A0A077ZE55_TRITR Loading...

Small ribosomal subunit protein uS14

AlphaFold DB , UniProt , Accession A0A077ZE55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 759 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.3	Low	69.5	Low	222 Å²	222	129.3 Å²	129.3	100%	1.094	67%	0.671	S	S	*	*				0	13.5	0	-56.7	-168.8	-157.1	0	0	114.3
2	G	67.7	Low	69.7	Low	45 Å²	45	130.7 Å²	130.7	46%	0.464	66%	0.661	S	S	.	*	H	α-helix	trans	-83.5	-28.3	-175	0	0	0	0	0	116.1	I6	G2-I6 WeakPolarHBondContact O-CD1 3.45Å; G2-I6 WeakPolarHBondContact O-CG1 3.08Å
3	H	72.1	Confident	70.5	Confident	144 Å²	144	134.9 Å²	134.9	67%	0.667	67%	0.672	S	S	*	*	H	α-helix	trans	-70.7	-37.6	-171.6	-173.5	-95.3	0	0	0	113.2	I6 N7	H3-I6 PolarHBondContact O-N 3.07Å; H3-N7 VanDerWaalsContact O-CB 3.31Å; H3-N7 WeakPolarHBondContact O-CB 3.38Å; H3-N7 PolarHBondContact O-N 3.26Å; H3-N7 VanDerWaalsContact O-N 3.15Å
4	E	68.8	Low	71.1	Confident	166 Å²	166	139.7 Å²	139.7	78%	0.776	68%	0.681	S	S	*	*	H	α-helix	trans	-70.2	-35.8	-178.8	-69.7	177	171.6	0	0	112.8	I6	E4-I6 VanDerWaalsContact C-N 3.32Å; E4-I6 PolarHBondContact O-N 2.65Å
5	N	70.2	Confident	71.8	Confident	133 Å²	133	132.3 Å²	132.3	71%	0.711	66%	0.655	S	S	*	*	H	α-helix	trans	-73.3	-22.6	179.3	-71.6	-12	0	0	0	113.5
6	I	73.3	Confident	72.2	Confident	125 Å²	125	130.1 Å²	130.1	64%	0.641	65%	0.653	S	S	*	*	H	α-helix	trans	-91.8	-35.5	-179.4	-59.9	167.9	0	0	0	110.6	G2 H3 E4 Y8 S9	G2-I6 WeakPolarHBondContact O-CD1 3.45Å; G2-I6 WeakPolarHBondContact O-CG1 3.08Å; H3-I6 PolarHBondContact O-N 3.07Å; E4-I6 VanDerWaalsContact C-N 3.32Å; E4-I6 PolarHBondContact O-N 2.65Å; I6-Y8 PolarHBondContact O-N 3.01Å; I6-S9 PolarHBondContact O-N 3.38Å; I6-S9 PolarHBondContact O-OG 2.97Å
7	N	73.5	Confident	72.8	Confident	75 Å²	75	124.7 Å²	124.7	40%	0.401	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	121.9	-175.8	-155	9.4	0	0	0	110.5	H3 S9	H3-N7 VanDerWaalsContact O-CB 3.31Å; H3-N7 WeakPolarHBondContact O-CB 3.38Å; H3-N7 PolarHBondContact O-N 3.26Å; H3-N7 VanDerWaalsContact O-N 3.15Å; N7-S9 PolarHBondContact O-N 3.46Å
8	Y	67.5	Low	73.4	Confident	176 Å²	176	120.6 Å²	120.6	69%	0.69	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.1	14.7	-175.2	-61	-87.8	0	0	0	117.6	I6 H10	I6-Y8 PolarHBondContact O-N 3.01Å; Y8-H10 PolarHBondContact O-N 3.27Å; Y8-H10 VanDerWaalsContact O-N 3.14Å
9	S	75.9	Confident	74.2	Confident	78 Å²	78	118.1 Å²	118.1	55%	0.545	60%	0.604	S	S	.	*			trans	-57.3	-26.9	175.5	51.4	0	0	0	0	114.8	I6 N7	I6-S9 PolarHBondContact O-N 3.38Å; I6-S9 PolarHBondContact O-OG 2.97Å; N7-S9 PolarHBondContact O-N 3.46Å
10	H	71.5	Confident	75.1	Confident	153 Å²	153	114.8 Å²	114.8	71%	0.708	59%	0.592	S	S	*	*	S	Bend	trans	-115	134.9	175	-74.5	-68.4	0	0	0	112.9	Y8 R12	Y8-H10 PolarHBondContact O-N 3.27Å; Y8-H10 VanDerWaalsContact O-N 3.14Å; H10-R12 PolarHBondContact O-N 3.13Å; H10-R12 VanDerWaalsContact O-N 3.16Å
11	P	73.1	Confident	76	Confident	105 Å²	105	109.4 Å²	109.4	68%	0.682	57%	0.565	S	S	*	*			trans	-62.5	118.5	175.4	23	-30.6	0	0	0	110.5	K13	P11-K13 PolarHBondContact O-N 3.31Å
12	R	71.6	Confident	78	Confident	146 Å²	146	106.3 Å²	106.3	55%	0.551	54%	0.541	S	S	*	.			trans	-74.4	96.4	176.2	-65.5	-174.2	177.6	-167.7	-0.5	108.7	H10 Y14 S18	H10-R12 PolarHBondContact O-N 3.13Å; H10-R12 VanDerWaalsContact O-N 3.16Å; R12-Y14 PolarHBondContact O-N 3.44Å; R12-S18 WeakPolarHBondContact O-CB 3.01Å
13	K	79.4	Confident	79.2	Confident	186 Å²	186	107.2 Å²	107.2	81%	0.809	54%	0.538	S	S	*	.			trans	-75.3	-12.4	174.2	-65.4	-176.2	-179.7	179.8	0	113.2	P11	P11-K13 PolarHBondContact O-N 3.31Å
14	Y	79.2	Confident	80.2	Confident	202 Å²	202	103.4 Å²	103.4	79%	0.792	53%	0.526	S	S	*	.	S	Bend	trans	-141.7	160.7	-176.5	58	-86.7	0	0	0	112.2	R12 S18	R12-Y14 PolarHBondContact O-N 3.44Å; Y14-S18 VanDerWaalsContact C-OG 3.3Å
15	G	81.2	Confident	81.3	Confident	29 Å²	29	98.5 Å²	98.5	30%	0.299	51%	0.514	S	S	.	.	S	Bend	trans	103.2	-177.6	176.1	0	0	0	0	0	114.9	S18 R19	G15-S18 PolarHBondContact N-OG 3.14Å; G15-S18 PolarHBondContact O-OG 2.87Å; G15-R19 PolarHBondContact O-NE 3.4Å; G15-R19 PolarHBondContact O-NH2 3.35Å
16	P	79.6	Confident	82.3	Confident	96 Å²	96	94.4 Å²	94.4	62%	0.623	49%	0.492	S	S	*	.	S	Bend	trans	-64.7	-37.8	176.4	-22.8	34.6	0	0	0	113.8	S18 R19	P16-S18 VanDerWaalsContact C-N 3.35Å; P16-S18 PolarHBondContact O-N 2.93Å; P16-R19 WeakPolarHBondContact O-CG 3.04Å
17	G	80.9	Confident	83	Confident	39 Å²	39	92.8 Å²	92.8	40%	0.402	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.9	-178.6	0	0	0	0	0	114.9	R19 H27	G17-R19 PolarHBondContact O-N 2.83Å; G17-H27 PolarHBondContact O-CE1 2.84Å; G17-H27 VanDerWaalsContact O-CE1 3.26Å; G17-H27 PolarHBondContact O-ND1 2.96Å
18	S	84.1	Confident	83.8	Confident	51 Å²	51	96.3 Å²	96.3	36%	0.357	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.5	178.3	68.6	0	0	0	0	114	R12 Y14 G15 P16	R12-S18 WeakPolarHBondContact O-CB 3.01Å; Y14-S18 VanDerWaalsContact C-OG 3.3Å; G15-S18 PolarHBondContact N-OG 3.14Å; G15-S18 PolarHBondContact O-OG 2.87Å; P16-S18 VanDerWaalsContact C-N 3.35Å; P16-S18 PolarHBondContact O-N 2.93Å
19	R	88.4	Confident	84.9	Confident	72 Å²	72	89.8 Å²	89.8	27%	0.272	48%	0.481	S	S	.	.			trans	-128.3	135.1	-169.2	50.3	-179	139.4	152.6	0.6	109.9	G15 P16 G17 H27 L30	G15-R19 PolarHBondContact O-NE 3.4Å; G15-R19 PolarHBondContact O-NH2 3.35Å; P16-R19 WeakPolarHBondContact O-CG 3.04Å; G17-R19 PolarHBondContact O-N 2.83Å; R19-H27 PolarHBondContact O-ND1 3.18Å; R19-L30 HydrophobicContact CB-CD1 4.02Å; R19-L30 HydrophobicContact CG-CD1 3.78Å; R19-L30 WeakPolarHBondContact O-CD1 3.47Å
20	S	92.3	Very high	85.7	Confident	52 Å²	52	87.4 Å²	87.4	36%	0.364	46%	0.463	S	S	.	.			trans	-132.5	160.2	-178.9	52.9	0	0	0	0	109.8	R22 A25 N26	S20-R22 PolarHBondContact O-N 3.42Å; S20-A25 VanDerWaalsContact CB-O 3.24Å; S20-A25 WeakPolarHBondContact CB-O 3.48Å; S20-N26 CarbonylContact C-O 3.56Å
21	C	94.5	Very high	86.7	Confident	2 Å²	2	82 Å²	82	1%	0.014	44%	0.439	C	S	.	.			trans	-64	126.6	174	179.4	0	0	0	0	108.6	V23 C24 A25 N26 L30 Y37 C39	C21-V23 PolarHBondContact O-N 3.44Å; C21-V23 PolarHBondContact SG-N 2.95Å; C21-C24 VanDerWaalsContact CB-SG 3.57Å; C21-A25 WeakPolarHBondContact O-CA 3.37Å; C21-A25 PolarHBondContact O-N 3.39Å; C21-N26 HydrophobicContact CB-CB 4.23Å; C21-N26 WeakPolarHBondContact CB-O 3.39Å; C21-N26 PolarHBondContact N-O 3.35Å; C21-L30 HydrophobicContact CB-CD2 4.17Å; C21-Y37 CarbonylContact C-O 3.59Å; C21-Y37 WeakPolarHBondContact CA-O 3.27Å; C21-C39 HydrophobicContact CB-CB 3.98Å; C21-C39 PolarHBondContact SG-N 2.7Å
22	R	93.3	Very high	87.5	Confident	157 Å²	157	84.3 Å²	84.3	59%	0.592	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.6	177.1	71.8	178.6	-176.5	178.4	1.2	114	S20 L36 Y37 M38	S20-R22 PolarHBondContact O-N 3.42Å; R22-L36 VanDerWaalsContact CD-O 3.29Å; R22-L36 WeakPolarHBondContact CD-O 3.32Å; R22-L36 PolarHBondContact NE-O 3.1Å; R22-Y37 PolarHBondContact N-O 2.8Å; R22-M38 HydrophobicContact CG-CG 3.9Å; R22-M38 PolarHBondContact NH2-SD 2.8Å; R22-M38 VanDerWaalsContact NH2-SD 3.37Å
23	V	92.5	Very high	88.3	Confident	65 Å²	65	83.9 Å²	83.9	39%	0.394	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-48.1	-178	-177.6	0	0	0	0	112.2	C21 M38 C42 Y46	C21-V23 PolarHBondContact O-N 3.44Å; C21-V23 PolarHBondContact SG-N 2.95Å; V23-M38 HydrophobicContact CG2-CE 3.78Å; V23-M38 HydrophobicContact CG2-CG 4.23Å; V23-M38 HydrophobicContact CG2-SD 4.45Å; V23-C42 HydrophobicContact CB-CB 4.11Å; V23-C42 HydrophobicContact CG1-CB 4.34Å; V23-C42 HydrophobicContact CG2-CB 4.36Å; V23-Y46 HydrophobicContact CG1-CD2 4.5Å; V23-Y46 HydrophobicContact CG1-CE2 3.73Å
24	C	93.9	Very high	88.7	Confident	64 Å²	64	82.5 Å²	82.5	43%	0.432	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	10.3	-171.9	69.1	0	0	0	0	114.4	C21 N26 C42	C21-C24 VanDerWaalsContact CB-SG 3.57Å; C24-N26 PolarHBondContact O-N 2.78Å; C24-N26 WeakPolarHBondContact SG-CB 3.46Å; C24-C42 PolarHBondContact SG-SG 3.07Å
25	A	90.9	Very high	89.2	Confident	62 Å²	62	78.6 Å²	78.6	51%	0.512	42%	0.419	S	S	.	.			trans	56	6.9	-175.3	0	0	0	0	0	116.3	S20 C21 H27	S20-A25 VanDerWaalsContact CB-O 3.24Å; S20-A25 WeakPolarHBondContact CB-O 3.48Å; C21-A25 WeakPolarHBondContact O-CA 3.37Å; C21-A25 PolarHBondContact O-N 3.39Å; A25-H27 PolarHBondContact O-N 3.29Å
26	N	90.8	Very high	89.6	Confident	47 Å²	47	77.8 Å²	77.8	25%	0.251	41%	0.408	S	S	.	.			trans	-64.9	129.4	178.7	-173.8	1.2	0	0	0	112.3	S20 C21 C24 H28 C39	S20-N26 CarbonylContact C-O 3.56Å; C21-N26 HydrophobicContact CB-CB 4.23Å; C21-N26 WeakPolarHBondContact CB-O 3.39Å; C21-N26 PolarHBondContact N-O 3.35Å; C24-N26 PolarHBondContact O-N 2.78Å; C24-N26 WeakPolarHBondContact SG-CB 3.46Å; N26-H28 PolarHBondContact OD1-N 2.85Å; N26-C39 HydrophobicContact CB-CB 4.31Å
27	H	89.7	Confident	90.3	Very high	91 Å²	91	78 Å²	78	42%	0.421	40%	0.397	S	S	.	.			trans	-81.8	-14.2	177.9	-67.8	-85.4	0	0	0	113.9	G17 R19 A25	G17-H27 PolarHBondContact O-CE1 2.84Å; G17-H27 VanDerWaalsContact O-CE1 3.26Å; G17-H27 PolarHBondContact O-ND1 2.96Å; R19-H27 PolarHBondContact O-ND1 3.18Å; A25-H27 PolarHBondContact O-N 3.29Å
28	H	89.4	Confident	90.9	Very high	150 Å²	150	76.3 Å²	76.3	69%	0.694	38%	0.379	S	S	*	.	S	Bend	trans	-97.3	146.3	-175.8	-62.9	-81.5	0	0	0	113.3	N26 L30	N26-H28 PolarHBondContact OD1-N 2.85Å; H28-L30 PolarHBondContact O-N 2.68Å
29	G	90.3	Very high	91.4	Very high	38 Å²	38	74 Å²	74	39%	0.392	36%	0.362	S	S	.	.	S	Bend	trans	64	36.3	171.3	0	0	0	0	0	114.1	C39 R40	G29-C39 CarbonylContact O-C 3.58Å; G29-C39 WeakPolarHBondContact O-CA 3.35Å; G29-R40 WeakPolarHBondContact O-CG 3.36Å; G29-R40 PolarHBondContact O-N 3.49Å
30	L	92.9	Very high	91.7	Very high	29 Å²	29	78.6 Å²	78.6	15%	0.152	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.6	179.9	-79.7	159.1	0	0	0	112.9	R19 C21 H28	R19-L30 HydrophobicContact CB-CD1 4.02Å; R19-L30 HydrophobicContact CG-CD1 3.78Å; R19-L30 WeakPolarHBondContact O-CD1 3.47Å; C21-L30 HydrophobicContact CB-CD2 4.17Å; H28-L30 PolarHBondContact O-N 2.68Å
31	I	92.2	Very high	91.7	Very high	40 Å²	40	84.7 Å²	84.7	21%	0.205	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115.4	167.1	-59.8	171.6	0	0	0	107.8	L36 Y37 M38 R40 F43	I31-L36 HydrophobicContact CG2-CD1 4.17Å; I31-Y37 WeakPolarHBondContact O-CA 3.41Å; I31-Y37 PolarHBondContact O-N 2.93Å; I31-Y37 VanDerWaalsContact O-N 3.07Å; I31-M38 WeakPolarHBondContact CB-O 3.29Å; I31-M38 PolarHBondContact N-O 2.9Å; I31-M38 PolarHBondContact O-N 3.06Å; I31-R40 HydrophobicContact CD1-CG 4.31Å; I31-R40 HydrophobicContact CG1-CG 4.22Å; I31-F43 HydrophobicContact CD1-CB 3.42Å; I31-F43 VanDerWaalsContact CD1-CB 3.42Å; I31-F43 HydrophobicContact CD1-CD1 3.56Å; I31-F43 HydrophobicContact CD1-CD2 3.89Å; I31-F43 HydrophobicContact CD1-CE1 4.3Å; I31-F43 HydrophobicContact CD1-CG 3.32Å
32	R	90.8	Very high	91.8	Very high	152 Å²	152	84.9 Å²	84.9	57%	0.574	40%	0.396	S	S	*	.			trans	-105.2	-13.1	-177.4	-53.4	-178.1	-57.6	165	8.7	113.4	N35	R32-N35 PolarHBondContact O-N 3.26Å
33	K	88.1	Confident	91.8	Very high	137 Å²	137	79.4 Å²	79.4	60%	0.596	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.2	139.2	178.7	-160	178.1	-175.7	-171.6	0	108.3	N35 L36	K33-N35 PolarHBondContact O-N 3.15Å; K33-L36 WeakPolarHBondContact O-CG 3.26Å
34	Y	88.6	Confident	91.8	Very high	157 Å²	157	85.8 Å²	85.8	62%	0.616	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	61.4	25.3	-177.2	-40.1	-65.6	0	0	0	114.7	L36 F52	Y34-L36 HydrophobicContact CD2-CD1 4.47Å; Y34-L36 PolarHBondContact O-N 3.19Å; Y34-L36 VanDerWaalsContact O-N 3.15Å; Y34-F52 HydrophobicContact CD2-CZ 4.21Å; Y34-F52 HydrophobicContact CE2-CZ 4.35Å
35	N	88.3	Confident	91.8	Very high	120 Å²	120	88.6 Å²	88.6	64%	0.642	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	59.5	25.4	178	-139.5	37.9	0	0	0	114.3	R32 K33 Y37	R32-N35 PolarHBondContact O-N 3.26Å; K33-N35 PolarHBondContact O-N 3.15Å; N35-Y37 WeakPolarHBondContact O-CD2 3.5Å; N35-Y37 WeakPolarHBondContact OD1-CE2 3.4Å
36	L	90.7	Very high	91.9	Very high	13 Å²	13	90.5 Å²	90.5	7%	0.068	40%	0.395	C	S	.	.			trans	-69	-39.2	-175	-70.1	171	0	0	0	113.4	R22 I31 K33 Y34 M38 F43 I50 F52	R22-L36 VanDerWaalsContact CD-O 3.29Å; R22-L36 WeakPolarHBondContact CD-O 3.32Å; R22-L36 PolarHBondContact NE-O 3.1Å; I31-L36 HydrophobicContact CG2-CD1 4.17Å; K33-L36 WeakPolarHBondContact O-CG 3.26Å; Y34-L36 HydrophobicContact CD2-CD1 4.47Å; Y34-L36 PolarHBondContact O-N 3.19Å; Y34-L36 VanDerWaalsContact O-N 3.15Å; L36-M38 VanDerWaalsContact C-N 3.26Å; L36-M38 WeakPolarHBondContact O-CG 3.16Å; L36-M38 PolarHBondContact O-N 2.87Å; L36-F43 HydrophobicContact CD1-CD2 4.09Å; L36-F43 HydrophobicContact CD1-CE2 3.84Å; L36-I50 HydrophobicContact CD2-CD1 4.43Å; L36-I50 HydrophobicContact CD2-CG2 4.16Å; L36-F52 HydrophobicContact CD1-CE2 4.18Å; L36-F52 HydrophobicContact CD1-CZ 4.24Å
37	Y	93	Very high	92	Very high	101 Å²	101	89.1 Å²	89.1	40%	0.396	39%	0.39	S	S	.	.			trans	46.7	45.7	-175.1	-67.7	-79.2	0	0	0	113.8	C21 R22 I31 N35	C21-Y37 CarbonylContact C-O 3.59Å; C21-Y37 WeakPolarHBondContact CA-O 3.27Å; R22-Y37 PolarHBondContact N-O 2.8Å; I31-Y37 WeakPolarHBondContact O-CA 3.41Å; I31-Y37 PolarHBondContact O-N 2.93Å; I31-Y37 VanDerWaalsContact O-N 3.07Å; N35-Y37 WeakPolarHBondContact O-CD2 3.5Å; N35-Y37 WeakPolarHBondContact OD1-CE2 3.4Å
38	M	94.2	Very high	91.9	Very high	2 Å²	2	88.6 Å²	88.6	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.9	179	-69.9	174.8	70.7	0	0	110.4	R22 V23 I31 L36 C42 Y46 I50	R22-M38 HydrophobicContact CG-CG 3.9Å; R22-M38 PolarHBondContact NH2-SD 2.8Å; R22-M38 VanDerWaalsContact NH2-SD 3.37Å; V23-M38 HydrophobicContact CG2-CE 3.78Å; V23-M38 HydrophobicContact CG2-CG 4.23Å; V23-M38 HydrophobicContact CG2-SD 4.45Å; I31-M38 WeakPolarHBondContact CB-O 3.29Å; I31-M38 PolarHBondContact N-O 2.9Å; I31-M38 PolarHBondContact O-N 3.06Å; L36-M38 VanDerWaalsContact C-N 3.26Å; L36-M38 WeakPolarHBondContact O-CG 3.16Å; L36-M38 PolarHBondContact O-N 2.87Å; M38-C42 HydrophobicContact CE-CB 3.94Å; M38-Y46 HydrophobicContact CE-CD2 3.71Å; M38-Y46 HydrophobicContact CE-CG 4.06Å; M38-I50 HydrophobicContact CE-CD1 4.08Å; M38-I50 HydrophobicContact SD-CD1 3.74Å
39	C	94.5	Very high	92	Very high	2 Å²	2	87.2 Å²	87.2	1%	0.014	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	156.5	171.1	81.2	0	0	0	0	110.2	C21 N26 G29 R41 C42 F43	C21-C39 HydrophobicContact CB-CB 3.98Å; C21-C39 PolarHBondContact SG-N 2.7Å; N26-C39 HydrophobicContact CB-CB 4.31Å; G29-C39 CarbonylContact O-C 3.58Å; G29-C39 WeakPolarHBondContact O-CA 3.35Å; C39-R41 PolarHBondContact O-N 3.28Å; C39-R41 VanDerWaalsContact O-N 3.11Å; C39-C42 PolarHBondContact O-N 3.2Å; C39-C42 PolarHBondContact SG-SG 3.29Å; C39-F43 PolarHBondContact O-N 2.88Å
40	R	94.4	Very high	92	Very high	169 Å²	169	88.4 Å²	88.4	64%	0.638	39%	0.391	S	S	*	.	H	α-helix	trans	-55.8	-27.7	-179.9	-72.6	173.3	-172.1	-172.2	2	114.5	G29 I31 R44	G29-R40 WeakPolarHBondContact O-CG 3.36Å; G29-R40 PolarHBondContact O-N 3.49Å; I31-R40 HydrophobicContact CD1-CG 4.31Å; I31-R40 HydrophobicContact CG1-CG 4.22Å; R40-R44 WeakPolarHBondContact O-CG 3.42Å; R40-R44 PolarHBondContact O-N 3.49Å
41	R	93.6	Very high	91.7	Very high	181 Å²	181	89.7 Å²	89.7	68%	0.683	41%	0.412	S	S	*	.	H	α-helix	trans	-70.5	-58.7	176.1	-65.6	-173.6	-159	161.8	4.4	110.4	C39 F43 R44 E45	C39-R41 PolarHBondContact O-N 3.28Å; C39-R41 VanDerWaalsContact O-N 3.11Å; R41-F43 PolarHBondContact O-N 3.42Å; R41-R44 WeakPolarHBondContact O-CB 3.44Å; R41-R44 PolarHBondContact O-N 2.91Å; R41-E45 PolarHBondContact O-N 3.29Å
42	C	95	Very high	91.6	Very high	6 Å²	6	91.7 Å²	91.7	4%	0.041	42%	0.419	C	S	.	.	H	α-helix	trans	-56.9	-38.8	177.1	-58	0	0	0	0	112	V23 C24 M38 C39 R44 E45 Y46	V23-C42 HydrophobicContact CB-CB 4.11Å; V23-C42 HydrophobicContact CG1-CB 4.34Å; V23-C42 HydrophobicContact CG2-CB 4.36Å; C24-C42 PolarHBondContact SG-SG 3.07Å; M38-C42 HydrophobicContact CE-CB 3.94Å; C39-C42 PolarHBondContact O-N 3.2Å; C39-C42 PolarHBondContact SG-SG 3.29Å; C42-R44 VanDerWaalsContact C-N 3.29Å; C42-R44 PolarHBondContact O-N 2.57Å; C42-E45 PolarHBondContact O-N 2.78Å; C42-Y46 HydrophobicContact CB-CD2 4.27Å; C42-Y46 WeakPolarHBondContact O-CD2 3.39Å; C42-Y46 PolarHBondContact O-N 3.15Å
43	F	94.7	Very high	91.2	Very high	42 Å²	42	92.8 Å²	92.8	18%	0.184	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-36.5	176.2	178.8	-97.2	0	0	0	113.1	I31 L36 C39 R41 E45 A47 I50 F52	I31-F43 HydrophobicContact CD1-CB 3.42Å; I31-F43 VanDerWaalsContact CD1-CB 3.42Å; I31-F43 HydrophobicContact CD1-CD1 3.56Å; I31-F43 HydrophobicContact CD1-CD2 3.89Å; I31-F43 HydrophobicContact CD1-CE1 4.3Å; I31-F43 HydrophobicContact CD1-CG 3.32Å; L36-F43 HydrophobicContact CD1-CD2 4.09Å; L36-F43 HydrophobicContact CD1-CE2 3.84Å; C39-F43 PolarHBondContact O-N 2.88Å; R41-F43 PolarHBondContact O-N 3.42Å; F43-E45 VanDerWaalsContact C-N 3.33Å; F43-A47 HydrophobicContact CE1-CB 4.33Å; F43-A47 HydrophobicContact CZ-CB 4.38Å; F43-A47 VanDerWaalsContact O-CA 3.27Å; F43-A47 WeakPolarHBondContact O-CA 3.49Å; F43-A47 WeakPolarHBondContact O-CB 3.46Å; F43-A47 PolarHBondContact O-N 3.47Å; F43-I50 HydrophobicContact CD2-CD1 4.46Å; F43-F52 AromaticContact CE2-CD2 3.72Å; F43-F52 HydrophobicContact CE2-CD2 3.72Å; F43-F52 HydrophobicContact CE2-CE1 4.47Å; F43-F52 AromaticContact CE2-CE2 3.59Å; F43-F52 HydrophobicContact CE2-CE2 3.59Å; F43-F52 HydrophobicContact CE2-CG 4.24Å; F43-F52 AromaticContact CE2-CZ 4Å; F43-F52 HydrophobicContact CE2-CZ 4Å; F43-F52 HydrophobicContact CZ-CD1 4.01Å; F43-F52 AromaticContact CZ-CD2 3.85Å; F43-F52 HydrophobicContact CZ-CD2 3.85Å; F43-F52 HydrophobicContact CZ-CE1 4.13Å; F43-F52 AromaticContact CZ-CE2 3.97Å; F43-F52 HydrophobicContact CZ-CE2 3.97Å; F43-F52 AromaticContact CZ-CG 3.87Å; F43-F52 HydrophobicContact CZ-CG 3.87Å; F43-F52 HydrophobicContact CZ-CZ 4.12Å
44	R	92.1	Very high	90.7	Very high	199 Å²	199	95.9 Å²	95.9	75%	0.751	44%	0.442	S	S	*	.	H	α-helix	trans	-69.7	-33.5	177.4	-75.5	172.1	173.4	157.7	-3.9	112.3	R40 R41 C42	R40-R44 WeakPolarHBondContact O-CG 3.42Å; R40-R44 PolarHBondContact O-N 3.49Å; R41-R44 WeakPolarHBondContact O-CB 3.44Å; R41-R44 PolarHBondContact O-N 2.91Å; C42-R44 VanDerWaalsContact C-N 3.29Å; C42-R44 PolarHBondContact O-N 2.57Å
45	E	93.5	Very high	89.8	Confident	122 Å²	122	93.1 Å²	93.1	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-70.6	-48.8	176.5	-70.6	160	-168	0	0	111.1	R41 C42 F43	R41-E45 PolarHBondContact O-N 3.29Å; C42-E45 PolarHBondContact O-N 2.78Å; F43-E45 VanDerWaalsContact C-N 3.33Å
46	Y	93.2	Very high	88.1	Confident	102 Å²	102	89.9 Å²	89.9	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-95.3	3.5	-174.9	-64.4	-73.9	0	0	0	114.5	V23 M38 C42 S48 D49 I50	V23-Y46 HydrophobicContact CG1-CD2 4.5Å; V23-Y46 HydrophobicContact CG1-CE2 3.73Å; M38-Y46 HydrophobicContact CE-CD2 3.71Å; M38-Y46 HydrophobicContact CE-CG 4.06Å; C42-Y46 HydrophobicContact CB-CD2 4.27Å; C42-Y46 WeakPolarHBondContact O-CD2 3.39Å; C42-Y46 PolarHBondContact O-N 3.15Å; Y46-S48 VanDerWaalsContact C-N 3.3Å; Y46-S48 PolarHBondContact O-N 3.13Å; Y46-D49 PolarHBondContact O-N 3.31Å; Y46-D49 VanDerWaalsContact O-N 3.15Å; Y46-I50 WeakPolarHBondContact O-CD1 3.44Å; Y46-I50 WeakPolarHBondContact O-CG1 3.31Å; Y46-I50 PolarHBondContact O-N 2.9Å
47	A	92.1	Very high	85.9	Confident	18 Å²	18	97.8 Å²	97.8	15%	0.149	46%	0.464	C	S	.	.	H	α-helix	trans	-56.1	-45.1	-176	0	0	0	0	0	111.9	F43 D49 I50 G51 F52	F43-A47 HydrophobicContact CE1-CB 4.33Å; F43-A47 HydrophobicContact CZ-CB 4.38Å; F43-A47 VanDerWaalsContact O-CA 3.27Å; F43-A47 WeakPolarHBondContact O-CA 3.49Å; F43-A47 WeakPolarHBondContact O-CB 3.46Å; F43-A47 PolarHBondContact O-N 3.47Å; A47-D49 VanDerWaalsContact C-N 3.34Å; A47-D49 PolarHBondContact O-N 3.49Å; A47-I50 PolarHBondContact O-N 3.49Å; A47-G51 PolarHBondContact O-N 2.91Å; A47-F52 HydrophobicContact CB-CB 4.05Å; A47-F52 WeakPolarHBondContact O-CA 3.17Å; A47-F52 WeakPolarHBondContact O-CB 3.08Å; A47-F52 PolarHBondContact O-N 2.77Å
48	S	89	Confident	83.3	Confident	80 Å²	80	99.4 Å²	99.4	56%	0.559	49%	0.485	S	S	*	.	H	α-helix	trans	-59.8	-44.3	177.7	45.5	0	0	0	0	111.9	Y46 I50 G51	Y46-S48 VanDerWaalsContact C-N 3.3Å; Y46-S48 PolarHBondContact O-N 3.13Å; S48-I50 VanDerWaalsContact C-N 3.32Å; S48-I50 PolarHBondContact O-N 2.86Å; S48-G51 WeakPolarHBondContact O-CA 3.27Å; S48-G51 PolarHBondContact O-N 2.76Å
49	D	89.9	Confident	80.5	Confident	122 Å²	122	104.8 Å²	104.8	65%	0.652	51%	0.512	S	S	*	.	H	α-helix	trans	-71.4	-31.5	-175	-52	-17.2	0	0	0	111.4	Y46 A47 G51	Y46-D49 PolarHBondContact O-N 3.31Å; Y46-D49 VanDerWaalsContact O-N 3.15Å; A47-D49 VanDerWaalsContact C-N 3.34Å; A47-D49 PolarHBondContact O-N 3.49Å; D49-G51 PolarHBondContact O-N 2.81Å
50	I	90.3	Very high	77.6	Confident	62 Å²	62	110.3 Å²	110.3	32%	0.318	54%	0.538	S	S	.	.	H	α-helix	trans	-73.2	-17.3	172.1	-58.8	159.8	0	0	0	111.2	L36 M38 F43 Y46 A47 S48 F52	L36-I50 HydrophobicContact CD2-CD1 4.43Å; L36-I50 HydrophobicContact CD2-CG2 4.16Å; M38-I50 HydrophobicContact CE-CD1 4.08Å; M38-I50 HydrophobicContact SD-CD1 3.74Å; F43-I50 HydrophobicContact CD2-CD1 4.46Å; Y46-I50 WeakPolarHBondContact O-CD1 3.44Å; Y46-I50 WeakPolarHBondContact O-CG1 3.31Å; Y46-I50 PolarHBondContact O-N 2.9Å; A47-I50 PolarHBondContact O-N 3.49Å; S48-I50 VanDerWaalsContact C-N 3.32Å; S48-I50 PolarHBondContact O-N 2.86Å; I50-F52 HydrophobicContact CB-CD2 4.04Å; I50-F52 HydrophobicContact CB-CE2 4.33Å; I50-F52 HydrophobicContact CG2-CD2 3.82Å; I50-F52 HydrophobicContact CG2-CE2 3.63Å
51	G	88.1	Confident	75	Confident	57 Å²	57	106.9 Å²	106.9	59%	0.588	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	9.8	-179.7	0	0	0	0	0	115.1	A47 S48 D49	A47-G51 PolarHBondContact O-N 2.91Å; S48-G51 WeakPolarHBondContact O-CA 3.27Å; S48-G51 PolarHBondContact O-N 2.76Å; D49-G51 PolarHBondContact O-N 2.81Å
52	F	89.1	Confident	72.6	Confident	82 Å²	82	100.5 Å²	100.5	36%	0.36	52%	0.516	S	S	.	.			trans	-76	129.3	173.3	-72.4	-91.6	0	0	0	111.1	Y34 L36 F43 A47 I50	Y34-F52 HydrophobicContact CD2-CZ 4.21Å; Y34-F52 HydrophobicContact CE2-CZ 4.35Å; L36-F52 HydrophobicContact CD1-CE2 4.18Å; L36-F52 HydrophobicContact CD1-CZ 4.24Å; F43-F52 AromaticContact CE2-CD2 3.72Å; F43-F52 HydrophobicContact CE2-CD2 3.72Å; F43-F52 HydrophobicContact CE2-CE1 4.47Å; F43-F52 AromaticContact CE2-CE2 3.59Å; F43-F52 HydrophobicContact CE2-CE2 3.59Å; F43-F52 HydrophobicContact CE2-CG 4.24Å; F43-F52 AromaticContact CE2-CZ 4Å; F43-F52 HydrophobicContact CE2-CZ 4Å; F43-F52 HydrophobicContact CZ-CD1 4.01Å; F43-F52 AromaticContact CZ-CD2 3.85Å; F43-F52 HydrophobicContact CZ-CD2 3.85Å; F43-F52 HydrophobicContact CZ-CE1 4.13Å; F43-F52 AromaticContact CZ-CE2 3.97Å; F43-F52 HydrophobicContact CZ-CE2 3.97Å; F43-F52 AromaticContact CZ-CG 3.87Å; F43-F52 HydrophobicContact CZ-CG 3.87Å; F43-F52 HydrophobicContact CZ-CZ 4.12Å; A47-F52 HydrophobicContact CB-CB 4.05Å; A47-F52 WeakPolarHBondContact O-CA 3.17Å; A47-F52 WeakPolarHBondContact O-CB 3.08Å; A47-F52 PolarHBondContact O-N 2.77Å; I50-F52 HydrophobicContact CB-CD2 4.04Å; I50-F52 HydrophobicContact CB-CE2 4.33Å; I50-F52 HydrophobicContact CG2-CD2 3.82Å; I50-F52 HydrophobicContact CG2-CE2 3.63Å
53	K	82.8	Confident	69.8	Low	175 Å²	175	106.6 Å²	106.6	76%	0.761	54%	0.543	S	S	*	.			trans	-105	128.8	172.8	-65.1	-175.7	180	-178.4	0	110.4	V55	K53-V55 PolarHBondContact O-N 3.35Å
54	K	77.5	Confident	67	Low	202 Å²	202	111.5 Å²	111.5	88%	0.878	56%	0.562	S	S	*	*			trans	-75.7	114	176.3	-172.2	179.3	-178	-175.8	0	109.4	S56	K54-S56 PolarHBondContact O-N 3.39Å
55	V	69.9	Low	64.4	Low	99 Å²	99	105.8 Å²	105.8	60%	0.6	55%	0.546	S	S	*	.			trans	-83.5	99.9	172.9	-167.5	0	0	0	0	107.7	K53 Q57	K53-V55 PolarHBondContact O-N 3.35Å; V55-Q57 PolarHBondContact O-N 2.91Å
56	S	52.6	Low	61.6	Low	51 Å²	51	104.3 Å²	104.3	36%	0.357	54%	0.537	S	S	.	.			trans	-66.5	124	175.3	43.7	0	0	0	0	109.5	K54 T58 I59	K54-S56 PolarHBondContact O-N 3.39Å; S56-T58 PolarHBondContact O-N 3.14Å; S56-I59 PolarHBondContact O-N 3.39Å
57	Q	44.8	Very low	58.9	Low	179 Å²	179	100.9 Å²	100.9	84%	0.836	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.9	-179.1	-72.3	178.8	-13.4	0	0	113.8	V55	V55-Q57 PolarHBondContact O-N 2.91Å
58	T	39	Very low	56.3	Low	135 Å²	135	105 Å²	105	83%	0.828	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-0.8	-173.7	27.5	0	0	0	0	115.9	S56	S56-T58 PolarHBondContact O-N 3.14Å
59	I	35	Very low	53.9	Low	115 Å²	115	103.1 Å²	103.1	59%	0.59	53%	0.534	S	S	*	.	S	Bend	trans	-125.5	111.6	177.1	-55.2	176	0	0	0	108	S56 N61	S56-I59 PolarHBondContact O-N 3.39Å; I59-N61 PolarHBondContact O-N 3.17Å
60	E	34.1	Very low	51.5	Low	118 Å²	118	99.3 Å²	99.3	55%	0.551	51%	0.511	S	S	*	.			trans	50.8	60.3	162.8	-59.4	-176.8	-171.9	0	0	115.7	S62 Q63	E60-S62 CarbonylContact O-C 3.46Å; E60-S62 PolarHBondContact O-N 2.97Å; E60-Q63 PolarHBondContact O-N 2.83Å; E60-Q63 VanDerWaalsContact O-N 3.13Å
61	N	37.9	Very low	49.3	Very low	97 Å²	97	104.4 Å²	104.4	52%	0.519	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-1.8	144.8	-83.7	-30.2	0	0	0	113.2	I59 L65	I59-N61 PolarHBondContact O-N 3.17Å; N61-L65 HydrophobicContact CB-CD1 3.79Å; N61-L65 WeakPolarHBondContact O-CB 3.37Å; N61-L65 WeakPolarHBondContact O-CD1 3.22Å
62	S	43.3	Very low	47.3	Very low	48 Å²	48	104.6 Å²	104.6	34%	0.336	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-71.8	163.4	168.6	0	0	0	0	109.6	E60 Y64 K66	E60-S62 CarbonylContact O-C 3.46Å; E60-S62 PolarHBondContact O-N 2.97Å; S62-Y64 PolarHBondContact O-N 2.92Å; S62-K66 WeakPolarHBondContact O-CA 3.19Å; S62-K66 WeakPolarHBondContact O-CB 3.12Å; S62-K66 WeakPolarHBondContact O-CD 3.39Å; S62-K66 WeakPolarHBondContact O-CG 3.42Å; S62-K66 PolarHBondContact O-N 3.44Å; S62-K66 VanDerWaalsContact OG-CD 3.32Å; S62-K66 WeakPolarHBondContact OG-CD 3.49Å; S62-K66 WeakPolarHBondContact OG-CE 3.44Å; S62-K66 PolarHBondContact OG-NZ 3.25Å
63	Q	36.1	Very low	45.6	Very low	133 Å²	133	102.1 Å²	102.1	62%	0.621	50%	0.503	S	S	*	.	H	α-helix	trans	-67.6	-41.3	-164	-72.5	-176.1	-4.7	0	0	115.9	E60 K66 A67	E60-Q63 PolarHBondContact O-N 2.83Å; E60-Q63 VanDerWaalsContact O-N 3.13Å; Q63-K66 WeakPolarHBondContact O-CB 3.38Å; Q63-A67 WeakPolarHBondContact O-CB 3.32Å; Q63-A67 PolarHBondContact O-N 3.14Å
64	Y	36.9	Very low	44.3	Very low	146 Å²	146	95.7 Å²	95.7	57%	0.573	48%	0.476	S	S	*	.	H	α-helix	trans	-78.8	-39.7	-177.9	-104.7	-90.8	0	0	0	113.6	S62 K66 A67 I68	S62-Y64 PolarHBondContact O-N 2.92Å; Y64-K66 VanDerWaalsContact C-N 3.33Å; Y64-A67 PolarHBondContact O-N 3.34Å; Y64-I68 WeakPolarHBondContact O-CG1 3.25Å; Y64-I68 PolarHBondContact O-N 3.2Å
65	L	37	Very low	43.3	Very low	79 Å²	79	86.8 Å²	86.8	41%	0.414	44%	0.439	S	S	.	.	H	α-helix	trans	-71.3	-32.2	170.8	-72.3	159.4	0	0	0	110.8	N61 I68 T69	N61-L65 HydrophobicContact CB-CD1 3.79Å; N61-L65 WeakPolarHBondContact O-CB 3.37Å; N61-L65 WeakPolarHBondContact O-CD1 3.22Å; L65-I68 PolarHBondContact O-N 3.24Å; L65-T69 WeakPolarHBondContact O-CG2 3.25Å; L65-T69 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 2.85Å
66	K	35.7	Very low	43.1	Very low	90 Å²	90	87.5 Å²	87.5	39%	0.391	44%	0.436	S	S	.	.	H	α-helix	trans	-56.1	-52.8	167.1	-84.1	174.1	-178	-179.3	0	109.9	S62 Q63 Y64 I68 T69 Y70	S62-K66 WeakPolarHBondContact O-CA 3.19Å; S62-K66 WeakPolarHBondContact O-CB 3.12Å; S62-K66 WeakPolarHBondContact O-CD 3.39Å; S62-K66 WeakPolarHBondContact O-CG 3.42Å; S62-K66 PolarHBondContact O-N 3.44Å; S62-K66 VanDerWaalsContact OG-CD 3.32Å; S62-K66 WeakPolarHBondContact OG-CD 3.49Å; S62-K66 WeakPolarHBondContact OG-CE 3.44Å; S62-K66 PolarHBondContact OG-NZ 3.25Å; Q63-K66 WeakPolarHBondContact O-CB 3.38Å; Y64-K66 VanDerWaalsContact C-N 3.33Å; K66-I68 VanDerWaalsContact C-N 3.27Å; K66-I68 PolarHBondContact O-N 2.89Å; K66-T69 VanDerWaalsContact CA-OG1 3.29Å; K66-T69 WeakPolarHBondContact CA-OG1 3.49Å; K66-T69 CarbonylContact O-C 3.55Å; K66-T69 PolarHBondContact O-N 2.88Å; K66-T69 PolarHBondContact O-OG1 3.19Å; K66-Y70 HydrophobicContact CB-CD2 3.81Å; K66-Y70 HydrophobicContact CB-CE2 3.48Å; K66-Y70 VanDerWaalsContact CB-CE2 3.48Å; K66-Y70 HydrophobicContact CD-CE2 4.25Å; K66-Y70 HydrophobicContact CG-CD2 4.47Å; K66-Y70 HydrophobicContact CG-CE2 3.66Å; K66-Y70 WeakPolarHBondContact O-CB 3.45Å; K66-Y70 WeakPolarHBondContact O-CD2 3.31Å; K66-Y70 PolarHBondContact O-N 3.1Å
67	A	35	Very low	44.3	Very low	31 Å²	31	86 Å²	86	26%	0.256	42%	0.424	S	S	.	.	H	α-helix	trans	-56	-40.7	176.7	0	0	0	0	0	111.8	Q63 Y64 R71	Q63-A67 WeakPolarHBondContact O-CB 3.32Å; Q63-A67 PolarHBondContact O-N 3.14Å; Y64-A67 PolarHBondContact O-N 3.34Å; A67-R71 WeakPolarHBondContact O-CA 3.34Å; A67-R71 WeakPolarHBondContact O-CB 3.36Å; A67-R71 WeakPolarHBondContact O-CD 3.09Å; A67-R71 WeakPolarHBondContact O-CG 3.3Å; A67-R71 PolarHBondContact O-N 3.21Å
68	I	38.5	Very low	46	Very low	103 Å²	103	77.7 Å²	77.7	53%	0.528	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-43.5	174.5	-65.3	165.1	0	0	0	111.6	Y64 L65 K66 R71 M72	Y64-I68 WeakPolarHBondContact O-CG1 3.25Å; Y64-I68 PolarHBondContact O-N 3.2Å; L65-I68 PolarHBondContact O-N 3.24Å; K66-I68 VanDerWaalsContact C-N 3.27Å; K66-I68 PolarHBondContact O-N 2.89Å; I68-R71 PolarHBondContact O-N 2.95Å; I68-M72 WeakPolarHBondContact O-CG 3.31Å; I68-M72 PolarHBondContact O-N 2.8Å; I68-M72 VanDerWaalsContact O-N 3.13Å
69	T	37.6	Very low	48	Very low	41 Å²	41	75.7 Å²	75.7	25%	0.252	37%	0.373	S	S	.	.	H	α-helix	trans	-71.9	-27.1	-179.9	48.9	0	0	0	0	114.1	L65 K66	L65-T69 WeakPolarHBondContact O-CG2 3.25Å; L65-T69 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 2.85Å; K66-T69 VanDerWaalsContact CA-OG1 3.29Å; K66-T69 WeakPolarHBondContact CA-OG1 3.49Å; K66-T69 CarbonylContact O-C 3.55Å; K66-T69 PolarHBondContact O-N 2.88Å; K66-T69 PolarHBondContact O-OG1 3.19Å
70	Y	39.6	Very low	50.4	Low	43 Å²	43	71.3 Å²	71.3	17%	0.169	35%	0.35	C	S	.	.	H	α-helix	trans	-84.8	-32.7	173.3	-66	-61.9	0	0	0	112.1	K66 M72 W448 P449 P450 Y477	K66-Y70 HydrophobicContact CB-CD2 3.81Å; K66-Y70 HydrophobicContact CB-CE2 3.48Å; K66-Y70 VanDerWaalsContact CB-CE2 3.48Å; K66-Y70 HydrophobicContact CD-CE2 4.25Å; K66-Y70 HydrophobicContact CG-CD2 4.47Å; K66-Y70 HydrophobicContact CG-CE2 3.66Å; K66-Y70 WeakPolarHBondContact O-CB 3.45Å; K66-Y70 WeakPolarHBondContact O-CD2 3.31Å; K66-Y70 PolarHBondContact O-N 3.1Å; Y70-M72 VanDerWaalsContact C-N 3.34Å; Y70-W448 HydrophobicContact CD1-CB 3.57Å; Y70-W448 HydrophobicContact CE1-CB 3.43Å; Y70-W448 VanDerWaalsContact CE1-CB 3.43Å; Y70-W448 WeakPolarHBondContact CE1-O 3.3Å; Y70-W448 HydrophobicContact CG-CB 4.5Å; Y70-W448 VanDerWaalsContact CZ-C 3.45Å; Y70-W448 VanDerWaalsContact OH-C 3.28Å; Y70-W448 PolarHBondContact OH-O 2.87Å; Y70-P449 WeakPolarHBondContact CE1-O 3.5Å; Y70-P449 WeakPolarHBondContact OH-CA 3.48Å; Y70-P450 WeakPolarHBondContact OH-CA 3.43Å; Y70-P450 WeakPolarHBondContact OH-CD 3.26Å; Y70-Y477 PolarHBondContact O-OH 3.4Å; Y70-Y477 VanDerWaalsContact O-OH 3.07Å
71	R	44.6	Very low	52.8	Low	168 Å²	168	65.7 Å²	65.7	63%	0.634	32%	0.324	S	S	*	.			trans	-88.1	8.2	178.4	-66.1	173.6	179.8	-167.8	-0.7	114	A67 I68 D73	A67-R71 WeakPolarHBondContact O-CA 3.34Å; A67-R71 WeakPolarHBondContact O-CB 3.36Å; A67-R71 WeakPolarHBondContact O-CD 3.09Å; A67-R71 WeakPolarHBondContact O-CG 3.3Å; A67-R71 PolarHBondContact O-N 3.21Å; I68-R71 PolarHBondContact O-N 2.95Å; R71-D73 PolarHBondContact O-N 2.94Å
72	M	46.1	Very low	54.9	Low	62 Å²	62	64.4 Å²	64.4	31%	0.305	32%	0.319	S	S	.	.			trans	-67.8	81.9	169.7	-71.2	-153.7	75.7	0	0	108	I68 Y70 I74 P78 Y454	I68-M72 WeakPolarHBondContact O-CG 3.31Å; I68-M72 PolarHBondContact O-N 2.8Å; I68-M72 VanDerWaalsContact O-N 3.13Å; Y70-M72 VanDerWaalsContact C-N 3.34Å; M72-I74 PolarHBondContact O-N 3.33Å; M72-P78 HydrophobicContact CE-CB 4Å; M72-P78 HydrophobicContact CE-CG 4.44Å; M72-Y454 HydrophobicContact CE-CD1 4.44Å; M72-Y454 HydrophobicContact CE-CE1 4.02Å; M72-Y454 HydrophobicContact SD-CE1 4.09Å
73	D	54.6	Low	56.7	Low	30 Å²	30	64.4 Å²	64.4	16%	0.16	32%	0.319	C	S	.	.			trans	-49.9	138.3	164.4	-169.1	-15.2	0	0	0	106.7	R71 S75 E76 R386 H481	R71-D73 PolarHBondContact O-N 2.94Å; D73-S75 WeakPolarHBondContact CB-OG 3.28Å; D73-S75 PolarHBondContact O-N 3.49Å; D73-S75 PolarHBondContact OD1-N 2.92Å; D73-S75 PolarHBondContact OD1-OG 3.08Å; D73-S75 PolarHBondContact OD2-OG 3.28Å; D73-S75 VanDerWaalsContact OD2-OG 3.06Å; D73-E76 PolarHBondContact O-N 2.82Å; D73-R386 IonicContact OD1-CZ 2.94Å; D73-R386 IonicContact OD1-NH1 3.6Å; D73-R386 WeakPolarHBondContact OD2-CD 3.41Å; D73-R386 IonicContact OD2-CZ 3.82Å; D73-R386 IonicContact OD2-NE 3.51Å; D73-R386 PolarHBondContact OD2-NE 3.46Å; D73-R386 IonicContact OD2-NH1 3.72Å; D73-R386 PolarHBondContact OD2-NH1 2.63Å; D73-R386 VanDerWaalsContact OD2-NH1 3.16Å; D73-R386 IonicContact OD2-NH2 3.59Å; D73-R386 PolarHBondContact OD2-NH2 2.75Å; D73-H481 IonicContact OD2-CE1 3.07Å; D73-H481 PolarHBondContact OD2-CE1 2.83Å; D73-H481 IonicContact OD2-ND1 2.67Å
74	I	54.3	Low	58.8	Low	39 Å²	39	62.4 Å²	62.4	20%	0.2	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-22.3	176.4	-67	170.6	0	0	0	110.8	M72 T330 V334	M72-I74 PolarHBondContact O-N 3.33Å; I74-T330 HydrophobicContact CD1-CG2 4.26Å; I74-V334 HydrophobicContact CB-CG2 4.18Å; I74-V334 HydrophobicContact CG2-CG2 3.41Å; I74-V334 VanDerWaalsContact CG2-CG2 3.41Å
75	S	56.9	Low	61.2	Low	15 Å²	15	55.9 Å²	55.9	11%	0.105	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-27.8	179.2	60	0	0	0	0	118.4	D73 L77 R386	D73-S75 WeakPolarHBondContact CB-OG 3.28Å; D73-S75 PolarHBondContact O-N 3.49Å; D73-S75 PolarHBondContact OD1-N 2.92Å; D73-S75 PolarHBondContact OD1-OG 3.08Å; D73-S75 PolarHBondContact OD2-OG 3.28Å; D73-S75 VanDerWaalsContact OD2-OG 3.06Å; S75-L77 PolarHBondContact O-N 2.76Å; S75-R386 WeakPolarHBondContact OG-CD 3.27Å
76	E	66.6	Low	63.6	Low	114 Å²	114	54.5 Å²	54.5	53%	0.533	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-81.4	124.4	-174	-71.5	-167.3	175.7	0	0	110.4	D73 P78	D73-E76 PolarHBondContact O-N 2.82Å; E76-P78 WeakPolarHBondContact O-CD 3.48Å
77	L	76.5	Confident	66.1	Low	19 Å²	19	50.2 Å²	50.2	10%	0.099	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-67.5	126	168.3	-80.9	167.7	0	0	0	108.3	S75 V79 L81 T82 F338 Y341 V393	S75-L77 PolarHBondContact O-N 2.76Å; L77-V79 PolarHBondContact O-N 3.47Å; L77-L81 HydrophobicContact CD2-CB 4.37Å; L77-L81 HydrophobicContact CD2-CD1 3.68Å; L77-T82 HydrophobicContact CB-CG2 3.89Å; L77-T82 HydrophobicContact CD1-CG2 4.01Å; L77-F338 HydrophobicContact CD2-CD1 3.67Å; L77-F338 HydrophobicContact CD2-CE1 3.89Å; L77-Y341 HydrophobicContact CD1-CD2 3.79Å; L77-Y341 HydrophobicContact CD1-CE2 4.02Å; L77-Y341 HydrophobicContact CD1-CG 4.1Å; L77-Y341 HydrophobicContact CD2-CG 4.45Å; L77-V393 HydrophobicContact CD1-CB 4.23Å; L77-V393 HydrophobicContact CD1-CG1 3.63Å; L77-V393 HydrophobicContact CD1-CG2 4.1Å
78	P	82	Confident	68.6	Low	5 Å²	5	48.8 Å²	48.8	3%	0.032	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-52.7	139.2	168.6	17.8	-29.2	0	0	0	109.6	M72 E76 E80 L81 M165 F338 Y454	M72-P78 HydrophobicContact CE-CB 4Å; M72-P78 HydrophobicContact CE-CG 4.44Å; E76-P78 WeakPolarHBondContact O-CD 3.48Å; P78-E80 WeakPolarHBondContact CB-OE2 3.36Å; P78-E80 PolarHBondContact O-N 3.08Å; P78-L81 HydrophobicContact CG-CB 4.42Å; P78-L81 HydrophobicContact CG-CD1 3.58Å; P78-L81 HydrophobicContact CG-CG 3.86Å; P78-L81 WeakPolarHBondContact O-CB 3.26Å; P78-L81 PolarHBondContact O-N 2.89Å; P78-M165 HydrophobicContact CB-CE 4.33Å; P78-M165 HydrophobicContact CG-CE 3.79Å; P78-F338 VanDerWaalsContact CD-CZ 3.43Å; P78-F338 HydrophobicContact CG-CE1 4.19Å; P78-F338 HydrophobicContact CG-CE2 4.17Å; P78-F338 HydrophobicContact CG-CZ 3.73Å; P78-Y454 HydrophobicContact CB-CE1 4.04Å; P78-Y454 HydrophobicContact CG-CE1 3.79Å
79	V	80.3	Confident	70.9	Confident	94 Å²	94	43.9 Å²	43.9	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-57.5	-24.1	179.8	-64.5	0	0	0	0	112	L77 L81 T82 C83	L77-V79 PolarHBondContact O-N 3.47Å; V79-L81 VanDerWaalsContact C-N 3.28Å; V79-L81 PolarHBondContact O-N 2.67Å; V79-T82 PolarHBondContact O-N 3.28Å; V79-T82 PolarHBondContact O-OG1 2.95Å; V79-C83 VanDerWaalsContact O-CB 3.25Å; V79-C83 WeakPolarHBondContact O-CB 3.42Å; V79-C83 PolarHBondContact O-N 3.37Å; V79-C83 PolarHBondContact O-SG 3.44Å
80	E	84.2	Confident	73.1	Confident	23 Å²	23	41.9 Å²	41.9	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-23.8	174.7	-62.9	79.8	-175	0	0	113.8	P78 M165 Q166 L169	P78-E80 WeakPolarHBondContact CB-OE2 3.36Å; P78-E80 PolarHBondContact O-N 3.08Å; E80-M165 HydrophobicContact CB-CB 3.77Å; E80-M165 HydrophobicContact CB-CE 4.34Å; E80-M165 HydrophobicContact CB-SD 4.43Å; E80-M165 HydrophobicContact CG-CB 4.15Å; E80-Q166 HydrophobicContact CG-CB 4.25Å; E80-L169 HydrophobicContact CB-CD1 3.89Å; E80-L169 HydrophobicContact CG-CD1 4.17Å
81	L	84.9	Confident	75.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-84.5	-36.1	174.1	-74	174.1	0	0	0	112	L77 P78 V79 M165 F293 F338 Y341 K342	L77-L81 HydrophobicContact CD2-CB 4.37Å; L77-L81 HydrophobicContact CD2-CD1 3.68Å; P78-L81 HydrophobicContact CG-CB 4.42Å; P78-L81 HydrophobicContact CG-CD1 3.58Å; P78-L81 HydrophobicContact CG-CG 3.86Å; P78-L81 WeakPolarHBondContact O-CB 3.26Å; P78-L81 PolarHBondContact O-N 2.89Å; V79-L81 VanDerWaalsContact C-N 3.28Å; V79-L81 PolarHBondContact O-N 2.67Å; L81-M165 HydrophobicContact CD1-CE 4.33Å; L81-M165 HydrophobicContact CD2-CE 4.13Å; L81-M165 HydrophobicContact CD2-SD 3.53Å; L81-M165 VanDerWaalsContact CD2-SD 3.53Å; L81-M165 HydrophobicContact CG-CE 3.85Å; L81-M165 HydrophobicContact CG-SD 3.88Å; L81-F293 HydrophobicContact CD2-CZ 4.13Å; L81-F338 HydrophobicContact CD1-CB 3.77Å; L81-F338 HydrophobicContact CD1-CD1 3.22Å; L81-F338 HydrophobicContact CD1-CD2 3.69Å; L81-F338 HydrophobicContact CD1-CE1 3.63Å; L81-F338 HydrophobicContact CD1-CE2 4Å; L81-F338 HydrophobicContact CD1-CG 3.29Å; L81-F338 HydrophobicContact CD1-CZ 4Å; L81-Y341 HydrophobicContact CB-CE1 4.46Å; L81-Y341 VanDerWaalsContact O-CE1 3.3Å; L81-Y341 WeakPolarHBondContact O-CE1 3.31Å; L81-K342 HydrophobicContact CD2-CD 4.39Å; L81-K342 HydrophobicContact CD2-CG 4.27Å
82	T	82.7	Confident	76.9	Confident	69 Å²	69	32.3 Å²	32.3	42%	0.423	18%	0.182	S	C	.	.	H	α-helix	trans	-84.3	-27.6	-175.1	57.5	0	0	0	0	112.9	L77 V79	L77-T82 HydrophobicContact CB-CG2 3.89Å; L77-T82 HydrophobicContact CD1-CG2 4.01Å; V79-T82 PolarHBondContact O-N 3.28Å; V79-T82 PolarHBondContact O-OG1 2.95Å
83	C	81.3	Confident	78.3	Confident	48 Å²	48	31.3 Å²	31.3	32%	0.324	19%	0.187	S	C	.	.	S	Bend	trans	-69.8	154.2	175.8	74.8	0	0	0	0	112.2	V79 T85	V79-C83 VanDerWaalsContact O-CB 3.25Å; V79-C83 WeakPolarHBondContact O-CB 3.42Å; V79-C83 PolarHBondContact O-N 3.37Å; V79-C83 PolarHBondContact O-SG 3.44Å; C83-T85 PolarHBondContact O-N 3.42Å
84	P	80.1	Confident	79.4	Confident	91 Å²	91	30.3 Å²	30.3	59%	0.591	18%	0.182	S	C	*	.			trans	-64.3	134.1	172.8	27	-33.7	0	0	0	110.5	L86	P84-L86 HydrophobicContact CB-CD2 4.23Å; P84-L86 HydrophobicContact CB-CG 4.22Å; P84-L86 HydrophobicContact CG-CD1 4.38Å; P84-L86 HydrophobicContact CG-CG 4.28Å; P84-L86 PolarHBondContact O-N 2.71Å
85	T	86	Confident	80.5	Confident	10 Å²	10	31.2 Å²	31.2	6%	0.061	19%	0.187	C	C	.	.			trans	-75.8	85.7	176.9	35.5	0	0	0	0	110.2	C83 F297 E300 Q303	C83-T85 PolarHBondContact O-N 3.42Å; T85-F297 HydrophobicContact CG2-CE2 3.98Å; T85-F297 HydrophobicContact CG2-CZ 4.32Å; T85-E300 HydrophobicContact CG2-CB 4.32Å; T85-E300 WeakPolarHBondContact CG2-OE2 3.35Å; T85-E300 PolarHBondContact OG1-OE2 3.31Å; T85-Q303 PolarHBondContact O-NE2 2.87Å
86	L	87.6	Confident	81.6	Confident	50 Å²	50	32 Å²	32	26%	0.262	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-99	148.4	179.4	-56.2	-178.4	0	0	0	111.4	P84 P119 N121 L301	P84-L86 HydrophobicContact CB-CD2 4.23Å; P84-L86 HydrophobicContact CB-CG 4.22Å; P84-L86 HydrophobicContact CG-CD1 4.38Å; P84-L86 HydrophobicContact CG-CG 4.28Å; P84-L86 PolarHBondContact O-N 2.71Å; L86-P119 HydrophobicContact CD2-CB 3.4Å; L86-P119 VanDerWaalsContact CD2-CB 3.4Å; L86-N121 HydrophobicContact CB-CB 3.84Å; L86-N121 HydrophobicContact CD1-CB 4.27Å; L86-L301 WeakPolarHBondContact O-CD2 3.43Å
87	Q	89.3	Confident	82.2	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.6	177.6	-61.8	175.5	-11.2	0	0	110.4	P119 L120 N121 F258 A261 Y265 L301	Q87-P119 PolarHBondContact N-O 2.99Å; Q87-L120 HydrophobicContact CB-CD2 3.96Å; Q87-N121 PolarHBondContact O-N 3.36Å; Q87-F258 VanDerWaalsContact OE1-CD2 3.24Å; Q87-A261 HydrophobicContact CB-CB 4.09Å; Q87-A261 HydrophobicContact CG-CB 4.38Å; Q87-Y265 HydrophobicContact CB-CE2 3.86Å; Q87-Y265 HydrophobicContact CG-CD2 4.03Å; Q87-Y265 HydrophobicContact CG-CE2 3.72Å; Q87-L301 VanDerWaalsContact CG-O 3.32Å; Q87-L301 WeakPolarHBondContact CG-O 3.39Å; Q87-L301 PolarHBondContact NE2-O 2.85Å
88	L	87	Confident	82.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.7	-177.5	178.8	61.8	0	0	0	111.7	V90 Q123 P173 A174	L88-V90 HydrophobicContact CD1-CG2 4.38Å; L88-V90 HydrophobicContact CG-CG2 4.39Å; L88-Q123 HydrophobicContact CD1-CB 4.26Å; L88-Q123 VanDerWaalsContact CD1-CD 3.46Å; L88-Q123 HydrophobicContact CD1-CG 3.67Å; L88-P173 HydrophobicContact CD2-CB 4.46Å; L88-P173 HydrophobicContact CG-CB 4.31Å; L88-A174 PolarHBondContact O-N 3.48Å
89	I	85.9	Confident	82.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.3	172.7	-60	163.7	0	0	0	108.5	L91 L120 N121 F122 Q123 V175 V177 F257	I89-L91 HydrophobicContact CG2-CD2 3.86Å; I89-L120 HydrophobicContact CD1-CB 4.03Å; I89-L120 HydrophobicContact CD1-CD1 3.65Å; I89-L120 HydrophobicContact CD1-CD2 3.53Å; I89-L120 HydrophobicContact CD1-CG 3.91Å; I89-L120 HydrophobicContact CG1-CD2 4.47Å; I89-N121 PolarHBondContact N-O 3.45Å; I89-F122 HydrophobicContact CB-CD1 3.83Å; I89-F122 HydrophobicContact CB-CE1 3.95Å; I89-F122 HydrophobicContact CD1-CD1 4.29Å; I89-F122 HydrophobicContact CD1-CE1 3.62Å; I89-F122 HydrophobicContact CD1-CZ 4.17Å; I89-F122 HydrophobicContact CG1-CE1 4.42Å; I89-F122 HydrophobicContact CG2-CD1 3.92Å; I89-F122 HydrophobicContact CG2-CE1 3.92Å; I89-F122 CarbonylContact O-C 3.56Å; I89-F122 WeakPolarHBondContact O-CA 3.31Å; I89-Q123 PolarHBondContact O-N 2.9Å; I89-V175 HydrophobicContact CG1-CB 4.28Å; I89-V175 HydrophobicContact CG2-CB 4.37Å; I89-V177 HydrophobicContact CG2-CG2 3.84Å; I89-F257 HydrophobicContact CD1-CB 3.67Å; I89-F257 HydrophobicContact CD1-CD2 4.41Å; I89-F257 HydrophobicContact CD1-CG 4.42Å
90	V	83.9	Confident	82.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.9	178.1	169	0	0	0	0	109.8	L88 L92 Q123 A125 Y130 P173 V175 L176 V177	L88-V90 HydrophobicContact CD1-CG2 4.38Å; L88-V90 HydrophobicContact CG-CG2 4.39Å; V90-L92 HydrophobicContact CG1-CD2 4.35Å; V90-L92 HydrophobicContact CG1-CG 4.43Å; V90-Q123 CarbonylContact C-O 3.58Å; V90-Q123 WeakPolarHBondContact CA-O 2.86Å; V90-Q123 HydrophobicContact CG2-CB 4.02Å; V90-A125 HydrophobicContact CG1-CB 3.91Å; V90-Y130 HydrophobicContact CB-CE1 4.43Å; V90-Y130 HydrophobicContact CG1-CD1 4.15Å; V90-Y130 HydrophobicContact CG1-CE1 3.73Å; V90-Y130 HydrophobicContact CG2-CE1 4.28Å; V90-Y130 WeakPolarHBondContact CG2-OH 3.18Å; V90-P173 HydrophobicContact CB-CB 3.95Å; V90-P173 HydrophobicContact CB-CG 4.3Å; V90-P173 HydrophobicContact CG2-CB 3.65Å; V90-P173 HydrophobicContact CG2-CG 4.08Å; V90-V175 PolarHBondContact N-O 3.03Å; V90-L176 HydrophobicContact CB-CD2 3.73Å; V90-L176 HydrophobicContact CG1-CD2 3.76Å; V90-V177 PolarHBondContact O-N 3.29Å
91	L	83.7	Confident	81.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.4	178.4	-45.5	-179.3	0	0	0	109.2	I89 L94 W106 L109 F122 Q123 L124 A125 V177 F179 F257	I89-L91 HydrophobicContact CG2-CD2 3.86Å; L91-L94 HydrophobicContact CB-CD1 4.27Å; L91-L94 HydrophobicContact CD1-CD1 4.09Å; L91-W106 HydrophobicContact CD1-CE3 4.08Å; L91-W106 HydrophobicContact CD1-CZ3 4.1Å; L91-L109 HydrophobicContact CD1-CD1 3.61Å; L91-F122 HydrophobicContact CD1-CB 4.46Å; L91-F122 HydrophobicContact CD1-CD1 4.23Å; L91-F122 HydrophobicContact CD2-CD1 3.98Å; L91-F122 HydrophobicContact CD2-CE1 4.38Å; L91-F122 HydrophobicContact CG-CD1 4.28Å; L91-Q123 PolarHBondContact N-O 3Å; L91-L124 HydrophobicContact CB-CD1 4.47Å; L91-A125 PolarHBondContact O-N 3.39Å; L91-V177 CarbonylContact C-O 3.3Å; L91-V177 WeakPolarHBondContact CA-O 3.33Å; L91-V177 HydrophobicContact CD2-CB 3.78Å; L91-V177 HydrophobicContact CD2-CG1 4.36Å; L91-V177 HydrophobicContact CD2-CG2 3.97Å; L91-F179 HydrophobicContact CB-CD2 4.44Å; L91-F179 HydrophobicContact CB-CE2 4.01Å; L91-F179 HydrophobicContact CD1-CE2 4.28Å; L91-F179 HydrophobicContact CD2-CE2 3.97Å; L91-F179 HydrophobicContact CG-CE2 4.28Å; L91-F257 HydrophobicContact CD2-CE2 4.47Å
92	L	80.3	Confident	81.4	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150	178.7	-63.6	172	0	0	0	109.4	V90 L94 A125 Y130 L176 V177 L178 F179 I203	V90-L92 HydrophobicContact CG1-CD2 4.35Å; V90-L92 HydrophobicContact CG1-CG 4.43Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.35Å; L92-A125 HydrophobicContact CD2-CB 3.47Å; L92-A125 VanDerWaalsContact CD2-CB 3.47Å; L92-Y130 HydrophobicContact CD2-CD1 4.41Å; L92-L176 HydrophobicContact CD1-CD2 4.1Å; L92-V177 PolarHBondContact N-O 3.24Å; L92-L178 HydrophobicContact CB-CD1 3.85Å; L92-F179 PolarHBondContact O-N 3.47Å; L92-I203 HydrophobicContact CD1-CD1 3.99Å
93	G	76.4	Confident	81.3	Confident	40 Å²	40	43 Å²	43	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	87.3	-9.7	172.5	0	0	0	0	0	115.9	D95	G93-D95 PolarHBondContact O-N 3.16Å
94	L	77.3	Confident	81.3	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.052	25%	0.254	C	S	.	.			trans	-78.1	119.7	172.3	-67.2	172.9	0	0	0	110.8	L91 L92 H102 I105 L124 F179	L91-L94 HydrophobicContact CB-CD1 4.27Å; L91-L94 HydrophobicContact CD1-CD1 4.09Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.35Å; L94-H102 HydrophobicContact CB-CB 4.38Å; L94-H102 HydrophobicContact CD2-CB 3.94Å; L94-H102 VanDerWaalsContact CD2-CD2 3.47Å; L94-H102 WeakPolarHBondContact CD2-CD2 3.32Å; L94-I105 HydrophobicContact CD1-CG2 4.28Å; L94-I105 HydrophobicContact CD2-CD1 4.48Å; L94-I105 HydrophobicContact CD2-CG2 4.34Å; L94-L124 HydrophobicContact CB-CD1 3.75Å; L94-L124 HydrophobicContact CD1-CD1 4.38Å; L94-F179 HydrophobicContact CD1-CD1 4.47Å; L94-F179 HydrophobicContact CD1-CD2 3.79Å; L94-F179 HydrophobicContact CD1-CE1 4.39Å; L94-F179 HydrophobicContact CD1-CE2 3.74Å; L94-F179 HydrophobicContact CD1-CG 4.18Å; L94-F179 HydrophobicContact CD1-CZ 4.05Å; L94-F179 HydrophobicContact CD2-CB 3.77Å; L94-F179 HydrophobicContact CD2-CD1 3.58Å; L94-F179 HydrophobicContact CD2-CD2 4Å; L94-F179 HydrophobicContact CD2-CE1 4.11Å; L94-F179 HydrophobicContact CD2-CG 3.51Å; L94-F179 HydrophobicContact CG-CB 3.94Å; L94-F179 HydrophobicContact CG-CD1 4.12Å; L94-F179 HydrophobicContact CG-CD2 3.57Å; L94-F179 HydrophobicContact CG-CE2 4.06Å; L94-F179 HydrophobicContact CG-CG 3.61Å
95	D	77.6	Confident	81.2	Confident	58 Å²	58	40.3 Å²	40.3	31%	0.31	23%	0.226	S	C	.	.			trans	-97.2	90.1	169.4	-171.9	-11	0	0	0	110.8	G93 H97 N98 N99 H102	G93-D95 PolarHBondContact O-N 3.16Å; D95-H97 PolarHBondContact O-N 2.84Å; D95-H97 PolarHBondContact OD1-N 2.95Å; D95-N98 PolarHBondContact OD1-N 3.11Å; D95-N98 VanDerWaalsContact OD2-CB 3.3Å; D95-N98 WeakPolarHBondContact OD2-CB 3.21Å; D95-N98 PolarHBondContact OD2-ND2 3.44Å; D95-N99 PolarHBondContact O-N 3.09Å; D95-N99 VanDerWaalsContact O-N 3.13Å; D95-H102 PolarHBondContact N-ND1 3.24Å; D95-H102 WeakPolarHBondContact O-CB 3.36Å
96	V	79.4	Confident	81	Confident	30 Å²	30	42 Å²	42	18%	0.182	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.2	-179.5	178.5	0	0	0	0	112.7	K103 W106 L124	V96-K103 HydrophobicContact CG1-CB 4.15Å; V96-K103 HydrophobicContact CG1-CG 4.06Å; V96-W106 HydrophobicContact CG2-CB 3.85Å; V96-W106 HydrophobicContact CG2-CG 3.98Å; V96-L124 HydrophobicContact CB-CD2 4.25Å; V96-L124 HydrophobicContact CG2-CD2 3.46Å; V96-L124 VanDerWaalsContact CG2-CD2 3.46Å
97	H	80.5	Confident	80.7	Confident	177 Å²	177	42.5 Å²	42.5	82%	0.819	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-45.3	-177.2	-68.4	-71.9	0	0	0	112	D95	D95-H97 PolarHBondContact O-N 2.84Å; D95-H97 PolarHBondContact OD1-N 2.95Å
98	N	79.5	Confident	80.1	Confident	139 Å²	139	42.8 Å²	42.8	74%	0.743	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-27.5	-173.7	-56.1	-42	0	0	0	113.6	D95	D95-N98 PolarHBondContact OD1-N 3.11Å; D95-N98 VanDerWaalsContact OD2-CB 3.3Å; D95-N98 WeakPolarHBondContact OD2-CB 3.21Å; D95-N98 PolarHBondContact OD2-ND2 3.44Å
99	N	79.5	Confident	79.7	Confident	50 Å²	50	42.8 Å²	42.8	27%	0.267	24%	0.237	S	C	.	.			trans	-109.6	116.3	-175.8	-173.4	-15.2	0	0	0	111.6	D95 A101 H102 K103 D181	D95-N99 PolarHBondContact O-N 3.09Å; D95-N99 VanDerWaalsContact O-N 3.13Å; N99-A101 VanDerWaalsContact C-N 3.32Å; N99-A101 PolarHBondContact O-N 3.35Å; N99-A101 WeakPolarHBondContact OD1-CB 3.43Å; N99-A101 PolarHBondContact OD1-N 3.42Å; N99-H102 HydrophobicContact CB-CB 3.97Å; N99-H102 WeakPolarHBondContact CB-ND1 3.45Å; N99-H102 PolarHBondContact ND2-CE1 3.18Å; N99-H102 PolarHBondContact ND2-ND1 2.92Å; N99-H102 PolarHBondContact O-N 3.45Å; N99-K103 PolarHBondContact O-N 3.16Å; N99-D181 PolarHBondContact ND2-OD2 3.27Å
100	A	77.9	Confident	79.3	Confident	70 Å²	70	47.1 Å²	47.1	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-63.2	-35.2	178.1	0	0	0	0	0	112.9	K103 N104	A100-K103 PolarHBondContact O-N 3.44Å; A100-N104 PolarHBondContact O-N 3.06Å; A100-N104 PolarHBondContact O-ND2 3.07Å
