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-90.9	-14.3	175.7	-67.6	-30.3	0	0	0	111.7	D360 K361 N639 A640	D360-N642 HydrophobicContact CB-CB 4.27Å; D360-N642 WeakPolarHBondContact OD1-CB 3.39Å; K361-N642 VanDerWaalsContact CB-O 3.32Å; K361-N642 WeakPolarHBondContact CB-O 3.35Å; K361-N642 WeakPolarHBondContact CG-O 3.37Å; K361-N642 PolarHBondContact N-O 3Å; N639-N642 PolarHBondContact O-N 3.17Å; N639-N642 PolarHBondContact OD1-ND2 3.12Å; A640-N642 PolarHBondContact O-N 2.94Å
643	M	94.4	Very high	95.5	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	44.8	175.9	-60.5	-178.9	-69.7	0	0	111.7	Q357 I358 P637 E638 N639 A640 Y645 F646 L651	Q357-M643 HydrophobicContact CB-SD 3.95Å; Q357-M643 HydrophobicContact CG-SD 4.14Å; I358-M643 HydrophobicContact CD1-CB 4.25Å; I358-M643 HydrophobicContact CG1-CB 3.87Å; I358-M643 HydrophobicContact CG1-CG 3.84Å; I358-M643 HydrophobicContact CG1-SD 4.21Å; P637-M643 HydrophobicContact CB-CE 4.4Å; E638-M643 VanDerWaalsContact O-CE 3.23Å; E638-M643 WeakPolarHBondContact O-CE 3.28Å; N639-M643 HydrophobicContact CB-CE 4.34Å; N639-M643 PolarHBondContact O-N 3.34Å; A640-M643 CarbonylContact O-C 3.54Å; A640-M643 VanDerWaalsContact O-C 3.23Å; A640-M643 WeakPolarHBondContact O-CA 3.38Å; A640-M643 PolarHBondContact O-N 3.21Å; M643-Y645 PolarHBondContact O-N 2.85Å; M643-F646 WeakPolarHBondContact O-CB 3.23Å; M643-F646 WeakPolarHBondContact O-CG 3.08Å; M643-F646 PolarHBondContact O-N 3.27Å; M643-L651 HydrophobicContact CB-CD2 4.33Å; M643-L651 HydrophobicContact SD-CD2 4.02Å
644	Y	93.6	Very high	95.5	Very high	26 Å²	26	42.3 Å²	42.3	10%	0.102	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	22.9	177	-56.2	-93.9	0	0	0	114.9	I358 K361 E391 P392 R439 A640 F646 M674 W679	I358-Y644 HydrophobicContact CD1-CD2 4.07Å; I358-Y644 HydrophobicContact CD1-CE2 4.44Å; K361-Y644 HydrophobicContact CB-CD1 4.38Å; K361-Y644 HydrophobicContact CB-CD2 4.11Å; K361-Y644 HydrophobicContact CB-CE1 3.84Å; K361-Y644 HydrophobicContact CB-CE2 3.52Å; K361-Y644 HydrophobicContact CB-CG 4.48Å; K361-Y644 WeakPolarHBondContact CB-OH 3.23Å; K361-Y644 HydrophobicContact CD-CD1 4.22Å; K361-Y644 HydrophobicContact CD-CE1 4.32Å; K361-Y644 HydrophobicContact CD-CG 4.44Å; E391-Y644 HydrophobicContact CB-CD1 4.04Å; E391-Y644 HydrophobicContact CB-CG 4.43Å; P392-Y644 HydrophobicContact CG-CD2 4.09Å; P392-Y644 HydrophobicContact CG-CE2 3.89Å; R439-Y644 WeakPolarHBondContact CG-O 3.43Å; A640-Y644 PolarHBondContact O-N 2.94Å; Y644-F646 VanDerWaalsContact CB-CE1 3.44Å; Y644-F646 HydrophobicContact CD2-CZ 4.47Å; Y644-F646 HydrophobicContact CG-CE1 4.27Å; Y644-F646 HydrophobicContact CG-CZ 4.4Å; Y644-F646 PolarHBondContact O-N 3.41Å; Y644-M674 HydrophobicContact CE1-CE 4.03Å; Y644-W679 WeakPolarHBondContact OH-CH2 3.39Å; Y644-W679 WeakPolarHBondContact OH-CZ2 3.43Å
645	Y	95.4	Very high	95.5	Very high	58 Å²	58	39.2 Å²	39.2	23%	0.227	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.2	-171.8	-63.5	-82.5	0	0	0	113.8	H438 L636 A640 E641 M643	H438-Y645 HydrophobicContact CB-CD1 3.73Å; H438-Y645 HydrophobicContact CB-CD2 3.52Å; H438-Y645 HydrophobicContact CB-CE1 4.18Å; H438-Y645 HydrophobicContact CB-CE2 3.98Å; H438-Y645 HydrophobicContact CB-CG 3.36Å; H438-Y645 AromaticContact CD2-CD1 3.99Å; H438-Y645 AromaticContact CG-CD1 4Å; L636-Y645 HydrophobicContact CD1-CD1 4.14Å; A640-Y645 HydrophobicContact CB-CD1 4.48Å; A640-Y645 WeakPolarHBondContact O-CA 3.38Å; A640-Y645 PolarHBondContact O-N 2.84Å; E641-Y645 HydrophobicContact CB-CD1 4.42Å; E641-Y645 HydrophobicContact CB-CE1 3.62Å; E641-Y645 HydrophobicContact CB-CE2 4.23Å; E641-Y645 WeakPolarHBondContact CB-OH 3.48Å; M643-Y645 PolarHBondContact O-N 2.85Å
646	F	97.6	Very high	95.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.199	C	C	.	.			trans	-64.7	138.4	176.6	-75	3	0	0	0	111.5	I358 E391 P392 L393 P637 M643 Y644 A650 L651	I358-F646 HydrophobicContact CD1-CD2 3.76Å; I358-F646 HydrophobicContact CD1-CE2 3.79Å; E391-F646 HydrophobicContact CB-CE1 4.16Å; E391-F646 HydrophobicContact CB-CZ 4.19Å; P392-F646 HydrophobicContact CG-CE2 3.96Å; P392-F646 HydrophobicContact CG-CZ 3.91Å; L393-F646 HydrophobicContact CD1-CD2 4.48Å; L393-F646 HydrophobicContact CD1-CE1 3.95Å; L393-F646 HydrophobicContact CD1-CE2 3.85Å; L393-F646 HydrophobicContact CD1-CZ 3.55Å; L393-F646 HydrophobicContact CG-CE1 4.48Å; L393-F646 HydrophobicContact CG-CE2 3.95Å; L393-F646 HydrophobicContact CG-CZ 3.67Å; P637-F646 WeakPolarHBondContact CD-O 3.38Å; M643-F646 WeakPolarHBondContact O-CB 3.23Å; M643-F646 WeakPolarHBondContact O-CG 3.08Å; M643-F646 PolarHBondContact O-N 3.27Å; Y644-F646 VanDerWaalsContact CB-CE1 3.44Å; Y644-F646 HydrophobicContact CD2-CZ 4.47Å; Y644-F646 HydrophobicContact CG-CE1 4.27Å; Y644-F646 HydrophobicContact CG-CZ 4.4Å; Y644-F646 PolarHBondContact O-N 3.41Å; F646-A650 HydrophobicContact CB-CB 3.78Å; F646-A650 HydrophobicContact CD1-CB 4.27Å; F646-A650 HydrophobicContact CD2-CB 4.33Å; F646-A650 HydrophobicContact CG-CB 3.89Å; F646-L651 HydrophobicContact CB-CD2 4.06Å; F646-L651 HydrophobicContact CB-CG 3.92Å; F646-L651 HydrophobicContact CD2-CD2 4.28Å
647	S	97.1	Very high	95.3	Very high	12 Å²	12	35.9 Å²	35.9	8%	0.084	19%	0.189	C	C	.	.			trans	-69.7	171.3	164.9	65.3	0	0	0	0	110.7	E404 L649 A650 L651	E404-S647 WeakPolarHBondContact OE1-CB 3.3Å; E404-S647 VanDerWaalsContact OE2-CB 3.24Å; E404-S647 WeakPolarHBondContact OE2-CB 3.45Å; E404-S647 PolarHBondContact OE2-OG 3.18Å; S647-L649 PolarHBondContact O-N 2.85Å; S647-L649 PolarHBondContact OG-N 3.33Å; S647-A650 PolarHBondContact O-N 2.77Å; S647-A650 WeakPolarHBondContact OG-CB 3.43Å; S647-A650 PolarHBondContact OG-N 2.83Å; S647-L651 WeakPolarHBondContact O-CG 3.26Å; S647-L651 PolarHBondContact O-N 3.06Å
648	S	96	Very high	95.3	Very high	72 Å²	72	42.3 Å²	42.3	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-57	-39	172.9	-59.2	0	0	0	0	112
649	L	96.9	Very high	95.3	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-49.7	174.1	-179.1	59.9	0	0	0	111.1	E404 L454 S647 L651 V652 L653	E404-L649 HydrophobicContact CB-CD2 4.2Å; E404-L649 WeakPolarHBondContact OE2-CB 3.41Å; L454-L649 HydrophobicContact CD2-CD1 4.18Å; S647-L649 PolarHBondContact O-N 2.85Å; S647-L649 PolarHBondContact OG-N 3.33Å; L649-L651 PolarHBondContact O-N 3.5Å; L649-V652 HydrophobicContact CD1-CG2 4.1Å; L649-V652 WeakPolarHBondContact O-CG2 3.35Å; L649-V652 PolarHBondContact O-N 3.45Å; L649-L653 HydrophobicContact CD1-CD2 3.96Å; L649-L653 HydrophobicContact CG-CD2 4.04Å; L649-L653 HydrophobicContact CG-CG 4.42Å; L649-L653 WeakPolarHBondContact O-CG 3.17Å; L649-L653 PolarHBondContact O-N 2.95Å
650	A	97.8	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-34.6	-177.5	0	0	0	0	0	112.5	L393 F646 S647 V652 L653	L393-A650 HydrophobicContact CD1-CB 4.23Å; F646-A650 HydrophobicContact CB-CB 3.78Å; F646-A650 HydrophobicContact CD1-CB 4.27Å; F646-A650 HydrophobicContact CD2-CB 4.33Å; F646-A650 HydrophobicContact CG-CB 3.89Å; S647-A650 PolarHBondContact O-N 2.77Å; S647-A650 WeakPolarHBondContact OG-CB 3.43Å; S647-A650 PolarHBondContact OG-N 2.83Å; A650-V652 VanDerWaalsContact C-N 3.26Å; A650-V652 PolarHBondContact O-N 3.22Å; A650-L653 PolarHBondContact O-N 3.05Å
651	L	97.4	Very high	95.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-37.4	173	-77.2	169	0	0	0	112.1	R355 T356 I358 P637 M643 F646 S647 L649	R355-L651 PolarHBondContact NE-O 3.38Å; R355-L651 PolarHBondContact NH2-O 3.4Å; T356-L651 VanDerWaalsContact O-CD1 3.29Å; T356-L651 WeakPolarHBondContact O-CD1 3.4Å; I358-L651 HydrophobicContact CB-CD2 4.44Å; I358-L651 HydrophobicContact CD1-CD2 4.29Å; I358-L651 HydrophobicContact CG1-CD2 3.88Å; I358-L651 HydrophobicContact CG2-CD2 4.02Å; P637-L651 HydrophobicContact CB-CD1 4.24Å; P637-L651 HydrophobicContact CG-CD1 3.67Å; M643-L651 HydrophobicContact CB-CD2 4.33Å; M643-L651 HydrophobicContact SD-CD2 4.02Å; F646-L651 HydrophobicContact CB-CD2 4.06Å; F646-L651 HydrophobicContact CB-CG 3.92Å; F646-L651 HydrophobicContact CD2-CD2 4.28Å; S647-L651 WeakPolarHBondContact O-CG 3.26Å; S647-L651 PolarHBondContact O-N 3.06Å; L649-L651 PolarHBondContact O-N 3.5Å
652	V	97.1	Very high	95.8	Very high	12 Å²	12	33.3 Å²	33.3	7%	0.073	19%	0.19	C	C	.	.	H	α-helix	trans	-90.1	-14.6	-174.6	-52.1	0	0	0	0	113.6	H354 R355 L649 A650 N654 E655	H354-V652 HydrophobicContact CB-CB 4.29Å; H354-V652 HydrophobicContact CB-CG1 3.52Å; R355-V652 HydrophobicContact CG-CG1 4.5Å; R355-V652 WeakPolarHBondContact O-CG1 3.36Å; L649-V652 HydrophobicContact CD1-CG2 4.1Å; L649-V652 WeakPolarHBondContact O-CG2 3.35Å; L649-V652 PolarHBondContact O-N 3.45Å; A650-V652 VanDerWaalsContact C-N 3.26Å; A650-V652 PolarHBondContact O-N 3.22Å; V652-N654 PolarHBondContact O-N 2.93Å; V652-N654 VanDerWaalsContact O-N 3.13Å; V652-E655 VanDerWaalsContact O-CB 3.31Å; V652-E655 WeakPolarHBondContact O-CB 3.35Å; V652-E655 PolarHBondContact O-N 3.36Å
653	L	97.8	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30	-172.7	-67.9	-179.7	0	0	0	114.1	L393 Q397 T400 E401 Y452 L454 L649 A650	L393-L653 HydrophobicContact CD1-CD1 4.34Å; L393-L653 HydrophobicContact CD2-CB 3.87Å; Q397-L653 HydrophobicContact CB-CB 4.31Å; Q397-L653 HydrophobicContact CB-CD1 4.13Å; Q397-L653 HydrophobicContact CG-CB 4.31Å; Q397-L653 PolarHBondContact NE2-O 3.2Å; Q397-L653 WeakPolarHBondContact O-CD1 3.44Å; T400-L653 HydrophobicContact CG2-CD2 4.49Å; E401-L653 HydrophobicContact CG-CD1 3.58Å; Y452-L653 HydrophobicContact CE1-CD2 4.27Å; Y452-L653 WeakPolarHBondContact CE2-O 3.38Å; Y452-L653 VanDerWaalsContact OH-CA 3.27Å; Y452-L653 WeakPolarHBondContact OH-CA 3.5Å; Y452-L653 WeakPolarHBondContact OH-CB 2.94Å; Y452-L653 WeakPolarHBondContact OH-CD2 3.44Å; Y452-L653 PolarHBondContact OH-O 3.45Å; L454-L653 HydrophobicContact CD1-CD2 4.21Å; L454-L653 HydrophobicContact CD2-CD2 4.21Å; L649-L653 HydrophobicContact CD1-CD2 3.96Å; L649-L653 HydrophobicContact CG-CD2 4.04Å; L649-L653 HydrophobicContact CG-CG 4.42Å; L649-L653 WeakPolarHBondContact O-CG 3.17Å; L649-L653 PolarHBondContact O-N 2.95Å; A650-L653 PolarHBondContact O-N 3.05Å