101	A	74.4	Confident	78.7	Confident	13 Å²	13	52.8 Å²	52.8	11%	0.107	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-42.8	176.7	0	0	0	0	0	111.2	N99 K103 N104 I105 L219	N99-A101 VanDerWaalsContact C-N 3.32Å; N99-A101 PolarHBondContact O-N 3.35Å; N99-A101 WeakPolarHBondContact OD1-CB 3.43Å; N99-A101 PolarHBondContact OD1-N 3.42Å; A101-K103 VanDerWaalsContact C-N 3.32Å; A101-K103 PolarHBondContact O-N 3.38Å; A101-N104 WeakPolarHBondContact O-CB 3.35Å; A101-N104 PolarHBondContact O-N 2.88Å; A101-I105 WeakPolarHBondContact O-CG1 3.46Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-L219 HydrophobicContact CB-CD2 4.5Å
102	H	79.8	Confident	77.6	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-40.9	174.3	-71	169.9	0	0	0	112.7	L94 D95 N99 I105 W106 D181	L94-H102 HydrophobicContact CB-CB 4.38Å; L94-H102 HydrophobicContact CD2-CB 3.94Å; L94-H102 VanDerWaalsContact CD2-CD2 3.47Å; L94-H102 WeakPolarHBondContact CD2-CD2 3.32Å; D95-H102 PolarHBondContact N-ND1 3.24Å; D95-H102 WeakPolarHBondContact O-CB 3.36Å; N99-H102 HydrophobicContact CB-CB 3.97Å; N99-H102 WeakPolarHBondContact CB-ND1 3.45Å; N99-H102 PolarHBondContact ND2-CE1 3.18Å; N99-H102 PolarHBondContact ND2-ND1 2.92Å; N99-H102 PolarHBondContact O-N 3.45Å; H102-I105 PolarHBondContact O-N 3.47Å; H102-W106 WeakPolarHBondContact O-CB 3.37Å; H102-W106 PolarHBondContact O-N 3.4Å; H102-D181 IonicContact CD2-OD1 2.63Å; H102-D181 IonicContact CE1-OD1 3.77Å; H102-D181 IonicContact CE1-OD2 3.97Å; H102-D181 PolarHBondContact CE1-OD2 2.94Å; H102-D181 IonicContact NE2-OD1 3.89Å; H102-D181 PolarHBondContact NE2-OD1 3.37Å; H102-D181 IonicContact NE2-OD2 3.78Å; H102-D181 PolarHBondContact NE2-OD2 3.12Å; H102-D181 VanDerWaalsContact NE2-OD2 3.1Å
103	K	81	Confident	76.8	Confident	101 Å²	101	62.7 Å²	62.7	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-43.4	173.6	-178.4	176.6	176.4	-169.2	0	111.6	V96 N99 A100 A101 I105 W106 D107	V96-K103 HydrophobicContact CG1-CB 4.15Å; V96-K103 HydrophobicContact CG1-CG 4.06Å; N99-K103 PolarHBondContact O-N 3.16Å; A100-K103 PolarHBondContact O-N 3.44Å; A101-K103 VanDerWaalsContact C-N 3.32Å; A101-K103 PolarHBondContact O-N 3.38Å; K103-I105 VanDerWaalsContact C-N 3.33Å; K103-I105 PolarHBondContact O-N 3.24Å; K103-W106 PolarHBondContact O-N 3.33Å; K103-D107 VanDerWaalsContact O-CB 3.31Å; K103-D107 WeakPolarHBondContact O-CB 3.48Å; K103-D107 VanDerWaalsContact O-CG 3.29Å; K103-D107 PolarHBondContact O-N 2.87Å
104	N	79.6	Confident	76	Confident	81 Å²	81	71 Å²	71	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-40.3	176.6	-70.4	-18	0	0	0	112.2	A100 A101 A108 F245	A100-N104 PolarHBondContact O-N 3.06Å; A100-N104 PolarHBondContact O-ND2 3.07Å; A101-N104 WeakPolarHBondContact O-CB 3.35Å; A101-N104 PolarHBondContact O-N 2.88Å; N104-A108 WeakPolarHBondContact O-CB 3.25Å; N104-A108 PolarHBondContact O-N 3.47Å; N104-F245 HydrophobicContact CB-CE2 4.24Å
105	I	78.4	Confident	75.1	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-63.6	-48.4	174.7	-68.7	172.2	0	0	0	111.1	L94 A101 H102 K103 A108 L109 F179 L219 L239 F250	L94-I105 HydrophobicContact CD1-CG2 4.28Å; L94-I105 HydrophobicContact CD2-CD1 4.48Å; L94-I105 HydrophobicContact CD2-CG2 4.34Å; A101-I105 WeakPolarHBondContact O-CG1 3.46Å; A101-I105 PolarHBondContact O-N 2.89Å; H102-I105 PolarHBondContact O-N 3.47Å; K103-I105 VanDerWaalsContact C-N 3.33Å; K103-I105 PolarHBondContact O-N 3.24Å; I105-A108 PolarHBondContact O-N 3.13Å; I105-L109 HydrophobicContact CG2-CD1 4.05Å; I105-L109 WeakPolarHBondContact O-CG 3.44Å; I105-L109 PolarHBondContact O-N 3.18Å; I105-F179 HydrophobicContact CD1-CE1 4.41Å; I105-F179 HydrophobicContact CG2-CE1 3.7Å; I105-F179 HydrophobicContact CG2-CZ 4.05Å; I105-L219 HydrophobicContact CD1-CD1 3.39Å; I105-L219 HydrophobicContact CD1-CD2 4.46Å; I105-L219 HydrophobicContact CD1-CG 3.97Å; I105-L239 HydrophobicContact CD1-CD2 4.17Å; I105-L239 HydrophobicContact CG1-CD2 3.99Å; I105-F250 HydrophobicContact CG1-CZ 4.44Å; I105-F250 HydrophobicContact CG2-CE1 4.34Å
106	W	81.8	Confident	74.4	Confident	45 Å²	45	80.9 Å²	80.9	17%	0.17	41%	0.412	C	S	.	.	H	α-helix	trans	-60	-48.4	178.1	171.3	-103.9	0	0	0	111.6	L91 V96 H102 K103 A108 L109 M110 F122 L124	L91-W106 HydrophobicContact CD1-CE3 4.08Å; L91-W106 HydrophobicContact CD1-CZ3 4.1Å; V96-W106 HydrophobicContact CG2-CB 3.85Å; V96-W106 HydrophobicContact CG2-CG 3.98Å; H102-W106 WeakPolarHBondContact O-CB 3.37Å; H102-W106 PolarHBondContact O-N 3.4Å; K103-W106 PolarHBondContact O-N 3.33Å; W106-A108 VanDerWaalsContact C-N 3.31Å; W106-A108 PolarHBondContact O-N 3.24Å; W106-L109 PolarHBondContact O-N 2.97Å; W106-M110 HydrophobicContact CD2-CG 3.89Å; W106-M110 HydrophobicContact CE3-CG 4.16Å; W106-M110 HydrophobicContact CH2-CE 4.17Å; W106-M110 HydrophobicContact CH2-CG 3.82Å; W106-M110 HydrophobicContact CH2-SD 3.64Å; W106-M110 HydrophobicContact CZ2-CE 3.88Å; W106-M110 HydrophobicContact CZ2-CG 3.52Å; W106-M110 HydrophobicContact CZ2-SD 3.76Å; W106-M110 HydrophobicContact CZ3-CG 4.12Å; W106-M110 HydrophobicContact CZ3-SD 4.19Å; W106-M110 WeakPolarHBondContact O-CB 3.22Å; W106-M110 WeakPolarHBondContact O-CG 2.99Å; W106-M110 PolarHBondContact O-N 3.09Å; W106-F122 HydrophobicContact CZ3-CB 4.21Å; W106-L124 HydrophobicContact CE3-CB 4.11Å; W106-L124 HydrophobicContact CH2-CB 3.96Å; W106-L124 HydrophobicContact CZ2-CB 4.49Å; W106-L124 HydrophobicContact CZ3-CB 3.76Å
107	D	81.9	Confident	74	Confident	61 Å²	61	82.1 Å²	82.1	33%	0.326	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-39.8	178.2	-72.8	-18.6	0	0	0	110.5	K103 L109 M110 M111	K103-D107 VanDerWaalsContact O-CB 3.31Å; K103-D107 WeakPolarHBondContact O-CB 3.48Å; K103-D107 VanDerWaalsContact O-CG 3.29Å; K103-D107 PolarHBondContact O-N 2.87Å; D107-L109 PolarHBondContact O-N 2.79Å; D107-M110 PolarHBondContact O-N 2.97Å; D107-M111 VanDerWaalsContact O-CB 3.31Å; D107-M111 WeakPolarHBondContact O-CB 3.35Å; D107-M111 WeakPolarHBondContact O-CG 3.18Å; D107-M111 PolarHBondContact O-N 3.39Å
108	A	77.1	Confident	73.6	Confident	6 Å²	6	77.1 Å²	77.1	5%	0.05	39%	0.387	C	S	.	.	H	α-helix	trans	-63.6	-38	176.7	0	0	0	0	0	113.8	N104 I105 W106 R113 F250	N104-A108 WeakPolarHBondContact O-CB 3.25Å; N104-A108 PolarHBondContact O-N 3.47Å; I105-A108 PolarHBondContact O-N 3.13Å; W106-A108 VanDerWaalsContact C-N 3.31Å; W106-A108 PolarHBondContact O-N 3.24Å; A108-R113 PolarHBondContact O-NE 3.27Å; A108-F250 HydrophobicContact CB-CD1 3.78Å; A108-F250 HydrophobicContact CB-CD2 4.14Å; A108-F250 HydrophobicContact CB-CE1 3.34Å; A108-F250 HydrophobicContact CB-CE2 3.75Å; A108-F250 HydrophobicContact CB-CG 4.15Å; A108-F250 HydrophobicContact CB-CZ 3.32Å
109	L	78.8	Confident	73.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-75	-31.9	175.9	-71.8	171.7	0	0	0	112.9	L91 I105 W106 D107 R117 F122 F179 F250 L253 E254	L91-L109 HydrophobicContact CD1-CD1 3.61Å; I105-L109 HydrophobicContact CG2-CD1 4.05Å; I105-L109 WeakPolarHBondContact O-CG 3.44Å; I105-L109 PolarHBondContact O-N 3.18Å; W106-L109 PolarHBondContact O-N 2.97Å; D107-L109 PolarHBondContact O-N 2.79Å; L109-R117 PolarHBondContact O-NH2 3.41Å; L109-F122 HydrophobicContact CB-CD2 4.26Å; L109-F122 HydrophobicContact CB-CE2 4.32Å; L109-F122 HydrophobicContact CD2-CE2 4.24Å; L109-F122 HydrophobicContact CD2-CZ 4.09Å; L109-F179 HydrophobicContact CD1-CZ 4.46Å; L109-F250 HydrophobicContact CD2-CD1 4.1Å; L109-F250 HydrophobicContact CG-CD1 4.28Å; L109-F250 HydrophobicContact CG-CE1 4.38Å; L109-L253 HydrophobicContact CD2-CD2 3.75Å; L109-E254 HydrophobicContact CD2-CG 4.25Å
110	M	77.9	Confident	73.6	Confident	90 Å²	90	69.7 Å²	69.7	44%	0.443	35%	0.349	S	S	.	.	H	α-helix	trans	-86.1	-22.6	179.3	-71.2	-64.1	-77	0	0	113.5	W106 D107 N112 F122	W106-M110 HydrophobicContact CD2-CG 3.89Å; W106-M110 HydrophobicContact CE3-CG 4.16Å; W106-M110 HydrophobicContact CH2-CE 4.17Å; W106-M110 HydrophobicContact CH2-CG 3.82Å; W106-M110 HydrophobicContact CH2-SD 3.64Å; W106-M110 HydrophobicContact CZ2-CE 3.88Å; W106-M110 HydrophobicContact CZ2-CG 3.52Å; W106-M110 HydrophobicContact CZ2-SD 3.76Å; W106-M110 HydrophobicContact CZ3-CG 4.12Å; W106-M110 HydrophobicContact CZ3-SD 4.19Å; W106-M110 WeakPolarHBondContact O-CB 3.22Å; W106-M110 WeakPolarHBondContact O-CG 2.99Å; W106-M110 PolarHBondContact O-N 3.09Å; D107-M110 PolarHBondContact O-N 2.97Å; M110-N112 PolarHBondContact O-N 3.08Å; M110-F122 HydrophobicContact SD-CB 4.31Å
111	M	70.5	Confident	74	Confident	119 Å²	119	69 Å²	69	59%	0.586	34%	0.336	S	S	*	.	S	Bend	trans	-61	118.1	172.4	-85.5	178.9	162.8	0	0	109.4	D107 R113	D107-M111 VanDerWaalsContact O-CB 3.31Å; D107-M111 WeakPolarHBondContact O-CB 3.35Å; D107-M111 WeakPolarHBondContact O-CG 3.18Å; D107-M111 PolarHBondContact O-N 3.39Å; M111-R113 HydrophobicContact CB-CG 4.34Å; M111-R113 PolarHBondContact O-N 3.34Å
112	N	61.3	Low	74.6	Confident	139 Å²	139	68.8 Å²	68.8	74%	0.743	33%	0.333	S	S	*	.			trans	-66.2	83.5	170.8	-81.8	-19.1	0	0	0	109.6	M110 R114	M110-N112 PolarHBondContact O-N 3.08Å; N112-R114 PolarHBondContact O-N 2.8Å
113	R	62.2	Low	74.8	Confident	80 Å²	80	71 Å²	71	30%	0.302	34%	0.343	S	S	.	.			trans	-78.9	102.1	173	-60.9	177.5	-168.3	-130.5	1.9	107.9	A108 M111 G247	A108-R113 PolarHBondContact O-NE 3.27Å; M111-R113 HydrophobicContact CB-CG 4.34Å; M111-R113 PolarHBondContact O-N 3.34Å; R113-G247 VanDerWaalsContact NH1-CA 3.28Å
114	R	59.1	Low	74.8	Confident	214 Å²	214	69.2 Å²	69.2	81%	0.808	34%	0.338	S	S	*	.	S	Bend	trans	69.9	157.7	166.3	-59.2	-177.9	-179.7	178	0.3	116.3	N112 D116 R117	N112-R114 PolarHBondContact O-N 2.8Å; R114-D116 PolarHBondContact O-N 3.01Å; R114-R117 PolarHBondContact O-N 3.17Å
115	P	59	Low	74.6	Confident	126 Å²	126	65.7 Å²	65.7	82%	0.818	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.4	178.4	23.7	-35	0	0	0	114.4	R117	P115-R117 VanDerWaalsContact C-N 3.26Å; P115-R117 PolarHBondContact O-N 3.11Å
116	D	62.6	Low	74.1	Confident	149 Å²	149	69.9 Å²	69.9	80%	0.797	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	7.9	-177.2	-54.4	-46.4	0	0	0	114.2	R114 R118	R114-D116 PolarHBondContact O-N 3.01Å; D116-R118 PolarHBondContact O-N 3.27Å
117	R	71.8	Confident	72.7	Confident	57 Å²	57	70.1 Å²	70.1	22%	0.215	37%	0.366	C	S	.	.			trans	-61.2	131.4	179.9	-175.4	170.9	176.5	-100.2	7.1	110.5	L109 R114 P115 F122 E254	L109-R117 PolarHBondContact O-NH2 3.41Å; R114-R117 PolarHBondContact O-N 3.17Å; P115-R117 VanDerWaalsContact C-N 3.26Å; P115-R117 PolarHBondContact O-N 3.11Å; R117-F122 VanDerWaalsContact NH2-CE2 3.29Å; R117-E254 IonicContact NE-OE1 3.56Å; R117-E254 PolarHBondContact NE-OE1 3Å; R117-E254 IonicContact NH2-OE1 3.17Å
118	R	72.6	Confident	71.3	Confident	71 Å²	71	71.1 Å²	71.1	27%	0.268	38%	0.378	S	S	.	.			trans	-62	143.8	177.3	-66.5	-179.7	174.1	-152	-11.4	110.7	D116 L120 H255 F258 D259	D116-R118 PolarHBondContact O-N 3.27Å; R118-L120 HydrophobicContact CB-CG 4.33Å; R118-L120 PolarHBondContact O-N 2.94Å; R118-H255 VanDerWaalsContact NH1-CA 3.29Å; R118-H255 PolarHBondContact NH1-ND1 3.4Å; R118-H255 PolarHBondContact NH1-O 3.31Å; R118-H255 VanDerWaalsContact NH1-O 3.16Å; R118-H255 PolarHBondContact NH2-CE1 3.28Å; R118-H255 PolarHBondContact NH2-ND1 2.94Å; R118-F258 HydrophobicContact CB-CD2 4.02Å; R118-F258 HydrophobicContact CB-CE2 4.49Å; R118-F258 HydrophobicContact CB-CG 4.36Å; R118-F258 HydrophobicContact CG-CD2 4.44Å; R118-F258 HydrophobicContact CG-CG 4.41Å; R118-D259 IonicContact NH1-OD1 3Å; R118-D259 PolarHBondContact NH1-OD1 2.97Å; R118-D259 VanDerWaalsContact NH1-OD1 3.17Å
119	P	75	Confident	69.9	Low	30 Å²	30	77.3 Å²	77.3	20%	0.195	41%	0.406	C	S	.	.			trans	-77.4	69.4	-171.8	28.7	-32.3	0	0	0	112.7	L86 Q87 F258 Q303	L86-P119 HydrophobicContact CD2-CB 3.4Å; L86-P119 VanDerWaalsContact CD2-CB 3.4Å; Q87-P119 PolarHBondContact N-O 2.99Å; P119-F258 HydrophobicContact CG-CE2 4.19Å; P119-Q303 HydrophobicContact CG-CG 3.52Å; P119-Q303 VanDerWaalsContact CG-NE2 3.33Å
120	L	84.1	Confident	68.7	Low	4 Å²	4	79 Å²	79	2%	0.021	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.5	-179	-62.2	-178.4	0	0	0	110.9	Q87 I89 R118 F122 E254 F257 F258	Q87-L120 HydrophobicContact CB-CD2 3.96Å; I89-L120 HydrophobicContact CD1-CB 4.03Å; I89-L120 HydrophobicContact CD1-CD1 3.65Å; I89-L120 HydrophobicContact CD1-CD2 3.53Å; I89-L120 HydrophobicContact CD1-CG 3.91Å; I89-L120 HydrophobicContact CG1-CD2 4.47Å; R118-L120 HydrophobicContact CB-CG 4.33Å; R118-L120 PolarHBondContact O-N 2.94Å; L120-F122 HydrophobicContact CB-CE2 4Å; L120-F122 HydrophobicContact CB-CZ 3.98Å; L120-F122 HydrophobicContact CD1-CE2 4.46Å; L120-F122 HydrophobicContact CD1-CZ 3.81Å; L120-E254 HydrophobicContact CD1-CB 4.37Å; L120-F257 HydrophobicContact CD1-CB 4.34Å; L120-F258 HydrophobicContact CD1-CB 4.33Å; L120-F258 HydrophobicContact CD2-CB 4.22Å; L120-F258 HydrophobicContact CD2-CD2 3.91Å
121	N	86.1	Confident	67.4	Low	55 Å²	55	75.6 Å²	75.6	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.5	171.5	-177.6	22	0	0	0	109.2	L86 Q87 I89	L86-N121 HydrophobicContact CB-CB 3.84Å; L86-N121 HydrophobicContact CD1-CB 4.27Å; Q87-N121 PolarHBondContact O-N 3.36Å; I89-N121 PolarHBondContact N-O 3.45Å
122	F	86.1	Confident	66.3	Low	9 Å²	9	76 Å²	76	4%	0.039	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.1	178.5	-65.1	-68.2	0	0	0	110.9	I89 L91 W106 L109 M110 R117 L120 E254 F257	I89-F122 HydrophobicContact CB-CD1 3.83Å; I89-F122 HydrophobicContact CB-CE1 3.95Å; I89-F122 HydrophobicContact CD1-CD1 4.29Å; I89-F122 HydrophobicContact CD1-CE1 3.62Å; I89-F122 HydrophobicContact CD1-CZ 4.17Å; I89-F122 HydrophobicContact CG1-CE1 4.42Å; I89-F122 HydrophobicContact CG2-CD1 3.92Å; I89-F122 HydrophobicContact CG2-CE1 3.92Å; I89-F122 CarbonylContact O-C 3.56Å; I89-F122 WeakPolarHBondContact O-CA 3.31Å; L91-F122 HydrophobicContact CD1-CB 4.46Å; L91-F122 HydrophobicContact CD1-CD1 4.23Å; L91-F122 HydrophobicContact CD2-CD1 3.98Å; L91-F122 HydrophobicContact CD2-CE1 4.38Å; L91-F122 HydrophobicContact CG-CD1 4.28Å; W106-F122 HydrophobicContact CZ3-CB 4.21Å; L109-F122 HydrophobicContact CB-CD2 4.26Å; L109-F122 HydrophobicContact CB-CE2 4.32Å; L109-F122 HydrophobicContact CD2-CE2 4.24Å; L109-F122 HydrophobicContact CD2-CZ 4.09Å; M110-F122 HydrophobicContact SD-CB 4.31Å; R117-F122 VanDerWaalsContact NH2-CE2 3.29Å; L120-F122 HydrophobicContact CB-CE2 4Å; L120-F122 HydrophobicContact CB-CZ 3.98Å; L120-F122 HydrophobicContact CD1-CE2 4.46Å; L120-F122 HydrophobicContact CD1-CZ 3.81Å; F122-E254 HydrophobicContact CZ-CG 4.44Å; F122-F257 AromaticContact CE1-CD2 3.83Å; F122-F257 HydrophobicContact CE1-CD2 3.83Å; F122-F257 HydrophobicContact CE1-CE2 4.29Å; F122-F257 HydrophobicContact CZ-CD2 4.22Å
123	Q	83.7	Confident	65.7	Low	53 Å²	53	73.2 Å²	73.2	25%	0.248	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.6	169.2	-73.1	-176.4	-1.9	0	0	109.7	L88 I89 V90 L91	L88-Q123 HydrophobicContact CD1-CB 4.26Å; L88-Q123 VanDerWaalsContact CD1-CD 3.46Å; L88-Q123 HydrophobicContact CD1-CG 3.67Å; I89-Q123 PolarHBondContact O-N 2.9Å; V90-Q123 CarbonylContact C-O 3.58Å; V90-Q123 WeakPolarHBondContact CA-O 2.86Å; V90-Q123 HydrophobicContact CG2-CB 4.02Å; L91-Q123 PolarHBondContact N-O 3Å
124	L	82.1	Confident	65.1	Low	62 Å²	62	70.4 Å²	70.4	33%	0.325	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.8	170.7	-179.5	64.7	0	0	0	109.6	L91 L94 V96 W106	L91-L124 HydrophobicContact CB-CD1 4.47Å; L94-L124 HydrophobicContact CB-CD1 3.75Å; L94-L124 HydrophobicContact CD1-CD1 4.38Å; V96-L124 HydrophobicContact CB-CD2 4.25Å; V96-L124 HydrophobicContact CG2-CD2 3.46Å; V96-L124 VanDerWaalsContact CG2-CD2 3.46Å; W106-L124 HydrophobicContact CE3-CB 4.11Å; W106-L124 HydrophobicContact CH2-CB 3.96Å; W106-L124 HydrophobicContact CZ2-CB 4.49Å; W106-L124 HydrophobicContact CZ3-CB 3.76Å
125	A	75.5	Confident	64.3	Low	7 Å²	7	63.3 Å²	63.3	6%	0.058	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.8	173.8	0	0	0	0	0	110	V90 L91 L92 G127 Y130	V90-A125 HydrophobicContact CG1-CB 3.91Å; L91-A125 PolarHBondContact O-N 3.39Å; L92-A125 HydrophobicContact CD2-CB 3.47Å; L92-A125 VanDerWaalsContact CD2-CB 3.47Å; A125-G127 PolarHBondContact O-N 3.05Å; A125-Y130 VanDerWaalsContact CB-CB 3.49Å; A125-Y130 HydrophobicContact CB-CD1 4.03Å; A125-Y130 HydrophobicContact CB-CD2 3.73Å; A125-Y130 HydrophobicContact CB-CE2 4.47Å; A125-Y130 HydrophobicContact CB-CG 3.48Å; A125-Y130 VanDerWaalsContact CB-CG 3.48Å
126	S	66.1	Low	63.7	Low	89 Å²	89	58.5 Å²	58.5	62%	0.622	32%	0.317	S	S	*	.			trans	-78.8	112.9	176.3	52.2	0	0	0	0	110.6
127	G	53.7	Low	62.9	Low	51 Å²	51	55.8 Å²	55.8	53%	0.526	30%	0.298	S	S	.	.	S	Bend	trans	65.5	-174.5	167.6	0	0	0	0	0	116.2	A125 Q129 Y130	A125-G127 PolarHBondContact O-N 3.05Å; G127-Q129 PolarHBondContact O-N 3.16Å; G127-Y130 PolarHBondContact O-N 3.33Å
128	S	51.3	Low	61.6	Low	81 Å²	81	57.2 Å²	57.2	57%	0.566	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.1	-179.4	52.9	0	0	0	0	114	Y130 V131 F132	S128-Y130 VanDerWaalsContact C-N 3.35Å; S128-Y130 PolarHBondContact O-N 2.88Å; S128-V131 WeakPolarHBondContact O-CB 3.4Å; S128-V131 PolarHBondContact O-N 3.24Å; S128-V131 VanDerWaalsContact O-N 3.1Å; S128-F132 WeakPolarHBondContact O-CD2 3.23Å; S128-F132 PolarHBondContact O-N 2.86Å; S128-F132 VanDerWaalsContact O-N 3.15Å
129	Q	49	Very low	59.9	Low	137 Å²	137	62.3 Å²	62.3	64%	0.64	33%	0.332	S	S	*	.	H	α-helix	trans	-58.3	-37.7	178.7	-79.6	179.5	-12.8	0	0	113.6	G127 V131 F132 D133	G127-Q129 PolarHBondContact O-N 3.16Å; Q129-V131 VanDerWaalsContact C-N 3.29Å; Q129-V131 PolarHBondContact O-N 3.24Å; Q129-F132 PolarHBondContact O-N 2.7Å; Q129-D133 WeakPolarHBondContact O-CB 3.27Å; Q129-D133 PolarHBondContact O-N 3.22Å
130	Y	53.2	Low	58.1	Low	35 Å²	35	70.5 Å²	70.5	14%	0.137	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-35.7	176.3	-175.5	-97.6	0	0	0	112.4	V90 L92 A125 G127 S128 F132 D133 L134 Q171 L176	V90-Y130 HydrophobicContact CB-CE1 4.43Å; V90-Y130 HydrophobicContact CG1-CD1 4.15Å; V90-Y130 HydrophobicContact CG1-CE1 3.73Å; V90-Y130 HydrophobicContact CG2-CE1 4.28Å; V90-Y130 WeakPolarHBondContact CG2-OH 3.18Å; L92-Y130 HydrophobicContact CD2-CD1 4.41Å; A125-Y130 VanDerWaalsContact CB-CB 3.49Å; A125-Y130 HydrophobicContact CB-CD1 4.03Å; A125-Y130 HydrophobicContact CB-CD2 3.73Å; A125-Y130 HydrophobicContact CB-CE2 4.47Å; A125-Y130 HydrophobicContact CB-CG 3.48Å; A125-Y130 VanDerWaalsContact CB-CG 3.48Å; G127-Y130 PolarHBondContact O-N 3.33Å; S128-Y130 VanDerWaalsContact C-N 3.35Å; S128-Y130 PolarHBondContact O-N 2.88Å; Y130-F132 VanDerWaalsContact C-N 3.34Å; Y130-D133 PolarHBondContact O-N 2.8Å; Y130-L134 HydrophobicContact CD1-CD1 3.8Å; Y130-L134 HydrophobicContact CD1-CG 4.22Å; Y130-L134 HydrophobicContact CE1-CD1 3.41Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.41Å; Y130-L134 HydrophobicContact CE1-CD2 4.38Å; Y130-L134 HydrophobicContact CE1-CG 3.86Å; Y130-L134 WeakPolarHBondContact O-CB 3.18Å; Y130-L134 WeakPolarHBondContact O-CG 3.48Å; Y130-L134 PolarHBondContact O-N 3.48Å; Y130-Q171 PolarHBondContact OH-O 3.4Å; Y130-L176 HydrophobicContact CE1-CD2 4.47Å
131	V	50.7	Low	55.8	Low	19 Å²	19	76.3 Å²	76.3	12%	0.115	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-36	176.8	-177.1	0	0	0	0	110.7	S128 Q129 K135 I203 V206	S128-V131 WeakPolarHBondContact O-CB 3.4Å; S128-V131 PolarHBondContact O-N 3.24Å; S128-V131 VanDerWaalsContact O-N 3.1Å; Q129-V131 VanDerWaalsContact C-N 3.29Å; Q129-V131 PolarHBondContact O-N 3.24Å; V131-K135 PolarHBondContact O-N 3.15Å; V131-I203 HydrophobicContact CG2-CG1 4.46Å; V131-V206 HydrophobicContact CG1-CB 3.68Å; V131-V206 HydrophobicContact CG1-CG1 3.68Å; V131-V206 HydrophobicContact CG1-CG2 3.31Å
132	F	46.1	Very low	53.2	Low	128 Å²	128	77.8 Å²	77.8	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-73.9	-36.5	173.9	-68.9	-70	0	0	0	112.8	S128 Q129 Y130 K135 A136	S128-F132 WeakPolarHBondContact O-CD2 3.23Å; S128-F132 PolarHBondContact O-N 2.86Å; S128-F132 VanDerWaalsContact O-N 3.15Å; Q129-F132 PolarHBondContact O-N 2.7Å; Y130-F132 VanDerWaalsContact C-N 3.34Å; F132-K135 CarbonylContact O-C 3.58Å; F132-K135 WeakPolarHBondContact O-CB 3.45Å; F132-K135 PolarHBondContact O-N 3.4Å; F132-A136 WeakPolarHBondContact O-CB 3.29Å; F132-A136 PolarHBondContact O-N 2.83Å
133	D	49.6	Very low	50.5	Low	81 Å²	81	86.1 Å²	86.1	43%	0.433	43%	0.431	S	S	.	.	H	α-helix	trans	-68.6	-36.1	174.6	-87.6	-10.9	0	0	0	112.4	Q129 Y130 A136 K137	Q129-D133 WeakPolarHBondContact O-CB 3.27Å; Q129-D133 PolarHBondContact O-N 3.22Å; Y130-D133 PolarHBondContact O-N 2.8Å; D133-A136 PolarHBondContact O-N 3.47Å; D133-K137 WeakPolarHBondContact O-CB 3.34Å; D133-K137 WeakPolarHBondContact O-CG 3.42Å; D133-K137 PolarHBondContact O-N 3.33Å
134	L	48.9	Very low	47.8	Very low	21 Å²	21	88.8 Å²	88.8	11%	0.11	45%	0.452	C	S	.	.	H	α-helix	trans	-60.6	-45.8	169.3	-78.7	173.7	0	0	0	110.6	Y130 A136 K137 V138 Q171	Y130-L134 HydrophobicContact CD1-CD1 3.8Å; Y130-L134 HydrophobicContact CD1-CG 4.22Å; Y130-L134 HydrophobicContact CE1-CD1 3.41Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.41Å; Y130-L134 HydrophobicContact CE1-CD2 4.38Å; Y130-L134 HydrophobicContact CE1-CG 3.86Å; Y130-L134 WeakPolarHBondContact O-CB 3.18Å; Y130-L134 WeakPolarHBondContact O-CG 3.48Å; Y130-L134 PolarHBondContact O-N 3.48Å; L134-A136 PolarHBondContact O-N 3.31Å; L134-K137 PolarHBondContact O-N 2.82Å; L134-V138 WeakPolarHBondContact O-CB 3.31Å; L134-V138 WeakPolarHBondContact O-CG2 3.41Å; L134-V138 PolarHBondContact O-N 2.74Å; L134-Q171 WeakPolarHBondContact CD2-O 3.5Å
135	K	44.1	Very low	45.2	Very low	65 Å²	65	90.8 Å²	90.8	28%	0.283	47%	0.467	S	S	.	.	H	α-helix	trans	-61.2	-42.8	173.3	-84.2	-178.4	170.1	168.6	0	112.6	V131 F132 R139 V206	V131-K135 PolarHBondContact O-N 3.15Å; F132-K135 CarbonylContact O-C 3.58Å; F132-K135 WeakPolarHBondContact O-CB 3.45Å; F132-K135 PolarHBondContact O-N 3.4Å; K135-R139 WeakPolarHBondContact O-CA 3.31Å; K135-R139 WeakPolarHBondContact O-CB 3.39Å; K135-R139 WeakPolarHBondContact O-CG 3.1Å; K135-R139 PolarHBondContact O-N 3.48Å; K135-V206 HydrophobicContact CD-CG1 4.26Å; K135-V206 HydrophobicContact CD-CG2 4.18Å; K135-V206 HydrophobicContact CG-CG1 3.75Å
136	A	45.6	Very low	43	Very low	25 Å²	25	100.9 Å²	100.9	21%	0.207	51%	0.51	C	S	.	.	H	α-helix	trans	-70.1	-36	-180	0	0	0	0	0	112	F132 D133 L134 R140	F132-A136 WeakPolarHBondContact O-CB 3.29Å; F132-A136 PolarHBondContact O-N 2.83Å; D133-A136 PolarHBondContact O-N 3.47Å; L134-A136 PolarHBondContact O-N 3.31Å; A136-R140 WeakPolarHBondContact O-CB 3.36Å; A136-R140 WeakPolarHBondContact O-CG 3.41Å; A136-R140 PolarHBondContact O-N 3.16Å
137	K	45.6	Very low	41.2	Very low	92 Å²	92	107.4 Å²	107.4	40%	0.4	52%	0.521	S	S	.	.	H	α-helix	trans	-73.5	-38.7	174.8	-72.4	170.1	-177.6	170.2	0	111.9	D133 L134 N141	D133-K137 WeakPolarHBondContact O-CB 3.34Å; D133-K137 WeakPolarHBondContact O-CG 3.42Å; D133-K137 PolarHBondContact O-N 3.33Å; L134-K137 PolarHBondContact O-N 2.82Å; K137-N141 WeakPolarHBondContact O-CB 3.49Å; K137-N141 PolarHBondContact O-N 2.64Å; K137-N141 PolarHBondContact O-ND2 2.95Å
138	V	44.4	Very low	40.4	Very low	86 Å²	86	106.9 Å²	106.9	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-45.9	174.1	174	0	0	0	0	110.5	L134 N141 F142	L134-V138 WeakPolarHBondContact O-CB 3.31Å; L134-V138 WeakPolarHBondContact O-CG2 3.41Å; L134-V138 PolarHBondContact O-N 2.74Å; V138-N141 CarbonylContact O-C 3.55Å; V138-N141 PolarHBondContact O-N 3.15Å; V138-F142 VanDerWaalsContact O-CB 3.32Å; V138-F142 WeakPolarHBondContact O-CB 3.42Å; V138-F142 PolarHBondContact O-N 3.18Å
139	R	36	Very low	39.6	Very low	179 Å²	179	108 Å²	108	68%	0.675	51%	0.505	S	S	*	.	H	α-helix	trans	-73.8	-32.8	178.4	-77.3	-178.9	166.5	173.6	-5.8	114.7	K135 N141 F142 K143	K135-R139 WeakPolarHBondContact O-CA 3.31Å; K135-R139 WeakPolarHBondContact O-CB 3.39Å; K135-R139 WeakPolarHBondContact O-CG 3.1Å; K135-R139 PolarHBondContact O-N 3.48Å; R139-N141 PolarHBondContact O-N 3.11Å; R139-F142 CarbonylContact O-C 2.92Å; R139-F142 WeakPolarHBondContact O-CA 3.32Å; R139-F142 PolarHBondContact O-N 3.31Å; R139-K143 PolarHBondContact O-N 2.99Å
140	R	37.2	Very low	38.7	Very low	201 Å²	201	110.3 Å²	110.3	76%	0.758	52%	0.516	S	S	*	.	H	α-helix	trans	-66.3	-26.8	171.2	-75.6	179.4	-166.3	126.1	-0.8	111.5	A136 F142	A136-R140 WeakPolarHBondContact O-CB 3.36Å; A136-R140 WeakPolarHBondContact O-CG 3.41Å; A136-R140 PolarHBondContact O-N 3.16Å; R140-F142 VanDerWaalsContact C-N 3.34Å
141	N	36.3	Very low	37.7	Very low	126 Å²	126	113 Å²	113	67%	0.674	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.3	167.8	-68.6	-18.1	0	0	0	113.5	K137 V138 R139	K137-N141 WeakPolarHBondContact O-CB 3.49Å; K137-N141 PolarHBondContact O-N 2.64Å; K137-N141 PolarHBondContact O-ND2 2.95Å; V138-N141 CarbonylContact O-C 3.55Å; V138-N141 PolarHBondContact O-N 3.15Å; R139-N141 PolarHBondContact O-N 3.11Å
142	F	31.7	Very low	37.3	Very low	86 Å²	86	115.5 Å²	115.5	38%	0.377	55%	0.548	S	S	.	.			trans	-135.7	77.5	-178	-98.2	-103.4	0	0	0	109.2	V138 R139 R140 P144 E149	V138-F142 VanDerWaalsContact O-CB 3.32Å; V138-F142 WeakPolarHBondContact O-CB 3.42Å; V138-F142 PolarHBondContact O-N 3.18Å; R139-F142 CarbonylContact O-C 2.92Å; R139-F142 WeakPolarHBondContact O-CA 3.32Å; R139-F142 PolarHBondContact O-N 3.31Å; R140-F142 VanDerWaalsContact C-N 3.34Å; F142-P144 VanDerWaalsContact O-CD 3.24Å; F142-P144 WeakPolarHBondContact O-CD 3.19Å; F142-E149 HydrophobicContact CE1-CG 4.18Å; F142-E149 WeakPolarHBondContact CE1-OE1 3.38Å; F142-E149 HydrophobicContact CZ-CG 4.39Å
143	K	29.1	Very low	37.3	Very low	185 Å²	185	112.6 Å²	112.6	80%	0.804	54%	0.539	S	S	*	.			trans	-71.1	112.9	144	-91.7	-174.7	176.7	-179.6	0	105	R139 T145	R139-K143 PolarHBondContact O-N 2.99Å; K143-T145 PolarHBondContact O-N 2.89Å
144	P	27.9	Very low	37.3	Very low	108 Å²	108	110.8 Å²	110.8	70%	0.701	53%	0.532	S	S	*	.			trans	-77.7	78	-179.9	32.4	-31.4	0	0	0	108.4	F142 K146	F142-P144 VanDerWaalsContact O-CD 3.24Å; F142-P144 WeakPolarHBondContact O-CD 3.19Å; P144-K146 PolarHBondContact O-N 3.39Å
145	T	26.2	Very low	37.3	Very low	105 Å²	105	111.1 Å²	111.1	64%	0.644	54%	0.538	S	S	*	.			trans	-73.1	112	152	-0.1	0	0	0	0	105	K143 R147 S148	K143-T145 PolarHBondContact O-N 2.89Å; T145-R147 PolarHBondContact O-N 3.48Å; T145-S148 PolarHBondContact O-N 2.96Å; T145-S148 VanDerWaalsContact O-N 3.08Å
146	K	30.1	Very low	37.6	Very low	219 Å²	219	114.3 Å²	114.3	95%	0.952	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	8.7	-177.5	-77.2	-179.5	173	178.8	0	115.9	P144	P144-K146 PolarHBondContact O-N 3.39Å
147	R	28.5	Very low	38.6	Very low	226 Å²	226	114.8 Å²	114.8	85%	0.853	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-6.5	175.8	-84.3	-179.9	170.6	169.9	-3.5	115	T145 V151	T145-R147 PolarHBondContact O-N 3.48Å; R147-V151 WeakPolarHBondContact O-CG2 3.4Å
148	S	36.7	Very low	40.2	Very low	40 Å²	40	110.5 Å²	110.5	28%	0.28	54%	0.538	S	S	.	.	S	Bend	trans	-91.4	-20.6	-170.8	77.6	0	0	0	0	117.1	T145 H150 V151 D152	T145-S148 PolarHBondContact O-N 2.96Å; T145-S148 VanDerWaalsContact O-N 3.08Å; S148-H150 PolarHBondContact O-N 2.87Å; S148-V151 PolarHBondContact O-N 3.27Å; S148-V151 VanDerWaalsContact O-N 3.11Å; S148-D152 PolarHBondContact O-N 2.71Å
149	E	34.5	Very low	42.3	Very low	104 Å²	104	106.4 Å²	106.4	49%	0.486	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.3	179.8	-77.1	-173.8	164.1	0	0	112.6	F142 R209	F142-E149 HydrophobicContact CE1-CG 4.18Å; F142-E149 WeakPolarHBondContact CE1-OE1 3.38Å; F142-E149 HydrophobicContact CZ-CG 4.39Å; E149-R209 IonicContact OE1-CZ 3.81Å; E149-R209 IonicContact OE1-NH1 2.84Å; E149-R209 PolarHBondContact OE1-NH1 3.28Å; E149-R209 IonicContact OE1-NH2 3.8Å
150	H	30.5	Very low	44.8	Very low	186 Å²	186	98 Å²	98	86%	0.861	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-13.4	174.7	-72.1	-64.5	0	0	0	114.3	S148	S148-H150 PolarHBondContact O-N 2.87Å
151	V	33	Very low	47.1	Very low	91 Å²	91	91.6 Å²	91.6	55%	0.552	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-20	178.2	-178	0	0	0	0	111.3	R147 S148 D153 S154	R147-V151 WeakPolarHBondContact O-CG2 3.4Å; S148-V151 PolarHBondContact O-N 3.27Å; S148-V151 VanDerWaalsContact O-N 3.11Å; V151-D153 VanDerWaalsContact C-N 3.26Å; V151-D153 PolarHBondContact O-N 3.25Å; V151-S154 VanDerWaalsContact O-CB 3.3Å; V151-S154 WeakPolarHBondContact O-CB 3.32Å; V151-S154 PolarHBondContact O-N 3.13Å; V151-S154 PolarHBondContact O-OG 2.95Å
152	D	40.8	Very low	49.3	Very low	72 Å²	72	86.6 Å²	86.6	39%	0.385	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.9	-177.6	-93.5	-43.1	0	0	0	115.9	S148 K161	S148-D152 PolarHBondContact O-N 2.71Å; D152-K161 IonicContact OD1-NZ 3.71Å
153	D	47.5	Very low	51.7	Low	67 Å²	67	86.3 Å²	86.3	36%	0.358	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.4	175.6	-80.1	-29.3	0	0	0	112.2	V151 A155 L287 R290 Y291	V151-D153 VanDerWaalsContact C-N 3.26Å; V151-D153 PolarHBondContact O-N 3.25Å; D153-A155 PolarHBondContact O-N 3.42Å; D153-L287 WeakPolarHBondContact O-CD1 3.43Å; D153-R290 IonicContact OD1-NH1 3.56Å; D153-Y291 PolarHBondContact OD1-OH 3.07Å; D153-Y291 PolarHBondContact OD2-OH 2.87Å
154	S	48.7	Very low	54.5	Low	42 Å²	42	78.6 Å²	78.6	29%	0.294	41%	0.405	S	S	.	.			trans	-54	125.1	170.4	42.7	0	0	0	0	110.1	V151 D156	V151-S154 VanDerWaalsContact O-CB 3.3Å; V151-S154 WeakPolarHBondContact O-CB 3.32Å; V151-S154 PolarHBondContact O-N 3.13Å; V151-S154 PolarHBondContact O-OG 2.95Å; S154-D156 PolarHBondContact O-N 2.87Å; S154-D156 VanDerWaalsContact O-N 3.11Å
155	A	49.6	Very low	57.3	Low	28 Å²	28	73.5 Å²	73.5	23%	0.231	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-62.2	-17.2	-176.3	0	0	0	0	0	113.1	D153 M157 L287	D153-A155 PolarHBondContact O-N 3.42Å; A155-M157 PolarHBondContact O-N 3.11Å; A155-L287 HydrophobicContact CB-CD1 4.14Å; A155-L287 HydrophobicContact CB-CG 4.36Å
156	D	50	Low	60.1	Low	133 Å²	133	71.1 Å²	71.1	71%	0.711	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-84.5	-7.2	-163.9	-64.4	-27.1	0	0	0	115	S154	S154-D156 PolarHBondContact O-N 2.87Å; S154-D156 VanDerWaalsContact O-N 3.11Å
157	M	67.1	Low	62.6	Low	35 Å²	35	65 Å²	65	17%	0.172	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-106.9	-12.7	-170.1	-63.5	-65.3	-75.9	0	0	116.1	A155 Y453 Q456	A155-M157 PolarHBondContact O-N 3.11Å; M157-Y453 HydrophobicContact CB-CE2 3.76Å; M157-Y453 WeakPolarHBondContact O-CD2 3Å; M157-Y453 WeakPolarHBondContact O-CE2 3.29Å; M157-Q456 VanDerWaalsContact O-CD 3.23Å; M157-Q456 PolarHBondContact O-NE2 3.42Å; M157-Q456 PolarHBondContact O-OE1 3.4Å
158	G	79	Confident	65.3	Low	1 Å²	1	54.7 Å²	54.7	1%	0.01	29%	0.288	C	S	.	.			trans	150.1	177.6	176.2	0	0	0	0	0	116.3	R290 E331	G158-R290 PolarHBondContact O-NH2 2.83Å; G158-E331 WeakPolarHBondContact CA-OE1 3.2Å
159	I	87.5	Confident	67.6	Low	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-94.4	-58.5	-175.7	-58.2	175.6	0	0	0	111.8	R286 V289 R290 I322 E331 L332 I335	I159-R286 HydrophobicContact CG1-CB 4.13Å; I159-R286 HydrophobicContact CG1-CG 4.05Å; I159-V289 HydrophobicContact CG2-CB 4.21Å; I159-V289 HydrophobicContact CG2-CG1 3.79Å; I159-R290 HydrophobicContact CG2-CB 4.44Å; I159-R290 VanDerWaalsContact O-CB 3.23Å; I159-R290 WeakPolarHBondContact O-CB 3.35Å; I159-R290 WeakPolarHBondContact O-CD 3.36Å; I159-R290 WeakPolarHBondContact O-CG 3.04Å; I159-R290 PolarHBondContact O-NE 3.34Å; I159-I322 HydrophobicContact CD1-CD1 4.39Å; I159-E331 HydrophobicContact CD1-CG 4.15Å; I159-E331 HydrophobicContact CG1-CG 4.28Å; I159-E331 PolarHBondContact N-OE1 2.97Å; I159-L332 HydrophobicContact CD1-CD2 3.76Å; I159-I335 HydrophobicContact CB-CG1 4.17Å; I159-I335 HydrophobicContact CD1-CG1 4.31Å; I159-I335 HydrophobicContact CG2-CG1 4.29Å; I159-I335 HydrophobicContact CG2-CG2 4.12Å
160	L	88.5	Confident	69.9	Low	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-129.8	122.8	-174.7	-172.9	68.2	0	0	0	111.8	W164 M165 F293 I335 F338 Y453 Y454	L160-W164 HydrophobicContact CD1-CD2 4.4Å; L160-W164 HydrophobicContact CD1-CE3 3.96Å; L160-M165 HydrophobicContact CD2-CE 4.39Å; L160-F293 HydrophobicContact CD1-CD1 3.89Å; L160-F293 HydrophobicContact CD1-CE1 4.12Å; L160-F293 HydrophobicContact CD2-CD1 3.97Å; L160-F293 HydrophobicContact CD2-CE1 3.6Å; L160-F293 HydrophobicContact CD2-CE2 4.44Å; L160-F293 HydrophobicContact CD2-CZ 3.88Å; L160-I335 HydrophobicContact CB-CD1 3.7Å; L160-I335 HydrophobicContact CD2-CD1 4.39Å; L160-F338 HydrophobicContact CD2-CD2 4.49Å; L160-Y453 CarbonylContact O-C 3.34Å; L160-Y453 VanDerWaalsContact O-CA 3.25Å; L160-Y453 WeakPolarHBondContact O-CA 3.26Å; L160-Y454 HydrophobicContact CB-CD2 4.05Å; L160-Y454 HydrophobicContact CD2-CD2 3.79Å; L160-Y454 HydrophobicContact CD2-CE2 3.94Å; L160-Y454 HydrophobicContact CG-CD2 3.84Å; L160-Y454 HydrophobicContact CG-CE2 4.11Å; L160-Y454 WeakPolarHBondContact O-CD2 3.01Å; L160-Y454 PolarHBondContact O-N 2.98Å
161	K	87.2	Confident	72.3	Confident	66 Å²	66	45.9 Å²	45.9	29%	0.287	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-69.1	138.6	179.5	-67.4	-175.7	179.1	-178.3	0	111.1	D152 T163 W164 R452 Y453 Y454	D152-K161 IonicContact OD1-NZ 3.71Å; K161-T163 VanDerWaalsContact C-N 3.27Å; K161-T163 PolarHBondContact O-N 3.01Å; K161-W164 HydrophobicContact CB-CB 4.24Å; K161-W164 WeakPolarHBondContact O-CB 3.28Å; K161-W164 PolarHBondContact O-N 3.17Å; K161-W164 VanDerWaalsContact O-N 3.16Å; K161-R452 VanDerWaalsContact CA-O 3.27Å; K161-R452 WeakPolarHBondContact CA-O 3.04Å; K161-Y453 HydrophobicContact CB-CD1 4.41Å; K161-Y453 HydrophobicContact CB-CE1 4.38Å; K161-Y453 HydrophobicContact CD-CE1 4.25Å; K161-Y453 WeakPolarHBondContact CE-OH 3.47Å; K161-Y453 HydrophobicContact CG-CD1 3.76Å; K161-Y453 HydrophobicContact CG-CE1 3.29Å; K161-Y454 WeakPolarHBondContact O-CE2 3.4Å
162	T	81.9	Confident	74.5	Confident	21 Å²	21	42.5 Å²	42.5	13%	0.129	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.6	-178.4	50	0	0	0	0	113.3	V451 R452 Y454	T162-V451 HydrophobicContact CG2-CG1 4.38Å; T162-V451 PolarHBondContact OG1-O 3.06Å; T162-V451 VanDerWaalsContact OG1-O 3.13Å; T162-R452 PolarHBondContact N-O 2.81Å; T162-R452 PolarHBondContact OG1-O 3.16Å; T162-Y454 HydrophobicContact CG2-CD1 4.04Å; T162-Y454 HydrophobicContact CG2-CE1 4.15Å; T162-Y454 HydrophobicContact CG2-CG 4.24Å; T162-Y454 PolarHBondContact O-OH 2.72Å
163	T	81.6	Confident	76.5	Confident	80 Å²	80	39.1 Å²	39.1	49%	0.491	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.2	-178.7	56	0	0	0	0	114.1	K161 K167	K161-T163 VanDerWaalsContact C-N 3.27Å; K161-T163 PolarHBondContact O-N 3.01Å; T163-K167 WeakPolarHBondContact O-CB 3.21Å; T163-K167 PolarHBondContact O-N 3.37Å
164	W	87.3	Confident	78.2	Confident	24 Å²	24	36 Å²	36	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-44.2	-167.6	-176.9	79.3	0	0	0	113.4	L160 K161 K167 H168 F293 K294 F297 F298	L160-W164 HydrophobicContact CD1-CD2 4.4Å; L160-W164 HydrophobicContact CD1-CE3 3.96Å; K161-W164 HydrophobicContact CB-CB 4.24Å; K161-W164 WeakPolarHBondContact O-CB 3.28Å; K161-W164 PolarHBondContact O-N 3.17Å; K161-W164 VanDerWaalsContact O-N 3.16Å; W164-K167 WeakPolarHBondContact O-CB 3.3Å; W164-K167 PolarHBondContact O-N 3.42Å; W164-H168 AromaticContact CE2-CD2 3.6Å; W164-H168 AromaticContact CE2-NE2 3.72Å; W164-H168 AromaticContact CZ2-CD2 3.69Å; W164-H168 AromaticContact CZ2-NE2 3.83Å; W164-H168 AromaticContact NE1-CD2 3.64Å; W164-H168 AromaticContact NE1-NE2 3.38Å; W164-H168 PolarHBondContact NE1-NE2 3.34Å; W164-H168 PolarHBondContact O-CD2 3.39Å; W164-F293 HydrophobicContact CZ3-CD1 4.3Å; W164-F293 HydrophobicContact CZ3-CE1 4.07Å; W164-K294 HydrophobicContact CD2-CG 4.37Å; W164-K294 HydrophobicContact CE3-CG 4.48Å; W164-K294 HydrophobicContact CH2-CB 3.89Å; W164-K294 HydrophobicContact CH2-CD 4.4Å; W164-K294 HydrophobicContact CH2-CG 3.59Å; W164-K294 HydrophobicContact CZ2-CB 3.9Å; W164-K294 HydrophobicContact CZ2-CD 3.74Å; W164-K294 HydrophobicContact CZ2-CG 3.42Å; W164-K294 VanDerWaalsContact CZ2-CG 3.42Å; W164-K294 HydrophobicContact CZ3-CG 4.12Å; W164-F297 HydrophobicContact CH2-CB 4Å; W164-F297 AromaticContact CH2-CD1 3.65Å; W164-F297 HydrophobicContact CH2-CD1 3.65Å; W164-F297 HydrophobicContact CH2-CE1 4.41Å; W164-F297 HydrophobicContact CH2-CG 4.01Å; W164-F297 HydrophobicContact CZ3-CB 4.07Å; W164-F297 AromaticContact CZ3-CD1 3.75Å; W164-F297 HydrophobicContact CZ3-CD1 3.75Å; W164-F297 HydrophobicContact CZ3-CE1 4.29Å; W164-F297 AromaticContact CZ3-CG 3.86Å; W164-F297 HydrophobicContact CZ3-CG 3.86Å; W164-F298 HydrophobicContact CH2-CE1 4.47Å; W164-F298 HydrophobicContact CH2-CZ 4.25Å; W164-F298 HydrophobicContact CZ2-CE1 4.22Å; W164-F298 HydrophobicContact CZ2-CE2 4.05Å; W164-F298 AromaticContact CZ2-CZ 3.66Å; W164-F298 HydrophobicContact CZ2-CZ 3.66Å
165	M	86.9	Confident	79.8	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-44.5	178.8	-67.1	-174.2	-73.2	0	0	111.1	P78 E80 L81 L160 K167 H168 L169 F293 F297 Y454	P78-M165 HydrophobicContact CB-CE 4.33Å; P78-M165 HydrophobicContact CG-CE 3.79Å; E80-M165 HydrophobicContact CB-CB 3.77Å; E80-M165 HydrophobicContact CB-CE 4.34Å; E80-M165 HydrophobicContact CB-SD 4.43Å; E80-M165 HydrophobicContact CG-CB 4.15Å; L81-M165 HydrophobicContact CD1-CE 4.33Å; L81-M165 HydrophobicContact CD2-CE 4.13Å; L81-M165 HydrophobicContact CD2-SD 3.53Å; L81-M165 VanDerWaalsContact CD2-SD 3.53Å; L81-M165 HydrophobicContact CG-CE 3.85Å; L81-M165 HydrophobicContact CG-SD 3.88Å; L160-M165 HydrophobicContact CD2-CE 4.39Å; M165-K167 VanDerWaalsContact C-N 3.26Å; M165-K167 PolarHBondContact O-N 3.1Å; M165-H168 PolarHBondContact O-N 2.81Å; M165-L169 WeakPolarHBondContact O-CG 3.31Å; M165-L169 PolarHBondContact O-N 3.16Å; M165-L169 VanDerWaalsContact O-N 3.14Å; M165-F293 HydrophobicContact CG-CE1 4.45Å; M165-F293 HydrophobicContact SD-CE1 4.18Å; M165-F293 HydrophobicContact SD-CZ 3.99Å; M165-F297 HydrophobicContact CB-CE2 4.49Å; M165-F297 HydrophobicContact CB-CZ 4.32Å; M165-F297 HydrophobicContact CG-CE2 4.16Å; M165-F297 HydrophobicContact CG-CZ 4.37Å; M165-F297 HydrophobicContact SD-CE2 4.25Å; M165-Y454 HydrophobicContact CE-CE1 4.49Å; M165-Y454 HydrophobicContact CE-CE2 3.57Å; M165-Y454 VanDerWaalsContact CE-CZ 3.5Å; M165-Y454 WeakPolarHBondContact CE-OH 3.16Å
166	Q	84.7	Confident	81.3	Confident	55 Å²	55	32.8 Å²	32.8	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-58.7	-39	177.6	-165.8	-172.1	16.5	0	0	111.8	E80 H168 L169 Q170	E80-Q166 HydrophobicContact CG-CB 4.25Å; Q166-H168 VanDerWaalsContact C-N 3.34Å; Q166-H168 PolarHBondContact O-N 2.83Å; Q166-L169 PolarHBondContact O-N 3.21Å; Q166-Q170 HydrophobicContact CG-CB 4.36Å; Q166-Q170 HydrophobicContact CG-CG 4.45Å; Q166-Q170 VanDerWaalsContact NE2-OE1 3.1Å; Q166-Q170 PolarHBondContact O-N 2.97Å
167	K	84.1	Confident	82.6	Confident	92 Å²	92	26.5 Å²	26.5	40%	0.4	13%	0.13	S	C	.	.	I	π-helix	trans	-53.4	-48.6	176.6	180	-175.9	175.6	-176.6	0	111.9	T163 W164 M165 Q171 V172	T163-K167 WeakPolarHBondContact O-CB 3.21Å; T163-K167 PolarHBondContact O-N 3.37Å; W164-K167 WeakPolarHBondContact O-CB 3.3Å; W164-K167 PolarHBondContact O-N 3.42Å; M165-K167 VanDerWaalsContact C-N 3.26Å; M165-K167 PolarHBondContact O-N 3.1Å; K167-Q171 WeakPolarHBondContact O-CB 3.39Å; K167-Q171 PolarHBondContact O-N 3.2Å; K167-V172 HydrophobicContact CD-CG2 4.39Å; K167-V172 HydrophobicContact CG-CG2 3.66Å; K167-V172 PolarHBondContact O-N 3.21Å
168	H	84.8	Confident	83.1	Confident	8 Å²	8	25.5 Å²	25.5	4%	0.037	13%	0.125	C	C	.	.	I	π-helix	trans	-84.1	-20	-175.4	-71.5	-79	0	0	0	114.4	W164 M165 Q166 Y265 F297 F298	W164-H168 AromaticContact CE2-CD2 3.6Å; W164-H168 AromaticContact CE2-NE2 3.72Å; W164-H168 AromaticContact CZ2-CD2 3.69Å; W164-H168 AromaticContact CZ2-NE2 3.83Å; W164-H168 AromaticContact NE1-CD2 3.64Å; W164-H168 AromaticContact NE1-NE2 3.38Å; W164-H168 PolarHBondContact NE1-NE2 3.34Å; W164-H168 PolarHBondContact O-CD2 3.39Å; M165-H168 PolarHBondContact O-N 2.81Å; Q166-H168 VanDerWaalsContact C-N 3.34Å; Q166-H168 PolarHBondContact O-N 2.83Å; H168-Y265 PolarHBondContact O-OH 3.49Å; H168-F297 HydrophobicContact CB-CE1 4.31Å; H168-F298 AromaticContact CE1-CE1 3.8Å; H168-F298 AromaticContact CE1-CZ 3.71Å; H168-F298 AromaticContact ND1-CE1 3.75Å; H168-F298 AromaticContact NE2-CZ 3.86Å
169	L	85.2	Confident	82.9	Confident	11 Å²	11	25.8 Å²	25.8	6%	0.058	13%	0.126	C	C	.	.	I	π-helix	trans	-89.8	-32.5	177.8	-69.4	172.8	0	0	0	113.7	E80 M165 Q166 F297 L301	E80-L169 HydrophobicContact CB-CD1 3.89Å; E80-L169 HydrophobicContact CG-CD1 4.17Å; M165-L169 WeakPolarHBondContact O-CG 3.31Å; M165-L169 PolarHBondContact O-N 3.16Å; M165-L169 VanDerWaalsContact O-N 3.14Å; Q166-L169 PolarHBondContact O-N 3.21Å; L169-F297 HydrophobicContact CD1-CZ 3.98Å; L169-F297 HydrophobicContact CD2-CZ 4.04Å; L169-F297 HydrophobicContact CG-CZ 3.87Å; L169-L301 HydrophobicContact CD2-CD2 4.27Å
170	Q	83.1	Confident	82.3	Confident	84 Å²	84	26.6 Å²	26.6	39%	0.393	13%	0.131	S	C	.	.	I	π-helix	trans	-128.8	-21.4	-167.3	-62.2	178.6	-0	0	0	114.8	Q166	Q166-Q170 HydrophobicContact CG-CB 4.36Å; Q166-Q170 HydrophobicContact CG-CG 4.45Å; Q166-Q170 VanDerWaalsContact NE2-OE1 3.1Å; Q166-Q170 PolarHBondContact O-N 2.97Å
171	Q	79.2	Confident	81.5	Confident	51 Å²	51	29.3 Å²	29.3	24%	0.238	15%	0.146	C	C	.	.	I	π-helix	trans	-111.5	-44.6	-170.1	-55.8	-178.7	-3.2	0	0	113.3	Y130 L134 K167 P173	Y130-Q171 PolarHBondContact OH-O 3.4Å; L134-Q171 WeakPolarHBondContact CD2-O 3.5Å; K167-Q171 WeakPolarHBondContact O-CB 3.39Å; K167-Q171 PolarHBondContact O-N 3.2Å; Q171-P173 VanDerWaalsContact O-CD 3.3Å; Q171-P173 WeakPolarHBondContact O-CD 3.34Å
172	V	80.9	Confident	80.6	Confident	19 Å²	19	26.7 Å²	26.7	12%	0.115	14%	0.135	C	C	.	.	S	Bend	trans	-99.2	106.4	-178.4	-178.9	0	0	0	0	109	K167 Y264	K167-V172 HydrophobicContact CD-CG2 4.39Å; K167-V172 HydrophobicContact CG-CG2 3.66Å; K167-V172 PolarHBondContact O-N 3.21Å; V172-Y264 WeakPolarHBondContact CG1-OH 3.43Å
173	P	82.5	Confident	79.9	Confident	1 Å²	1	29 Å²	29	1%	0.006	15%	0.147	C	C	.	.			trans	-70.9	137.9	175.5	27.1	-31.4	0	0	0	111	L88 V90 Q171 V175 L176 N211	L88-P173 HydrophobicContact CD2-CB 4.46Å; L88-P173 HydrophobicContact CG-CB 4.31Å; V90-P173 HydrophobicContact CB-CB 3.95Å; V90-P173 HydrophobicContact CB-CG 4.3Å; V90-P173 HydrophobicContact CG2-CB 3.65Å; V90-P173 HydrophobicContact CG2-CG 4.08Å; Q171-P173 VanDerWaalsContact O-CD 3.3Å; Q171-P173 WeakPolarHBondContact O-CD 3.34Å; P173-V175 VanDerWaalsContact C-N 3.31Å; P173-L176 HydrophobicContact CB-CD2 4.43Å; P173-L176 HydrophobicContact CB-CG 4.41Å; P173-L176 HydrophobicContact CG-CD1 4.36Å; P173-L176 HydrophobicContact CG-CD2 3.83Å; P173-L176 HydrophobicContact CG-CG 3.85Å; P173-N211 PolarHBondContact O-OD1 3.14Å
174	A	83.2	Confident	78.9	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.008	13%	0.133	C	C	.	.	S	Bend	trans	-68.3	-36.3	169.9	0	0	0	0	0	111.1	L88 A261 Y264 Y265	L88-A174 PolarHBondContact O-N 3.48Å; A174-A261 HydrophobicContact CB-CB 3.94Å; A174-Y264 HydrophobicContact CB-CD1 3.46Å; A174-Y264 VanDerWaalsContact CB-CD1 3.46Å; A174-Y264 HydrophobicContact CB-CE1 4.1Å; A174-Y264 HydrophobicContact CB-CG 3.99Å; A174-Y265 HydrophobicContact CB-CD2 4.27Å; A174-Y265 HydrophobicContact CB-CE2 3.55Å
175	V	82.4	Confident	77.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.1	-179	-177.4	0	0	0	0	109.8	I89 V90 P173 V177 V213 F215 L260 A261	I89-V175 HydrophobicContact CG1-CB 4.28Å; I89-V175 HydrophobicContact CG2-CB 4.37Å; V90-V175 PolarHBondContact N-O 3.03Å; P173-V175 VanDerWaalsContact C-N 3.31Å; V175-V177 HydrophobicContact CG1-CG2 3.99Å; V175-V213 HydrophobicContact CG1-CG1 3.92Å; V175-F215 HydrophobicContact CG1-CD2 4.5Å; V175-L260 HydrophobicContact CG1-CD1 4.39Å; V175-L260 HydrophobicContact CG2-CB 3.65Å; V175-A261 HydrophobicContact CG2-CB 3.91Å
176	L	80.4	Confident	76.9	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.7	168.8	-76.8	163.8	0	0	0	109.5	V90 L92 Y130 P173 I203 N207 N211 V213 F215	V90-L176 HydrophobicContact CB-CD2 3.73Å; V90-L176 HydrophobicContact CG1-CD2 3.76Å; L92-L176 HydrophobicContact CD1-CD2 4.1Å; Y130-L176 HydrophobicContact CE1-CD2 4.47Å; P173-L176 HydrophobicContact CB-CD2 4.43Å; P173-L176 HydrophobicContact CB-CG 4.41Å; P173-L176 HydrophobicContact CG-CD1 4.36Å; P173-L176 HydrophobicContact CG-CD2 3.83Å; P173-L176 HydrophobicContact CG-CG 3.85Å; L176-I203 HydrophobicContact CD1-CG2 4.27Å; L176-N207 WeakPolarHBondContact CD1-ND2 3.41Å; L176-N211 HydrophobicContact CD1-CB 4.3Å; L176-N211 WeakPolarHBondContact CD1-ND2 3.49Å; L176-V213 PolarHBondContact N-O 2.91Å; L176-F215 PolarHBondContact O-N 2.82Å; L176-F215 VanDerWaalsContact O-N 3.16Å
177	V	77.9	Confident	76.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.8	178.6	-174.8	0	0	0	0	108.2	I89 V90 L91 L92 V175 F179 F215 F257	I89-V177 HydrophobicContact CG2-CG2 3.84Å; V90-V177 PolarHBondContact O-N 3.29Å; L91-V177 CarbonylContact C-O 3.3Å; L91-V177 WeakPolarHBondContact CA-O 3.33Å; L91-V177 HydrophobicContact CD2-CB 3.78Å; L91-V177 HydrophobicContact CD2-CG1 4.36Å; L91-V177 HydrophobicContact CD2-CG2 3.97Å; L92-V177 PolarHBondContact N-O 3.24Å; V175-V177 HydrophobicContact CG1-CG2 3.99Å; V177-F179 HydrophobicContact CB-CE2 4.29Å; V177-F179 HydrophobicContact CG1-CD2 4.05Å; V177-F179 HydrophobicContact CG1-CE2 3.57Å; V177-F179 HydrophobicContact CG1-CZ 4.12Å; V177-F215 HydrophobicContact CG1-CB 4.46Å; V177-F257 HydrophobicContact CB-CZ 4.21Å; V177-F257 HydrophobicContact CG1-CE1 4.03Å; V177-F257 HydrophobicContact CG1-CE2 4.43Å; V177-F257 HydrophobicContact CG1-CZ 3.6Å; V177-F257 HydrophobicContact CG2-CD1 4.05Å; V177-F257 HydrophobicContact CG2-CD2 4.44Å; V177-F257 HydrophobicContact CG2-CE1 3.62Å; V177-F257 HydrophobicContact CG2-CE2 3.99Å; V177-F257 HydrophobicContact CG2-CG 4.47Å; V177-F257 HydrophobicContact CG2-CZ 3.59Å
178	L	76.8	Confident	76.3	Confident	15 Å²	15	36.8 Å²	36.8	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.4	173.3	179.4	66.8	0	0	0	108.9	L92 V180 K199 I200 I203 F215 L216 L217	L92-L178 HydrophobicContact CB-CD1 3.85Å; L178-V180 HydrophobicContact CD2-CG2 3.96Å; L178-V180 HydrophobicContact CG-CG2 3.83Å; L178-K199 HydrophobicContact CD2-CB 4.37Å; L178-I200 HydrophobicContact CD2-CG1 4.11Å; L178-I203 HydrophobicContact CD1-CD1 4.36Å; L178-I203 HydrophobicContact CD2-CD1 4.16Å; L178-F215 PolarHBondContact N-O 3.37Å; L178-L216 WeakPolarHBondContact O-CA 3.23Å; L178-L217 PolarHBondContact O-N 2.86Å
179	F	75.6	Confident	75.8	Confident	6 Å²	6	39 Å²	39	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.5	168.6	-69.8	-100.9	0	0	0	108.8	L91 L92 L94 I105 L109 V177 L217	L91-F179 HydrophobicContact CB-CD2 4.44Å; L91-F179 HydrophobicContact CB-CE2 4.01Å; L91-F179 HydrophobicContact CD1-CE2 4.28Å; L91-F179 HydrophobicContact CD2-CE2 3.97Å; L91-F179 HydrophobicContact CG-CE2 4.28Å; L92-F179 PolarHBondContact O-N 3.47Å; L94-F179 HydrophobicContact CD1-CD1 4.47Å; L94-F179 HydrophobicContact CD1-CD2 3.79Å; L94-F179 HydrophobicContact CD1-CE1 4.39Å; L94-F179 HydrophobicContact CD1-CE2 3.74Å; L94-F179 HydrophobicContact CD1-CG 4.18Å; L94-F179 HydrophobicContact CD1-CZ 4.05Å; L94-F179 HydrophobicContact CD2-CB 3.77Å; L94-F179 HydrophobicContact CD2-CD1 3.58Å; L94-F179 HydrophobicContact CD2-CD2 4Å; L94-F179 HydrophobicContact CD2-CE1 4.11Å; L94-F179 HydrophobicContact CD2-CG 3.51Å; L94-F179 HydrophobicContact CG-CB 3.94Å; L94-F179 HydrophobicContact CG-CD1 4.12Å; L94-F179 HydrophobicContact CG-CD2 3.57Å; L94-F179 HydrophobicContact CG-CE2 4.06Å; L94-F179 HydrophobicContact CG-CG 3.61Å; I105-F179 HydrophobicContact CD1-CE1 4.41Å; I105-F179 HydrophobicContact CG2-CE1 3.7Å; I105-F179 HydrophobicContact CG2-CZ 4.05Å; L109-F179 HydrophobicContact CD1-CZ 4.46Å; V177-F179 HydrophobicContact CB-CE2 4.29Å; V177-F179 HydrophobicContact CG1-CD2 4.05Å; V177-F179 HydrophobicContact CG1-CE2 3.57Å; V177-F179 HydrophobicContact CG1-CZ 4.12Å; F179-L217 HydrophobicContact CD1-CB 3.83Å; F179-L217 HydrophobicContact CD1-CD2 3.67Å; F179-L217 HydrophobicContact CD1-CG 4.36Å; F179-L217 HydrophobicContact CE1-CB 4.01Å; F179-L217 HydrophobicContact CE1-CD2 3.24Å; F179-L217 HydrophobicContact CE1-CG 4.17Å; F179-L217 HydrophobicContact CG-CB 4.33Å; F179-L217 HydrophobicContact CZ-CD2 4.12Å
180	V	73.3	Confident	75.4	Confident	18 Å²	18	41.9 Å²	41.9	11%	0.109	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.4	173.7	-170.5	0	0	0	0	109.2	L178 L182 C196 L216 L217	L178-V180 HydrophobicContact CD2-CG2 3.96Å; L178-V180 HydrophobicContact CG-CG2 3.83Å; V180-L182 HydrophobicContact CB-CG 4.28Å; V180-L182 HydrophobicContact CG1-CD1 4.19Å; V180-L182 HydrophobicContact CG1-CD2 3.99Å; V180-L182 HydrophobicContact CG1-CG 3.64Å; V180-L182 PolarHBondContact O-N 2.81Å; V180-C196 WeakPolarHBondContact CG1-SG 3.34Å; V180-L216 HydrophobicContact CG2-CD1 3.85Å; V180-L216 HydrophobicContact CG2-CG 4Å; V180-L217 PolarHBondContact N-O 3.4Å; V180-L217 VanDerWaalsContact N-O 3.09Å
181	D	72	Confident	75.2	Confident	60 Å²	60	44.1 Å²	44.1	32%	0.321	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	108.9	168.9	-64.5	-27	0	0	0	109.7	N99 H102 L219	N99-D181 PolarHBondContact ND2-OD2 3.27Å; H102-D181 IonicContact CD2-OD1 2.63Å; H102-D181 IonicContact CE1-OD1 3.77Å; H102-D181 IonicContact CE1-OD2 3.97Å; H102-D181 PolarHBondContact CE1-OD2 2.94Å; H102-D181 IonicContact NE2-OD1 3.89Å; H102-D181 PolarHBondContact NE2-OD1 3.37Å; H102-D181 IonicContact NE2-OD2 3.78Å; H102-D181 PolarHBondContact NE2-OD2 3.12Å; H102-D181 VanDerWaalsContact NE2-OD2 3.1Å; D181-L219 WeakPolarHBondContact OD1-CD1 3.13Å
182	L	67.9	Low	75	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.058	24%	0.239	C	C	.	.			trans	-132.1	98.4	-178.7	-74	178.2	0	0	0	110	V180 W189 K192 L216 K218 L220	V180-L182 HydrophobicContact CB-CG 4.28Å; V180-L182 HydrophobicContact CG1-CD1 4.19Å; V180-L182 HydrophobicContact CG1-CD2 3.99Å; V180-L182 HydrophobicContact CG1-CG 3.64Å; V180-L182 PolarHBondContact O-N 2.81Å; L182-W189 HydrophobicContact CB-CH2 4.33Å; L182-W189 HydrophobicContact CB-CZ3 3.95Å; L182-W189 HydrophobicContact CD1-CH2 4.27Å; L182-W189 HydrophobicContact CD2-CZ3 4.19Å; L182-W189 HydrophobicContact CG-CZ3 4.46Å; L182-K192 HydrophobicContact CD2-CB 3.74Å; L182-K192 HydrophobicContact CD2-CD 4.14Å; L182-L216 HydrophobicContact CD1-CD2 4.29Å; L182-K218 HydrophobicContact CB-CD 4.18Å; L182-K218 VanDerWaalsContact CB-CE 3.42Å; L182-K218 HydrophobicContact CB-CG 3.89Å; L182-K218 HydrophobicContact CD1-CD 4.47Å; L182-K218 HydrophobicContact CD1-CG 4.36Å; L182-K218 WeakPolarHBondContact O-CE 3.41Å; L182-L220 VanDerWaalsContact O-CD2 3.27Å; L182-L220 WeakPolarHBondContact O-CD2 3.35Å
183	D	67.5	Low	74.7	Confident	70 Å²	70	45 Å²	45	37%	0.374	25%	0.246	S	C	.	.			trans	-78.5	133.1	170.1	-56.8	-46.8	0	0	0	110.5	N185 H186	D183-N185 PolarHBondContact O-N 3.39Å; D183-H186 HydrophobicContact CB-CB 4.45Å; D183-H186 WeakPolarHBondContact O-CB 3.3Å; D183-H186 PolarHBondContact O-N 2.95Å
184	W	60.3	Low	74.5	Confident	56 Å²	56	49.4 Å²	49.4	21%	0.212	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.7	175	-71.2	111.9	0	0	0	112.5	H186 W189 K218 L220	W184-H186 PolarHBondContact O-N 3.42Å; W184-W189 HydrophobicContact CE3-CH2 4.43Å; W184-W189 HydrophobicContact CE3-CZ2 4.42Å; W184-W189 HydrophobicContact CZ3-CZ2 4.28Å; W184-K218 VanDerWaalsContact CZ2-NZ 3.29Å; W184-L220 HydrophobicContact CG-CD2 3.93Å; W184-L220 HydrophobicContact CZ2-CD1 4.32Å
185	N	64.5	Low	74.2	Confident	137 Å²	137	53.6 Å²	53.6	73%	0.733	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	13.1	-176.5	-59.7	-16.7	0	0	0	112.6	D183	D183-N185 PolarHBondContact O-N 3.39Å
186	H	69	Low	73.8	Confident	52 Å²	52	54 Å²	54	24%	0.241	30%	0.295	C	S	.	.			trans	-72.4	128.3	-178.6	-160.6	-88.5	0	0	0	111.1	D183 W184 S188 W189 K192	D183-H186 HydrophobicContact CB-CB 4.45Å; D183-H186 WeakPolarHBondContact O-CB 3.3Å; D183-H186 PolarHBondContact O-N 2.95Å; W184-H186 PolarHBondContact O-N 3.42Å; H186-S188 PolarHBondContact CE1-OG 3.08Å; H186-S188 PolarHBondContact ND1-N 3.19Å; H186-S188 PolarHBondContact ND1-OG 3.12Å; H186-S188 PolarHBondContact O-N 2.94Å; H186-W189 PolarHBondContact O-N 3.3Å; H186-W189 VanDerWaalsContact O-N 3.13Å; H186-K192 HydrophobicContact CB-CD 4.44Å; H186-K192 PolarHBondContact CD2-NZ 3.46Å; H186-K192 VanDerWaalsContact CE1-CE 3.42Å; H186-K192 WeakPolarHBondContact CE1-CE 3.41Å; H186-K192 VanDerWaalsContact NE2-CE 3.3Å; H186-K192 WeakPolarHBondContact NE2-CE 3.3Å; H186-K192 PolarHBondContact NE2-NZ 2.98Å; H186-K192 VanDerWaalsContact NE2-NZ 3.14Å
187	P	76.5	Confident	73.5	Confident	132 Å²	132	55.9 Å²	55.9	86%	0.857	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	-176.7	21.7	-32.8	0	0	0	113
188	S	78.3	Confident	73.4	Confident	36 Å²	36	58.9 Å²	58.9	25%	0.252	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	43	175.7	65.4	0	0	0	0	114.1	H186 A190 E191 K192	H186-S188 PolarHBondContact CE1-OG 3.08Å; H186-S188 PolarHBondContact ND1-N 3.19Å; H186-S188 PolarHBondContact ND1-OG 3.12Å; H186-S188 PolarHBondContact O-N 2.94Å; S188-A190 VanDerWaalsContact C-N 3.29Å; S188-A190 PolarHBondContact O-N 2.8Å; S188-E191 WeakPolarHBondContact CB-OE2 3.5Å; S188-E191 PolarHBondContact O-N 3.43Å; S188-E191 VanDerWaalsContact O-N 3.14Å; S188-K192 PolarHBondContact O-N 3.46Å; S188-K192 VanDerWaalsContact O-N 3.08Å
189	W	75.3	Confident	73.3	Confident	54 Å²	54	62.2 Å²	62.2	21%	0.205	35%	0.346	C	S	.	.	H	α-helix	trans	-50.3	-45.6	-180	175.2	-107.6	0	0	0	113.5	L182 W184 H186 E191 K192 V193 L228	L182-W189 HydrophobicContact CB-CH2 4.33Å; L182-W189 HydrophobicContact CB-CZ3 3.95Å; L182-W189 HydrophobicContact CD1-CH2 4.27Å; L182-W189 HydrophobicContact CD2-CZ3 4.19Å; L182-W189 HydrophobicContact CG-CZ3 4.46Å; W184-W189 HydrophobicContact CE3-CH2 4.43Å; W184-W189 HydrophobicContact CE3-CZ2 4.42Å; W184-W189 HydrophobicContact CZ3-CZ2 4.28Å; H186-W189 PolarHBondContact O-N 3.3Å; H186-W189 VanDerWaalsContact O-N 3.13Å; W189-E191 VanDerWaalsContact C-N 3.34Å; W189-E191 PolarHBondContact O-N 3.46Å; W189-K192 PolarHBondContact O-N 3.02Å; W189-V193 HydrophobicContact CD2-CG2 4.03Å; W189-V193 VanDerWaalsContact CE2-CG2 3.46Å; W189-V193 HydrophobicContact CG-CG2 4.5Å; W189-V193 HydrophobicContact CH2-CG2 4.14Å; W189-V193 HydrophobicContact CZ2-CG2 3.51Å; W189-V193 WeakPolarHBondContact O-CG2 3.36Å; W189-V193 PolarHBondContact O-N 3.49Å; W189-L228 HydrophobicContact CZ2-CD1 3.68Å; W189-L228 HydrophobicContact CZ2-CD2 4.19Å; W189-L228 HydrophobicContact CZ2-CG 4.5Å
190	A	76.1	Confident	73.1	Confident	72 Å²	72	62.8 Å²	62.8	60%	0.595	35%	0.349	S	S	*	.	H	α-helix	trans	-61	-40.6	-179.3	0	0	0	0	0	112.5	S188 V193 T194	S188-A190 VanDerWaalsContact C-N 3.29Å; S188-A190 PolarHBondContact O-N 2.8Å; A190-V193 PolarHBondContact O-N 3.19Å; A190-T194 WeakPolarHBondContact O-CG2 3.44Å; A190-T194 PolarHBondContact O-N 3.24Å; A190-T194 PolarHBondContact O-OG1 2.98Å
191	E	80.4	Confident	73.2	Confident	132 Å²	132	69.4 Å²	69.4	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-68.9	-42.8	178	-63.1	179.3	171	0	0	111.8	S188 W189 V193 T194 E195	S188-E191 WeakPolarHBondContact CB-OE2 3.5Å; S188-E191 PolarHBondContact O-N 3.43Å; S188-E191 VanDerWaalsContact O-N 3.14Å; W189-E191 VanDerWaalsContact C-N 3.34Å; W189-E191 PolarHBondContact O-N 3.46Å; E191-V193 VanDerWaalsContact C-N 3.28Å; E191-V193 PolarHBondContact O-N 3.28Å; E191-T194 WeakPolarHBondContact CA-OG1 3.37Å; E191-T194 PolarHBondContact O-N 3.08Å; E191-T194 PolarHBondContact O-OG1 3.22Å; E191-E195 WeakPolarHBondContact O-CB 3.44Å; E191-E195 PolarHBondContact O-N 3.36Å
192	K	74.2	Confident	73.2	Confident	46 Å²	46	69.5 Å²	69.5	20%	0.2	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-39.1	175.4	-77.2	-166	169.2	-176.6	0	111.6	L182 H186 S188 W189 E195 C196	L182-K192 HydrophobicContact CD2-CB 3.74Å; L182-K192 HydrophobicContact CD2-CD 4.14Å; H186-K192 HydrophobicContact CB-CD 4.44Å; H186-K192 PolarHBondContact CD2-NZ 3.46Å; H186-K192 VanDerWaalsContact CE1-CE 3.42Å; H186-K192 WeakPolarHBondContact CE1-CE 3.41Å; H186-K192 VanDerWaalsContact NE2-CE 3.3Å; H186-K192 WeakPolarHBondContact NE2-CE 3.3Å; H186-K192 PolarHBondContact NE2-NZ 2.98Å; H186-K192 VanDerWaalsContact NE2-NZ 3.14Å; S188-K192 PolarHBondContact O-N 3.46Å; S188-K192 VanDerWaalsContact O-N 3.08Å; W189-K192 PolarHBondContact O-N 3.02Å; K192-E195 PolarHBondContact O-N 2.89Å; K192-C196 WeakPolarHBondContact O-CB 3.44Å; K192-C196 PolarHBondContact O-N 3.4Å; K192-C196 PolarHBondContact O-SG 3.33Å
193	V	74.8	Confident	73.3	Confident	43 Å²	43	69.6 Å²	69.6	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.9	171.9	0	0	0	0	111.5	W189 A190 E191 C196 A197 L228	W189-V193 HydrophobicContact CD2-CG2 4.03Å; W189-V193 VanDerWaalsContact CE2-CG2 3.46Å; W189-V193 HydrophobicContact CG-CG2 4.5Å; W189-V193 HydrophobicContact CH2-CG2 4.14Å; W189-V193 HydrophobicContact CZ2-CG2 3.51Å; W189-V193 WeakPolarHBondContact O-CG2 3.36Å; W189-V193 PolarHBondContact O-N 3.49Å; A190-V193 PolarHBondContact O-N 3.19Å; E191-V193 VanDerWaalsContact C-N 3.28Å; E191-V193 PolarHBondContact O-N 3.28Å; V193-C196 PolarHBondContact O-N 2.83Å; V193-A197 WeakPolarHBondContact O-CB 3.28Å; V193-A197 PolarHBondContact O-N 2.81Å; V193-L228 HydrophobicContact CG1-CD2 4.14Å; V193-L228 HydrophobicContact CG2-CD2 4.15Å
194	T	77.4	Confident	73.5	Confident	92 Å²	92	72.1 Å²	72.1	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-68.2	-37.6	177.3	55.7	0	0	0	0	112.1	A190 E191 A197 S198	A190-T194 WeakPolarHBondContact O-CG2 3.44Å; A190-T194 PolarHBondContact O-N 3.24Å; A190-T194 PolarHBondContact O-OG1 2.98Å; E191-T194 WeakPolarHBondContact CA-OG1 3.37Å; E191-T194 PolarHBondContact O-N 3.08Å; E191-T194 PolarHBondContact O-OG1 3.22Å; T194-A197 PolarHBondContact O-N 3.43Å; T194-S198 WeakPolarHBondContact O-CB 3.38Å; T194-S198 PolarHBondContact O-N 2.8Å; T194-S198 PolarHBondContact O-OG 3.44Å
195	E	78.4	Confident	73.8	Confident	89 Å²	89	77.7 Å²	77.7	42%	0.416	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-42.2	172.5	-167	-163.9	164.6	0	0	111.5	E191 K192 S198 K199	E191-E195 WeakPolarHBondContact O-CB 3.44Å; E191-E195 PolarHBondContact O-N 3.36Å; K192-E195 PolarHBondContact O-N 2.89Å; E195-S198 PolarHBondContact O-N 3.5Å; E195-S198 PolarHBondContact O-OG 2.72Å; E195-K199 WeakPolarHBondContact O-CB 3.3Å; E195-K199 WeakPolarHBondContact O-CG 3.39Å; E195-K199 PolarHBondContact O-N 3.34Å; E195-K199 WeakPolarHBondContact OE1-CE 3.4Å; E195-K199 IonicContact OE1-NZ 2.98Å; E195-K199 PolarHBondContact OE1-NZ 2.7Å
196	C	72.8	Confident	73.6	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.054	38%	0.384	C	S	.	.	H	α-helix	trans	-63.2	-46.7	174.3	-69.8	0	0	0	0	111.7	V180 K192 V193 S198 K199 I200 L216	V180-C196 WeakPolarHBondContact CG1-SG 3.34Å; K192-C196 WeakPolarHBondContact O-CB 3.44Å; K192-C196 PolarHBondContact O-N 3.4Å; K192-C196 PolarHBondContact O-SG 3.33Å; V193-C196 PolarHBondContact O-N 2.83Å; C196-S198 VanDerWaalsContact C-N 3.29Å; C196-S198 PolarHBondContact O-N 3.17Å; C196-K199 PolarHBondContact O-N 3.03Å; C196-I200 VanDerWaalsContact O-CG1 3.28Å; C196-I200 WeakPolarHBondContact O-CG1 3.42Å; C196-I200 PolarHBondContact O-N 3.42Å; C196-L216 HydrophobicContact CB-CD1 4.26Å
197	A	73.8	Confident	73.2	Confident	44 Å²	44	70.8 Å²	70.8	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-38.6	178.1	0	0	0	0	0	111.6	V193 T194 K201	V193-A197 WeakPolarHBondContact O-CB 3.28Å; V193-A197 PolarHBondContact O-N 2.81Å; T194-A197 PolarHBondContact O-N 3.43Å; A197-K201 WeakPolarHBondContact O-CB 3.48Å; A197-K201 VanDerWaalsContact O-CG 3.26Å; A197-K201 WeakPolarHBondContact O-CG 3.4Å; A197-K201 PolarHBondContact O-N 3.36Å
198	S	77.4	Confident	71.9	Confident	64 Å²	64	73 Å²	73	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-70	-40.7	177	75.6	0	0	0	0	112.1	T194 E195 C196 K201 S202	T194-S198 WeakPolarHBondContact O-CB 3.38Å; T194-S198 PolarHBondContact O-N 2.8Å; T194-S198 PolarHBondContact O-OG 3.44Å; E195-S198 PolarHBondContact O-N 3.5Å; E195-S198 PolarHBondContact O-OG 2.72Å; C196-S198 VanDerWaalsContact C-N 3.29Å; C196-S198 PolarHBondContact O-N 3.17Å; S198-K201 PolarHBondContact O-N 3.45Å; S198-S202 WeakPolarHBondContact O-CB 3.49Å; S198-S202 PolarHBondContact O-N 3.24Å; S198-S202 PolarHBondContact O-OG 3.45Å
199	K	73.9	Confident	70.5	Confident	85 Å²	85	80.8 Å²	80.8	37%	0.37	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-45.4	171.6	-75.8	176.1	-175.9	168.6	0	111.9	L178 E195 C196 S202 I203	L178-K199 HydrophobicContact CD2-CB 4.37Å; E195-K199 WeakPolarHBondContact O-CB 3.3Å; E195-K199 WeakPolarHBondContact O-CG 3.39Å; E195-K199 PolarHBondContact O-N 3.34Å; E195-K199 WeakPolarHBondContact OE1-CE 3.4Å; E195-K199 IonicContact OE1-NZ 2.98Å; E195-K199 PolarHBondContact OE1-NZ 2.7Å; C196-K199 PolarHBondContact O-N 3.03Å; K199-S202 PolarHBondContact O-N 3.17Å; K199-S202 PolarHBondContact O-OG 2.91Å; K199-I203 WeakPolarHBondContact O-CB 3.48Å; K199-I203 WeakPolarHBondContact O-CD1 3.5Å; K199-I203 WeakPolarHBondContact O-CG1 3.48Å; K199-I203 PolarHBondContact O-N 2.72Å
200	I	72	Confident	69.3	Low	17 Å²	17	81 Å²	81	9%	0.087	40%	0.403	C	S	.	.	H	α-helix	trans	-64.9	-43.8	177.2	-65	168.3	0	0	0	110.8	L178 C196 S202 I203 R204 L216 M232	L178-I200 HydrophobicContact CD2-CG1 4.11Å; C196-I200 VanDerWaalsContact O-CG1 3.28Å; C196-I200 WeakPolarHBondContact O-CG1 3.42Å; C196-I200 PolarHBondContact O-N 3.42Å; I200-S202 VanDerWaalsContact C-N 3.35Å; I200-S202 PolarHBondContact O-N 2.96Å; I200-I203 PolarHBondContact O-N 3.36Å; I200-R204 HydrophobicContact CG2-CG 4.29Å; I200-R204 WeakPolarHBondContact O-CB 3.4Å; I200-R204 WeakPolarHBondContact O-CG 3.47Å; I200-R204 PolarHBondContact O-N 3.36Å; I200-L216 HydrophobicContact CD1-CD1 3.65Å; I200-L216 HydrophobicContact CG1-CD1 4.43Å; I200-M232 HydrophobicContact CD1-CE 3.98Å
201	K	74	Confident	68.2	Low	157 Å²	157	78.4 Å²	78.4	68%	0.683	38%	0.379	S	S	*	.	H	α-helix	trans	-60.2	-43.8	176.4	-78.4	177.4	-179.1	-178.1	0	111.5	A197 S198 R204 Y205	A197-K201 WeakPolarHBondContact O-CB 3.48Å; A197-K201 VanDerWaalsContact O-CG 3.26Å; A197-K201 WeakPolarHBondContact O-CG 3.4Å; A197-K201 PolarHBondContact O-N 3.36Å; S198-K201 PolarHBondContact O-N 3.45Å; K201-R204 PolarHBondContact O-N 2.87Å; K201-Y205 VanDerWaalsContact O-CB 3.29Å; K201-Y205 WeakPolarHBondContact O-CB 3.45Å; K201-Y205 PolarHBondContact O-N 2.92Å
202	S	73.3	Confident	66.6	Low	63 Å²	63	82.2 Å²	82.2	44%	0.441	39%	0.393	S	S	.	.	H	α-helix	trans	-66	-41.6	178.8	69.9	0	0	0	0	112	S198 K199 I200 Y205 V206	S198-S202 WeakPolarHBondContact O-CB 3.49Å; S198-S202 PolarHBondContact O-N 3.24Å; S198-S202 PolarHBondContact O-OG 3.45Å; K199-S202 PolarHBondContact O-N 3.17Å; K199-S202 PolarHBondContact O-OG 2.91Å; I200-S202 VanDerWaalsContact C-N 3.35Å; I200-S202 PolarHBondContact O-N 2.96Å; S202-Y205 PolarHBondContact O-N 3.46Å; S202-V206 VanDerWaalsContact O-CG2 3.23Å; S202-V206 WeakPolarHBondContact O-CG2 3.34Å; S202-V206 PolarHBondContact O-N 2.83Å; S202-V206 VanDerWaalsContact O-N 3.09Å
203	I	70.5	Confident	65.5	Low	13 Å²	13	81.2 Å²	81.2	7%	0.067	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-45.5	174.4	-67.9	165	0	0	0	111.1	L92 V131 L176 L178 K199 I200 V206 N207	L92-I203 HydrophobicContact CD1-CD1 3.99Å; V131-I203 HydrophobicContact CG2-CG1 4.46Å; L176-I203 HydrophobicContact CD1-CG2 4.27Å; L178-I203 HydrophobicContact CD1-CD1 4.36Å; L178-I203 HydrophobicContact CD2-CD1 4.16Å; K199-I203 WeakPolarHBondContact O-CB 3.48Å; K199-I203 WeakPolarHBondContact O-CD1 3.5Å; K199-I203 WeakPolarHBondContact O-CG1 3.48Å; K199-I203 PolarHBondContact O-N 2.72Å; I200-I203 PolarHBondContact O-N 3.36Å; I203-V206 PolarHBondContact O-N 3.36Å; I203-N207 WeakPolarHBondContact O-CB 3.39Å; I203-N207 PolarHBondContact O-N 3.13Å; I203-N207 VanDerWaalsContact O-N 3.12Å; I203-N207 PolarHBondContact O-ND2 2.94Å
204	R	70	Confident	64.1	Low	122 Å²	122	79.9 Å²	79.9	46%	0.46	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-40.7	177.5	-75.7	-178.1	-178.8	-178.7	1.7	112.3	I200 K201 V206 N207 F208	I200-R204 HydrophobicContact CG2-CG 4.29Å; I200-R204 WeakPolarHBondContact O-CB 3.4Å; I200-R204 WeakPolarHBondContact O-CG 3.47Å; I200-R204 PolarHBondContact O-N 3.36Å; K201-R204 PolarHBondContact O-N 2.87Å; R204-V206 VanDerWaalsContact C-N 3.32Å; R204-V206 PolarHBondContact O-N 3.47Å; R204-N207 CarbonylContact O-C 3.54Å; R204-N207 PolarHBondContact O-N 3.28Å; R204-F208 PolarHBondContact O-N 3.49Å; R204-F208 VanDerWaalsContact O-N 3.15Å
205	Y	66.4	Low	62.8	Low	174 Å²	174	75.9 Å²	75.9	68%	0.682	36%	0.358	S	S	*	.	H	α-helix	trans	-62.3	-39.2	177.5	-177.7	-104.7	0	0	0	112	K201 S202 N207	K201-Y205 VanDerWaalsContact O-CB 3.29Å; K201-Y205 WeakPolarHBondContact O-CB 3.45Å; K201-Y205 PolarHBondContact O-N 2.92Å; S202-Y205 PolarHBondContact O-N 3.46Å; Y205-N207 VanDerWaalsContact C-N 3.35Å
206	V	61.4	Low	61.1	Low	32 Å²	32	72.5 Å²	72.5	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-33.6	175.9	175.8	0	0	0	0	112.2	V131 K135 S202 I203 R204	V131-V206 HydrophobicContact CG1-CB 3.68Å; V131-V206 HydrophobicContact CG1-CG1 3.68Å; V131-V206 HydrophobicContact CG1-CG2 3.31Å; K135-V206 HydrophobicContact CD-CG1 4.26Å; K135-V206 HydrophobicContact CD-CG2 4.18Å; K135-V206 HydrophobicContact CG-CG1 3.75Å; S202-V206 VanDerWaalsContact O-CG2 3.23Å; S202-V206 WeakPolarHBondContact O-CG2 3.34Å; S202-V206 PolarHBondContact O-N 2.83Å; S202-V206 VanDerWaalsContact O-N 3.09Å; I203-V206 PolarHBondContact O-N 3.36Å; R204-V206 VanDerWaalsContact C-N 3.32Å; R204-V206 PolarHBondContact O-N 3.47Å
207	N	60.3	Low	59.9	Low	11 Å²	11	72.2 Å²	72.2	6%	0.059	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	19	-173	-65.7	-42.3	0	0	0	114.7	L176 I203 R204 Y205 R209 T210 N211	L176-N207 WeakPolarHBondContact CD1-ND2 3.41Å; I203-N207 WeakPolarHBondContact O-CB 3.39Å; I203-N207 PolarHBondContact O-N 3.13Å; I203-N207 VanDerWaalsContact O-N 3.12Å; I203-N207 PolarHBondContact O-ND2 2.94Å; R204-N207 CarbonylContact O-C 3.54Å; R204-N207 PolarHBondContact O-N 3.28Å; Y205-N207 VanDerWaalsContact C-N 3.35Å; N207-R209 PolarHBondContact O-N 3.08Å; N207-T210 PolarHBondContact O-N 3.39Å; N207-N211 HydrophobicContact CB-CB 3.82Å; N207-N211 PolarHBondContact ND2-ND2 3.21Å; N207-N211 PolarHBondContact O-N 3.31Å; N207-N211 PolarHBondContact OD1-ND2 3.05Å
208	F	48.6	Very low	58.6	Low	179 Å²	179	71.1 Å²	71.1	79%	0.785	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.4	-169.5	-152.6	-91	0	0	0	114.5	R204	R204-F208 PolarHBondContact O-N 3.49Å; R204-F208 VanDerWaalsContact O-N 3.15Å
209	R	49.9	Very low	56.8	Low	199 Å²	199	68.8 Å²	68.8	75%	0.751	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-18.5	178.3	-73.1	-168.9	177.9	-171.2	-1.3	115.8	E149 N207	E149-R209 IonicContact OE1-CZ 3.81Å; E149-R209 IonicContact OE1-NH1 2.84Å; E149-R209 PolarHBondContact OE1-NH1 3.28Å; E149-R209 IonicContact OE1-NH2 3.8Å; N207-R209 PolarHBondContact O-N 3.08Å
210	T	49.8	Very low	55.2	Low	60 Å²	60	65.2 Å²	65.2	37%	0.368	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-27.2	-170.4	53.4	0	0	0	0	116.6	N207 Y264	N207-T210 PolarHBondContact O-N 3.39Å; T210-Y264 WeakPolarHBondContact O-CE2 3.32Å
211	N	52.2	Low	53.5	Low	17 Å²	17	67.9 Å²	67.9	9%	0.091	31%	0.313	C	S	.	.			trans	-122.4	99.3	-167.6	-51.9	-20.5	0	0	0	111.2	P173 L176 N207 V213	P173-N211 PolarHBondContact O-OD1 3.14Å; L176-N211 HydrophobicContact CD1-CB 4.3Å; L176-N211 WeakPolarHBondContact CD1-ND2 3.49Å; N207-N211 HydrophobicContact CB-CB 3.82Å; N207-N211 PolarHBondContact ND2-ND2 3.21Å; N207-N211 PolarHBondContact O-N 3.31Å; N207-N211 PolarHBondContact OD1-ND2 3.05Å; N211-V213 PolarHBondContact O-N 3.18Å
212	K	48.2	Very low	51.4	Low	211 Å²	211	66.6 Å²	66.6	92%	0.917	31%	0.311	S	S	*	.			trans	-73.6	4.9	169.6	-82	-170.4	177.4	-179.1	0	113.6
213	V	49.3	Very low	49.7	Very low	25 Å²	25	68.1 Å²	68.1	15%	0.152	32%	0.317	C	S	.	.			trans	-134.2	103.8	-164.5	-172.5	0	0	0	0	111.6	V175 L176 N211 F215 L260	V175-V213 HydrophobicContact CG1-CG1 3.92Å; L176-V213 PolarHBondContact N-O 2.91Å; N211-V213 PolarHBondContact O-N 3.18Å; V213-F215 HydrophobicContact CG1-CD2 3.27Å; V213-F215 HydrophobicContact CG1-CE2 3.18Å; V213-L260 HydrophobicContact CG1-CB 4.45Å; V213-L260 HydrophobicContact CG1-CD1 4.22Å; V213-L260 HydrophobicContact CG1-CD2 4.24Å
214	S	45.5	Very low	48.1	Very low	15 Å²	15	76 Å²	76	11%	0.105	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	110.4	166.3	-51.3	0	0	0	0	107.1
215	F	50.7	Low	46.4	Very low	8 Å²	8	77.2 Å²	77.2	4%	0.035	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.3	174.4	-87	-101.3	0	0	0	110.2	V175 L176 V177 L178 V213 S235 F237 L260	V175-F215 HydrophobicContact CG1-CD2 4.5Å; L176-F215 PolarHBondContact O-N 2.82Å; L176-F215 VanDerWaalsContact O-N 3.16Å; V177-F215 HydrophobicContact CG1-CB 4.46Å; L178-F215 PolarHBondContact N-O 3.37Å; V213-F215 HydrophobicContact CG1-CD2 3.27Å; V213-F215 HydrophobicContact CG1-CE2 3.18Å; F215-S235 WeakPolarHBondContact CD1-O 3.48Å; F215-F237 HydrophobicContact CD1-CD2 4.02Å; F215-F237 HydrophobicContact CD1-CE2 4.08Å; F215-F237 HydrophobicContact CE1-CD2 4.05Å; F215-F237 AromaticContact CE1-CE2 3.65Å; F215-F237 HydrophobicContact CE1-CE2 3.65Å; F215-L260 HydrophobicContact CD2-CD1 3.61Å; F215-L260 HydrophobicContact CE1-CD1 3.95Å; F215-L260 HydrophobicContact CE2-CD1 2.97Å; F215-L260 HydrophobicContact CE2-CD2 3.57Å; F215-L260 HydrophobicContact CE2-CG 3.82Å; F215-L260 HydrophobicContact CG-CD1 4.37Å; F215-L260 HydrophobicContact CZ-CD1 3.21Å; F215-L260 HydrophobicContact CZ-CD2 3.67Å; F215-L260 HydrophobicContact CZ-CG 3.97Å
216	L	42.8	Very low	45.2	Very low	19 Å²	19	72.2 Å²	72.2	10%	0.099	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	171.2	-166	135.3	0	0	0	107.5	L178 V180 L182 C196 I200 L236	L178-L216 WeakPolarHBondContact O-CA 3.23Å; V180-L216 HydrophobicContact CG2-CD1 3.85Å; V180-L216 HydrophobicContact CG2-CG 4Å; L182-L216 HydrophobicContact CD1-CD2 4.29Å; C196-L216 HydrophobicContact CB-CD1 4.26Å; I200-L216 HydrophobicContact CD1-CD1 3.65Å; I200-L216 HydrophobicContact CG1-CD1 4.43Å; L216-L236 HydrophobicContact CB-CD2 4.05Å; L216-L236 HydrophobicContact CD2-CD2 3.89Å
217	L	48.8	Very low	44.2	Very low	2 Å²	2	80.5 Å²	80.5	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.1	173.9	-150.3	94	0	0	0	109.6	L178 F179 V180 F237 L239 L253	L178-L217 PolarHBondContact O-N 2.86Å; F179-L217 HydrophobicContact CD1-CB 3.83Å; F179-L217 HydrophobicContact CD1-CD2 3.67Å; F179-L217 HydrophobicContact CD1-CG 4.36Å; F179-L217 HydrophobicContact CE1-CB 4.01Å; F179-L217 HydrophobicContact CE1-CD2 3.24Å; F179-L217 HydrophobicContact CE1-CG 4.17Å; F179-L217 HydrophobicContact CG-CB 4.33Å; F179-L217 HydrophobicContact CZ-CD2 4.12Å; V180-L217 PolarHBondContact N-O 3.4Å; V180-L217 VanDerWaalsContact N-O 3.09Å; L217-F237 HydrophobicContact CD1-CB 3.54Å; L217-L239 HydrophobicContact CD2-CB 4.11Å; L217-L239 HydrophobicContact CD2-CD1 3.44Å; L217-L239 VanDerWaalsContact CD2-CD1 3.44Å; L217-L239 HydrophobicContact CD2-CG 4.32Å; L217-L253 HydrophobicContact CD1-CD1 3.43Å; L217-L253 VanDerWaalsContact CD1-CD1 3.43Å; L217-L253 HydrophobicContact CD1-CG 4.5Å; L217-L253 HydrophobicContact CD2-CD1 3.8Å; L217-L253 HydrophobicContact CG-CD1 4.26Å
218	K	44.5	Very low	43.3	Very low	20 Å²	20	83.7 Å²	83.7	9%	0.087	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.4	-179.9	-151.8	-179	169.3	-172.5	0	108.7	L182 W184 L220 F237 L239	L182-K218 HydrophobicContact CB-CD 4.18Å; L182-K218 VanDerWaalsContact CB-CE 3.42Å; L182-K218 HydrophobicContact CB-CG 3.89Å; L182-K218 HydrophobicContact CD1-CD 4.47Å; L182-K218 HydrophobicContact CD1-CG 4.36Å; L182-K218 WeakPolarHBondContact O-CE 3.41Å; W184-K218 VanDerWaalsContact CZ2-NZ 3.29Å; K218-L220 HydrophobicContact CD-CD1 3.49Å; K218-L220 VanDerWaalsContact CD-CD1 3.49Å; K218-L220 HydrophobicContact CD-CD2 4.32Å; K218-L220 HydrophobicContact CD-CG 3.73Å; K218-L220 HydrophobicContact CG-CD1 4.08Å; K218-L220 HydrophobicContact CG-CG 3.88Å; K218-F237 PolarHBondContact N-O 3.27Å; K218-L239 PolarHBondContact O-N 3.02Å; K218-L239 VanDerWaalsContact O-N 3.12Å
219	L	41	Very low	42.8	Very low	15 Å²	15	78.5 Å²	78.5	8%	0.079	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.7	161.2	-111.7	149	0	0	0	106.1	A101 I105 D181 D241	A101-L219 HydrophobicContact CB-CD2 4.5Å; I105-L219 HydrophobicContact CD1-CD1 3.39Å; I105-L219 HydrophobicContact CD1-CD2 4.46Å; I105-L219 HydrophobicContact CD1-CG 3.97Å; D181-L219 WeakPolarHBondContact OD1-CD1 3.13Å; L219-D241 HydrophobicContact CD2-CB 4.02Å
220	L	40.7	Very low	42.4	Very low	10 Å²	10	80.3 Å²	80.3	5%	0.052	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.1	-179	-94.2	172.8	0	0	0	111.8	L182 W184 K218 L239	L182-L220 VanDerWaalsContact O-CD2 3.27Å; L182-L220 WeakPolarHBondContact O-CD2 3.35Å; W184-L220 HydrophobicContact CG-CD2 3.93Å; W184-L220 HydrophobicContact CZ2-CD1 4.32Å; K218-L220 HydrophobicContact CD-CD1 3.49Å; K218-L220 VanDerWaalsContact CD-CD1 3.49Å; K218-L220 HydrophobicContact CD-CD2 4.32Å; K218-L220 HydrophobicContact CD-CG 3.73Å; K218-L220 HydrophobicContact CG-CD1 4.08Å; K218-L220 HydrophobicContact CG-CG 3.88Å; L220-L239 PolarHBondContact N-O 2.94Å
221	T	34.7	Very low	42.1	Very low	73 Å²	73	83 Å²	83	45%	0.448	41%	0.413	S	S	.	.			trans	-82	149.7	151.7	50.8	0	0	0	0	109	D241	T221-D241 HydrophobicContact CG2-CB 4.43Å
222	M	30.4	Very low	41.7	Very low	131 Å²	131	84.7 Å²	84.7	65%	0.645	42%	0.421	S	S	*	.	S	Bend	trans	-27.1	135.5	-174	-58.8	-97.6	79.4	0	0	116.1	W240	M222-W240 HydrophobicContact CE-CE3 3.99Å; M222-W240 HydrophobicContact CE-CH2 4.28Å; M222-W240 HydrophobicContact CE-CZ3 3.38Å
223	V	38.3	Very low	41.4	Very low	95 Å²	95	84.3 Å²	84.3	58%	0.576	41%	0.414	S	S	*	.			trans	157.1	149.8	139.9	164.6	0	0	0	0	113.2
224	Q	37.3	Very low	41.2	Very low	177 Å²	177	90.2 Å²	90.2	83%	0.827	45%	0.445	S	S	*	.			trans	-60.4	159.7	-169.1	-89.5	167	-47	0	0	117.6
225	M	32.9	Very low	41.6	Very low	148 Å²	148	91.2 Å²	91.2	73%	0.729	45%	0.452	S	S	*	.			trans	-69.1	139.6	-176.2	-57.9	-162	-53.5	0	0	114.4
226	S	41.5	Very low	41.5	Very low	69 Å²	69	93.9 Å²	93.9	48%	0.483	47%	0.466	S	S	.	.				180	-174.4	107.1	38.9	0	0	0	0	108.2	L228	S226-L228 PolarHBondContact O-N 3.24Å
227	Y	42	Very low	41.9	Very low	206 Å²	206	96.3 Å²	96.3	81%	0.808	48%	0.476	S	S	*	.	S	Bend	trans	76.4	-9.2	171	31.5	-84.8	0	0	0	123.7
228	L	40.3	Very low	42	Very low	78 Å²	78	102.2 Å²	102.2	41%	0.408	50%	0.498	S	S	.	.	S	Bend	trans	-115.7	8.3	177.3	-106.2	117.2	0	0	0	119.4	W189 V193 S226	W189-L228 HydrophobicContact CZ2-CD1 3.68Å; W189-L228 HydrophobicContact CZ2-CD2 4.19Å; W189-L228 HydrophobicContact CZ2-CG 4.5Å; V193-L228 HydrophobicContact CG1-CD2 4.14Å; V193-L228 HydrophobicContact CG2-CD2 4.15Å; S226-L228 PolarHBondContact O-N 3.24Å
229	C	38	Very low	42.3	Very low	70 Å²	70	101.5 Å²	101.5	47%	0.473	50%	0.495	S	S	.	.			trans	-124.3	63	-168.7	-95	0	0	0	0	116.2	L236	C229-L236 WeakPolarHBondContact SG-CD1 3.17Å
230	R	41.5	Very low	42.5	Very low	237 Å²	237	106.4 Å²	106.4	89%	0.894	51%	0.513	S	S	*	.	S	Bend	trans	-95.3	-43.5	161.6	-93.3	-179.7	177	173.7	-0.7	114.1
231	P	44.2	Very low	42.7	Very low	117 Å²	117	110 Å²	110	76%	0.76	53%	0.532	S	S	*	.	S	Bend	trans	-87	-9	-172.8	-10.5	27.3	0	0	0	116.5
232	M	43.6	Very low	43.1	Very low	52 Å²	52	108 Å²	108	26%	0.256	53%	0.525	S	S	.	.			trans	-134.8	25.5	-164.4	-63.6	-92.6	-165.6	0	0	114.2	I200 N234 S235 L236	I200-M232 HydrophobicContact CD1-CE 3.98Å; M232-N234 VanDerWaalsContact C-N 3.25Å; M232-N234 PolarHBondContact O-N 3.49Å; M232-N234 VanDerWaalsContact O-N 3.1Å; M232-S235 PolarHBondContact O-N 3.3Å; M232-S235 VanDerWaalsContact O-N 3.1Å; M232-L236 HydrophobicContact CB-CD1 3.61Å; M232-L236 HydrophobicContact CB-CG 4.08Å; M232-L236 WeakPolarHBondContact O-CD1 3.34Å
233	R	41.9	Very low	43.7	Very low	204 Å²	204	109.7 Å²	109.7	77%	0.77	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-35.2	-173.8	-87.5	-173.8	178.3	-175.1	-2.6	115
234	N	45.8	Very low	43.9	Very low	149 Å²	149	113.1 Å²	113.1	80%	0.797	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	1.6	-174.9	-64	0.4	0	0	0	113.6	M232	M232-N234 VanDerWaalsContact C-N 3.25Å; M232-N234 PolarHBondContact O-N 3.49Å; M232-N234 VanDerWaalsContact O-N 3.1Å
235	S	52.7	Low	44.6	Very low	36 Å²	36	106.9 Å²	106.9	25%	0.252	51%	0.513	S	S	.	.	S	Bend	trans	-122.7	9.4	-169.6	-57	0	0	0	0	115.8	F215 M232	F215-S235 WeakPolarHBondContact CD1-O 3.48Å; M232-S235 PolarHBondContact O-N 3.3Å; M232-S235 VanDerWaalsContact O-N 3.1Å
236	L	48.9	Very low	45.7	Very low	63 Å²	63	104.5 Å²	104.5	33%	0.33	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.2	-176.6	-74.4	160.8	0	0	0	109.8	L216 C229 M232	L216-L236 HydrophobicContact CB-CD2 4.05Å; L216-L236 HydrophobicContact CD2-CD2 3.89Å; C229-L236 WeakPolarHBondContact SG-CD1 3.17Å; M232-L236 HydrophobicContact CB-CD1 3.61Å; M232-L236 HydrophobicContact CB-CG 4.08Å; M232-L236 WeakPolarHBondContact O-CD1 3.34Å
237	F	51.9	Low	46.6	Very low	71 Å²	71	103 Å²	103	31%	0.311	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.8	168.3	-69.4	-87.2	0	0	0	109	F215 L217 K218 A256	F215-F237 HydrophobicContact CD1-CD2 4.02Å; F215-F237 HydrophobicContact CD1-CE2 4.08Å; F215-F237 HydrophobicContact CE1-CD2 4.05Å; F215-F237 AromaticContact CE1-CE2 3.65Å; F215-F237 HydrophobicContact CE1-CE2 3.65Å; L217-F237 HydrophobicContact CD1-CB 3.54Å; K218-F237 PolarHBondContact N-O 3.27Å; F237-A256 HydrophobicContact CD2-CB 4.3Å; F237-A256 HydrophobicContact CE1-CB 3.85Å; F237-A256 HydrophobicContact CE2-CB 3.36Å; F237-A256 HydrophobicContact CZ-CB 3.11Å
238	R	49.9	Very low	47.8	Very low	126 Å²	126	99.3 Å²	99.3	48%	0.475	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.9	175.7	-69.6	-178.1	-171.8	169.5	2.3	109.2
239	L	50.2	Low	49.1	Very low	4 Å²	4	98.6 Å²	98.6	2%	0.021	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.8	162.3	-117	104	0	0	0	108.6	I105 L217 K218 L220 F245 F250 L253	I105-L239 HydrophobicContact CD1-CD2 4.17Å; I105-L239 HydrophobicContact CG1-CD2 3.99Å; L217-L239 HydrophobicContact CD2-CB 4.11Å; L217-L239 HydrophobicContact CD2-CD1 3.44Å; L217-L239 VanDerWaalsContact CD2-CD1 3.44Å; L217-L239 HydrophobicContact CD2-CG 4.32Å; K218-L239 PolarHBondContact O-N 3.02Å; K218-L239 VanDerWaalsContact O-N 3.12Å; L220-L239 PolarHBondContact N-O 2.94Å; L239-F245 HydrophobicContact CD2-CD1 3.95Å; L239-F245 HydrophobicContact CD2-CE1 3.5Å; L239-F245 HydrophobicContact CD2-CZ 4.45Å; L239-F250 HydrophobicContact CD2-CE1 4.11Å; L239-F250 HydrophobicContact CD2-CE2 4.18Å; L239-F250 HydrophobicContact CD2-CZ 3.65Å; L239-L253 HydrophobicContact CD1-CD1 3.39Å
240	W	45.4	Very low	50.7	Low	119 Å²	119	95.4 Å²	95.4	45%	0.451	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.1	175	-58.5	91.9	0	0	0	109.2	M222 G242 F245 H249	M222-W240 HydrophobicContact CE-CE3 3.99Å; M222-W240 HydrophobicContact CE-CH2 4.28Å; M222-W240 HydrophobicContact CE-CZ3 3.38Å; W240-G242 PolarHBondContact O-N 3.14Å; W240-G242 VanDerWaalsContact O-N 3.08Å; W240-F245 WeakPolarHBondContact O-CE1 3.48Å; W240-H249 AromaticContact CD1-CE1 3.35Å; W240-H249 AromaticContact CD1-ND1 3.55Å; W240-H249 AromaticContact NE1-CE1 3.82Å
241	D	44.6	Very low	52.2	Low	86 Å²	86	87.4 Å²	87.4	46%	0.46	44%	0.442	S	S	.	.			trans	-81.9	77.4	165.1	-156.3	16.6	0	0	0	108.3	L219 T221	L219-D241 HydrophobicContact CD2-CB 4.02Å; T221-D241 HydrophobicContact CG2-CB 4.43Å
242	G	43	Very low	53.7	Low	29 Å²	29	89.6 Å²	89.6	30%	0.299	44%	0.435	S	S	.	.			trans	-110.6	139.5	170.1	0	0	0	0	0	108.4	W240 F244 F245	W240-G242 PolarHBondContact O-N 3.14Å; W240-G242 VanDerWaalsContact O-N 3.08Å; G242-F244 CarbonylContact O-C 3.6Å; G242-F244 PolarHBondContact O-N 3.37Å; G242-F245 PolarHBondContact O-N 3.15Å
243	I	44	Very low	55.2	Low	168 Å²	168	87.4 Å²	87.4	86%	0.862	42%	0.424	S	S	*	.	S	Bend	trans	-50.7	-19.5	177.4	-63	165	0	0	0	112.1
244	F	42.7	Very low	57.1	Low	167 Å²	167	78.4 Å²	78.4	73%	0.732	39%	0.391	S	S	*	.			trans	-111.7	89.8	170.2	-63.9	-87.4	0	0	0	110.8	G242 D246	G242-F244 CarbonylContact O-C 3.6Å; G242-F244 PolarHBondContact O-N 3.37Å; F244-D246 VanDerWaalsContact C-N 3.26Å; F244-D246 PolarHBondContact O-N 3.42Å
245	F	51.9	Low	58.8	Low	46 Å²	46	75.4 Å²	75.4	20%	0.202	37%	0.372	C	S	.	.			trans	-68	86.8	161.3	-80.6	-64.3	0	0	0	109.3	N104 L239 W240 G242 G247 F250	N104-F245 HydrophobicContact CB-CE2 4.24Å; L239-F245 HydrophobicContact CD2-CD1 3.95Å; L239-F245 HydrophobicContact CD2-CE1 3.5Å; L239-F245 HydrophobicContact CD2-CZ 4.45Å; W240-F245 WeakPolarHBondContact O-CE1 3.48Å; G242-F245 PolarHBondContact O-N 3.15Å; F245-G247 PolarHBondContact O-N 3.44Å; F245-F250 HydrophobicContact CB-CE2 3.8Å; F245-F250 AromaticContact CD1-CE2 3.63Å; F245-F250 HydrophobicContact CD1-CE2 3.63Å; F245-F250 HydrophobicContact CD1-CZ 4.03Å; F245-F250 HydrophobicContact CE1-CE2 4.49Å; F245-F250 HydrophobicContact CE1-CZ 4.5Å; F245-F250 AromaticContact CG-CE2 3.84Å; F245-F250 HydrophobicContact CG-CE2 3.84Å; F245-F250 HydrophobicContact CG-CZ 4.36Å
246	D	54.8	Low	60.1	Low	98 Å²	98	74.2 Å²	74.2	52%	0.524	36%	0.364	S	S	.	.			trans	-59.3	136.5	174.2	-71.5	-26.9	0	0	0	110.3	F244 E248 H249	F244-D246 VanDerWaalsContact C-N 3.26Å; F244-D246 PolarHBondContact O-N 3.42Å; D246-E248 PolarHBondContact O-N 3.49Å; D246-H249 PolarHBondContact O-N 3.49Å
247	G	62	Low	61.8	Low	37 Å²	37	71.2 Å²	71.2	38%	0.381	35%	0.348	S	S	.	.	H	α-helix	trans	-60.3	-16.9	-175.2	0	0	0	0	0	114.8	R113 F245 S251	R113-G247 VanDerWaalsContact NH1-CA 3.28Å; F245-G247 PolarHBondContact O-N 3.44Å; G247-S251 PolarHBondContact O-N 3.17Å
248	E	66.6	Low	63.5	Low	129 Å²	129	69.1 Å²	69.1	60%	0.603	34%	0.339	S	S	*	.	H	α-helix	trans	-69.3	-37.1	178.7	-60.3	-167.9	172.3	0	0	113.4	D246 F250 S251 R252	D246-E248 PolarHBondContact O-N 3.49Å; E248-F250 PolarHBondContact O-N 3.05Å; E248-S251 WeakPolarHBondContact O-CB 3.32Å; E248-S251 PolarHBondContact O-N 3.5Å; E248-R252 WeakPolarHBondContact O-CG 3.37Å; E248-R252 PolarHBondContact O-N 3.4Å
249	H	67	Low	65.2	Low	63 Å²	63	66.1 Å²	66.1	29%	0.292	33%	0.332	S	S	.	.	H	α-helix	trans	-66.1	-41.7	-178.3	-71.6	-174.4	0	0	0	111.4	W240 D246 S251 R252 L253	W240-H249 AromaticContact CD1-CE1 3.35Å; W240-H249 AromaticContact CD1-ND1 3.55Å; W240-H249 AromaticContact NE1-CE1 3.82Å; D246-H249 PolarHBondContact O-N 3.49Å; H249-S251 VanDerWaalsContact C-N 3.33Å; H249-R252 PolarHBondContact O-N 3.11Å; H249-L253 PolarHBondContact O-N 3.1Å; H249-L253 VanDerWaalsContact O-N 3.13Å
250	F	71.4	Confident	66.8	Low	2 Å²	2	67.5 Å²	67.5	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-40.5	172.6	-76	-82.3	0	0	0	111.5	I105 A108 L109 L239 F245 E248 R252 L253 E254	I105-F250 HydrophobicContact CG1-CZ 4.44Å; I105-F250 HydrophobicContact CG2-CE1 4.34Å; A108-F250 HydrophobicContact CB-CD1 3.78Å; A108-F250 HydrophobicContact CB-CD2 4.14Å; A108-F250 HydrophobicContact CB-CE1 3.34Å; A108-F250 HydrophobicContact CB-CE2 3.75Å; A108-F250 HydrophobicContact CB-CG 4.15Å; A108-F250 HydrophobicContact CB-CZ 3.32Å; L109-F250 HydrophobicContact CD2-CD1 4.1Å; L109-F250 HydrophobicContact CG-CD1 4.28Å; L109-F250 HydrophobicContact CG-CE1 4.38Å; L239-F250 HydrophobicContact CD2-CE1 4.11Å; L239-F250 HydrophobicContact CD2-CE2 4.18Å; L239-F250 HydrophobicContact CD2-CZ 3.65Å; F245-F250 HydrophobicContact CB-CE2 3.8Å; F245-F250 AromaticContact CD1-CE2 3.63Å; F245-F250 HydrophobicContact CD1-CE2 3.63Å; F245-F250 HydrophobicContact CD1-CZ 4.03Å; F245-F250 HydrophobicContact CE1-CE2 4.49Å; F245-F250 HydrophobicContact CE1-CZ 4.5Å; F245-F250 AromaticContact CG-CE2 3.84Å; F245-F250 HydrophobicContact CG-CE2 3.84Å; F245-F250 HydrophobicContact CG-CZ 4.36Å; E248-F250 PolarHBondContact O-N 3.05Å; F250-R252 PolarHBondContact O-N 3.48Å; F250-L253 PolarHBondContact O-N 3.38Å; F250-E254 WeakPolarHBondContact O-CB 3.44Å; F250-E254 WeakPolarHBondContact O-CG 3.28Å; F250-E254 PolarHBondContact O-N 2.8Å
251	S	74.1	Confident	68.7	Low	70 Å²	70	61.8 Å²	61.8	49%	0.49	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-41.6	176.9	-173.2	0	0	0	0	112.6	G247 E248 H249 L253 E254 H255	G247-S251 PolarHBondContact O-N 3.17Å; E248-S251 WeakPolarHBondContact O-CB 3.32Å; E248-S251 PolarHBondContact O-N 3.5Å; H249-S251 VanDerWaalsContact C-N 3.33Å; S251-L253 VanDerWaalsContact C-N 3.35Å; S251-L253 PolarHBondContact O-N 3.13Å; S251-E254 PolarHBondContact O-N 3.26Å; S251-H255 WeakPolarHBondContact O-CB 3.43Å; S251-H255 PolarHBondContact O-N 3.46Å
252	R	75.2	Confident	70.9	Confident	162 Å²	162	58.9 Å²	58.9	61%	0.611	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-38.4	175.2	-69.8	179.9	-175.3	-178.6	4.2	112.5	E248 H249 F250 H255 A256	E248-R252 WeakPolarHBondContact O-CG 3.37Å; E248-R252 PolarHBondContact O-N 3.4Å; H249-R252 PolarHBondContact O-N 3.11Å; F250-R252 PolarHBondContact O-N 3.48Å; R252-H255 WeakPolarHBondContact O-CB 3.38Å; R252-H255 PolarHBondContact O-N 3.15Å; R252-A256 PolarHBondContact O-N 2.99Å; R252-A256 VanDerWaalsContact O-N 3.07Å
253	L	76	Confident	73	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-71	-42.8	177.8	174.4	149.9	0	0	0	111.9	L109 L217 L239 H249 F250 S251 H255 A256 F257	L109-L253 HydrophobicContact CD2-CD2 3.75Å; L217-L253 HydrophobicContact CD1-CD1 3.43Å; L217-L253 VanDerWaalsContact CD1-CD1 3.43Å; L217-L253 HydrophobicContact CD1-CG 4.5Å; L217-L253 HydrophobicContact CD2-CD1 3.8Å; L217-L253 HydrophobicContact CG-CD1 4.26Å; L239-L253 HydrophobicContact CD1-CD1 3.39Å; H249-L253 PolarHBondContact O-N 3.1Å; H249-L253 VanDerWaalsContact O-N 3.13Å; F250-L253 PolarHBondContact O-N 3.38Å; S251-L253 VanDerWaalsContact C-N 3.35Å; S251-L253 PolarHBondContact O-N 3.13Å; L253-H255 PolarHBondContact O-N 3.01Å; L253-A256 PolarHBondContact O-N 3.45Å; L253-F257 HydrophobicContact CD1-CE2 4.42Å; L253-F257 HydrophobicContact CD1-CZ 3.99Å; L253-F257 HydrophobicContact CD2-CD2 3.65Å; L253-F257 HydrophobicContact CD2-CE1 4.35Å; L253-F257 HydrophobicContact CD2-CE2 3.09Å; L253-F257 HydrophobicContact CD2-CG 4.5Å; L253-F257 HydrophobicContact CD2-CZ 3.47Å; L253-F257 VanDerWaalsContact CD2-CZ 3.47Å; L253-F257 HydrophobicContact CG-CD2 4.33Å; L253-F257 HydrophobicContact CG-CE1 4.11Å; L253-F257 HydrophobicContact CG-CE2 3.74Å; L253-F257 HydrophobicContact CG-CZ 3.57Å; L253-F257 VanDerWaalsContact O-CG 3.29Å; L253-F257 WeakPolarHBondContact O-CG 3.24Å; L253-F257 PolarHBondContact O-N 3.26Å
254	E	80.5	Confident	75.1	Confident	16 Å²	16	54.7 Å²	54.7	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-37.7	171.2	-73.9	-175.3	154.1	0	0	111.3	L109 R117 L120 F122 F250 S251 F257 F258	L109-E254 HydrophobicContact CD2-CG 4.25Å; R117-E254 IonicContact NE-OE1 3.56Å; R117-E254 PolarHBondContact NE-OE1 3Å; R117-E254 IonicContact NH2-OE1 3.17Å; L120-E254 HydrophobicContact CD1-CB 4.37Å; F122-E254 HydrophobicContact CZ-CG 4.44Å; F250-E254 WeakPolarHBondContact O-CB 3.44Å; F250-E254 WeakPolarHBondContact O-CG 3.28Å; F250-E254 PolarHBondContact O-N 2.8Å; S251-E254 PolarHBondContact O-N 3.26Å; E254-F257 PolarHBondContact O-N 3.07Å; E254-F258 WeakPolarHBondContact O-CB 3.38Å; E254-F258 PolarHBondContact O-N 3.29Å
255	H	82.5	Confident	77.4	Confident	85 Å²	85	46.7 Å²	46.7	39%	0.394	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-52	175.6	-172.3	115	0	0	0	111.2	R118 S251 R252 L253 F257 F258 D259	R118-H255 VanDerWaalsContact NH1-CA 3.29Å; R118-H255 PolarHBondContact NH1-ND1 3.4Å; R118-H255 PolarHBondContact NH1-O 3.31Å; R118-H255 VanDerWaalsContact NH1-O 3.16Å; R118-H255 PolarHBondContact NH2-CE1 3.28Å; R118-H255 PolarHBondContact NH2-ND1 2.94Å; S251-H255 WeakPolarHBondContact O-CB 3.43Å; S251-H255 PolarHBondContact O-N 3.46Å; R252-H255 WeakPolarHBondContact O-CB 3.38Å; R252-H255 PolarHBondContact O-N 3.15Å; L253-H255 PolarHBondContact O-N 3.01Å; H255-F257 PolarHBondContact O-N 3.48Å; H255-F258 WeakPolarHBondContact O-CB 3.19Å; H255-F258 PolarHBondContact O-N 3.44Å; H255-D259 IonicContact CD2-OD1 3.1Å; H255-D259 IonicContact CD2-OD2 3.17Å; H255-D259 PolarHBondContact CD2-OD2 3.04Å; H255-D259 IonicContact NE2-OD1 3.02Å; H255-D259 IonicContact NE2-OD2 2.81Å; H255-D259 PolarHBondContact NE2-OD2 3.19Å; H255-D259 VanDerWaalsContact O-CG 3.31Å; H255-D259 PolarHBondContact O-N 3.29Å
256	A	80.5	Confident	79.3	Confident	11 Å²	11	48.4 Å²	48.4	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-44.4	179	0	0	0	0	0	112.5	F237 R252 L253 F258 D259 L260	F237-A256 HydrophobicContact CD2-CB 4.3Å; F237-A256 HydrophobicContact CE1-CB 3.85Å; F237-A256 HydrophobicContact CE2-CB 3.36Å; F237-A256 HydrophobicContact CZ-CB 3.11Å; R252-A256 PolarHBondContact O-N 2.99Å; R252-A256 VanDerWaalsContact O-N 3.07Å; L253-A256 PolarHBondContact O-N 3.45Å; A256-F258 VanDerWaalsContact C-N 3.31Å; A256-F258 PolarHBondContact O-N 3.43Å; A256-D259 PolarHBondContact O-N 3.44Å; A256-L260 WeakPolarHBondContact O-CD1 3.39Å; A256-L260 VanDerWaalsContact O-CG 3.24Å; A256-L260 WeakPolarHBondContact O-CG 3.47Å; A256-L260 PolarHBondContact O-N 3.17Å
257	F	83.9	Confident	80.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-40.2	177.6	-66.5	-13.2	0	0	0	112.6	I89 L91 L120 F122 V177 L253 E254 H255 L260 A261	I89-F257 HydrophobicContact CD1-CB 3.67Å; I89-F257 HydrophobicContact CD1-CD2 4.41Å; I89-F257 HydrophobicContact CD1-CG 4.42Å; L91-F257 HydrophobicContact CD2-CE2 4.47Å; L120-F257 HydrophobicContact CD1-CB 4.34Å; F122-F257 AromaticContact CE1-CD2 3.83Å; F122-F257 HydrophobicContact CE1-CD2 3.83Å; F122-F257 HydrophobicContact CE1-CE2 4.29Å; F122-F257 HydrophobicContact CZ-CD2 4.22Å; V177-F257 HydrophobicContact CB-CZ 4.21Å; V177-F257 HydrophobicContact CG1-CE1 4.03Å; V177-F257 HydrophobicContact CG1-CE2 4.43Å; V177-F257 HydrophobicContact CG1-CZ 3.6Å; V177-F257 HydrophobicContact CG2-CD1 4.05Å; V177-F257 HydrophobicContact CG2-CD2 4.44Å; V177-F257 HydrophobicContact CG2-CE1 3.62Å; V177-F257 HydrophobicContact CG2-CE2 3.99Å; V177-F257 HydrophobicContact CG2-CG 4.47Å; V177-F257 HydrophobicContact CG2-CZ 3.59Å; L253-F257 HydrophobicContact CD1-CE2 4.42Å; L253-F257 HydrophobicContact CD1-CZ 3.99Å; L253-F257 HydrophobicContact CD2-CD2 3.65Å; L253-F257 HydrophobicContact CD2-CE1 4.35Å; L253-F257 HydrophobicContact CD2-CE2 3.09Å; L253-F257 HydrophobicContact CD2-CG 4.5Å; L253-F257 HydrophobicContact CD2-CZ 3.47Å; L253-F257 VanDerWaalsContact CD2-CZ 3.47Å; L253-F257 HydrophobicContact CG-CD2 4.33Å; L253-F257 HydrophobicContact CG-CE1 4.11Å; L253-F257 HydrophobicContact CG-CE2 3.74Å; L253-F257 HydrophobicContact CG-CZ 3.57Å; L253-F257 VanDerWaalsContact O-CG 3.29Å; L253-F257 WeakPolarHBondContact O-CG 3.24Å; L253-F257 PolarHBondContact O-N 3.26Å; E254-F257 PolarHBondContact O-N 3.07Å; H255-F257 PolarHBondContact O-N 3.48Å; F257-L260 PolarHBondContact O-N 3.01Å; F257-A261 WeakPolarHBondContact O-CB 3.41Å; F257-A261 PolarHBondContact O-N 3.14Å
258	F	86.7	Confident	82.2	Confident	28 Å²	28	47.8 Å²	47.8	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-43.9	176.2	179.3	-96.7	0	0	0	112.6	Q87 R118 P119 L120 E254 H255 A256 L260 A261 Q262 Q303	Q87-F258 VanDerWaalsContact OE1-CD2 3.24Å; R118-F258 HydrophobicContact CB-CD2 4.02Å; R118-F258 HydrophobicContact CB-CE2 4.49Å; R118-F258 HydrophobicContact CB-CG 4.36Å; R118-F258 HydrophobicContact CG-CD2 4.44Å; R118-F258 HydrophobicContact CG-CG 4.41Å; P119-F258 HydrophobicContact CG-CE2 4.19Å; L120-F258 HydrophobicContact CD1-CB 4.33Å; L120-F258 HydrophobicContact CD2-CB 4.22Å; L120-F258 HydrophobicContact CD2-CD2 3.91Å; E254-F258 WeakPolarHBondContact O-CB 3.38Å; E254-F258 PolarHBondContact O-N 3.29Å; H255-F258 WeakPolarHBondContact O-CB 3.19Å; H255-F258 PolarHBondContact O-N 3.44Å; A256-F258 VanDerWaalsContact C-N 3.31Å; A256-F258 PolarHBondContact O-N 3.43Å; F258-L260 PolarHBondContact O-N 3.24Å; F258-A261 PolarHBondContact O-N 2.98Å; F258-Q262 HydrophobicContact CD1-CG 3.9Å; F258-Q262 HydrophobicContact CE1-CG 3.63Å; F258-Q262 HydrophobicContact CE2-CG 4.42Å; F258-Q262 HydrophobicContact CG-CG 4.46Å; F258-Q262 HydrophobicContact CZ-CG 3.94Å; F258-Q262 WeakPolarHBondContact O-CB 3.29Å; F258-Q262 VanDerWaalsContact O-CG 3.31Å; F258-Q262 WeakPolarHBondContact O-CG 3.5Å; F258-Q262 PolarHBondContact O-N 3.28Å; F258-Q303 HydrophobicContact CE2-CG 4.15Å; F258-Q303 HydrophobicContact CZ-CG 4.22Å
259	D	86.1	Confident	83.4	Confident	62 Å²	62	42.6 Å²	42.6	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-33.3	-178.6	-62.6	-12.3	0	0	0	112	R118 H255 A256 Q262 N263	R118-D259 IonicContact NH1-OD1 3Å; R118-D259 PolarHBondContact NH1-OD1 2.97Å; R118-D259 VanDerWaalsContact NH1-OD1 3.17Å; H255-D259 IonicContact CD2-OD1 3.1Å; H255-D259 IonicContact CD2-OD2 3.17Å; H255-D259 PolarHBondContact CD2-OD2 3.04Å; H255-D259 IonicContact NE2-OD1 3.02Å; H255-D259 IonicContact NE2-OD2 2.81Å; H255-D259 PolarHBondContact NE2-OD2 3.19Å; H255-D259 VanDerWaalsContact O-CG 3.31Å; H255-D259 PolarHBondContact O-N 3.29Å; A256-D259 PolarHBondContact O-N 3.44Å; D259-Q262 WeakPolarHBondContact O-CB 3.5Å; D259-N263 PolarHBondContact O-N 3.49Å; D259-N263 PolarHBondContact O-ND2 2.98Å
260	L	83.6	Confident	84.7	Confident	33 Å²	33	45.4 Å²	45.4	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-73.2	-42.8	176.1	-63.2	157.1	0	0	0	111.9	V175 V213 F215 A256 F257 F258 Q262 N263 Y264	V175-L260 HydrophobicContact CG1-CD1 4.39Å; V175-L260 HydrophobicContact CG2-CB 3.65Å; V213-L260 HydrophobicContact CG1-CB 4.45Å; V213-L260 HydrophobicContact CG1-CD1 4.22Å; V213-L260 HydrophobicContact CG1-CD2 4.24Å; F215-L260 HydrophobicContact CD2-CD1 3.61Å; F215-L260 HydrophobicContact CE1-CD1 3.95Å; F215-L260 HydrophobicContact CE2-CD1 2.97Å; F215-L260 HydrophobicContact CE2-CD2 3.57Å; F215-L260 HydrophobicContact CE2-CG 3.82Å; F215-L260 HydrophobicContact CG-CD1 4.37Å; F215-L260 HydrophobicContact CZ-CD1 3.21Å; F215-L260 HydrophobicContact CZ-CD2 3.67Å; F215-L260 HydrophobicContact CZ-CG 3.97Å; A256-L260 WeakPolarHBondContact O-CD1 3.39Å; A256-L260 VanDerWaalsContact O-CG 3.24Å; A256-L260 WeakPolarHBondContact O-CG 3.47Å; A256-L260 PolarHBondContact O-N 3.17Å; F257-L260 PolarHBondContact O-N 3.01Å; F258-L260 PolarHBondContact O-N 3.24Å; L260-Q262 VanDerWaalsContact C-N 3.27Å; L260-Q262 PolarHBondContact O-N 3.07Å; L260-N263 PolarHBondContact O-N 3.44Å; L260-Y264 PolarHBondContact O-N 2.88Å
261	A	86.4	Confident	85.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-37.9	174.9	0	0	0	0	0	111	Q87 A174 V175 F257 F258 Y264 Y265	Q87-A261 HydrophobicContact CB-CB 4.09Å; Q87-A261 HydrophobicContact CG-CB 4.38Å; A174-A261 HydrophobicContact CB-CB 3.94Å; V175-A261 HydrophobicContact CG2-CB 3.91Å; F257-A261 WeakPolarHBondContact O-CB 3.41Å; F257-A261 PolarHBondContact O-N 3.14Å; F258-A261 PolarHBondContact O-N 2.98Å; A261-Y264 WeakPolarHBondContact O-CB 2.9Å; A261-Y264 PolarHBondContact O-N 3.45Å; A261-Y265 WeakPolarHBondContact O-CD2 3.31Å; A261-Y265 PolarHBondContact O-N 3.38Å
262	Q	89.7	Confident	86.4	Confident	24 Å²	24	46.2 Å²	46.2	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-53.1	170.2	-80.7	-70.3	-1.6	0	0	111.7	F258 D259 L260 Y264 Y265 Q266 C302	F258-Q262 HydrophobicContact CD1-CG 3.9Å; F258-Q262 HydrophobicContact CE1-CG 3.63Å; F258-Q262 HydrophobicContact CE2-CG 4.42Å; F258-Q262 HydrophobicContact CG-CG 4.46Å; F258-Q262 HydrophobicContact CZ-CG 3.94Å; F258-Q262 WeakPolarHBondContact O-CB 3.29Å; F258-Q262 VanDerWaalsContact O-CG 3.31Å; F258-Q262 WeakPolarHBondContact O-CG 3.5Å; F258-Q262 PolarHBondContact O-N 3.28Å; D259-Q262 WeakPolarHBondContact O-CB 3.5Å; L260-Q262 VanDerWaalsContact C-N 3.27Å; L260-Q262 PolarHBondContact O-N 3.07Å; Q262-Y264 VanDerWaalsContact C-N 3.26Å; Q262-Y264 PolarHBondContact O-N 3.36Å; Q262-Y265 PolarHBondContact O-N 3.29Å; Q262-Q266 WeakPolarHBondContact O-CB 3.28Å; Q262-Q266 WeakPolarHBondContact O-CG 3.05Å; Q262-Q266 PolarHBondContact O-N 3.49Å; Q262-C302 VanDerWaalsContact NE2-C 3.31Å; Q262-C302 PolarHBondContact NE2-O 3.34Å; Q262-C302 PolarHBondContact OE1-O 3.26Å
263	N	87.8	Confident	87.2	Confident	86 Å²	86	41.7 Å²	41.7	46%	0.46	20%	0.204	S	C	.	.	H	α-helix	trans	-57.7	-38.8	178.2	-77.5	-52.5	0	0	0	112.5	D259 L260 N267	D259-N263 PolarHBondContact O-N 3.49Å; D259-N263 PolarHBondContact O-ND2 2.98Å; L260-N263 PolarHBondContact O-N 3.44Å; N263-N267 VanDerWaalsContact O-CG 3.22Å; N263-N267 PolarHBondContact O-N 2.99Å; N263-N267 VanDerWaalsContact O-N 3.14Å; N263-N267 PolarHBondContact O-ND2 3.21Å
264	Y	87.3	Confident	88	Confident	23 Å²	23	45.7 Å²	45.7	9%	0.09	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-55.5	175.6	173.1	-99.8	0	0	0	111.8	V172 A174 T210 L260 A261 Q262 Q266 N267 E268	V172-Y264 WeakPolarHBondContact CG1-OH 3.43Å; A174-Y264 HydrophobicContact CB-CD1 3.46Å; A174-Y264 VanDerWaalsContact CB-CD1 3.46Å; A174-Y264 HydrophobicContact CB-CE1 4.1Å; A174-Y264 HydrophobicContact CB-CG 3.99Å; T210-Y264 WeakPolarHBondContact O-CE2 3.32Å; L260-Y264 PolarHBondContact O-N 2.88Å; A261-Y264 WeakPolarHBondContact O-CB 2.9Å; A261-Y264 PolarHBondContact O-N 3.45Å; Q262-Y264 VanDerWaalsContact C-N 3.26Å; Q262-Y264 PolarHBondContact O-N 3.36Å; Y264-Q266 VanDerWaalsContact C-N 3.33Å; Y264-Q266 PolarHBondContact O-N 3.22Å; Y264-N267 WeakPolarHBondContact O-CB 3.28Å; Y264-N267 PolarHBondContact O-N 3.15Å; Y264-N267 VanDerWaalsContact O-N 3.12Å; Y264-E268 HydrophobicContact CE1-CG 4.04Å; Y264-E268 HydrophobicContact CE2-CG 4.25Å; Y264-E268 PolarHBondContact O-N 2.98Å
265	Y	90.9	Very high	88.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-28.5	-177.2	-68.6	-61.6	0	0	0	113.1	Q87 H168 A174 A261 Q262 N267 E268 L269 F298 L301 C302	Q87-Y265 HydrophobicContact CB-CE2 3.86Å; Q87-Y265 HydrophobicContact CG-CD2 4.03Å; Q87-Y265 HydrophobicContact CG-CE2 3.72Å; H168-Y265 PolarHBondContact O-OH 3.49Å; A174-Y265 HydrophobicContact CB-CD2 4.27Å; A174-Y265 HydrophobicContact CB-CE2 3.55Å; A261-Y265 WeakPolarHBondContact O-CD2 3.31Å; A261-Y265 PolarHBondContact O-N 3.38Å; Q262-Y265 PolarHBondContact O-N 3.29Å; Y265-N267 VanDerWaalsContact C-N 3.31Å; Y265-N267 PolarHBondContact O-N 3.28Å; Y265-E268 PolarHBondContact O-N 2.94Å; Y265-L269 VanDerWaalsContact O-CB 3.28Å; Y265-L269 WeakPolarHBondContact O-CB 3.38Å; Y265-L269 PolarHBondContact O-N 3.5Å; Y265-F298 AromaticContact CD1-CD1 3.99Å; Y265-F298 HydrophobicContact CD1-CD1 3.99Å; Y265-F298 HydrophobicContact CD1-CE1 4.35Å; Y265-L301 HydrophobicContact CD1-CB 4.19Å; Y265-L301 HydrophobicContact CD1-CD1 3.9Å; Y265-L301 HydrophobicContact CD2-CB 4.03Å; Y265-L301 HydrophobicContact CE1-CB 4.42Å; Y265-L301 HydrophobicContact CE1-CD1 3.61Å; Y265-L301 HydrophobicContact CE1-CG 4.45Å; Y265-L301 HydrophobicContact CE2-CB 4.26Å; Y265-L301 HydrophobicContact CE2-CD2 4.44Å; Y265-L301 HydrophobicContact CG-CB 3.99Å; Y265-C302 VanDerWaalsContact CB-SG 3.51Å
266	Q	92	Very high	88.9	Confident	81 Å²	81	45.9 Å²	45.9	38%	0.379	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-36.5	170.4	-73.9	176.9	9.7	0	0	112	Q262 Y264 K270	Q262-Q266 WeakPolarHBondContact O-CB 3.28Å; Q262-Q266 WeakPolarHBondContact O-CG 3.05Å; Q262-Q266 PolarHBondContact O-N 3.49Å; Y264-Q266 VanDerWaalsContact C-N 3.33Å; Y264-Q266 PolarHBondContact O-N 3.22Å; Q266-K270 WeakPolarHBondContact O-CG 3.45Å; Q266-K270 PolarHBondContact O-N 3.45Å