654	N	97.8	Very high	96.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	11.9	179.6	-163.8	47.8	0	0	0	113.3	L393 Q397 V652 Q671 R672 E675	L393-N654 HydrophobicContact CD2-CB 3.81Å; Q397-N654 PolarHBondContact NE2-OD1 3.2Å; V652-N654 PolarHBondContact O-N 2.93Å; V652-N654 VanDerWaalsContact O-N 3.13Å; N654-Q671 VanDerWaalsContact CG-NE2 3.33Å; N654-Q671 PolarHBondContact OD1-NE2 2.91Å; N654-R672 VanDerWaalsContact O-CZ 3.32Å; N654-R672 PolarHBondContact O-NH1 3.11Å; N654-R672 PolarHBondContact O-NH2 3.49Å; N654-E675 WeakPolarHBondContact CB-OE2 3.48Å; N654-E675 VanDerWaalsContact ND2-CD 3.35Å; N654-E675 PolarHBondContact ND2-OE2 2.82Å
655	E	96.4	Very high	96.6	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.117	17%	0.17	C	C	.	.	S	Bend	trans	-61.6	132.3	169.2	-170.7	-178.2	141.4	0	0	109.1	R352 R355 V652 E657 R666	R352-E655 IonicContact CZ-OE1 3.21Å; R352-E655 IonicContact NE-OE1 2.7Å; R352-E655 IonicContact NH2-OE1 3.69Å; R352-E655 PolarHBondContact NH2-OE1 3.03Å; R355-E655 HydrophobicContact CG-CB 4.36Å; R355-E655 HydrophobicContact CG-CG 4.36Å; R355-E655 WeakPolarHBondContact CG-OE2 3.4Å; R355-E655 PolarHBondContact N-OE2 3.19Å; V652-E655 VanDerWaalsContact O-CB 3.31Å; V652-E655 WeakPolarHBondContact O-CB 3.35Å; V652-E655 PolarHBondContact O-N 3.36Å; E655-E657 PolarHBondContact O-N 2.7Å; E655-R666 WeakPolarHBondContact O-CD 3.42Å; E655-R666 PolarHBondContact O-NE 3.1Å
656	P	94.8	Very high	96.7	Very high	80 Å²	80	26.8 Å²	26.8	52%	0.519	16%	0.161	S	C	.	.			trans	-55.8	134.9	174.8	-25	34.1	0	0	0	111.9	R352	R352-P656 PolarHBondContact NH2-O 3.33Å
657	E	93.6	Very high	96.7	Very high	23 Å²	23	30.7 Å²	30.7	11%	0.107	18%	0.181	C	C	.	.			trans	-131.7	137.2	175.2	-56.6	-162.3	-150	0	0	108.7	R352 R456 E655 V660 R666	R352-E657 IonicContact NH1-OE2 2.67Å; R352-E657 PolarHBondContact NH1-OE2 3.12Å; R456-E657 IonicContact CZ-OE1 2.92Å; R456-E657 IonicContact NH1-OE1 3.79Å; R456-E657 PolarHBondContact NH1-OE1 2.7Å; R456-E657 VanDerWaalsContact NH1-OE1 3.15Å; R456-E657 IonicContact NH1-OE2 2.88Å; R456-E657 IonicContact NH2-OE1 3.61Å; R456-E657 PolarHBondContact NH2-OE1 3.03Å; E655-E657 PolarHBondContact O-N 2.7Å; E657-V660 HydrophobicContact CB-CG1 3.89Å; E657-V660 WeakPolarHBondContact O-CG1 3.29Å; E657-R666 IonicContact OE1-CZ 3.9Å; E657-R666 IonicContact OE1-NE 3.42Å; E657-R666 IonicContact OE1-NH2 3.61Å; E657-R666 PolarHBondContact OE1-NH2 3.38Å
658	D	92.9	Very high	96.7	Very high	163 Å²	163	30.3 Å²	30.3	87%	0.872	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	154.4	177.4	-63.4	-40.9	0	0	0	110.7	V660	D658-V660 PolarHBondContact O-N 3.46Å
659	G	93.5	Very high	96.8	Very high	35 Å²	35	28.4 Å²	28.4	36%	0.361	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	6.2	174.8	0	0	0	0	0	115.3	W756	G659-W756 VanDerWaalsContact O-CZ2 3.29Å; G659-W756 WeakPolarHBondContact O-CZ2 3.42Å; G659-W756 PolarHBondContact O-NE1 2.93Å
660	V	96.6	Very high	96.8	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.073	16%	0.158	C	C	.	.			trans	-68.6	157.5	173.1	-58	0	0	0	0	111.5	E453 E657 D658 D664 L667 W756	E453-V660 HydrophobicContact CG-CG1 4.44Å; E453-V660 WeakPolarHBondContact OE1-CG1 3.23Å; E657-V660 HydrophobicContact CB-CG1 3.89Å; E657-V660 WeakPolarHBondContact O-CG1 3.29Å; D658-V660 PolarHBondContact O-N 3.46Å; V660-D664 HydrophobicContact CB-CB 3.84Å; V660-D664 HydrophobicContact CG2-CB 3.89Å; V660-L667 HydrophobicContact CG2-CD1 4.04Å; V660-L667 HydrophobicContact CG2-CD2 4.33Å; V660-L667 HydrophobicContact CG2-CG 4.06Å; V660-W756 PolarHBondContact O-NE1 3.02Å
661	A	97.1	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.			trans	-61.7	151.3	175.4	0	0	0	0	0	112.5	T663 D664 L667 Y747 W756	A661-T663 PolarHBondContact O-N 3.26Å; A661-D664 WeakPolarHBondContact O-CB 3.47Å; A661-D664 PolarHBondContact O-N 3.37Å; A661-L667 WeakPolarHBondContact O-CD1 3.31Å; A661-Y747 HydrophobicContact CB-CE2 3.92Å; A661-W756 HydrophobicContact CB-CD2 4.03Å; A661-W756 HydrophobicContact CB-CE3 3.74Å; A661-W756 HydrophobicContact CB-CH2 3.81Å; A661-W756 HydrophobicContact CB-CZ2 4.1Å; A661-W756 HydrophobicContact CB-CZ3 3.64Å
662	L	96.9	Very high	96.6	Very high	96 Å²	96	29.1 Å²	29.1	50%	0.503	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.5	175.7	-63.4	178.4	0	0	0	113.4	W756 C759 F763	L662-W756 HydrophobicContact CD1-CB 4.36Å; L662-W756 HydrophobicContact CG-CB 4.13Å; L662-C759 HydrophobicContact CB-CB 4.14Å; L662-F763 WeakPolarHBondContact O-CD2 3.4Å; L662-F763 VanDerWaalsContact O-CE2 3.29Å; L662-F763 WeakPolarHBondContact O-CE2 3.31Å
663	T	98	Very high	96.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.7	177.4	50.5	0	0	0	0	113.4	T451 A661 C759 P760 I762	T451-T663 WeakPolarHBondContact CG2-OG1 3.43Å; T451-T663 PolarHBondContact N-O 3.43Å; T451-T663 VanDerWaalsContact OG1-C 3.24Å; T451-T663 WeakPolarHBondContact OG1-CB 2.9Å; T451-T663 PolarHBondContact OG1-O 2.91Å; T451-T663 PolarHBondContact OG1-OG1 3.11Å; A661-T663 PolarHBondContact O-N 3.26Å; T663-C759 HydrophobicContact CG2-CB 4.29Å; T663-P760 HydrophobicContact CG2-CG 4.11Å; T663-P760 WeakPolarHBondContact CG2-O 3.37Å; T663-I762 HydrophobicContact CG2-CD1 3.76Å; T663-I762 HydrophobicContact CG2-CG1 4.03Å; T663-I762 HydrophobicContact CG2-CG2 4.49Å
664	D	98.6	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-66.8	135.2	-176.3	-168.3	-90.6	0	0	0	112.6	T451 Y452 E453 V660 A661 R666 L667 F763	T451-D664 CarbonylContact O-C 3.52Å; T451-D664 WeakPolarHBondContact O-CA 3.33Å; T451-D664 PolarHBondContact OG1-N 2.91Å; Y452-D664 WeakPolarHBondContact CA-OD2 3.38Å; E453-D664 PolarHBondContact N-OD2 2.95Å; E453-D664 VanDerWaalsContact N-OD2 3.12Å; V660-D664 HydrophobicContact CB-CB 3.84Å; V660-D664 HydrophobicContact CG2-CB 3.89Å; A661-D664 WeakPolarHBondContact O-CB 3.47Å; A661-D664 PolarHBondContact O-N 3.37Å; D664-R666 VanDerWaalsContact CG-NH1 3.32Å; D664-R666 PolarHBondContact O-N 2.82Å; D664-R666 VanDerWaalsContact OD1-CB 3.26Å; D664-R666 WeakPolarHBondContact OD1-CB 3.37Å; D664-R666 WeakPolarHBondContact OD1-CD 3.48Å; D664-R666 WeakPolarHBondContact OD1-CG 3.37Å; D664-R666 IonicContact OD1-CZ 3.5Å; D664-R666 PolarHBondContact OD1-N 3.11Å; D664-R666 IonicContact OD1-NH1 3.26Å; D664-R666 PolarHBondContact OD1-NH1 2.9Å; D664-R666 IonicContact OD2-NH1 2.85Å; D664-R666 PolarHBondContact OD2-NH1 3.12Å; D664-R666 VanDerWaalsContact OD2-NH1 3.09Å; D664-L667 WeakPolarHBondContact O-CB 3.47Å; D664-L667 PolarHBondContact O-N 3.13Å; D664-F763 WeakPolarHBondContact O-CE2 3.37Å; D664-F763 WeakPolarHBondContact O-CZ 3.33Å
665	S	98.4	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.2	-24.1	-179.6	-59.8	0	0	0	0	113.9	E450 T451 L667 R668 Q671	E450-S665 WeakPolarHBondContact OE1-CB 3.24Å; E450-S665 PolarHBondContact OE1-OG 2.84Å; T451-S665 PolarHBondContact O-N 2.98Å; T451-S665 PolarHBondContact O-OG 2.8Å; S665-L667 PolarHBondContact O-N 3.19Å; S665-R668 WeakPolarHBondContact O-CB 3.4Å; S665-R668 PolarHBondContact O-N 3.15Å; S665-Q671 PolarHBondContact O-NE2 2.94Å
666	R	98	Very high	96.2	Very high	6 Å²	6	33.7 Å²	33.7	2%	0.023	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-67.5	-24.6	176	-64.9	169.2	-172.4	98.4	-10.6	113.6	Y452 E453 E655 E657 D664 R668 R672	Y452-R666 HydrophobicContact CE2-CG 4.43Å; E453-R666 VanDerWaalsContact O-CZ 3.29Å; E453-R666 PolarHBondContact O-NH1 3.33Å; E453-R666 PolarHBondContact O-NH2 3.47Å; E655-R666 WeakPolarHBondContact O-CD 3.42Å; E655-R666 PolarHBondContact O-NE 3.1Å; E657-R666 IonicContact OE1-CZ 3.9Å; E657-R666 IonicContact OE1-NE 3.42Å; E657-R666 IonicContact OE1-NH2 3.61Å; E657-R666 PolarHBondContact OE1-NH2 3.38Å; D664-R666 VanDerWaalsContact CG-NH1 3.32Å; D664-R666 PolarHBondContact O-N 2.82Å; D664-R666 VanDerWaalsContact OD1-CB 3.26Å; D664-R666 WeakPolarHBondContact OD1-CB 3.37Å; D664-R666 WeakPolarHBondContact OD1-CD 3.48Å; D664-R666 WeakPolarHBondContact OD1-CG 3.37Å; D664-R666 IonicContact OD1-CZ 3.5Å; D664-R666 PolarHBondContact OD1-N 3.11Å; D664-R666 IonicContact OD1-NH1 3.26Å; D664-R666 PolarHBondContact OD1-NH1 2.9Å; D664-R666 IonicContact OD2-NH1 2.85Å; D664-R666 PolarHBondContact OD2-NH1 3.12Å; D664-R666 VanDerWaalsContact OD2-NH1 3.09Å; R666-R668 VanDerWaalsContact C-N 3.34Å; R666-R672 PolarHBondContact O-NH2 3Å
667	L	97.7	Very high	96	Very high	84 Å²	84	31.8 Å²	31.8	44%	0.44	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-89.1	-4.3	178.6	-58.4	-177.8	0	0	0	112.5	V660 A661 D664 S665 P669 F763	V660-L667 HydrophobicContact CG2-CD1 4.04Å; V660-L667 HydrophobicContact CG2-CD2 4.33Å; V660-L667 HydrophobicContact CG2-CG 4.06Å; A661-L667 WeakPolarHBondContact O-CD1 3.31Å; D664-L667 WeakPolarHBondContact O-CB 3.47Å; D664-L667 PolarHBondContact O-N 3.13Å; S665-L667 PolarHBondContact O-N 3.19Å; L667-P669 WeakPolarHBondContact O-CD 3.44Å; L667-F763 HydrophobicContact CB-CD2 4.21Å; L667-F763 HydrophobicContact CB-CE2 3.9Å
668	R	97.8	Very high	95.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.015	20%	0.195	C	C	.	.			trans	-68.3	116.2	-179.6	179	169.3	175.2	160.4	0.1	111.1	N445 E450 S665 R666 D670 Q671 R672 L689 F763	N445-R668 PolarHBondContact O-NH1 3.5Å; E450-R668 IonicContact OE1-NH1 3.61Å; E450-R668 IonicContact OE2-CZ 3.23Å; E450-R668 IonicContact OE2-NH1 3.37Å; E450-R668 PolarHBondContact OE2-NH1 2.89Å; S665-R668 WeakPolarHBondContact O-CB 3.4Å; S665-R668 PolarHBondContact O-N 3.15Å; R666-R668 VanDerWaalsContact C-N 3.34Å; R668-D670 WeakPolarHBondContact CD-OD1 3.42Å; R668-D670 WeakPolarHBondContact CG-OD1 3.45Å; R668-D670 IonicContact CZ-OD1 2.73Å; R668-D670 IonicContact CZ-OD2 3.6Å; R668-D670 IonicContact NE-OD1 3.19Å; R668-D670 PolarHBondContact NE-OD1 2.93Å; R668-D670 IonicContact NE-OD2 2.7Å; R668-D670 PolarHBondContact NE-OD2 3.35Å; R668-D670 IonicContact NH2-OD1 3.39Å; R668-D670 IonicContact NH2-OD2 2.89Å; R668-D670 PolarHBondContact NH2-OD2 2.84Å; R668-Q671 HydrophobicContact CB-CB 4.28Å; R668-Q671 HydrophobicContact CG-CB 4.05Å; R668-R672 PolarHBondContact O-N 2.73Å; R668-R672 VanDerWaalsContact O-N 3.11Å; R668-L689 HydrophobicContact CG-CD1 4.39Å; R668-F763 HydrophobicContact CB-CD1 4.2Å; R668-F763 HydrophobicContact CB-CE1 3.63Å; R668-F763 HydrophobicContact CB-CE2 4.46Å; R668-F763 HydrophobicContact CB-CZ 3.78Å; R668-F763 HydrophobicContact CG-CD1 4.2Å; R668-F763 HydrophobicContact CG-CE1 3.84Å; R668-F763 HydrophobicContact CG-CZ 4.49Å