267	N	89.5	Confident	89.4	Confident	77 Å²	77	52.5 Å²	52.5	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-70.4	-43.1	174.5	-70.1	-32.6	0	0	0	111.7	N263 Y264 Y265 L269 K270 I271	N263-N267 VanDerWaalsContact O-CG 3.22Å; N263-N267 PolarHBondContact O-N 2.99Å; N263-N267 VanDerWaalsContact O-N 3.14Å; N263-N267 PolarHBondContact O-ND2 3.21Å; Y264-N267 WeakPolarHBondContact O-CB 3.28Å; Y264-N267 PolarHBondContact O-N 3.15Å; Y264-N267 VanDerWaalsContact O-N 3.12Å; Y265-N267 VanDerWaalsContact C-N 3.31Å; Y265-N267 PolarHBondContact O-N 3.28Å; N267-L269 VanDerWaalsContact C-N 3.27Å; N267-L269 PolarHBondContact O-N 3.01Å; N267-K270 WeakPolarHBondContact O-CB 3.45Å; N267-K270 PolarHBondContact O-N 3.42Å; N267-K270 VanDerWaalsContact O-N 3.12Å; N267-I271 WeakPolarHBondContact O-CG1 3.31Å; N267-I271 PolarHBondContact O-N 3.27Å
268	E	88.9	Confident	89.7	Confident	45 Å²	45	56.7 Å²	56.7	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-37.7	173.2	-70.2	-63.8	127.5	0	0	111.9	Y264 Y265 I271 A272 F298	Y264-E268 HydrophobicContact CE1-CG 4.04Å; Y264-E268 HydrophobicContact CE2-CG 4.25Å; Y264-E268 PolarHBondContact O-N 2.98Å; Y265-E268 PolarHBondContact O-N 2.94Å; E268-I271 PolarHBondContact O-N 2.92Å; E268-A272 WeakPolarHBondContact O-CB 3.32Å; E268-A272 PolarHBondContact O-N 3.33Å; E268-F298 HydrophobicContact CB-CD1 4.28Å; E268-F298 HydrophobicContact CB-CD2 4.24Å; E268-F298 HydrophobicContact CB-CE1 4.05Å; E268-F298 HydrophobicContact CB-CE2 3.99Å; E268-F298 HydrophobicContact CB-CG 4.38Å; E268-F298 HydrophobicContact CB-CZ 3.89Å
269	L	92.6	Very high	89.7	Confident	20 Å²	20	57.3 Å²	57.3	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-41.4	173.3	179.2	61.9	0	0	0	111.9	Y265 N267 A272 K273 Q295 F298 Y311	Y265-L269 VanDerWaalsContact O-CB 3.28Å; Y265-L269 WeakPolarHBondContact O-CB 3.38Å; Y265-L269 PolarHBondContact O-N 3.5Å; N267-L269 VanDerWaalsContact C-N 3.27Å; N267-L269 PolarHBondContact O-N 3.01Å; L269-A272 PolarHBondContact O-N 2.74Å; L269-K273 WeakPolarHBondContact O-CG 3.39Å; L269-K273 PolarHBondContact O-N 3.13Å; L269-Q295 HydrophobicContact CD1-CB 3.88Å; L269-Q295 HydrophobicContact CD1-CG 4.02Å; L269-Q295 WeakPolarHBondContact CD1-O 3.47Å; L269-F298 HydrophobicContact CB-CB 4.16Å; L269-F298 HydrophobicContact CD1-CB 4.3Å; L269-Y311 HydrophobicContact CD1-CE2 4.39Å
270	K	93	Very high	89.6	Confident	123 Å²	123	57 Å²	57	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-44.9	173.9	-72.5	171.2	-173.8	173.9	0	111.4	Q266 N267 A272 K273 T274	Q266-K270 WeakPolarHBondContact O-CG 3.45Å; Q266-K270 PolarHBondContact O-N 3.45Å; N267-K270 WeakPolarHBondContact O-CB 3.45Å; N267-K270 PolarHBondContact O-N 3.42Å; N267-K270 VanDerWaalsContact O-N 3.12Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.41Å; K270-K273 WeakPolarHBondContact O-CB 3.45Å; K270-K273 PolarHBondContact O-N 3.4Å; K270-K273 VanDerWaalsContact O-N 3.11Å; K270-T274 PolarHBondContact O-N 3.11Å; K270-T274 PolarHBondContact O-OG1 3.2Å
271	I	90.4	Very high	89.5	Confident	83 Å²	83	61.1 Å²	61.1	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-43.7	176.6	-65.8	164.9	0	0	0	110.7	N267 E268 K273 T274 K275	N267-I271 WeakPolarHBondContact O-CG1 3.31Å; N267-I271 PolarHBondContact O-N 3.27Å; E268-I271 PolarHBondContact O-N 2.92Å; I271-K273 VanDerWaalsContact C-N 3.32Å; I271-K273 PolarHBondContact O-N 3.24Å; I271-T274 PolarHBondContact O-N 2.71Å; I271-K275 HydrophobicContact CG2-CD 4.45Å; I271-K275 WeakPolarHBondContact O-CG 3.47Å; I271-K275 PolarHBondContact O-N 3.47Å
272	A	90.3	Very high	89.2	Confident	5 Å²	5	65.3 Å²	65.3	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-35.1	176.4	0	0	0	0	0	112.7	E268 L269 K270 K276 Q295 F298	E268-A272 WeakPolarHBondContact O-CB 3.32Å; E268-A272 PolarHBondContact O-N 3.33Å; L269-A272 PolarHBondContact O-N 2.74Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.41Å; A272-K276 WeakPolarHBondContact O-CB 3.46Å; A272-K276 PolarHBondContact O-N 3.13Å; A272-K276 VanDerWaalsContact O-N 3.15Å; A272-Q295 HydrophobicContact CB-CG 4.1Å; A272-F298 HydrophobicContact CB-CD2 4.35Å; A272-F298 HydrophobicContact CB-CE2 4.37Å
273	K	93.1	Very high	88.8	Confident	67 Å²	67	69.7 Å²	69.7	29%	0.291	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-53.2	172.1	-76.1	169.8	175.2	-170	0	112	L269 K270 I271 K275 K276 E277 Q295 Y311	L269-K273 WeakPolarHBondContact O-CG 3.39Å; L269-K273 PolarHBondContact O-N 3.13Å; K270-K273 WeakPolarHBondContact O-CB 3.45Å; K270-K273 PolarHBondContact O-N 3.4Å; K270-K273 VanDerWaalsContact O-N 3.11Å; I271-K273 VanDerWaalsContact C-N 3.32Å; I271-K273 PolarHBondContact O-N 3.24Å; K273-K275 VanDerWaalsContact C-N 3.32Å; K273-K275 PolarHBondContact O-N 2.89Å; K273-K276 WeakPolarHBondContact O-CB 3.43Å; K273-K276 PolarHBondContact O-N 3.14Å; K273-E277 WeakPolarHBondContact O-CG 3.46Å; K273-E277 PolarHBondContact O-N 3.42Å; K273-Q295 VanDerWaalsContact CA-NE2 3.32Å; K273-Q295 HydrophobicContact CG-CG 4.43Å; K273-Y311 WeakPolarHBondContact CE-OH 3.46Å; K273-Y311 PolarHBondContact NZ-OH 2.89Å; K273-Y311 VanDerWaalsContact NZ-OH 3.16Å
274	T	93.5	Very high	88.6	Confident	90 Å²	90	66.7 Å²	66.7	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-42.7	179.8	-52.8	0	0	0	0	111.9	K270 I271 K276 E277 A278	K270-T274 PolarHBondContact O-N 3.11Å; K270-T274 PolarHBondContact O-OG1 3.2Å; I271-T274 PolarHBondContact O-N 2.71Å; T274-K276 VanDerWaalsContact C-N 3.29Å; T274-K276 PolarHBondContact O-N 3.16Å; T274-E277 PolarHBondContact O-N 2.94Å; T274-A278 PolarHBondContact O-N 3.02Å; T274-A278 VanDerWaalsContact O-N 3.08Å
275	K	90.4	Very high	88.7	Confident	96 Å²	96	68.5 Å²	68.5	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-34.2	176	-73.1	-170.3	175.3	-155	0	113.1	I271 K273 L279 Y291	I271-K275 HydrophobicContact CG2-CD 4.45Å; I271-K275 WeakPolarHBondContact O-CG 3.47Å; I271-K275 PolarHBondContact O-N 3.47Å; K273-K275 VanDerWaalsContact C-N 3.32Å; K273-K275 PolarHBondContact O-N 2.89Å; K275-L279 WeakPolarHBondContact O-CD1 3.46Å; K275-L279 VanDerWaalsContact O-CG 3.32Å; K275-L279 WeakPolarHBondContact O-CG 3.42Å; K275-Y291 HydrophobicContact CB-CD1 4.04Å; K275-Y291 HydrophobicContact CB-CE1 3.75Å; K275-Y291 HydrophobicContact CB-CE2 4.41Å; K275-Y291 HydrophobicContact CB-CG 4.5Å; K275-Y291 HydrophobicContact CD-CE1 3.63Å; K275-Y291 HydrophobicContact CG-CE1 4.34Å
276	K	90.9	Very high	88.6	Confident	10 Å²	10	71 Å²	71	4%	0.043	37%	0.374	C	S	.	.	H	α-helix	trans	-73.1	-40.6	177.1	179	179	165.1	173.7	0	112.2	A272 K273 T274 A278 L279 Y288 S292 Q295 Q314	A272-K276 WeakPolarHBondContact O-CB 3.46Å; A272-K276 PolarHBondContact O-N 3.13Å; A272-K276 VanDerWaalsContact O-N 3.15Å; K273-K276 WeakPolarHBondContact O-CB 3.43Å; K273-K276 PolarHBondContact O-N 3.14Å; T274-K276 VanDerWaalsContact C-N 3.29Å; T274-K276 PolarHBondContact O-N 3.16Å; K276-A278 VanDerWaalsContact C-N 3.28Å; K276-A278 PolarHBondContact O-N 3.19Å; K276-L279 PolarHBondContact O-N 2.97Å; K276-Y288 HydrophobicContact CD-CE1 4.42Å; K276-Y288 HydrophobicContact CD-CE2 4.45Å; K276-Y288 WeakPolarHBondContact CE-OH 3.28Å; K276-Y288 HydrophobicContact CG-CD2 4.06Å; K276-Y288 HydrophobicContact CG-CE2 3.78Å; K276-S292 VanDerWaalsContact CE-OG 3.27Å; K276-S292 WeakPolarHBondContact CE-OG 3.49Å; K276-S292 PolarHBondContact NZ-OG 2.9Å; K276-Q295 VanDerWaalsContact CD-OE1 3.23Å; K276-Q314 VanDerWaalsContact NZ-NE2 3.18Å
277	E	90.6	Very high	88.5	Confident	150 Å²	150	67.6 Å²	67.6	70%	0.701	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-31.3	177.8	-72.8	163.5	-174.9	0	0	112.2	K273 T274 L279	K273-E277 WeakPolarHBondContact O-CG 3.46Å; K273-E277 PolarHBondContact O-N 3.42Å; T274-E277 PolarHBondContact O-N 2.94Å; E277-L279 PolarHBondContact O-N 2.89Å
278	A	90	Very high	88.6	Confident	87 Å²	87	65.6 Å²	65.6	72%	0.719	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.7	174.3	0	0	0	0	0	114.2	T274 K276	T274-A278 PolarHBondContact O-N 3.02Å; T274-A278 VanDerWaalsContact O-N 3.08Å; K276-A278 VanDerWaalsContact C-N 3.28Å; K276-A278 PolarHBondContact O-N 3.19Å
279	L	87.8	Confident	88.7	Confident	41 Å²	41	63.4 Å²	63.4	22%	0.215	34%	0.335	C	S	.	.	S	Bend	trans	-97.7	141.3	-177.9	-68.2	166.7	0	0	0	111.8	K275 K276 E277 L287 Y291	K275-L279 WeakPolarHBondContact O-CD1 3.46Å; K275-L279 VanDerWaalsContact O-CG 3.32Å; K275-L279 WeakPolarHBondContact O-CG 3.42Å; K276-L279 PolarHBondContact O-N 2.97Å; E277-L279 PolarHBondContact O-N 2.89Å; L279-L287 HydrophobicContact CD1-CB 3.69Å; L279-L287 HydrophobicContact CD2-CB 4.44Å; L279-L287 HydrophobicContact CD2-CD1 3.95Å; L279-Y291 HydrophobicContact CD1-CD2 3.45Å; L279-Y291 VanDerWaalsContact CD1-CD2 3.45Å; L279-Y291 HydrophobicContact CD1-CE2 3.55Å
280	S	83.9	Confident	88.8	Confident	57 Å²	57	62.8 Å²	62.8	40%	0.399	33%	0.331	S	S	.	.			trans	-74.1	129.9	168.2	176	0	0	0	0	110.9	S282 S284	S280-S282 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 3.31Å; S280-S282 PolarHBondContact OG-OG 3.04Å; S280-S284 PolarHBondContact O-N 3.29Å; S280-S284 VanDerWaalsContact O-N 3.1Å
281	R	80.8	Confident	88.8	Confident	119 Å²	119	57.4 Å²	57.4	45%	0.449	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.7	179.6	-177.7	177.1	172	-179.9	-4.1	112.8	Q285 Y288 M318 E321	R281-Q285 WeakPolarHBondContact O-CG 3.4Å; R281-Y288 HydrophobicContact CB-CE2 4.44Å; R281-M318 HydrophobicContact CG-SD 4.33Å; R281-M318 VanDerWaalsContact CZ-SD 3.53Å; R281-M318 PolarHBondContact NE-SD 3.42Å; R281-E321 IonicContact CZ-OE1 3.58Å; R281-E321 IonicContact CZ-OE2 3.98Å; R281-E321 IonicContact NE-OE2 3.16Å; R281-E321 PolarHBondContact NE-OE2 2.94Å; R281-E321 IonicContact NH2-OE1 2.81Å; R281-E321 PolarHBondContact NH2-OE1 3.21Å; R281-E321 IonicContact NH2-OE2 3.18Å; R281-E321 PolarHBondContact NH2-OE2 2.92Å
282	S	79.8	Confident	89	Confident	88 Å²	88	53.5 Å²	53.5	62%	0.615	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-40.3	-178	53.8	0	0	0	0	112.8	S280 Q285	S280-S282 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 3.31Å; S280-S282 PolarHBondContact OG-OG 3.04Å; S282-Q285 WeakPolarHBondContact O-CG 3.49Å
283	V	81.6	Confident	89.3	Confident	116 Å²	116	53.3 Å²	53.3	70%	0.703	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-42.3	-173.9	-176.9	0	0	0	0	111.4
284	S	84.5	Confident	89.4	Confident	22 Å²	22	51.7 Å²	51.7	15%	0.154	28%	0.279	C	S	.	.			trans	-113.3	46.8	-171.1	-55.3	0	0	0	0	112.2	S280 R286 L287 Y288	S280-S284 PolarHBondContact O-N 3.29Å; S280-S284 VanDerWaalsContact O-N 3.1Å; S284-R286 VanDerWaalsContact C-N 3.31Å; S284-R286 PolarHBondContact O-N 3.42Å; S284-L287 PolarHBondContact O-N 3.37Å; S284-L287 VanDerWaalsContact O-N 3.12Å; S284-Y288 PolarHBondContact O-N 3.46Å
285	Q	88.4	Confident	89.5	Confident	61 Å²	61	47.7 Å²	47.7	29%	0.285	25%	0.254	S	S	.	.	H	α-helix	trans	-52.8	-44.7	-175	-62.3	178.5	-40.3	0	0	112.8	R281 S282 L287 Y288 V289 E321 I322	R281-Q285 WeakPolarHBondContact O-CG 3.4Å; S282-Q285 WeakPolarHBondContact O-CG 3.49Å; Q285-L287 PolarHBondContact O-N 2.97Å; Q285-Y288 WeakPolarHBondContact O-CB 3.25Å; Q285-Y288 PolarHBondContact O-N 3.31Å; Q285-V289 WeakPolarHBondContact O-CG2 3.2Å; Q285-V289 PolarHBondContact O-N 3.15Å; Q285-E321 PolarHBondContact NE2-O 3.01Å; Q285-E321 VanDerWaalsContact NE2-O 3.11Å; Q285-I322 HydrophobicContact CB-CD1 4.25Å; Q285-I322 HydrophobicContact CB-CG1 3.71Å
286	R	89	Confident	89.7	Confident	54 Å²	54	43.1 Å²	43.1	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-44.9	178.7	-70.7	-174.1	173.8	112.7	-1.3	112.9	I159 S284 Y288 V289 R290 I322	I159-R286 HydrophobicContact CG1-CB 4.13Å; I159-R286 HydrophobicContact CG1-CG 4.05Å; S284-R286 VanDerWaalsContact C-N 3.31Å; S284-R286 PolarHBondContact O-N 3.42Å; R286-Y288 VanDerWaalsContact C-N 3.31Å; R286-V289 PolarHBondContact O-N 3.11Å; R286-R290 WeakPolarHBondContact O-CB 3.36Å; R286-R290 PolarHBondContact O-N 3.14Å; R286-I322 HydrophobicContact CG-CD1 4.25Å
287	L	89.3	Confident	89.9	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-37.2	176.8	-66.1	177.4	0	0	0	110.9	D153 A155 L279 S284 Q285 R290 Y291	D153-L287 WeakPolarHBondContact O-CD1 3.43Å; A155-L287 HydrophobicContact CB-CD1 4.14Å; A155-L287 HydrophobicContact CB-CG 4.36Å; L279-L287 HydrophobicContact CD1-CB 3.69Å; L279-L287 HydrophobicContact CD2-CB 4.44Å; L279-L287 HydrophobicContact CD2-CD1 3.95Å; S284-L287 PolarHBondContact O-N 3.37Å; S284-L287 VanDerWaalsContact O-N 3.12Å; Q285-L287 PolarHBondContact O-N 2.97Å; L287-R290 VanDerWaalsContact O-CB 3.32Å; L287-R290 WeakPolarHBondContact O-CB 3.42Å; L287-R290 PolarHBondContact O-N 3.45Å; L287-Y291 HydrophobicContact CB-CD2 4.47Å; L287-Y291 HydrophobicContact CB-CE2 4.3Å; L287-Y291 WeakPolarHBondContact O-CD2 3.38Å; L287-Y291 PolarHBondContact O-N 3.34Å
288	Y	91.1	Very high	90.1	Very high	35 Å²	35	35.8 Å²	35.8	14%	0.137	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-44.3	177.2	-160.8	-80.1	0	0	0	112	K276 R281 S284 Q285 R286 R290 S292 Q314 M318	K276-Y288 HydrophobicContact CD-CE1 4.42Å; K276-Y288 HydrophobicContact CD-CE2 4.45Å; K276-Y288 WeakPolarHBondContact CE-OH 3.28Å; K276-Y288 HydrophobicContact CG-CD2 4.06Å; K276-Y288 HydrophobicContact CG-CE2 3.78Å; R281-Y288 HydrophobicContact CB-CE2 4.44Å; S284-Y288 PolarHBondContact O-N 3.46Å; Q285-Y288 WeakPolarHBondContact O-CB 3.25Å; Q285-Y288 PolarHBondContact O-N 3.31Å; R286-Y288 VanDerWaalsContact C-N 3.31Å; Y288-R290 VanDerWaalsContact C-N 3.35Å; Y288-S292 WeakPolarHBondContact O-CB 3.47Å; Y288-S292 PolarHBondContact O-N 2.89Å; Y288-S292 PolarHBondContact O-OG 3.02Å; Y288-Q314 PolarHBondContact OH-NE2 3.09Å; Y288-M318 HydrophobicContact CD1-CB 4.27Å; Y288-M318 HydrophobicContact CD1-CG 3.65Å; Y288-M318 HydrophobicContact CD1-SD 4.27Å; Y288-M318 HydrophobicContact CE1-CG 3.68Å; Y288-M318 HydrophobicContact CE1-SD 3.98Å
289	V	92.9	Very high	90.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-46.3	172.1	174.7	0	0	0	0	110.5	I159 Q285 R286 S292 F293 M318 L319 I322 I335	I159-V289 HydrophobicContact CG2-CB 4.21Å; I159-V289 HydrophobicContact CG2-CG1 3.79Å; Q285-V289 WeakPolarHBondContact O-CG2 3.2Å; Q285-V289 PolarHBondContact O-N 3.15Å; R286-V289 PolarHBondContact O-N 3.11Å; V289-S292 PolarHBondContact O-N 3.16Å; V289-F293 PolarHBondContact O-N 3.16Å; V289-M318 HydrophobicContact CG2-CB 3.85Å; V289-L319 HydrophobicContact CG1-CB 4.24Å; V289-L319 HydrophobicContact CG1-CD1 4.2Å; V289-L319 HydrophobicContact CG2-CB 4.05Å; V289-I322 HydrophobicContact CG2-CD1 3.85Å; V289-I335 HydrophobicContact CG1-CG2 4.36Å
290	R	93.4	Very high	90.6	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-54.4	-56	177.4	178.5	-169.2	-68	-178.1	0.4	111.6	D153 G158 I159 R286 L287 Y288 S292 F293 K294	D153-R290 IonicContact OD1-NH1 3.56Å; G158-R290 PolarHBondContact O-NH2 2.83Å; I159-R290 HydrophobicContact CG2-CB 4.44Å; I159-R290 VanDerWaalsContact O-CB 3.23Å; I159-R290 WeakPolarHBondContact O-CB 3.35Å; I159-R290 WeakPolarHBondContact O-CD 3.36Å; I159-R290 WeakPolarHBondContact O-CG 3.04Å; I159-R290 PolarHBondContact O-NE 3.34Å; R286-R290 WeakPolarHBondContact O-CB 3.36Å; R286-R290 PolarHBondContact O-N 3.14Å; L287-R290 VanDerWaalsContact O-CB 3.32Å; L287-R290 WeakPolarHBondContact O-CB 3.42Å; L287-R290 PolarHBondContact O-N 3.45Å; Y288-R290 VanDerWaalsContact C-N 3.35Å; R290-S292 VanDerWaalsContact C-N 3.31Å; R290-S292 PolarHBondContact O-N 3.42Å; R290-F293 WeakPolarHBondContact O-CB 3.1Å; R290-F293 PolarHBondContact O-N 3.41Å; R290-K294 HydrophobicContact CG-CD 4.45Å; R290-K294 VanDerWaalsContact O-CG 3.31Å; R290-K294 WeakPolarHBondContact O-CG 3.24Å; R290-K294 PolarHBondContact O-N 2.82Å
291	Y	93.7	Very high	90.9	Very high	11 Å²	11	27.4 Å²	27.4	4%	0.043	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-32	-177.8	-69.1	-71.1	0	0	0	112.4	D153 K275 L279 L287 K294 Q295	D153-Y291 PolarHBondContact OD1-OH 3.07Å; D153-Y291 PolarHBondContact OD2-OH 2.87Å; K275-Y291 HydrophobicContact CB-CD1 4.04Å; K275-Y291 HydrophobicContact CB-CE1 3.75Å; K275-Y291 HydrophobicContact CB-CE2 4.41Å; K275-Y291 HydrophobicContact CB-CG 4.5Å; K275-Y291 HydrophobicContact CD-CE1 3.63Å; K275-Y291 HydrophobicContact CG-CE1 4.34Å; L279-Y291 HydrophobicContact CD1-CD2 3.45Å; L279-Y291 VanDerWaalsContact CD1-CD2 3.45Å; L279-Y291 HydrophobicContact CD1-CE2 3.55Å; L287-Y291 HydrophobicContact CB-CD2 4.47Å; L287-Y291 HydrophobicContact CB-CE2 4.3Å; L287-Y291 WeakPolarHBondContact O-CD2 3.38Å; L287-Y291 PolarHBondContact O-N 3.34Å; Y291-K294 HydrophobicContact CD1-CD 4.14Å; Y291-K294 PolarHBondContact O-N 2.87Å; Y291-Q295 VanDerWaalsContact O-CG 3.28Å; Y291-Q295 WeakPolarHBondContact O-CG 3.28Å; Y291-Q295 PolarHBondContact O-N 3.36Å
292	S	94.9	Very high	91.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-42.1	172.9	-57.1	0	0	0	0	112.1	K276 Y288 V289 R290 Q295 G296	K276-S292 VanDerWaalsContact CE-OG 3.27Å; K276-S292 WeakPolarHBondContact CE-OG 3.49Å; K276-S292 PolarHBondContact NZ-OG 2.9Å; Y288-S292 WeakPolarHBondContact O-CB 3.47Å; Y288-S292 PolarHBondContact O-N 2.89Å; Y288-S292 PolarHBondContact O-OG 3.02Å; V289-S292 PolarHBondContact O-N 3.16Å; R290-S292 VanDerWaalsContact C-N 3.31Å; R290-S292 PolarHBondContact O-N 3.42Å; S292-Q295 PolarHBondContact O-N 2.92Å; S292-G296 PolarHBondContact O-N 3.49Å; S292-G296 VanDerWaalsContact O-N 3.09Å
293	F	95.6	Very high	91.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-44.9	172.2	179.8	-84.9	0	0	0	111.5	L81 L160 W164 M165 V289 R290 Q295 G296 F297 Y312 F338 L339	L81-F293 HydrophobicContact CD2-CZ 4.13Å; L160-F293 HydrophobicContact CD1-CD1 3.89Å; L160-F293 HydrophobicContact CD1-CE1 4.12Å; L160-F293 HydrophobicContact CD2-CD1 3.97Å; L160-F293 HydrophobicContact CD2-CE1 3.6Å; L160-F293 HydrophobicContact CD2-CE2 4.44Å; L160-F293 HydrophobicContact CD2-CZ 3.88Å; W164-F293 HydrophobicContact CZ3-CD1 4.3Å; W164-F293 HydrophobicContact CZ3-CE1 4.07Å; M165-F293 HydrophobicContact CG-CE1 4.45Å; M165-F293 HydrophobicContact SD-CE1 4.18Å; M165-F293 HydrophobicContact SD-CZ 3.99Å; V289-F293 PolarHBondContact O-N 3.16Å; R290-F293 WeakPolarHBondContact O-CB 3.1Å; R290-F293 PolarHBondContact O-N 3.41Å; F293-Q295 VanDerWaalsContact C-N 3.35Å; F293-Q295 PolarHBondContact O-N 2.92Å; F293-G296 PolarHBondContact O-N 3.35Å; F293-F297 HydrophobicContact CE1-CB 4.46Å; F293-F297 PolarHBondContact O-N 3.29Å; F293-Y312 HydrophobicContact CD2-CD1 4.25Å; F293-Y312 AromaticContact CD2-CE1 3.87Å; F293-Y312 HydrophobicContact CD2-CE1 3.87Å; F293-Y312 AromaticContact CE2-CE1 3.98Å; F293-Y312 HydrophobicContact CE2-CE1 3.98Å; F293-Y312 HydrophobicContact CG-CE1 4.31Å; F293-F338 HydrophobicContact CE2-CB 4.46Å; F293-L339 HydrophobicContact CD2-CD2 3.65Å; F293-L339 HydrophobicContact CD2-CG 4.28Å; F293-L339 HydrophobicContact CE2-CD2 4.38Å
294	K	95.1	Very high	92.4	Very high	32 Å²	32	19.8 Å²	19.8	14%	0.139	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-41	177.8	-65.9	-178	178.4	175.4	0	112.2	W164 R290 Y291 G296 F297 F298	W164-K294 HydrophobicContact CD2-CG 4.37Å; W164-K294 HydrophobicContact CE3-CG 4.48Å; W164-K294 HydrophobicContact CH2-CB 3.89Å; W164-K294 HydrophobicContact CH2-CD 4.4Å; W164-K294 HydrophobicContact CH2-CG 3.59Å; W164-K294 HydrophobicContact CZ2-CB 3.9Å; W164-K294 HydrophobicContact CZ2-CD 3.74Å; W164-K294 HydrophobicContact CZ2-CG 3.42Å; W164-K294 VanDerWaalsContact CZ2-CG 3.42Å; W164-K294 HydrophobicContact CZ3-CG 4.12Å; R290-K294 HydrophobicContact CG-CD 4.45Å; R290-K294 VanDerWaalsContact O-CG 3.31Å; R290-K294 WeakPolarHBondContact O-CG 3.24Å; R290-K294 PolarHBondContact O-N 2.82Å; Y291-K294 HydrophobicContact CD1-CD 4.14Å; Y291-K294 PolarHBondContact O-N 2.87Å; K294-G296 VanDerWaalsContact C-N 3.33Å; K294-G296 PolarHBondContact O-N 3.08Å; K294-F297 PolarHBondContact O-N 2.98Å; K294-F298 HydrophobicContact CB-CE2 4.32Å; K294-F298 WeakPolarHBondContact O-CD2 3.41Å; K294-F298 WeakPolarHBondContact O-CG 3.39Å; K294-F298 PolarHBondContact O-N 3.24Å
295	Q	95.6	Very high	92.7	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-44	173.8	-72.5	173.1	-36.4	0	0	111.6	L269 A272 K273 K276 Y291 S292 F293 S299 Y311	L269-Q295 HydrophobicContact CD1-CB 3.88Å; L269-Q295 HydrophobicContact CD1-CG 4.02Å; L269-Q295 WeakPolarHBondContact CD1-O 3.47Å; A272-Q295 HydrophobicContact CB-CG 4.1Å; K273-Q295 VanDerWaalsContact CA-NE2 3.32Å; K273-Q295 HydrophobicContact CG-CG 4.43Å; K276-Q295 VanDerWaalsContact CD-OE1 3.23Å; Y291-Q295 VanDerWaalsContact O-CG 3.28Å; Y291-Q295 WeakPolarHBondContact O-CG 3.28Å; Y291-Q295 PolarHBondContact O-N 3.36Å; S292-Q295 PolarHBondContact O-N 2.92Å; F293-Q295 VanDerWaalsContact C-N 3.35Å; F293-Q295 PolarHBondContact O-N 2.92Å; Q295-S299 WeakPolarHBondContact O-CB 3.45Å; Q295-S299 PolarHBondContact O-N 2.91Å; Q295-S299 PolarHBondContact O-OG 3.23Å; Q295-Y311 HydrophobicContact CB-CD1 3.92Å; Q295-Y311 HydrophobicContact CB-CD2 3.94Å; Q295-Y311 HydrophobicContact CB-CE1 4.39Å; Q295-Y311 HydrophobicContact CB-CE2 4.42Å; Q295-Y311 HydrophobicContact CB-CG 3.69Å
296	G	95.3	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-47.2	174.3	0	0	0	0	0	112.4	S292 F293 K294 S299 E300 A308 Y312	S292-G296 PolarHBondContact O-N 3.49Å; S292-G296 VanDerWaalsContact O-N 3.09Å; F293-G296 PolarHBondContact O-N 3.35Å; K294-G296 VanDerWaalsContact C-N 3.33Å; K294-G296 PolarHBondContact O-N 3.08Å; G296-S299 WeakPolarHBondContact O-CB 3.42Å; G296-S299 PolarHBondContact O-N 2.81Å; G296-E300 PolarHBondContact O-N 3.39Å; G296-A308 WeakPolarHBondContact O-CB 3.43Å; G296-Y312 VanDerWaalsContact C-CZ 3.45Å
297	F	95	Very high	93.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-41.8	-178.3	-168.8	-94	0	0	0	113	T85 W164 M165 H168 L169 F293 K294 S299 E300 L301 Y312	T85-F297 HydrophobicContact CG2-CE2 3.98Å; T85-F297 HydrophobicContact CG2-CZ 4.32Å; W164-F297 HydrophobicContact CH2-CB 4Å; W164-F297 AromaticContact CH2-CD1 3.65Å; W164-F297 HydrophobicContact CH2-CD1 3.65Å; W164-F297 HydrophobicContact CH2-CE1 4.41Å; W164-F297 HydrophobicContact CH2-CG 4.01Å; W164-F297 HydrophobicContact CZ3-CB 4.07Å; W164-F297 AromaticContact CZ3-CD1 3.75Å; W164-F297 HydrophobicContact CZ3-CD1 3.75Å; W164-F297 HydrophobicContact CZ3-CE1 4.29Å; W164-F297 AromaticContact CZ3-CG 3.86Å; W164-F297 HydrophobicContact CZ3-CG 3.86Å; M165-F297 HydrophobicContact CB-CE2 4.49Å; M165-F297 HydrophobicContact CB-CZ 4.32Å; M165-F297 HydrophobicContact CG-CE2 4.16Å; M165-F297 HydrophobicContact CG-CZ 4.37Å; M165-F297 HydrophobicContact SD-CE2 4.25Å; H168-F297 HydrophobicContact CB-CE1 4.31Å; L169-F297 HydrophobicContact CD1-CZ 3.98Å; L169-F297 HydrophobicContact CD2-CZ 4.04Å; L169-F297 HydrophobicContact CG-CZ 3.87Å; F293-F297 HydrophobicContact CE1-CB 4.46Å; F293-F297 PolarHBondContact O-N 3.29Å; K294-F297 PolarHBondContact O-N 2.98Å; F297-S299 VanDerWaalsContact C-N 3.32Å; F297-E300 WeakPolarHBondContact O-CB 3.39Å; F297-E300 PolarHBondContact O-N 3.35Å; F297-L301 HydrophobicContact CD1-CD1 3.79Å; F297-L301 HydrophobicContact CE1-CD1 3.63Å; F297-L301 HydrophobicContact CE1-CG 4.41Å; F297-L301 PolarHBondContact O-N 3.47Å; F297-L301 VanDerWaalsContact O-N 3.11Å; F297-Y312 WeakPolarHBondContact CA-OH 3.46Å; F297-Y312 PolarHBondContact N-OH 2.69Å; F297-Y312 VanDerWaalsContact N-OH 3.09Å
298	F	94.9	Very high	93.5	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.022	10%	0.103	C	C	.	.	H	α-helix	trans	-68.2	-32.9	174	-68.3	-46.2	0	0	0	112.5	W164 H168 Y265 E268 L269 A272 K294 E300 L301 C302	W164-F298 HydrophobicContact CH2-CE1 4.47Å; W164-F298 HydrophobicContact CH2-CZ 4.25Å; W164-F298 HydrophobicContact CZ2-CE1 4.22Å; W164-F298 HydrophobicContact CZ2-CE2 4.05Å; W164-F298 AromaticContact CZ2-CZ 3.66Å; W164-F298 HydrophobicContact CZ2-CZ 3.66Å; H168-F298 AromaticContact CE1-CE1 3.8Å; H168-F298 AromaticContact CE1-CZ 3.71Å; H168-F298 AromaticContact ND1-CE1 3.75Å; H168-F298 AromaticContact NE2-CZ 3.86Å; Y265-F298 AromaticContact CD1-CD1 3.99Å; Y265-F298 HydrophobicContact CD1-CD1 3.99Å; Y265-F298 HydrophobicContact CD1-CE1 4.35Å; E268-F298 HydrophobicContact CB-CD1 4.28Å; E268-F298 HydrophobicContact CB-CD2 4.24Å; E268-F298 HydrophobicContact CB-CE1 4.05Å; E268-F298 HydrophobicContact CB-CE2 3.99Å; E268-F298 HydrophobicContact CB-CG 4.38Å; E268-F298 HydrophobicContact CB-CZ 3.89Å; L269-F298 HydrophobicContact CB-CB 4.16Å; L269-F298 HydrophobicContact CD1-CB 4.3Å; A272-F298 HydrophobicContact CB-CD2 4.35Å; A272-F298 HydrophobicContact CB-CE2 4.37Å; K294-F298 HydrophobicContact CB-CE2 4.32Å; K294-F298 WeakPolarHBondContact O-CD2 3.41Å; K294-F298 WeakPolarHBondContact O-CG 3.39Å; K294-F298 PolarHBondContact O-N 3.24Å; F298-E300 VanDerWaalsContact C-N 3.35Å; F298-L301 HydrophobicContact CD1-CD1 4.07Å; F298-L301 PolarHBondContact O-N 3.49Å; F298-C302 PolarHBondContact O-N 2.96Å; F298-C302 PolarHBondContact O-SG 3.28Å
299	S	94.4	Very high	93.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-36.8	174.3	-54.8	0	0	0	0	111.6	Q295 G296 F297 C302 Q303 D304 Y311	Q295-S299 WeakPolarHBondContact O-CB 3.45Å; Q295-S299 PolarHBondContact O-N 2.91Å; Q295-S299 PolarHBondContact O-OG 3.23Å; G296-S299 WeakPolarHBondContact O-CB 3.42Å; G296-S299 PolarHBondContact O-N 2.81Å; F297-S299 VanDerWaalsContact C-N 3.32Å; S299-C302 CarbonylContact O-C 3.49Å; S299-C302 PolarHBondContact O-N 3.18Å; S299-Q303 PolarHBondContact O-N 2.97Å; S299-D304 PolarHBondContact O-N 3.22Å; S299-Y311 VanDerWaalsContact OG-CD2 3.27Å; S299-Y311 WeakPolarHBondContact OG-CD2 3.36Å; S299-Y311 WeakPolarHBondContact OG-CE2 3.33Å
300	E	92.8	Very high	93.9	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.047	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-45.5	169.9	-74	-166.7	-128	0	0	111.8	T85 G296 F297 F298 C302 Q303 A308 Y312 K342	T85-E300 HydrophobicContact CG2-CB 4.32Å; T85-E300 WeakPolarHBondContact CG2-OE2 3.35Å; T85-E300 PolarHBondContact OG1-OE2 3.31Å; G296-E300 PolarHBondContact O-N 3.39Å; F297-E300 WeakPolarHBondContact O-CB 3.39Å; F297-E300 PolarHBondContact O-N 3.35Å; F298-E300 VanDerWaalsContact C-N 3.35Å; E300-C302 VanDerWaalsContact C-N 3.25Å; E300-C302 PolarHBondContact O-N 3.39Å; E300-Q303 WeakPolarHBondContact O-CA 3.16Å; E300-Q303 PolarHBondContact O-N 3.32Å; E300-Q303 PolarHBondContact O-NE2 3.28Å; E300-Q303 VanDerWaalsContact O-NE2 3.17Å; E300-A308 HydrophobicContact CG-CB 3.72Å; E300-Y312 HydrophobicContact CG-CE2 4.09Å; E300-Y312 WeakPolarHBondContact OE1-CE2 3.21Å; E300-Y312 PolarHBondContact OE1-OH 3.04Å; E300-K342 VanDerWaalsContact CD-NZ 3.33Å; E300-K342 WeakPolarHBondContact OE1-CD 3.47Å; E300-K342 WeakPolarHBondContact OE1-CE 3.47Å; E300-K342 IonicContact OE1-NZ 2.7Å; E300-K342 PolarHBondContact OE1-NZ 3.45Å; E300-K342 IonicContact OE2-NZ 3.8Å; E300-K342 PolarHBondContact OE2-NZ 3.3Å
301	L	91.9	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-33.4	176.6	-74	163.5	0	0	0	112.1	L86 Q87 L169 Y265 F297 F298 Q303	L86-L301 WeakPolarHBondContact O-CD2 3.43Å; Q87-L301 VanDerWaalsContact CG-O 3.32Å; Q87-L301 WeakPolarHBondContact CG-O 3.39Å; Q87-L301 PolarHBondContact NE2-O 2.85Å; L169-L301 HydrophobicContact CD2-CD2 4.27Å; Y265-L301 HydrophobicContact CD1-CB 4.19Å; Y265-L301 HydrophobicContact CD1-CD1 3.9Å; Y265-L301 HydrophobicContact CD2-CB 4.03Å; Y265-L301 HydrophobicContact CE1-CB 4.42Å; Y265-L301 HydrophobicContact CE1-CD1 3.61Å; Y265-L301 HydrophobicContact CE1-CG 4.45Å; Y265-L301 HydrophobicContact CE2-CB 4.26Å; Y265-L301 HydrophobicContact CE2-CD2 4.44Å; Y265-L301 HydrophobicContact CG-CB 3.99Å; F297-L301 HydrophobicContact CD1-CD1 3.79Å; F297-L301 HydrophobicContact CE1-CD1 3.63Å; F297-L301 HydrophobicContact CE1-CG 4.41Å; F297-L301 PolarHBondContact O-N 3.47Å; F297-L301 VanDerWaalsContact O-N 3.11Å; F298-L301 HydrophobicContact CD1-CD1 4.07Å; F298-L301 PolarHBondContact O-N 3.49Å; L301-Q303 PolarHBondContact O-N 3.06Å
302	C	91.6	Very high	94.3	Very high	14 Å²	14	26.3 Å²	26.3	10%	0.095	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.6	171.3	-61.4	0	0	0	0	113.6	Q262 Y265 F298 S299 E300 D304	Q262-C302 VanDerWaalsContact NE2-C 3.31Å; Q262-C302 PolarHBondContact NE2-O 3.34Å; Q262-C302 PolarHBondContact OE1-O 3.26Å; Y265-C302 VanDerWaalsContact CB-SG 3.51Å; F298-C302 PolarHBondContact O-N 2.96Å; F298-C302 PolarHBondContact O-SG 3.28Å; S299-C302 CarbonylContact O-C 3.49Å; S299-C302 PolarHBondContact O-N 3.18Å; E300-C302 VanDerWaalsContact C-N 3.25Å; E300-C302 PolarHBondContact O-N 3.39Å; C302-D304 PolarHBondContact O-N 3.08Å
303	Q	89.5	Confident	94.3	Very high	82 Å²	82	30.3 Å²	30.3	38%	0.383	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	31.4	-175.8	-52.1	-57.2	-51.3	0	0	113.5	T85 P119 F258 S299 E300 L301 P305	T85-Q303 PolarHBondContact O-NE2 2.87Å; P119-Q303 HydrophobicContact CG-CG 3.52Å; P119-Q303 VanDerWaalsContact CG-NE2 3.33Å; F258-Q303 HydrophobicContact CE2-CG 4.15Å; F258-Q303 HydrophobicContact CZ-CG 4.22Å; S299-Q303 PolarHBondContact O-N 2.97Å; E300-Q303 WeakPolarHBondContact O-CA 3.16Å; E300-Q303 PolarHBondContact O-N 3.32Å; E300-Q303 PolarHBondContact O-NE2 3.28Å; E300-Q303 VanDerWaalsContact O-NE2 3.17Å; L301-Q303 PolarHBondContact O-N 3.06Å; Q303-P305 VanDerWaalsContact C-CD 3.48Å; Q303-P305 WeakPolarHBondContact O-CD 3.49Å
304	D	92.1	Very high	94.3	Very high	67 Å²	67	33 Å²	33	36%	0.358	16%	0.157	S	C	.	.			trans	-103.8	84.9	170.5	176.3	14.3	0	0	0	109.4	S299 C302 L306 G307 A308	S299-D304 PolarHBondContact O-N 3.22Å; C302-D304 PolarHBondContact O-N 3.08Å; D304-L306 VanDerWaalsContact C-N 3.32Å; D304-L306 PolarHBondContact O-N 2.94Å; D304-L306 PolarHBondContact OD1-N 2.93Å; D304-G307 PolarHBondContact OD1-N 2.94Å; D304-G307 WeakPolarHBondContact OD2-CA 3.02Å; D304-A308 VanDerWaalsContact O-CB 3.29Å; D304-A308 WeakPolarHBondContact O-CB 3.45Å; D304-A308 PolarHBondContact O-N 2.95Å
305	P	91.1	Very high	94.3	Very high	42 Å²	42	31.5 Å²	31.5	27%	0.273	15%	0.15	S	C	.	.	H	α-helix	trans	-71.9	-26.8	-175.7	32.2	-39	0	0	0	112.6	Q303 L309 L346 H350	Q303-P305 VanDerWaalsContact C-CD 3.48Å; Q303-P305 WeakPolarHBondContact O-CD 3.49Å; P305-L309 VanDerWaalsContact O-CB 3.29Å; P305-L309 WeakPolarHBondContact O-CB 3.44Å; P305-L309 PolarHBondContact O-N 3.22Å; P305-L346 HydrophobicContact CB-CD2 3.89Å; P305-H350 VanDerWaalsContact CB-NE2 3.26Å; P305-H350 WeakPolarHBondContact CB-NE2 3.11Å; P305-H350 VanDerWaalsContact CG-NE2 3.27Å; P305-H350 WeakPolarHBondContact CG-NE2 3.43Å
306	L	93.9	Very high	94.3	Very high	107 Å²	107	31.5 Å²	31.5	56%	0.56	15%	0.15	S	C	*	.	H	α-helix	trans	-72.5	-45.7	176.9	-66.4	178.5	0	0	0	111	D304 L309 R310	D304-L306 VanDerWaalsContact C-N 3.32Å; D304-L306 PolarHBondContact O-N 2.94Å; D304-L306 PolarHBondContact OD1-N 2.93Å; L306-L309 PolarHBondContact O-N 2.94Å; L306-R310 PolarHBondContact O-N 3.01Å
307	G	94.4	Very high	94.2	Very high	5 Å²	5	37 Å²	37	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-45.3	172	0	0	0	0	0	111.6	D304 L309 R310 Y311	D304-G307 PolarHBondContact OD1-N 2.94Å; D304-G307 WeakPolarHBondContact OD2-CA 3.02Å; G307-L309 PolarHBondContact O-N 3.43Å; G307-R310 PolarHBondContact O-N 3.32Å; G307-Y311 WeakPolarHBondContact O-CD2 3.26Å; G307-Y311 PolarHBondContact O-N 3.13Å
308	A	95.4	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-49.3	175.7	0	0	0	0	0	112.1	G296 E300 D304 R310 Y311 Y312 L346	G296-A308 WeakPolarHBondContact O-CB 3.43Å; E300-A308 HydrophobicContact CG-CB 3.72Å; D304-A308 VanDerWaalsContact O-CB 3.29Å; D304-A308 WeakPolarHBondContact O-CB 3.45Å; D304-A308 PolarHBondContact O-N 2.95Å; A308-R310 VanDerWaalsContact C-N 3.32Å; A308-R310 PolarHBondContact O-N 3.06Å; A308-Y311 PolarHBondContact O-N 3.03Å; A308-Y312 HydrophobicContact CB-CD2 4.42Å; A308-Y312 HydrophobicContact CB-CE2 4.19Å; A308-Y312 WeakPolarHBondContact O-CD2 3.47Å; A308-Y312 PolarHBondContact O-N 3.33Å; A308-L346 HydrophobicContact CB-CD1 3.86Å
309	L	95.9	Very high	93.9	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-43.3	178.2	-178.9	62.2	0	0	0	111.8	P305 L306 G307 Y312 K313 I343 L346	P305-L309 VanDerWaalsContact O-CB 3.29Å; P305-L309 WeakPolarHBondContact O-CB 3.44Å; P305-L309 PolarHBondContact O-N 3.22Å; L306-L309 PolarHBondContact O-N 2.94Å; G307-L309 PolarHBondContact O-N 3.43Å; L309-Y312 PolarHBondContact O-N 3.28Å; L309-K313 HydrophobicContact CD1-CD 4.46Å; L309-K313 HydrophobicContact CD1-CG 4.36Å; L309-K313 HydrophobicContact CG-CD 4.39Å; L309-K313 WeakPolarHBondContact O-CB 3.34Å; L309-K313 WeakPolarHBondContact O-CG 3.1Å; L309-K313 PolarHBondContact O-N 3.22Å; L309-I343 HydrophobicContact CD1-CB 4.28Å; L309-I343 HydrophobicContact CD1-CG1 4.32Å; L309-I343 HydrophobicContact CD1-CG2 3.88Å; L309-L346 HydrophobicContact CB-CB 4.47Å; L309-L346 HydrophobicContact CB-CD1 4.13Å; L309-L346 HydrophobicContact CD1-CB 4.2Å
310	R	96.3	Very high	93.7	Very high	150 Å²	150	38.7 Å²	38.7	57%	0.566	19%	0.185	S	C	*	.	H	α-helix	trans	-60.9	-48	177.3	-177.5	179.5	62.5	-171.4	-4.3	111.7	L306 G307 A308 K313 Q314	L306-R310 PolarHBondContact O-N 3.01Å; G307-R310 PolarHBondContact O-N 3.32Å; A308-R310 VanDerWaalsContact C-N 3.32Å; A308-R310 PolarHBondContact O-N 3.06Å; R310-K313 PolarHBondContact O-N 3.5Å; R310-Q314 WeakPolarHBondContact O-CB 3.34Å; R310-Q314 PolarHBondContact O-N 2.82Å
311	Y	97	Very high	93.5	Very high	17 Å²	17	41.9 Å²	41.9	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-35.6	-179.7	-62.3	-56	0	0	0	112.5	L269 K273 Q295 S299 G307 A308 Q314 A315	L269-Y311 HydrophobicContact CD1-CE2 4.39Å; K273-Y311 WeakPolarHBondContact CE-OH 3.46Å; K273-Y311 PolarHBondContact NZ-OH 2.89Å; K273-Y311 VanDerWaalsContact NZ-OH 3.16Å; Q295-Y311 HydrophobicContact CB-CD1 3.92Å; Q295-Y311 HydrophobicContact CB-CD2 3.94Å; Q295-Y311 HydrophobicContact CB-CE1 4.39Å; Q295-Y311 HydrophobicContact CB-CE2 4.42Å; Q295-Y311 HydrophobicContact CB-CG 3.69Å; S299-Y311 VanDerWaalsContact OG-CD2 3.27Å; S299-Y311 WeakPolarHBondContact OG-CD2 3.36Å; S299-Y311 WeakPolarHBondContact OG-CE2 3.33Å; G307-Y311 WeakPolarHBondContact O-CD2 3.26Å; G307-Y311 PolarHBondContact O-N 3.13Å; A308-Y311 PolarHBondContact O-N 3.03Å; Y311-Q314 PolarHBondContact O-N 3.12Å; Y311-A315 WeakPolarHBondContact O-CB 3.38Å; Y311-A315 PolarHBondContact O-N 3.21Å
312	Y	97.2	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-42.5	174.1	-69.7	-47.8	0	0	0	112.7	F293 G296 F297 E300 A308 L309 Q314 A315 Y316 L339 K342 L346	F293-Y312 HydrophobicContact CD2-CD1 4.25Å; F293-Y312 AromaticContact CD2-CE1 3.87Å; F293-Y312 HydrophobicContact CD2-CE1 3.87Å; F293-Y312 AromaticContact CE2-CE1 3.98Å; F293-Y312 HydrophobicContact CE2-CE1 3.98Å; F293-Y312 HydrophobicContact CG-CE1 4.31Å; G296-Y312 VanDerWaalsContact C-CZ 3.45Å; F297-Y312 WeakPolarHBondContact CA-OH 3.46Å; F297-Y312 PolarHBondContact N-OH 2.69Å; F297-Y312 VanDerWaalsContact N-OH 3.09Å; E300-Y312 HydrophobicContact CG-CE2 4.09Å; E300-Y312 WeakPolarHBondContact OE1-CE2 3.21Å; E300-Y312 PolarHBondContact OE1-OH 3.04Å; A308-Y312 HydrophobicContact CB-CD2 4.42Å; A308-Y312 HydrophobicContact CB-CE2 4.19Å; A308-Y312 WeakPolarHBondContact O-CD2 3.47Å; A308-Y312 PolarHBondContact O-N 3.33Å; L309-Y312 PolarHBondContact O-N 3.28Å; Y312-Q314 VanDerWaalsContact C-N 3.29Å; Y312-Q314 PolarHBondContact O-N 3.02Å; Y312-A315 PolarHBondContact O-N 2.87Å; Y312-Y316 WeakPolarHBondContact O-CB 3.46Å; Y312-Y316 PolarHBondContact O-N 3.43Å; Y312-L339 HydrophobicContact CD1-CD2 3.64Å; Y312-L339 HydrophobicContact CE1-CD2 4.47Å; Y312-L339 HydrophobicContact CG-CD2 4.37Å; Y312-K342 HydrophobicContact CD2-CB 3.89Å; Y312-K342 HydrophobicContact CE1-CB 4.49Å; Y312-K342 HydrophobicContact CE1-CG 4.49Å; Y312-K342 HydrophobicContact CE2-CB 3.83Å; Y312-K342 HydrophobicContact CE2-CG 4.19Å; Y312-K342 HydrophobicContact CG-CB 4.26Å; Y312-L346 HydrophobicContact CD2-CD1 3.78Å; Y312-L346 HydrophobicContact CE2-CD1 4.01Å
313	K	95.9	Very high	92.7	Very high	84 Å²	84	49.4 Å²	49.4	37%	0.365	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-41.4	173.2	-76.8	-175.5	176.5	-173.6	0	111.3	L309 R310 Y316 Q317 I343	L309-K313 HydrophobicContact CD1-CD 4.46Å; L309-K313 HydrophobicContact CD1-CG 4.36Å; L309-K313 HydrophobicContact CG-CD 4.39Å; L309-K313 WeakPolarHBondContact O-CB 3.34Å; L309-K313 WeakPolarHBondContact O-CG 3.1Å; L309-K313 PolarHBondContact O-N 3.22Å; R310-K313 PolarHBondContact O-N 3.5Å; K313-Y316 PolarHBondContact O-N 3.47Å; K313-Q317 PolarHBondContact O-N 3.05Å; K313-I343 HydrophobicContact CG-CD1 4.17Å; K313-I343 HydrophobicContact CG-CG1 4.37Å; K313-I343 HydrophobicContact CG-CG2 4.45Å
314	Q	94.9	Very high	91.8	Very high	58 Å²	58	47.6 Å²	47.6	27%	0.271	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-48.9	174.3	-172.5	-178.9	16.8	0	0	111.3	K276 Y288 R310 Y311 Y312 Y316 Q317 M318	K276-Q314 VanDerWaalsContact NZ-NE2 3.18Å; Y288-Q314 PolarHBondContact OH-NE2 3.09Å; R310-Q314 WeakPolarHBondContact O-CB 3.34Å; R310-Q314 PolarHBondContact O-N 2.82Å; Y311-Q314 PolarHBondContact O-N 3.12Å; Y312-Q314 VanDerWaalsContact C-N 3.29Å; Y312-Q314 PolarHBondContact O-N 3.02Å; Q314-Y316 PolarHBondContact O-N 3.5Å; Q314-Q317 PolarHBondContact O-N 2.95Å; Q314-M318 VanDerWaalsContact O-CG 3.3Å; Q314-M318 WeakPolarHBondContact O-CG 3.42Å; Q314-M318 PolarHBondContact O-N 2.94Å
315	A	95.3	Very high	90.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-40.2	177	0	0	0	0	0	111.8	Y311 Y312 M318 L319 L339	Y311-A315 WeakPolarHBondContact O-CB 3.38Å; Y311-A315 PolarHBondContact O-N 3.21Å; Y312-A315 PolarHBondContact O-N 2.87Å; A315-M318 PolarHBondContact O-N 3.09Å; A315-L319 WeakPolarHBondContact O-CB 3.49Å; A315-L319 PolarHBondContact O-N 2.83Å; A315-L339 HydrophobicContact CB-CD1 4.02Å; A315-L339 HydrophobicContact CB-CD2 3.64Å
316	Y	95.2	Very high	89.3	Confident	8 Å²	8	49.2 Å²	49.2	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-47	178.1	-174	-96.4	0	0	0	111.9	Y312 K313 Q314 M318 L319 L320 L339 I343 H359 H363	Y312-Y316 WeakPolarHBondContact O-CB 3.46Å; Y312-Y316 PolarHBondContact O-N 3.43Å; K313-Y316 PolarHBondContact O-N 3.47Å; Q314-Y316 PolarHBondContact O-N 3.5Å; Y316-M318 VanDerWaalsContact C-N 3.32Å; Y316-M318 PolarHBondContact O-N 3.49Å; Y316-L319 WeakPolarHBondContact O-CB 3.4Å; Y316-L319 PolarHBondContact O-N 2.98Å; Y316-L319 VanDerWaalsContact O-N 3.14Å; Y316-L320 HydrophobicContact CD1-CD1 4.15Å; Y316-L320 HydrophobicContact CD1-CG 4.37Å; Y316-L320 HydrophobicContact CE1-CD1 3.63Å; Y316-L320 HydrophobicContact CE1-CD2 4.16Å; Y316-L320 HydrophobicContact CE1-CG 4.03Å; Y316-L320 WeakPolarHBondContact O-CG 3.29Å; Y316-L320 PolarHBondContact O-N 3.45Å; Y316-L320 VanDerWaalsContact O-N 3.14Å; Y316-L339 HydrophobicContact CD2-CB 4.04Å; Y316-L339 HydrophobicContact CD2-CD1 4.43Å; Y316-I343 HydrophobicContact CG-CD1 4.47Å; Y316-H359 AromaticContact CD1-CE1 3.52Å; Y316-H359 AromaticContact CE1-CE1 3.72Å; Y316-H359 AromaticContact CG-CE1 3.75Å; Y316-H363 HydrophobicContact CE2-CB 4.47Å; Y316-H363 AromaticContact CE2-ND1 3.53Å; Y316-H363 AromaticContact CZ-ND1 3.73Å; Y316-H363 WeakPolarHBondContact OH-CA 3.22Å; Y316-H363 VanDerWaalsContact OH-CB 3.3Å; Y316-H363 WeakPolarHBondContact OH-CB 3.1Å; Y316-H363 PolarHBondContact OH-ND1 2.99Å
317	Q	94.1	Very high	87.7	Confident	114 Å²	114	50.6 Å²	50.6	53%	0.533	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-43.5	177.3	-174.6	179.4	-6.8	0	0	111.7	K313 Q314 L319 L320 E321	K313-Q317 PolarHBondContact O-N 3.05Å; Q314-Q317 PolarHBondContact O-N 2.95Å; Q317-L319 VanDerWaalsContact C-N 3.3Å; Q317-L319 PolarHBondContact O-N 3.26Å; Q317-L320 PolarHBondContact O-N 3.33Å; Q317-E321 PolarHBondContact O-N 3.22Å
318	M	91.1	Very high	86.6	Confident	9 Å²	9	50.5 Å²	50.5	4%	0.044	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-31.3	178	-57	-57.6	88.2	0	0	112.2	R281 Y288 V289 Q314 A315 Y316 L320 E321	R281-M318 HydrophobicContact CG-SD 4.33Å; R281-M318 VanDerWaalsContact CZ-SD 3.53Å; R281-M318 PolarHBondContact NE-SD 3.42Å; Y288-M318 HydrophobicContact CD1-CB 4.27Å; Y288-M318 HydrophobicContact CD1-CG 3.65Å; Y288-M318 HydrophobicContact CD1-SD 4.27Å; Y288-M318 HydrophobicContact CE1-CG 3.68Å; Y288-M318 HydrophobicContact CE1-SD 3.98Å; V289-M318 HydrophobicContact CG2-CB 3.85Å; Q314-M318 VanDerWaalsContact O-CG 3.3Å; Q314-M318 WeakPolarHBondContact O-CG 3.42Å; Q314-M318 PolarHBondContact O-N 2.94Å; A315-M318 PolarHBondContact O-N 3.09Å; Y316-M318 VanDerWaalsContact C-N 3.32Å; Y316-M318 PolarHBondContact O-N 3.49Å; M318-L320 VanDerWaalsContact C-N 3.27Å; M318-L320 PolarHBondContact O-N 2.73Å; M318-E321 WeakPolarHBondContact CE-OE1 3.45Å; M318-E321 WeakPolarHBondContact O-CB 3.4Å; M318-E321 PolarHBondContact O-N 3.33Å
319	L	91.8	Very high	85.7	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-34	175.2	-177.4	147.9	0	0	0	111.6	V289 A315 Y316 Q317 E321 I322 L332 I335 L339 F367	V289-L319 HydrophobicContact CG1-CB 4.24Å; V289-L319 HydrophobicContact CG1-CD1 4.2Å; V289-L319 HydrophobicContact CG2-CB 4.05Å; A315-L319 WeakPolarHBondContact O-CB 3.49Å; A315-L319 PolarHBondContact O-N 2.83Å; Y316-L319 WeakPolarHBondContact O-CB 3.4Å; Y316-L319 PolarHBondContact O-N 2.98Å; Y316-L319 VanDerWaalsContact O-N 3.14Å; Q317-L319 VanDerWaalsContact C-N 3.3Å; Q317-L319 PolarHBondContact O-N 3.26Å; L319-E321 VanDerWaalsContact C-N 3.28Å; L319-E321 PolarHBondContact O-N 3.29Å; L319-I322 PolarHBondContact O-N 3.5Å; L319-L332 HydrophobicContact CD1-CD2 4.48Å; L319-L332 HydrophobicContact CG-CD2 4.05Å; L319-I335 HydrophobicContact CD1-CB 3.79Å; L319-I335 HydrophobicContact CD1-CG2 3.5Å; L319-L339 HydrophobicContact CD1-CD1 4.06Å; L319-F367 HydrophobicContact CD2-CE2 4.31Å; L319-F367 HydrophobicContact CD2-CZ 3.65Å
320	L	90.7	Very high	84.8	Confident	31 Å²	31	51 Å²	51	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-72.6	-19.3	175.3	-57.8	-176.8	0	0	0	113.6	Y316 Q317 M318 I322 Y366 F367	Y316-L320 HydrophobicContact CD1-CD1 4.15Å; Y316-L320 HydrophobicContact CD1-CG 4.37Å; Y316-L320 HydrophobicContact CE1-CD1 3.63Å; Y316-L320 HydrophobicContact CE1-CD2 4.16Å; Y316-L320 HydrophobicContact CE1-CG 4.03Å; Y316-L320 WeakPolarHBondContact O-CG 3.29Å; Y316-L320 PolarHBondContact O-N 3.45Å; Y316-L320 VanDerWaalsContact O-N 3.14Å; Q317-L320 PolarHBondContact O-N 3.33Å; M318-L320 VanDerWaalsContact C-N 3.27Å; M318-L320 PolarHBondContact O-N 2.73Å; L320-I322 VanDerWaalsContact C-N 3.32Å; L320-Y366 HydrophobicContact CB-CE2 4.19Å; L320-Y366 HydrophobicContact CD2-CD1 3.49Å; L320-Y366 VanDerWaalsContact CD2-CD1 3.49Å; L320-Y366 HydrophobicContact CD2-CD2 4.08Å; L320-Y366 HydrophobicContact CD2-CE1 3.38Å; L320-Y366 HydrophobicContact CD2-CE2 3.97Å; L320-Y366 HydrophobicContact CD2-CG 3.83Å; L320-Y366 HydrophobicContact CG-CE2 4.45Å; L320-Y366 PolarHBondContact O-OH 3.42Å; L320-F367 HydrophobicContact CD2-CE2 4.09Å; L320-F367 HydrophobicContact CD2-CZ 4.31Å
321	E	89.2	Confident	84.1	Confident	77 Å²	77	44 Å²	44	36%	0.36	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.6	174.8	-67.6	173.3	-168.7	0	0	112.3	R281 Q285 Q317 M318 L319 E323	R281-E321 IonicContact CZ-OE1 3.58Å; R281-E321 IonicContact CZ-OE2 3.98Å; R281-E321 IonicContact NE-OE2 3.16Å; R281-E321 PolarHBondContact NE-OE2 2.94Å; R281-E321 IonicContact NH2-OE1 2.81Å; R281-E321 PolarHBondContact NH2-OE1 3.21Å; R281-E321 IonicContact NH2-OE2 3.18Å; R281-E321 PolarHBondContact NH2-OE2 2.92Å; Q285-E321 PolarHBondContact NE2-O 3.01Å; Q285-E321 VanDerWaalsContact NE2-O 3.11Å; Q317-E321 PolarHBondContact O-N 3.22Å; M318-E321 WeakPolarHBondContact CE-OE1 3.45Å; M318-E321 WeakPolarHBondContact O-CB 3.4Å; M318-E321 PolarHBondContact O-N 3.33Å; L319-E321 VanDerWaalsContact C-N 3.28Å; L319-E321 PolarHBondContact O-N 3.29Å; E321-E323 PolarHBondContact O-N 3.4Å
322	I	87.3	Confident	83.6	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.215	C	C	.	.	S	Bend	trans	-73.6	117.1	174.9	-60.7	172.4	0	0	0	108.2	I159 Q285 R286 V289 L319 L320 L332	I159-I322 HydrophobicContact CD1-CD1 4.39Å; Q285-I322 HydrophobicContact CB-CD1 4.25Å; Q285-I322 HydrophobicContact CB-CG1 3.71Å; R286-I322 HydrophobicContact CG-CD1 4.25Å; V289-I322 HydrophobicContact CG2-CD1 3.85Å; L319-I322 PolarHBondContact O-N 3.5Å; L320-I322 VanDerWaalsContact C-N 3.32Å; I322-L332 HydrophobicContact CB-CD1 4.42Å; I322-L332 HydrophobicContact CB-CD2 4.01Å; I322-L332 HydrophobicContact CD1-CD2 3.84Å; I322-L332 HydrophobicContact CG2-CD1 4Å; I322-L332 HydrophobicContact CG2-CD2 3.94Å
323	E	79.5	Confident	82.9	Confident	166 Å²	166	43.6 Å²	43.6	78%	0.776	22%	0.215	S	C	*	.			trans	-62.3	124.6	170.3	-168.6	172.1	-175	0	0	108.8	E321 A325	E321-E323 PolarHBondContact O-N 3.4Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.23Å
324	P	69.1	Low	82.3	Confident	45 Å²	45	40 Å²	40	29%	0.292	20%	0.2	S	C	.	.			trans	-71.7	90.1	-176.4	30.2	-35	0	0	0	109.7	E326 V329 L332 K370	P324-E326 PolarHBondContact O-N 3.07Å; P324-V329 HydrophobicContact CB-CG2 3.89Å; P324-L332 HydrophobicContact CB-CD1 4.04Å; P324-K370 HydrophobicContact CG-CD 4.32Å
325	A	67.7	Low	82	Confident	37 Å²	37	37.3 Å²	37.3	31%	0.306	19%	0.188	S	C	.	.			trans	-55.3	138.1	163.9	0	0	0	0	0	108.8	E323 H327 A328 V329	E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.23Å; A325-H327 PolarHBondContact O-N 2.87Å; A325-A328 HydrophobicContact CB-CB 4.42Å; A325-A328 PolarHBondContact O-N 3.24Å; A325-V329 PolarHBondContact O-N 2.75Å
326	E	62.8	Low	81.7	Confident	106 Å²	106	37.3 Å²	37.3	50%	0.495	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.6	-167.4	-61.6	170.5	170.6	0	0	114.2	P324 L373 Y374	P324-E326 PolarHBondContact O-N 3.07Å; E326-L373 HydrophobicContact CG-CD1 4.07Å; E326-L373 HydrophobicContact CG-CG 4.31Å; E326-L373 VanDerWaalsContact OE1-CD1 3.26Å; E326-L373 WeakPolarHBondContact OE1-CD1 3.32Å; E326-L373 WeakPolarHBondContact OE2-CD1 3.42Å; E326-Y374 HydrophobicContact CB-CE2 4.27Å
327	H	61.1	Low	81.3	Confident	135 Å²	135	36.9 Å²	36.9	63%	0.625	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.5	178.9	59.1	-90.5	0	0	0	114.1	A325 Y374	A325-H327 PolarHBondContact O-N 2.87Å; H327-Y374 HydrophobicContact CB-CE2 4.28Å
328	A	70.6	Confident	81.1	Confident	3 Å²	3	31.6 Å²	31.6	3%	0.025	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-2	-173.8	0	0	0	0	0	113.7	A325 T330 E331 L332	A325-A328 HydrophobicContact CB-CB 4.42Å; A325-A328 PolarHBondContact O-N 3.24Å; A328-T330 VanDerWaalsContact C-N 3.29Å; A328-T330 PolarHBondContact O-N 3.37Å; A328-E331 PolarHBondContact O-N 3.4Å; A328-L332 WeakPolarHBondContact O-CG 3.24Å; A328-L332 PolarHBondContact O-N 3.04Å
329	V	77.9	Confident	81.2	Confident	9 Å²	9	31.2 Å²	31.2	6%	0.055	16%	0.159	C	C	.	.	H	α-helix	trans	-54.6	-44.8	179.2	176.3	0	0	0	0	111.3	P324 A325 E331 L332 K333	P324-V329 HydrophobicContact CB-CG2 3.89Å; A325-V329 PolarHBondContact O-N 2.75Å; V329-E331 PolarHBondContact O-N 2.79Å; V329-L332 PolarHBondContact O-N 3.46Å; V329-K333 HydrophobicContact CG1-CD 3.8Å; V329-K333 HydrophobicContact CG1-CG 4.37Å; V329-K333 WeakPolarHBondContact O-CB 3.33Å; V329-K333 WeakPolarHBondContact O-CG 3.48Å; V329-K333 PolarHBondContact O-N 3.37Å
330	T	76.7	Confident	81.2	Confident	14 Å²	14	31.2 Å²	31.2	9%	0.086	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-39.5	-179.3	59.1	0	0	0	0	112.1	I74 A328 K333 V334 G455	I74-T330 HydrophobicContact CD1-CG2 4.26Å; A328-T330 VanDerWaalsContact C-N 3.29Å; A328-T330 PolarHBondContact O-N 3.37Å; T330-K333 WeakPolarHBondContact O-CB 3.49Å; T330-K333 PolarHBondContact O-N 3.2Å; T330-V334 VanDerWaalsContact O-CG2 3.31Å; T330-V334 WeakPolarHBondContact O-CG2 3.28Å; T330-V334 PolarHBondContact O-N 2.99Å; T330-G455 PolarHBondContact OG1-O 3.23Å
331	E	81.5	Confident	81.1	Confident	5 Å²	5	31 Å²	31	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-48.4	175.9	173.1	171.5	-143.7	0	0	110.5	G158 I159 A328 V329 K333 V334 I335 G455 Q456	G158-E331 WeakPolarHBondContact CA-OE1 3.2Å; I159-E331 HydrophobicContact CD1-CG 4.15Å; I159-E331 HydrophobicContact CG1-CG 4.28Å; I159-E331 PolarHBondContact N-OE1 2.97Å; A328-E331 PolarHBondContact O-N 3.4Å; V329-E331 PolarHBondContact O-N 2.79Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K333 PolarHBondContact O-N 2.83Å; E331-V334 PolarHBondContact O-N 3.43Å; E331-I335 HydrophobicContact CG-CG1 4.41Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.13Å; E331-I335 PolarHBondContact O-N 3.07Å; E331-G455 PolarHBondContact N-O 2.89Å; E331-Q456 HydrophobicContact CB-CG 4.36Å; E331-Q456 HydrophobicContact CG-CG 4.37Å; E331-Q456 PolarHBondContact OE1-NE2 3.45Å; E331-Q456 PolarHBondContact OE2-NE2 2.84Å
332	L	85.9	Confident	81.3	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-40.9	177.4	-67.4	173.3	0	0	0	111.9	I159 L319 I322 P324 A328 V329 G336 F367	I159-L332 HydrophobicContact CD1-CD2 3.76Å; L319-L332 HydrophobicContact CD1-CD2 4.48Å; L319-L332 HydrophobicContact CG-CD2 4.05Å; I322-L332 HydrophobicContact CB-CD1 4.42Å; I322-L332 HydrophobicContact CB-CD2 4.01Å; I322-L332 HydrophobicContact CD1-CD2 3.84Å; I322-L332 HydrophobicContact CG2-CD1 4Å; I322-L332 HydrophobicContact CG2-CD2 3.94Å; P324-L332 HydrophobicContact CB-CD1 4.04Å; A328-L332 WeakPolarHBondContact O-CG 3.24Å; A328-L332 PolarHBondContact O-N 3.04Å; V329-L332 PolarHBondContact O-N 3.46Å; L332-G336 WeakPolarHBondContact O-CA 3.43Å; L332-G336 PolarHBondContact O-N 2.94Å; L332-F367 HydrophobicContact CB-CE1 4.27Å
333	K	83.1	Confident	81.6	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-47.3	175.5	-79.2	172	166	-171.4	0	112.3	V329 T330 E331 G337 F367 K370 E375 W383	V329-K333 HydrophobicContact CG1-CD 3.8Å; V329-K333 HydrophobicContact CG1-CG 4.37Å; V329-K333 WeakPolarHBondContact O-CB 3.33Å; V329-K333 WeakPolarHBondContact O-CG 3.48Å; V329-K333 PolarHBondContact O-N 3.37Å; T330-K333 WeakPolarHBondContact O-CB 3.49Å; T330-K333 PolarHBondContact O-N 3.2Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K333 PolarHBondContact O-N 2.83Å; K333-G337 PolarHBondContact O-N 3.49Å; K333-F367 HydrophobicContact CG-CD1 3.65Å; K333-F367 HydrophobicContact CG-CE1 4.08Å; K333-F367 HydrophobicContact CG-CG 4.33Å; K333-K370 WeakPolarHBondContact CE-O 3.42Å; K333-K370 PolarHBondContact NZ-O 2.56Å; K333-E375 IonicContact NZ-OE1 2.81Å; K333-E375 PolarHBondContact NZ-OE1 3.35Å; K333-E375 IonicContact NZ-OE2 2.88Å; K333-E375 PolarHBondContact NZ-OE2 2.93Å; K333-E375 VanDerWaalsContact NZ-OE2 3.15Å; K333-W383 HydrophobicContact CB-CZ2 4.19Å; K333-W383 HydrophobicContact CD-CD2 3.8Å; K333-W383 HydrophobicContact CD-CG 4.09Å; K333-W383 HydrophobicContact CD-CH2 4.5Å; K333-W383 HydrophobicContact CD-CZ2 3.59Å; K333-W383 VanDerWaalsContact CE-CE2 3.41Å; K333-W383 VanDerWaalsContact CE-CZ2 3.42Å; K333-W383 HydrophobicContact CG-CZ2 3.49Å; K333-W383 VanDerWaalsContact CG-CZ2 3.49Å
334	V	83.7	Confident	82.2	Confident	8 Å²	8	19.3 Å²	19.3	5%	0.048	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-49.4	179.9	171.3	0	0	0	0	111.3	I74 T330 E331 G337 F338 R390	I74-V334 HydrophobicContact CB-CG2 4.18Å; I74-V334 HydrophobicContact CG2-CG2 3.41Å; I74-V334 VanDerWaalsContact CG2-CG2 3.41Å; T330-V334 VanDerWaalsContact O-CG2 3.31Å; T330-V334 WeakPolarHBondContact O-CG2 3.28Å; T330-V334 PolarHBondContact O-N 2.99Å; E331-V334 PolarHBondContact O-N 3.43Å; V334-G337 PolarHBondContact O-N 3.26Å; V334-F338 HydrophobicContact CG1-CD1 4.39Å; V334-F338 HydrophobicContact CG1-CD2 4.45Å; V334-F338 HydrophobicContact CG1-CE1 3.75Å; V334-F338 HydrophobicContact CG1-CE2 3.87Å; V334-F338 HydrophobicContact CG1-CZ 3.46Å; V334-F338 VanDerWaalsContact CG1-CZ 3.46Å; V334-F338 WeakPolarHBondContact O-CD1 3.49Å; V334-F338 WeakPolarHBondContact O-CG 3.34Å; V334-F338 PolarHBondContact O-N 3.47Å; V334-R390 PolarHBondContact O-NH2 3.27Å; V334-R390 VanDerWaalsContact O-NH2 3.17Å
335	I	88.1	Confident	83.3	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-43	-179.5	-59.9	-61.3	0	0	0	111.2	I159 L160 V289 L319 E331 G337 F338 L339	I159-I335 HydrophobicContact CB-CG1 4.17Å; I159-I335 HydrophobicContact CD1-CG1 4.31Å; I159-I335 HydrophobicContact CG2-CG1 4.29Å; I159-I335 HydrophobicContact CG2-CG2 4.12Å; L160-I335 HydrophobicContact CB-CD1 3.7Å; L160-I335 HydrophobicContact CD2-CD1 4.39Å; V289-I335 HydrophobicContact CG1-CG2 4.36Å; L319-I335 HydrophobicContact CD1-CB 3.79Å; L319-I335 HydrophobicContact CD1-CG2 3.5Å; E331-I335 HydrophobicContact CG-CG1 4.41Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.13Å; E331-I335 PolarHBondContact O-N 3.07Å; I335-G337 PolarHBondContact O-N 3.46Å; I335-F338 HydrophobicContact CD1-CD2 4.03Å; I335-F338 HydrophobicContact CD1-CE2 4.32Å; I335-F338 WeakPolarHBondContact O-CB 3.33Å; I335-F338 PolarHBondContact O-N 3.3Å; I335-L339 HydrophobicContact CG2-CD1 4.2Å; I335-L339 WeakPolarHBondContact O-CG 3.39Å; I335-L339 PolarHBondContact O-N 3.18Å
336	G	89.2	Confident	84.4	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.3	-39.9	174.5	0	0	0	0	0	111.2	L332 T340	L332-G336 WeakPolarHBondContact O-CA 3.43Å; L332-G336 PolarHBondContact O-N 2.94Å; G336-T340 WeakPolarHBondContact O-CB 3.5Å; G336-T340 PolarHBondContact O-N 3.41Å; G336-T340 PolarHBondContact O-OG1 3.09Å
337	G	87	Confident	85.8	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-48.4	170.9	0	0	0	0	0	112.8	K333 V334 I335 L339 T340 Y341 R390	K333-G337 PolarHBondContact O-N 3.49Å; V334-G337 PolarHBondContact O-N 3.26Å; I335-G337 PolarHBondContact O-N 3.46Å; G337-L339 VanDerWaalsContact C-N 3.25Å; G337-L339 PolarHBondContact O-N 3.28Å; G337-T340 WeakPolarHBondContact O-CB 3.33Å; G337-T340 PolarHBondContact O-N 3.07Å; G337-T340 VanDerWaalsContact O-N 3.09Å; G337-Y341 PolarHBondContact O-N 2.86Å; G337-R390 PolarHBondContact O-NH1 3.35Å
338	F	89.7	Confident	87.3	Confident	3 Å²	3	5.4 Å²	5.4	1%	0.013	3%	0.028	C	C	.	.	H	α-helix	trans	-55.4	-43.5	179.2	-68.1	-10.1	0	0	0	111.9	L77 P78 L81 L160 F293 V334 I335 Y341 K342 Y454	L77-F338 HydrophobicContact CD2-CD1 3.67Å; L77-F338 HydrophobicContact CD2-CE1 3.89Å; P78-F338 VanDerWaalsContact CD-CZ 3.43Å; P78-F338 HydrophobicContact CG-CE1 4.19Å; P78-F338 HydrophobicContact CG-CE2 4.17Å; P78-F338 HydrophobicContact CG-CZ 3.73Å; L81-F338 HydrophobicContact CD1-CB 3.77Å; L81-F338 HydrophobicContact CD1-CD1 3.22Å; L81-F338 HydrophobicContact CD1-CD2 3.69Å; L81-F338 HydrophobicContact CD1-CE1 3.63Å; L81-F338 HydrophobicContact CD1-CE2 4Å; L81-F338 HydrophobicContact CD1-CG 3.29Å; L81-F338 HydrophobicContact CD1-CZ 4Å; L160-F338 HydrophobicContact CD2-CD2 4.49Å; F293-F338 HydrophobicContact CE2-CB 4.46Å; V334-F338 HydrophobicContact CG1-CD1 4.39Å; V334-F338 HydrophobicContact CG1-CD2 4.45Å; V334-F338 HydrophobicContact CG1-CE1 3.75Å; V334-F338 HydrophobicContact CG1-CE2 3.87Å; V334-F338 HydrophobicContact CG1-CZ 3.46Å; V334-F338 VanDerWaalsContact CG1-CZ 3.46Å; V334-F338 WeakPolarHBondContact O-CD1 3.49Å; V334-F338 WeakPolarHBondContact O-CG 3.34Å; V334-F338 PolarHBondContact O-N 3.47Å; I335-F338 HydrophobicContact CD1-CD2 4.03Å; I335-F338 HydrophobicContact CD1-CE2 4.32Å; I335-F338 WeakPolarHBondContact O-CB 3.33Å; I335-F338 PolarHBondContact O-N 3.3Å; F338-Y341 PolarHBondContact O-N 3.47Å; F338-K342 PolarHBondContact O-N 3.41Å; F338-Y454 AromaticContact CE2-CD1 3.73Å; F338-Y454 HydrophobicContact CE2-CD1 3.73Å; F338-Y454 AromaticContact CE2-CD2 3.9Å; F338-Y454 HydrophobicContact CE2-CD2 3.9Å; F338-Y454 HydrophobicContact CE2-CE1 4.25Å; F338-Y454 HydrophobicContact CE2-CE2 4.38Å; F338-Y454 AromaticContact CE2-CG 3.53Å; F338-Y454 HydrophobicContact CE2-CG 3.53Å; F338-Y454 AromaticContact CZ-CD1 3.84Å; F338-Y454 HydrophobicContact CZ-CD1 3.84Å; F338-Y454 HydrophobicContact CZ-CE1 4.34Å; F338-Y454 HydrophobicContact CZ-CG 4.09Å
339	L	92.7	Very high	88.1	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.2	-49.1	173.9	-71.5	168.6	0	0	0	111.4	F293 Y312 A315 Y316 L319 I335 G337 Y341 K342 I343	F293-L339 HydrophobicContact CD2-CD2 3.65Å; F293-L339 HydrophobicContact CD2-CG 4.28Å; F293-L339 HydrophobicContact CE2-CD2 4.38Å; Y312-L339 HydrophobicContact CD1-CD2 3.64Å; Y312-L339 HydrophobicContact CE1-CD2 4.47Å; Y312-L339 HydrophobicContact CG-CD2 4.37Å; A315-L339 HydrophobicContact CB-CD1 4.02Å; A315-L339 HydrophobicContact CB-CD2 3.64Å; Y316-L339 HydrophobicContact CD2-CB 4.04Å; Y316-L339 HydrophobicContact CD2-CD1 4.43Å; L319-L339 HydrophobicContact CD1-CD1 4.06Å; I335-L339 HydrophobicContact CG2-CD1 4.2Å; I335-L339 WeakPolarHBondContact O-CG 3.39Å; I335-L339 PolarHBondContact O-N 3.18Å; G337-L339 VanDerWaalsContact C-N 3.25Å; G337-L339 PolarHBondContact O-N 3.28Å; L339-Y341 VanDerWaalsContact C-N 3.3Å; L339-Y341 PolarHBondContact O-N 3.23Å; L339-K342 PolarHBondContact O-N 2.86Å; L339-I343 WeakPolarHBondContact O-CB 3.34Å; L339-I343 WeakPolarHBondContact O-CD1 3.26Å; L339-I343 WeakPolarHBondContact O-CG1 2.78Å; L339-I343 PolarHBondContact O-N 2.66Å
340	T	91.3	Very high	88.6	Confident	3 Å²	3	13.4 Å²	13.4	2%	0.018	6%	0.062	C	C	.	.	H	α-helix	trans	-57.2	-44.1	178.1	-58.7	0	0	0	0	111.3	G336 G337 I343 C344 F360 H363	G336-T340 WeakPolarHBondContact O-CB 3.5Å; G336-T340 PolarHBondContact O-N 3.41Å; G336-T340 PolarHBondContact O-OG1 3.09Å; G337-T340 WeakPolarHBondContact O-CB 3.33Å; G337-T340 PolarHBondContact O-N 3.07Å; G337-T340 VanDerWaalsContact O-N 3.09Å; T340-I343 PolarHBondContact O-N 3.26Å; T340-C344 WeakPolarHBondContact O-CB 2.98Å; T340-C344 PolarHBondContact O-N 3.05Å; T340-C344 PolarHBondContact O-SG 2.89Å; T340-F360 HydrophobicContact CG2-CD2 3.99Å; T340-H363 HydrophobicContact CG2-CB 4.09Å; T340-H363 PolarHBondContact OG1-CD2 3.49Å; T340-H363 PolarHBondContact OG1-ND1 3.43Å
341	Y	89.9	Confident	89.2	Confident	25 Å²	25	18.2 Å²	18.2	10%	0.098	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-49.6	176.4	172.4	-94.7	0	0	0	111.8	L77 L81 G337 F338 L339 I343 C344 N345 V393 L397	L77-Y341 HydrophobicContact CD1-CD2 3.79Å; L77-Y341 HydrophobicContact CD1-CE2 4.02Å; L77-Y341 HydrophobicContact CD1-CG 4.1Å; L77-Y341 HydrophobicContact CD2-CG 4.45Å; L81-Y341 HydrophobicContact CB-CE1 4.46Å; L81-Y341 VanDerWaalsContact O-CE1 3.3Å; L81-Y341 WeakPolarHBondContact O-CE1 3.31Å; G337-Y341 PolarHBondContact O-N 2.86Å; F338-Y341 PolarHBondContact O-N 3.47Å; L339-Y341 VanDerWaalsContact C-N 3.3Å; L339-Y341 PolarHBondContact O-N 3.23Å; Y341-I343 PolarHBondContact O-N 3.1Å; Y341-C344 PolarHBondContact O-N 3.37Å; Y341-N345 VanDerWaalsContact O-CB 3.27Å; Y341-N345 WeakPolarHBondContact O-CB 3.49Å; Y341-N345 PolarHBondContact O-N 3.48Å; Y341-V393 HydrophobicContact CD2-CG1 3.55Å; Y341-V393 HydrophobicContact CE2-CG1 3.33Å; Y341-L397 HydrophobicContact CD2-CD2 4.26Å; Y341-L397 HydrophobicContact CE2-CD2 4.11Å
342	K	92.1	Very high	89.6	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-62.5	-43.1	178.7	-73.6	-59.1	-157.8	161.9	0	112	L81 E300 Y312 F338 L339 N345 L346	L81-K342 HydrophobicContact CD2-CD 4.39Å; L81-K342 HydrophobicContact CD2-CG 4.27Å; E300-K342 VanDerWaalsContact CD-NZ 3.33Å; E300-K342 WeakPolarHBondContact OE1-CD 3.47Å; E300-K342 WeakPolarHBondContact OE1-CE 3.47Å; E300-K342 IonicContact OE1-NZ 2.7Å; E300-K342 PolarHBondContact OE1-NZ 3.45Å; E300-K342 IonicContact OE2-NZ 3.8Å; E300-K342 PolarHBondContact OE2-NZ 3.3Å; Y312-K342 HydrophobicContact CD2-CB 3.89Å; Y312-K342 HydrophobicContact CE1-CB 4.49Å; Y312-K342 HydrophobicContact CE1-CG 4.49Å; Y312-K342 HydrophobicContact CE2-CB 3.83Å; Y312-K342 HydrophobicContact CE2-CG 4.19Å; Y312-K342 HydrophobicContact CG-CB 4.26Å; F338-K342 PolarHBondContact O-N 3.41Å; L339-K342 PolarHBondContact O-N 2.86Å; K342-N345 PolarHBondContact O-N 3.14Å; K342-L346 WeakPolarHBondContact O-CB 3.26Å; K342-L346 VanDerWaalsContact O-CG 3.29Å; K342-L346 WeakPolarHBondContact O-CG 3.02Å; K342-L346 PolarHBondContact O-N 3.39Å
343	I	94.1	Very high	89.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-50.5	177.1	-69.3	164.8	0	0	0	110.4	L309 K313 Y316 L339 T340 Y341 N345 L346 C347 H359	L309-I343 HydrophobicContact CD1-CB 4.28Å; L309-I343 HydrophobicContact CD1-CG1 4.32Å; L309-I343 HydrophobicContact CD1-CG2 3.88Å; K313-I343 HydrophobicContact CG-CD1 4.17Å; K313-I343 HydrophobicContact CG-CG1 4.37Å; K313-I343 HydrophobicContact CG-CG2 4.45Å; Y316-I343 HydrophobicContact CG-CD1 4.47Å; L339-I343 WeakPolarHBondContact O-CB 3.34Å; L339-I343 WeakPolarHBondContact O-CD1 3.26Å; L339-I343 WeakPolarHBondContact O-CG1 2.78Å; L339-I343 PolarHBondContact O-N 2.66Å; T340-I343 PolarHBondContact O-N 3.26Å; Y341-I343 PolarHBondContact O-N 3.1Å; I343-N345 PolarHBondContact O-N 3.12Å; I343-L346 PolarHBondContact O-N 3.41Å; I343-C347 WeakPolarHBondContact O-CB 3.42Å; I343-C347 PolarHBondContact O-N 2.7Å; I343-C347 PolarHBondContact O-SG 3.5Å; I343-H359 VanDerWaalsContact CD1-CE1 3.46Å; I343-H359 WeakPolarHBondContact CD1-CE1 3.43Å; I343-H359 VanDerWaalsContact CD1-NE2 3.27Å; I343-H359 WeakPolarHBondContact CD1-NE2 3.39Å; I343-H359 HydrophobicContact CG2-CB 4.4Å
344	C	91.8	Very high	90	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-44.2	179.8	-65.4	0	0	0	0	111.5	T340 Y341 L346 C347 F348 S356 F394 L397	T340-C344 WeakPolarHBondContact O-CB 2.98Å; T340-C344 PolarHBondContact O-N 3.05Å; T340-C344 PolarHBondContact O-SG 2.89Å; Y341-C344 PolarHBondContact O-N 3.37Å; C344-L346 PolarHBondContact O-N 3.09Å; C344-C347 PolarHBondContact O-N 3.48Å; C344-F348 HydrophobicContact CB-CD2 4.44Å; C344-F348 HydrophobicContact CB-CE2 4.18Å; C344-F348 WeakPolarHBondContact O-CB 3.37Å; C344-F348 WeakPolarHBondContact O-CD2 3.49Å; C344-F348 WeakPolarHBondContact O-CG 3.19Å; C344-F348 PolarHBondContact O-N 2.66Å; C344-S356 VanDerWaalsContact CA-OG 3.31Å; C344-S356 WeakPolarHBondContact CA-OG 2.88Å; C344-S356 WeakPolarHBondContact CB-OG 3.29Å; C344-S356 PolarHBondContact O-OG 3.32Å; C344-F394 HydrophobicContact CB-CD2 3.96Å; C344-F394 HydrophobicContact CB-CE2 3.83Å; C344-L397 HydrophobicContact CB-CD2 4.16Å
345	N	91.6	Very high	90.4	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.112	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-45.1	178.6	-175.7	13.8	0	0	0	111.7	Y341 K342 I343 F348 K349 L397	Y341-N345 VanDerWaalsContact O-CB 3.27Å; Y341-N345 WeakPolarHBondContact O-CB 3.49Å; Y341-N345 PolarHBondContact O-N 3.48Å; K342-N345 PolarHBondContact O-N 3.14Å; I343-N345 PolarHBondContact O-N 3.12Å; N345-F348 PolarHBondContact O-N 3.03Å; N345-K349 WeakPolarHBondContact O-CG 2.93Å; N345-K349 PolarHBondContact O-N 2.69Å; N345-L397 HydrophobicContact CB-CD1 3.86Å; N345-L397 HydrophobicContact CB-CD2 3.85Å; N345-L397 HydrophobicContact CB-CG 4.44Å; N345-L397 WeakPolarHBondContact OD1-CD1 3.39Å
346	L	92	Very high	90.5	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-41.5	175.8	-70.3	172.1	0	0	0	111.9	P305 A308 L309 Y312 K342 I343 C344 F348 K349 H350	P305-L346 HydrophobicContact CB-CD2 3.89Å; A308-L346 HydrophobicContact CB-CD1 3.86Å; L309-L346 HydrophobicContact CB-CB 4.47Å; L309-L346 HydrophobicContact CB-CD1 4.13Å; L309-L346 HydrophobicContact CD1-CB 4.2Å; Y312-L346 HydrophobicContact CD2-CD1 3.78Å; Y312-L346 HydrophobicContact CE2-CD1 4.01Å; K342-L346 WeakPolarHBondContact O-CB 3.26Å; K342-L346 VanDerWaalsContact O-CG 3.29Å; K342-L346 WeakPolarHBondContact O-CG 3.02Å; K342-L346 PolarHBondContact O-N 3.39Å; I343-L346 PolarHBondContact O-N 3.41Å; C344-L346 PolarHBondContact O-N 3.09Å; L346-F348 PolarHBondContact O-N 3.34Å; L346-K349 PolarHBondContact O-N 3.22Å; L346-H350 PolarHBondContact O-CD2 2.92Å; L346-H350 PolarHBondContact O-N 3Å
347	C	92.6	Very high	90.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-44.1	174.6	-73.6	0	0	0	0	111.8	I343 C344 H350 N351 K352	I343-C347 WeakPolarHBondContact O-CB 3.42Å; I343-C347 PolarHBondContact O-N 2.7Å; I343-C347 PolarHBondContact O-SG 3.5Å; C344-C347 PolarHBondContact O-N 3.48Å; C347-H350 CarbonylContact O-C 3.38Å; C347-H350 PolarHBondContact O-N 2.73Å; C347-H350 VanDerWaalsContact O-N 3.14Å; C347-N351 PolarHBondContact O-N 3.33Å; C347-K352 HydrophobicContact CB-CB 4.25Å; C347-K352 PolarHBondContact O-N 3.45Å
348	F	90.9	Very high	90.8	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-41.6	176.3	-71.9	-49.8	0	0	0	112.8	C344 N345 L346 H350 N351 L353 S356 F394 L397 F398 A401 L406	C344-F348 HydrophobicContact CB-CD2 4.44Å; C344-F348 HydrophobicContact CB-CE2 4.18Å; C344-F348 WeakPolarHBondContact O-CB 3.37Å; C344-F348 WeakPolarHBondContact O-CD2 3.49Å; C344-F348 WeakPolarHBondContact O-CG 3.19Å; C344-F348 PolarHBondContact O-N 2.66Å; N345-F348 PolarHBondContact O-N 3.03Å; L346-F348 PolarHBondContact O-N 3.34Å; F348-H350 PolarHBondContact O-N 2.68Å; F348-N351 PolarHBondContact O-N 3.31Å; F348-N351 VanDerWaalsContact O-N 3.07Å; F348-L353 HydrophobicContact CD1-CD1 4.44Å; F348-L353 HydrophobicContact CE1-CD1 3.69Å; F348-S356 WeakPolarHBondContact CE2-OG 3.33Å; F348-S356 WeakPolarHBondContact CZ-OG 3.45Å; F348-F394 HydrophobicContact CE2-CD2 4.02Å; F348-F394 AromaticContact CE2-CE2 3.61Å; F348-F394 HydrophobicContact CE2-CE2 3.61Å; F348-F394 HydrophobicContact CE2-CZ 4.06Å; F348-F394 HydrophobicContact CZ-CD2 4.27Å; F348-F394 HydrophobicContact CZ-CE1 4.19Å; F348-F394 AromaticContact CZ-CE2 3.52Å; F348-F394 HydrophobicContact CZ-CE2 3.52Å; F348-F394 AromaticContact CZ-CZ 3.48Å; F348-F394 HydrophobicContact CZ-CZ 3.48Å; F348-F394 VanDerWaalsContact CZ-CZ 3.48Å; F348-L397 HydrophobicContact CD2-CD2 3.78Å; F348-L397 HydrophobicContact CD2-CG 3.69Å; F348-L397 HydrophobicContact CE2-CD2 3.87Å; F348-L397 HydrophobicContact CE2-CG 3.94Å; F348-F398 HydrophobicContact CD1-CD2 4.45Å; F348-F398 HydrophobicContact CE1-CB 4.31Å; F348-F398 AromaticContact CE1-CD2 3.7Å; F348-F398 HydrophobicContact CE1-CD2 3.7Å; F348-F398 HydrophobicContact CE1-CE2 4.23Å; F348-F398 HydrophobicContact CE1-CG 4.04Å; F348-F398 HydrophobicContact CE2-CB 4.21Å; F348-F398 HydrophobicContact CZ-CB 3.74Å; F348-F398 HydrophobicContact CZ-CD2 4.01Å; F348-F398 AromaticContact CZ-CG 3.87Å; F348-F398 HydrophobicContact CZ-CG 3.87Å; F348-A401 HydrophobicContact CB-CB 3.78Å; F348-A401 HydrophobicContact CD1-CB 4.13Å; F348-A401 HydrophobicContact CG-CB 3.97Å; F348-L406 HydrophobicContact CD1-CD2 3.65Å; F348-L406 HydrophobicContact CE1-CD2 4.1Å
349	K	87.5	Confident	90.8	Very high	113 Å²	113	36.4 Å²	36.4	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-60.1	-26.6	174	-74.7	178.4	-179.6	-177.6	0	113.3	N345 L346	N345-K349 WeakPolarHBondContact O-CG 2.93Å; N345-K349 PolarHBondContact O-N 2.69Å; L346-K349 PolarHBondContact O-N 3.22Å
350	H	90.1	Very high	90.7	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.306	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	16.3	177.4	-71.6	-64.8	0	0	0	113.6	P305 L346 C347 F348 K352	P305-H350 VanDerWaalsContact CB-NE2 3.26Å; P305-H350 WeakPolarHBondContact CB-NE2 3.11Å; P305-H350 VanDerWaalsContact CG-NE2 3.27Å; P305-H350 WeakPolarHBondContact CG-NE2 3.43Å; L346-H350 PolarHBondContact O-CD2 2.92Å; L346-H350 PolarHBondContact O-N 3Å; C347-H350 CarbonylContact O-C 3.38Å; C347-H350 PolarHBondContact O-N 2.73Å; C347-H350 VanDerWaalsContact O-N 3.14Å; F348-H350 PolarHBondContact O-N 2.68Å; H350-K352 HydrophobicContact CB-CG 4.25Å; H350-K352 PolarHBondContact O-N 3.4Å; H350-K352 VanDerWaalsContact O-N 3.09Å
351	N	88	Confident	90.5	Very high	115 Å²	115	43 Å²	43	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	22.8	-177.5	-62.8	-32.5	0	0	0	114.6	C347 F348 L353 L406	C347-N351 PolarHBondContact O-N 3.33Å; F348-N351 PolarHBondContact O-N 3.31Å; F348-N351 VanDerWaalsContact O-N 3.07Å; N351-L353 PolarHBondContact O-N 3.27Å; N351-L406 HydrophobicContact CB-CD1 4.23Å
352	K	89.8	Confident	90.5	Very high	96 Å²	96	47.9 Å²	47.9	42%	0.417	23%	0.231	S	C	.	.			trans	-92	69.1	177.8	-61.2	-169.1	177.4	-170.7	0	110.8	C347 H350 D355 S356	C347-K352 HydrophobicContact CB-CB 4.25Å; C347-K352 PolarHBondContact O-N 3.45Å; H350-K352 HydrophobicContact CB-CG 4.25Å; H350-K352 PolarHBondContact O-N 3.4Å; H350-K352 VanDerWaalsContact O-N 3.09Å; K352-D355 HydrophobicContact CB-CB 4.11Å; K352-D355 WeakPolarHBondContact CD-OD2 2.93Å; K352-S356 PolarHBondContact O-N 3.43Å
353	L	87.7	Confident	90.4	Very high	19 Å²	19	47.8 Å²	47.8	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-51.7	-178.5	176.1	59.5	0	0	0	111.9	F348 N351 D355 S356 L357 F398 L406 Q412	F348-L353 HydrophobicContact CD1-CD1 4.44Å; F348-L353 HydrophobicContact CE1-CD1 3.69Å; N351-L353 PolarHBondContact O-N 3.27Å; L353-D355 PolarHBondContact O-N 3.25Å; L353-S356 WeakPolarHBondContact O-CA 3.44Å; L353-S356 VanDerWaalsContact O-CB 3.28Å; L353-S356 WeakPolarHBondContact O-CB 3.44Å; L353-S356 PolarHBondContact O-N 3.27Å; L353-L357 HydrophobicContact CD1-CD1 3.88Å; L353-L357 HydrophobicContact CD1-CD2 4.03Å; L353-L357 HydrophobicContact CD1-CG 3.83Å; L353-L357 HydrophobicContact CG-CD1 3.89Å; L353-L357 HydrophobicContact CG-CG 4.24Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.34Å; L353-F398 HydrophobicContact CD1-CD2 4.23Å; L353-F398 HydrophobicContact CD1-CE1 4.22Å; L353-F398 HydrophobicContact CD1-CE2 3.46Å; L353-F398 VanDerWaalsContact CD1-CE2 3.46Å; L353-F398 HydrophobicContact CD1-CZ 3.45Å; L353-F398 VanDerWaalsContact CD1-CZ 3.45Å; L353-F398 HydrophobicContact CD2-CE2 4.42Å; L353-F398 HydrophobicContact CD2-CZ 4.21Å; L353-F398 HydrophobicContact CG-CZ 4.48Å; L353-L406 HydrophobicContact CB-CD1 4.49Å; L353-L406 HydrophobicContact CD1-CD2 4.23Å; L353-Q412 HydrophobicContact CD2-CB 4.49Å
354	I	90.3	Very high	89.8	Confident	120 Å²	120	48.6 Å²	48.6	62%	0.615	24%	0.235	S	C	*	.	H	α-helix	trans	-60.7	-43.3	-175	-61	170.8	0	0	0	111.5	S356 L357 S358	I354-S356 VanDerWaalsContact C-N 3.31Å; I354-S356 PolarHBondContact O-N 3.19Å; I354-L357 PolarHBondContact O-N 3.47Å; I354-S358 VanDerWaalsContact O-CB 3.24Å; I354-S358 WeakPolarHBondContact O-CB 3.48Å; I354-S358 PolarHBondContact O-N 3.29Å
355	D	91	Very high	89.6	Confident	69 Å²	69	54 Å²	54	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-41.5	175.9	-72.3	-3	0	0	0	111.5	K352 L353 H359	K352-D355 HydrophobicContact CB-CB 4.11Å; K352-D355 WeakPolarHBondContact CD-OD2 2.93Å; L353-D355 PolarHBondContact O-N 3.25Å; D355-H359 VanDerWaalsContact O-CB 3.22Å; D355-H359 WeakPolarHBondContact O-CB 3.49Å; D355-H359 PolarHBondContact O-N 2.77Å
356	S	91	Very high	89.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-49.2	177.7	-162.6	0	0	0	0	110.9	C344 F348 K352 L353 I354 H359 F360	C344-S356 VanDerWaalsContact CA-OG 3.31Å; C344-S356 WeakPolarHBondContact CA-OG 2.88Å; C344-S356 WeakPolarHBondContact CB-OG 3.29Å; C344-S356 PolarHBondContact O-OG 3.32Å; F348-S356 WeakPolarHBondContact CE2-OG 3.33Å; F348-S356 WeakPolarHBondContact CZ-OG 3.45Å; K352-S356 PolarHBondContact O-N 3.43Å; L353-S356 WeakPolarHBondContact O-CA 3.44Å; L353-S356 VanDerWaalsContact O-CB 3.28Å; L353-S356 WeakPolarHBondContact O-CB 3.44Å; L353-S356 PolarHBondContact O-N 3.27Å; I354-S356 VanDerWaalsContact C-N 3.31Å; I354-S356 PolarHBondContact O-N 3.19Å; S356-H359 PolarHBondContact O-N 3.39Å; S356-F360 WeakPolarHBondContact O-CB 3.22Å; S356-F360 PolarHBondContact O-N 3.21Å
357	L	90	Very high	88.8	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-43.9	179.3	-59.2	176.2	0	0	0	112.1	L353 I354 F360 R361 F394 F398 Q412 Y417	L353-L357 HydrophobicContact CD1-CD1 3.88Å; L353-L357 HydrophobicContact CD1-CD2 4.03Å; L353-L357 HydrophobicContact CD1-CG 3.83Å; L353-L357 HydrophobicContact CG-CD1 3.89Å; L353-L357 HydrophobicContact CG-CG 4.24Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.34Å; I354-L357 PolarHBondContact O-N 3.47Å; L357-F360 PolarHBondContact O-N 3.28Å; L357-R361 WeakPolarHBondContact O-CB 3.16Å; L357-R361 WeakPolarHBondContact O-CG 3.31Å; L357-R361 PolarHBondContact O-N 3.31Å; L357-F394 HydrophobicContact CD2-CE1 3.75Å; L357-F394 HydrophobicContact CD2-CZ 3.55Å; L357-F398 HydrophobicContact CD2-CE1 4.25Å; L357-Q412 HydrophobicContact CD1-CB 4.19Å; L357-Q412 HydrophobicContact CD1-CG 4.04Å; L357-Y417 HydrophobicContact CD2-CE2 4.12Å; L357-Y417 WeakPolarHBondContact CD2-OH 3.41Å
358	S	91.7	Very high	88.1	Confident	75 Å²	75	61.4 Å²	61.4	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-45.9	178.6	177.5	0	0	0	0	111.3	I354 R361 K362	I354-S358 VanDerWaalsContact O-CB 3.24Å; I354-S358 WeakPolarHBondContact O-CB 3.48Å; I354-S358 PolarHBondContact O-N 3.29Å; S358-R361 PolarHBondContact O-N 3.15Å; S358-K362 WeakPolarHBondContact O-CB 3.45Å; S358-K362 PolarHBondContact O-N 3.44Å
359	H	91.7	Very high	87.3	Confident	23 Å²	23	64.4 Å²	64.4	11%	0.106	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-44.8	177.8	-175.4	77.1	0	0	0	111.8	Y316 I343 D355 S356 K362 H363	Y316-H359 AromaticContact CD1-CE1 3.52Å; Y316-H359 AromaticContact CE1-CE1 3.72Å; Y316-H359 AromaticContact CG-CE1 3.75Å; I343-H359 VanDerWaalsContact CD1-CE1 3.46Å; I343-H359 WeakPolarHBondContact CD1-CE1 3.43Å; I343-H359 VanDerWaalsContact CD1-NE2 3.27Å; I343-H359 WeakPolarHBondContact CD1-NE2 3.39Å; I343-H359 HydrophobicContact CG2-CB 4.4Å; D355-H359 VanDerWaalsContact O-CB 3.22Å; D355-H359 WeakPolarHBondContact O-CB 3.49Å; D355-H359 PolarHBondContact O-N 2.77Å; S356-H359 PolarHBondContact O-N 3.39Å; H359-K362 PolarHBondContact O-N 3.37Å; H359-H363 PolarHBondContact O-N 3.49Å
360	F	89.1	Confident	86.8	Confident	5 Å²	5	61.4 Å²	61.4	2%	0.022	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-45.9	177.7	-177	-98.2	0	0	0	112.1	T340 S356 L357 H363 I364 F391 F394 Y417	T340-F360 HydrophobicContact CG2-CD2 3.99Å; S356-F360 WeakPolarHBondContact O-CB 3.22Å; S356-F360 PolarHBondContact O-N 3.21Å; L357-F360 PolarHBondContact O-N 3.28Å; F360-H363 WeakPolarHBondContact O-CB 3.46Å; F360-H363 PolarHBondContact O-N 3.44Å; F360-I364 HydrophobicContact CD1-CG1 4.39Å; F360-I364 HydrophobicContact CE1-CG1 4Å; F360-I364 HydrophobicContact CZ-CD1 4.21Å; F360-I364 HydrophobicContact CZ-CG1 4.13Å; F360-I364 WeakPolarHBondContact O-CG1 3.41Å; F360-I364 PolarHBondContact O-N 2.98Å; F360-I364 VanDerWaalsContact O-N 3.07Å; F360-F391 AromaticContact CE1-CD1 3.78Å; F360-F391 HydrophobicContact CE1-CD1 3.78Å; F360-F391 HydrophobicContact CE1-CD2 4.19Å; F360-F391 AromaticContact CE1-CE1 3.45Å; F360-F391 HydrophobicContact CE1-CE1 3.45Å; F360-F391 VanDerWaalsContact CE1-CE1 3.45Å; F360-F391 AromaticContact CE1-CE2 3.91Å; F360-F391 HydrophobicContact CE1-CE2 3.91Å; F360-F391 HydrophobicContact CE1-CG 4.12Å; F360-F391 AromaticContact CE1-CZ 3.51Å; F360-F391 HydrophobicContact CE1-CZ 3.51Å; F360-F391 AromaticContact CZ-CD1 3.92Å; F360-F391 HydrophobicContact CZ-CD1 3.92Å; F360-F391 AromaticContact CZ-CD2 3.74Å; F360-F391 HydrophobicContact CZ-CD2 3.74Å; F360-F391 AromaticContact CZ-CE1 3.98Å; F360-F391 HydrophobicContact CZ-CE1 3.98Å; F360-F391 AromaticContact CZ-CE2 3.8Å; F360-F391 HydrophobicContact CZ-CE2 3.8Å; F360-F391 AromaticContact CZ-CG 3.78Å; F360-F391 HydrophobicContact CZ-CG 3.78Å; F360-F391 AromaticContact CZ-CZ 3.92Å; F360-F391 HydrophobicContact CZ-CZ 3.92Å; F360-F394 HydrophobicContact CB-CD2 4.39Å; F360-F394 HydrophobicContact CB-CE2 3.96Å; F360-F394 HydrophobicContact CB-CZ 4.24Å; F360-F394 HydrophobicContact CD1-CD1 4.49Å; F360-F394 HydrophobicContact CD2-CB 4.32Å; F360-F394 AromaticContact CD2-CD2 3.77Å; F360-F394 HydrophobicContact CD2-CD2 3.77Å; F360-F394 HydrophobicContact CD2-CE2 4.21Å; F360-F394 HydrophobicContact CD2-CG 4.02Å; F360-F394 HydrophobicContact CE2-CB 3.91Å; F360-F394 HydrophobicContact CE2-CD2 4.24Å; F360-F394 HydrophobicContact CE2-CG 4.05Å; F360-F394 HydrophobicContact CG-CD2 4.06Å; F360-F394 HydrophobicContact CG-CE2 4.07Å; F360-F394 HydrophobicContact CG-CG 4.3Å; F360-F394 HydrophobicContact CG-CZ 4.33Å; F360-F394 HydrophobicContact CZ-CB 4.25Å; F360-F394 HydrophobicContact CZ-CG 4.37Å; F360-Y417 HydrophobicContact CD1-CD1 4.46Å; F360-Y417 AromaticContact CD1-CE1 3.93Å; F360-Y417 HydrophobicContact CD1-CE1 3.93Å; F360-Y417 AromaticContact CE1-CD1 3.99Å; F360-Y417 HydrophobicContact CE1-CD1 3.99Å; F360-Y417 AromaticContact CE1-CE1 3.88Å; F360-Y417 HydrophobicContact CE1-CE1 3.88Å
361	R	88.2	Confident	85.7	Confident	137 Å²	137	62.5 Å²	62.5	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-49.8	175.6	-73.8	175.2	-178.1	179.2	0.8	111.9	L357 S358 H363 I364 D365	L357-R361 WeakPolarHBondContact O-CB 3.16Å; L357-R361 WeakPolarHBondContact O-CG 3.31Å; L357-R361 PolarHBondContact O-N 3.31Å; S358-R361 PolarHBondContact O-N 3.15Å; R361-H363 PolarHBondContact O-N 2.98Å; R361-I364 PolarHBondContact O-N 2.98Å; R361-D365 VanDerWaalsContact O-CG 3.29Å; R361-D365 PolarHBondContact O-N 3.17Å
362	K	89.9	Confident	84.3	Confident	127 Å²	127	57.5 Å²	57.5	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-55.9	-37.1	176.7	-177	175.6	-179.2	173.8	0	112.4	S358 H359 Y366	S358-K362 WeakPolarHBondContact O-CB 3.45Å; S358-K362 PolarHBondContact O-N 3.44Å; H359-K362 PolarHBondContact O-N 3.37Å; K362-Y366 WeakPolarHBondContact O-CB 3.44Å; K362-Y366 PolarHBondContact O-N 2.91Å; K362-Y366 VanDerWaalsContact O-N 3.15Å
363	H	88.4	Confident	82.6	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-47.2	176	177.1	62.7	0	0	0	112.7	Y316 T340 H359 F360 R361 F367 H387	Y316-H363 HydrophobicContact CE2-CB 4.47Å; Y316-H363 AromaticContact CE2-ND1 3.53Å; Y316-H363 AromaticContact CZ-ND1 3.73Å; Y316-H363 WeakPolarHBondContact OH-CA 3.22Å; Y316-H363 VanDerWaalsContact OH-CB 3.3Å; Y316-H363 WeakPolarHBondContact OH-CB 3.1Å; Y316-H363 PolarHBondContact OH-ND1 2.99Å; T340-H363 HydrophobicContact CG2-CB 4.09Å; T340-H363 PolarHBondContact OG1-CD2 3.49Å; T340-H363 PolarHBondContact OG1-ND1 3.43Å; H359-H363 PolarHBondContact O-N 3.49Å; F360-H363 WeakPolarHBondContact O-CB 3.46Å; F360-H363 PolarHBondContact O-N 3.44Å; R361-H363 PolarHBondContact O-N 2.98Å; H363-F367 AromaticContact CE1-CD2 3.35Å; H363-F367 WeakPolarHBondContact CE1-CD2 2.78Å; H363-F367 AromaticContact CE1-CE2 3.47Å; H363-F367 VanDerWaalsContact CE1-CE2 3.47Å; H363-F367 WeakPolarHBondContact CE1-CE2 3.13Å; H363-F367 AromaticContact ND1-CD2 3.41Å; H363-F367 WeakPolarHBondContact ND1-CD2 3.45Å; H363-F367 AromaticContact ND1-CE2 3.5Å; H363-F367 PolarHBondContact O-N 3.07Å; H363-H387 AromaticContact NE2-CE1 3.92Å
364	I	83.4	Confident	80.9	Confident	18 Å²	18	62.1 Å²	62.1	9%	0.092	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-50.6	177.2	-63	-57.4	0	0	0	110.3	F360 R361 Y366 F367 K368 F391	F360-I364 HydrophobicContact CD1-CG1 4.39Å; F360-I364 HydrophobicContact CE1-CG1 4Å; F360-I364 HydrophobicContact CZ-CD1 4.21Å; F360-I364 HydrophobicContact CZ-CG1 4.13Å; F360-I364 WeakPolarHBondContact O-CG1 3.41Å; F360-I364 PolarHBondContact O-N 2.98Å; F360-I364 VanDerWaalsContact O-N 3.07Å; R361-I364 PolarHBondContact O-N 2.98Å; I364-Y366 VanDerWaalsContact C-N 3.28Å; I364-Y366 PolarHBondContact O-N 3.2Å; I364-F367 PolarHBondContact O-N 3.22Å; I364-K368 WeakPolarHBondContact O-CB 3.43Å; I364-K368 PolarHBondContact O-N 2.99Å; I364-F391 HydrophobicContact CD1-CE2 3.76Å; I364-F391 HydrophobicContact CD1-CZ 4.42Å; I364-F391 HydrophobicContact CG1-CE2 3.91Å; I364-F391 HydrophobicContact CG1-CZ 4.07Å
365	D	86	Confident	79.1	Confident	114 Å²	114	57.5 Å²	57.5	61%	0.61	30%	0.298	S	S	*	.	H	α-helix	trans	-59.2	-39.3	-177.2	-64.2	-27.4	0	0	0	112.2	R361	R361-D365 VanDerWaalsContact O-CG 3.29Å; R361-D365 PolarHBondContact O-N 3.17Å
366	Y	85.5	Confident	77.5	Confident	72 Å²	72	55.1 Å²	55.1	28%	0.282	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-43.5	-179.6	-178.8	-87.7	0	0	0	113.3	L320 K362 I364 K370	L320-Y366 HydrophobicContact CB-CE2 4.19Å; L320-Y366 HydrophobicContact CD2-CD1 3.49Å; L320-Y366 VanDerWaalsContact CD2-CD1 3.49Å; L320-Y366 HydrophobicContact CD2-CD2 4.08Å; L320-Y366 HydrophobicContact CD2-CE1 3.38Å; L320-Y366 HydrophobicContact CD2-CE2 3.97Å; L320-Y366 HydrophobicContact CD2-CG 3.83Å; L320-Y366 HydrophobicContact CG-CE2 4.45Å; L320-Y366 PolarHBondContact O-OH 3.42Å; K362-Y366 WeakPolarHBondContact O-CB 3.44Å; K362-Y366 PolarHBondContact O-N 2.91Å; K362-Y366 VanDerWaalsContact O-N 3.15Å; I364-Y366 VanDerWaalsContact C-N 3.28Å; I364-Y366 PolarHBondContact O-N 3.2Å; Y366-K370 HydrophobicContact CD1-CD 4.31Å; Y366-K370 HydrophobicContact CE1-CD 3.86Å; Y366-K370 VanDerWaalsContact CE1-CE 3.48Å; Y366-K370 VanDerWaalsContact CE1-NZ 3.33Å; Y366-K370 PolarHBondContact OH-NZ 2.88Å
367	F	81.4	Confident	75.8	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-91.7	-16.2	-176.3	-73.1	-80.3	0	0	0	113.5	L319 L320 L332 K333 H363 I364 G369 K370 W383	L319-F367 HydrophobicContact CD2-CE2 4.31Å; L319-F367 HydrophobicContact CD2-CZ 3.65Å; L320-F367 HydrophobicContact CD2-CE2 4.09Å; L320-F367 HydrophobicContact CD2-CZ 4.31Å; L332-F367 HydrophobicContact CB-CE1 4.27Å; K333-F367 HydrophobicContact CG-CD1 3.65Å; K333-F367 HydrophobicContact CG-CE1 4.08Å; K333-F367 HydrophobicContact CG-CG 4.33Å; H363-F367 AromaticContact CE1-CD2 3.35Å; H363-F367 WeakPolarHBondContact CE1-CD2 2.78Å; H363-F367 AromaticContact CE1-CE2 3.47Å; H363-F367 VanDerWaalsContact CE1-CE2 3.47Å; H363-F367 WeakPolarHBondContact CE1-CE2 3.13Å; H363-F367 AromaticContact ND1-CD2 3.41Å; H363-F367 WeakPolarHBondContact ND1-CD2 3.45Å; H363-F367 AromaticContact ND1-CE2 3.5Å; H363-F367 PolarHBondContact O-N 3.07Å; I364-F367 PolarHBondContact O-N 3.22Å; F367-G369 PolarHBondContact O-N 2.84Å; F367-K370 HydrophobicContact CD1-CD 4.25Å; F367-K370 PolarHBondContact O-N 3.49Å; F367-W383 HydrophobicContact CB-CH2 3.19Å; F367-W383 HydrophobicContact CB-CZ2 3.33Å; F367-W383 HydrophobicContact CB-CZ3 4.43Å; F367-W383 HydrophobicContact CG-CH2 4.39Å; F367-W383 HydrophobicContact CG-CZ2 4.1Å; F367-W383 WeakPolarHBondContact O-CH2 3.33Å; F367-W383 WeakPolarHBondContact O-CZ3 3.35Å
368	K	79	Confident	74.3	Confident	105 Å²	105	61.7 Å²	61.7	46%	0.457	32%	0.316	S	S	.	.	H	α-helix	trans	-53.4	-39.1	179.8	-179.1	178.9	179.7	-175.3	0	112.4	I364 H380 L384	I364-K368 WeakPolarHBondContact O-CB 3.43Å; I364-K368 PolarHBondContact O-N 2.99Å; K368-H380 PolarHBondContact O-CE1 3.3Å; K368-H380 PolarHBondContact O-NE2 3.27Å; K368-L384 HydrophobicContact CG-CD2 4.22Å
369	G	74.7	Confident	72.7	Confident	68 Å²	68	58.8 Å²	58.8	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4	178	0	0	0	0	0	115.3	F367 T371	F367-G369 PolarHBondContact O-N 2.84Å; G369-T371 PolarHBondContact O-N 3.07Å
370	K	76.1	Confident	71.2	Confident	51 Å²	51	58.9 Å²	58.9	22%	0.222	30%	0.295	C	S	.	.			trans	-95.2	88.7	-175.7	-65.6	-167.6	172.9	-156.8	0	110.3	P324 K333 Y366 F367	P324-K370 HydrophobicContact CG-CD 4.32Å; K333-K370 WeakPolarHBondContact CE-O 3.42Å; K333-K370 PolarHBondContact NZ-O 2.56Å; Y366-K370 HydrophobicContact CD1-CD 4.31Å; Y366-K370 HydrophobicContact CE1-CD 3.86Å; Y366-K370 VanDerWaalsContact CE1-CE 3.48Å; Y366-K370 VanDerWaalsContact CE1-NZ 3.33Å; Y366-K370 PolarHBondContact OH-NZ 2.88Å; F367-K370 HydrophobicContact CD1-CD 4.25Å; F367-K370 PolarHBondContact O-N 3.49Å
371	T	66.3	Low	69.7	Low	89 Å²	89	62.6 Å²	62.6	55%	0.546	31%	0.31	S	S	.	.			trans	-88.8	134.1	169.1	47.3	0	0	0	0	110.3	G369 E375 H380	G369-T371 PolarHBondContact O-N 3.07Å; T371-E375 WeakPolarHBondContact CA-OE2 3.43Å; T371-H380 HydrophobicContact CG2-CB 4.21Å; T371-H380 VanDerWaalsContact CG2-CE1 3.42Å; T371-H380 WeakPolarHBondContact CG2-CE1 3.31Å; T371-H380 VanDerWaalsContact CG2-ND1 3.27Å; T371-H380 WeakPolarHBondContact CG2-ND1 3.22Å
372	G	59.9	Low	68.3	Low	10 Å²	10	56.3 Å²	56.3	10%	0.103	29%	0.286	C	S	.	.			trans	-83.1	150.1	169.2	0	0	0	0	0	111.6	Y374 E375	G372-Y374 PolarHBondContact O-N 2.94Å; G372-E375 VanDerWaalsContact N-CD 3.33Å; G372-E375 PolarHBondContact N-OE2 3.4Å; G372-E375 VanDerWaalsContact N-OE2 3.13Å; G372-E375 WeakPolarHBondContact O-CB 3.5Å; G372-E375 PolarHBondContact O-N 3.4Å; G372-E375 VanDerWaalsContact O-N 3.12Å
373	L	52.7	Low	66.9	Low	128 Å²	128	51.3 Å²	51.3	67%	0.67	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.8	175.8	-70.1	-175	0	0	0	113.7	E326	E326-L373 HydrophobicContact CG-CD1 4.07Å; E326-L373 HydrophobicContact CG-CG 4.31Å; E326-L373 VanDerWaalsContact OE1-CD1 3.26Å; E326-L373 WeakPolarHBondContact OE1-CD1 3.32Å; E326-L373 WeakPolarHBondContact OE2-CD1 3.42Å
374	Y	53.3	Low	65.2	Low	84 Å²	84	52.1 Å²	52.1	33%	0.329	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.6	179.1	-53.7	-63.3	0	0	0	113.3	E326 H327 G372 V376 K471	E326-Y374 HydrophobicContact CB-CE2 4.27Å; H327-Y374 HydrophobicContact CB-CE2 4.28Å; G372-Y374 PolarHBondContact O-N 2.94Å; Y374-V376 PolarHBondContact O-N 3.26Å; Y374-K471 HydrophobicContact CD1-CD 4.17Å; Y374-K471 HydrophobicContact CD1-CG 4.31Å; Y374-K471 HydrophobicContact CE1-CD 4.12Å
375	E	51.9	Low	63.5	Low	23 Å²	23	51.3 Å²	51.3	11%	0.107	26%	0.264	C	S	.	.			trans	-71.1	117.9	174.4	-67.7	-177.3	167.5	0	0	107.4	K333 T371 G372 E379 H380	K333-E375 IonicContact NZ-OE1 2.81Å; K333-E375 PolarHBondContact NZ-OE1 3.35Å; K333-E375 IonicContact NZ-OE2 2.88Å; K333-E375 PolarHBondContact NZ-OE2 2.93Å; K333-E375 VanDerWaalsContact NZ-OE2 3.15Å; T371-E375 WeakPolarHBondContact CA-OE2 3.43Å; G372-E375 VanDerWaalsContact N-CD 3.33Å; G372-E375 PolarHBondContact N-OE2 3.4Å; G372-E375 VanDerWaalsContact N-OE2 3.13Å; G372-E375 WeakPolarHBondContact O-CB 3.5Å; G372-E375 PolarHBondContact O-N 3.4Å; G372-E375 VanDerWaalsContact O-N 3.12Å; E375-E379 WeakPolarHBondContact CA-OE2 3.4Å; E375-E379 HydrophobicContact CB-CB 4.37Å; E375-H380 IonicContact OE2-ND1 2.8Å
376	V	56.7	Low	61.9	Low	19 Å²	19	47.5 Å²	47.5	12%	0.115	24%	0.241	C	C	.	.			trans	-60.6	146.6	162.8	-162.1	0	0	0	0	107.1	Y374 F378 E379 H380 R475 L478 Y479	Y374-V376 PolarHBondContact O-N 3.26Å; V376-F378 HydrophobicContact CB-CD1 3.59Å; V376-F378 HydrophobicContact CB-CE1 3.32Å; V376-F378 HydrophobicContact CB-CG 4.4Å; V376-F378 HydrophobicContact CB-CZ 3.94Å; V376-F378 HydrophobicContact CG1-CD1 3.28Å; V376-F378 HydrophobicContact CG1-CE1 3.23Å; V376-F378 HydrophobicContact CG1-CG 4.39Å; V376-F378 HydrophobicContact CG1-CZ 4.3Å; V376-F378 HydrophobicContact CG2-CD1 4.47Å; V376-F378 HydrophobicContact CG2-CE1 3.72Å; V376-F378 HydrophobicContact CG2-CZ 4.07Å; V376-F378 PolarHBondContact O-N 3.11Å; V376-F378 VanDerWaalsContact O-N 3.13Å; V376-E379 HydrophobicContact CB-CG 4.14Å; V376-E379 HydrophobicContact CG2-CG 4.41Å; V376-E379 PolarHBondContact N-OE2 2.87Å; V376-E379 WeakPolarHBondContact O-CA 3.24Å; V376-E379 VanDerWaalsContact O-CB 3.24Å; V376-E379 WeakPolarHBondContact O-CB 3.33Å; V376-E379 PolarHBondContact O-N 3.48Å; V376-H380 PolarHBondContact O-N 3.18Å; V376-R475 HydrophobicContact CG2-CG 4.16Å; V376-L478 HydrophobicContact CG2-CD1 4.49Å; V376-Y479 WeakPolarHBondContact CG1-OH 3.1Å
377	E	55.9	Low	60.2	Low	140 Å²	140	44.4 Å²	44.4	65%	0.654	23%	0.23	S	C	*	.	H	α-helix	trans	-53.7	-39.6	-176.7	-66.7	-178.3	168.3	0	0	112.1	E379 H380 Y381	E377-E379 PolarHBondContact O-N 3.36Å; E377-H380 PolarHBondContact O-N 3.36Å; E377-Y381 WeakPolarHBondContact O-CD2 3.26Å; E377-Y381 PolarHBondContact O-N 3.08Å
378	F	58.2	Low	58.6	Low	3 Å²	3	44.5 Å²	44.5	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-21.3	174.4	77.2	-100	0	0	0	113	V376 Y381 A382 L478 Y479 E482	V376-F378 HydrophobicContact CB-CD1 3.59Å; V376-F378 HydrophobicContact CB-CE1 3.32Å; V376-F378 HydrophobicContact CB-CG 4.4Å; V376-F378 HydrophobicContact CB-CZ 3.94Å; V376-F378 HydrophobicContact CG1-CD1 3.28Å; V376-F378 HydrophobicContact CG1-CE1 3.23Å; V376-F378 HydrophobicContact CG1-CG 4.39Å; V376-F378 HydrophobicContact CG1-CZ 4.3Å; V376-F378 HydrophobicContact CG2-CD1 4.47Å; V376-F378 HydrophobicContact CG2-CE1 3.72Å; V376-F378 HydrophobicContact CG2-CZ 4.07Å; V376-F378 PolarHBondContact O-N 3.11Å; V376-F378 VanDerWaalsContact O-N 3.13Å; F378-Y381 CarbonylContact O-C 3.59Å; F378-A382 VanDerWaalsContact O-CA 3.31Å; F378-A382 WeakPolarHBondContact O-CA 3.38Å; F378-A382 WeakPolarHBondContact O-CB 3.48Å; F378-A382 PolarHBondContact O-N 3.43Å; F378-L478 HydrophobicContact CE2-CB 4.17Å; F378-L478 HydrophobicContact CZ-CB 3.69Å; F378-Y479 AromaticContact CD1-CD1 3.95Å; F378-Y479 HydrophobicContact CD1-CD1 3.95Å; F378-Y479 AromaticContact CD1-CE1 3.27Å; F378-Y479 HydrophobicContact CD1-CE1 3.27Å; F378-Y479 AromaticContact CD1-CZ 3.79Å; F378-Y479 AromaticContact CE1-CD1 3.41Å; F378-Y479 HydrophobicContact CE1-CD1 3.41Å; F378-Y479 VanDerWaalsContact CE1-CD1 3.41Å; F378-Y479 HydrophobicContact CE1-CD2 4.3Å; F378-Y479 AromaticContact CE1-CE1 3.02Å; F378-Y479 HydrophobicContact CE1-CE1 3.02Å; F378-Y479 HydrophobicContact CE1-CE2 4.03Å; F378-Y479 HydrophobicContact CE1-CG 4.02Å; F378-Y479 AromaticContact CE1-CZ 3.38Å; F378-Y479 HydrophobicContact CG-CE1 4.37Å; F378-Y479 AromaticContact CZ-CD1 3.92Å; F378-Y479 HydrophobicContact CZ-CD1 3.92Å; F378-Y479 AromaticContact CZ-CE1 3.99Å; F378-Y479 HydrophobicContact CZ-CE1 3.99Å; F378-Y479 HydrophobicContact CZ-CG 4.32Å; F378-E482 HydrophobicContact CD2-CG 3.98Å; F378-E482 HydrophobicContact CE2-CB 4.29Å; F378-E482 HydrophobicContact CE2-CG 4.21Å
379	E	58.2	Low	56.8	Low	13 Å²	13	43.1 Å²	43.1	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-81.2	-35.8	174.4	-67	-164.2	118.1	0	0	112.6	E375 V376 E377 Y381 A382 W383 R457 L478	E375-E379 WeakPolarHBondContact CA-OE2 3.4Å; E375-E379 HydrophobicContact CB-CB 4.37Å; V376-E379 HydrophobicContact CB-CG 4.14Å; V376-E379 HydrophobicContact CG2-CG 4.41Å; V376-E379 PolarHBondContact N-OE2 2.87Å; V376-E379 WeakPolarHBondContact O-CA 3.24Å; V376-E379 VanDerWaalsContact O-CB 3.24Å; V376-E379 WeakPolarHBondContact O-CB 3.33Å; V376-E379 PolarHBondContact O-N 3.48Å; E377-E379 PolarHBondContact O-N 3.36Å; E379-Y381 VanDerWaalsContact C-N 3.25Å; E379-A382 CarbonylContact O-C 3.54Å; E379-A382 PolarHBondContact O-N 3.31Å; E379-W383 WeakPolarHBondContact O-CA 3.04Å; E379-W383 WeakPolarHBondContact O-CB 2.92Å; E379-W383 PolarHBondContact O-N 3.07Å; E379-R457 VanDerWaalsContact CD-NH1 3.27Å; E379-R457 IonicContact OE1-CZ 3.19Å; E379-R457 IonicContact OE1-NH1 3.24Å; E379-R457 PolarHBondContact OE1-NH1 3.19Å; E379-R457 IonicContact OE1-NH2 2.71Å; E379-R457 PolarHBondContact OE1-NH2 3.28Å; E379-R457 IonicContact OE2-CZ 3.83Å; E379-R457 IonicContact OE2-NH1 3.81Å; E379-R457 PolarHBondContact OE2-NH1 3.26Å; E379-R457 IonicContact OE2-NH2 3.65Å; E379-R457 PolarHBondContact OE2-NH2 3.32Å; E379-L478 VanDerWaalsContact CD-CD1 3.44Å; E379-L478 HydrophobicContact CG-CD1 4.28Å; E379-L478 WeakPolarHBondContact OE1-CD1 3.36Å; E379-L478 WeakPolarHBondContact OE1-CD2 3.33Å
380	H	60.9	Low	56	Low	26 Å²	26	41 Å²	41	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-44.2	169.9	-179.5	70.3	0	0	0	109.1	K368 T371 E375 V376 E377 W383 L384	K368-H380 PolarHBondContact O-CE1 3.3Å; K368-H380 PolarHBondContact O-NE2 3.27Å; T371-H380 HydrophobicContact CG2-CB 4.21Å; T371-H380 VanDerWaalsContact CG2-CE1 3.42Å; T371-H380 WeakPolarHBondContact CG2-CE1 3.31Å; T371-H380 VanDerWaalsContact CG2-ND1 3.27Å; T371-H380 WeakPolarHBondContact CG2-ND1 3.22Å; E375-H380 IonicContact OE2-ND1 2.8Å; V376-H380 PolarHBondContact O-N 3.18Å; E377-H380 PolarHBondContact O-N 3.36Å; H380-W383 CarbonylContact O-C 3.57Å; H380-W383 PolarHBondContact O-N 3.46Å; H380-L384 VanDerWaalsContact NE2-CD1 3.31Å; H380-L384 WeakPolarHBondContact NE2-CD1 3.43Å; H380-L384 WeakPolarHBondContact O-CB 2.89Å; H380-L384 WeakPolarHBondContact O-CG 3.09Å; H380-L384 PolarHBondContact O-N 2.63Å
381	Y	58.1	Low	55.1	Low	83 Å²	83	39.6 Å²	39.6	33%	0.325	19%	0.189	S	C	.	.	H	α-helix	trans	-71.4	-31.5	172.3	-79.3	-88	0	0	0	113.1	E377 F378 E379 W383 L384 A385 Q427 L431	E377-Y381 WeakPolarHBondContact O-CD2 3.26Å; E377-Y381 PolarHBondContact O-N 3.08Å; F378-Y381 CarbonylContact O-C 3.59Å; E379-Y381 VanDerWaalsContact C-N 3.25Å; Y381-W383 PolarHBondContact O-N 3.46Å; Y381-L384 HydrophobicContact CD1-CD1 4.24Å; Y381-L384 HydrophobicContact CE1-CD1 4.39Å; Y381-L384 CarbonylContact O-C 3.51Å; Y381-L384 PolarHBondContact O-N 2.86Å; Y381-A385 WeakPolarHBondContact O-CA 3.48Å; Y381-A385 WeakPolarHBondContact O-CB 3.27Å; Y381-A385 PolarHBondContact O-N 3.42Å; Y381-Q427 HydrophobicContact CD1-CB 4.27Å; Y381-Q427 HydrophobicContact CE1-CB 4.44Å; Y381-L431 HydrophobicContact CD1-CD1 3.71Å; Y381-L431 HydrophobicContact CD2-CD1 3.03Å; Y381-L431 HydrophobicContact CD2-CG 4.49Å; Y381-L431 HydrophobicContact CE1-CD1 4.06Å; Y381-L431 HydrophobicContact CE2-CD1 3.43Å; Y381-L431 VanDerWaalsContact CE2-CD1 3.43Å; Y381-L431 HydrophobicContact CG-CD1 3.14Å
382	A	57.3	Low	55	Low	4 Å²	4	38.5 Å²	38.5	3%	0.033	18%	0.175	C	C	.	.	H	α-helix	trans	-77.1	-17.6	173	0	0	0	0	0	111.1	F378 E379 A385 R386 R428	F378-A382 VanDerWaalsContact O-CA 3.31Å; F378-A382 WeakPolarHBondContact O-CA 3.38Å; F378-A382 WeakPolarHBondContact O-CB 3.48Å; F378-A382 PolarHBondContact O-N 3.43Å; E379-A382 CarbonylContact O-C 3.54Å; E379-A382 PolarHBondContact O-N 3.31Å; A382-A385 CarbonylContact O-C 3.47Å; A382-R386 WeakPolarHBondContact O-CA 3.46Å; A382-R386 WeakPolarHBondContact O-CB 3.42Å; A382-R386 WeakPolarHBondContact O-CG 3.27Å; A382-R386 PolarHBondContact O-N 3.42Å; A382-R428 HydrophobicContact CB-CG 4.3Å
383	W	60.5	Low	55.7	Low	23 Å²	23	38.8 Å²	38.8	9%	0.087	18%	0.175	C	C	.	.	H	α-helix	trans	-79.4	-48.2	167.5	176.1	80.6	0	0	0	108.5	K333 F367 E379 H380 Y381 A385 R386 H387	K333-W383 HydrophobicContact CB-CZ2 4.19Å; K333-W383 HydrophobicContact CD-CD2 3.8Å; K333-W383 HydrophobicContact CD-CG 4.09Å; K333-W383 HydrophobicContact CD-CH2 4.5Å; K333-W383 HydrophobicContact CD-CZ2 3.59Å; K333-W383 VanDerWaalsContact CE-CE2 3.41Å; K333-W383 VanDerWaalsContact CE-CZ2 3.42Å; K333-W383 HydrophobicContact CG-CZ2 3.49Å; K333-W383 VanDerWaalsContact CG-CZ2 3.49Å; F367-W383 HydrophobicContact CB-CH2 3.19Å; F367-W383 HydrophobicContact CB-CZ2 3.33Å; F367-W383 HydrophobicContact CB-CZ3 4.43Å; F367-W383 HydrophobicContact CG-CH2 4.39Å; F367-W383 HydrophobicContact CG-CZ2 4.1Å; F367-W383 WeakPolarHBondContact O-CH2 3.33Å; F367-W383 WeakPolarHBondContact O-CZ3 3.35Å; E379-W383 WeakPolarHBondContact O-CA 3.04Å; E379-W383 WeakPolarHBondContact O-CB 2.92Å; E379-W383 PolarHBondContact O-N 3.07Å; H380-W383 CarbonylContact O-C 3.57Å; H380-W383 PolarHBondContact O-N 3.46Å; Y381-W383 PolarHBondContact O-N 3.46Å; W383-A385 PolarHBondContact O-N 2.67Å; W383-R386 PolarHBondContact O-N 2.81Å; W383-H387 VanDerWaalsContact C-CD2 3.46Å; W383-H387 AromaticContact CD2-CD2 3.43Å; W383-H387 VanDerWaalsContact CD2-CD2 3.43Å; W383-H387 AromaticContact CD2-NE2 3.37Å; W383-H387 AromaticContact CE2-CD2 3.42Å; W383-H387 VanDerWaalsContact CE2-CD2 3.42Å; W383-H387 AromaticContact CE2-CE1 3.77Å; W383-H387 AromaticContact CE2-NE2 2.82Å; W383-H387 AromaticContact CE3-CD2 3.6Å; W383-H387 AromaticContact CE3-NE2 3.7Å; W383-H387 AromaticContact CH2-CD2 3.64Å; W383-H387 AromaticContact CH2-NE2 2.95Å; W383-H387 WeakPolarHBondContact CH2-NE2 3.02Å; W383-H387 AromaticContact CZ2-CD2 3.63Å; W383-H387 AromaticContact CZ2-CE1 3.58Å; W383-H387 AromaticContact CZ2-NE2 2.68Å; W383-H387 WeakPolarHBondContact CZ2-NE2 3.19Å; W383-H387 AromaticContact CZ3-CD2 3.68Å; W383-H387 AromaticContact CZ3-NE2 3.5Å; W383-H387 WeakPolarHBondContact CZ3-NE2 3.21Å; W383-H387 AromaticContact NE1-CD2 3.85Å; W383-H387 AromaticContact NE1-CE1 3.92Å; W383-H387 AromaticContact NE1-NE2 3.31Å; W383-H387 PolarHBondContact NE1-NE2 2.83Å; W383-H387 WeakPolarHBondContact O-CA 3.35Å; W383-H387 WeakPolarHBondContact O-CB 3.27Å; W383-H387 PolarHBondContact O-CD2 2.68Å; W383-H387 PolarHBondContact O-N 2.67Å
384	L	52.9	Low	57.1	Low	16 Å²	16	33 Å²	33	8%	0.084	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-30.6	169	-70.2	174.9	0	0	0	113	K368 H380 Y381 H387	K368-L384 HydrophobicContact CG-CD2 4.22Å; H380-L384 VanDerWaalsContact NE2-CD1 3.31Å; H380-L384 WeakPolarHBondContact NE2-CD1 3.43Å; H380-L384 WeakPolarHBondContact O-CB 2.89Å; H380-L384 WeakPolarHBondContact O-CG 3.09Å; H380-L384 PolarHBondContact O-N 2.63Å; Y381-L384 HydrophobicContact CD1-CD1 4.24Å; Y381-L384 HydrophobicContact CE1-CD1 4.39Å; Y381-L384 CarbonylContact O-C 3.51Å; Y381-L384 PolarHBondContact O-N 2.86Å; L384-H387 WeakPolarHBondContact O-CB 3.29Å
385	A	48.6	Very low	58.5	Low	1 Å²	1	29 Å²	29	1%	0.008	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	15.1	-176.2	0	0	0	0	0	113.2	Y381 A382 W383 I388 Y424 R428	Y381-A385 WeakPolarHBondContact O-CA 3.48Å; Y381-A385 WeakPolarHBondContact O-CB 3.27Å; Y381-A385 PolarHBondContact O-N 3.42Å; A382-A385 CarbonylContact O-C 3.47Å; W383-A385 PolarHBondContact O-N 2.67Å; A385-I388 VanDerWaalsContact C-CG1 3.49Å; A385-I388 VanDerWaalsContact CA-CG1 3.46Å; A385-I388 HydrophobicContact CB-CD1 3.38Å; A385-I388 HydrophobicContact CB-CG1 4.22Å; A385-I388 WeakPolarHBondContact O-CB 3.47Å; A385-I388 WeakPolarHBondContact O-CD1 3.3Å; A385-I388 WeakPolarHBondContact O-CG1 3.35Å; A385-Y424 WeakPolarHBondContact CB-O 3.35Å; A385-R428 HydrophobicContact CB-CB 3.43Å; A385-R428 VanDerWaalsContact CB-CB 3.43Å; A385-R428 HydrophobicContact CB-CG 3.98Å
386	R	52.6	Low	60	Low	34 Å²	34	32 Å²	32	13%	0.128	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-4.9	157.5	-61.4	-168.7	-173	101.2	-8.3	111	D73 S75 A382 W383 I388 F389 R428 E482	D73-R386 IonicContact OD1-CZ 2.94Å; D73-R386 IonicContact OD1-NH1 3.6Å; D73-R386 WeakPolarHBondContact OD2-CD 3.41Å; D73-R386 IonicContact OD2-CZ 3.82Å; D73-R386 IonicContact OD2-NE 3.51Å; D73-R386 PolarHBondContact OD2-NE 3.46Å; D73-R386 IonicContact OD2-NH1 3.72Å; D73-R386 PolarHBondContact OD2-NH1 2.63Å; D73-R386 VanDerWaalsContact OD2-NH1 3.16Å; D73-R386 IonicContact OD2-NH2 3.59Å; D73-R386 PolarHBondContact OD2-NH2 2.75Å; S75-R386 WeakPolarHBondContact OG-CD 3.27Å; A382-R386 WeakPolarHBondContact O-CA 3.46Å; A382-R386 WeakPolarHBondContact O-CB 3.42Å; A382-R386 WeakPolarHBondContact O-CG 3.27Å; A382-R386 PolarHBondContact O-N 3.42Å; W383-R386 PolarHBondContact O-N 2.81Å; R386-I388 VanDerWaalsContact CA-N 3.32Å; R386-I388 PolarHBondContact O-N 3.05Å; R386-F389 WeakPolarHBondContact O-CA 3.16Å; R386-F389 WeakPolarHBondContact O-CB 3.31Å; R386-F389 PolarHBondContact O-N 3.18Å; R386-R428 VanDerWaalsContact CZ-CZ 3.43Å; R386-R428 VanDerWaalsContact NE-NH1 3.14Å; R386-E482 IonicContact CZ-OE2 3.96Å; R386-E482 IonicContact NH1-OE2 3.27Å; R386-E482 IonicContact NH2-OE2 2.68Å; R386-E482 PolarHBondContact NH2-OE2 3.38Å
387	H	50	Low	61.4	Low	8 Å²	8	32.1 Å²	32.1	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-46.7	-23.2	132.9	-86.8	-62	0	0	0	110.9	H363 W383 L384 F389 R390 F391	H363-H387 AromaticContact NE2-CE1 3.92Å; W383-H387 VanDerWaalsContact C-CD2 3.46Å; W383-H387 AromaticContact CD2-CD2 3.43Å; W383-H387 VanDerWaalsContact CD2-CD2 3.43Å; W383-H387 AromaticContact CD2-NE2 3.37Å; W383-H387 AromaticContact CE2-CD2 3.42Å; W383-H387 VanDerWaalsContact CE2-CD2 3.42Å; W383-H387 AromaticContact CE2-CE1 3.77Å; W383-H387 AromaticContact CE2-NE2 2.82Å; W383-H387 AromaticContact CE3-CD2 3.6Å; W383-H387 AromaticContact CE3-NE2 3.7Å; W383-H387 AromaticContact CH2-CD2 3.64Å; W383-H387 AromaticContact CH2-NE2 2.95Å; W383-H387 WeakPolarHBondContact CH2-NE2 3.02Å; W383-H387 AromaticContact CZ2-CD2 3.63Å; W383-H387 AromaticContact CZ2-CE1 3.58Å; W383-H387 AromaticContact CZ2-NE2 2.68Å; W383-H387 WeakPolarHBondContact CZ2-NE2 3.19Å; W383-H387 AromaticContact CZ3-CD2 3.68Å; W383-H387 AromaticContact CZ3-NE2 3.5Å; W383-H387 WeakPolarHBondContact CZ3-NE2 3.21Å; W383-H387 AromaticContact NE1-CD2 3.85Å; W383-H387 AromaticContact NE1-CE1 3.92Å; W383-H387 AromaticContact NE1-NE2 3.31Å; W383-H387 PolarHBondContact NE1-NE2 2.83Å; W383-H387 WeakPolarHBondContact O-CA 3.35Å; W383-H387 WeakPolarHBondContact O-CB 3.27Å; W383-H387 PolarHBondContact O-CD2 2.68Å; W383-H387 PolarHBondContact O-N 2.67Å; L384-H387 WeakPolarHBondContact O-CB 3.29Å; H387-F389 VanDerWaalsContact C-N 3.29Å; H387-F389 PolarHBondContact O-N 3.31Å; H387-R390 CarbonylContact O-C 3.47Å; H387-R390 VanDerWaalsContact O-C 3.27Å; H387-R390 VanDerWaalsContact O-CA 3.24Å; H387-R390 WeakPolarHBondContact O-CA 3.35Å; H387-R390 WeakPolarHBondContact O-CB 3.41Å; H387-R390 PolarHBondContact O-N 3.48Å; H387-F391 PolarHBondContact O-N 2.78Å