669	P	97.6	Very high	95.6	Very high	31 Å²	31	29.9 Å²	29.9	20%	0.201	16%	0.16	C	C	.	.	H	α-helix	trans	-72.4	-39.9	-165.7	25.2	-33.7	0	0	0	114.4	L667 Q671 R672 L673 L689	L667-P669 WeakPolarHBondContact O-CD 3.44Å; P669-Q671 VanDerWaalsContact C-N 3.34Å; P669-Q671 PolarHBondContact O-N 2.98Å; P669-R672 PolarHBondContact O-N 2.79Å; P669-L673 WeakPolarHBondContact O-CB 3.37Å; P669-L673 VanDerWaalsContact O-CG 3.25Å; P669-L673 WeakPolarHBondContact O-CG 3.48Å; P669-L673 PolarHBondContact O-N 3.08Å; P669-L689 HydrophobicContact CG-CD1 4.14Å
670	D	96.4	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-41.5	177.8	59.7	-24.5	0	0	0	112	F444 R668 M674 A682 E685 K686 L689	F444-D670 WeakPolarHBondContact CD1-OD2 3.37Å; F444-D670 HydrophobicContact CE1-CB 4.29Å; F444-D670 WeakPolarHBondContact CE1-OD2 3.37Å; R668-D670 WeakPolarHBondContact CD-OD1 3.42Å; R668-D670 WeakPolarHBondContact CG-OD1 3.45Å; R668-D670 IonicContact CZ-OD1 2.73Å; R668-D670 IonicContact CZ-OD2 3.6Å; R668-D670 IonicContact NE-OD1 3.19Å; R668-D670 PolarHBondContact NE-OD1 2.93Å; R668-D670 IonicContact NE-OD2 2.7Å; R668-D670 PolarHBondContact NE-OD2 3.35Å; R668-D670 IonicContact NH2-OD1 3.39Å; R668-D670 IonicContact NH2-OD2 2.89Å; R668-D670 PolarHBondContact NH2-OD2 2.84Å; D670-M674 WeakPolarHBondContact O-CB 3.46Å; D670-M674 PolarHBondContact O-N 3.46Å; D670-A682 WeakPolarHBondContact CB-O 3.45Å; D670-A682 WeakPolarHBondContact O-CB 3.38Å; D670-E685 HydrophobicContact CB-CB 3.97Å; D670-K686 HydrophobicContact CB-CB 3.86Å; D670-L689 HydrophobicContact CB-CD1 4.18Å; D670-L689 VanDerWaalsContact CG-CD1 3.47Å; D670-L689 VanDerWaalsContact OD1-CD1 3.23Å; D670-L689 WeakPolarHBondContact OD1-CD1 3.47Å
671	Q	96.1	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-44.3	174.7	179.9	173.4	-60.7	0	0	112.3	F444 N654 S665 R668 P669 M674 E675	F444-Q671 HydrophobicContact CD2-CB 4.3Å; F444-Q671 HydrophobicContact CD2-CG 4.28Å; F444-Q671 HydrophobicContact CE2-CB 4.26Å; F444-Q671 HydrophobicContact CE2-CG 4.35Å; N654-Q671 VanDerWaalsContact CG-NE2 3.33Å; N654-Q671 PolarHBondContact OD1-NE2 2.91Å; S665-Q671 PolarHBondContact O-NE2 2.94Å; R668-Q671 HydrophobicContact CB-CB 4.28Å; R668-Q671 HydrophobicContact CG-CB 4.05Å; P669-Q671 VanDerWaalsContact C-N 3.34Å; P669-Q671 PolarHBondContact O-N 2.98Å; Q671-M674 PolarHBondContact O-N 3.49Å; Q671-E675 PolarHBondContact O-N 2.97Å; Q671-E675 VanDerWaalsContact O-N 3.07Å
672	R	96.4	Very high	95.1	Very high	39 Å²	39	38.3 Å²	38.3	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-49.3	177.9	-179.7	60.9	60.8	-161	-1.7	111.8	N654 R666 R668 P669 M674 E675 E676	N654-R672 VanDerWaalsContact O-CZ 3.32Å; N654-R672 PolarHBondContact O-NH1 3.11Å; N654-R672 PolarHBondContact O-NH2 3.49Å; R666-R672 PolarHBondContact O-NH2 3Å; R668-R672 PolarHBondContact O-N 2.73Å; R668-R672 VanDerWaalsContact O-N 3.11Å; P669-R672 PolarHBondContact O-N 2.79Å; R672-M674 PolarHBondContact O-N 3Å; R672-E675 IonicContact CZ-OE1 3.53Å; R672-E675 IonicContact NH1-OE1 3.69Å; R672-E675 PolarHBondContact NH1-OE1 3.07Å; R672-E675 WeakPolarHBondContact O-CB 3.24Å; R672-E675 PolarHBondContact O-N 3.32Å; R672-E675 VanDerWaalsContact O-N 3.11Å; R672-E676 WeakPolarHBondContact CD-OE1 3.29Å; R672-E676 WeakPolarHBondContact CG-OE1 3.4Å; R672-E676 WeakPolarHBondContact O-CG 3.47Å; R672-E676 PolarHBondContact O-N 3.25Å
673	L	96	Very high	94.8	Very high	21 Å²	21	36 Å²	36	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-38.3	178.7	-72.1	167.3	0	0	0	111.4	P669 E676 G677 R678 E681 A682 E685	P669-L673 WeakPolarHBondContact O-CB 3.37Å; P669-L673 VanDerWaalsContact O-CG 3.25Å; P669-L673 WeakPolarHBondContact O-CG 3.48Å; P669-L673 PolarHBondContact O-N 3.08Å; L673-E676 PolarHBondContact O-N 2.9Å; L673-G677 PolarHBondContact O-N 3.35Å; L673-R678 HydrophobicContact CB-CB 4.28Å; L673-R678 HydrophobicContact CD2-CB 4.04Å; L673-R678 WeakPolarHBondContact O-CA 3.24Å; L673-R678 WeakPolarHBondContact O-CB 3.48Å; L673-R678 PolarHBondContact O-N 2.99Å; L673-E681 HydrophobicContact CD1-CB 3.97Å; L673-E681 HydrophobicContact CD2-CB 4.32Å; L673-A682 HydrophobicContact CB-CB 3.78Å; L673-E685 HydrophobicContact CD1-CB 4.16Å; L673-E685 HydrophobicContact CD1-CG 3.6Å
674	M	94.4	Very high	94.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-46	174.7	-178.8	-175.5	164.8	0	0	112	V387 N390 F444 Y644 D670 Q671 R672 E676 G677 W679 A682	V387-M674 HydrophobicContact CG1-CB 3.9Å; V387-M674 HydrophobicContact CG1-CG 3.62Å; V387-M674 HydrophobicContact CG1-SD 3.4Å; V387-M674 WeakPolarHBondContact CG1-SD 3.22Å; N390-M674 HydrophobicContact CB-CE 4.04Å; N390-M674 HydrophobicContact CB-SD 3.82Å; N390-M674 WeakPolarHBondContact O-CE 3.28Å; F444-M674 HydrophobicContact CE2-CB 4.47Å; F444-M674 HydrophobicContact CE2-SD 3.34Å; F444-M674 WeakPolarHBondContact CE2-SD 3.44Å; F444-M674 HydrophobicContact CZ-CB 4.16Å; F444-M674 HydrophobicContact CZ-CG 4.47Å; F444-M674 HydrophobicContact CZ-SD 3.49Å; F444-M674 WeakPolarHBondContact CZ-SD 3.46Å; Y644-M674 HydrophobicContact CE1-CE 4.03Å; D670-M674 WeakPolarHBondContact O-CB 3.46Å; D670-M674 PolarHBondContact O-N 3.46Å; Q671-M674 PolarHBondContact O-N 3.49Å; R672-M674 PolarHBondContact O-N 3Å; M674-E676 PolarHBondContact O-N 2.9Å; M674-G677 PolarHBondContact O-N 3.03Å; M674-W679 HydrophobicContact CE-CH2 3.24Å; M674-W679 HydrophobicContact CE-CZ2 4.32Å; M674-W679 HydrophobicContact CE-CZ3 3.39Å; M674-W679 HydrophobicContact CG-CE3 3.98Å; M674-W679 HydrophobicContact CG-CH2 3.69Å; M674-W679 HydrophobicContact CG-CZ2 4.17Å; M674-W679 HydrophobicContact CG-CZ3 3.56Å; M674-W679 HydrophobicContact SD-CH2 4.19Å; M674-W679 HydrophobicContact SD-CZ3 3.9Å; M674-A682 HydrophobicContact CB-CB 4.05Å
675	E	94.9	Very high	94.4	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-36.6	177.6	-166	-179.6	78.2	0	0	112.1	R355 P359 P392 N654 Q671 R672 G677	R355-E675 IonicContact CZ-OE1 2.63Å; R355-E675 IonicContact CZ-OE2 2.79Å; R355-E675 VanDerWaalsContact NH1-CD 3.29Å; R355-E675 IonicContact NH1-OE1 2.71Å; R355-E675 PolarHBondContact NH1-OE1 3.12Å; R355-E675 IonicContact NH1-OE2 3.91Å; R355-E675 PolarHBondContact NH1-OE2 3.33Å; R355-E675 IonicContact NH2-OE1 3.44Å; R355-E675 IonicContact NH2-OE2 3.73Å; R355-E675 PolarHBondContact NH2-OE2 3.35Å; P359-E675 WeakPolarHBondContact CG-O 3.4Å; P392-E675 HydrophobicContact CB-CB 3.72Å; P392-E675 HydrophobicContact CB-CG 4.06Å; P392-E675 HydrophobicContact CG-CB 4.44Å; P392-E675 HydrophobicContact CG-CG 4.32Å; N654-E675 WeakPolarHBondContact CB-OE2 3.48Å; N654-E675 VanDerWaalsContact ND2-CD 3.35Å; N654-E675 PolarHBondContact ND2-OE2 2.82Å; Q671-E675 PolarHBondContact O-N 2.97Å; Q671-E675 VanDerWaalsContact O-N 3.07Å; R672-E675 IonicContact CZ-OE1 3.53Å; R672-E675 IonicContact NH1-OE1 3.69Å; R672-E675 PolarHBondContact NH1-OE1 3.07Å; R672-E675 WeakPolarHBondContact O-CB 3.24Å; R672-E675 PolarHBondContact O-N 3.32Å; R672-E675 VanDerWaalsContact O-N 3.11Å; E675-G677 PolarHBondContact O-N 3.39Å
676	E	94.2	Very high	94.2	Very high	99 Å²	99	42.6 Å²	42.6	46%	0.463	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.3	176.7	-68.3	174	-176	0	0	113.8	R672 L673 M674 R678	R672-E676 WeakPolarHBondContact CD-OE1 3.29Å; R672-E676 WeakPolarHBondContact CG-OE1 3.4Å; R672-E676 WeakPolarHBondContact O-CG 3.47Å; R672-E676 PolarHBondContact O-N 3.25Å; L673-E676 PolarHBondContact O-N 2.9Å; M674-E676 PolarHBondContact O-N 2.9Å; E676-R678 HydrophobicContact CB-CG 4.46Å; E676-R678 IonicContact OE2-NH1 3.92Å
677	G	91	Very high	93.9	Very high	39 Å²	39	47.6 Å²	47.6	40%	0.402	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.9	-178.4	0	0	0	0	0	114.7	L673 M674 E675 W679	L673-G677 PolarHBondContact O-N 3.35Å; M674-G677 PolarHBondContact O-N 3.03Å; E675-G677 PolarHBondContact O-N 3.39Å; G677-W679 VanDerWaalsContact C-CD1 3.43Å; G677-W679 PolarHBondContact O-N 3.36Å
678	R	91.8	Very high	93.8	Very high	110 Å²	110	48.2 Å²	48.2	42%	0.415	24%	0.241	S	C	.	.			trans	-92.7	64.3	177.6	-63.2	173.6	67.6	-173.2	4.9	111.2	L673 E676 D680 E681 A682	L673-R678 HydrophobicContact CB-CB 4.28Å; L673-R678 HydrophobicContact CD2-CB 4.04Å; L673-R678 WeakPolarHBondContact O-CA 3.24Å; L673-R678 WeakPolarHBondContact O-CB 3.48Å; L673-R678 PolarHBondContact O-N 2.99Å; E676-R678 HydrophobicContact CB-CG 4.46Å; E676-R678 IonicContact OE2-NH1 3.92Å; R678-D680 PolarHBondContact O-N 2.75Å; R678-E681 HydrophobicContact CB-CB 4.46Å; R678-E681 IonicContact CZ-OE1 3.64Å; R678-E681 IonicContact CZ-OE2 3.66Å; R678-E681 IonicContact NE-OE1 3.71Å; R678-E681 PolarHBondContact NE-OE1 2.92Å; R678-E681 IonicContact NE-OE2 3.89Å; R678-E681 IonicContact NH2-OE1 2.84Å; R678-E681 PolarHBondContact NH2-OE1 3.27Å; R678-E681 IonicContact NH2-OE2 2.84Å; R678-E681 PolarHBondContact NH2-OE2 3.12Å; R678-E681 PolarHBondContact O-N 3.22Å; R678-A682 WeakPolarHBondContact O-CB 3.23Å; R678-A682 PolarHBondContact O-N 3.48Å
679	W	86.8	Confident	93.7	Very high	36 Å²	36	48 Å²	48	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-40.6	-167.7	-63.1	89.7	0	0	0	115.8	P362 V387 Y644 M674 G677 E681 A682 N683	P362-W679 HydrophobicContact CG-CD2 4.44Å; P362-W679 HydrophobicContact CG-CH2 4.17Å; P362-W679 HydrophobicContact CG-CZ2 3.47Å; P362-W679 VanDerWaalsContact CG-CZ2 3.47Å; V387-W679 HydrophobicContact CB-CE3 4.48Å; V387-W679 HydrophobicContact CG1-CE3 3.74Å; V387-W679 HydrophobicContact CG1-CZ3 3.87Å; Y644-W679 WeakPolarHBondContact OH-CH2 3.39Å; Y644-W679 WeakPolarHBondContact OH-CZ2 3.43Å; M674-W679 HydrophobicContact CE-CH2 3.24Å; M674-W679 HydrophobicContact CE-CZ2 4.32Å; M674-W679 HydrophobicContact CE-CZ3 3.39Å; M674-W679 HydrophobicContact CG-CE3 3.98Å; M674-W679 HydrophobicContact CG-CH2 3.69Å; M674-W679 HydrophobicContact CG-CZ2 4.17Å; M674-W679 HydrophobicContact CG-CZ3 3.56Å; M674-W679 HydrophobicContact SD-CH2 4.19Å; M674-W679 HydrophobicContact SD-CZ3 3.9Å; G677-W679 VanDerWaalsContact C-CD1 3.43Å; G677-W679 PolarHBondContact O-N 3.36Å; W679-E681 VanDerWaalsContact C-N 3.34Å; W679-A682 WeakPolarHBondContact O-CB 3.42Å; W679-A682 PolarHBondContact O-N 3.49Å; W679-N683 PolarHBondContact O-N 2.97Å; W679-N683 PolarHBondContact O-ND2 3.01Å