388	I	47.8	Very low	63	Low	7 Å²	7	25.5 Å²	25.5	4%	0.036	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-36.2	163.1	-71.4	173	0	0	0	112.7	A385 R386 R390 W392 A421 Y424 M425 L494	A385-I388 VanDerWaalsContact C-CG1 3.49Å; A385-I388 VanDerWaalsContact CA-CG1 3.46Å; A385-I388 HydrophobicContact CB-CD1 3.38Å; A385-I388 HydrophobicContact CB-CG1 4.22Å; A385-I388 WeakPolarHBondContact O-CB 3.47Å; A385-I388 WeakPolarHBondContact O-CD1 3.3Å; A385-I388 WeakPolarHBondContact O-CG1 3.35Å; R386-I388 VanDerWaalsContact CA-N 3.32Å; R386-I388 PolarHBondContact O-N 3.05Å; I388-R390 PolarHBondContact O-N 2.91Å; I388-W392 VanDerWaalsContact O-CA 3.29Å; I388-W392 WeakPolarHBondContact O-CA 3.42Å; I388-W392 WeakPolarHBondContact O-CB 3.27Å; I388-W392 PolarHBondContact O-N 3.23Å; I388-A421 HydrophobicContact CB-CB 4.27Å; I388-A421 WeakPolarHBondContact CD1-O 3.25Å; I388-A421 HydrophobicContact CG1-CB 4.1Å; I388-A421 VanDerWaalsContact CG1-O 3.26Å; I388-A421 WeakPolarHBondContact CG1-O 3.17Å; I388-A421 HydrophobicContact CG2-CB 3.91Å; I388-Y424 VanDerWaalsContact CD1-C 3.49Å; I388-M425 HydrophobicContact CB-SD 4.47Å; I388-M425 VanDerWaalsContact CD1-CA 3.46Å; I388-M425 HydrophobicContact CD1-CB 3.72Å; I388-M425 HydrophobicContact CD1-CG 3.34Å; I388-M425 HydrophobicContact CD1-SD 3.52Å; I388-M425 VanDerWaalsContact CD1-SD 3.52Å; I388-M425 HydrophobicContact CG1-CG 4.48Å; I388-M425 HydrophobicContact CG2-CG 3.8Å; I388-M425 HydrophobicContact CG2-SD 3.99Å; I388-L494 HydrophobicContact CG2-CD1 3.52Å
389	F	41.2	Very low	64.4	Low	76 Å²	76	26.8 Å²	26.8	33%	0.333	12%	0.12	S	C	.	.	H	α-helix	trans	-71.9	-18.3	169.3	-141.7	-81.2	0	0	0	111	R386 H387 W392 V393	R386-F389 WeakPolarHBondContact O-CA 3.16Å; R386-F389 WeakPolarHBondContact O-CB 3.31Å; R386-F389 PolarHBondContact O-N 3.18Å; H387-F389 VanDerWaalsContact C-N 3.29Å; H387-F389 PolarHBondContact O-N 3.31Å; F389-W392 HydrophobicContact CD1-CE3 4.11Å; F389-W392 HydrophobicContact CD1-CZ3 4.44Å; F389-W392 AromaticContact CD2-CE3 3.57Å; F389-W392 HydrophobicContact CD2-CE3 3.57Å; F389-W392 AromaticContact CD2-CZ3 3.75Å; F389-W392 HydrophobicContact CD2-CZ3 3.75Å; F389-W392 AromaticContact CE1-CE3 3.92Å; F389-W392 HydrophobicContact CE1-CE3 3.92Å; F389-W392 AromaticContact CE1-CZ3 3.83Å; F389-W392 HydrophobicContact CE1-CZ3 3.83Å; F389-W392 AromaticContact CE2-CE3 3.45Å; F389-W392 HydrophobicContact CE2-CE3 3.45Å; F389-W392 VanDerWaalsContact CE2-CE3 3.45Å; F389-W392 HydrophobicContact CE2-CH2 4.25Å; F389-W392 AromaticContact CE2-CZ3 3.09Å; F389-W392 HydrophobicContact CE2-CZ3 3.09Å; F389-W392 AromaticContact CG-CE3 3.92Å; F389-W392 HydrophobicContact CG-CE3 3.92Å; F389-W392 HydrophobicContact CG-CZ3 4.39Å; F389-W392 AromaticContact CZ-CE3 3.6Å; F389-W392 HydrophobicContact CZ-CE3 3.6Å; F389-W392 AromaticContact CZ-CH2 3.95Å; F389-W392 HydrophobicContact CZ-CH2 3.95Å; F389-W392 AromaticContact CZ-CZ3 3.1Å; F389-W392 HydrophobicContact CZ-CZ3 3.1Å; F389-V393 HydrophobicContact CD1-CB 4.47Å; F389-V393 HydrophobicContact CD1-CG2 3.26Å; F389-V393 HydrophobicContact CE1-CG2 3.44Å; F389-V393 VanDerWaalsContact CE1-CG2 3.44Å; F389-V393 HydrophobicContact CG-CG2 4.42Å; F389-V393 VanDerWaalsContact O-CA 3.29Å; F389-V393 WeakPolarHBondContact O-CA 3.44Å; F389-V393 WeakPolarHBondContact O-CB 3.27Å; F389-V393 WeakPolarHBondContact O-CG2 3.46Å; F389-V393 PolarHBondContact O-N 3Å
390	R	56.4	Low	65.8	Low	23 Å²	23	27.1 Å²	27.1	9%	0.087	13%	0.127	C	C	.	.	H	α-helix	trans	-92.7	-29.7	171.2	-65.6	-164.5	-170.9	-104.1	8.2	114.6	V334 G337 H387 I388 F394	V334-R390 PolarHBondContact O-NH2 3.27Å; V334-R390 VanDerWaalsContact O-NH2 3.17Å; G337-R390 PolarHBondContact O-NH1 3.35Å; H387-R390 CarbonylContact O-C 3.47Å; H387-R390 VanDerWaalsContact O-C 3.27Å; H387-R390 VanDerWaalsContact O-CA 3.24Å; H387-R390 WeakPolarHBondContact O-CA 3.35Å; H387-R390 WeakPolarHBondContact O-CB 3.41Å; H387-R390 PolarHBondContact O-N 3.48Å; I388-R390 PolarHBondContact O-N 2.91Å; R390-F394 VanDerWaalsContact O-CA 3.26Å; R390-F394 WeakPolarHBondContact O-CA 3.47Å; R390-F394 WeakPolarHBondContact O-CB 3.41Å; R390-F394 PolarHBondContact O-N 2.79Å
391	F	57.9	Low	67	Low	22 Å²	22	26.3 Å²	26.3	10%	0.096	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-41.1	164.5	-89.9	-93	0	0	0	108.5	F360 I364 H387 F394 A395 Y417 T420 A421	F360-F391 AromaticContact CE1-CD1 3.78Å; F360-F391 HydrophobicContact CE1-CD1 3.78Å; F360-F391 HydrophobicContact CE1-CD2 4.19Å; F360-F391 AromaticContact CE1-CE1 3.45Å; F360-F391 HydrophobicContact CE1-CE1 3.45Å; F360-F391 VanDerWaalsContact CE1-CE1 3.45Å; F360-F391 AromaticContact CE1-CE2 3.91Å; F360-F391 HydrophobicContact CE1-CE2 3.91Å; F360-F391 HydrophobicContact CE1-CG 4.12Å; F360-F391 AromaticContact CE1-CZ 3.51Å; F360-F391 HydrophobicContact CE1-CZ 3.51Å; F360-F391 AromaticContact CZ-CD1 3.92Å; F360-F391 HydrophobicContact CZ-CD1 3.92Å; F360-F391 AromaticContact CZ-CD2 3.74Å; F360-F391 HydrophobicContact CZ-CD2 3.74Å; F360-F391 AromaticContact CZ-CE1 3.98Å; F360-F391 HydrophobicContact CZ-CE1 3.98Å; F360-F391 AromaticContact CZ-CE2 3.8Å; F360-F391 HydrophobicContact CZ-CE2 3.8Å; F360-F391 AromaticContact CZ-CG 3.78Å; F360-F391 HydrophobicContact CZ-CG 3.78Å; F360-F391 AromaticContact CZ-CZ 3.92Å; F360-F391 HydrophobicContact CZ-CZ 3.92Å; I364-F391 HydrophobicContact CD1-CE2 3.76Å; I364-F391 HydrophobicContact CD1-CZ 4.42Å; I364-F391 HydrophobicContact CG1-CE2 3.91Å; I364-F391 HydrophobicContact CG1-CZ 4.07Å; H387-F391 PolarHBondContact O-N 2.78Å; F391-F394 CarbonylContact O-C 3.47Å; F391-A395 WeakPolarHBondContact O-CA 3.41Å; F391-A395 WeakPolarHBondContact O-CB 3.13Å; F391-A395 PolarHBondContact O-N 3.19Å; F391-Y417 AromaticContact CD1-CD1 3.43Å; F391-Y417 HydrophobicContact CD1-CD1 3.43Å; F391-Y417 VanDerWaalsContact CD1-CD1 3.43Å; F391-Y417 HydrophobicContact CD1-CE1 4.35Å; F391-Y417 HydrophobicContact CD1-CG 4.15Å; F391-Y417 AromaticContact CE1-CD1 3.66Å; F391-Y417 HydrophobicContact CE1-CD1 3.66Å; F391-Y417 HydrophobicContact CE1-CE1 4.16Å; F391-T420 HydrophobicContact CD1-CG2 4.47Å; F391-T420 HydrophobicContact CE1-CG2 4.09Å; F391-T420 HydrophobicContact CZ-CG2 4.32Å; F391-A421 HydrophobicContact CB-CB 3.96Å
392	W	64.3	Low	68.4	Low	66 Å²	66	24.4 Å²	24.4	25%	0.25	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-54.2	170.8	177.7	30.1	0	0	0	110.7	I388 F389 F394 A395 D396 Y418 L494	I388-W392 VanDerWaalsContact O-CA 3.29Å; I388-W392 WeakPolarHBondContact O-CA 3.42Å; I388-W392 WeakPolarHBondContact O-CB 3.27Å; I388-W392 PolarHBondContact O-N 3.23Å; F389-W392 HydrophobicContact CD1-CE3 4.11Å; F389-W392 HydrophobicContact CD1-CZ3 4.44Å; F389-W392 AromaticContact CD2-CE3 3.57Å; F389-W392 HydrophobicContact CD2-CE3 3.57Å; F389-W392 AromaticContact CD2-CZ3 3.75Å; F389-W392 HydrophobicContact CD2-CZ3 3.75Å; F389-W392 AromaticContact CE1-CE3 3.92Å; F389-W392 HydrophobicContact CE1-CE3 3.92Å; F389-W392 AromaticContact CE1-CZ3 3.83Å; F389-W392 HydrophobicContact CE1-CZ3 3.83Å; F389-W392 AromaticContact CE2-CE3 3.45Å; F389-W392 HydrophobicContact CE2-CE3 3.45Å; F389-W392 VanDerWaalsContact CE2-CE3 3.45Å; F389-W392 HydrophobicContact CE2-CH2 4.25Å; F389-W392 AromaticContact CE2-CZ3 3.09Å; F389-W392 HydrophobicContact CE2-CZ3 3.09Å; F389-W392 AromaticContact CG-CE3 3.92Å; F389-W392 HydrophobicContact CG-CE3 3.92Å; F389-W392 HydrophobicContact CG-CZ3 4.39Å; F389-W392 AromaticContact CZ-CE3 3.6Å; F389-W392 HydrophobicContact CZ-CE3 3.6Å; F389-W392 AromaticContact CZ-CH2 3.95Å; F389-W392 HydrophobicContact CZ-CH2 3.95Å; F389-W392 AromaticContact CZ-CZ3 3.1Å; F389-W392 HydrophobicContact CZ-CZ3 3.1Å; W392-F394 VanDerWaalsContact C-N 3.26Å; W392-F394 PolarHBondContact O-N 3.43Å; W392-A395 CarbonylContact O-C 3.54Å; W392-A395 WeakPolarHBondContact O-CA 3.5Å; W392-A395 WeakPolarHBondContact O-CB 2.68Å; W392-A395 PolarHBondContact O-N 3.26Å; W392-D396 WeakPolarHBondContact O-CB 3.38Å; W392-D396 PolarHBondContact O-N 3.33Å; W392-Y418 AromaticContact CD1-CD1 3.97Å; W392-Y418 AromaticContact CD1-CE1 3.28Å; W392-Y418 HydrophobicContact CG-CE1 4.41Å; W392-Y418 AromaticContact NE1-CE1 3.74Å; W392-L494 HydrophobicContact CB-CD2 3.9Å; W392-L494 HydrophobicContact CG-CD2 3.9Å
393	V	74.5	Confident	69.8	Low	15 Å²	15	31.4 Å²	31.4	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-35.6	176.6	167.8	0	0	0	0	110.8	L77 Y341 F389 D396 L397	L77-V393 HydrophobicContact CD1-CB 4.23Å; L77-V393 HydrophobicContact CD1-CG1 3.63Å; L77-V393 HydrophobicContact CD1-CG2 4.1Å; Y341-V393 HydrophobicContact CD2-CG1 3.55Å; Y341-V393 HydrophobicContact CE2-CG1 3.33Å; F389-V393 HydrophobicContact CD1-CB 4.47Å; F389-V393 HydrophobicContact CD1-CG2 3.26Å; F389-V393 HydrophobicContact CE1-CG2 3.44Å; F389-V393 VanDerWaalsContact CE1-CG2 3.44Å; F389-V393 HydrophobicContact CG-CG2 4.42Å; F389-V393 VanDerWaalsContact O-CA 3.29Å; F389-V393 WeakPolarHBondContact O-CA 3.44Å; F389-V393 WeakPolarHBondContact O-CB 3.27Å; F389-V393 WeakPolarHBondContact O-CG2 3.46Å; F389-V393 PolarHBondContact O-N 3Å; V393-D396 PolarHBondContact O-N 3.46Å; V393-L397 WeakPolarHBondContact O-CA 2.95Å; V393-L397 WeakPolarHBondContact O-CB 3.01Å; V393-L397 PolarHBondContact O-N 2.96Å
394	F	81.6	Confident	71	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-40.4	172.1	179.4	-94.1	0	0	0	110.6	C344 F348 L357 F360 R390 F391 W392 L397 F398 Y417	C344-F394 HydrophobicContact CB-CD2 3.96Å; C344-F394 HydrophobicContact CB-CE2 3.83Å; F348-F394 HydrophobicContact CE2-CD2 4.02Å; F348-F394 AromaticContact CE2-CE2 3.61Å; F348-F394 HydrophobicContact CE2-CE2 3.61Å; F348-F394 HydrophobicContact CE2-CZ 4.06Å; F348-F394 HydrophobicContact CZ-CD2 4.27Å; F348-F394 HydrophobicContact CZ-CE1 4.19Å; F348-F394 AromaticContact CZ-CE2 3.52Å; F348-F394 HydrophobicContact CZ-CE2 3.52Å; F348-F394 AromaticContact CZ-CZ 3.48Å; F348-F394 HydrophobicContact CZ-CZ 3.48Å; F348-F394 VanDerWaalsContact CZ-CZ 3.48Å; L357-F394 HydrophobicContact CD2-CE1 3.75Å; L357-F394 HydrophobicContact CD2-CZ 3.55Å; F360-F394 HydrophobicContact CB-CD2 4.39Å; F360-F394 HydrophobicContact CB-CE2 3.96Å; F360-F394 HydrophobicContact CB-CZ 4.24Å; F360-F394 HydrophobicContact CD1-CD1 4.49Å; F360-F394 HydrophobicContact CD2-CB 4.32Å; F360-F394 AromaticContact CD2-CD2 3.77Å; F360-F394 HydrophobicContact CD2-CD2 3.77Å; F360-F394 HydrophobicContact CD2-CE2 4.21Å; F360-F394 HydrophobicContact CD2-CG 4.02Å; F360-F394 HydrophobicContact CE2-CB 3.91Å; F360-F394 HydrophobicContact CE2-CD2 4.24Å; F360-F394 HydrophobicContact CE2-CG 4.05Å; F360-F394 HydrophobicContact CG-CD2 4.06Å; F360-F394 HydrophobicContact CG-CE2 4.07Å; F360-F394 HydrophobicContact CG-CG 4.3Å; F360-F394 HydrophobicContact CG-CZ 4.33Å; F360-F394 HydrophobicContact CZ-CB 4.25Å; F360-F394 HydrophobicContact CZ-CG 4.37Å; R390-F394 VanDerWaalsContact O-CA 3.26Å; R390-F394 WeakPolarHBondContact O-CA 3.47Å; R390-F394 WeakPolarHBondContact O-CB 3.41Å; R390-F394 PolarHBondContact O-N 2.79Å; F391-F394 CarbonylContact O-C 3.47Å; W392-F394 VanDerWaalsContact C-N 3.26Å; W392-F394 PolarHBondContact O-N 3.43Å; F394-L397 PolarHBondContact O-N 3.22Å; F394-F398 HydrophobicContact CE1-CD1 4.19Å; F394-F398 WeakPolarHBondContact O-CA 3.41Å; F394-F398 WeakPolarHBondContact O-CB 3.46Å; F394-F398 PolarHBondContact O-N 3.45Å; F394-Y417 AromaticContact CD1-CD1 3.57Å; F394-Y417 HydrophobicContact CD1-CD1 3.57Å; F394-Y417 HydrophobicContact CD1-CD2 4.48Å; F394-Y417 AromaticContact CD1-CE1 3.79Å; F394-Y417 HydrophobicContact CD1-CE1 3.79Å; F394-Y417 AromaticContact CD1-CG 4Å; F394-Y417 HydrophobicContact CD1-CG 4Å; F394-Y417 AromaticContact CE1-CD1 3.76Å; F394-Y417 HydrophobicContact CE1-CD1 3.76Å; F394-Y417 HydrophobicContact CE1-CD2 4.31Å; F394-Y417 AromaticContact CE1-CE1 3.49Å; F394-Y417 HydrophobicContact CE1-CE1 3.49Å; F394-Y417 VanDerWaalsContact CE1-CE1 3.49Å; F394-Y417 HydrophobicContact CE1-CE2 4.07Å; F394-Y417 HydrophobicContact CE1-CG 4.21Å; F394-Y417 AromaticContact CE1-CZ 3.68Å; F394-Y417 HydrophobicContact CZ-CE1 4.49Å
395	A	82.2	Confident	72.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.7	-35.5	177	0	0	0	0	0	111.7	F391 W392 F398 E399 P414 Y418	F391-A395 WeakPolarHBondContact O-CA 3.41Å; F391-A395 WeakPolarHBondContact O-CB 3.13Å; F391-A395 PolarHBondContact O-N 3.19Å; W392-A395 CarbonylContact O-C 3.54Å; W392-A395 WeakPolarHBondContact O-CA 3.5Å; W392-A395 WeakPolarHBondContact O-CB 2.68Å; W392-A395 PolarHBondContact O-N 3.26Å; A395-F398 PolarHBondContact O-N 2.82Å; A395-E399 WeakPolarHBondContact O-CA 3.29Å; A395-E399 WeakPolarHBondContact O-CB 3.21Å; A395-E399 PolarHBondContact O-N 3.43Å; A395-P414 HydrophobicContact CB-CB 4.26Å; A395-Y418 HydrophobicContact CB-CD1 4.15Å; A395-Y418 HydrophobicContact CB-CD2 3.81Å; A395-Y418 HydrophobicContact CB-CE1 3.97Å; A395-Y418 HydrophobicContact CB-CE2 3.56Å; A395-Y418 HydrophobicContact CB-CG 4.06Å
396	D	84.4	Confident	74.3	Confident	85 Å²	85	40.9 Å²	40.9	46%	0.455	21%	0.211	S	C	.	.	H	α-helix	trans	-75	-39.3	176.6	-172.3	59.6	0	0	0	110.3	W392 V393 F398 G400	W392-D396 WeakPolarHBondContact O-CB 3.38Å; W392-D396 PolarHBondContact O-N 3.33Å; V393-D396 PolarHBondContact O-N 3.46Å; D396-F398 VanDerWaalsContact C-N 3.34Å; D396-G400 WeakPolarHBondContact O-CA 3.4Å; D396-G400 PolarHBondContact O-N 2.99Å
397	L	85.9	Confident	75.8	Confident	23 Å²	23	46.6 Å²	46.6	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-39.8	170.3	179.4	68.7	0	0	0	111	Y341 C344 N345 F348 V393 F394 A401	Y341-L397 HydrophobicContact CD2-CD2 4.26Å; Y341-L397 HydrophobicContact CE2-CD2 4.11Å; C344-L397 HydrophobicContact CB-CD2 4.16Å; N345-L397 HydrophobicContact CB-CD1 3.86Å; N345-L397 HydrophobicContact CB-CD2 3.85Å; N345-L397 HydrophobicContact CB-CG 4.44Å; N345-L397 WeakPolarHBondContact OD1-CD1 3.39Å; F348-L397 HydrophobicContact CD2-CD2 3.78Å; F348-L397 HydrophobicContact CD2-CG 3.69Å; F348-L397 HydrophobicContact CE2-CD2 3.87Å; F348-L397 HydrophobicContact CE2-CG 3.94Å; V393-L397 WeakPolarHBondContact O-CA 2.95Å; V393-L397 WeakPolarHBondContact O-CB 3.01Å; V393-L397 PolarHBondContact O-N 2.96Å; F394-L397 PolarHBondContact O-N 3.22Å; L397-A401 WeakPolarHBondContact O-CB 2.92Å; L397-A401 PolarHBondContact O-N 2.94Å
398	F	88.9	Confident	77.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.9	-46.3	177.1	-173.1	-171.6	0	0	0	109.9	F348 L353 L357 F394 A395 D396 G400 A401 V402 L406 T408 Q412 P414 Y417	F348-F398 HydrophobicContact CD1-CD2 4.45Å; F348-F398 HydrophobicContact CE1-CB 4.31Å; F348-F398 AromaticContact CE1-CD2 3.7Å; F348-F398 HydrophobicContact CE1-CD2 3.7Å; F348-F398 HydrophobicContact CE1-CE2 4.23Å; F348-F398 HydrophobicContact CE1-CG 4.04Å; F348-F398 HydrophobicContact CE2-CB 4.21Å; F348-F398 HydrophobicContact CZ-CB 3.74Å; F348-F398 HydrophobicContact CZ-CD2 4.01Å; F348-F398 AromaticContact CZ-CG 3.87Å; F348-F398 HydrophobicContact CZ-CG 3.87Å; L353-F398 HydrophobicContact CD1-CD2 4.23Å; L353-F398 HydrophobicContact CD1-CE1 4.22Å; L353-F398 HydrophobicContact CD1-CE2 3.46Å; L353-F398 VanDerWaalsContact CD1-CE2 3.46Å; L353-F398 HydrophobicContact CD1-CZ 3.45Å; L353-F398 VanDerWaalsContact CD1-CZ 3.45Å; L353-F398 HydrophobicContact CD2-CE2 4.42Å; L353-F398 HydrophobicContact CD2-CZ 4.21Å; L353-F398 HydrophobicContact CG-CZ 4.48Å; L357-F398 HydrophobicContact CD2-CE1 4.25Å; F394-F398 HydrophobicContact CE1-CD1 4.19Å; F394-F398 WeakPolarHBondContact O-CA 3.41Å; F394-F398 WeakPolarHBondContact O-CB 3.46Å; F394-F398 PolarHBondContact O-N 3.45Å; A395-F398 PolarHBondContact O-N 2.82Å; D396-F398 VanDerWaalsContact C-N 3.34Å; F398-G400 VanDerWaalsContact C-N 3.32Å; F398-G400 PolarHBondContact O-N 3.46Å; F398-A401 CarbonylContact O-C 3.27Å; F398-A401 WeakPolarHBondContact O-CA 3.46Å; F398-A401 WeakPolarHBondContact O-CB 3.18Å; F398-A401 PolarHBondContact O-N 3.27Å; F398-V402 HydrophobicContact CD2-CG2 4.01Å; F398-V402 HydrophobicContact CE2-CG2 3.98Å; F398-V402 WeakPolarHBondContact O-CG2 3.13Å; F398-V402 PolarHBondContact O-N 2.94Å; F398-L406 HydrophobicContact CD2-CD2 4.06Å; F398-L406 HydrophobicContact CE2-CD2 3.87Å; F398-T408 HydrophobicContact CE2-CG2 3.47Å; F398-T408 VanDerWaalsContact CE2-CG2 3.47Å; F398-T408 HydrophobicContact CZ-CG2 3.59Å; F398-Q412 WeakPolarHBondContact CZ-O 3.16Å; F398-P414 HydrophobicContact CB-CG 4.15Å; F398-P414 HydrophobicContact CD1-CB 4.34Å; F398-P414 HydrophobicContact CD1-CG 3.83Å; F398-P414 HydrophobicContact CD2-CG 4.34Å; F398-P414 HydrophobicContact CE1-CG 4.32Å; F398-P414 HydrophobicContact CG-CG 3.84Å; F398-Y417 HydrophobicContact CD1-CD2 4.34Å; F398-Y417 HydrophobicContact CD1-CE2 4.3Å; F398-Y417 HydrophobicContact CE1-CE2 4.19Å
399	E	88.4	Confident	79	Confident	30 Å²	30	51.9 Å²	51.9	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-44.2	172.7	173.9	158.2	-156.2	0	0	110.7	A395 A401 V402 Q403 P414 Y418 Q501 K504	A395-E399 WeakPolarHBondContact O-CA 3.29Å; A395-E399 WeakPolarHBondContact O-CB 3.21Å; A395-E399 PolarHBondContact O-N 3.43Å; E399-A401 PolarHBondContact O-N 3.11Å; E399-V402 WeakPolarHBondContact O-CB 3.26Å; E399-V402 PolarHBondContact O-N 3.35Å; E399-V402 VanDerWaalsContact O-N 3.13Å; E399-Q403 WeakPolarHBondContact O-CG 3.46Å; E399-Q403 PolarHBondContact O-N 3.31Å; E399-P414 HydrophobicContact CB-CB 4.4Å; E399-P414 HydrophobicContact CB-CG 4.12Å; E399-Y418 PolarHBondContact OE2-OH 3.03Å; E399-Y418 VanDerWaalsContact OE2-OH 3.12Å; E399-Q501 PolarHBondContact OE1-NE2 3.37Å; E399-Q501 PolarHBondContact OE2-NE2 3.36Å; E399-Q501 VanDerWaalsContact OE2-NE2 3.09Å; E399-K504 IonicContact OE1-NZ 2.89Å
400	G	87.1	Confident	80.7	Confident	20 Å²	20	54.1 Å²	54.1	21%	0.206	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-29.7	173.6	0	0	0	0	0	113.1	D396 F398 K404	D396-G400 WeakPolarHBondContact O-CA 3.4Å; D396-G400 PolarHBondContact O-N 2.99Å; F398-G400 VanDerWaalsContact C-N 3.32Å; F398-G400 PolarHBondContact O-N 3.46Å; G400-K404 WeakPolarHBondContact O-CD 3.29Å; G400-K404 VanDerWaalsContact O-CG 3.26Å; G400-K404 WeakPolarHBondContact O-CG 3.29Å; G400-K404 PolarHBondContact O-N 3.42Å
401	A	86.9	Confident	82	Confident	9 Å²	9	57.9 Å²	57.9	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-74.9	-39.7	171.4	0	0	0	0	0	111.9	F348 L397 F398 E399 Q403 K404 G405 L406	F348-A401 HydrophobicContact CB-CB 3.78Å; F348-A401 HydrophobicContact CD1-CB 4.13Å; F348-A401 HydrophobicContact CG-CB 3.97Å; L397-A401 WeakPolarHBondContact O-CB 2.92Å; L397-A401 PolarHBondContact O-N 2.94Å; F398-A401 CarbonylContact O-C 3.27Å; F398-A401 WeakPolarHBondContact O-CA 3.46Å; F398-A401 WeakPolarHBondContact O-CB 3.18Å; F398-A401 PolarHBondContact O-N 3.27Å; E399-A401 PolarHBondContact O-N 3.11Å; A401-Q403 VanDerWaalsContact C-N 3.34Å; A401-Q403 PolarHBondContact O-N 2.9Å; A401-K404 CarbonylContact O-C 3.6Å; A401-K404 WeakPolarHBondContact O-CA 2.97Å; A401-K404 WeakPolarHBondContact O-CB 3.31Å; A401-K404 PolarHBondContact O-N 2.87Å; A401-G405 PolarHBondContact O-N 3.35Å; A401-L406 HydrophobicContact CB-CB 4.19Å; A401-L406 HydrophobicContact CB-CD2 3.82Å; A401-L406 WeakPolarHBondContact O-CB 3.46Å; A401-L406 PolarHBondContact O-N 2.84Å
402	V	87.5	Confident	83.2	Confident	43 Å²	43	59.5 Å²	59.5	26%	0.261	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-44.3	173.7	175.5	0	0	0	0	110.7	F398 E399 K404 G405 T408 P414	F398-V402 HydrophobicContact CD2-CG2 4.01Å; F398-V402 HydrophobicContact CE2-CG2 3.98Å; F398-V402 WeakPolarHBondContact O-CG2 3.13Å; F398-V402 PolarHBondContact O-N 2.94Å; E399-V402 WeakPolarHBondContact O-CB 3.26Å; E399-V402 PolarHBondContact O-N 3.35Å; E399-V402 VanDerWaalsContact O-N 3.13Å; V402-K404 PolarHBondContact O-N 3.21Å; V402-G405 PolarHBondContact O-N 3.15Å; V402-T408 HydrophobicContact CG2-CG2 3.39Å; V402-P414 HydrophobicContact CG2-CG 4.47Å
403	Q	87.3	Confident	84.3	Confident	151 Å²	151	56.3 Å²	56.3	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-28	174.3	-71.2	175.8	10.8	0	0	112.8	E399 A401 G405	E399-Q403 WeakPolarHBondContact O-CG 3.46Å; E399-Q403 PolarHBondContact O-N 3.31Å; A401-Q403 VanDerWaalsContact C-N 3.34Å; A401-Q403 PolarHBondContact O-N 2.9Å; Q403-G405 VanDerWaalsContact C-N 3.29Å
404	K	85.2	Confident	85	Confident	171 Å²	171	55.6 Å²	55.6	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	3.7	175.1	-71.6	171.4	-173.9	173.5	0	113.9	G400 A401 V402	G400-K404 WeakPolarHBondContact O-CD 3.29Å; G400-K404 VanDerWaalsContact O-CG 3.26Å; G400-K404 WeakPolarHBondContact O-CG 3.29Å; G400-K404 PolarHBondContact O-N 3.42Å; A401-K404 CarbonylContact O-C 3.6Å; A401-K404 WeakPolarHBondContact O-CA 2.97Å; A401-K404 WeakPolarHBondContact O-CB 3.31Å; A401-K404 PolarHBondContact O-N 2.87Å; V402-K404 PolarHBondContact O-N 3.21Å
405	G	84.7	Confident	85.4	Confident	55 Å²	55	55.3 Å²	55.3	57%	0.567	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.2	9.6	176.6	0	0	0	0	0	115.2	A401 V402 Q403 L407	A401-G405 PolarHBondContact O-N 3.35Å; V402-G405 PolarHBondContact O-N 3.15Å; Q403-G405 VanDerWaalsContact C-N 3.29Å; G405-L407 PolarHBondContact O-N 2.9Å
406	L	85.7	Confident	85.7	Confident	14 Å²	14	58.3 Å²	58.3	7%	0.073	32%	0.317	C	S	.	.			trans	-68.4	121.4	171.8	-174	66.1	0	0	0	110.3	F348 N351 L353 F398 A401	F348-L406 HydrophobicContact CD1-CD2 3.65Å; F348-L406 HydrophobicContact CE1-CD2 4.1Å; N351-L406 HydrophobicContact CB-CD1 4.23Å; L353-L406 HydrophobicContact CB-CD1 4.49Å; L353-L406 HydrophobicContact CD1-CD2 4.23Å; F398-L406 HydrophobicContact CD2-CD2 4.06Å; F398-L406 HydrophobicContact CE2-CD2 3.87Å; A401-L406 HydrophobicContact CB-CB 4.19Å; A401-L406 HydrophobicContact CB-CD2 3.82Å; A401-L406 WeakPolarHBondContact O-CB 3.46Å; A401-L406 PolarHBondContact O-N 2.84Å
407	L	83.9	Confident	85.9	Confident	154 Å²	154	55.1 Å²	55.1	81%	0.806	30%	0.299	S	S	*	.			trans	-71.7	139	176	-61	176.6	0	0	0	110.6	G405	G405-L407 PolarHBondContact O-N 2.9Å
408	T	82.8	Confident	86.1	Confident	37 Å²	37	54.1 Å²	54.1	23%	0.227	29%	0.293	C	S	.	.			trans	-124.8	150.9	178.7	41	0	0	0	0	111	F398 V402 H505	F398-T408 HydrophobicContact CE2-CG2 3.47Å; F398-T408 VanDerWaalsContact CE2-CG2 3.47Å; F398-T408 HydrophobicContact CZ-CG2 3.59Å; V402-T408 HydrophobicContact CG2-CG2 3.39Å; T408-H505 PolarHBondContact OG1-CE1 3.04Å; T408-H505 VanDerWaalsContact OG1-CE1 3.26Å
409	V	82	Confident	86.1	Confident	88 Å²	88	54.8 Å²	54.8	53%	0.533	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-107.9	157.3	178.6	-175.1	0	0	0	0	108.4	T411 Q412	V409-T411 PolarHBondContact O-N 3.15Å; V409-Q412 CarbonylContact O-C 3.5Å; V409-Q412 PolarHBondContact O-N 3.04Å
410	Q	77.7	Confident	86.1	Confident	124 Å²	124	55.1 Å²	55.1	58%	0.579	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.2	176.8	-70.5	-173.7	-38.5	0	0	114.1	H413 F416 H505	Q410-H413 PolarHBondContact O-CD2 3.23Å; Q410-H413 PolarHBondContact O-NE2 3.22Å; Q410-F416 WeakPolarHBondContact O-CE2 3.1Å; Q410-H505 PolarHBondContact NE2-O 3.21Å
411	T	82.6	Confident	85.9	Confident	102 Å²	102	54.2 Å²	54.2	63%	0.626	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10	179.2	54.7	0	0	0	0	114	V409	V409-T411 PolarHBondContact O-N 3.15Å
412	Q	84.2	Confident	85.9	Confident	55 Å²	55	53.8 Å²	53.8	26%	0.257	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-137.7	81	-173.7	-66.2	-174.5	1.6	0	0	109.8	L353 L357 F398 V409	L353-Q412 HydrophobicContact CD2-CB 4.49Å; L357-Q412 HydrophobicContact CD1-CB 4.19Å; L357-Q412 HydrophobicContact CD1-CG 4.04Å; F398-Q412 WeakPolarHBondContact CZ-O 3.16Å; V409-Q412 CarbonylContact O-C 3.5Å; V409-Q412 PolarHBondContact O-N 3.04Å
413	H	87.3	Confident	85.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-144.2	164.2	179.5	67.7	61.5	0	0	0	111.7	Q410 G415 F416 Y417 F502 H505	Q410-H413 PolarHBondContact O-CD2 3.23Å; Q410-H413 PolarHBondContact O-NE2 3.22Å; H413-G415 VanDerWaalsContact C-N 3.29Å; H413-G415 WeakPolarHBondContact ND1-CA 3.16Å; H413-G415 PolarHBondContact ND1-N 3.27Å; H413-G415 PolarHBondContact O-N 2.95Å; H413-F416 AromaticContact CD2-CE2 3.73Å; H413-F416 AromaticContact CE1-CD2 3.5Å; H413-F416 VanDerWaalsContact CE1-CD2 3.5Å; H413-F416 WeakPolarHBondContact CE1-CD2 3.33Å; H413-F416 AromaticContact CE1-CE2 3.58Å; H413-F416 AromaticContact ND1-CD2 3.77Å; H413-F416 AromaticContact NE2-CD2 3.71Å; H413-F416 AromaticContact NE2-CE2 3.29Å; H413-F416 VanDerWaalsContact NE2-CE2 3.29Å; H413-F416 WeakPolarHBondContact NE2-CE2 3.12Å; H413-Y417 WeakPolarHBondContact O-CD2 3.46Å; H413-F502 AromaticContact CE1-CD1 3.4Å; H413-F502 WeakPolarHBondContact CE1-CD1 3.35Å; H413-F502 AromaticContact CE1-CE1 3.28Å; H413-F502 WeakPolarHBondContact CE1-CE1 3.2Å; H413-F502 AromaticContact NE2-CD1 3.68Å; H413-F502 AromaticContact NE2-CE1 3.75Å; H413-H505 VanDerWaalsContact CB-NE2 3.32Å; H413-H505 WeakPolarHBondContact CB-NE2 3.37Å; H413-H505 AromaticContact CD2-CD2 3.46Å; H413-H505 PolarHBondContact CD2-CD2 2.94Å; H413-H505 VanDerWaalsContact CD2-CD2 3.46Å; H413-H505 AromaticContact CD2-CG 3.53Å; H413-H505 AromaticContact CG-CD2 3.36Å; H413-H505 AromaticContact CG-CG 3.89Å; H413-H505 AromaticContact CG-NE2 3.76Å; H413-H505 AromaticContact ND1-CD2 3.88Å
414	P	89.6	Confident	85.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-32.7	-175.7	-26	34.8	0	0	0	114.9	A395 F398 E399 V402 F416 Y417 Y418 Q501	A395-P414 HydrophobicContact CB-CB 4.26Å; F398-P414 HydrophobicContact CB-CG 4.15Å; F398-P414 HydrophobicContact CD1-CB 4.34Å; F398-P414 HydrophobicContact CD1-CG 3.83Å; F398-P414 HydrophobicContact CD2-CG 4.34Å; F398-P414 HydrophobicContact CE1-CG 4.32Å; F398-P414 HydrophobicContact CG-CG 3.84Å; E399-P414 HydrophobicContact CB-CB 4.4Å; E399-P414 HydrophobicContact CB-CG 4.12Å; V402-P414 HydrophobicContact CG2-CG 4.47Å; P414-F416 VanDerWaalsContact C-N 3.32Å; P414-F416 PolarHBondContact O-N 3.45Å; P414-Y417 WeakPolarHBondContact O-CA 3.43Å; P414-Y417 WeakPolarHBondContact O-CB 3.3Å; P414-Y417 PolarHBondContact O-N 2.95Å; P414-Y418 HydrophobicContact CB-CD2 4.09Å; P414-Y418 HydrophobicContact CB-CE2 3.71Å; P414-Y418 VanDerWaalsContact O-CD2 3.28Å; P414-Y418 WeakPolarHBondContact O-CD2 3.2Å; P414-Y418 PolarHBondContact O-N 2.83Å; P414-Y418 VanDerWaalsContact O-N 3.08Å; P414-Q501 HydrophobicContact CB-CG 4.31Å
415	G	89.9	Confident	85.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-49.1	-41.6	-178.8	0	0	0	0	0	116.1	H413 Y417 Y418 Q419	H413-G415 VanDerWaalsContact C-N 3.29Å; H413-G415 WeakPolarHBondContact ND1-CA 3.16Å; H413-G415 PolarHBondContact ND1-N 3.27Å; H413-G415 PolarHBondContact O-N 2.95Å; G415-Y417 VanDerWaalsContact C-N 3.31Å; G415-Y417 PolarHBondContact O-N 3.5Å; G415-Y418 PolarHBondContact O-N 3.32Å; G415-Q419 PolarHBondContact O-N 2.92Å
416	F	89.2	Confident	85.4	Confident	63 Å²	63	40.8 Å²	40.8	28%	0.276	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-41	175.7	-70.3	-76.2	0	0	0	112.1	Q410 H413 P414 Q419 T420 F502 M510	Q410-F416 WeakPolarHBondContact O-CE2 3.1Å; H413-F416 AromaticContact CD2-CE2 3.73Å; H413-F416 AromaticContact CE1-CD2 3.5Å; H413-F416 VanDerWaalsContact CE1-CD2 3.5Å; H413-F416 WeakPolarHBondContact CE1-CD2 3.33Å; H413-F416 AromaticContact CE1-CE2 3.58Å; H413-F416 AromaticContact ND1-CD2 3.77Å; H413-F416 AromaticContact NE2-CD2 3.71Å; H413-F416 AromaticContact NE2-CE2 3.29Å; H413-F416 VanDerWaalsContact NE2-CE2 3.29Å; H413-F416 WeakPolarHBondContact NE2-CE2 3.12Å; P414-F416 VanDerWaalsContact C-N 3.32Å; P414-F416 PolarHBondContact O-N 3.45Å; F416-Q419 PolarHBondContact O-N 3.39Å; F416-T420 WeakPolarHBondContact O-CB 3.3Å; F416-T420 PolarHBondContact O-N 3.48Å; F416-T420 PolarHBondContact O-OG1 2.76Å; F416-T420 VanDerWaalsContact O-OG1 3.06Å; F416-F502 HydrophobicContact CD1-CE1 4.24Å; F416-F502 HydrophobicContact CD1-CZ 4.34Å; F416-F502 HydrophobicContact CD2-CE1 4.48Å; F416-F502 HydrophobicContact CE1-CE1 4.16Å; F416-F502 HydrophobicContact CE2-CE1 4.4Å; F416-F502 HydrophobicContact CG-CE1 4.39Å; F416-F502 HydrophobicContact CZ-CE1 4.25Å; F416-M510 HydrophobicContact CE1-CE 4.21Å; F416-M510 HydrophobicContact CE1-CG 4.5Å
417	Y	88.1	Confident	85.3	Confident	19 Å²	19	44 Å²	44	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-37.5	179.5	-62.1	-93.6	0	0	0	111.2	L357 F360 F391 F394 F398 H413 P414 G415 A421	L357-Y417 HydrophobicContact CD2-CE2 4.12Å; L357-Y417 WeakPolarHBondContact CD2-OH 3.41Å; F360-Y417 HydrophobicContact CD1-CD1 4.46Å; F360-Y417 AromaticContact CD1-CE1 3.93Å; F360-Y417 HydrophobicContact CD1-CE1 3.93Å; F360-Y417 AromaticContact CE1-CD1 3.99Å; F360-Y417 HydrophobicContact CE1-CD1 3.99Å; F360-Y417 AromaticContact CE1-CE1 3.88Å; F360-Y417 HydrophobicContact CE1-CE1 3.88Å; F391-Y417 AromaticContact CD1-CD1 3.43Å; F391-Y417 HydrophobicContact CD1-CD1 3.43Å; F391-Y417 VanDerWaalsContact CD1-CD1 3.43Å; F391-Y417 HydrophobicContact CD1-CE1 4.35Å; F391-Y417 HydrophobicContact CD1-CG 4.15Å; F391-Y417 AromaticContact CE1-CD1 3.66Å; F391-Y417 HydrophobicContact CE1-CD1 3.66Å; F391-Y417 HydrophobicContact CE1-CE1 4.16Å; F394-Y417 AromaticContact CD1-CD1 3.57Å; F394-Y417 HydrophobicContact CD1-CD1 3.57Å; F394-Y417 HydrophobicContact CD1-CD2 4.48Å; F394-Y417 AromaticContact CD1-CE1 3.79Å; F394-Y417 HydrophobicContact CD1-CE1 3.79Å; F394-Y417 AromaticContact CD1-CG 4Å; F394-Y417 HydrophobicContact CD1-CG 4Å; F394-Y417 AromaticContact CE1-CD1 3.76Å; F394-Y417 HydrophobicContact CE1-CD1 3.76Å; F394-Y417 HydrophobicContact CE1-CD2 4.31Å; F394-Y417 AromaticContact CE1-CE1 3.49Å; F394-Y417 HydrophobicContact CE1-CE1 3.49Å; F394-Y417 VanDerWaalsContact CE1-CE1 3.49Å; F394-Y417 HydrophobicContact CE1-CE2 4.07Å; F394-Y417 HydrophobicContact CE1-CG 4.21Å; F394-Y417 AromaticContact CE1-CZ 3.68Å; F394-Y417 HydrophobicContact CZ-CE1 4.49Å; F398-Y417 HydrophobicContact CD1-CD2 4.34Å; F398-Y417 HydrophobicContact CD1-CE2 4.3Å; F398-Y417 HydrophobicContact CE1-CE2 4.19Å; H413-Y417 WeakPolarHBondContact O-CD2 3.46Å; P414-Y417 WeakPolarHBondContact O-CA 3.43Å; P414-Y417 WeakPolarHBondContact O-CB 3.3Å; P414-Y417 PolarHBondContact O-N 2.95Å; G415-Y417 VanDerWaalsContact C-N 3.31Å; G415-Y417 PolarHBondContact O-N 3.5Å; Y417-A421 WeakPolarHBondContact O-CB 3.41Å; Y417-A421 PolarHBondContact O-N 3.31Å
418	Y	89.9	Confident	85.1	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-41.3	171.7	-72.8	-72.4	0	0	0	112.8	W392 A395 E399 P414 G415 A421 A422 L494 N497 Q501	W392-Y418 AromaticContact CD1-CD1 3.97Å; W392-Y418 AromaticContact CD1-CE1 3.28Å; W392-Y418 HydrophobicContact CG-CE1 4.41Å; W392-Y418 AromaticContact NE1-CE1 3.74Å; A395-Y418 HydrophobicContact CB-CD1 4.15Å; A395-Y418 HydrophobicContact CB-CD2 3.81Å; A395-Y418 HydrophobicContact CB-CE1 3.97Å; A395-Y418 HydrophobicContact CB-CE2 3.56Å; A395-Y418 HydrophobicContact CB-CG 4.06Å; E399-Y418 PolarHBondContact OE2-OH 3.03Å; E399-Y418 VanDerWaalsContact OE2-OH 3.12Å; P414-Y418 HydrophobicContact CB-CD2 4.09Å; P414-Y418 HydrophobicContact CB-CE2 3.71Å; P414-Y418 VanDerWaalsContact O-CD2 3.28Å; P414-Y418 WeakPolarHBondContact O-CD2 3.2Å; P414-Y418 PolarHBondContact O-N 2.83Å; P414-Y418 VanDerWaalsContact O-N 3.08Å; G415-Y418 PolarHBondContact O-N 3.32Å; Y418-A421 WeakPolarHBondContact O-CB 3.37Å; Y418-A421 PolarHBondContact O-N 2.74Å; Y418-A422 PolarHBondContact O-N 3.24Å; Y418-L494 HydrophobicContact CD1-CD2 4.11Å; Y418-N497 HydrophobicContact CD1-CB 3.66Å; Y418-N497 HydrophobicContact CD2-CB 4.28Å; Y418-N497 HydrophobicContact CE1-CB 3.65Å; Y418-N497 HydrophobicContact CE2-CB 4.34Å; Y418-N497 HydrophobicContact CG-CB 4Å; Y418-Q501 HydrophobicContact CD2-CG 4.22Å; Y418-Q501 HydrophobicContact CE2-CG 4.2Å
419	Q	89.5	Confident	85	Confident	14 Å²	14	36.1 Å²	36.1	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-53.1	177.8	180	-173.4	-17.1	0	0	111.6	G415 F416 A421 A422 E423 A498 F502 M510 V514	G415-Q419 PolarHBondContact O-N 2.92Å; F416-Q419 PolarHBondContact O-N 3.39Å; Q419-A421 PolarHBondContact O-N 3.29Å; Q419-A422 WeakPolarHBondContact O-CA 3.49Å; Q419-A422 WeakPolarHBondContact O-CB 3.48Å; Q419-A422 PolarHBondContact O-N 2.72Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.37Å; Q419-E423 PolarHBondContact NE2-OE1 3.24Å; Q419-E423 PolarHBondContact O-N 3.2Å; Q419-A498 HydrophobicContact CB-CB 4.36Å; Q419-F502 HydrophobicContact CB-CE2 4.12Å; Q419-F502 HydrophobicContact CB-CZ 4.24Å; Q419-F502 VanDerWaalsContact OE1-CZ 3.24Å; Q419-M510 VanDerWaalsContact OE1-CG 3.28Å; Q419-V514 HydrophobicContact CG-CG2 4.28Å
420	T	86.8	Confident	85	Confident	38 Å²	38	38.4 Å²	38.4	23%	0.233	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-35.3	176.2	-61.3	0	0	0	0	110.6	F391 F416 E423 Y424	F391-T420 HydrophobicContact CD1-CG2 4.47Å; F391-T420 HydrophobicContact CE1-CG2 4.09Å; F391-T420 HydrophobicContact CZ-CG2 4.32Å; F416-T420 WeakPolarHBondContact O-CB 3.3Å; F416-T420 PolarHBondContact O-N 3.48Å; F416-T420 PolarHBondContact O-OG1 2.76Å; F416-T420 VanDerWaalsContact O-OG1 3.06Å; T420-E423 PolarHBondContact O-N 2.63Å; T420-Y424 HydrophobicContact CG2-CD2 3.88Å; T420-Y424 HydrophobicContact CG2-CE2 3.49Å; T420-Y424 VanDerWaalsContact CG2-CE2 3.49Å; T420-Y424 WeakPolarHBondContact O-CD2 3.38Å; T420-Y424 PolarHBondContact O-N 3.29Å
421	A	84.1	Confident	84.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-52.6	171.1	0	0	0	0	0	110.8	I388 F391 Y417 Y418 Q419 E423 Y424 M425 L494	I388-A421 HydrophobicContact CB-CB 4.27Å; I388-A421 WeakPolarHBondContact CD1-O 3.25Å; I388-A421 HydrophobicContact CG1-CB 4.1Å; I388-A421 VanDerWaalsContact CG1-O 3.26Å; I388-A421 WeakPolarHBondContact CG1-O 3.17Å; I388-A421 HydrophobicContact CG2-CB 3.91Å; F391-A421 HydrophobicContact CB-CB 3.96Å; Y417-A421 WeakPolarHBondContact O-CB 3.41Å; Y417-A421 PolarHBondContact O-N 3.31Å; Y418-A421 WeakPolarHBondContact O-CB 3.37Å; Y418-A421 PolarHBondContact O-N 2.74Å; Q419-A421 PolarHBondContact O-N 3.29Å; A421-E423 VanDerWaalsContact C-N 3.32Å; A421-E423 PolarHBondContact O-N 3.11Å; A421-Y424 PolarHBondContact O-N 3.48Å; A421-M425 PolarHBondContact O-N 3.04Å; A421-M425 VanDerWaalsContact O-N 3.12Å; A421-L494 HydrophobicContact CB-CD1 4.23Å; A421-L494 HydrophobicContact CB-CD2 4.31Å
422	A	86.7	Confident	84.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.8	-40.4	177.6	0	0	0	0	0	114.1	Y418 Q419 Y424 M425 I426 I491 L494 L495	Y418-A422 PolarHBondContact O-N 3.24Å; Q419-A422 WeakPolarHBondContact O-CA 3.49Å; Q419-A422 WeakPolarHBondContact O-CB 3.48Å; Q419-A422 PolarHBondContact O-N 2.72Å; A422-Y424 PolarHBondContact O-N 3.39Å; A422-M425 WeakPolarHBondContact O-CB 3.47Å; A422-M425 PolarHBondContact O-N 3.23Å; A422-M425 VanDerWaalsContact O-N 3.1Å; A422-I426 WeakPolarHBondContact O-CG1 3.37Å; A422-I426 PolarHBondContact O-N 3.13Å; A422-I491 HydrophobicContact CB-CG2 4.34Å; A422-L494 HydrophobicContact CB-CB 4.09Å; A422-L495 HydrophobicContact CB-CD2 3.38Å; A422-L495 HydrophobicContact CB-CG 3.65Å
423	E	86.2	Confident	83.6	Confident	70 Å²	70	33 Å²	33	33%	0.327	15%	0.153	S	C	.	.	H	α-helix	trans	-59.6	-45.3	178.7	-72.5	166	-172.7	0	0	112.3	Q419 T420 A421 M425 I426 Q427	Q419-E423 WeakPolarHBondContact CG-OE1 3.37Å; Q419-E423 PolarHBondContact NE2-OE1 3.24Å; Q419-E423 PolarHBondContact O-N 3.2Å; T420-E423 PolarHBondContact O-N 2.63Å; A421-E423 VanDerWaalsContact C-N 3.32Å; A421-E423 PolarHBondContact O-N 3.11Å; E423-M425 VanDerWaalsContact C-N 3.33Å; E423-M425 PolarHBondContact O-N 3.36Å; E423-I426 PolarHBondContact O-N 3.22Å; E423-Q427 PolarHBondContact O-N 3.08Å
424	Y	81.9	Confident	82.7	Confident	47 Å²	47	37.7 Å²	37.7	18%	0.184	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-33.3	174.8	-72.6	-57.3	0	0	0	112	A385 I388 T420 A421 A422 I426 Q427 R428	A385-Y424 WeakPolarHBondContact CB-O 3.35Å; I388-Y424 VanDerWaalsContact CD1-C 3.49Å; T420-Y424 HydrophobicContact CG2-CD2 3.88Å; T420-Y424 HydrophobicContact CG2-CE2 3.49Å; T420-Y424 VanDerWaalsContact CG2-CE2 3.49Å; T420-Y424 WeakPolarHBondContact O-CD2 3.38Å; T420-Y424 PolarHBondContact O-N 3.29Å; A421-Y424 PolarHBondContact O-N 3.48Å; A422-Y424 PolarHBondContact O-N 3.39Å; Y424-I426 VanDerWaalsContact C-N 3.27Å; Y424-I426 PolarHBondContact O-N 3.13Å; Y424-Q427 PolarHBondContact O-N 3.44Å; Y424-R428 WeakPolarHBondContact O-CB 3.47Å; Y424-R428 PolarHBondContact O-N 3.45Å
425	M	81	Confident	81.4	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-37.6	177.5	-91.3	-42.7	-81.5	0	0	109.8	I388 A421 A422 E423 R428 K429 Y487 I490 I491 L494	I388-M425 HydrophobicContact CB-SD 4.47Å; I388-M425 VanDerWaalsContact CD1-CA 3.46Å; I388-M425 HydrophobicContact CD1-CB 3.72Å; I388-M425 HydrophobicContact CD1-CG 3.34Å; I388-M425 HydrophobicContact CD1-SD 3.52Å; I388-M425 VanDerWaalsContact CD1-SD 3.52Å; I388-M425 HydrophobicContact CG1-CG 4.48Å; I388-M425 HydrophobicContact CG2-CG 3.8Å; I388-M425 HydrophobicContact CG2-SD 3.99Å; A421-M425 PolarHBondContact O-N 3.04Å; A421-M425 VanDerWaalsContact O-N 3.12Å; A422-M425 WeakPolarHBondContact O-CB 3.47Å; A422-M425 PolarHBondContact O-N 3.23Å; A422-M425 VanDerWaalsContact O-N 3.1Å; E423-M425 VanDerWaalsContact C-N 3.33Å; E423-M425 PolarHBondContact O-N 3.36Å; M425-R428 PolarHBondContact O-N 2.85Å; M425-K429 WeakPolarHBondContact O-CB 3.33Å; M425-K429 PolarHBondContact O-N 3.38Å; M425-Y487 HydrophobicContact CE-CD1 3.84Å; M425-I490 HydrophobicContact CE-CB 4.12Å; M425-I490 HydrophobicContact CE-CD1 4.26Å; M425-I490 HydrophobicContact CE-CG2 3.91Å; M425-I490 HydrophobicContact CG-CG2 4.22Å; M425-I490 HydrophobicContact SD-CG2 4.32Å; M425-I491 HydrophobicContact CB-CD1 4.1Å; M425-I491 HydrophobicContact CB-CG1 3.44Å; M425-I491 VanDerWaalsContact CB-CG1 3.44Å; M425-I491 HydrophobicContact CG-CG1 4.05Å; M425-L494 HydrophobicContact CG-CD1 3.86Å
426	I	85.3	Confident	79.9	Confident	28 Å²	28	41.7 Å²	41.7	14%	0.144	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-43	176.7	-67	165.6	0	0	0	110.3	A422 E423 Y424 K429 K430 I491	A422-I426 WeakPolarHBondContact O-CG1 3.37Å; A422-I426 PolarHBondContact O-N 3.13Å; E423-I426 PolarHBondContact O-N 3.22Å; Y424-I426 VanDerWaalsContact C-N 3.27Å; Y424-I426 PolarHBondContact O-N 3.13Å; I426-K429 PolarHBondContact O-N 3.4Å; I426-K430 WeakPolarHBondContact O-CG 3.46Å; I426-K430 PolarHBondContact O-N 2.93Å; I426-K430 VanDerWaalsContact O-N 3.09Å; I426-I491 HydrophobicContact CD1-CG2 4.36Å; I426-I491 HydrophobicContact CG1-CD1 4Å; I426-I491 HydrophobicContact CG1-CG1 4.48Å; I426-I491 HydrophobicContact CG1-CG2 4.14Å
427	Q	82.4	Confident	78.2	Confident	81 Å²	81	43.2 Å²	43.2	38%	0.379	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-43.1	175.5	-67.9	178.2	0.3	0	0	111.9	Y381 E423 Y424 K430 L431	Y381-Q427 HydrophobicContact CD1-CB 4.27Å; Y381-Q427 HydrophobicContact CE1-CB 4.44Å; E423-Q427 PolarHBondContact O-N 3.08Å; Y424-Q427 PolarHBondContact O-N 3.44Å; Q427-K430 WeakPolarHBondContact O-CB 3.33Å; Q427-K430 PolarHBondContact O-N 2.88Å; Q427-L431 PolarHBondContact O-N 3.46Å; Q427-L431 VanDerWaalsContact O-N 3.11Å
428	R	79.5	Confident	76.4	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-41.8	176	-175.8	-167.6	170.9	-161.1	-21.8	112.7	A382 A385 R386 Y424 M425 K430 L431 G432 E482 Y487	A382-R428 HydrophobicContact CB-CG 4.3Å; A385-R428 HydrophobicContact CB-CB 3.43Å; A385-R428 VanDerWaalsContact CB-CB 3.43Å; A385-R428 HydrophobicContact CB-CG 3.98Å; R386-R428 VanDerWaalsContact CZ-CZ 3.43Å; R386-R428 VanDerWaalsContact NE-NH1 3.14Å; Y424-R428 WeakPolarHBondContact O-CB 3.47Å; Y424-R428 PolarHBondContact O-N 3.45Å; M425-R428 PolarHBondContact O-N 2.85Å; R428-K430 VanDerWaalsContact C-N 3.33Å; R428-K430 PolarHBondContact O-N 2.99Å; R428-L431 PolarHBondContact O-N 3.35Å; R428-G432 PolarHBondContact O-N 3.49Å; R428-E482 IonicContact CZ-OE1 2.84Å; R428-E482 IonicContact CZ-OE2 2.7Å; R428-E482 IonicContact NE-OE1 2.72Å; R428-E482 PolarHBondContact NE-OE1 3.47Å; R428-E482 IonicContact NE-OE2 3.11Å; R428-E482 IonicContact NH2-OE1 3.22Å; R428-E482 PolarHBondContact NH2-OE1 3.21Å; R428-E482 IonicContact NH2-OE2 3.04Å; R428-E482 PolarHBondContact NH2-OE2 3.49Å; R428-Y487 HydrophobicContact CG-CE1 4.26Å
429	K	81.7	Confident	74.4	Confident	21 Å²	21	54.9 Å²	54.9	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-46.4	174.1	177.9	-179.2	173.3	177.5	0	111	M425 I426 L431 G432 Q433 Y487 S488 I491	M425-K429 WeakPolarHBondContact O-CB 3.33Å; M425-K429 PolarHBondContact O-N 3.38Å; I426-K429 PolarHBondContact O-N 3.4Å; K429-L431 PolarHBondContact O-N 2.74Å; K429-G432 PolarHBondContact O-N 3.32Å; K429-Q433 WeakPolarHBondContact O-CB 3.4Å; K429-Q433 VanDerWaalsContact O-CG 3.31Å; K429-Q433 WeakPolarHBondContact O-CG 3.37Å; K429-Q433 PolarHBondContact O-N 2.6Å; K429-Y487 HydrophobicContact CB-CD1 3.99Å; K429-Y487 HydrophobicContact CB-CG 3.98Å; K429-Y487 HydrophobicContact CG-CD2 4.39Å; K429-Y487 HydrophobicContact CG-CG 4.07Å; K429-S488 PolarHBondContact NZ-OG 2.96Å; K429-I491 HydrophobicContact CD-CD1 4.21Å
430	K	81.8	Confident	72.4	Confident	137 Å²	137	59 Å²	59	60%	0.596	31%	0.306	S	S	*	.	H	α-helix	trans	-58.6	-47.4	178.6	-71.4	177.3	-179.5	-175.9	0	111.6	I426 Q427 R428 T434	I426-K430 WeakPolarHBondContact O-CG 3.46Å; I426-K430 PolarHBondContact O-N 2.93Å; I426-K430 VanDerWaalsContact O-N 3.09Å; Q427-K430 WeakPolarHBondContact O-CB 3.33Å; Q427-K430 PolarHBondContact O-N 2.88Å; R428-K430 VanDerWaalsContact C-N 3.33Å; R428-K430 PolarHBondContact O-N 2.99Å; K430-T434 PolarHBondContact O-N 3.19Å; K430-T434 PolarHBondContact O-OG1 3.07Å; K430-T434 VanDerWaalsContact O-OG1 3.07Å
431	L	75.3	Confident	70.7	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-71	-42.5	-179.6	-67.5	165.7	0	0	0	112.9	Y381 Q427 R428 K429 Q433 T434 S435	Y381-L431 HydrophobicContact CD1-CD1 3.71Å; Y381-L431 HydrophobicContact CD2-CD1 3.03Å; Y381-L431 HydrophobicContact CD2-CG 4.49Å; Y381-L431 HydrophobicContact CE1-CD1 4.06Å; Y381-L431 HydrophobicContact CE2-CD1 3.43Å; Y381-L431 VanDerWaalsContact CE2-CD1 3.43Å; Y381-L431 HydrophobicContact CG-CD1 3.14Å; Q427-L431 PolarHBondContact O-N 3.46Å; Q427-L431 VanDerWaalsContact O-N 3.11Å; R428-L431 PolarHBondContact O-N 3.35Å; K429-L431 PolarHBondContact O-N 2.74Å; L431-Q433 VanDerWaalsContact C-N 3.29Å; L431-Q433 PolarHBondContact O-N 3.44Å; L431-T434 PolarHBondContact O-N 2.84Å; L431-S435 PolarHBondContact O-N 3.09Å; L431-S435 VanDerWaalsContact O-N 3.08Å; L431-S435 PolarHBondContact O-OG 3.36Å; L431-S435 VanDerWaalsContact O-OG 3.11Å
432	G	68.9	Low	68.9	Low	1 Å²	1	67.3 Å²	67.3	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-58.5	-40.9	176.8	0	0	0	0	0	112.2	R428 K429 S435 I436	R428-G432 PolarHBondContact O-N 3.49Å; K429-G432 PolarHBondContact O-N 3.32Å; G432-S435 PolarHBondContact O-N 2.78Å; G432-I436 WeakPolarHBondContact O-CB 3.05Å; G432-I436 VanDerWaalsContact O-CD1 3.26Å; G432-I436 WeakPolarHBondContact O-CD1 3.31Å; G432-I436 WeakPolarHBondContact O-CG1 3.08Å; G432-I436 PolarHBondContact O-N 3.17Å
433	Q	71.3	Confident	67.1	Low	121 Å²	121	76.1 Å²	76.1	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-66.2	-39.7	176.8	-74	178.2	-31.2	0	0	113.1	K429 L431 S435	K429-Q433 WeakPolarHBondContact O-CB 3.4Å; K429-Q433 VanDerWaalsContact O-CG 3.31Å; K429-Q433 WeakPolarHBondContact O-CG 3.37Å; K429-Q433 PolarHBondContact O-N 2.6Å; L431-Q433 VanDerWaalsContact C-N 3.29Å; L431-Q433 PolarHBondContact O-N 3.44Å; Q433-S435 VanDerWaalsContact C-N 3.3Å; Q433-S435 PolarHBondContact O-N 3.05Å
434	T	66.7	Low	65.4	Low	99 Å²	99	74.2 Å²	74.2	61%	0.607	39%	0.39	S	S	*	.	H	α-helix	trans	-67.2	-31.9	177.1	-52.3	0	0	0	0	112.3	K430 L431 S437	K430-T434 PolarHBondContact O-N 3.19Å; K430-T434 PolarHBondContact O-OG1 3.07Å; K430-T434 VanDerWaalsContact O-OG1 3.07Å; L431-T434 PolarHBondContact O-N 2.84Å; T434-S437 PolarHBondContact O-OG 2.81Å; T434-S437 VanDerWaalsContact O-OG 3.13Å
435	S	62.6	Low	64	Low	23 Å²	23	78.7 Å²	78.7	16%	0.161	42%	0.417	C	S	.	.	H	α-helix	trans	-90.7	-29.8	-174.7	-55.1	0	0	0	0	114.6	L431 G432 Q433 S437 Y479	L431-S435 PolarHBondContact O-N 3.09Å; L431-S435 VanDerWaalsContact O-N 3.08Å; L431-S435 PolarHBondContact O-OG 3.36Å; L431-S435 VanDerWaalsContact O-OG 3.11Å; G432-S435 PolarHBondContact O-N 2.78Å; Q433-S435 VanDerWaalsContact C-N 3.3Å; Q433-S435 PolarHBondContact O-N 3.05Å; S435-S437 VanDerWaalsContact C-N 3.27Å; S435-S437 PolarHBondContact O-N 3.24Å; S435-Y479 WeakPolarHBondContact CB-OH 3.48Å
436	I	58.6	Low	62.7	Low	61 Å²	61	83.7 Å²	83.7	31%	0.313	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-23.9	-178.9	-69.9	162.6	0	0	0	112.4	G432 F438 Y479 A483	G432-I436 WeakPolarHBondContact O-CB 3.05Å; G432-I436 VanDerWaalsContact O-CD1 3.26Å; G432-I436 WeakPolarHBondContact O-CD1 3.31Å; G432-I436 WeakPolarHBondContact O-CG1 3.08Å; G432-I436 PolarHBondContact O-N 3.17Å; I436-F438 PolarHBondContact O-N 3.07Å; I436-Y479 HydrophobicContact CG1-CD1 4.3Å; I436-A483 HydrophobicContact CD1-CB 4.16Å
437	S	54.4	Low	61.4	Low	95 Å²	95	89.5 Å²	89.5	66%	0.664	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.4	-179.5	53.8	0	0	0	0	114.8	T434 S435	T434-S437 PolarHBondContact O-OG 2.81Å; T434-S437 VanDerWaalsContact O-OG 3.13Å; S435-S437 VanDerWaalsContact C-N 3.27Å; S435-S437 PolarHBondContact O-N 3.24Å
438	F	49.2	Very low	60.3	Low	177 Å²	177	88.1 Å²	88.1	78%	0.776	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-14.1	-171.6	-91.7	-82.6	0	0	0	116.6	I436	I436-F438 PolarHBondContact O-N 3.07Å
439	E	48.5	Very low	59.2	Low	88 Å²	88	90.6 Å²	90.6	41%	0.411	48%	0.483	S	S	.	.			trans	-136.4	108.2	-174.7	-69.1	179.5	-176.3	0	0	111.9
440	S	48.5	Very low	58.3	Low	102 Å²	102	92.9 Å²	92.9	71%	0.713	50%	0.5	S	S	*	.			trans	-60.9	134.1	172	47.4	0	0	0	0	111.3	D442	S440-D442 VanDerWaalsContact C-N 3.32Å; S440-D442 PolarHBondContact O-N 2.91Å
441	V	49.1	Very low	57.7	Low	98 Å²	98	87.6 Å²	87.6	59%	0.594	48%	0.479	S	S	*	.			trans	-74.5	75.6	-172.3	-172.5	0	0	0	0	111.4
442	D	46.4	Very low	57.5	Low	113 Å²	113	91.8 Å²	91.8	60%	0.604	49%	0.492	S	S	*	.			trans	-68.4	146.1	162.6	-83.7	-24.3	0	0	0	109.9	S440 A444 K476	S440-D442 VanDerWaalsContact C-N 3.32Å; S440-D442 PolarHBondContact O-N 2.91Å; D442-A444 PolarHBondContact O-N 2.84Å; D442-K476 WeakPolarHBondContact O-CE 3.17Å; D442-K476 PolarHBondContact O-NZ 3.34Å
443	Q	49.2	Very low	58.1	Low	185 Å²	185	92.4 Å²	92.4	86%	0.864	49%	0.494	S	S	*	.			trans	-58.5	111.4	178.1	-62	-178.8	7.2	0	0	109.5
444	A	51.2	Low	58.6	Low	30 Å²	30	87 Å²	87	25%	0.248	47%	0.469	C	S	.	.			trans	-81.8	143.2	167.7	0	0	0	0	0	108.1	D442 D446	D442-A444 PolarHBondContact O-N 2.84Å; A444-D446 PolarHBondContact O-N 2.88Å; A444-D446 VanDerWaalsContact O-N 3.07Å
445	D	51.8	Low	59.1	Low	142 Å²	142	83 Å²	83	76%	0.759	45%	0.446	S	S	*	.			trans	-60.2	111	170.1	-83.7	-39.1	0	0	0	109.5	N447	D445-N447 PolarHBondContact O-N 3.48Å
446	D	54.7	Low	59.6	Low	106 Å²	106	83.8 Å²	83.8	57%	0.567	45%	0.448	S	S	*	.			trans	-70.7	6.6	175.9	-84.6	-24.1	0	0	0	112.7	A444 W448	A444-D446 PolarHBondContact O-N 2.88Å; A444-D446 VanDerWaalsContact O-N 3.07Å; D446-W448 PolarHBondContact O-N 2.98Å
447	N	57.3	Low	59.9	Low	150 Å²	150	83.1 Å²	83.1	80%	0.802	44%	0.441	S	S	*	.			trans	-90.6	56.7	-177.4	-80	27.6	0	0	0	112.8	D445	D445-N447 PolarHBondContact O-N 3.48Å
448	W	59	Low	60.1	Low	53 Å²	53	80.4 Å²	80.4	20%	0.201	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-69.9	163.3	168.2	-64.4	93.3	0	0	0	110.6	Y70 D446 L458 Y470 A473	Y70-W448 HydrophobicContact CD1-CB 3.57Å; Y70-W448 HydrophobicContact CE1-CB 3.43Å; Y70-W448 VanDerWaalsContact CE1-CB 3.43Å; Y70-W448 WeakPolarHBondContact CE1-O 3.3Å; Y70-W448 HydrophobicContact CG-CB 4.5Å; Y70-W448 VanDerWaalsContact CZ-C 3.45Å; Y70-W448 VanDerWaalsContact OH-C 3.28Å; Y70-W448 PolarHBondContact OH-O 2.87Å; D446-W448 PolarHBondContact O-N 2.98Å; W448-L458 HydrophobicContact CE3-CD1 3.8Å; W448-L458 HydrophobicContact CE3-CD2 3.81Å; W448-L458 HydrophobicContact CE3-CG 4.2Å; W448-L458 HydrophobicContact CZ3-CD1 3.99Å; W448-L458 HydrophobicContact CZ3-CD2 3.78Å; W448-L458 HydrophobicContact CZ3-CG 4.44Å; W448-Y470 HydrophobicContact CH2-CD2 4.39Å; W448-Y470 HydrophobicContact CH2-CE2 4.25Å; W448-Y470 HydrophobicContact CZ3-CD2 4.09Å; W448-Y470 AromaticContact CZ3-CE2 3.77Å; W448-Y470 HydrophobicContact CZ3-CE2 3.77Å; W448-A473 HydrophobicContact CH2-CB 3.75Å; W448-A473 HydrophobicContact CZ2-CB 4.04Å
449	P	57.8	Low	60.1	Low	57 Å²	57	73.1 Å²	73.1	37%	0.37	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-92.6	145.1	171.1	32.2	-33.7	0	0	0	113.3	Y70 V451 P459	Y70-P449 WeakPolarHBondContact CE1-O 3.5Å; Y70-P449 WeakPolarHBondContact OH-CA 3.48Å; P449-V451 PolarHBondContact O-N 3.3Å; P449-P459 HydrophobicContact CB-CG 4.04Å; P449-P459 HydrophobicContact CG-CG 3.69Å
450	P	61.7	Low	60.1	Low	69 Å²	69	73.6 Å²	73.6	45%	0.448	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-65.6	134.3	-162.7	25.4	-34.1	0	0	0	112	Y70 R452	Y70-P450 WeakPolarHBondContact OH-CA 3.43Å; Y70-P450 WeakPolarHBondContact OH-CD 3.26Å; P450-R452 PolarHBondContact O-N 3.18Å
451	V	68.6	Low	59.6	Low	26 Å²	26	75.1 Å²	75.1	16%	0.158	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-64	119.3	178.6	176.9	0	0	0	0	110.2	T162 P449 Y453 Q456	T162-V451 HydrophobicContact CG2-CG1 4.38Å; T162-V451 PolarHBondContact OG1-O 3.06Å; T162-V451 VanDerWaalsContact OG1-O 3.13Å; P449-V451 PolarHBondContact O-N 3.3Å; V451-Y453 WeakPolarHBondContact CG1-O 3.44Å; V451-Q456 WeakPolarHBondContact CG1-O 3.47Å
452	R	72.2	Confident	59.3	Low	132 Å²	132	74 Å²	74	50%	0.498	40%	0.4	S	S	.	.			trans	-83	-30.4	-177.5	-63.2	-171.3	-172.4	175.4	11	113	K161 T162 P450 E461	K161-R452 VanDerWaalsContact CA-O 3.27Å; K161-R452 WeakPolarHBondContact CA-O 3.04Å; T162-R452 PolarHBondContact N-O 2.81Å; T162-R452 PolarHBondContact OG1-O 3.16Å; P450-R452 PolarHBondContact O-N 3.18Å; R452-E461 IonicContact NH2-OE2 3.55Å
453	Y	82	Confident	59.1	Low	13 Å²	13	75.9 Å²	75.9	5%	0.051	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-130.1	146.2	-176	-61.2	-91	0	0	0	112.1	M157 L160 K161 V451 G455 Q456	M157-Y453 HydrophobicContact CB-CE2 3.76Å; M157-Y453 WeakPolarHBondContact O-CD2 3Å; M157-Y453 WeakPolarHBondContact O-CE2 3.29Å; L160-Y453 CarbonylContact O-C 3.34Å; L160-Y453 VanDerWaalsContact O-CA 3.25Å; L160-Y453 WeakPolarHBondContact O-CA 3.26Å; K161-Y453 HydrophobicContact CB-CD1 4.41Å; K161-Y453 HydrophobicContact CB-CE1 4.38Å; K161-Y453 HydrophobicContact CD-CE1 4.25Å; K161-Y453 WeakPolarHBondContact CE-OH 3.47Å; K161-Y453 HydrophobicContact CG-CD1 3.76Å; K161-Y453 HydrophobicContact CG-CE1 3.29Å; V451-Y453 WeakPolarHBondContact CG1-O 3.44Å; Y453-G455 PolarHBondContact O-N 2.87Å; Y453-Q456 VanDerWaalsContact CD2-OE1 3.26Å; Y453-Q456 PolarHBondContact O-N 2.86Å
454	Y	82	Confident	58.8	Low	9 Å²	9	76 Å²	76	4%	0.035	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	134.7	179.9	-70.2	-73.8	0	0	0	112.3	M72 P78 L160 K161 T162 M165 F338 Q456	M72-Y454 HydrophobicContact CE-CD1 4.44Å; M72-Y454 HydrophobicContact CE-CE1 4.02Å; M72-Y454 HydrophobicContact SD-CE1 4.09Å; P78-Y454 HydrophobicContact CB-CE1 4.04Å; P78-Y454 HydrophobicContact CG-CE1 3.79Å; L160-Y454 HydrophobicContact CB-CD2 4.05Å; L160-Y454 HydrophobicContact CD2-CD2 3.79Å; L160-Y454 HydrophobicContact CD2-CE2 3.94Å; L160-Y454 HydrophobicContact CG-CD2 3.84Å; L160-Y454 HydrophobicContact CG-CE2 4.11Å; L160-Y454 WeakPolarHBondContact O-CD2 3.01Å; L160-Y454 PolarHBondContact O-N 2.98Å; K161-Y454 WeakPolarHBondContact O-CE2 3.4Å; T162-Y454 HydrophobicContact CG2-CD1 4.04Å; T162-Y454 HydrophobicContact CG2-CE1 4.15Å; T162-Y454 HydrophobicContact CG2-CG 4.24Å; T162-Y454 PolarHBondContact O-OH 2.72Å; M165-Y454 HydrophobicContact CE-CE1 4.49Å; M165-Y454 HydrophobicContact CE-CE2 3.57Å; M165-Y454 VanDerWaalsContact CE-CZ 3.5Å; M165-Y454 WeakPolarHBondContact CE-OH 3.16Å; F338-Y454 AromaticContact CE2-CD1 3.73Å; F338-Y454 HydrophobicContact CE2-CD1 3.73Å; F338-Y454 AromaticContact CE2-CD2 3.9Å; F338-Y454 HydrophobicContact CE2-CD2 3.9Å; F338-Y454 HydrophobicContact CE2-CE1 4.25Å; F338-Y454 HydrophobicContact CE2-CE2 4.38Å; F338-Y454 AromaticContact CE2-CG 3.53Å; F338-Y454 HydrophobicContact CE2-CG 3.53Å; F338-Y454 AromaticContact CZ-CD1 3.84Å; F338-Y454 HydrophobicContact CZ-CD1 3.84Å; F338-Y454 HydrophobicContact CZ-CE1 4.34Å; F338-Y454 HydrophobicContact CZ-CG 4.09Å; Y454-Q456 PolarHBondContact O-N 3.21Å
455	G	75.9	Confident	58.6	Low	13 Å²	13	78.5 Å²	78.5	13%	0.134	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	0.4	178.4	0	0	0	0	0	114.9	T330 E331 Y453	T330-G455 PolarHBondContact OG1-O 3.23Å; E331-G455 PolarHBondContact N-O 2.89Å; Y453-G455 PolarHBondContact O-N 2.87Å
456	Q	74.5	Confident	59	Low	41 Å²	41	74.5 Å²	74.5	19%	0.192	41%	0.414	C	S	.	.			trans	-83.3	135.6	163.9	-65.6	-166.4	-21	0	0	109.6	M157 E331 V451 Y453 Y454	M157-Q456 VanDerWaalsContact O-CD 3.23Å; M157-Q456 PolarHBondContact O-NE2 3.42Å; M157-Q456 PolarHBondContact O-OE1 3.4Å; E331-Q456 HydrophobicContact CB-CG 4.36Å; E331-Q456 HydrophobicContact CG-CG 4.37Å; E331-Q456 PolarHBondContact OE1-NE2 3.45Å; E331-Q456 PolarHBondContact OE2-NE2 2.84Å; V451-Q456 WeakPolarHBondContact CG1-O 3.47Å; Y453-Q456 VanDerWaalsContact CD2-OE1 3.26Å; Y453-Q456 PolarHBondContact O-N 2.86Å; Y454-Q456 PolarHBondContact O-N 3.21Å
457	R	64.3	Low	59.3	Low	47 Å²	47	74.6 Å²	74.6	18%	0.177	41%	0.412	C	S	.	.			trans	-83.7	-34	180	-63.3	-177	179.3	-173.1	-5.8	111.2	E379	E379-R457 VanDerWaalsContact CD-NH1 3.27Å; E379-R457 IonicContact OE1-CZ 3.19Å; E379-R457 IonicContact OE1-NH1 3.24Å; E379-R457 PolarHBondContact OE1-NH1 3.19Å; E379-R457 IonicContact OE1-NH2 2.71Å; E379-R457 PolarHBondContact OE1-NH2 3.28Å; E379-R457 IonicContact OE2-CZ 3.83Å; E379-R457 IonicContact OE2-NH1 3.81Å; E379-R457 PolarHBondContact OE2-NH1 3.26Å; E379-R457 IonicContact OE2-NH2 3.65Å; E379-R457 PolarHBondContact OE2-NH2 3.32Å
458	L	58.1	Low	59.7	Low	38 Å²	38	70.6 Å²	70.6	20%	0.199	40%	0.4	C	S	.	.	S	Bend	trans	-153.5	159.8	-178.4	-102	86.8	0	0	0	115.4	W448 Y470	W448-L458 HydrophobicContact CE3-CD1 3.8Å; W448-L458 HydrophobicContact CE3-CD2 3.81Å; W448-L458 HydrophobicContact CE3-CG 4.2Å; W448-L458 HydrophobicContact CZ3-CD1 3.99Å; W448-L458 HydrophobicContact CZ3-CD2 3.78Å; W448-L458 HydrophobicContact CZ3-CG 4.44Å; L458-Y470 HydrophobicContact CB-CE2 4.38Å; L458-Y470 VanDerWaalsContact CB-OH 3.31Å; L458-Y470 WeakPolarHBondContact CB-OH 3.4Å; L458-Y470 HydrophobicContact CD1-CE2 3.72Å; L458-Y470 WeakPolarHBondContact CD1-OH 3.36Å; L458-Y470 HydrophobicContact CD2-CD2 4.09Å; L458-Y470 HydrophobicContact CD2-CE2 3.22Å; L458-Y470 HydrophobicContact CG-CE2 3.9Å; L458-Y470 WeakPolarHBondContact CG-OH 3.46Å
459	P	48.8	Very low	60	Low	24 Å²	24	72.8 Å²	72.8	16%	0.156	42%	0.419	C	S	.	.			trans	-69.6	138.1	173.5	-10.9	27.2	0	0	0	111.9	P449 E461	P449-P459 HydrophobicContact CB-CG 4.04Å; P449-P459 HydrophobicContact CG-CG 3.69Å; P459-E461 PolarHBondContact O-N 3.39Å
460	S	48.5	Very low	60.1	Low	98 Å²	98	73.2 Å²	73.2	69%	0.685	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	12.8	177.4	-166.6	0	0	0	0	115.9
461	E	39	Very low	60.4	Low	134 Å²	134	74.1 Å²	74.1	63%	0.626	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	14.4	-168.6	-69.1	178.4	161.6	0	0	114.5	R452 P459	R452-E461 IonicContact NH2-OE2 3.55Å; P459-E461 PolarHBondContact O-N 3.39Å
462	A	42.9	Very low	60.3	Low	75 Å²	75	75.7 Å²	75.7	62%	0.62	43%	0.426	S	S	*	.	S	Bend	trans	-87.9	122.4	169.8	0	0	0	0	0	109.8
463	D	41.9	Very low	60	Low	151 Å²	151	71 Å²	71	81%	0.807	42%	0.415	S	S	*	.			trans	-39.4	140	-178.9	-65	-54.2	0	0	0	113.8	A465	D463-A465 PolarHBondContact O-N 3.31Å
464	H	42.4	Very low	59.4	Low	187 Å²	187	71.4 Å²	71.4	87%	0.866	42%	0.418	S	S	*	.			trans	-65	29.4	-176.2	-68.2	75.1	0	0	0	114.6	S466	H464-S466 PolarHBondContact O-N 2.91Å
465	A	48.1	Very low	58.8	Low	84 Å²	84	76.6 Å²	76.6	69%	0.694	44%	0.438	S	S	*	.	S	Bend	trans	-70	71.6	173.8	0	0	0	0	0	110.4	D463	D463-A465 PolarHBondContact O-N 3.31Å
466	S	59.2	Low	58.5	Low	58 Å²	58	78.7 Å²	78.7	41%	0.406	44%	0.443	S	S	.	.			trans	53.6	110.3	-175.8	79.1	0	0	0	0	115.4	H464 A468 V469	H464-S466 PolarHBondContact O-N 2.91Å; S466-A468 PolarHBondContact O-N 3.17Å; S466-V469 PolarHBondContact O-N 3.23Å; S466-V469 VanDerWaalsContact O-N 3.1Å; S466-V469 WeakPolarHBondContact OG-CB 3.41Å; S466-V469 WeakPolarHBondContact OG-CG2 3.4Å; S466-V469 PolarHBondContact OG-N 3.38Å
467	M	61.2	Low	58.3	Low	107 Å²	107	79.1 Å²	79.1	53%	0.527	44%	0.443	S	S	.	.	H	α-helix	trans	-47.5	-24.2	164.8	-171.3	64.9	68.5	0	0	112.5	Y470 K471	M467-Y470 HydrophobicContact SD-CD1 3.98Å; M467-K471 WeakPolarHBondContact O-CG 3.4Å; M467-K471 PolarHBondContact O-N 3.37Å
468	A	65.4	Low	58.7	Low	66 Å²	66	78 Å²	78	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-49.5	176.4	0	0	0	0	0	114.2	S466 Y470 K471 A472	S466-A468 PolarHBondContact O-N 3.17Å; A468-Y470 PolarHBondContact O-N 2.85Å; A468-K471 WeakPolarHBondContact O-CB 3.21Å; A468-K471 PolarHBondContact O-N 2.96Å; A468-A472 PolarHBondContact O-N 3.46Å
469	V	65.6	Low	59.4	Low	100 Å²	100	78 Å²	78	61%	0.606	44%	0.439	S	S	*	.	H	α-helix	trans	-60.8	-40.4	177.7	170	0	0	0	0	110.3	S466 A472 A473	S466-V469 PolarHBondContact O-N 3.23Å; S466-V469 VanDerWaalsContact O-N 3.1Å; S466-V469 WeakPolarHBondContact OG-CB 3.41Å; S466-V469 WeakPolarHBondContact OG-CG2 3.4Å; S466-V469 PolarHBondContact OG-N 3.38Å; V469-A472 PolarHBondContact O-N 3.38Å; V469-A473 PolarHBondContact O-N 3.38Å
470	Y	60.6	Low	60.4	Low	65 Å²	65	82.6 Å²	82.6	26%	0.255	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-45.9	174.7	172.2	-107.6	0	0	0	113.2	W448 L458 M467 A468 A472 A473 L474	W448-Y470 HydrophobicContact CH2-CD2 4.39Å; W448-Y470 HydrophobicContact CH2-CE2 4.25Å; W448-Y470 HydrophobicContact CZ3-CD2 4.09Å; W448-Y470 AromaticContact CZ3-CE2 3.77Å; W448-Y470 HydrophobicContact CZ3-CE2 3.77Å; L458-Y470 HydrophobicContact CB-CE2 4.38Å; L458-Y470 VanDerWaalsContact CB-OH 3.31Å; L458-Y470 WeakPolarHBondContact CB-OH 3.4Å; L458-Y470 HydrophobicContact CD1-CE2 3.72Å; L458-Y470 WeakPolarHBondContact CD1-OH 3.36Å; L458-Y470 HydrophobicContact CD2-CD2 4.09Å; L458-Y470 HydrophobicContact CD2-CE2 3.22Å; L458-Y470 HydrophobicContact CG-CE2 3.9Å; L458-Y470 WeakPolarHBondContact CG-OH 3.46Å; M467-Y470 HydrophobicContact SD-CD1 3.98Å; A468-Y470 PolarHBondContact O-N 2.85Å; Y470-A472 VanDerWaalsContact C-N 3.28Å; Y470-A472 PolarHBondContact O-N 2.88Å; Y470-A473 PolarHBondContact O-N 3.04Å; Y470-L474 PolarHBondContact O-N 2.64Å
471	K	66.3	Low	61.4	Low	89 Å²	89	80.1 Å²	80.1	39%	0.387	43%	0.431	S	S	.	.	H	α-helix	trans	-57.3	-41.6	174.9	-76.7	174.2	-154.1	-168.8	0	111.9	Y374 M467 A468 R475	Y374-K471 HydrophobicContact CD1-CD 4.17Å; Y374-K471 HydrophobicContact CD1-CG 4.31Å; Y374-K471 HydrophobicContact CE1-CD 4.12Å; M467-K471 WeakPolarHBondContact O-CG 3.4Å; M467-K471 PolarHBondContact O-N 3.37Å; A468-K471 WeakPolarHBondContact O-CB 3.21Å; A468-K471 PolarHBondContact O-N 2.96Å; K471-R475 VanDerWaalsContact O-CB 3.29Å; K471-R475 WeakPolarHBondContact O-CB 3.33Å; K471-R475 PolarHBondContact O-N 3.42Å
472	A	66.5	Low	63	Low	58 Å²	58	73.9 Å²	73.9	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-45.6	178.9	0	0	0	0	0	111.6	A468 V469 Y470 L474 R475 K476	A468-A472 PolarHBondContact O-N 3.46Å; V469-A472 PolarHBondContact O-N 3.38Å; Y470-A472 VanDerWaalsContact C-N 3.28Å; Y470-A472 PolarHBondContact O-N 2.88Å; A472-L474 PolarHBondContact O-N 3.16Å; A472-R475 PolarHBondContact O-N 3.06Å; A472-K476 WeakPolarHBondContact O-CB 3.24Å; A472-K476 PolarHBondContact O-N 2.94Å
473	A	67.7	Low	64.5	Low	33 Å²	33	73 Å²	73	27%	0.273	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-42.5	177.7	0	0	0	0	0	112.6	W448 V469 Y470 K476 Y477	W448-A473 HydrophobicContact CH2-CB 3.75Å; W448-A473 HydrophobicContact CZ2-CB 4.04Å; V469-A473 PolarHBondContact O-N 3.38Å; Y470-A473 PolarHBondContact O-N 3.04Å; A473-K476 PolarHBondContact O-N 3.22Å; A473-Y477 PolarHBondContact O-N 3.05Å
474	L	69	Low	66	Low	22 Å²	22	70 Å²	70	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-46.2	175.3	178.8	64	0	0	0	111.4	Y470 A472 K476 Y477 L478	Y470-L474 PolarHBondContact O-N 2.64Å; A472-L474 PolarHBondContact O-N 3.16Å; L474-K476 VanDerWaalsContact C-N 3.31Å; L474-K476 PolarHBondContact O-N 3.27Å; L474-Y477 PolarHBondContact O-N 2.86Å; L474-L478 HydrophobicContact CD1-CD1 4.16Å; L474-L478 HydrophobicContact CD1-CG 4.28Å; L474-L478 HydrophobicContact CG-CD1 3.89Å; L474-L478 HydrophobicContact CG-CG 4.46Å; L474-L478 WeakPolarHBondContact O-CD1 3.27Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 2.94Å; L474-L478 PolarHBondContact O-N 3.02Å
475	R	69.8	Low	67.5	Low	118 Å²	118	63.3 Å²	63.3	45%	0.445	36%	0.355	S	S	.	.	H	α-helix	trans	-57.2	-45.7	177.3	179.2	-179.1	-69.4	-180	-2	111.2	V376 K471 A472 L478 Y479	V376-R475 HydrophobicContact CG2-CG 4.16Å; K471-R475 VanDerWaalsContact O-CB 3.29Å; K471-R475 WeakPolarHBondContact O-CB 3.33Å; K471-R475 PolarHBondContact O-N 3.42Å; A472-R475 PolarHBondContact O-N 3.06Å; R475-L478 PolarHBondContact O-N 3Å; R475-Y479 HydrophobicContact CG-CD2 3.67Å; R475-Y479 HydrophobicContact CG-CE2 3.38Å; R475-Y479 VanDerWaalsContact O-CD2 3.24Å; R475-Y479 WeakPolarHBondContact O-CD2 3.32Å; R475-Y479 PolarHBondContact O-N 3.3Å
476	K	69.6	Low	69	Low	57 Å²	57	63.6 Å²	63.6	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-43.6	177.3	-171.4	178	179.4	-172.2	0	112.7	D442 A472 A473 L474 L478 Y479 R480	D442-K476 WeakPolarHBondContact O-CE 3.17Å; D442-K476 PolarHBondContact O-NZ 3.34Å; A472-K476 WeakPolarHBondContact O-CB 3.24Å; A472-K476 PolarHBondContact O-N 2.94Å; A473-K476 PolarHBondContact O-N 3.22Å; L474-K476 VanDerWaalsContact C-N 3.31Å; L474-K476 PolarHBondContact O-N 3.27Å; K476-L478 VanDerWaalsContact C-N 3.35Å; K476-L478 PolarHBondContact O-N 2.89Å; K476-Y479 PolarHBondContact O-N 2.79Å; K476-R480 WeakPolarHBondContact O-CB 3.36Å; K476-R480 PolarHBondContact O-N 3.48Å
477	Y	69.7	Low	70.1	Confident	50 Å²	50	61.9 Å²	61.9	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-46.6	174.4	172.8	-94.7	0	0	0	111.6	Y70 A473 L474 R480 H481	Y70-Y477 PolarHBondContact O-OH 3.4Å; Y70-Y477 VanDerWaalsContact O-OH 3.07Å; A473-Y477 PolarHBondContact O-N 3.05Å; L474-Y477 PolarHBondContact O-N 2.86Å; Y477-R480 PolarHBondContact O-N 3.4Å; Y477-H481 PolarHBondContact O-N 2.82Å
478	L	72	Confident	71.2	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-42.8	-178.6	-66.9	163.4	0	0	0	112.1	V376 F378 E379 L474 R475 K476 R480 H481 E482	V376-L478 HydrophobicContact CG2-CD1 4.49Å; F378-L478 HydrophobicContact CE2-CB 4.17Å; F378-L478 HydrophobicContact CZ-CB 3.69Å; E379-L478 VanDerWaalsContact CD-CD1 3.44Å; E379-L478 HydrophobicContact CG-CD1 4.28Å; E379-L478 WeakPolarHBondContact OE1-CD1 3.36Å; E379-L478 WeakPolarHBondContact OE1-CD2 3.33Å; L474-L478 HydrophobicContact CD1-CD1 4.16Å; L474-L478 HydrophobicContact CD1-CG 4.28Å; L474-L478 HydrophobicContact CG-CD1 3.89Å; L474-L478 HydrophobicContact CG-CG 4.46Å; L474-L478 WeakPolarHBondContact O-CD1 3.27Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 2.94Å; L474-L478 PolarHBondContact O-N 3.02Å; R475-L478 PolarHBondContact O-N 3Å; K476-L478 VanDerWaalsContact C-N 3.35Å; K476-L478 PolarHBondContact O-N 2.89Å; L478-R480 PolarHBondContact O-N 3.16Å; L478-H481 PolarHBondContact O-N 3.49Å; L478-E482 VanDerWaalsContact O-CB 3.3Å; L478-E482 WeakPolarHBondContact O-CB 3.46Å; L478-E482 PolarHBondContact O-N 3.44Å
479	Y	72.9	Confident	72.1	Confident	36 Å²	36	57 Å²	57	14%	0.141	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-41.9	174.8	-81.3	-56.2	0	0	0	112.6	V376 F378 S435 I436 R475 K476 H481 E482 A483	V376-Y479 WeakPolarHBondContact CG1-OH 3.1Å; F378-Y479 AromaticContact CD1-CD1 3.95Å; F378-Y479 HydrophobicContact CD1-CD1 3.95Å; F378-Y479 AromaticContact CD1-CE1 3.27Å; F378-Y479 HydrophobicContact CD1-CE1 3.27Å; F378-Y479 AromaticContact CD1-CZ 3.79Å; F378-Y479 AromaticContact CE1-CD1 3.41Å; F378-Y479 HydrophobicContact CE1-CD1 3.41Å; F378-Y479 VanDerWaalsContact CE1-CD1 3.41Å; F378-Y479 HydrophobicContact CE1-CD2 4.3Å; F378-Y479 AromaticContact CE1-CE1 3.02Å; F378-Y479 HydrophobicContact CE1-CE1 3.02Å; F378-Y479 HydrophobicContact CE1-CE2 4.03Å; F378-Y479 HydrophobicContact CE1-CG 4.02Å; F378-Y479 AromaticContact CE1-CZ 3.38Å; F378-Y479 HydrophobicContact CG-CE1 4.37Å; F378-Y479 AromaticContact CZ-CD1 3.92Å; F378-Y479 HydrophobicContact CZ-CD1 3.92Å; F378-Y479 AromaticContact CZ-CE1 3.99Å; F378-Y479 HydrophobicContact CZ-CE1 3.99Å; F378-Y479 HydrophobicContact CZ-CG 4.32Å; S435-Y479 WeakPolarHBondContact CB-OH 3.48Å; I436-Y479 HydrophobicContact CG1-CD1 4.3Å; R475-Y479 HydrophobicContact CG-CD2 3.67Å; R475-Y479 HydrophobicContact CG-CE2 3.38Å; R475-Y479 VanDerWaalsContact O-CD2 3.24Å; R475-Y479 WeakPolarHBondContact O-CD2 3.32Å; R475-Y479 PolarHBondContact O-N 3.3Å; K476-Y479 PolarHBondContact O-N 2.79Å; Y479-H481 VanDerWaalsContact C-N 3.34Å; Y479-H481 PolarHBondContact O-N 3.21Å; Y479-E482 PolarHBondContact O-N 3.4Å; Y479-A483 WeakPolarHBondContact O-CB 3.48Å; Y479-A483 PolarHBondContact O-N 2.95Å
480	R	70.4	Confident	73	Confident	121 Å²	121	55.1 Å²	55.1	46%	0.457	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-42.8	176	-173.6	-178.6	-179.3	119.8	-0.7	111.6	K476 Y477 L478 E482 A483 S484	K476-R480 WeakPolarHBondContact O-CB 3.36Å; K476-R480 PolarHBondContact O-N 3.48Å; Y477-R480 PolarHBondContact O-N 3.4Å; L478-R480 PolarHBondContact O-N 3.16Å; R480-E482 VanDerWaalsContact C-N 3.34Å; R480-A483 PolarHBondContact O-N 3.29Å; R480-S484 PolarHBondContact O-N 3.44Å
481	H	70.2	Confident	74.3	Confident	47 Å²	47	52 Å²	52	22%	0.218	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-43.6	175	-174.3	-97.3	0	0	0	111.1	D73 Y477 L478 Y479 A483 S484	D73-H481 IonicContact OD2-CE1 3.07Å; D73-H481 PolarHBondContact OD2-CE1 2.83Å; D73-H481 IonicContact OD2-ND1 2.67Å; Y477-H481 PolarHBondContact O-N 2.82Å; L478-H481 PolarHBondContact O-N 3.49Å; Y479-H481 VanDerWaalsContact C-N 3.34Å; Y479-H481 PolarHBondContact O-N 3.21Å; H481-A483 VanDerWaalsContact C-N 3.35Å; H481-A483 PolarHBondContact O-N 2.99Å; H481-S484 WeakPolarHBondContact O-CB 3.31Å; H481-S484 PolarHBondContact O-N 3.13Å; H481-S484 VanDerWaalsContact O-N 3.16Å; H481-S484 PolarHBondContact O-OG 2.8Å
482	E	72.7	Confident	75.5	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-37.3	178.4	-162.1	58.6	-167.3	0	0	112.6	F378 R386 R428 L478 Y479 R480 S484 L485 Y487	F378-E482 HydrophobicContact CD2-CG 3.98Å; F378-E482 HydrophobicContact CE2-CB 4.29Å; F378-E482 HydrophobicContact CE2-CG 4.21Å; R386-E482 IonicContact CZ-OE2 3.96Å; R386-E482 IonicContact NH1-OE2 3.27Å; R386-E482 IonicContact NH2-OE2 2.68Å; R386-E482 PolarHBondContact NH2-OE2 3.38Å; R428-E482 IonicContact CZ-OE1 2.84Å; R428-E482 IonicContact CZ-OE2 2.7Å; R428-E482 IonicContact NE-OE1 2.72Å; R428-E482 PolarHBondContact NE-OE1 3.47Å; R428-E482 IonicContact NE-OE2 3.11Å; R428-E482 IonicContact NH2-OE1 3.22Å; R428-E482 PolarHBondContact NH2-OE1 3.21Å; R428-E482 IonicContact NH2-OE2 3.04Å; R428-E482 PolarHBondContact NH2-OE2 3.49Å; L478-E482 VanDerWaalsContact O-CB 3.3Å; L478-E482 WeakPolarHBondContact O-CB 3.46Å; L478-E482 PolarHBondContact O-N 3.44Å; Y479-E482 PolarHBondContact O-N 3.4Å; R480-E482 VanDerWaalsContact C-N 3.34Å; E482-S484 VanDerWaalsContact C-N 3.27Å; E482-S484 PolarHBondContact O-N 2.95Å; E482-L485 PolarHBondContact O-N 3.18Å; E482-Y487 WeakPolarHBondContact CG-OH 3.03Å; E482-Y487 PolarHBondContact O-OH 3.28Å; E482-Y487 PolarHBondContact OE1-OH 2.77Å
483	A	72.5	Confident	76.7	Confident	58 Å²	58	50.3 Å²	50.3	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-23.9	175.2	0	0	0	0	0	113.5	I436 Y479 R480 H481 L485	I436-A483 HydrophobicContact CD1-CB 4.16Å; Y479-A483 WeakPolarHBondContact O-CB 3.48Å; Y479-A483 PolarHBondContact O-N 2.95Å; R480-A483 PolarHBondContact O-N 3.29Å; H481-A483 VanDerWaalsContact C-N 3.35Å; H481-A483 PolarHBondContact O-N 2.99Å; A483-L485 PolarHBondContact O-N 3.49Å
484	S	73.8	Confident	77.7	Confident	88 Å²	88	49 Å²	49	62%	0.615	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.3	179.1	76.7	0	0	0	0	114.1	R480 H481 E482	R480-S484 PolarHBondContact O-N 3.44Å; H481-S484 WeakPolarHBondContact O-CB 3.31Å; H481-S484 PolarHBondContact O-N 3.13Å; H481-S484 VanDerWaalsContact O-N 3.16Å; H481-S484 PolarHBondContact O-OG 2.8Å; E482-S484 VanDerWaalsContact C-N 3.27Å; E482-S484 PolarHBondContact O-N 2.95Å
485	L	75.2	Confident	78.8	Confident	45 Å²	45	48 Å²	48	24%	0.236	25%	0.246	C	C	.	.			trans	-96.5	132	-170.1	-64.6	161.1	0	0	0	111.8	E482 A483 Y487	E482-L485 PolarHBondContact O-N 3.18Å; A483-L485 PolarHBondContact O-N 3.49Å; L485-Y487 WeakPolarHBondContact O-CD2 3.37Å; L485-Y487 WeakPolarHBondContact O-CE2 3.41Å; L485-Y487 PolarHBondContact O-N 3.3Å
486	N	79.4	Confident	79.9	Confident	90 Å²	90	44.9 Å²	44.9	48%	0.481	24%	0.242	S	C	.	.			trans	-85.9	93.6	172.5	-170.5	-20.7	0	0	0	110.2	S488 S489 I490	N486-S488 VanDerWaalsContact C-N 3.34Å; N486-S488 PolarHBondContact O-N 2.95Å; N486-S488 PolarHBondContact OD1-N 3.44Å; N486-S489 VanDerWaalsContact CG-OG 3.3Å; N486-S489 PolarHBondContact O-OG 3.43Å; N486-S489 PolarHBondContact OD1-N 3.08Å; N486-I490 WeakPolarHBondContact O-CG1 3.22Å
487	Y	81.8	Confident	81	Confident	22 Å²	22	44.3 Å²	44.3	9%	0.086	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-45.8	178.2	-59.5	-85.6	0	0	0	112.4	M425 R428 K429 E482 L485 S489 I490 I491	M425-Y487 HydrophobicContact CE-CD1 3.84Å; R428-Y487 HydrophobicContact CG-CE1 4.26Å; K429-Y487 HydrophobicContact CB-CD1 3.99Å; K429-Y487 HydrophobicContact CB-CG 3.98Å; K429-Y487 HydrophobicContact CG-CD2 4.39Å; K429-Y487 HydrophobicContact CG-CG 4.07Å; E482-Y487 WeakPolarHBondContact CG-OH 3.03Å; E482-Y487 PolarHBondContact O-OH 3.28Å; E482-Y487 PolarHBondContact OE1-OH 2.77Å; L485-Y487 WeakPolarHBondContact O-CD2 3.37Å; L485-Y487 WeakPolarHBondContact O-CE2 3.41Å; L485-Y487 PolarHBondContact O-N 3.3Å; Y487-S489 PolarHBondContact O-N 2.84Å; Y487-I490 PolarHBondContact O-N 2.81Å; Y487-I491 WeakPolarHBondContact O-CD1 3.39Å; Y487-I491 WeakPolarHBondContact O-CG1 3.24Å; Y487-I491 PolarHBondContact O-N 3.17Å
488	S	84.6	Confident	82	Confident	16 Å²	16	42 Å²	42	11%	0.112	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-40.3	-169.1	-57.9	0	0	0	0	112	K429 N486 I490 I491 L492 Q525	K429-S488 PolarHBondContact NZ-OG 2.96Å; N486-S488 VanDerWaalsContact C-N 3.34Å; N486-S488 PolarHBondContact O-N 2.95Å; N486-S488 PolarHBondContact OD1-N 3.44Å; S488-I490 PolarHBondContact O-N 3.38Å; S488-I491 PolarHBondContact O-N 3.35Å; S488-L492 WeakPolarHBondContact O-CB 3.48Å; S488-L492 WeakPolarHBondContact O-CG 3.14Å; S488-L492 PolarHBondContact O-N 2.76Å; S488-Q525 VanDerWaalsContact CB-CG 3.44Å
489	S	84.9	Confident	83.1	Confident	54 Å²	54	41.9 Å²	41.9	38%	0.378	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-39.2	177	63.8	0	0	0	0	112.5	N486 Y487 L493	N486-S489 VanDerWaalsContact CG-OG 3.3Å; N486-S489 PolarHBondContact O-OG 3.43Å; N486-S489 PolarHBondContact OD1-N 3.08Å; Y487-S489 PolarHBondContact O-N 2.84Å; S489-L493 WeakPolarHBondContact O-CB 3.4Å; S489-L493 PolarHBondContact O-N 3.45Å
490	I	84.1	Confident	84	Confident	62 Å²	62	42.6 Å²	42.6	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-44.5	176.8	-62	169.4	0	0	0	110.4	M425 N486 Y487 S488 L492 L493 L494	M425-I490 HydrophobicContact CE-CB 4.12Å; M425-I490 HydrophobicContact CE-CD1 4.26Å; M425-I490 HydrophobicContact CE-CG2 3.91Å; M425-I490 HydrophobicContact CG-CG2 4.22Å; M425-I490 HydrophobicContact SD-CG2 4.32Å; N486-I490 WeakPolarHBondContact O-CG1 3.22Å; Y487-I490 PolarHBondContact O-N 2.81Å; S488-I490 PolarHBondContact O-N 3.38Å; I490-L492 PolarHBondContact O-N 3.38Å; I490-L493 PolarHBondContact O-N 2.91Å; I490-L494 HydrophobicContact CG2-CD1 4.07Å; I490-L494 WeakPolarHBondContact O-CG 3.32Å; I490-L494 PolarHBondContact O-N 3.41Å
491	I	88.1	Confident	85	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-46	178.3	-63.4	160	0	0	0	110.3	A422 M425 I426 K429 Y487 S488 L493 L494 L495 Q521	A422-I491 HydrophobicContact CB-CG2 4.34Å; M425-I491 HydrophobicContact CB-CD1 4.1Å; M425-I491 HydrophobicContact CB-CG1 3.44Å; M425-I491 VanDerWaalsContact CB-CG1 3.44Å; M425-I491 HydrophobicContact CG-CG1 4.05Å; I426-I491 HydrophobicContact CD1-CG2 4.36Å; I426-I491 HydrophobicContact CG1-CD1 4Å; I426-I491 HydrophobicContact CG1-CG1 4.48Å; I426-I491 HydrophobicContact CG1-CG2 4.14Å; K429-I491 HydrophobicContact CD-CD1 4.21Å; Y487-I491 WeakPolarHBondContact O-CD1 3.39Å; Y487-I491 WeakPolarHBondContact O-CG1 3.24Å; Y487-I491 PolarHBondContact O-N 3.17Å; S488-I491 PolarHBondContact O-N 3.35Å; I491-L493 VanDerWaalsContact C-N 3.35Å; I491-L493 PolarHBondContact O-N 2.79Å; I491-L494 PolarHBondContact O-N 3.23Å; I491-L495 HydrophobicContact CG2-CD1 3.67Å; I491-L495 HydrophobicContact CG2-CG 4.09Å; I491-L495 WeakPolarHBondContact O-CB 3.47Å; I491-L495 WeakPolarHBondContact O-CG 3.14Å; I491-L495 PolarHBondContact O-N 2.97Å; I491-Q521 HydrophobicContact CB-CG 4.21Å; I491-Q521 HydrophobicContact CG2-CG 3.51Å
492	L	90.8	Very high	86	Confident	22 Å²	22	34.9 Å²	34.9	12%	0.115	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-40.1	178	-74.9	173	0	0	0	112.5	S488 I490 L494 S496 I518 Q521 Y522	S488-L492 WeakPolarHBondContact O-CB 3.48Å; S488-L492 WeakPolarHBondContact O-CG 3.14Å; S488-L492 PolarHBondContact O-N 2.76Å; I490-L492 PolarHBondContact O-N 3.38Å; L492-L494 PolarHBondContact O-N 3.23Å; L492-S496 VanDerWaalsContact O-CB 3.25Å; L492-S496 WeakPolarHBondContact O-CB 3.2Å; L492-S496 PolarHBondContact O-N 3.14Å; L492-S496 PolarHBondContact O-OG 3.39Å; L492-I518 HydrophobicContact CD2-CG2 4.19Å; L492-Q521 HydrophobicContact CD2-CB 3.66Å; L492-Q521 HydrophobicContact CG-CB 4.03Å; L492-Y522 HydrophobicContact CD1-CD1 4.03Å; L492-Y522 HydrophobicContact CD1-CE1 3.8Å; L492-Y522 HydrophobicContact CD2-CD1 4.18Å; L492-Y522 HydrophobicContact CD2-CE1 3.99Å; L492-Y522 HydrophobicContact CD2-CE2 4.42Å; L492-Y522 HydrophobicContact CD2-CG 4.46Å
493	L	90.6	Very high	86.9	Confident	88 Å²	88	40.7 Å²	40.7	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-43.4	174.1	-179.7	61.4	0	0	0	111.7	S489 I490 I491 S496 N497	S489-L493 WeakPolarHBondContact O-CB 3.4Å; S489-L493 PolarHBondContact O-N 3.45Å; I490-L493 PolarHBondContact O-N 2.91Å; I491-L493 VanDerWaalsContact C-N 3.35Å; I491-L493 PolarHBondContact O-N 2.79Å; L493-S496 WeakPolarHBondContact CA-OG 3Å; L493-S496 PolarHBondContact O-OG 3.14Å; L493-N497 WeakPolarHBondContact O-CB 3.49Å; L493-N497 VanDerWaalsContact O-CG 3.23Å; L493-N497 PolarHBondContact O-N 3.45Å; L493-N497 VanDerWaalsContact O-N 3.07Å; L493-N497 PolarHBondContact O-ND2 2.96Å
494	L	88.9	Confident	87.7	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-45.8	178.7	-68.1	168.4	0	0	0	111.9	I388 W392 Y418 A421 A422 M425 I490 I491 L492 N497 A498	I388-L494 HydrophobicContact CG2-CD1 3.52Å; W392-L494 HydrophobicContact CB-CD2 3.9Å; W392-L494 HydrophobicContact CG-CD2 3.9Å; Y418-L494 HydrophobicContact CD1-CD2 4.11Å; A421-L494 HydrophobicContact CB-CD1 4.23Å; A421-L494 HydrophobicContact CB-CD2 4.31Å; A422-L494 HydrophobicContact CB-CB 4.09Å; M425-L494 HydrophobicContact CG-CD1 3.86Å; I490-L494 HydrophobicContact CG2-CD1 4.07Å; I490-L494 WeakPolarHBondContact O-CG 3.32Å; I490-L494 PolarHBondContact O-N 3.41Å; I491-L494 PolarHBondContact O-N 3.23Å; L492-L494 PolarHBondContact O-N 3.23Å; L494-N497 PolarHBondContact O-N 2.76Å; L494-A498 WeakPolarHBondContact O-CB 3.39Å; L494-A498 PolarHBondContact O-N 3.42Å
495	L	93	Very high	88.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-37.8	179.4	-69.6	174.7	0	0	0	111.9	A422 I491 A498 L499 V514 H517 I518 Q521	A422-L495 HydrophobicContact CB-CD2 3.38Å; A422-L495 HydrophobicContact CB-CG 3.65Å; I491-L495 HydrophobicContact CG2-CD1 3.67Å; I491-L495 HydrophobicContact CG2-CG 4.09Å; I491-L495 WeakPolarHBondContact O-CB 3.47Å; I491-L495 WeakPolarHBondContact O-CG 3.14Å; I491-L495 PolarHBondContact O-N 2.97Å; L495-A498 WeakPolarHBondContact O-CB 3.43Å; L495-A498 PolarHBondContact O-N 3.25Å; L495-L499 VanDerWaalsContact O-CB 3.32Å; L495-L499 WeakPolarHBondContact O-CB 3.36Å; L495-L499 PolarHBondContact O-N 2.86Å; L495-V514 HydrophobicContact CB-CG1 4.18Å; L495-V514 HydrophobicContact CD2-CG1 4.17Å; L495-V514 VanDerWaalsContact O-CG1 3.28Å; L495-V514 WeakPolarHBondContact O-CG1 3.44Å; L495-H517 HydrophobicContact CD1-CB 3.84Å; L495-H517 HydrophobicContact CD2-CB 4.1Å; L495-I518 HydrophobicContact CB-CD1 4.04Å; L495-I518 HydrophobicContact CB-CG1 3.53Å; L495-I518 HydrophobicContact CD1-CG1 3.92Å; L495-I518 HydrophobicContact CG-CG1 4.33Å; L495-Q521 HydrophobicContact CD1-CG 4.05Å
496	S	93.1	Very high	89	Confident	53 Å²	53	49.3 Å²	49.3	37%	0.371	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-40.6	175.5	57.7	0	0	0	0	112.1	L492 L493 L499 S500	L492-S496 VanDerWaalsContact O-CB 3.25Å; L492-S496 WeakPolarHBondContact O-CB 3.2Å; L492-S496 PolarHBondContact O-N 3.14Å; L492-S496 PolarHBondContact O-OG 3.39Å; L493-S496 WeakPolarHBondContact CA-OG 3Å; L493-S496 PolarHBondContact O-OG 3.14Å; S496-L499 PolarHBondContact O-N 3.29Å; S496-S500 PolarHBondContact O-N 3.43Å
497	N	91.5	Very high	89.4	Confident	45 Å²	45	46.1 Å²	46.1	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-44.8	171.5	-72.2	-19.5	0	0	0	111.4	Y418 L493 L494 L499 S500 Q501	Y418-N497 HydrophobicContact CD1-CB 3.66Å; Y418-N497 HydrophobicContact CD2-CB 4.28Å; Y418-N497 HydrophobicContact CE1-CB 3.65Å; Y418-N497 HydrophobicContact CE2-CB 4.34Å; Y418-N497 HydrophobicContact CG-CB 4Å; L493-N497 WeakPolarHBondContact O-CB 3.49Å; L493-N497 VanDerWaalsContact O-CG 3.23Å; L493-N497 PolarHBondContact O-N 3.45Å; L493-N497 VanDerWaalsContact O-N 3.07Å; L493-N497 PolarHBondContact O-ND2 2.96Å; L494-N497 PolarHBondContact O-N 2.76Å; N497-L499 PolarHBondContact O-N 3.13Å; N497-S500 WeakPolarHBondContact O-CB 3.31Å; N497-S500 PolarHBondContact O-N 3.42Å; N497-Q501 WeakPolarHBondContact O-CG 3.5Å; N497-Q501 PolarHBondContact O-N 2.87Å; N497-Q501 VanDerWaalsContact O-N 3.11Å
498	A	92.5	Very high	89.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.3	-48	174.3	0	0	0	0	0	111.5	Q419 L494 L495 S500 Q501 F502 V514	Q419-A498 HydrophobicContact CB-CB 4.36Å; L494-A498 WeakPolarHBondContact O-CB 3.39Å; L494-A498 PolarHBondContact O-N 3.42Å; L495-A498 WeakPolarHBondContact O-CB 3.43Å; L495-A498 PolarHBondContact O-N 3.25Å; A498-S500 VanDerWaalsContact C-N 3.32Å; A498-S500 PolarHBondContact O-N 3.35Å; A498-Q501 PolarHBondContact O-N 2.79Å; A498-Q501 VanDerWaalsContact O-N 3.15Å; A498-F502 HydrophobicContact CB-CD2 4.26Å; A498-F502 HydrophobicContact CB-CE2 3.96Å; A498-F502 WeakPolarHBondContact O-CD2 3Å; A498-F502 WeakPolarHBondContact O-CG 3.4Å; A498-F502 PolarHBondContact O-N 2.93Å; A498-V514 HydrophobicContact CB-CG1 4.41Å; A498-V514 HydrophobicContact CB-CG2 4.34Å
499	L	93.6	Very high	90.1	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.12	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-42.3	179.2	-175.6	65	0	0	0	111.8	L495 S496 N497 F502 K503 K511 V514 M515 I518	L495-L499 VanDerWaalsContact O-CB 3.32Å; L495-L499 WeakPolarHBondContact O-CB 3.36Å; L495-L499 PolarHBondContact O-N 2.86Å; S496-L499 PolarHBondContact O-N 3.29Å; N497-L499 PolarHBondContact O-N 3.13Å; L499-F502 PolarHBondContact O-N 3.15Å; L499-K503 HydrophobicContact CG-CD 4.39Å; L499-K503 WeakPolarHBondContact O-CB 3.24Å; L499-K503 VanDerWaalsContact O-CG 3.28Å; L499-K503 WeakPolarHBondContact O-CG 3.47Å; L499-K503 PolarHBondContact O-N 2.73Å; L499-K511 HydrophobicContact CD1-CB 4.33Å; L499-K511 HydrophobicContact CD1-CG 3.51Å; L499-V514 HydrophobicContact CB-CG1 3.91Å; L499-V514 HydrophobicContact CD1-CG1 4.38Å; L499-M515 HydrophobicContact CD1-CG 3.82Å; L499-M515 HydrophobicContact CD2-CG 4.43Å; L499-I518 HydrophobicContact CB-CD1 4.38Å; L499-I518 HydrophobicContact CD2-CD1 3.94Å
500	S	92.8	Very high	90.3	Very high	52 Å²	52	57 Å²	57	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-45.7	175.5	-176.1	0	0	0	0	111.5	S496 N497 A498 K503 K504	S496-S500 PolarHBondContact O-N 3.43Å; N497-S500 WeakPolarHBondContact O-CB 3.31Å; N497-S500 PolarHBondContact O-N 3.42Å; A498-S500 VanDerWaalsContact C-N 3.32Å; A498-S500 PolarHBondContact O-N 3.35Å; S500-K503 PolarHBondContact O-N 2.84Å; S500-K504 WeakPolarHBondContact O-CG 3.29Å; S500-K504 PolarHBondContact O-N 3.28Å; S500-K504 VanDerWaalsContact O-N 3.07Å
501	Q	90.5	Very high	90.7	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-44.4	178	-62.1	-60.8	-26.5	0	0	112.1	E399 P414 Y418 N497 A498 K503 K504 H505	E399-Q501 PolarHBondContact OE1-NE2 3.37Å; E399-Q501 PolarHBondContact OE2-NE2 3.36Å; E399-Q501 VanDerWaalsContact OE2-NE2 3.09Å; P414-Q501 HydrophobicContact CB-CG 4.31Å; Y418-Q501 HydrophobicContact CD2-CG 4.22Å; Y418-Q501 HydrophobicContact CE2-CG 4.2Å; N497-Q501 WeakPolarHBondContact O-CG 3.5Å; N497-Q501 PolarHBondContact O-N 2.87Å; N497-Q501 VanDerWaalsContact O-N 3.11Å; A498-Q501 PolarHBondContact O-N 2.79Å; A498-Q501 VanDerWaalsContact O-N 3.15Å; Q501-K503 VanDerWaalsContact C-N 3.3Å; Q501-K503 PolarHBondContact O-N 2.7Å; Q501-K504 WeakPolarHBondContact O-CB 3.35Å; Q501-K504 PolarHBondContact O-N 3.03Å; Q501-K504 VanDerWaalsContact O-N 3.14Å; Q501-H505 PolarHBondContact O-CD2 2.96Å; Q501-H505 PolarHBondContact O-N 3.26Å
502	F	92.5	Very high	90.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-33.8	177.9	-68.4	-54.1	0	0	0	113	H413 F416 Q419 A498 L499 R506 A507 M510 K511 V514	H413-F502 AromaticContact CE1-CD1 3.4Å; H413-F502 WeakPolarHBondContact CE1-CD1 3.35Å; H413-F502 AromaticContact CE1-CE1 3.28Å; H413-F502 WeakPolarHBondContact CE1-CE1 3.2Å; H413-F502 AromaticContact NE2-CD1 3.68Å; H413-F502 AromaticContact NE2-CE1 3.75Å; F416-F502 HydrophobicContact CD1-CE1 4.24Å; F416-F502 HydrophobicContact CD1-CZ 4.34Å; F416-F502 HydrophobicContact CD2-CE1 4.48Å; F416-F502 HydrophobicContact CE1-CE1 4.16Å; F416-F502 HydrophobicContact CE2-CE1 4.4Å; F416-F502 HydrophobicContact CG-CE1 4.39Å; F416-F502 HydrophobicContact CZ-CE1 4.25Å; Q419-F502 HydrophobicContact CB-CE2 4.12Å; Q419-F502 HydrophobicContact CB-CZ 4.24Å; Q419-F502 VanDerWaalsContact OE1-CZ 3.24Å; A498-F502 HydrophobicContact CB-CD2 4.26Å; A498-F502 HydrophobicContact CB-CE2 3.96Å; A498-F502 WeakPolarHBondContact O-CD2 3Å; A498-F502 WeakPolarHBondContact O-CG 3.4Å; A498-F502 PolarHBondContact O-N 2.93Å; L499-F502 PolarHBondContact O-N 3.15Å; F502-R506 PolarHBondContact O-N 2.91Å; F502-A507 HydrophobicContact CB-CB 4.29Å; F502-A507 HydrophobicContact CD1-CB 3.83Å; F502-A507 HydrophobicContact CG-CB 4.5Å; F502-A507 PolarHBondContact O-N 2.93Å; F502-M510 HydrophobicContact CD1-CB 3.76Å; F502-M510 HydrophobicContact CD1-CG 4.07Å; F502-M510 HydrophobicContact CD2-CB 4.34Å; F502-M510 HydrophobicContact CD2-CG 4.41Å; F502-M510 HydrophobicContact CE1-CB 3.71Å; F502-M510 HydrophobicContact CE1-CG 3.48Å; F502-M510 VanDerWaalsContact CE1-CG 3.48Å; F502-M510 HydrophobicContact CE2-CB 4.34Å; F502-M510 HydrophobicContact CE2-CG 3.91Å; F502-M510 HydrophobicContact CG-CB 4.08Å; F502-M510 HydrophobicContact CG-CG 4.5Å; F502-M510 HydrophobicContact CZ-CB 4.04Å; F502-M510 HydrophobicContact CZ-CG 3.42Å; F502-M510 VanDerWaalsContact CZ-CG 3.42Å; F502-K511 HydrophobicContact CB-CB 4.42Å; F502-V514 HydrophobicContact CD2-CG2 3.78Å; F502-V514 HydrophobicContact CE2-CG2 3.57Å
503	K	91.5	Very high	91	Very high	123 Å²	123	57.4 Å²	57.4	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-47.1	170.7	-75.4	174.8	178.8	179.7	0	111.4	L499 S500 Q501 H505 R506 K511	L499-K503 HydrophobicContact CG-CD 4.39Å; L499-K503 WeakPolarHBondContact O-CB 3.24Å; L499-K503 VanDerWaalsContact O-CG 3.28Å; L499-K503 WeakPolarHBondContact O-CG 3.47Å; L499-K503 PolarHBondContact O-N 2.73Å; S500-K503 PolarHBondContact O-N 2.84Å; Q501-K503 VanDerWaalsContact C-N 3.3Å; Q501-K503 PolarHBondContact O-N 2.7Å; K503-H505 VanDerWaalsContact C-N 3.33Å; K503-H505 PolarHBondContact O-N 3.35Å; K503-R506 PolarHBondContact O-N 3.32Å; K503-K511 HydrophobicContact CG-CD 4.37Å; K503-K511 HydrophobicContact CG-CG 4.45Å
504	K	89.3	Confident	91.1	Very high	124 Å²	124	53.2 Å²	53.2	54%	0.539	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-41.5	177.6	-70.5	171.7	-172.9	173.7	0	112.3	E399 S500 Q501 R506	E399-K504 IonicContact OE1-NZ 2.89Å; S500-K504 WeakPolarHBondContact O-CG 3.29Å; S500-K504 PolarHBondContact O-N 3.28Å; S500-K504 VanDerWaalsContact O-N 3.07Å; Q501-K504 WeakPolarHBondContact O-CB 3.35Å; Q501-K504 PolarHBondContact O-N 3.03Å; Q501-K504 VanDerWaalsContact O-N 3.14Å; K504-R506 VanDerWaalsContact C-N 3.34Å; K504-R506 PolarHBondContact O-N 3.29Å
505	H	88.3	Confident	91.4	Very high	29 Å²	29	53.6 Å²	53.6	13%	0.134	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	6.2	-178.2	-66.4	-66.8	0	0	0	115	T408 Q410 H413 Q501 K503 A507	T408-H505 PolarHBondContact OG1-CE1 3.04Å; T408-H505 VanDerWaalsContact OG1-CE1 3.26Å; Q410-H505 PolarHBondContact NE2-O 3.21Å; H413-H505 VanDerWaalsContact CB-NE2 3.32Å; H413-H505 WeakPolarHBondContact CB-NE2 3.37Å; H413-H505 AromaticContact CD2-CD2 3.46Å; H413-H505 PolarHBondContact CD2-CD2 2.94Å; H413-H505 VanDerWaalsContact CD2-CD2 3.46Å; H413-H505 AromaticContact CD2-CG 3.53Å; H413-H505 AromaticContact CG-CD2 3.36Å; H413-H505 AromaticContact CG-CG 3.89Å; H413-H505 AromaticContact CG-NE2 3.76Å; H413-H505 AromaticContact ND1-CD2 3.88Å; Q501-H505 PolarHBondContact O-CD2 2.96Å; Q501-H505 PolarHBondContact O-N 3.26Å; K503-H505 VanDerWaalsContact C-N 3.33Å; K503-H505 PolarHBondContact O-N 3.35Å; H505-A507 PolarHBondContact O-N 2.95Å
506	R	88.1	Confident	91.4	Very high	219 Å²	219	54.7 Å²	54.7	83%	0.826	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	29.7	-178.7	-54.9	-178.8	178.9	179.4	-1.5	113.8	F502 K503 K504 F508	F502-R506 PolarHBondContact O-N 2.91Å; K503-R506 PolarHBondContact O-N 3.32Å; K504-R506 VanDerWaalsContact C-N 3.34Å; K504-R506 PolarHBondContact O-N 3.29Å; R506-F508 PolarHBondContact O-N 3.25Å; R506-F508 VanDerWaalsContact O-N 3.08Å
507	A	87.9	Confident	91.3	Very high	24 Å²	24	54.2 Å²	54.2	20%	0.198	25%	0.249	C	C	.	.			trans	-83.5	79	178.7	0	0	0	0	0	111	F502 H505 R509 M510 K511	F502-A507 HydrophobicContact CB-CB 4.29Å; F502-A507 HydrophobicContact CD1-CB 3.83Å; F502-A507 HydrophobicContact CG-CB 4.5Å; F502-A507 PolarHBondContact O-N 2.93Å; H505-A507 PolarHBondContact O-N 2.95Å; A507-R509 PolarHBondContact O-N 3.04Å; A507-M510 HydrophobicContact CB-CB 4.33Å; A507-M510 PolarHBondContact O-N 3.24Å; A507-K511 WeakPolarHBondContact O-CB 3.41Å; A507-K511 PolarHBondContact O-N 2.97Å
508	F	89	Confident	91.5	Very high	92 Å²	92	52.7 Å²	52.7	40%	0.404	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-46.2	-169.9	-177.8	-100.2	0	0	0	114.5	R506 K511 L512 N541	R506-F508 PolarHBondContact O-N 3.25Å; R506-F508 VanDerWaalsContact O-N 3.08Å; F508-K511 WeakPolarHBondContact O-CB 3.45Å; F508-K511 PolarHBondContact O-N 2.94Å; F508-L512 HydrophobicContact CD1-CD1 4.17Å; F508-L512 HydrophobicContact CE1-CD1 3.7Å; F508-L512 HydrophobicContact CZ-CD1 4.14Å; F508-L512 PolarHBondContact O-N 2.67Å; F508-N541 HydrophobicContact CE1-CB 4.45Å; F508-N541 WeakPolarHBondContact CE2-OD1 3.47Å; F508-N541 HydrophobicContact CZ-CB 3.84Å; F508-N541 WeakPolarHBondContact CZ-OD1 3.48Å
509	R	90.9	Very high	91.5	Very high	166 Å²	166	52.7 Å²	52.7	63%	0.626	24%	0.241	S	C	*	.	H	α-helix	trans	-65.4	-42.4	-179.8	-68.9	-179.3	176.4	172.6	1.6	112.3	A507 K511 L512 V513 W547	A507-R509 PolarHBondContact O-N 3.04Å; R509-K511 VanDerWaalsContact C-N 3.33Å; R509-K511 PolarHBondContact O-N 3.35Å; R509-L512 WeakPolarHBondContact O-CB 3.36Å; R509-L512 PolarHBondContact O-N 2.97Å; R509-L512 VanDerWaalsContact O-N 3.11Å; R509-V513 PolarHBondContact O-N 2.69Å; R509-V513 VanDerWaalsContact O-N 3.1Å; R509-W547 HydrophobicContact CG-CH2 4.05Å
510	M	90.3	Very high	91.4	Very high	62 Å²	62	55 Å²	55	31%	0.305	25%	0.251	S	S	.	.	H	α-helix	trans	-69.8	-33.5	-179.2	-138.3	56.6	76.6	0	0	111.8	F416 Q419 F502 A507 L512 V513 V514	F416-M510 HydrophobicContact CE1-CE 4.21Å; F416-M510 HydrophobicContact CE1-CG 4.5Å; Q419-M510 VanDerWaalsContact OE1-CG 3.28Å; F502-M510 HydrophobicContact CD1-CB 3.76Å; F502-M510 HydrophobicContact CD1-CG 4.07Å; F502-M510 HydrophobicContact CD2-CB 4.34Å; F502-M510 HydrophobicContact CD2-CG 4.41Å; F502-M510 HydrophobicContact CE1-CB 3.71Å; F502-M510 HydrophobicContact CE1-CG 3.48Å; F502-M510 VanDerWaalsContact CE1-CG 3.48Å; F502-M510 HydrophobicContact CE2-CB 4.34Å; F502-M510 HydrophobicContact CE2-CG 3.91Å; F502-M510 HydrophobicContact CG-CB 4.08Å; F502-M510 HydrophobicContact CG-CG 4.5Å; F502-M510 HydrophobicContact CZ-CB 4.04Å; F502-M510 HydrophobicContact CZ-CG 3.42Å; F502-M510 VanDerWaalsContact CZ-CG 3.42Å; A507-M510 HydrophobicContact CB-CB 4.33Å; A507-M510 PolarHBondContact O-N 3.24Å; M510-L512 VanDerWaalsContact C-N 3.32Å; M510-L512 PolarHBondContact O-N 3.18Å; M510-V513 PolarHBondContact O-N 3.26Å; M510-V514 WeakPolarHBondContact O-CG2 3.33Å; M510-V514 PolarHBondContact O-N 3.21Å
511	K	92.6	Very high	91.3	Very high	36 Å²	36	52.9 Å²	52.9	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-54.4	-47.7	167.3	179.6	-157.4	164.3	-165.6	0	111	L499 F502 K503 A507 F508 R509 V514 M515 H537	L499-K511 HydrophobicContact CD1-CB 4.33Å; L499-K511 HydrophobicContact CD1-CG 3.51Å; F502-K511 HydrophobicContact CB-CB 4.42Å; K503-K511 HydrophobicContact CG-CD 4.37Å; K503-K511 HydrophobicContact CG-CG 4.45Å; A507-K511 WeakPolarHBondContact O-CB 3.41Å; A507-K511 PolarHBondContact O-N 2.97Å; F508-K511 WeakPolarHBondContact O-CB 3.45Å; F508-K511 PolarHBondContact O-N 2.94Å; R509-K511 VanDerWaalsContact C-N 3.33Å; R509-K511 PolarHBondContact O-N 3.35Å; K511-V514 PolarHBondContact O-N 3.43Å; K511-M515 HydrophobicContact CG-SD 4.21Å; K511-M515 VanDerWaalsContact O-CG 3.23Å; K511-M515 WeakPolarHBondContact O-CG 3.19Å; K511-M515 PolarHBondContact O-N 3.48Å; K511-H537 PolarHBondContact NZ-NE2 3.01Å
512	L	92.1	Very high	91.4	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-43.1	-179.4	-65.3	175.3	0	0	0	112.5	F508 R509 M510 V514 M515 V516 N541 F542	F508-L512 HydrophobicContact CD1-CD1 4.17Å; F508-L512 HydrophobicContact CE1-CD1 3.7Å; F508-L512 HydrophobicContact CZ-CD1 4.14Å; F508-L512 PolarHBondContact O-N 2.67Å; R509-L512 WeakPolarHBondContact O-CB 3.36Å; R509-L512 PolarHBondContact O-N 2.97Å; R509-L512 VanDerWaalsContact O-N 3.11Å; M510-L512 VanDerWaalsContact C-N 3.32Å; M510-L512 PolarHBondContact O-N 3.18Å; L512-V514 PolarHBondContact O-N 3.43Å; L512-M515 WeakPolarHBondContact O-CB 3.27Å; L512-M515 PolarHBondContact O-N 3.49Å; L512-V516 WeakPolarHBondContact O-CG2 3.48Å; L512-V516 PolarHBondContact O-N 3.09Å; L512-V516 VanDerWaalsContact O-N 3.07Å; L512-N541 HydrophobicContact CD1-CB 3.83Å; L512-N541 HydrophobicContact CD2-CB 3.67Å; L512-N541 HydrophobicContact CG-CB 4.4Å; L512-F542 HydrophobicContact CB-CE1 3.88Å; L512-F542 HydrophobicContact CB-CZ 3.86Å; L512-F542 HydrophobicContact CD1-CD1 4.14Å; L512-F542 HydrophobicContact CD1-CE1 3.82Å; L512-F542 HydrophobicContact CG-CE1 4.39Å
513	V	91.5	Very high	91.3	Very high	56 Å²	56	57.1 Å²	57.1	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-48.1	175.9	174.4	0	0	0	0	111.1	R509 M510 M515 V516 H517	R509-V513 PolarHBondContact O-N 2.69Å; R509-V513 VanDerWaalsContact O-N 3.1Å; M510-V513 PolarHBondContact O-N 3.26Å; V513-M515 VanDerWaalsContact C-N 3.31Å; V513-M515 PolarHBondContact O-N 3.34Å; V513-V516 PolarHBondContact O-N 2.93Å; V513-H517 PolarHBondContact O-CD2 3.11Å; V513-H517 PolarHBondContact O-N 2.82Å
514	V	93.6	Very high	91.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-37.9	177.8	172	0	0	0	0	111.9	Q419 L495 A498 L499 F502 M510 K511 L512 V516 H517 I518	Q419-V514 HydrophobicContact CG-CG2 4.28Å; L495-V514 HydrophobicContact CB-CG1 4.18Å; L495-V514 HydrophobicContact CD2-CG1 4.17Å; L495-V514 VanDerWaalsContact O-CG1 3.28Å; L495-V514 WeakPolarHBondContact O-CG1 3.44Å; A498-V514 HydrophobicContact CB-CG1 4.41Å; A498-V514 HydrophobicContact CB-CG2 4.34Å; L499-V514 HydrophobicContact CB-CG1 3.91Å; L499-V514 HydrophobicContact CD1-CG1 4.38Å; F502-V514 HydrophobicContact CD2-CG2 3.78Å; F502-V514 HydrophobicContact CE2-CG2 3.57Å; M510-V514 WeakPolarHBondContact O-CG2 3.33Å; M510-V514 PolarHBondContact O-N 3.21Å; K511-V514 PolarHBondContact O-N 3.43Å; L512-V514 PolarHBondContact O-N 3.43Å; V514-V516 VanDerWaalsContact C-N 3.35Å; V514-V516 PolarHBondContact O-N 3.12Å; V514-H517 PolarHBondContact O-N 3.3Å; V514-I518 HydrophobicContact CG1-CD1 3.89Å; V514-I518 HydrophobicContact CG1-CG1 4.34Å; V514-I518 VanDerWaalsContact O-CG1 3.31Å; V514-I518 WeakPolarHBondContact O-CG1 3.3Å; V514-I518 PolarHBondContact O-N 2.99Å
515	M	94.1	Very high	91	Very high	13 Å²	13	51.1 Å²	51.1	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-41	176.8	-73.9	-176.7	68.2	0	0	112.4	L499 K511 L512 V513 I518 A519 V534 H537 A538	L499-M515 HydrophobicContact CD1-CG 3.82Å; L499-M515 HydrophobicContact CD2-CG 4.43Å; K511-M515 HydrophobicContact CG-SD 4.21Å; K511-M515 VanDerWaalsContact O-CG 3.23Å; K511-M515 WeakPolarHBondContact O-CG 3.19Å; K511-M515 PolarHBondContact O-N 3.48Å; L512-M515 WeakPolarHBondContact O-CB 3.27Å; L512-M515 PolarHBondContact O-N 3.49Å; V513-M515 VanDerWaalsContact C-N 3.31Å; V513-M515 PolarHBondContact O-N 3.34Å; M515-I518 PolarHBondContact O-N 3.06Å; M515-A519 PolarHBondContact O-N 3.49Å; M515-V534 HydrophobicContact CB-CG1 3.95Å; M515-V534 HydrophobicContact CE-CG1 3.95Å; M515-V534 HydrophobicContact CG-CG1 4.48Å; M515-V534 WeakPolarHBondContact O-CG1 3.34Å; M515-H537 HydrophobicContact CE-CB 3.7Å; M515-H537 WeakPolarHBondContact CE-CD2 3.34Å; M515-A538 HydrophobicContact CB-CB 4.48Å
516	V	92.9	Very high	91	Very high	24 Å²	24	54.7 Å²	54.7	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-45.8	175.4	176.5	0	0	0	0	110.6	L512 V513 V514 I518 A519 E520 A538 F542	L512-V516 WeakPolarHBondContact O-CG2 3.48Å; L512-V516 PolarHBondContact O-N 3.09Å; L512-V516 VanDerWaalsContact O-N 3.07Å; V513-V516 PolarHBondContact O-N 2.93Å; V514-V516 VanDerWaalsContact C-N 3.35Å; V514-V516 PolarHBondContact O-N 3.12Å; V516-I518 VanDerWaalsContact C-N 3.32Å; V516-I518 PolarHBondContact O-N 3.37Å; V516-A519 WeakPolarHBondContact O-CB 3.35Å; V516-A519 PolarHBondContact O-N 2.78Å; V516-A519 VanDerWaalsContact O-N 3.14Å; V516-E520 WeakPolarHBondContact O-CG 3.46Å; V516-E520 PolarHBondContact O-N 2.9Å; V516-A538 HydrophobicContact CG2-CB 4.45Å; V516-F542 HydrophobicContact CG2-CE2 3.77Å; V516-F542 HydrophobicContact CG2-CZ 3.96Å
517	H	92.7	Very high	91.2	Very high	44 Å²	44	48.1 Å²	48.1	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-36	176.2	-72.1	-45.9	0	0	0	113.6	L495 V513 V514 E520 Q521	L495-H517 HydrophobicContact CD1-CB 3.84Å; L495-H517 HydrophobicContact CD2-CB 4.1Å; V513-H517 PolarHBondContact O-CD2 3.11Å; V513-H517 PolarHBondContact O-N 2.82Å; V514-H517 PolarHBondContact O-N 3.3Å; H517-E520 IonicContact CE1-OE2 3.65Å; H517-E520 IonicContact CG-OE2 2.73Å; H517-E520 IonicContact ND1-OE2 3.32Å; H517-E520 PolarHBondContact ND1-OE2 3.42Å; H517-E520 PolarHBondContact O-N 2.79Å; H517-Q521 WeakPolarHBondContact O-CG 3.42Å; H517-Q521 PolarHBondContact O-N 3.27Å
518	I	94.1	Very high	91.4	Very high	12 Å²	12	48 Å²	48	6%	0.062	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-45.6	173.6	-72.4	170.2	0	0	0	110.1	L492 L495 L499 V514 M515 V516 E520 Q521 Y522 V534	L492-I518 HydrophobicContact CD2-CG2 4.19Å; L495-I518 HydrophobicContact CB-CD1 4.04Å; L495-I518 HydrophobicContact CB-CG1 3.53Å; L495-I518 HydrophobicContact CD1-CG1 3.92Å; L495-I518 HydrophobicContact CG-CG1 4.33Å; L499-I518 HydrophobicContact CB-CD1 4.38Å; L499-I518 HydrophobicContact CD2-CD1 3.94Å; V514-I518 HydrophobicContact CG1-CD1 3.89Å; V514-I518 HydrophobicContact CG1-CG1 4.34Å; V514-I518 VanDerWaalsContact O-CG1 3.31Å; V514-I518 WeakPolarHBondContact O-CG1 3.3Å; V514-I518 PolarHBondContact O-N 2.99Å; M515-I518 PolarHBondContact O-N 3.06Å; V516-I518 VanDerWaalsContact C-N 3.32Å; V516-I518 PolarHBondContact O-N 3.37Å; I518-E520 PolarHBondContact O-N 3.17Å; I518-Q521 PolarHBondContact O-N 2.8Å; I518-Q521 VanDerWaalsContact O-N 3.16Å; I518-Y522 HydrophobicContact CG2-CD2 3.56Å; I518-Y522 HydrophobicContact CG2-CE2 3.24Å; I518-Y522 WeakPolarHBondContact O-CD2 3.13Å; I518-Y522 PolarHBondContact O-N 2.68Å; I518-V534 HydrophobicContact CG2-CG1 4.41Å; I518-V534 HydrophobicContact CG2-CG2 4.29Å
519	A	93.6	Very high	91.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-41.5	177.6	0	0	0	0	0	112.5	M515 V516 Q521 Y522 F523 V534 L535 L557	M515-A519 PolarHBondContact O-N 3.49Å; V516-A519 WeakPolarHBondContact O-CB 3.35Å; V516-A519 PolarHBondContact O-N 2.78Å; V516-A519 VanDerWaalsContact O-N 3.14Å; A519-Q521 VanDerWaalsContact C-N 3.3Å; A519-Q521 PolarHBondContact O-N 3.23Å; A519-Y522 PolarHBondContact O-N 3.3Å; A519-F523 WeakPolarHBondContact O-CB 3.32Å; A519-F523 PolarHBondContact O-N 3.43Å; A519-V534 HydrophobicContact CB-CB 4.34Å; A519-V534 HydrophobicContact CB-CG1 4.12Å; A519-L535 HydrophobicContact CB-CD1 4.34Å; A519-L535 HydrophobicContact CB-CD2 3.78Å; A519-L535 HydrophobicContact CB-CG 3.68Å; A519-L557 HydrophobicContact CB-CD2 4.41Å
520	E	92.2	Very high	91.7	Very high	72 Å²	72	45.6 Å²	45.6	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-38.6	173.9	-69.7	173	161.3	0	0	112.3	V516 H517 I518 C524 L557	V516-E520 WeakPolarHBondContact O-CG 3.46Å; V516-E520 PolarHBondContact O-N 2.9Å; H517-E520 IonicContact CE1-OE2 3.65Å; H517-E520 IonicContact CG-OE2 2.73Å; H517-E520 IonicContact ND1-OE2 3.32Å; H517-E520 PolarHBondContact ND1-OE2 3.42Å; H517-E520 PolarHBondContact O-N 2.79Å; I518-E520 PolarHBondContact O-N 3.17Å; E520-C524 WeakPolarHBondContact O-CB 3.28Å; E520-C524 PolarHBondContact O-N 3.42Å; E520-C524 PolarHBondContact O-SG 3.22Å; E520-L557 HydrophobicContact CG-CD2 3.89Å
521	Q	90.1	Very high	91.8	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-40.7	176.8	-68.2	-37.6	-62.6	0	0	112.7	I491 L492 L495 H517 I518 A519 F523 C524 Q525	I491-Q521 HydrophobicContact CB-CG 4.21Å; I491-Q521 HydrophobicContact CG2-CG 3.51Å; L492-Q521 HydrophobicContact CD2-CB 3.66Å; L492-Q521 HydrophobicContact CG-CB 4.03Å; L495-Q521 HydrophobicContact CD1-CG 4.05Å; H517-Q521 WeakPolarHBondContact O-CG 3.42Å; H517-Q521 PolarHBondContact O-N 3.27Å; I518-Q521 PolarHBondContact O-N 2.8Å; I518-Q521 VanDerWaalsContact O-N 3.16Å; A519-Q521 VanDerWaalsContact C-N 3.3Å; A519-Q521 PolarHBondContact O-N 3.23Å; Q521-F523 VanDerWaalsContact C-N 3.31Å; Q521-F523 PolarHBondContact O-N 2.99Å; Q521-C524 CarbonylContact O-C 3.37Å; Q521-C524 WeakPolarHBondContact O-CB 3.47Å; Q521-C524 PolarHBondContact O-N 3.3Å; Q521-C524 VanDerWaalsContact O-N 3.16Å; Q521-Q525 PolarHBondContact O-N 2.98Å