680	D	88.5	Confident	93.5	Very high	134 Å²	134	48.6 Å²	48.6	72%	0.717	24%	0.24	S	C	*	.	H	α-helix	trans	-68.3	-38.7	-179.2	-66.9	-30.1	0	0	0	111.5	R678 N683 S684	R678-D680 PolarHBondContact O-N 2.75Å; D680-N683 PolarHBondContact O-N 3.38Å; D680-S684 PolarHBondContact O-N 3.36Å; D680-S684 VanDerWaalsContact O-N 3.07Å; D680-S684 PolarHBondContact O-OG 3.36Å
681	E	93.8	Very high	93.3	Very high	90 Å²	90	53.1 Å²	53.1	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-41.4	174.4	-58.7	-174.4	-110.4	0	0	110.6	L673 R678 W679 N683 S684 E685	L673-E681 HydrophobicContact CD1-CB 3.97Å; L673-E681 HydrophobicContact CD2-CB 4.32Å; R678-E681 HydrophobicContact CB-CB 4.46Å; R678-E681 IonicContact CZ-OE1 3.64Å; R678-E681 IonicContact CZ-OE2 3.66Å; R678-E681 IonicContact NE-OE1 3.71Å; R678-E681 PolarHBondContact NE-OE1 2.92Å; R678-E681 IonicContact NE-OE2 3.89Å; R678-E681 IonicContact NH2-OE1 2.84Å; R678-E681 PolarHBondContact NH2-OE1 3.27Å; R678-E681 IonicContact NH2-OE2 2.84Å; R678-E681 PolarHBondContact NH2-OE2 3.12Å; R678-E681 PolarHBondContact O-N 3.22Å; W679-E681 VanDerWaalsContact C-N 3.34Å; E681-N683 VanDerWaalsContact C-N 3.33Å; E681-N683 PolarHBondContact O-N 2.85Å; E681-S684 PolarHBondContact O-N 2.97Å; E681-S684 VanDerWaalsContact O-N 3.16Å; E681-E685 PolarHBondContact O-N 3.48Å
682	A	93.6	Very high	93.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-42.8	173.6	0	0	0	0	0	112.2	V387 D670 L673 M674 R678 W679 K686	V387-A682 HydrophobicContact CG1-CB 4.1Å; D670-A682 WeakPolarHBondContact CB-O 3.45Å; D670-A682 WeakPolarHBondContact O-CB 3.38Å; L673-A682 HydrophobicContact CB-CB 3.78Å; M674-A682 HydrophobicContact CB-CB 4.05Å; R678-A682 WeakPolarHBondContact O-CB 3.23Å; R678-A682 PolarHBondContact O-N 3.48Å; W679-A682 WeakPolarHBondContact O-CB 3.42Å; W679-A682 PolarHBondContact O-N 3.49Å; A682-K686 VanDerWaalsContact O-CB 3.23Å; A682-K686 WeakPolarHBondContact O-CB 3.48Å; A682-K686 PolarHBondContact O-N 2.8Å
683	N	90.1	Very high	93.1	Very high	47 Å²	47	56.1 Å²	56.1	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.4	-80.8	-56.8	0	0	0	111.7	V387 W679 D680 E681 K686 Q687	V387-N683 WeakPolarHBondContact CB-OD1 3.48Å; V387-N683 HydrophobicContact CG2-CB 4.4Å; V387-N683 WeakPolarHBondContact CG2-OD1 3.25Å; V387-N683 PolarHBondContact N-OD1 2.93Å; V387-N683 VanDerWaalsContact N-OD1 3.11Å; W679-N683 PolarHBondContact O-N 2.97Å; W679-N683 PolarHBondContact O-ND2 3.01Å; D680-N683 PolarHBondContact O-N 3.38Å; E681-N683 VanDerWaalsContact C-N 3.33Å; E681-N683 PolarHBondContact O-N 2.85Å; N683-K686 PolarHBondContact O-N 3.33Å; N683-Q687 PolarHBondContact O-N 2.95Å
684	S	93.1	Very high	92.8	Very high	73 Å²	73	59.8 Å²	59.8	51%	0.51	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-46.2	178.7	-58	0	0	0	0	111.7	D680 E681 Q687 R688	D680-S684 PolarHBondContact O-N 3.36Å; D680-S684 VanDerWaalsContact O-N 3.07Å; D680-S684 PolarHBondContact O-OG 3.36Å; E681-S684 PolarHBondContact O-N 2.97Å; E681-S684 VanDerWaalsContact O-N 3.16Å; S684-Q687 PolarHBondContact O-N 3.46Å; S684-R688 PolarHBondContact O-N 3.41Å
685	E	96	Very high	92.8	Very high	51 Å²	51	61.6 Å²	61.6	24%	0.238	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-39.9	176.4	-76.6	-57.9	118.5	0	0	111.9	D670 L673 E681 Q687 R688 L689	D670-E685 HydrophobicContact CB-CB 3.97Å; L673-E685 HydrophobicContact CD1-CB 4.16Å; L673-E685 HydrophobicContact CD1-CG 3.6Å; E681-E685 PolarHBondContact O-N 3.48Å; E685-Q687 VanDerWaalsContact C-N 3.3Å; E685-Q687 PolarHBondContact O-N 2.84Å; E685-R688 WeakPolarHBondContact O-CB 3.38Å; E685-R688 PolarHBondContact O-N 3.01Å; E685-R688 IonicContact OE1-NE 3.89Å; E685-R688 PolarHBondContact OE1-NE 3.46Å; E685-R688 IonicContact OE2-CZ 2.79Å; E685-R688 IonicContact OE2-NE 2.73Å; E685-R688 PolarHBondContact OE2-NE 3.02Å; E685-R688 IonicContact OE2-NH2 3.71Å; E685-R688 PolarHBondContact OE2-NH2 3Å; E685-L689 VanDerWaalsContact O-CG 3.28Å; E685-L689 WeakPolarHBondContact O-CG 3.46Å; E685-L689 PolarHBondContact O-N 3.45Å
686	K	93.6	Very high	92.5	Very high	16 Å²	16	63.6 Å²	63.6	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-58.5	-44.7	174.8	-178.5	176.1	-175.9	175.3	0	111.3	M385 V387 N390 F444 D670 A682 N683 L689 E690	M385-K686 PolarHBondContact O-NZ 3.06Å; V387-K686 HydrophobicContact CG2-CB 4.26Å; V387-K686 HydrophobicContact CG2-CD 3.5Å; V387-K686 VanDerWaalsContact CG2-CD 3.5Å; N390-K686 PolarHBondContact OD1-NZ 3.22Å; F444-K686 HydrophobicContact CE1-CD 4.23Å; D670-K686 HydrophobicContact CB-CB 3.86Å; A682-K686 VanDerWaalsContact O-CB 3.23Å; A682-K686 WeakPolarHBondContact O-CB 3.48Å; A682-K686 PolarHBondContact O-N 2.8Å; N683-K686 PolarHBondContact O-N 3.33Å; K686-L689 PolarHBondContact O-N 3.31Å; K686-E690 VanDerWaalsContact CE-OE1 3.28Å; K686-E690 WeakPolarHBondContact CE-OE1 3.21Å; K686-E690 HydrophobicContact CG-CG 4.46Å; K686-E690 WeakPolarHBondContact O-CB 3.44Å; K686-E690 WeakPolarHBondContact O-CG 3.34Å; K686-E690 PolarHBondContact O-N 3.47Å
687	Q	92.1	Very high	92.3	Very high	112 Å²	112	63.2 Å²	63.2	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-46.4	176.7	-177.4	173.7	6.7	0	0	111.3	N683 S684 E685 L689 E690 E691	N683-Q687 PolarHBondContact O-N 2.95Å; S684-Q687 PolarHBondContact O-N 3.46Å; E685-Q687 VanDerWaalsContact C-N 3.3Å; E685-Q687 PolarHBondContact O-N 2.84Å; Q687-L689 PolarHBondContact O-N 2.98Å; Q687-E690 PolarHBondContact O-N 3.42Å; Q687-E691 HydrophobicContact CG-CG 4.34Å; Q687-E691 VanDerWaalsContact CG-OE1 3.22Å; Q687-E691 WeakPolarHBondContact CG-OE1 3.28Å; Q687-E691 PolarHBondContact NE2-OE1 3.02Å; Q687-E691 WeakPolarHBondContact O-CB 3.46Å; Q687-E691 VanDerWaalsContact O-CG 3.29Å; Q687-E691 WeakPolarHBondContact O-CG 3.43Å; Q687-E691 PolarHBondContact O-N 3.19Å
688	R	96.1	Very high	92.2	Very high	97 Å²	97	69 Å²	69	37%	0.366	32%	0.32	S	S	.	.	H	α-helix	trans	-56.6	-47.5	177	-173.2	-174.6	66.9	72.5	2.6	111.9	S684 E685 E691 K692 F763	S684-R688 PolarHBondContact O-N 3.41Å; E685-R688 WeakPolarHBondContact O-CB 3.38Å; E685-R688 PolarHBondContact O-N 3.01Å; E685-R688 IonicContact OE1-NE 3.89Å; E685-R688 PolarHBondContact OE1-NE 3.46Å; E685-R688 IonicContact OE2-CZ 2.79Å; E685-R688 IonicContact OE2-NE 2.73Å; E685-R688 PolarHBondContact OE2-NE 3.02Å; E685-R688 IonicContact OE2-NH2 3.71Å; E685-R688 PolarHBondContact OE2-NH2 3Å; R688-E691 PolarHBondContact O-N 2.96Å; R688-K692 WeakPolarHBondContact O-CB 3.43Å; R688-K692 PolarHBondContact O-N 3.25Å; R688-F763 PolarHBondContact NH1-OXT 3.33Å; R688-F763 PolarHBondContact NH2-OXT 3.38Å
689	L	95.6	Very high	92.1	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-48.6	178.6	-70.2	177.1	0	0	0	112.3	L447 R668 P669 D670 E685 K686 Q687 E691 K692 Q693 F763	L447-L689 HydrophobicContact CD1-CB 4.25Å; L447-L689 HydrophobicContact CD1-CD1 4.43Å; L447-L689 HydrophobicContact CD1-CD2 4.05Å; L447-L689 HydrophobicContact CD1-CG 4.5Å; L447-L689 HydrophobicContact CD2-CB 4.44Å; R668-L689 HydrophobicContact CG-CD1 4.39Å; P669-L689 HydrophobicContact CG-CD1 4.14Å; D670-L689 HydrophobicContact CB-CD1 4.18Å; D670-L689 VanDerWaalsContact CG-CD1 3.47Å; D670-L689 VanDerWaalsContact OD1-CD1 3.23Å; D670-L689 WeakPolarHBondContact OD1-CD1 3.47Å; E685-L689 VanDerWaalsContact O-CG 3.28Å; E685-L689 WeakPolarHBondContact O-CG 3.46Å; E685-L689 PolarHBondContact O-N 3.45Å; K686-L689 PolarHBondContact O-N 3.31Å; Q687-L689 PolarHBondContact O-N 2.98Å; L689-E691 VanDerWaalsContact C-N 3.32Å; L689-E691 PolarHBondContact O-N 2.8Å; L689-K692 PolarHBondContact O-N 2.82Å; L689-Q693 PolarHBondContact O-N 2.93Å; L689-F763 VanDerWaalsContact CD2-C 3.46Å; L689-F763 VanDerWaalsContact CD2-CA 3.45Å; L689-F763 HydrophobicContact CD2-CB 4.17Å; L689-F763 HydrophobicContact CD2-CD1 4.36Å; L689-F763 WeakPolarHBondContact CD2-OXT 3.4Å
690	E	92	Very high	92	Very high	42 Å²	42	73.6 Å²	73.6	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-38	179	-72.8	-176.1	-177.3	0	0	111.8	K686 Q687 R694	K686-E690 VanDerWaalsContact CE-OE1 3.28Å; K686-E690 WeakPolarHBondContact CE-OE1 3.21Å; K686-E690 HydrophobicContact CG-CG 4.46Å; K686-E690 WeakPolarHBondContact O-CB 3.44Å; K686-E690 WeakPolarHBondContact O-CG 3.34Å; K686-E690 PolarHBondContact O-N 3.47Å; Q687-E690 PolarHBondContact O-N 3.42Å; E690-R694 WeakPolarHBondContact O-CB 3.46Å; E690-R694 WeakPolarHBondContact O-CG 3.37Å; E690-R694 PolarHBondContact O-N 3.26Å; E690-R694 IonicContact OE2-CZ 3.93Å; E690-R694 IonicContact OE2-NH1 2.78Å; E690-R694 IonicContact OE2-NH2 2.74Å; E690-R694 PolarHBondContact OE2-NH2 2.78Å
691	E	93.2	Very high	91.9	Very high	96 Å²	96	71.6 Å²	71.6	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-42.6	175.5	-74.3	176.3	-172	0	0	112.4	Q687 R688 L689 Q693 R694 A695	Q687-E691 HydrophobicContact CG-CG 4.34Å; Q687-E691 VanDerWaalsContact CG-OE1 3.22Å; Q687-E691 WeakPolarHBondContact CG-OE1 3.28Å; Q687-E691 PolarHBondContact NE2-OE1 3.02Å; Q687-E691 WeakPolarHBondContact O-CB 3.46Å; Q687-E691 VanDerWaalsContact O-CG 3.29Å; Q687-E691 WeakPolarHBondContact O-CG 3.43Å; Q687-E691 PolarHBondContact O-N 3.19Å; R688-E691 PolarHBondContact O-N 2.96Å; L689-E691 VanDerWaalsContact C-N 3.32Å; L689-E691 PolarHBondContact O-N 2.8Å; E691-Q693 VanDerWaalsContact C-N 3.33Å; E691-Q693 PolarHBondContact O-N 2.85Å; E691-R694 PolarHBondContact O-N 2.85Å; E691-A695 WeakPolarHBondContact O-CB 3.42Å; E691-A695 PolarHBondContact O-N 2.8Å
692	K	94.9	Very high	91.5	Very high	66 Å²	66	69.6 Å²	69.6	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-55.2	-49.7	172.8	-171.4	-174.3	-171.2	-173.8	0	110.3	R688 L689 A695 V696 E761 F763	R688-K692 WeakPolarHBondContact O-CB 3.43Å; R688-K692 PolarHBondContact O-N 3.25Å; L689-K692 PolarHBondContact O-N 2.82Å; K692-A695 PolarHBondContact O-N 3.45Å; K692-V696 WeakPolarHBondContact O-CG2 3.49Å; K692-V696 PolarHBondContact O-N 2.99Å; K692-E761 PolarHBondContact NZ-O 2.92Å; K692-F763 PolarHBondContact NZ-O 3.45Å
693	Q	92.8	Very high	91.1	Very high	36 Å²	36	74 Å²	74	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-43.7	178.1	-179.5	163.8	-66.6	0	0	112.8	L447 H471 L689 E691 A695 V696 R697	L447-Q693 HydrophobicContact CD2-CB 4.48Å; L447-Q693 VanDerWaalsContact CD2-OE1 3.3Å; H471-Q693 PolarHBondContact CD2-NE2 2.76Å; H471-Q693 VanDerWaalsContact CD2-NE2 3.33Å; H471-Q693 PolarHBondContact CE1-NE2 3.17Å; H471-Q693 PolarHBondContact ND1-NE2 2.85Å; H471-Q693 PolarHBondContact NE2-NE2 3.41Å; L689-Q693 PolarHBondContact O-N 2.93Å; E691-Q693 VanDerWaalsContact C-N 3.33Å; E691-Q693 PolarHBondContact O-N 2.85Å; Q693-A695 VanDerWaalsContact C-N 3.27Å; Q693-A695 PolarHBondContact O-N 2.81Å; Q693-V696 PolarHBondContact O-N 2.91Å; Q693-R697 WeakPolarHBondContact O-CB 3.34Å; Q693-R697 PolarHBondContact O-N 2.87Å
694	R	91.2	Very high	90.8	Very high	97 Å²	97	72.8 Å²	72.8	37%	0.366	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-35.1	175.9	-74.2	171.3	-164.8	132.2	7.5	112.1	E690 E691 R698	E690-R694 WeakPolarHBondContact O-CB 3.46Å; E690-R694 WeakPolarHBondContact O-CG 3.37Å; E690-R694 PolarHBondContact O-N 3.26Å; E690-R694 IonicContact OE2-CZ 3.93Å; E690-R694 IonicContact OE2-NH1 2.78Å; E690-R694 IonicContact OE2-NH2 2.74Å; E690-R694 PolarHBondContact OE2-NH2 2.78Å; E691-R694 PolarHBondContact O-N 2.85Å; R694-R698 WeakPolarHBondContact O-CG 3.23Å; R694-R698 PolarHBondContact O-N 3.11Å; R694-R698 PolarHBondContact O-NE 3.34Å
695	A	92.4	Very high	90.2	Very high	40 Å²	40	72.9 Å²	72.9	33%	0.331	34%	0.337	S	S	.	.	H	α-helix	trans	-68.6	-45.5	176.5	0	0	0	0	0	111.9	E691 K692 Q693 R697 R698 R699	E691-A695 WeakPolarHBondContact O-CB 3.42Å; E691-A695 PolarHBondContact O-N 2.8Å; K692-A695 PolarHBondContact O-N 3.45Å; Q693-A695 VanDerWaalsContact C-N 3.27Å; Q693-A695 PolarHBondContact O-N 2.81Å; A695-R697 VanDerWaalsContact C-N 3.32Å; A695-R697 PolarHBondContact O-N 2.89Å; A695-R698 PolarHBondContact O-N 2.79Å; A695-R699 PolarHBondContact O-N 2.87Å
696	V	90.4	Very high	89.5	Confident	54 Å²	54	74.8 Å²	74.8	33%	0.327	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-42.1	174.9	174.3	0	0	0	0	111	K692 Q693 R699 R700	K692-V696 WeakPolarHBondContact O-CG2 3.49Å; K692-V696 PolarHBondContact O-N 2.99Å; Q693-V696 PolarHBondContact O-N 2.91Å; V696-R699 PolarHBondContact O-N 3.44Å; V696-R700 WeakPolarHBondContact O-CG 3.47Å; V696-R700 PolarHBondContact O-N 2.75Å
697	R	89.2	Confident	88.6	Confident	92 Å²	92	74.6 Å²	74.6	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-49.3	176.7	-165.2	-168.7	75.8	-153.3	-3.4	112.1	H472 Q693 A695 R699 R700 E701	H472-R697 PolarHBondContact NE2-NH1 3.03Å; Q693-R697 WeakPolarHBondContact O-CB 3.34Å; Q693-R697 PolarHBondContact O-N 2.87Å; A695-R697 VanDerWaalsContact C-N 3.32Å; A695-R697 PolarHBondContact O-N 2.89Å; R697-R699 VanDerWaalsContact C-N 3.26Å; R697-R699 PolarHBondContact O-N 3.35Å; R697-R700 PolarHBondContact O-N 2.75Å; R697-E701 VanDerWaalsContact CD-OE1 3.26Å; R697-E701 WeakPolarHBondContact CD-OE1 3.43Å; R697-E701 HydrophobicContact CG-CG 4.46Å; R697-E701 WeakPolarHBondContact CG-OE1 3.45Å; R697-E701 IonicContact CZ-OE1 2.72Å; R697-E701 IonicContact NE-OE1 3.66Å; R697-E701 PolarHBondContact NE-OE1 2.91Å; R697-E701 IonicContact NE-OE2 2.76Å; R697-E701 WeakPolarHBondContact O-CG 3.35Å; R697-E701 PolarHBondContact O-N 2.92Å
698	R	89.9	Confident	87.7	Confident	161 Å²	161	74.5 Å²	74.5	61%	0.608	35%	0.353	S	S	*	.	H	α-helix	trans	-59.5	-37.2	177.6	-78.2	-175.3	-69.7	157.8	-3.7	112.4	R694 A695 A702	R694-R698 WeakPolarHBondContact O-CG 3.23Å; R694-R698 PolarHBondContact O-N 3.11Å; R694-R698 PolarHBondContact O-NE 3.34Å; A695-R698 PolarHBondContact O-N 2.79Å; R698-A702 WeakPolarHBondContact O-CB 3.46Å; R698-A702 PolarHBondContact O-N 2.91Å
699	R	88	Confident	86.4	Confident	164 Å²	164	75.1 Å²	75.1	62%	0.619	36%	0.363	S	S	*	.	H	α-helix	trans	-64	-48.2	175.4	-171.5	-173.3	-60.2	166.2	1.6	111.4	A695 V696 R697 E701 A702 E703	A695-R699 PolarHBondContact O-N 2.87Å; V696-R699 PolarHBondContact O-N 3.44Å; R697-R699 VanDerWaalsContact C-N 3.26Å; R697-R699 PolarHBondContact O-N 3.35Å; R699-E701 PolarHBondContact O-N 3.19Å; R699-A702 WeakPolarHBondContact O-CB 3.45Å; R699-A702 PolarHBondContact O-N 2.92Å; R699-E703 WeakPolarHBondContact CD-OE1 3.29Å; R699-E703 WeakPolarHBondContact CG-OE1 3.45Å; R699-E703 WeakPolarHBondContact O-CG 3.38Å; R699-E703 PolarHBondContact O-N 2.99Å
700	R	86.4	Confident	84.7	Confident	78 Å²	78	79.5 Å²	79.5	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176.6	-74.1	-179.2	-172.8	165.6	1.2	112.7	L448 V696 R697 A702 E703 A704 Y720	L448-R700 VanDerWaalsContact CD2-NH1 3.33Å; V696-R700 WeakPolarHBondContact O-CG 3.47Å; V696-R700 PolarHBondContact O-N 2.75Å; R697-R700 PolarHBondContact O-N 2.75Å; R700-A702 VanDerWaalsContact C-N 3.33Å; R700-A702 PolarHBondContact O-N 2.94Å; R700-E703 PolarHBondContact O-N 2.94Å; R700-A704 WeakPolarHBondContact O-CB 3.24Å; R700-A704 PolarHBondContact O-N 3.15Å; R700-Y720 WeakPolarHBondContact CB-OH 3.37Å; R700-Y720 PolarHBondContact O-OH 3.35Å
701	E	86.1	Confident	82.9	Confident	92 Å²	92	82.6 Å²	82.6	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-62.7	-39	175.2	-72.6	165.9	-176.4	0	0	111.7	R697 R699 T705	R697-E701 VanDerWaalsContact CD-OE1 3.26Å; R697-E701 WeakPolarHBondContact CD-OE1 3.43Å; R697-E701 HydrophobicContact CG-CG 4.46Å; R697-E701 WeakPolarHBondContact CG-OE1 3.45Å; R697-E701 IonicContact CZ-OE1 2.72Å; R697-E701 IonicContact NE-OE1 3.66Å; R697-E701 PolarHBondContact NE-OE1 2.91Å; R697-E701 IonicContact NE-OE2 2.76Å; R697-E701 WeakPolarHBondContact O-CG 3.35Å; R697-E701 PolarHBondContact O-N 2.92Å; R699-E701 PolarHBondContact O-N 3.19Å; E701-T705 PolarHBondContact O-N 3.35Å; E701-T705 VanDerWaalsContact O-N 3.1Å; E701-T705 PolarHBondContact O-OG1 3.3Å
702	A	85.4	Confident	81	Confident	47 Å²	47	83.3 Å²	83.3	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-48.6	174	0	0	0	0	0	111.7	R698 R699 R700 A704 T705 D706	R698-A702 WeakPolarHBondContact O-CB 3.46Å; R698-A702 PolarHBondContact O-N 2.91Å; R699-A702 WeakPolarHBondContact O-CB 3.45Å; R699-A702 PolarHBondContact O-N 2.92Å; R700-A702 VanDerWaalsContact C-N 3.33Å; R700-A702 PolarHBondContact O-N 2.94Å; A702-A704 VanDerWaalsContact C-N 3.27Å; A702-A704 PolarHBondContact O-N 3.11Å; A702-T705 WeakPolarHBondContact O-CB 3.45Å; A702-T705 PolarHBondContact O-N 2.76Å; A702-D706 PolarHBondContact O-N 2.93Å
703	E	85.1	Confident	79	Confident	94 Å²	94	85.8 Å²	85.8	44%	0.439	43%	0.429	S	S	.	.	H	α-helix	trans	-57.7	-38.4	176.3	-71.7	165.8	-174.6	0	0	112.1	R699 R700 A707 Y720	R699-E703 WeakPolarHBondContact CD-OE1 3.29Å; R699-E703 WeakPolarHBondContact CG-OE1 3.45Å; R699-E703 WeakPolarHBondContact O-CG 3.38Å; R699-E703 PolarHBondContact O-N 2.99Å; R700-E703 PolarHBondContact O-N 2.94Å; E703-A707 WeakPolarHBondContact O-CB 3.29Å; E703-A707 PolarHBondContact O-N 3.02Å; E703-Y720 HydrophobicContact CB-CD2 4.48Å; E703-Y720 HydrophobicContact CB-CE2 4.07Å
704	A	82.6	Confident	76.9	Confident	20 Å²	20	95.4 Å²	95.4	17%	0.165	47%	0.466	C	S	.	.	H	α-helix	trans	-66.5	-37.9	174.6	0	0	0	0	0	112.7	R700 A702 L708 Y720	R700-A704 WeakPolarHBondContact O-CB 3.24Å; R700-A704 PolarHBondContact O-N 3.15Å; A702-A704 VanDerWaalsContact C-N 3.27Å; A702-A704 PolarHBondContact O-N 3.11Å; A704-L708 VanDerWaalsContact O-CG 3.3Å; A704-L708 WeakPolarHBondContact O-CG 3.37Å; A704-L708 PolarHBondContact O-N 3.29Å; A704-Y720 HydrophobicContact CB-CD1 3.71Å; A704-Y720 HydrophobicContact CB-CD2 4.02Å; A704-Y720 HydrophobicContact CB-CE1 3.54Å; A704-Y720 HydrophobicContact CB-CE2 3.87Å; A704-Y720 HydrophobicContact CB-CG 3.95Å
705	T	82.3	Confident	75.1	Confident	75 Å²	75	98.6 Å²	98.6	46%	0.46	49%	0.49	S	S	.	.	H	α-helix	trans	-70.8	-44.5	178.4	-52.4	0	0	0	0	110.3	E701 A702 A707 L708 D709	E701-T705 PolarHBondContact O-N 3.35Å; E701-T705 VanDerWaalsContact O-N 3.1Å; E701-T705 PolarHBondContact O-OG1 3.3Å; A702-T705 WeakPolarHBondContact O-CB 3.45Å; A702-T705 PolarHBondContact O-N 2.76Å; T705-A707 VanDerWaalsContact C-N 3.32Å; T705-A707 PolarHBondContact O-N 3.31Å; T705-L708 PolarHBondContact O-N 2.89Å; T705-D709 PolarHBondContact O-N 2.87Å
706	D	80.5	Confident	73.2	Confident	91 Å²	91	99.2 Å²	99.2	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-60.8	-40.8	177	-66.7	-17	0	0	0	111.3	A702 L708 D709 E710	A702-D706 PolarHBondContact O-N 2.93Å; D706-L708 PolarHBondContact O-N 3.04Å; D706-D709 PolarHBondContact O-N 3.32Å; D706-E710 WeakPolarHBondContact O-CB 3.46Å; D706-E710 WeakPolarHBondContact O-CG 3.41Å; D706-E710 PolarHBondContact O-N 3.17Å
707	A	75	Confident	71.2	Confident	13 Å²	13	99.9 Å²	99.9	11%	0.107	51%	0.509	C	S	.	.	H	α-helix	trans	-65.1	-36.2	176.7	0	0	0	0	0	113.3	E703 T705 E711	E703-A707 WeakPolarHBondContact O-CB 3.29Å; E703-A707 PolarHBondContact O-N 3.02Å; T705-A707 VanDerWaalsContact C-N 3.32Å; T705-A707 PolarHBondContact O-N 3.31Å; A707-E711 PolarHBondContact O-N 2.69Å
708	L	72.7	Confident	69.5	Low	110 Å²	110	104.2 Å²	104.2	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-69.2	-35.1	174.4	-71.1	167.4	0	0	0	112	A704 T705 D706 C712	A704-L708 VanDerWaalsContact O-CG 3.3Å; A704-L708 WeakPolarHBondContact O-CG 3.37Å; A704-L708 PolarHBondContact O-N 3.29Å; T705-L708 PolarHBondContact O-N 2.89Å; D706-L708 PolarHBondContact O-N 3.04Å; L708-C712 PolarHBondContact O-SG 3.37Å; L708-C712 VanDerWaalsContact O-SG 3.34Å
709	D	68	Low	68	Low	110 Å²	110	104.3 Å²	104.3	59%	0.588	53%	0.533	S	S	*	.	H	α-helix	trans	-73.5	-35	176.1	-74.4	-15.2	0	0	0	111.6	T705 D706 C712	T705-D709 PolarHBondContact O-N 2.87Å; D706-D709 PolarHBondContact O-N 3.32Å; D709-C712 VanDerWaalsContact O-CB 3.29Å; D709-C712 WeakPolarHBondContact O-CB 3.36Å; D709-C712 PolarHBondContact O-N 2.87Å
710	E	61.2	Low	66.9	Low	92 Å²	92	100.9 Å²	100.9	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-73.7	-28.9	175.2	-74.6	-175.5	179.5	0	0	113.5	D706 C712 D713	D706-E710 WeakPolarHBondContact O-CB 3.46Å; D706-E710 WeakPolarHBondContact O-CG 3.41Å; D706-E710 PolarHBondContact O-N 3.17Å; E710-C712 PolarHBondContact O-N 2.84Å; E710-D713 PolarHBondContact O-N 2.85Å
711	E	53.8	Low	66	Low	107 Å²	107	104 Å²	104	50%	0.5	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.5	170.9	-110.2	-174.6	174.7	0	0	113	A707 D713	A707-E711 PolarHBondContact O-N 2.69Å; E711-D713 PolarHBondContact O-N 3.4Å
712	C	53.2	Low	65.6	Low	110 Å²	110	101.5 Å²	101.5	74%	0.743	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.8	172.9	-54.6	0	0	0	0	113	L708 D709 E710	L708-C712 PolarHBondContact O-SG 3.37Å; L708-C712 VanDerWaalsContact O-SG 3.34Å; D709-C712 VanDerWaalsContact O-CB 3.29Å; D709-C712 WeakPolarHBondContact O-CB 3.36Å; D709-C712 PolarHBondContact O-N 2.87Å; E710-C712 PolarHBondContact O-N 2.84Å
713	D	52	Low	65.7	Low	119 Å²	119	102.6 Å²	102.6	64%	0.636	53%	0.532	S	S	*	.	S	Bend	trans	-99.9	119.1	173.1	-150	1.1	0	0	0	109.3	E710 E711 D715	E710-D713 PolarHBondContact O-N 2.85Å; E711-D713 PolarHBondContact O-N 3.4Å; D713-D715 PolarHBondContact O-N 2.82Å
714	Y	49.8	Very low	66	Low	238 Å²	238	104 Å²	104	93%	0.933	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	7.5	-157.5	-158.6	-100	0	0	0	116
715	D	53.3	Low	66.6	Low	164 Å²	164	103.4 Å²	103.4	88%	0.877	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	6.5	-169.6	-150.3	21.1	0	0	0	115.6	D713	D713-D715 PolarHBondContact O-N 2.82Å
716	S	52.1	Low	67.3	Low	52 Å²	52	101.8 Å²	101.8	36%	0.364	52%	0.522	S	S	.	.			trans	-136.3	69.2	176.3	60.9	0	0	0	0	113.3	R718	S716-R718 VanDerWaalsContact C-N 3.33Å; S716-R718 PolarHBondContact O-N 2.57Å
717	G	48.7	Very low	68.1	Low	68 Å²	68	97.7 Å²	97.7	70%	0.701	50%	0.5	S	S	*	.			trans	-68.7	82.5	171.9	0	0	0	0	0	112.6
718	R	54.3	Low	69.1	Low	184 Å²	184	97.2 Å²	97.2	69%	0.694	50%	0.495	S	S	*	.			trans	-86.8	99.2	162.6	-79.1	-174.5	178.1	179.3	3.1	108.5	S716 Y720	S716-R718 VanDerWaalsContact C-N 3.33Å; S716-R718 PolarHBondContact O-N 2.57Å; R718-Y720 PolarHBondContact O-N 3.33Å
719	E	56.9	Low	70.2	Confident	163 Å²	163	95.4 Å²	95.4	76%	0.762	48%	0.483	S	S	*	.			trans	-61.8	120.6	167.8	-72.3	-177.1	173.2	0	0	109.2	E721	E719-E721 PolarHBondContact O-N 3.28Å
720	Y	66.3	Low	71.3	Confident	91 Å²	91	96.2 Å²	96.2	36%	0.357	48%	0.484	S	S	.	.			trans	-73.4	106.6	172.8	173	-97.5	0	0	0	109.7	R700 E703 A704 R718 G722	R700-Y720 WeakPolarHBondContact CB-OH 3.37Å; R700-Y720 PolarHBondContact O-OH 3.35Å; E703-Y720 HydrophobicContact CB-CD2 4.48Å; E703-Y720 HydrophobicContact CB-CE2 4.07Å; A704-Y720 HydrophobicContact CB-CD1 3.71Å; A704-Y720 HydrophobicContact CB-CD2 4.02Å; A704-Y720 HydrophobicContact CB-CE1 3.54Å; A704-Y720 HydrophobicContact CB-CE2 3.87Å; A704-Y720 HydrophobicContact CB-CG 3.95Å; R718-Y720 PolarHBondContact O-N 3.33Å; Y720-G722 PolarHBondContact O-N 2.85Å
721	E	66.7	Low	72.7	Confident	144 Å²	144	99 Å²	99	67%	0.673	49%	0.49	S	S	*	.			trans	-76.5	111.5	169.3	-72.3	-169.9	170.3	0	0	109.7	E719 Q724	E719-E721 PolarHBondContact O-N 3.28Å; E721-Q724 PolarHBondContact OE2-NE2 2.85Å
722	G	77.8	Confident	74.4	Confident	40 Å²	40	102.8 Å²	102.8	41%	0.412	50%	0.5	S	S	.	.			trans	-60	173.1	172.7	0	0	0	0	0	112.9	Y720 Q724	Y720-G722 PolarHBondContact O-N 2.85Å; G722-Q724 PolarHBondContact O-N 3.26Å
723	Y	87.8	Confident	75.9	Confident	70 Å²	70	98 Å²	98	28%	0.275	47%	0.467	S	S	.	.			trans	-54.6	125.9	178.4	174	-100	0	0	0	111.7	L448 G449 E467 P725	L448-Y723 HydrophobicContact CD1-CD1 3.73Å; L448-Y723 HydrophobicContact CD1-CE1 3.51Å; L448-Y723 HydrophobicContact CD1-CG 4.49Å; L448-Y723 HydrophobicContact CD2-CD1 3.93Å; L448-Y723 HydrophobicContact CD2-CD2 4.1Å; L448-Y723 HydrophobicContact CD2-CE1 4.23Å; L448-Y723 HydrophobicContact CD2-CE2 4.36Å; L448-Y723 HydrophobicContact CD2-CG 3.86Å; L448-Y723 HydrophobicContact CG-CD1 3.96Å; L448-Y723 HydrophobicContact CG-CD2 4.41Å; L448-Y723 HydrophobicContact CG-CE1 3.75Å; L448-Y723 HydrophobicContact CG-CE2 4.19Å; L448-Y723 HydrophobicContact CG-CG 4.28Å; G449-Y723 WeakPolarHBondContact CA-OH 3.25Å; G449-Y723 PolarHBondContact N-OH 2.91Å; E467-Y723 PolarHBondContact OE1-OH 3.29Å; Y723-P725 HydrophobicContact CE1-CG 4.09Å
724	Q	91.1	Very high	77.5	Confident	122 Å²	122	98.1 Å²	98.1	57%	0.57	48%	0.477	S	S	*	.			trans	-108.5	125.5	174.4	-64.1	-172.4	6.2	0	0	110.3	E721 G722	E721-Q724 PolarHBondContact OE2-NE2 2.85Å; G722-Q724 PolarHBondContact O-N 3.26Å
725	P	94.8	Very high	79.1	Confident	8 Å²	8	90.3 Å²	90.3	5%	0.052	45%	0.45	C	S	.	.			trans	-59.3	144.9	172.6	-25.9	36.3	0	0	0	112.9	E467 V469 Y723 F728 F741 K744	E467-P725 VanDerWaalsContact OE1-CA 3.26Å; E467-P725 WeakPolarHBondContact OE1-CA 3.44Å; E467-P725 VanDerWaalsContact OE1-CB 3.31Å; E467-P725 WeakPolarHBondContact OE1-CB 3.42Å; V469-P725 HydrophobicContact CB-CB 4.27Å; V469-P725 HydrophobicContact CB-CG 3.64Å; V469-P725 HydrophobicContact CG1-CB 3.84Å; V469-P725 HydrophobicContact CG1-CG 3.75Å; Y723-P725 HydrophobicContact CE1-CG 4.09Å; P725-F728 HydrophobicContact CB-CB 4.31Å; P725-F741 HydrophobicContact CG-CD1 4.01Å; P725-F741 HydrophobicContact CG-CE1 3.56Å; P725-F741 HydrophobicContact CG-CZ 4.2Å; P725-K744 PolarHBondContact O-NZ 2.87Å; P725-K744 VanDerWaalsContact O-NZ 3.08Å
726	L	96.2	Very high	80.5	Confident	42 Å²	42	84.3 Å²	84.3	22%	0.22	42%	0.42	C	S	.	.	S	Bend	trans	-76	-35.6	-172.9	-174	59.4	0	0	0	111.9	E467 K744 M758	E467-L726 PolarHBondContact OE1-N 3.12Å; E467-L726 PolarHBondContact OE2-N 3.23Å; L726-K744 WeakPolarHBondContact O-CE 3.37Å; L726-K744 PolarHBondContact O-NZ 3.48Å; L726-M758 HydrophobicContact CD1-CB 4.33Å; L726-M758 HydrophobicContact CD2-CB 4.34Å; L726-M758 WeakPolarHBondContact CD2-O 3.28Å
727	W	97.4	Very high	82	Confident	5 Å²	5	83.4 Å²	83.4	2%	0.019	42%	0.419	C	S	.	.	S	Bend	trans	-113.8	-10.9	-171.5	-49.6	112.6	0	0	0	113.8	L465 E467 Y743 K744 G746 Y747 W756 M758	L465-W727 HydrophobicContact CD2-CB 3.98Å; L465-W727 HydrophobicContact CD2-CG 4.36Å; E467-W727 WeakPolarHBondContact OE2-CB 3.23Å; E467-W727 PolarHBondContact OE2-N 2.99Å; W727-Y743 HydrophobicContact CB-CE2 4.36Å; W727-Y743 VanDerWaalsContact O-CD2 3.27Å; W727-Y743 WeakPolarHBondContact O-CD2 3.43Å; W727-K744 PolarHBondContact O-N 3.29Å; W727-G746 VanDerWaalsContact CZ3-C 3.47Å; W727-Y747 AromaticContact CD1-CD2 3.86Å; W727-Y747 AromaticContact CD2-CD2 3.66Å; W727-Y747 HydrophobicContact CD2-CD2 3.66Å; W727-Y747 HydrophobicContact CD2-CG 4.25Å; W727-Y747 AromaticContact CE2-CD2 3.48Å; W727-Y747 VanDerWaalsContact CE2-CD2 3.48Å; W727-Y747 HydrophobicContact CE3-CD2 4.28Å; W727-Y747 HydrophobicContact CE3-CG 4.5Å; W727-Y747 AromaticContact CG-CD2 3.86Å; W727-Y747 HydrophobicContact CG-CD2 3.86Å; W727-Y747 HydrophobicContact CH2-CD2 4.47Å; W727-Y747 AromaticContact CZ2-CD2 3.91Å; W727-Y747 HydrophobicContact CZ2-CD2 3.91Å; W727-Y747 VanDerWaalsContact CZ3-CA 3.48Å; W727-Y747 AromaticContact NE1-CD2 3.62Å; W727-W756 HydrophobicContact CH2-CZ3 4.28Å; W727-W756 HydrophobicContact CZ2-CE3 4.39Å; W727-W756 HydrophobicContact CZ2-CZ3 4.09Å; W727-M758 HydrophobicContact CH2-CE 4.16Å; W727-M758 HydrophobicContact CZ3-CE 4.23Å
728	F	97.3	Very high	83.7	Confident	2 Å²	2	83.3 Å²	83.3	1%	0.009	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.7	178.4	-65.3	-101.6	0	0	0	110.8	L465 E467 V469 A477 H479 P725 F741 V742 Y743	L465-F728 HydrophobicContact CD2-CE2 4.15Å; L465-F728 HydrophobicContact CD2-CZ 4.48Å; L465-F728 HydrophobicContact CG-CE2 4.23Å; L465-F728 HydrophobicContact CG-CZ 4.43Å; E467-F728 HydrophobicContact CB-CD2 3.63Å; E467-F728 HydrophobicContact CB-CE2 3.61Å; E467-F728 WeakPolarHBondContact OE2-CD2 3.43Å; V469-F728 HydrophobicContact CG1-CB 4.14Å; V469-F728 HydrophobicContact CG1-CD2 4.43Å; V469-F728 HydrophobicContact CG1-CG 4.37Å; A477-F728 HydrophobicContact CB-CB 4.42Å; A477-F728 HydrophobicContact CB-CD1 3.45Å; A477-F728 VanDerWaalsContact CB-CD1 3.45Å; A477-F728 HydrophobicContact CB-CD2 4.13Å; A477-F728 HydrophobicContact CB-CE1 3.6Å; A477-F728 HydrophobicContact CB-CE2 4.28Å; A477-F728 HydrophobicContact CB-CG 3.74Å; A477-F728 HydrophobicContact CB-CZ 4.03Å; H479-F728 HydrophobicContact CB-CE1 3.92Å; H479-F728 HydrophobicContact CB-CZ 4.12Å; P725-F728 HydrophobicContact CB-CB 4.31Å; F728-F741 HydrophobicContact CB-CB 4.06Å; F728-F741 HydrophobicContact CB-CD1 4.15Å; F728-F741 HydrophobicContact CD1-CB 4.42Å; F728-V742 CarbonylContact C-O 3.54Å; F728-V742 WeakPolarHBondContact CA-O 3.07Å; F728-Y743 HydrophobicContact CZ-CD2 4.47Å
729	H	94.4	Very high	85.2	Confident	73 Å²	73	77.7 Å²	77.7	34%	0.338	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.6	171	68.7	-72.9	0	0	0	109.6	F741 V742 K744	H729-F741 CarbonylContact O-C 3.59Å; H729-F741 WeakPolarHBondContact O-CA 3.27Å; H729-V742 PolarHBondContact N-O 2.96Å; H729-V742 PolarHBondContact ND1-O 2.86Å; H729-V742 PolarHBondContact O-N 3.37Å; H729-K744 HydrophobicContact CB-CB 4.45Å; H729-K744 HydrophobicContact CB-CD 4.28Å; H729-K744 VanDerWaalsContact ND1-CB 3.3Å; H729-K744 WeakPolarHBondContact ND1-CB 3.35Å
730	Q	92	Very high	86.7	Confident	127 Å²	127	70.7 Å²	70.7	59%	0.593	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.4	178.7	-165.3	172.6	22.6	0	0	109.8	T739 F741	Q730-T739 VanDerWaalsContact CD-CG2 3.48Å; Q730-T739 HydrophobicContact CG-CG2 3.22Å; Q730-F741 HydrophobicContact CB-CD1 4.29Å; Q730-F741 HydrophobicContact CB-CE1 3.89Å; Q730-F741 HydrophobicContact CB-CZ 4.27Å; Q730-F741 HydrophobicContact CG-CZ 4.45Å
731	R	90.7	Very high	88	Confident	150 Å²	150	67.8 Å²	67.8	57%	0.566	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	135	178.7	-172.3	178.5	-174.3	-175.8	2.6	110.1	D733 N740 V742	R731-D733 PolarHBondContact O-N 3.46Å; R731-N740 PolarHBondContact N-O 2.86Å; R731-N740 PolarHBondContact O-N 3.29Å; R731-V742 HydrophobicContact CB-CG2 3.99Å
732	R	89.6	Confident	89.3	Confident	187 Å²	187	61.9 Å²	61.9	71%	0.706	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	118.8	169.8	-164.9	173.4	-174.4	-173.5	-0.5	109.8	G737 E738	R732-G737 PolarHBondContact NE-O 3.21Å; R732-G737 VanDerWaalsContact NE-O 3.13Å; R732-E738 CarbonylContact C-O 3.45Å; R732-E738 WeakPolarHBondContact CA-O 3.3Å
733	D	85.5	Confident	90.2	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.053	30%	0.303	C	S	.	.			trans	-72.7	129.2	177.1	-170.4	-91.5	0	0	0	109.8	R489 H512 R731 I735 T736 G737 E738	R489-D733 IonicContact CZ-OD2 3.56Å; R489-D733 IonicContact NH1-OD2 3.77Å; R489-D733 IonicContact NH2-OD2 2.71Å; R489-D733 PolarHBondContact NH2-OD2 3.37Å; H512-D733 IonicContact CE1-OD1 3.01Å; H512-D733 IonicContact CE1-OD2 3.23Å; H512-D733 PolarHBondContact CE1-OD2 3.49Å; R731-D733 PolarHBondContact O-N 3.46Å; D733-I735 VanDerWaalsContact C-N 3.26Å; D733-I735 PolarHBondContact O-N 3.29Å; D733-I735 WeakPolarHBondContact OD1-CA 3.15Å; D733-I735 VanDerWaalsContact OD1-CB 3.32Å; D733-I735 WeakPolarHBondContact OD1-CB 3.26Å; D733-I735 PolarHBondContact OD1-N 3.36Å; D733-T736 PolarHBondContact OD1-N 3Å; D733-T736 PolarHBondContact OD1-OG1 3.16Å; D733-G737 WeakPolarHBondContact O-CA 3.32Å; D733-G737 PolarHBondContact O-N 3.45Å; D733-E738 PolarHBondContact N-O 3Å
734	S	84.7	Confident	90.5	Very high	120 Å²	120	63.1 Å²	63.1	84%	0.839	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.6	-176.8	52.7	0	0	0	0	113.5
735	I	82.8	Confident	90.7	Very high	74 Å²	74	58.3 Å²	58.3	38%	0.379	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-51.7	-175.6	-67.7	165.7	0	0	0	109.9	H521 N552 D733	H521-I735 WeakPolarHBondContact CE1-CD1 3.23Å; H521-I735 WeakPolarHBondContact ND1-CD1 3.32Å; N552-I735 HydrophobicContact CB-CD1 4.35Å; N552-I735 HydrophobicContact CB-CG2 4.35Å; N552-I735 VanDerWaalsContact CG-CG2 3.48Å; N552-I735 WeakPolarHBondContact OD1-CG2 3.25Å; D733-I735 VanDerWaalsContact C-N 3.26Å; D733-I735 PolarHBondContact O-N 3.29Å; D733-I735 WeakPolarHBondContact OD1-CA 3.15Å; D733-I735 VanDerWaalsContact OD1-CB 3.32Å; D733-I735 WeakPolarHBondContact OD1-CB 3.26Å; D733-I735 PolarHBondContact OD1-N 3.36Å
736	T	82.8	Confident	90.8	Very high	39 Å²	39	59 Å²	59	24%	0.239	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-19.8	-179.9	64.9	0	0	0	0	112.7	A510 V523 D733 E738	A510-T736 HydrophobicContact CB-CG2 4.43Å; V523-T736 HydrophobicContact CG1-CG2 3.99Å; D733-T736 PolarHBondContact OD1-N 3Å; D733-T736 PolarHBondContact OD1-OG1 3.16Å; T736-E738 PolarHBondContact O-N 2.51Å; T736-E738 WeakPolarHBondContact OG1-CB 3.35Å; T736-E738 PolarHBondContact OG1-N 3.17Å
737	G	83.7	Confident	90.9	Very high	33 Å²	33	57 Å²	57	34%	0.34	29%	0.294	S	S	.	.			trans	73.4	-4.9	-172.6	0	0	0	0	0	114	R732 D733	R732-G737 PolarHBondContact NE-O 3.21Å; R732-G737 VanDerWaalsContact NE-O 3.13Å; D733-G737 WeakPolarHBondContact O-CA 3.32Å; D733-G737 PolarHBondContact O-N 3.45Å
738	E	85	Confident	90.9	Very high	66 Å²	66	57.1 Å²	57.1	31%	0.308	29%	0.294	S	S	.	.			trans	-76.8	156.6	178.6	-63.4	172.6	163.1	0	0	110.6	R525 R732 D733 T736	R525-E738 IonicContact CZ-OE1 2.88Å; R525-E738 IonicContact NE-OE1 2.95Å; R525-E738 VanDerWaalsContact NH2-CD 3.26Å; R525-E738 IonicContact NH2-OE1 2.67Å; R525-E738 PolarHBondContact NH2-OE1 3.12Å; R525-E738 IonicContact NH2-OE2 3.2Å; R525-E738 PolarHBondContact NH2-OE2 3.5Å; R732-E738 CarbonylContact C-O 3.45Å; R732-E738 WeakPolarHBondContact CA-O 3.3Å; D733-E738 PolarHBondContact N-O 3Å; T736-E738 PolarHBondContact O-N 2.51Å; T736-E738 WeakPolarHBondContact OG1-CB 3.35Å; T736-E738 PolarHBondContact OG1-N 3.17Å
739	T	86	Confident	90.8	Very high	66 Å²	66	61 Å²	61	41%	0.405	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.5	177.3	-55.7	0	0	0	0	108.4	Q730	Q730-T739 VanDerWaalsContact CD-CG2 3.48Å; Q730-T739 HydrophobicContact CG-CG2 3.22Å
740	N	88.8	Confident	91	Very high	16 Å²	16	57.5 Å²	57.5	9%	0.086	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.9	-172.5	-64.5	-6.6	0	0	0	111.7	E491 R731	E491-N740 WeakPolarHBondContact OE2-CA 3.44Å; R731-N740 PolarHBondContact N-O 2.86Å; R731-N740 PolarHBondContact O-N 3.29Å
741	F	92.8	Very high	91.2	Very high	30 Å²	30	53.2 Å²	53.2	13%	0.132	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.5	172.8	-76.1	-81.3	0	0	0	112.3	V469 A477 E491 P725 F728 H729 Q730	V469-F741 HydrophobicContact CB-CD1 4.22Å; V469-F741 HydrophobicContact CB-CD2 3.94Å; V469-F741 HydrophobicContact CB-CE1 4.33Å; V469-F741 HydrophobicContact CB-CE2 4.04Å; V469-F741 HydrophobicContact CB-CG 4.03Å; V469-F741 HydrophobicContact CB-CZ 4.23Å; V469-F741 HydrophobicContact CG1-CB 4.34Å; V469-F741 HydrophobicContact CG1-CD1 4.21Å; V469-F741 HydrophobicContact CG1-CD2 4.43Å; V469-F741 HydrophobicContact CG1-CG 4.06Å; V469-F741 HydrophobicContact CG2-CB 4.48Å; V469-F741 HydrophobicContact CG2-CD2 3.46Å; V469-F741 VanDerWaalsContact CG2-CD2 3.46Å; V469-F741 HydrophobicContact CG2-CE2 3.74Å; V469-F741 HydrophobicContact CG2-CG 3.93Å; V469-F741 HydrophobicContact CG2-CZ 4.43Å; A477-F741 HydrophobicContact CB-CB 3.7Å; E491-F741 VanDerWaalsContact OE2-CD2 3.31Å; E491-F741 WeakPolarHBondContact OE2-CD2 3.37Å; E491-F741 PolarHBondContact OE2-N 3.28Å; P725-F741 HydrophobicContact CG-CD1 4.01Å; P725-F741 HydrophobicContact CG-CE1 3.56Å; P725-F741 HydrophobicContact CG-CZ 4.2Å; F728-F741 HydrophobicContact CB-CB 4.06Å; F728-F741 HydrophobicContact CB-CD1 4.15Å; F728-F741 HydrophobicContact CD1-CB 4.42Å; H729-F741 CarbonylContact O-C 3.59Å; H729-F741 WeakPolarHBondContact O-CA 3.27Å; Q730-F741 HydrophobicContact CB-CD1 4.29Å; Q730-F741 HydrophobicContact CB-CE1 3.89Å; Q730-F741 HydrophobicContact CB-CZ 4.27Å; Q730-F741 HydrophobicContact CG-CZ 4.45Å
742	V	93.3	Very high	91.4	Very high	20 Å²	20	53 Å²	53	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	179.4	-175.4	0	0	0	0	109.7	F728 H729 R731 K744	F728-V742 CarbonylContact C-O 3.54Å; F728-V742 WeakPolarHBondContact CA-O 3.07Å; H729-V742 PolarHBondContact N-O 2.96Å; H729-V742 PolarHBondContact ND1-O 2.86Å; H729-V742 PolarHBondContact O-N 3.37Å; R731-V742 HydrophobicContact CB-CG2 3.99Å; V742-K744 PolarHBondContact O-N 3.08Å
743	Y	96.9	Very high	91.7	Very high	30 Å²	30	51.7 Å²	51.7	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	127.4	175.7	179.7	-119.1	0	0	0	110.3	L465 H479 W727 F728 G745 Y747 W748	L465-Y743 HydrophobicContact CD2-CD2 3.89Å; L465-Y743 HydrophobicContact CD2-CE2 3.53Å; H479-Y743 HydrophobicContact CB-CG 4.43Å; H479-Y743 VanDerWaalsContact CD2-CB 3.48Å; H479-Y743 WeakPolarHBondContact CD2-CB 3.34Å; H479-Y743 AromaticContact CD2-CD1 3.43Å; H479-Y743 VanDerWaalsContact CD2-CD1 3.43Å; H479-Y743 WeakPolarHBondContact CD2-CD1 3.23Å; H479-Y743 AromaticContact CD2-CG 3.61Å; H479-Y743 AromaticContact NE2-CD1 3.79Å; W727-Y743 HydrophobicContact CB-CE2 4.36Å; W727-Y743 VanDerWaalsContact O-CD2 3.27Å; W727-Y743 WeakPolarHBondContact O-CD2 3.43Å; F728-Y743 HydrophobicContact CZ-CD2 4.47Å; Y743-G745 VanDerWaalsContact CZ-CA 3.44Å; Y743-Y747 WeakPolarHBondContact OH-CB 3.35Å; Y743-Y747 PolarHBondContact OH-N 2.86Å; Y743-W748 AromaticContact CZ-CD1 3.81Å
744	K	95.6	Very high	92.2	Very high	106 Å²	106	58.8 Å²	58.8	46%	0.461	31%	0.309	S	S	.	.			trans	-99.6	-1.8	-175.3	79.6	-168.5	178	-161.8	0	114.1	P725 L726 W727 H729 V742	P725-K744 PolarHBondContact O-NZ 2.87Å; P725-K744 VanDerWaalsContact O-NZ 3.08Å; L726-K744 WeakPolarHBondContact O-CE 3.37Å; L726-K744 PolarHBondContact O-NZ 3.48Å; W727-K744 PolarHBondContact O-N 3.29Å; H729-K744 HydrophobicContact CB-CB 4.45Å; H729-K744 HydrophobicContact CB-CD 4.28Å; H729-K744 VanDerWaalsContact ND1-CB 3.3Å; H729-K744 WeakPolarHBondContact ND1-CB 3.35Å; V742-K744 PolarHBondContact O-N 3.08Å
745	G	95.3	Very high	92.7	Very high	21 Å²	21	56.4 Å²	56.4	22%	0.216	29%	0.287	C	S	.	.	S	Bend	trans	88.3	177.5	-170.7	0	0	0	0	0	112.6	Y743 Y747	Y743-G745 VanDerWaalsContact CZ-CA 3.44Å; G745-Y747 PolarHBondContact O-N 3.39Å
746	G	96.3	Very high	93.4	Very high	23 Å²	23	54.4 Å²	54.4	24%	0.237	27%	0.274	C	S	.	.			trans	97	-29.1	172.8	0	0	0	0	0	114.7	W727 E749 S750	W727-G746 VanDerWaalsContact CZ3-C 3.47Å; G746-E749 WeakPolarHBondContact CA-OE2 3.39Å; G746-E749 PolarHBondContact N-OE2 2.97Å; G746-S750 VanDerWaalsContact O-CB 3.24Å; G746-S750 WeakPolarHBondContact O-CB 3.41Å; G746-S750 PolarHBondContact O-N 2.88Å; G746-S750 PolarHBondContact O-OG 3.36Å
747	Y	97.8	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-54.2	-179	-177.6	-86.7	0	0	0	111.7	E453 L465 A661 W727 Y743 G745 E749 S750 K751 W756	E453-Y747 HydrophobicContact CB-CE1 3.97Å; E453-Y747 WeakPolarHBondContact CB-OH 3.3Å; E453-Y747 HydrophobicContact CG-CE1 4.36Å; E453-Y747 VanDerWaalsContact CG-OH 3.25Å; E453-Y747 WeakPolarHBondContact CG-OH 3.42Å; E453-Y747 VanDerWaalsContact OE2-CE1 3.29Å; E453-Y747 WeakPolarHBondContact OE2-CE1 3.25Å; E453-Y747 PolarHBondContact OE2-OH 3.44Å; L465-Y747 HydrophobicContact CD1-CD1 3.92Å; L465-Y747 HydrophobicContact CD1-CD2 3.65Å; L465-Y747 HydrophobicContact CD1-CE1 3.77Å; L465-Y747 HydrophobicContact CD1-CE2 3.51Å; L465-Y747 HydrophobicContact CD1-CG 3.88Å; L465-Y747 HydrophobicContact CD2-CD1 3.97Å; L465-Y747 HydrophobicContact CD2-CD2 3.8Å; L465-Y747 HydrophobicContact CD2-CG 3.5Å; L465-Y747 VanDerWaalsContact CD2-CG 3.5Å; L465-Y747 HydrophobicContact CG-CD1 4.45Å; L465-Y747 HydrophobicContact CG-CD2 4.39Å; L465-Y747 HydrophobicContact CG-CG 4.31Å; A661-Y747 HydrophobicContact CB-CE2 3.92Å; W727-Y747 AromaticContact CD1-CD2 3.86Å; W727-Y747 AromaticContact CD2-CD2 3.66Å; W727-Y747 HydrophobicContact CD2-CD2 3.66Å; W727-Y747 HydrophobicContact CD2-CG 4.25Å; W727-Y747 AromaticContact CE2-CD2 3.48Å; W727-Y747 VanDerWaalsContact CE2-CD2 3.48Å; W727-Y747 HydrophobicContact CE3-CD2 4.28Å; W727-Y747 HydrophobicContact CE3-CG 4.5Å; W727-Y747 AromaticContact CG-CD2 3.86Å; W727-Y747 HydrophobicContact CG-CD2 3.86Å; W727-Y747 HydrophobicContact CH2-CD2 4.47Å; W727-Y747 AromaticContact CZ2-CD2 3.91Å; W727-Y747 HydrophobicContact CZ2-CD2 3.91Å; W727-Y747 VanDerWaalsContact CZ3-CA 3.48Å; W727-Y747 AromaticContact NE1-CD2 3.62Å; Y743-Y747 WeakPolarHBondContact OH-CB 3.35Å; Y743-Y747 PolarHBondContact OH-N 2.86Å; G745-Y747 PolarHBondContact O-N 3.39Å; Y747-E749 VanDerWaalsContact C-N 3.33Å; Y747-E749 PolarHBondContact O-N 2.81Å; Y747-S750 WeakPolarHBondContact O-CB 3.29Å; Y747-S750 PolarHBondContact O-N 2.93Å; Y747-K751 PolarHBondContact O-N 3.36Å; Y747-W756 HydrophobicContact CD2-CH2 4.49Å; Y747-W756 HydrophobicContact CD2-CZ3 4.25Å; Y747-W756 HydrophobicContact CE1-CH2 4.27Å; Y747-W756 HydrophobicContact CE2-CH2 4.08Å; Y747-W756 HydrophobicContact CE2-CZ3 4.06Å; Y747-W756 AromaticContact CZ-CH2 3.95Å
748	W	96.9	Very high	94.4	Very high	6 Å²	6	60.6 Å²	60.6	2%	0.023	30%	0.304	C	S	.	.	H	α-helix	trans	-68.5	-35.6	-176.6	-58.3	113.3	0	0	0	111.5	E453 D455 R463 S464 L465 Y743 S750 K751 E752	E453-W748 HydrophobicContact CB-CH2 4.05Å; E453-W748 HydrophobicContact CB-CZ3 4.38Å; E453-W748 WeakPolarHBondContact OE2-CZ3 3.41Å; D455-W748 HydrophobicContact CB-CZ3 4.23Å; R463-W748 HydrophobicContact CB-CH2 3.71Å; R463-W748 HydrophobicContact CB-CZ2 3.87Å; R463-W748 HydrophobicContact CB-CZ3 4.29Å; R463-W748 VanDerWaalsContact CD-CE2 3.46Å; R463-W748 HydrophobicContact CG-CD2 4.49Å; R463-W748 HydrophobicContact CG-CH2 3.98Å; R463-W748 HydrophobicContact CG-CZ2 3.68Å; R463-W748 HydrophobicContact CG-CZ3 4.47Å; S464-W748 WeakPolarHBondContact O-CH2 3.36Å; L465-W748 HydrophobicContact CB-CZ2 3.98Å; Y743-W748 AromaticContact CZ-CD1 3.81Å; W748-S750 VanDerWaalsContact C-N 3.31Å; W748-S750 PolarHBondContact O-N 2.88Å; W748-K751 HydrophobicContact CE3-CD 4.2Å; W748-K751 HydrophobicContact CZ3-CD 4.3Å; W748-K751 WeakPolarHBondContact O-CB 3.45Å; W748-K751 PolarHBondContact O-N 2.94Å; W748-E752 WeakPolarHBondContact O-CB 3.42Å; W748-E752 VanDerWaalsContact O-CG 3.3Å; W748-E752 WeakPolarHBondContact O-CG 3.44Å; W748-E752 PolarHBondContact O-N 3.43Å
749	E	96.6	Very high	94.8	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-33.7	174.4	-60.6	84.5	166.6	0	0	111.9	G746 Y747 R753	G746-E749 WeakPolarHBondContact CA-OE2 3.39Å; G746-E749 PolarHBondContact N-OE2 2.97Å; Y747-E749 VanDerWaalsContact C-N 3.33Å; Y747-E749 PolarHBondContact O-N 2.81Å; E749-R753 VanDerWaalsContact O-CG 3.29Å; E749-R753 WeakPolarHBondContact O-CG 3.36Å; E749-R753 PolarHBondContact O-N 2.88Å; E749-R753 PolarHBondContact O-NE 3.04Å; E749-R753 VanDerWaalsContact O-NE 3.07Å
750	S	97.1	Very high	95.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.1	-41.4	174	-59.6	0	0	0	0	111.1	G746 Y747 W748 R753 E754 D755	G746-S750 VanDerWaalsContact O-CB 3.24Å; G746-S750 WeakPolarHBondContact O-CB 3.41Å; G746-S750 PolarHBondContact O-N 2.88Å; G746-S750 PolarHBondContact O-OG 3.36Å; Y747-S750 WeakPolarHBondContact O-CB 3.29Å; Y747-S750 PolarHBondContact O-N 2.93Å; W748-S750 VanDerWaalsContact C-N 3.31Å; W748-S750 PolarHBondContact O-N 2.88Å; S750-R753 CarbonylContact O-C 3.57Å; S750-R753 PolarHBondContact O-N 2.97Å; S750-E754 PolarHBondContact O-N 3.34Å; S750-D755 WeakPolarHBondContact CB-O 3.43Å; S750-D755 PolarHBondContact O-N 3.4Å
751	K	96.1	Very high	95.3	Very high	37 Å²	37	64.9 Å²	64.9	16%	0.161	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-48.2	172.8	-173	176.3	-176.7	-176.3	0	112.6	E453 D455 Y747 W748 R753 E754 W756	E453-K751 WeakPolarHBondContact OE1-CE 3.37Å; E453-K751 IonicContact OE1-NZ 3.95Å; E453-K751 PolarHBondContact OE1-NZ 3.4Å; E453-K751 WeakPolarHBondContact OE2-CD 3.29Å; E453-K751 WeakPolarHBondContact OE2-CE 3.24Å; E453-K751 IonicContact OE2-NZ 2.58Å; E453-K751 PolarHBondContact OE2-NZ 2.85Å; D455-K751 IonicContact OD2-NZ 3.49Å; D455-K751 PolarHBondContact OD2-NZ 2.82Å; Y747-K751 PolarHBondContact O-N 3.36Å; W748-K751 HydrophobicContact CE3-CD 4.2Å; W748-K751 HydrophobicContact CZ3-CD 4.3Å; W748-K751 WeakPolarHBondContact O-CB 3.45Å; W748-K751 PolarHBondContact O-N 2.94Å; K751-R753 PolarHBondContact O-N 3.2Å; K751-E754 PolarHBondContact O-N 3.11Å; K751-W756 HydrophobicContact CB-CH2 3.67Å; K751-W756 HydrophobicContact CB-CZ2 3.71Å; K751-W756 HydrophobicContact CG-CH2 4.35Å; K751-W756 HydrophobicContact CG-CZ2 3.99Å
752	E	95.5	Very high	95.4	Very high	146 Å²	146	64.7 Å²	64.7	68%	0.682	33%	0.325	S	S	*	.	H	α-helix	trans	-60.4	-27.6	178.3	-76	169.8	-162.1	0	0	112.8	W748	W748-E752 WeakPolarHBondContact O-CB 3.42Å; W748-E752 VanDerWaalsContact O-CG 3.3Å; W748-E752 WeakPolarHBondContact O-CG 3.44Å; W748-E752 PolarHBondContact O-N 3.43Å
753	R	96.7	Very high	95.5	Very high	159 Å²	159	65.2 Å²	65.2	60%	0.6	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.5	175.7	-66	179.9	-58	-147.3	1.7	113.7	E749 S750 K751 D755	E749-R753 VanDerWaalsContact O-CG 3.29Å; E749-R753 WeakPolarHBondContact O-CG 3.36Å; E749-R753 PolarHBondContact O-N 2.88Å; E749-R753 PolarHBondContact O-NE 3.04Å; E749-R753 VanDerWaalsContact O-NE 3.07Å; S750-R753 CarbonylContact O-C 3.57Å; S750-R753 PolarHBondContact O-N 2.97Å; K751-R753 PolarHBondContact O-N 3.2Å; R753-D755 HydrophobicContact CB-CB 4.25Å; R753-D755 PolarHBondContact O-N 3.32Å
754	E	94.9	Very high	95.4	Very high	158 Å²	158	67 Å²	67	74%	0.738	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	33	-170.3	-59.1	-178.4	174.6	0	0	113.4	S750 K751	S750-E754 PolarHBondContact O-N 3.34Å; K751-E754 PolarHBondContact O-N 3.11Å
755	D	96.2	Very high	95.4	Very high	71 Å²	71	64.9 Å²	64.9	38%	0.38	33%	0.33	S	S	.	.			trans	-109.4	100.9	-176.9	-177.3	10.9	0	0	0	111.4	S750 R753 S757	S750-D755 WeakPolarHBondContact CB-O 3.43Å; S750-D755 PolarHBondContact O-N 3.4Å; R753-D755 HydrophobicContact CB-CB 4.25Å; R753-D755 PolarHBondContact O-N 3.32Å; D755-S757 VanDerWaalsContact OD1-CB 3.3Å; D755-S757 WeakPolarHBondContact OD1-CB 3.22Å; D755-S757 PolarHBondContact OD1-N 2.69Å; D755-S757 PolarHBondContact OD1-OG 3.08Å
756	W	96.5	Very high	95.4	Very high	31 Å²	31	67.3 Å²	67.3	12%	0.117	34%	0.336	C	S	.	.			trans	-104.5	19.9	178.2	-57.6	118.5	0	0	0	113.2	G659 V660 A661 L662 W727 Y747 K751 M758 C759	G659-W756 VanDerWaalsContact O-CZ2 3.29Å; G659-W756 WeakPolarHBondContact O-CZ2 3.42Å; G659-W756 PolarHBondContact O-NE1 2.93Å; V660-W756 PolarHBondContact O-NE1 3.02Å; A661-W756 HydrophobicContact CB-CD2 4.03Å; A661-W756 HydrophobicContact CB-CE3 3.74Å; A661-W756 HydrophobicContact CB-CH2 3.81Å; A661-W756 HydrophobicContact CB-CZ2 4.1Å; A661-W756 HydrophobicContact CB-CZ3 3.64Å; L662-W756 HydrophobicContact CD1-CB 4.36Å; L662-W756 HydrophobicContact CG-CB 4.13Å; W727-W756 HydrophobicContact CH2-CZ3 4.28Å; W727-W756 HydrophobicContact CZ2-CE3 4.39Å; W727-W756 HydrophobicContact CZ2-CZ3 4.09Å; Y747-W756 HydrophobicContact CD2-CH2 4.49Å; Y747-W756 HydrophobicContact CD2-CZ3 4.25Å; Y747-W756 HydrophobicContact CE1-CH2 4.27Å; Y747-W756 HydrophobicContact CE2-CH2 4.08Å; Y747-W756 HydrophobicContact CE2-CZ3 4.06Å; Y747-W756 AromaticContact CZ-CH2 3.95Å; K751-W756 HydrophobicContact CB-CH2 3.67Å; K751-W756 HydrophobicContact CB-CZ2 3.71Å; K751-W756 HydrophobicContact CG-CH2 4.35Å; K751-W756 HydrophobicContact CG-CZ2 3.99Å; W756-M758 PolarHBondContact O-N 3.2Å; W756-C759 HydrophobicContact CB-CB 4.38Å; W756-C759 WeakPolarHBondContact O-CB 3.29Å; W756-C759 PolarHBondContact O-N 3.49Å
757	S	94.3	Very high	95.3	Very high	98 Å²	98	69.9 Å²	69.9	69%	0.685	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	-176	78.5	0	0	0	0	113.9	D755	D755-S757 VanDerWaalsContact OD1-CB 3.3Å; D755-S757 WeakPolarHBondContact OD1-CB 3.22Å; D755-S757 PolarHBondContact OD1-N 2.69Å; D755-S757 PolarHBondContact OD1-OG 3.08Å
758	M	92.9	Very high	95.2	Very high	104 Å²	104	74.3 Å²	74.3	51%	0.512	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.3	177.2	-59.9	-170.4	-66.6	0	0	113.4	L726 W727 W756	L726-M758 HydrophobicContact CD1-CB 4.33Å; L726-M758 HydrophobicContact CD2-CB 4.34Å; L726-M758 WeakPolarHBondContact CD2-O 3.28Å; W727-M758 HydrophobicContact CH2-CE 4.16Å; W727-M758 HydrophobicContact CZ3-CE 4.23Å; W756-M758 PolarHBondContact O-N 3.2Å
759	C	93.9	Very high	95.1	Very high	14 Å²	14	78.9 Å²	78.9	10%	0.095	39%	0.386	C	S	.	.	S	Bend	trans	-72.7	128.4	-178.2	-77	0	0	0	0	110.9	L662 T663 W756	L662-C759 HydrophobicContact CB-CB 4.14Å; T663-C759 HydrophobicContact CG2-CB 4.29Å; W756-C759 HydrophobicContact CB-CB 4.38Å; W756-C759 WeakPolarHBondContact O-CB 3.29Å; W756-C759 PolarHBondContact O-N 3.49Å
760	P	92.3	Very high	95	Very high	58 Å²	58	78.5 Å²	78.5	38%	0.377	39%	0.385	S	S	.	.			trans	-71.7	151.6	174.3	29.4	-34	0	0	0	111.9	T663 I762	T663-P760 HydrophobicContact CG2-CG 4.11Å; T663-P760 WeakPolarHBondContact CG2-O 3.37Å; P760-I762 HydrophobicContact CB-CG2 4.12Å; P760-I762 HydrophobicContact CG-CG2 3.93Å; P760-I762 PolarHBondContact O-N 3.32Å
761	E	93.2	Very high	94.8	Very high	167 Å²	167	84.5 Å²	84.5	78%	0.78	42%	0.415	S	S	*	.			trans	-83	92.3	173.2	-169.8	-170.7	169.8	0	0	110.7	K692	K692-E761 PolarHBondContact NZ-O 2.92Å
762	I	95.1	Very high	94.7	Very high	25 Å²	25	88.5 Å²	88.5	13%	0.128	44%	0.436	C	S	.	.			trans	-98	-20.6	-175.4	65.4	176.6	0	0	0	114.5	L447 E450 T663 P760	L447-I762 HydrophobicContact CB-CD1 4.47Å; E450-I762 HydrophobicContact CB-CD1 3.87Å; E450-I762 HydrophobicContact CG-CD1 4.41Å; T663-I762 HydrophobicContact CG2-CD1 3.76Å; T663-I762 HydrophobicContact CG2-CG1 4.03Å; T663-I762 HydrophobicContact CG2-CG2 4.49Å; P760-I762 HydrophobicContact CB-CG2 4.12Å; P760-I762 HydrophobicContact CG-CG2 3.93Å; P760-I762 PolarHBondContact O-N 3.32Å
763	F	95	Very high	94.6	Very high	31 Å²	31	83.3 Å²	83.3	14%	0.136	41%	0.414	C	S	.	.			trans	-84.4	0	177.8	-57.4	-45	0	0	0	113.6	L447 E450 L662 D664 L667 R668 R688 L689 K692	L447-F763 HydrophobicContact CD1-CD1 3.87Å; L447-F763 HydrophobicContact CD1-CE1 4.1Å; E450-F763 HydrophobicContact CG-CE1 4.34Å; E450-F763 HydrophobicContact CG-CZ 4.23Å; L662-F763 WeakPolarHBondContact O-CD2 3.4Å; L662-F763 VanDerWaalsContact O-CE2 3.29Å; L662-F763 WeakPolarHBondContact O-CE2 3.31Å; D664-F763 WeakPolarHBondContact O-CE2 3.37Å; D664-F763 WeakPolarHBondContact O-CZ 3.33Å; L667-F763 HydrophobicContact CB-CD2 4.21Å; L667-F763 HydrophobicContact CB-CE2 3.9Å; R668-F763 HydrophobicContact CB-CD1 4.2Å; R668-F763 HydrophobicContact CB-CE1 3.63Å; R668-F763 HydrophobicContact CB-CE2 4.46Å; R668-F763 HydrophobicContact CB-CZ 3.78Å; R668-F763 HydrophobicContact CG-CD1 4.2Å; R668-F763 HydrophobicContact CG-CE1 3.84Å; R668-F763 HydrophobicContact CG-CZ 4.49Å; R688-F763 PolarHBondContact NH1-OXT 3.33Å; R688-F763 PolarHBondContact NH2-OXT 3.38Å; L689-F763 VanDerWaalsContact CD2-C 3.46Å; L689-F763 VanDerWaalsContact CD2-CA 3.45Å; L689-F763 HydrophobicContact CD2-CB 4.17Å; L689-F763 HydrophobicContact CD2-CD1 4.36Å; L689-F763 WeakPolarHBondContact CD2-OXT 3.4Å; K692-F763 PolarHBondContact NZ-O 3.45Å

Retrieved 763 of 763 residues in 808.1 ms (Link to these results)

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