522	Y	92.9	Very high	91.9	Very high	55 Å²	55	41.7 Å²	41.7	22%	0.216	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-41.4	173.1	-76.8	-46.9	0	0	0	111.7	L492 I518 A519 C524 Q525 L526 E527 L530 V534	L492-Y522 HydrophobicContact CD1-CD1 4.03Å; L492-Y522 HydrophobicContact CD1-CE1 3.8Å; L492-Y522 HydrophobicContact CD2-CD1 4.18Å; L492-Y522 HydrophobicContact CD2-CE1 3.99Å; L492-Y522 HydrophobicContact CD2-CE2 4.42Å; L492-Y522 HydrophobicContact CD2-CG 4.46Å; I518-Y522 HydrophobicContact CG2-CD2 3.56Å; I518-Y522 HydrophobicContact CG2-CE2 3.24Å; I518-Y522 WeakPolarHBondContact O-CD2 3.13Å; I518-Y522 PolarHBondContact O-N 2.68Å; A519-Y522 PolarHBondContact O-N 3.3Å; Y522-C524 VanDerWaalsContact C-N 3.31Å; Y522-C524 PolarHBondContact O-N 3.07Å; Y522-Q525 CarbonylContact O-C 3.48Å; Y522-Q525 PolarHBondContact O-N 3.49Å; Y522-L526 PolarHBondContact O-N 3.33Å; Y522-E527 HydrophobicContact CD1-CB 4.11Å; Y522-E527 WeakPolarHBondContact CD1-OE2 3.49Å; Y522-E527 VanDerWaalsContact CE1-OE2 3.28Å; Y522-E527 WeakPolarHBondContact CE1-OE2 3.31Å; Y522-E527 PolarHBondContact O-N 3.03Å; Y522-L530 HydrophobicContact CD1-CB 4.27Å; Y522-L530 HydrophobicContact CD1-CD1 4.38Å; Y522-L530 HydrophobicContact CD2-CB 4.05Å; Y522-L530 HydrophobicContact CE1-CB 4.4Å; Y522-L530 HydrophobicContact CE1-CD1 4.01Å; Y522-L530 HydrophobicContact CE2-CB 4.18Å; Y522-L530 HydrophobicContact CG-CB 4.11Å; Y522-V534 HydrophobicContact CD2-CG2 4.42Å; Y522-V534 HydrophobicContact CE2-CG2 4.22Å
523	F	90.5	Very high	91.9	Very high	39 Å²	39	47.5 Å²	47.5	17%	0.171	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-45.1	172.2	179.8	-96.6	0	0	0	111.6	A519 Q521 Q525 L526 F528 L557 K560 C561 L612	A519-F523 WeakPolarHBondContact O-CB 3.32Å; A519-F523 PolarHBondContact O-N 3.43Å; Q521-F523 VanDerWaalsContact C-N 3.31Å; Q521-F523 PolarHBondContact O-N 2.99Å; F523-Q525 PolarHBondContact O-N 3.46Å; F523-L526 PolarHBondContact O-N 3.26Å; F523-L526 VanDerWaalsContact O-N 3.08Å; F523-F528 AromaticContact CD2-CD1 3.86Å; F523-F528 HydrophobicContact CD2-CD1 3.86Å; F523-F528 AromaticContact CD2-CE1 3.71Å; F523-F528 HydrophobicContact CD2-CE1 3.71Å; F523-F528 HydrophobicContact CE2-CD1 4.22Å; F523-F528 AromaticContact CE2-CE1 3.79Å; F523-F528 HydrophobicContact CE2-CE1 3.79Å; F523-L557 HydrophobicContact CB-CD1 3.96Å; F523-L557 HydrophobicContact CD1-CD1 3.94Å; F523-L557 HydrophobicContact CD2-CD1 3.72Å; F523-L557 HydrophobicContact CE1-CD1 4.37Å; F523-L557 HydrophobicContact CE2-CD1 4.17Å; F523-L557 HydrophobicContact CG-CD1 3.58Å; F523-L557 HydrophobicContact CZ-CD1 4.47Å; F523-K560 HydrophobicContact CE2-CB 3.89Å; F523-K560 HydrophobicContact CZ-CB 4.34Å; F523-K560 HydrophobicContact CZ-CD 4.34Å; F523-C561 VanDerWaalsContact CD2-SG 3.55Å; F523-L612 HydrophobicContact CE2-CD2 4.05Å; F523-L612 HydrophobicContact CZ-CD2 3.97Å
524	C	87.5	Confident	92	Very high	69 Å²	69	46.2 Å²	46.2	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-64.8	-22.5	175.7	-73.9	0	0	0	0	114.3	E520 Q521 Y522	E520-C524 WeakPolarHBondContact O-CB 3.28Å; E520-C524 PolarHBondContact O-N 3.42Å; E520-C524 PolarHBondContact O-SG 3.22Å; Q521-C524 CarbonylContact O-C 3.37Å; Q521-C524 WeakPolarHBondContact O-CB 3.47Å; Q521-C524 PolarHBondContact O-N 3.3Å; Q521-C524 VanDerWaalsContact O-N 3.16Å; Y522-C524 VanDerWaalsContact C-N 3.31Å; Y522-C524 PolarHBondContact O-N 3.07Å
525	Q	87	Confident	91.9	Very high	53 Å²	53	46.2 Å²	46.2	25%	0.248	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.7	174	-73.9	-168.6	-33.9	0	0	113.5	S488 Q521 Y522 F523 E527	S488-Q525 VanDerWaalsContact CB-CG 3.44Å; Q521-Q525 PolarHBondContact O-N 2.98Å; Y522-Q525 CarbonylContact O-C 3.48Å; Y522-Q525 PolarHBondContact O-N 3.49Å; F523-Q525 PolarHBondContact O-N 3.46Å; Q525-E527 HydrophobicContact CB-CG 4.26Å; Q525-E527 PolarHBondContact O-N 2.83Å
526	L	87.5	Confident	91.7	Very high	104 Å²	104	48.7 Å²	48.7	55%	0.545	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	19.1	-173.1	-46.3	172.9	0	0	0	113.6	Y522 F523 F528	Y522-L526 PolarHBondContact O-N 3.33Å; F523-L526 PolarHBondContact O-N 3.26Å; F523-L526 VanDerWaalsContact O-N 3.08Å; L526-F528 VanDerWaalsContact C-N 3.33Å; L526-F528 HydrophobicContact CB-CE2 4.05Å; L526-F528 HydrophobicContact CB-CZ 4.06Å; L526-F528 HydrophobicContact CD2-CE1 4.41Å; L526-F528 HydrophobicContact CD2-CE2 4.32Å; L526-F528 HydrophobicContact CD2-CZ 3.64Å; L526-F528 HydrophobicContact CG-CZ 4.49Å; L526-F528 WeakPolarHBondContact O-CD2 3.29Å; L526-F528 PolarHBondContact O-N 2.85Å
527	E	91	Very high	91.6	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	26%	0.259	S	S	.	.			trans	-90.2	66.4	174.4	-66.7	-173.8	176.2	0	0	110.2	Y522 Q525 E529 L530 A531	Y522-E527 HydrophobicContact CD1-CB 4.11Å; Y522-E527 WeakPolarHBondContact CD1-OE2 3.49Å; Y522-E527 VanDerWaalsContact CE1-OE2 3.28Å; Y522-E527 WeakPolarHBondContact CE1-OE2 3.31Å; Y522-E527 PolarHBondContact O-N 3.03Å; Q525-E527 HydrophobicContact CB-CG 4.26Å; Q525-E527 PolarHBondContact O-N 2.83Å; E527-E529 PolarHBondContact O-N 2.91Å; E527-L530 HydrophobicContact CB-CD1 4.39Å; E527-L530 PolarHBondContact O-N 3.34Å; E527-L530 WeakPolarHBondContact OE2-CD1 3.23Å; E527-A531 PolarHBondContact O-N 3.18Å
528	F	92.4	Very high	91.5	Very high	22 Å²	22	49.5 Å²	49.5	10%	0.096	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-36	-169.6	-56.6	-63.9	0	0	0	114.3	F523 L526 L530 A531 L532 C561 A564 T565 T616	F523-F528 AromaticContact CD2-CD1 3.86Å; F523-F528 HydrophobicContact CD2-CD1 3.86Å; F523-F528 AromaticContact CD2-CE1 3.71Å; F523-F528 HydrophobicContact CD2-CE1 3.71Å; F523-F528 HydrophobicContact CE2-CD1 4.22Å; F523-F528 AromaticContact CE2-CE1 3.79Å; F523-F528 HydrophobicContact CE2-CE1 3.79Å; L526-F528 VanDerWaalsContact C-N 3.33Å; L526-F528 HydrophobicContact CB-CE2 4.05Å; L526-F528 HydrophobicContact CB-CZ 4.06Å; L526-F528 HydrophobicContact CD2-CE1 4.41Å; L526-F528 HydrophobicContact CD2-CE2 4.32Å; L526-F528 HydrophobicContact CD2-CZ 3.64Å; L526-F528 HydrophobicContact CG-CZ 4.49Å; L526-F528 WeakPolarHBondContact O-CD2 3.29Å; L526-F528 PolarHBondContact O-N 2.85Å; F528-L530 PolarHBondContact O-N 3.3Å; F528-A531 WeakPolarHBondContact O-CB 3.2Å; F528-A531 PolarHBondContact O-N 3.12Å; F528-L532 WeakPolarHBondContact O-CG 3.28Å; F528-L532 PolarHBondContact O-N 3.06Å; F528-C561 HydrophobicContact CB-CB 4.35Å; F528-A564 HydrophobicContact CD1-CB 3.94Å; F528-A564 HydrophobicContact CD2-CB 3.63Å; F528-A564 HydrophobicContact CE1-CB 4Å; F528-A564 HydrophobicContact CE2-CB 3.69Å; F528-A564 HydrophobicContact CG-CB 3.76Å; F528-A564 HydrophobicContact CZ-CB 3.87Å; F528-T565 HydrophobicContact CB-CG2 3.39Å; F528-T565 HydrophobicContact CG-CG2 4.42Å; F528-T616 HydrophobicContact CE2-CG2 3.75Å; F528-T616 HydrophobicContact CZ-CG2 3.74Å
529	E	92.6	Very high	91.3	Very high	138 Å²	138	49 Å²	49	65%	0.645	25%	0.247	S	C	*	.	H	α-helix	trans	-62.6	-44.1	179.2	-65.6	177.5	-170.4	0	0	112	E527 A531 L532 Q533 T565	E527-E529 PolarHBondContact O-N 2.91Å; E529-A531 VanDerWaalsContact C-N 3.34Å; E529-L532 WeakPolarHBondContact O-CB 3.47Å; E529-L532 PolarHBondContact O-N 3.32Å; E529-Q533 WeakPolarHBondContact O-CG 3.47Å; E529-Q533 PolarHBondContact O-N 2.9Å; E529-Q533 VanDerWaalsContact O-N 3.08Å; E529-T565 HydrophobicContact CG-CG2 3.87Å
530	L	93.5	Very high	90.9	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-38.1	177	-66.2	177.2	0	0	0	111.1	Y522 E527 F528 L532 Q533 V534	Y522-L530 HydrophobicContact CD1-CB 4.27Å; Y522-L530 HydrophobicContact CD1-CD1 4.38Å; Y522-L530 HydrophobicContact CD2-CB 4.05Å; Y522-L530 HydrophobicContact CE1-CB 4.4Å; Y522-L530 HydrophobicContact CE1-CD1 4.01Å; Y522-L530 HydrophobicContact CE2-CB 4.18Å; Y522-L530 HydrophobicContact CG-CB 4.11Å; E527-L530 HydrophobicContact CB-CD1 4.39Å; E527-L530 PolarHBondContact O-N 3.34Å; E527-L530 WeakPolarHBondContact OE2-CD1 3.23Å; F528-L530 PolarHBondContact O-N 3.3Å; L530-L532 VanDerWaalsContact C-N 3.35Å; L530-L532 PolarHBondContact O-N 3.43Å; L530-Q533 PolarHBondContact O-N 3.33Å; L530-V534 WeakPolarHBondContact O-CG2 3.39Å; L530-V534 PolarHBondContact O-N 3.05Å; L530-V534 VanDerWaalsContact O-N 3.13Å
531	A	93.8	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-44.8	173.2	0	0	0	0	0	111.6	E527 F528 E529 Q533 V534 L535	E527-A531 PolarHBondContact O-N 3.18Å; F528-A531 WeakPolarHBondContact O-CB 3.2Å; F528-A531 PolarHBondContact O-N 3.12Å; E529-A531 VanDerWaalsContact C-N 3.34Å; A531-Q533 PolarHBondContact O-N 3.43Å; A531-V534 PolarHBondContact O-N 3.13Å; A531-L535 WeakPolarHBondContact O-CB 3.36Å; A531-L535 VanDerWaalsContact O-CG 3.24Å; A531-L535 WeakPolarHBondContact O-CG 2.97Å; A531-L535 PolarHBondContact O-N 2.71Å
532	L	93.7	Very high	90.5	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-44.9	177.5	-74.3	172.1	0	0	0	112.5	F528 E529 L530 V534 L535 S536 C561 A562 T565 F574	F528-L532 WeakPolarHBondContact O-CG 3.28Å; F528-L532 PolarHBondContact O-N 3.06Å; E529-L532 WeakPolarHBondContact O-CB 3.47Å; E529-L532 PolarHBondContact O-N 3.32Å; L530-L532 VanDerWaalsContact C-N 3.35Å; L530-L532 PolarHBondContact O-N 3.43Å; L532-V534 PolarHBondContact O-N 3.19Å; L532-L535 PolarHBondContact O-N 3.2Å; L532-S536 WeakPolarHBondContact O-CB 3.21Å; L532-S536 PolarHBondContact O-N 3.31Å; L532-C561 HydrophobicContact CD1-CB 4.32Å; L532-C561 HydrophobicContact CD2-CB 3.6Å; L532-C561 HydrophobicContact CG-CB 3.66Å; L532-A562 HydrophobicContact CD2-CB 4.22Å; L532-T565 HydrophobicContact CD1-CG2 4.18Å; L532-F574 HydrophobicContact CD2-CE2 3.6Å; L532-F574 HydrophobicContact CD2-CZ 4.17Å
533	Q	92.9	Very high	90.1	Very high	123 Å²	123	46.3 Å²	46.3	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-59.5	-47	177.7	-69.8	176.1	10.8	0	0	111.5	E529 L530 A531 S536 H537	E529-Q533 WeakPolarHBondContact O-CG 3.47Å; E529-Q533 PolarHBondContact O-N 2.9Å; E529-Q533 VanDerWaalsContact O-N 3.08Å; L530-Q533 PolarHBondContact O-N 3.33Å; A531-Q533 PolarHBondContact O-N 3.43Å; Q533-S536 PolarHBondContact O-N 3.11Å; Q533-S536 PolarHBondContact O-OG 2.97Å; Q533-H537 PolarHBondContact O-N 3.2Å
534	V	92.8	Very high	89.7	Confident	29 Å²	29	51.9 Å²	51.9	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-43	179.1	176.2	0	0	0	0	111.5	M515 I518 A519 Y522 L530 A531 L532 H537 A538	M515-V534 HydrophobicContact CB-CG1 3.95Å; M515-V534 HydrophobicContact CE-CG1 3.95Å; M515-V534 HydrophobicContact CG-CG1 4.48Å; M515-V534 WeakPolarHBondContact O-CG1 3.34Å; I518-V534 HydrophobicContact CG2-CG1 4.41Å; I518-V534 HydrophobicContact CG2-CG2 4.29Å; A519-V534 HydrophobicContact CB-CB 4.34Å; A519-V534 HydrophobicContact CB-CG1 4.12Å; Y522-V534 HydrophobicContact CD2-CG2 4.42Å; Y522-V534 HydrophobicContact CE2-CG2 4.22Å; L530-V534 WeakPolarHBondContact O-CG2 3.39Å; L530-V534 PolarHBondContact O-N 3.05Å; L530-V534 VanDerWaalsContact O-N 3.13Å; A531-V534 PolarHBondContact O-N 3.13Å; L532-V534 PolarHBondContact O-N 3.19Å; V534-H537 PolarHBondContact O-N 3.49Å; V534-A538 PolarHBondContact O-N 3.05Å
535	L	93.1	Very high	89.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.6	-74.2	169.4	0	0	0	112.2	A519 A531 L532 H537 A538 L539 C554 L557	A519-L535 HydrophobicContact CB-CD1 4.34Å; A519-L535 HydrophobicContact CB-CD2 3.78Å; A519-L535 HydrophobicContact CB-CG 3.68Å; A531-L535 WeakPolarHBondContact O-CB 3.36Å; A531-L535 VanDerWaalsContact O-CG 3.24Å; A531-L535 WeakPolarHBondContact O-CG 2.97Å; A531-L535 PolarHBondContact O-N 2.71Å; L532-L535 PolarHBondContact O-N 3.2Å; L535-H537 VanDerWaalsContact C-N 3.27Å; L535-H537 PolarHBondContact O-N 3.24Å; L535-A538 PolarHBondContact O-N 3.34Å; L535-L539 WeakPolarHBondContact O-CB 3.4Å; L535-L539 WeakPolarHBondContact O-CG 3.49Å; L535-L539 PolarHBondContact O-N 3.48Å; L535-C554 HydrophobicContact CD2-CB 4.06Å; L535-L557 HydrophobicContact CD1-CB 4.33Å; L535-L557 HydrophobicContact CD1-CD2 4.22Å; L535-L557 HydrophobicContact CD1-CG 4.07Å; L535-L557 HydrophobicContact CD2-CD2 4.33Å
536	S	89.7	Confident	89.3	Confident	64 Å²	64	57.6 Å²	57.6	45%	0.448	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-41.8	178.4	75.5	0	0	0	0	111.7	L532 Q533 S540	L532-S536 WeakPolarHBondContact O-CB 3.21Å; L532-S536 PolarHBondContact O-N 3.31Å; Q533-S536 PolarHBondContact O-N 3.11Å; Q533-S536 PolarHBondContact O-OG 2.97Å; S536-S540 PolarHBondContact O-N 3.43Å; S536-S540 VanDerWaalsContact O-N 3.16Å
537	H	90.4	Very high	89.1	Confident	86 Å²	86	56.5 Å²	56.5	40%	0.398	27%	0.267	S	S	.	.	H	α-helix	trans	-69.9	-43.2	176.2	-171.2	87	0	0	0	111.7	K511 M515 Q533 V534 L535 N541	K511-H537 PolarHBondContact NZ-NE2 3.01Å; M515-H537 HydrophobicContact CE-CB 3.7Å; M515-H537 WeakPolarHBondContact CE-CD2 3.34Å; Q533-H537 PolarHBondContact O-N 3.2Å; V534-H537 PolarHBondContact O-N 3.49Å; L535-H537 VanDerWaalsContact C-N 3.27Å; L535-H537 PolarHBondContact O-N 3.24Å; H537-N541 PolarHBondContact O-ND2 3Å
538	A	90.2	Very high	88.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-46.2	178.6	0	0	0	0	0	111.6	M515 V516 V534 L535 S540 N541 F542	M515-A538 HydrophobicContact CB-CB 4.48Å; V516-A538 HydrophobicContact CG2-CB 4.45Å; V534-A538 PolarHBondContact O-N 3.05Å; L535-A538 PolarHBondContact O-N 3.34Å; A538-S540 PolarHBondContact O-N 3.25Å; A538-N541 PolarHBondContact O-N 3.12Å; A538-N541 VanDerWaalsContact O-N 3.15Å; A538-F542 HydrophobicContact CB-CD2 4.42Å; A538-F542 HydrophobicContact CB-CE2 3.98Å; A538-F542 VanDerWaalsContact O-CD2 3.3Å; A538-F542 WeakPolarHBondContact O-CD2 3.18Å; A538-F542 PolarHBondContact O-N 3.36Å
539	L	89.2	Confident	88.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-38.6	-179.8	-77.8	167.5	0	0	0	113.4	L535 N541 F542 R543 M551 C554 V555 F574	L535-L539 WeakPolarHBondContact O-CB 3.4Å; L535-L539 WeakPolarHBondContact O-CG 3.49Å; L535-L539 PolarHBondContact O-N 3.48Å; L539-N541 PolarHBondContact O-N 2.83Å; L539-F542 PolarHBondContact O-N 3.19Å; L539-F542 VanDerWaalsContact O-N 3.16Å; L539-R543 WeakPolarHBondContact O-CB 3.45Å; L539-R543 VanDerWaalsContact O-CG 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.47Å; L539-R543 PolarHBondContact O-N 3.29Å; L539-M551 HydrophobicContact CD2-CB 4.32Å; L539-M551 HydrophobicContact CD2-CG 4.23Å; L539-C554 HydrophobicContact CD1-CB 4.31Å; L539-C554 HydrophobicContact CD2-CB 3.66Å; L539-C554 HydrophobicContact CG-CB 3.96Å; L539-V555 HydrophobicContact CD1-CG2 4.2Å; L539-V555 HydrophobicContact CD2-CG2 3.93Å; L539-F574 HydrophobicContact CD1-CD1 4.36Å; L539-F574 HydrophobicContact CD1-CE1 3.52Å; L539-F574 HydrophobicContact CD1-CZ 4.39Å
540	S	86.3	Confident	88.2	Confident	32 Å²	32	54.7 Å²	54.7	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-54.7	-36.1	174.1	176.3	0	0	0	0	112	S536 A538	S536-S540 PolarHBondContact O-N 3.43Å; S536-S540 VanDerWaalsContact O-N 3.16Å; A538-S540 PolarHBondContact O-N 3.25Å
541	N	86.7	Confident	88	Confident	20 Å²	20	51.5 Å²	51.5	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-78.5	-42.8	176.6	-64.3	-80.5	0	0	0	112.1	F508 L512 H537 A538 L539 R543 K544 D545	F508-N541 HydrophobicContact CE1-CB 4.45Å; F508-N541 WeakPolarHBondContact CE2-OD1 3.47Å; F508-N541 HydrophobicContact CZ-CB 3.84Å; F508-N541 WeakPolarHBondContact CZ-OD1 3.48Å; L512-N541 HydrophobicContact CD1-CB 3.83Å; L512-N541 HydrophobicContact CD2-CB 3.67Å; L512-N541 HydrophobicContact CG-CB 4.4Å; H537-N541 PolarHBondContact O-ND2 3Å; A538-N541 PolarHBondContact O-N 3.12Å; A538-N541 VanDerWaalsContact O-N 3.15Å; L539-N541 PolarHBondContact O-N 2.83Å; N541-R543 VanDerWaalsContact C-N 3.27Å; N541-R543 PolarHBondContact O-N 2.75Å; N541-K544 PolarHBondContact O-N 3.32Å; N541-D545 PolarHBondContact O-N 3.16Å
542	F	87.7	Confident	87.8	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-30.2	177.7	-64.1	-45.7	0	0	0	113.6	L512 V516 A538 L539 D545 R546 W547 L550 M551	L512-F542 HydrophobicContact CB-CE1 3.88Å; L512-F542 HydrophobicContact CB-CZ 3.86Å; L512-F542 HydrophobicContact CD1-CD1 4.14Å; L512-F542 HydrophobicContact CD1-CE1 3.82Å; L512-F542 HydrophobicContact CG-CE1 4.39Å; V516-F542 HydrophobicContact CG2-CE2 3.77Å; V516-F542 HydrophobicContact CG2-CZ 3.96Å; A538-F542 HydrophobicContact CB-CD2 4.42Å; A538-F542 HydrophobicContact CB-CE2 3.98Å; A538-F542 VanDerWaalsContact O-CD2 3.3Å; A538-F542 WeakPolarHBondContact O-CD2 3.18Å; A538-F542 PolarHBondContact O-N 3.36Å; L539-F542 PolarHBondContact O-N 3.19Å; L539-F542 VanDerWaalsContact O-N 3.16Å; F542-D545 PolarHBondContact O-N 3.09Å; F542-R546 PolarHBondContact O-N 3.28Å; F542-W547 AromaticContact CD1-CE3 3.84Å; F542-W547 HydrophobicContact CD1-CE3 3.84Å; F542-W547 HydrophobicContact CD1-CZ3 4.5Å; F542-W547 AromaticContact CE1-CE3 3.92Å; F542-W547 HydrophobicContact CE1-CE3 3.92Å; F542-W547 HydrophobicContact CE1-CZ3 4.24Å; F542-W547 PolarHBondContact O-N 3.36Å; F542-L550 HydrophobicContact CE1-CD1 4.29Å; F542-M551 HydrophobicContact CB-CG 3.59Å; F542-M551 HydrophobicContact CB-SD 4.35Å
543	R	84.4	Confident	87.6	Confident	24 Å²	24	56.7 Å²	56.7	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-42	174.6	-73.5	-178.9	-153.4	117.7	3.6	112.1	L539 N541 D545 R546 M551 E577 D640 M642	L539-R543 WeakPolarHBondContact O-CB 3.45Å; L539-R543 VanDerWaalsContact O-CG 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.47Å; L539-R543 PolarHBondContact O-N 3.29Å; N541-R543 VanDerWaalsContact C-N 3.27Å; N541-R543 PolarHBondContact O-N 2.75Å; R543-D545 VanDerWaalsContact C-N 3.32Å; R543-D545 PolarHBondContact O-N 3.47Å; R543-R546 PolarHBondContact O-N 2.88Å; R543-M551 HydrophobicContact CG-CE 3.63Å; R543-M551 HydrophobicContact CG-SD 4.29Å; R543-E577 IonicContact CZ-OE1 2.72Å; R543-E577 IonicContact NE-OE1 3.22Å; R543-E577 PolarHBondContact NE-OE1 2.94Å; R543-E577 VanDerWaalsContact NE-OE1 3.11Å; R543-E577 IonicContact NE-OE2 3.8Å; R543-E577 IonicContact NH2-OE1 2.96Å; R543-E577 PolarHBondContact NH2-OE1 2.77Å; R543-E577 IonicContact NH2-OE2 3.21Å; R543-D640 WeakPolarHBondContact CD-O 3.17Å; R543-D640 PolarHBondContact NE-O 3.21Å; R543-D640 PolarHBondContact NH1-O 3.49Å; R543-M642 HydrophobicContact CG-CG 4.37Å
544	K	81.9	Confident	87.5	Confident	155 Å²	155	51 Å²	51	67%	0.674	27%	0.265	S	S	*	.	H	α-helix	trans	-60.5	-42.5	176.2	-67.1	179.5	-179.8	-174.1	0	111.7	N541	N541-K544 PolarHBondContact O-N 3.32Å
545	D	83.1	Confident	87.5	Confident	69 Å²	69	49.6 Å²	49.6	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-85.4	-6.5	-178.1	-68	-14.7	0	0	0	113.6	N541 F542 R543 W547	N541-D545 PolarHBondContact O-N 3.16Å; F542-D545 PolarHBondContact O-N 3.09Å; R543-D545 VanDerWaalsContact C-N 3.32Å; R543-D545 PolarHBondContact O-N 3.47Å; D545-W547 HydrophobicContact CB-CD2 4.35Å; D545-W547 HydrophobicContact CB-CG 4.27Å; D545-W547 PolarHBondContact O-N 3.18Å
546	R	81.9	Confident	87.5	Confident	173 Å²	173	52 Å²	52	65%	0.653	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	42.8	-179.9	-62.9	-173.1	177	-173.3	-1.1	114.1	F542 R543 C548 F582	F542-R546 PolarHBondContact O-N 3.28Å; R543-R546 PolarHBondContact O-N 2.88Å; R546-C548 PolarHBondContact O-N 2.88Å; R546-F582 HydrophobicContact CB-CE1 4.29Å; R546-F582 HydrophobicContact CB-CZ 3.83Å; R546-F582 WeakPolarHBondContact O-CZ 3.44Å
547	W	84	Confident	87.6	Confident	81 Å²	81	49.9 Å²	49.9	31%	0.307	26%	0.255	S	S	.	.			trans	-87.3	84.4	179.4	-71.3	0.6	0	0	0	113.1	R509 F542 D545 S549 L550 M551	R509-W547 HydrophobicContact CG-CH2 4.05Å; F542-W547 AromaticContact CD1-CE3 3.84Å; F542-W547 HydrophobicContact CD1-CE3 3.84Å; F542-W547 HydrophobicContact CD1-CZ3 4.5Å; F542-W547 AromaticContact CE1-CE3 3.92Å; F542-W547 HydrophobicContact CE1-CE3 3.92Å; F542-W547 HydrophobicContact CE1-CZ3 4.24Å; F542-W547 PolarHBondContact O-N 3.36Å; D545-W547 HydrophobicContact CB-CD2 4.35Å; D545-W547 HydrophobicContact CB-CG 4.27Å; D545-W547 PolarHBondContact O-N 3.18Å; W547-S549 PolarHBondContact O-N 3.43Å; W547-L550 HydrophobicContact CB-CD1 4.45Å; W547-L550 HydrophobicContact CD2-CD1 4.23Å; W547-L550 HydrophobicContact CE3-CD1 3.38Å; W547-L550 HydrophobicContact CZ3-CD1 3.93Å; W547-L550 PolarHBondContact O-N 2.91Å; W547-M551 VanDerWaalsContact O-CG 3.31Å; W547-M551 WeakPolarHBondContact O-CG 3.4Å; W547-M551 PolarHBondContact O-N 3.29Å
548	C	84.4	Confident	87.7	Confident	34 Å²	34	45.8 Å²	45.8	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-54.4	-47.1	-170.6	-32.9	0	0	0	0	114.5	R546 L550 M551 K552 F582	R546-C548 PolarHBondContact O-N 2.88Å; C548-L550 PolarHBondContact O-N 2.98Å; C548-M551 PolarHBondContact O-N 3.27Å; C548-K552 WeakPolarHBondContact O-CB 3.38Å; C548-K552 PolarHBondContact O-N 3Å; C548-F582 HydrophobicContact CB-CD1 4.26Å; C548-F582 HydrophobicContact CB-CE1 4.01Å; C548-F582 HydrophobicContact CB-CZ 4.34Å; C548-F582 WeakPolarHBondContact CB-O 3.44Å; C548-F582 WeakPolarHBondContact SG-CE1 3.48Å; C548-F582 WeakPolarHBondContact SG-CE2 3.36Å; C548-F582 WeakPolarHBondContact SG-CZ 3.37Å
549	S	86.2	Confident	87.8	Confident	94 Å²	94	46 Å²	46	66%	0.657	24%	0.237	S	C	*	.	H	α-helix	trans	-66.6	-40.5	-172.4	53.5	0	0	0	0	112.5	W547 K552 A553	W547-S549 PolarHBondContact O-N 3.43Å; S549-K552 WeakPolarHBondContact O-CB 3.4Å; S549-K552 PolarHBondContact O-N 3.23Å; S549-A553 PolarHBondContact O-N 3.33Å
550	L	86.6	Confident	88	Confident	76 Å²	76	47.4 Å²	47.4	40%	0.398	24%	0.243	S	C	.	.	H	α-helix	trans	-72.9	-39.2	176.9	-67	171.5	0	0	0	111.2	F542 W547 C548 K552 A553 C554	F542-L550 HydrophobicContact CE1-CD1 4.29Å; W547-L550 HydrophobicContact CB-CD1 4.45Å; W547-L550 HydrophobicContact CD2-CD1 4.23Å; W547-L550 HydrophobicContact CE3-CD1 3.38Å; W547-L550 HydrophobicContact CZ3-CD1 3.93Å; W547-L550 PolarHBondContact O-N 2.91Å; C548-L550 PolarHBondContact O-N 2.98Å; L550-K552 VanDerWaalsContact C-N 3.34Å; L550-A553 PolarHBondContact O-N 3.26Å; L550-C554 WeakPolarHBondContact O-CB 2.85Å; L550-C554 PolarHBondContact O-N 3.42Å; L550-C554 VanDerWaalsContact O-N 3.08Å; L550-C554 PolarHBondContact O-SG 2.91Å
551	M	88.8	Confident	88.3	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-47.4	170.9	-72	177.4	59.9	0	0	110.8	L539 F542 R543 W547 C548 A553 C554 V555 M583 M642	L539-M551 HydrophobicContact CD2-CB 4.32Å; L539-M551 HydrophobicContact CD2-CG 4.23Å; F542-M551 HydrophobicContact CB-CG 3.59Å; F542-M551 HydrophobicContact CB-SD 4.35Å; R543-M551 HydrophobicContact CG-CE 3.63Å; R543-M551 HydrophobicContact CG-SD 4.29Å; W547-M551 VanDerWaalsContact O-CG 3.31Å; W547-M551 WeakPolarHBondContact O-CG 3.4Å; W547-M551 PolarHBondContact O-N 3.29Å; C548-M551 PolarHBondContact O-N 3.27Å; M551-A553 PolarHBondContact O-N 3.41Å; M551-C554 PolarHBondContact O-N 2.97Å; M551-C554 VanDerWaalsContact O-N 3.12Å; M551-V555 WeakPolarHBondContact O-CB 3.04Å; M551-V555 VanDerWaalsContact O-CG2 3.29Å; M551-V555 WeakPolarHBondContact O-CG2 3.01Å; M551-V555 PolarHBondContact O-N 3.46Å; M551-M583 HydrophobicContact CB-CE 3.98Å; M551-M583 HydrophobicContact CB-SD 3.94Å; M551-M583 HydrophobicContact CE-SD 4.13Å; M551-M642 HydrophobicContact CE-CB 4.32Å; M551-M642 HydrophobicContact CE-CG 4.42Å
552	K	89.8	Confident	88.6	Confident	64 Å²	64	44.9 Å²	44.9	28%	0.278	23%	0.227	S	C	.	.	H	α-helix	trans	-52.5	-51.5	178.7	-168.2	-174.9	-176.4	173.4	0	111.6	C548 S549 L550 C554 V555 V556 M583 N584 F585	C548-K552 WeakPolarHBondContact O-CB 3.38Å; C548-K552 PolarHBondContact O-N 3Å; S549-K552 WeakPolarHBondContact O-CB 3.4Å; S549-K552 PolarHBondContact O-N 3.23Å; L550-K552 VanDerWaalsContact C-N 3.34Å; K552-C554 PolarHBondContact O-N 3.28Å; K552-V555 PolarHBondContact O-N 3.47Å; K552-V556 VanDerWaalsContact O-CG2 3.3Å; K552-V556 WeakPolarHBondContact O-CG2 3.44Å; K552-V556 PolarHBondContact O-N 3Å; K552-M583 VanDerWaalsContact CA-CE 3.49Å; K552-M583 HydrophobicContact CB-CE 4.26Å; K552-M583 WeakPolarHBondContact CD-O 3.25Å; K552-N584 PolarHBondContact NZ-O 3.31Å; K552-F585 HydrophobicContact CB-CZ 4.47Å; K552-F585 HydrophobicContact CD-CE1 4.28Å; K552-F585 HydrophobicContact CD-CZ 4.32Å; K552-F585 VanDerWaalsContact CE-CE1 3.45Å; K552-F585 HydrophobicContact CG-CD1 4.42Å; K552-F585 HydrophobicContact CG-CD2 4.41Å; K552-F585 HydrophobicContact CG-CE1 3.76Å; K552-F585 HydrophobicContact CG-CE2 3.77Å; K552-F585 HydrophobicContact CG-CZ 3.4Å; K552-F585 VanDerWaalsContact CG-CZ 3.4Å
553	A	89.9	Confident	88.8	Confident	61 Å²	61	44.7 Å²	44.7	50%	0.504	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-43.9	178.1	0	0	0	0	0	112.6	S549 L550 M551 L557	S549-A553 PolarHBondContact O-N 3.33Å; L550-A553 PolarHBondContact O-N 3.26Å; M551-A553 PolarHBondContact O-N 3.41Å; A553-L557 PolarHBondContact O-N 2.99Å; A553-L557 VanDerWaalsContact O-N 3.13Å
554	C	91.4	Very high	89.1	Confident	3 Å²	3	44 Å²	44	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-38.9	180	-67.3	0	0	0	0	112.9	L535 L539 L550 M551 K552 L557 G558	L535-C554 HydrophobicContact CD2-CB 4.06Å; L539-C554 HydrophobicContact CD1-CB 4.31Å; L539-C554 HydrophobicContact CD2-CB 3.66Å; L539-C554 HydrophobicContact CG-CB 3.96Å; L550-C554 WeakPolarHBondContact O-CB 2.85Å; L550-C554 PolarHBondContact O-N 3.42Å; L550-C554 VanDerWaalsContact O-N 3.08Å; L550-C554 PolarHBondContact O-SG 2.91Å; M551-C554 PolarHBondContact O-N 2.97Å; M551-C554 VanDerWaalsContact O-N 3.12Å; K552-C554 PolarHBondContact O-N 3.28Å; C554-L557 PolarHBondContact O-N 3.34Å; C554-G558 PolarHBondContact O-N 2.98Å
555	V	91.6	Very high	89.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-39.9	178.4	173.5	0	0	0	0	110.6	L539 M551 K552 L557 G558 L559 F574 E577 T578 M583	L539-V555 HydrophobicContact CD1-CG2 4.2Å; L539-V555 HydrophobicContact CD2-CG2 3.93Å; M551-V555 WeakPolarHBondContact O-CB 3.04Å; M551-V555 VanDerWaalsContact O-CG2 3.29Å; M551-V555 WeakPolarHBondContact O-CG2 3.01Å; M551-V555 PolarHBondContact O-N 3.46Å; K552-V555 PolarHBondContact O-N 3.47Å; V555-L557 VanDerWaalsContact C-N 3.32Å; V555-L557 PolarHBondContact O-N 2.91Å; V555-G558 PolarHBondContact O-N 3.49Å; V555-L559 WeakPolarHBondContact O-CB 3.27Å; V555-L559 PolarHBondContact O-N 3.27Å; V555-F574 HydrophobicContact CG1-CB 4.19Å; V555-F574 HydrophobicContact CG1-CD1 4.14Å; V555-F574 HydrophobicContact CG2-CD1 4.38Å; V555-E577 HydrophobicContact CG1-CB 4.22Å; V555-E577 HydrophobicContact CG2-CB 4.27Å; V555-E577 VanDerWaalsContact CG2-OE2 3.27Å; V555-E577 WeakPolarHBondContact CG2-OE2 3.49Å; V555-T578 HydrophobicContact CG1-CG2 3.33Å; V555-M583 HydrophobicContact CB-CE 3.88Å; V555-M583 HydrophobicContact CG1-CE 4.37Å; V555-M583 HydrophobicContact CG2-CE 3.65Å
556	V	92.4	Very high	89.8	Confident	50 Å²	50	35.1 Å²	35.1	30%	0.303	19%	0.187	S	C	.	.	H	α-helix	trans	-59.5	-44.8	173.1	170.8	0	0	0	0	111	K552 K560 F585	K552-V556 VanDerWaalsContact O-CG2 3.3Å; K552-V556 WeakPolarHBondContact O-CG2 3.44Å; K552-V556 PolarHBondContact O-N 3Å; V556-K560 WeakPolarHBondContact O-CG 3.3Å; V556-K560 PolarHBondContact O-N 2.87Å; V556-F585 HydrophobicContact CG2-CE1 3.49Å; V556-F585 VanDerWaalsContact CG2-CE1 3.49Å; V556-F585 HydrophobicContact CG2-CZ 3.63Å
557	L	92.9	Very high	90.1	Very high	21 Å²	21	29.9 Å²	29.9	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-42.5	176.3	-173.1	62	0	0	0	111.4	A519 E520 F523 L535 A553 C554 V555 L559 K560 C561	A519-L557 HydrophobicContact CB-CD2 4.41Å; E520-L557 HydrophobicContact CG-CD2 3.89Å; F523-L557 HydrophobicContact CB-CD1 3.96Å; F523-L557 HydrophobicContact CD1-CD1 3.94Å; F523-L557 HydrophobicContact CD2-CD1 3.72Å; F523-L557 HydrophobicContact CE1-CD1 4.37Å; F523-L557 HydrophobicContact CE2-CD1 4.17Å; F523-L557 HydrophobicContact CG-CD1 3.58Å; F523-L557 HydrophobicContact CZ-CD1 4.47Å; L535-L557 HydrophobicContact CD1-CB 4.33Å; L535-L557 HydrophobicContact CD1-CD2 4.22Å; L535-L557 HydrophobicContact CD1-CG 4.07Å; L535-L557 HydrophobicContact CD2-CD2 4.33Å; A553-L557 PolarHBondContact O-N 2.99Å; A553-L557 VanDerWaalsContact O-N 3.13Å; C554-L557 PolarHBondContact O-N 3.34Å; V555-L557 VanDerWaalsContact C-N 3.32Å; V555-L557 PolarHBondContact O-N 2.91Å; L557-L559 PolarHBondContact O-N 3.4Å; L557-K560 PolarHBondContact O-N 2.87Å; L557-C561 PolarHBondContact O-N 3.41Å; L557-C561 PolarHBondContact O-SG 3.26Å
558	G	93.3	Very high	90.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-42.7	177.5	0	0	0	0	0	113.1	C554 V555 K560 C561 A562 F574	C554-G558 PolarHBondContact O-N 2.98Å; V555-G558 PolarHBondContact O-N 3.49Å; G558-K560 VanDerWaalsContact C-N 3.33Å; G558-K560 PolarHBondContact O-N 3.49Å; G558-C561 PolarHBondContact O-N 3.05Å; G558-A562 VanDerWaalsContact O-CB 3.3Å; G558-A562 WeakPolarHBondContact O-CB 3.32Å; G558-A562 PolarHBondContact O-N 2.77Å; G558-F574 VanDerWaalsContact C-CD2 3.48Å; G558-F574 WeakPolarHBondContact O-CD2 3.1Å
559	L	92.4	Very high	90.2	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-42.6	176.4	-169.5	70.9	0	0	0	111.2	V555 L557 A562 F563 Y571 F574 S575 V593	V555-L559 WeakPolarHBondContact O-CB 3.27Å; V555-L559 PolarHBondContact O-N 3.27Å; L557-L559 PolarHBondContact O-N 3.4Å; L559-A562 PolarHBondContact O-N 3.47Å; L559-F563 WeakPolarHBondContact O-CB 3.26Å; L559-F563 PolarHBondContact O-N 3.07Å; L559-Y571 HydrophobicContact CD1-CD2 3.64Å; L559-Y571 HydrophobicContact CD1-CE2 3.38Å; L559-Y571 HydrophobicContact CD1-CG 4.32Å; L559-Y571 HydrophobicContact CG-CD2 4.32Å; L559-Y571 HydrophobicContact CG-CE2 3.79Å; L559-F574 HydrophobicContact CB-CB 4.22Å; L559-F574 HydrophobicContact CD1-CB 3.91Å; L559-S575 WeakPolarHBondContact CD1-OG 3.14Å; L559-V593 HydrophobicContact CD2-CG1 4.5Å; L559-V593 HydrophobicContact CD2-CG2 4.11Å
560	K	92.7	Very high	90.3	Very high	28 Å²	28	26.1 Å²	26.1	12%	0.122	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-44.4	175.8	-67	175.6	-172.6	-157.4	0	112.2	F523 V556 L557 G558 A564 E609 A610	F523-K560 HydrophobicContact CE2-CB 3.89Å; F523-K560 HydrophobicContact CZ-CB 4.34Å; F523-K560 HydrophobicContact CZ-CD 4.34Å; V556-K560 WeakPolarHBondContact O-CG 3.3Å; V556-K560 PolarHBondContact O-N 2.87Å; L557-K560 PolarHBondContact O-N 2.87Å; G558-K560 VanDerWaalsContact C-N 3.33Å; G558-K560 PolarHBondContact O-N 3.49Å; K560-A564 WeakPolarHBondContact O-CB 3.33Å; K560-A564 PolarHBondContact O-N 3.04Å; K560-E609 HydrophobicContact CG-CB 4.09Å; K560-A610 WeakPolarHBondContact CE-O 3.19Å; K560-A610 PolarHBondContact NZ-O 3.42Å
561	C	92.2	Very high	90.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-44.9	176.7	-63.7	0	0	0	0	111.5	F523 F528 L532 L557 G558 F563 A564 T565	F523-C561 VanDerWaalsContact CD2-SG 3.55Å; F528-C561 HydrophobicContact CB-CB 4.35Å; L532-C561 HydrophobicContact CD1-CB 4.32Å; L532-C561 HydrophobicContact CD2-CB 3.6Å; L532-C561 HydrophobicContact CG-CB 3.66Å; L557-C561 PolarHBondContact O-N 3.41Å; L557-C561 PolarHBondContact O-SG 3.26Å; G558-C561 PolarHBondContact O-N 3.05Å; C561-F563 VanDerWaalsContact C-N 3.35Å; C561-F563 PolarHBondContact O-N 2.88Å; C561-A564 PolarHBondContact O-N 3.46Å; C561-A564 VanDerWaalsContact O-N 3.15Å; C561-T565 PolarHBondContact O-N 2.95Å; C561-T565 PolarHBondContact O-OG1 3.13Å
562	A	92.1	Very high	90.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.1	-38.7	-179.7	0	0	0	0	0	112	L532 G558 L559 T565 A566 D567 A570 Y571 F574	L532-A562 HydrophobicContact CD2-CB 4.22Å; G558-A562 VanDerWaalsContact O-CB 3.3Å; G558-A562 WeakPolarHBondContact O-CB 3.32Å; G558-A562 PolarHBondContact O-N 2.77Å; L559-A562 PolarHBondContact O-N 3.47Å; A562-T565 PolarHBondContact O-OG1 3.04Å; A562-A566 PolarHBondContact O-N 3.31Å; A562-A566 VanDerWaalsContact O-N 3.14Å; A562-D567 PolarHBondContact O-N 3.26Å; A562-A570 HydrophobicContact CB-CB 3.84Å; A562-Y571 HydrophobicContact CB-CD2 4.22Å; A562-F574 HydrophobicContact CB-CD2 4.03Å; A562-F574 HydrophobicContact CB-CE2 4.33Å
563	F	92.8	Very high	90.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-45.8	170.8	-179.6	-88.6	0	0	0	111.3	L559 C561 T565 A566 Y571 P606 P608 E609 L612 S620 L621 W624	L559-F563 WeakPolarHBondContact O-CB 3.26Å; L559-F563 PolarHBondContact O-N 3.07Å; C561-F563 VanDerWaalsContact C-N 3.35Å; C561-F563 PolarHBondContact O-N 2.88Å; F563-T565 VanDerWaalsContact C-N 3.33Å; F563-T565 PolarHBondContact O-N 2.86Å; F563-A566 PolarHBondContact O-N 2.98Å; F563-Y571 HydrophobicContact CB-CD2 4.11Å; F563-Y571 HydrophobicContact CB-CE2 3.91Å; F563-Y571 HydrophobicContact CD2-CE2 4.24Å; F563-P606 HydrophobicContact CD2-CB 4.41Å; F563-P606 HydrophobicContact CD2-CG 4.19Å; F563-P606 HydrophobicContact CE2-CB 4.04Å; F563-P606 HydrophobicContact CE2-CG 3.79Å; F563-P608 HydrophobicContact CE1-CB 4.44Å; F563-P608 HydrophobicContact CZ-CB 4.17Å; F563-E609 HydrophobicContact CB-CG 3.83Å; F563-E609 HydrophobicContact CD2-CG 4.21Å; F563-E609 HydrophobicContact CG-CG 3.94Å; F563-L612 HydrophobicContact CD1-CD1 3.45Å; F563-L612 VanDerWaalsContact CD1-CD1 3.45Å; F563-L612 HydrophobicContact CE1-CD1 3.94Å; F563-L612 HydrophobicContact CG-CD1 4.43Å; F563-S620 WeakPolarHBondContact CE1-OG 3.42Å; F563-S620 WeakPolarHBondContact O-CB 3.47Å; F563-L621 HydrophobicContact CZ-CD2 4.17Å; F563-W624 HydrophobicContact CD2-CZ2 4.45Å; F563-W624 AromaticContact CD2-NE1 3.72Å; F563-W624 AromaticContact CE2-NE1 3.97Å; F563-W624 PolarHBondContact O-NE1 3.43Å
564	A	90.6	Very high	90.2	Very high	9 Å²	9	19 Å²	19	7%	0.074	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-28.9	-177.4	0	0	0	0	0	113.9	F528 K560 C561 T616	F528-A564 HydrophobicContact CD1-CB 3.94Å; F528-A564 HydrophobicContact CD2-CB 3.63Å; F528-A564 HydrophobicContact CE1-CB 4Å; F528-A564 HydrophobicContact CE2-CB 3.69Å; F528-A564 HydrophobicContact CG-CB 3.76Å; F528-A564 HydrophobicContact CZ-CB 3.87Å; K560-A564 WeakPolarHBondContact O-CB 3.33Å; K560-A564 PolarHBondContact O-N 3.04Å; C561-A564 PolarHBondContact O-N 3.46Å; C561-A564 VanDerWaalsContact O-N 3.15Å; A564-T616 HydrophobicContact CB-CG2 3.97Å
565	T	90.4	Very high	90.1	Very high	36 Å²	36	18.9 Å²	18.9	22%	0.221	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.9	174.3	57.3	0	0	0	0	114	F528 E529 L532 C561 A562 F563 D567	F528-T565 HydrophobicContact CB-CG2 3.39Å; F528-T565 HydrophobicContact CG-CG2 4.42Å; E529-T565 HydrophobicContact CG-CG2 3.87Å; L532-T565 HydrophobicContact CD1-CG2 4.18Å; C561-T565 PolarHBondContact O-N 2.95Å; C561-T565 PolarHBondContact O-OG1 3.13Å; A562-T565 PolarHBondContact O-OG1 3.04Å; F563-T565 VanDerWaalsContact C-N 3.33Å; F563-T565 PolarHBondContact O-N 2.86Å; T565-D567 PolarHBondContact O-N 3.47Å; T565-D567 WeakPolarHBondContact OG1-CB 3.39Å
566	A	88.8	Confident	89.9	Confident	2 Å²	2	19 Å²	19	2%	0.017	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	35.4	-168.2	0	0	0	0	0	113.4	A562 F563 L568 D623 W624 Q627	A562-A566 PolarHBondContact O-N 3.31Å; A562-A566 VanDerWaalsContact O-N 3.14Å; F563-A566 PolarHBondContact O-N 2.98Å; A566-L568 PolarHBondContact O-N 3.43Å; A566-D623 HydrophobicContact CB-CB 3.66Å; A566-W624 HydrophobicContact CB-CD2 4.06Å; A566-W624 HydrophobicContact CB-CG 3.9Å; A566-Q627 HydrophobicContact CB-CG 4.37Å
567	D	88.3	Confident	89.7	Confident	63 Å²	63	16.6 Å²	16.6	34%	0.337	8%	0.083	S	C	.	.			trans	-80.7	100.2	176.6	-178.4	-16.8	0	0	0	109.5	A562 T565 K569 A570 Y571	A562-D567 PolarHBondContact O-N 3.26Å; T565-D567 PolarHBondContact O-N 3.47Å; T565-D567 WeakPolarHBondContact OG1-CB 3.39Å; D567-K569 VanDerWaalsContact C-N 3.31Å; D567-K569 PolarHBondContact O-N 3.37Å; D567-K569 PolarHBondContact OD1-N 3.04Å; D567-A570 HydrophobicContact CB-CB 3.94Å; D567-A570 PolarHBondContact O-N 3.14Å; D567-A570 PolarHBondContact OD1-N 3.36Å; D567-A570 VanDerWaalsContact OD2-CB 3.29Å; D567-A570 WeakPolarHBondContact OD2-CB 3.4Å; D567-Y571 VanDerWaalsContact O-CB 3.26Å; D567-Y571 WeakPolarHBondContact O-CB 3.21Å; D567-Y571 PolarHBondContact O-N 3.19Å
568	L	85.7	Confident	89.5	Confident	8 Å²	8	15.9 Å²	15.9	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-55.9	-44	-179.1	-168.8	63.5	0	0	0	112.7	A566 I572 V600 W624 L628 F740	A566-L568 PolarHBondContact O-N 3.43Å; L568-I572 HydrophobicContact CG-CD1 4.39Å; L568-I572 WeakPolarHBondContact O-CG1 3.5Å; L568-I572 PolarHBondContact O-N 2.92Å; L568-I572 VanDerWaalsContact O-N 3.11Å; L568-V600 HydrophobicContact CD1-CG1 3.48Å; L568-V600 VanDerWaalsContact CD1-CG1 3.48Å; L568-W624 HydrophobicContact CD1-CH2 4.36Å; L568-W624 HydrophobicContact CD1-CZ3 3.77Å; L568-L628 HydrophobicContact CD1-CD2 4.21Å; L568-F740 HydrophobicContact CD1-CE1 3.66Å; L568-F740 HydrophobicContact CD1-CZ 3.45Å; L568-F740 VanDerWaalsContact CD1-CZ 3.45Å; L568-F740 HydrophobicContact CD2-CD1 4.44Å; L568-F740 HydrophobicContact CD2-CD2 4.41Å; L568-F740 HydrophobicContact CD2-CE1 3.8Å; L568-F740 HydrophobicContact CD2-CE2 3.76Å; L568-F740 HydrophobicContact CD2-CZ 3.41Å; L568-F740 VanDerWaalsContact CD2-CZ 3.41Å; L568-F740 HydrophobicContact CG-CE1 4.09Å; L568-F740 HydrophobicContact CG-CE2 4.13Å; L568-F740 HydrophobicContact CG-CZ 3.49Å; L568-F740 VanDerWaalsContact CG-CZ 3.49Å
569	K	85.5	Confident	89.2	Confident	107 Å²	107	15.9 Å²	15.9	47%	0.465	8%	0.08	S	C	.	.	H	α-helix	trans	-70	-46.8	-176.4	-176.2	-179.9	179.9	-180	0	110.8	D567 R573 T634 L635	D567-K569 VanDerWaalsContact C-N 3.31Å; D567-K569 PolarHBondContact O-N 3.37Å; D567-K569 PolarHBondContact OD1-N 3.04Å; K569-R573 WeakPolarHBondContact O-CB 3.36Å; K569-R573 PolarHBondContact O-N 3.24Å; K569-R573 VanDerWaalsContact O-N 3.13Å; K569-T634 HydrophobicContact CB-CG2 3.61Å; K569-T634 HydrophobicContact CD-CG2 4.4Å; K569-T634 HydrophobicContact CG-CG2 3.76Å; K569-L635 WeakPolarHBondContact CE-O 3.09Å
570	A	87.8	Confident	89	Confident	14 Å²	14	17 Å²	17	12%	0.116	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-42.1	177.7	0	0	0	0	0	111.2	A562 D567 R573 F574	A562-A570 HydrophobicContact CB-CB 3.84Å; D567-A570 HydrophobicContact CB-CB 3.94Å; D567-A570 PolarHBondContact O-N 3.14Å; D567-A570 PolarHBondContact OD1-N 3.36Å; D567-A570 VanDerWaalsContact OD2-CB 3.29Å; D567-A570 WeakPolarHBondContact OD2-CB 3.4Å; A570-R573 WeakPolarHBondContact O-CB 3.36Å; A570-R573 PolarHBondContact O-N 3Å; A570-F574 HydrophobicContact CB-CD2 4.39Å; A570-F574 HydrophobicContact CB-CE2 4.08Å; A570-F574 WeakPolarHBondContact O-CD2 3.48Å; A570-F574 PolarHBondContact O-N 3.27Å
571	Y	90.1	Very high	88.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-48.8	-178.4	-168.9	-99.8	0	0	0	111.6	L559 A562 F563 D567 R573 F574 S575 N596 V600 E609 W624	L559-Y571 HydrophobicContact CD1-CD2 3.64Å; L559-Y571 HydrophobicContact CD1-CE2 3.38Å; L559-Y571 HydrophobicContact CD1-CG 4.32Å; L559-Y571 HydrophobicContact CG-CD2 4.32Å; L559-Y571 HydrophobicContact CG-CE2 3.79Å; A562-Y571 HydrophobicContact CB-CD2 4.22Å; F563-Y571 HydrophobicContact CB-CD2 4.11Å; F563-Y571 HydrophobicContact CB-CE2 3.91Å; F563-Y571 HydrophobicContact CD2-CE2 4.24Å; D567-Y571 VanDerWaalsContact O-CB 3.26Å; D567-Y571 WeakPolarHBondContact O-CB 3.21Å; D567-Y571 PolarHBondContact O-N 3.19Å; Y571-R573 VanDerWaalsContact C-N 3.3Å; Y571-R573 PolarHBondContact O-N 3.3Å; Y571-F574 PolarHBondContact O-N 2.92Å; Y571-S575 WeakPolarHBondContact O-CB 3.46Å; Y571-S575 PolarHBondContact O-N 2.83Å; Y571-S575 PolarHBondContact O-OG 3.36Å; Y571-N596 WeakPolarHBondContact OH-CB 3.36Å; Y571-N596 PolarHBondContact OH-ND2 3.37Å; Y571-V600 HydrophobicContact CD1-CG2 4Å; Y571-V600 HydrophobicContact CE1-CG2 3.86Å; Y571-E609 HydrophobicContact CE2-CG 4.46Å; Y571-E609 PolarHBondContact OH-OE1 3.38Å; Y571-W624 AromaticContact CD1-CH2 3.9Å; Y571-W624 HydrophobicContact CD1-CH2 3.9Å; Y571-W624 HydrophobicContact CD1-CZ2 4.3Å; Y571-W624 HydrophobicContact CD2-CZ2 4.19Å; Y571-W624 AromaticContact CG-CH2 3.85Å; Y571-W624 HydrophobicContact CG-CH2 3.85Å; Y571-W624 AromaticContact CG-CZ2 3.95Å; Y571-W624 HydrophobicContact CG-CZ2 3.95Å
572	I	86.8	Confident	88.2	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-43	176.4	-62.4	167.5	0	0	0	110.6	L568 F574 S575 L576 L597 V600 L601 I636 L738 F740	L568-I572 HydrophobicContact CG-CD1 4.39Å; L568-I572 WeakPolarHBondContact O-CG1 3.5Å; L568-I572 PolarHBondContact O-N 2.92Å; L568-I572 VanDerWaalsContact O-N 3.11Å; I572-F574 VanDerWaalsContact C-N 3.35Å; I572-F574 PolarHBondContact O-N 2.79Å; I572-S575 PolarHBondContact O-N 3.05Å; I572-L576 HydrophobicContact CG2-CD1 3.87Å; I572-L576 HydrophobicContact CG2-CG 4.03Å; I572-L576 WeakPolarHBondContact O-CG 3.32Å; I572-L576 PolarHBondContact O-N 2.93Å; I572-L597 HydrophobicContact CB-CD1 4.4Å; I572-L597 HydrophobicContact CG1-CD1 4.14Å; I572-L597 HydrophobicContact CG2-CD1 3.91Å; I572-V600 HydrophobicContact CG1-CG1 4.36Å; I572-L601 HydrophobicContact CD1-CD2 4.41Å; I572-I636 HydrophobicContact CB-CD1 3.61Å; I572-I636 HydrophobicContact CD1-CD1 4.16Å; I572-I636 HydrophobicContact CG2-CD1 3.16Å; I572-L738 HydrophobicContact CG2-CD1 4.4Å; I572-F740 HydrophobicContact CD1-CE2 3.8Å; I572-F740 HydrophobicContact CD1-CZ 3.47Å; I572-F740 VanDerWaalsContact CD1-CZ 3.47Å
573	R	86.7	Confident	87.8	Confident	45 Å²	45	21.4 Å²	21.4	17%	0.17	11%	0.11	C	C	.	.	H	α-helix	trans	-55.1	-50.5	178.4	-168.1	-171.9	176	96.1	-0.9	111.4	K569 A570 Y571 E577 P637 D640 L641	K569-R573 WeakPolarHBondContact O-CB 3.36Å; K569-R573 PolarHBondContact O-N 3.24Å; K569-R573 VanDerWaalsContact O-N 3.13Å; A570-R573 WeakPolarHBondContact O-CB 3.36Å; A570-R573 PolarHBondContact O-N 3Å; Y571-R573 VanDerWaalsContact C-N 3.3Å; Y571-R573 PolarHBondContact O-N 3.3Å; R573-E577 IonicContact NE-OE1 3.05Å; R573-E577 PolarHBondContact O-N 3.43Å; R573-E577 VanDerWaalsContact O-N 3.16Å; R573-P637 PolarHBondContact NH1-O 3.1Å; R573-D640 PolarHBondContact NH2-O 2.89Å; R573-L641 HydrophobicContact CB-CD1 4.5Å; R573-L641 HydrophobicContact CG-CD1 3.29Å
574	F	90.4	Very high	87.4	Confident	8 Å²	8	27.1 Å²	27.1	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-39.5	178.9	-67.8	-57.1	0	0	0	112.4	L532 L539 V555 G558 L559 A562 A570 Y571 I572 L576 E577 T578	L532-F574 HydrophobicContact CD2-CE2 3.6Å; L532-F574 HydrophobicContact CD2-CZ 4.17Å; L539-F574 HydrophobicContact CD1-CD1 4.36Å; L539-F574 HydrophobicContact CD1-CE1 3.52Å; L539-F574 HydrophobicContact CD1-CZ 4.39Å; V555-F574 HydrophobicContact CG1-CB 4.19Å; V555-F574 HydrophobicContact CG1-CD1 4.14Å; V555-F574 HydrophobicContact CG2-CD1 4.38Å; G558-F574 VanDerWaalsContact C-CD2 3.48Å; G558-F574 WeakPolarHBondContact O-CD2 3.1Å; L559-F574 HydrophobicContact CB-CB 4.22Å; L559-F574 HydrophobicContact CD1-CB 3.91Å; A562-F574 HydrophobicContact CB-CD2 4.03Å; A562-F574 HydrophobicContact CB-CE2 4.33Å; A570-F574 HydrophobicContact CB-CD2 4.39Å; A570-F574 HydrophobicContact CB-CE2 4.08Å; A570-F574 WeakPolarHBondContact O-CD2 3.48Å; A570-F574 PolarHBondContact O-N 3.27Å; Y571-F574 PolarHBondContact O-N 2.92Å; I572-F574 VanDerWaalsContact C-N 3.35Å; I572-F574 PolarHBondContact O-N 2.79Å; F574-L576 PolarHBondContact O-N 2.87Å; F574-E577 PolarHBondContact O-N 2.9Å; F574-T578 WeakPolarHBondContact O-CG2 3.17Å; F574-T578 PolarHBondContact O-N 2.83Å
575	S	88.7	Confident	87.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-46.7	175.8	-65.1	0	0	0	0	111.7	L559 Y571 I572 E577 T578 L579	L559-S575 WeakPolarHBondContact CD1-OG 3.14Å; Y571-S575 WeakPolarHBondContact O-CB 3.46Å; Y571-S575 PolarHBondContact O-N 2.83Å; Y571-S575 PolarHBondContact O-OG 3.36Å; I572-S575 PolarHBondContact O-N 3.05Å; S575-E577 VanDerWaalsContact C-N 3.31Å; S575-E577 PolarHBondContact O-N 3.04Å; S575-T578 PolarHBondContact O-N 2.96Å; S575-T578 PolarHBondContact O-OG1 3.4Å; S575-L579 VanDerWaalsContact O-CG 3.31Å; S575-L579 WeakPolarHBondContact O-CG 3.08Å; S575-L579 PolarHBondContact O-N 3.46Å; S575-L579 VanDerWaalsContact O-N 3.15Å
576	L	87.7	Confident	87.2	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-39.6	175.8	-69	175.3	0	0	0	112.2	I572 F574 L597 I636 M638 L641 G643 C644 I645 M676 L738	I572-L576 HydrophobicContact CG2-CD1 3.87Å; I572-L576 HydrophobicContact CG2-CG 4.03Å; I572-L576 WeakPolarHBondContact O-CG 3.32Å; I572-L576 PolarHBondContact O-N 2.93Å; F574-L576 PolarHBondContact O-N 2.87Å; L576-L597 HydrophobicContact CD2-CD2 4.08Å; L576-I636 HydrophobicContact CD1-CD1 4.4Å; L576-M638 HydrophobicContact CD1-SD 4.41Å; L576-L641 HydrophobicContact CB-CD2 3.87Å; L576-L641 HydrophobicContact CD1-CD2 3.93Å; L576-G643 CarbonylContact O-C 3.58Å; L576-G643 WeakPolarHBondContact O-CA 3.45Å; L576-C644 PolarHBondContact O-N 3.38Å; L576-I645 HydrophobicContact CD2-CD1 4.43Å; L576-M676 HydrophobicContact CD2-CE 4.29Å; L576-L738 HydrophobicContact CD1-CD1 4.48Å; L576-L738 HydrophobicContact CD2-CD1 4.31Å
577	E	88.1	Confident	87	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-45.1	174.7	-72.8	-177.2	-156.2	0	0	111.9	R543 V555 R573 F574 S575 L579 H580 M583 L641	R543-E577 IonicContact CZ-OE1 2.72Å; R543-E577 IonicContact NE-OE1 3.22Å; R543-E577 PolarHBondContact NE-OE1 2.94Å; R543-E577 VanDerWaalsContact NE-OE1 3.11Å; R543-E577 IonicContact NE-OE2 3.8Å; R543-E577 IonicContact NH2-OE1 2.96Å; R543-E577 PolarHBondContact NH2-OE1 2.77Å; R543-E577 IonicContact NH2-OE2 3.21Å; V555-E577 HydrophobicContact CG1-CB 4.22Å; V555-E577 HydrophobicContact CG2-CB 4.27Å; V555-E577 VanDerWaalsContact CG2-OE2 3.27Å; V555-E577 WeakPolarHBondContact CG2-OE2 3.49Å; R573-E577 IonicContact NE-OE1 3.05Å; R573-E577 PolarHBondContact O-N 3.43Å; R573-E577 VanDerWaalsContact O-N 3.16Å; F574-E577 PolarHBondContact O-N 2.9Å; S575-E577 VanDerWaalsContact C-N 3.31Å; S575-E577 PolarHBondContact O-N 3.04Å; E577-L579 PolarHBondContact O-N 3.36Å; E577-H580 VanDerWaalsContact O-CB 3.31Å; E577-H580 WeakPolarHBondContact O-CB 3.46Å; E577-H580 PolarHBondContact O-N 3Å; E577-H580 VanDerWaalsContact O-N 3.11Å; E577-M583 VanDerWaalsContact O-CG 3.25Å; E577-M583 WeakPolarHBondContact O-CG 3.02Å; E577-L641 HydrophobicContact CG-CD1 3.55Å; E577-L641 HydrophobicContact CG-CG 4Å; E577-L641 WeakPolarHBondContact OE1-CD1 3.19Å
578	T	88.5	Confident	87	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-32.7	179.3	58.4	0	0	0	0	113.5	V555 F574 S575 H580 F585 V593	V555-T578 HydrophobicContact CG1-CG2 3.33Å; F574-T578 WeakPolarHBondContact O-CG2 3.17Å; F574-T578 PolarHBondContact O-N 2.83Å; S575-T578 PolarHBondContact O-N 2.96Å; S575-T578 PolarHBondContact O-OG1 3.4Å; T578-H580 VanDerWaalsContact C-N 3.26Å; T578-H580 PolarHBondContact O-N 3.09Å; T578-F585 HydrophobicContact CG2-CE2 3.95Å; T578-F585 HydrophobicContact CG2-CZ 3.96Å; T578-F585 WeakPolarHBondContact O-CD2 3.23Å; T578-V593 WeakPolarHBondContact OG1-CG1 3.49Å
579	L	88	Confident	87.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.7	-178.5	-69	171.3	0	0	0	112.9	S575 E577 R590 Y594 L597 C644	S575-L579 VanDerWaalsContact O-CG 3.31Å; S575-L579 WeakPolarHBondContact O-CG 3.08Å; S575-L579 PolarHBondContact O-N 3.46Å; S575-L579 VanDerWaalsContact O-N 3.15Å; E577-L579 PolarHBondContact O-N 3.36Å; L579-R590 HydrophobicContact CD2-CB 4.32Å; L579-R590 VanDerWaalsContact CD2-O 3.23Å; L579-R590 WeakPolarHBondContact CD2-O 3.22Å; L579-R590 PolarHBondContact O-NH2 3.47Å; L579-Y594 HydrophobicContact CD1-CD2 3.94Å; L579-L597 HydrophobicContact CD1-CD2 3.78Å; L579-C644 HydrophobicContact CB-CB 3.55Å
580	H	87.1	Confident	87.2	Confident	30 Å²	30	37 Å²	37	14%	0.139	19%	0.189	C	C	.	.	S	Bend	trans	-65.2	129.1	179.1	-171.3	-60.4	0	0	0	110.7	E577 T578 F582 M583 M642 G643	E577-H580 VanDerWaalsContact O-CB 3.31Å; E577-H580 WeakPolarHBondContact O-CB 3.46Å; E577-H580 PolarHBondContact O-N 3Å; E577-H580 VanDerWaalsContact O-N 3.11Å; T578-H580 VanDerWaalsContact C-N 3.26Å; T578-H580 PolarHBondContact O-N 3.09Å; H580-F582 VanDerWaalsContact C-N 3.28Å; H580-F582 WeakPolarHBondContact CE1-CB 3.35Å; H580-F582 WeakPolarHBondContact ND1-CB 3.44Å; H580-F582 PolarHBondContact ND1-N 3Å; H580-F582 PolarHBondContact O-N 3.1Å; H580-F582 VanDerWaalsContact O-N 3.16Å; H580-M583 HydrophobicContact CB-CG 4.39Å; H580-M583 WeakPolarHBondContact O-CB 3.27Å; H580-M583 PolarHBondContact O-N 3.43Å; H580-M642 VanDerWaalsContact CB-O 3.28Å; H580-M642 WeakPolarHBondContact CB-O 3.31Å; H580-M642 VanDerWaalsContact CD2-C 3.47Å; H580-M642 PolarHBondContact CD2-O 2.8Å; H580-G643 PolarHBondContact CD2-O 3.45Å
581	P	84	Confident	87.3	Confident	53 Å²	53	42.5 Å²	42.5	34%	0.344	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-51.8	-41.5	-177.9	-28.9	34.2	0	0	0	114.5	M583 N584 L671	P581-M583 PolarHBondContact O-N 3.47Å; P581-N584 PolarHBondContact O-N 3.02Å; P581-N584 PolarHBondContact O-OD1 3.5Å; P581-N584 VanDerWaalsContact O-OD1 3.11Å; P581-L671 HydrophobicContact CG-CB 3.72Å; P581-L671 HydrophobicContact CG-CD1 4.16Å; P581-L671 HydrophobicContact CG-CD2 4.5Å; P581-L671 HydrophobicContact CG-CG 4.36Å
582	F	83.6	Confident	87.4	Confident	64 Å²	64	46.3 Å²	46.3	28%	0.281	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-50	-24.2	174.9	-169.6	-111.8	0	0	0	116	R546 C548 H580 N584	R546-F582 HydrophobicContact CB-CE1 4.29Å; R546-F582 HydrophobicContact CB-CZ 3.83Å; R546-F582 WeakPolarHBondContact O-CZ 3.44Å; C548-F582 HydrophobicContact CB-CD1 4.26Å; C548-F582 HydrophobicContact CB-CE1 4.01Å; C548-F582 HydrophobicContact CB-CZ 4.34Å; C548-F582 WeakPolarHBondContact CB-O 3.44Å; C548-F582 WeakPolarHBondContact SG-CE1 3.48Å; C548-F582 WeakPolarHBondContact SG-CE2 3.36Å; C548-F582 WeakPolarHBondContact SG-CZ 3.37Å; H580-F582 VanDerWaalsContact C-N 3.28Å; H580-F582 WeakPolarHBondContact CE1-CB 3.35Å; H580-F582 WeakPolarHBondContact ND1-CB 3.44Å; H580-F582 PolarHBondContact ND1-N 3Å; H580-F582 PolarHBondContact O-N 3.1Å; H580-F582 VanDerWaalsContact O-N 3.16Å; F582-N584 VanDerWaalsContact C-N 3.29Å
583	M	84	Confident	87.5	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-79.5	-12.1	-179.6	-63.6	-66.2	-81.7	0	0	113.4	M551 K552 V555 E577 H580 P581 F585	M551-M583 HydrophobicContact CB-CE 3.98Å; M551-M583 HydrophobicContact CB-SD 3.94Å; M551-M583 HydrophobicContact CE-SD 4.13Å; K552-M583 VanDerWaalsContact CA-CE 3.49Å; K552-M583 HydrophobicContact CB-CE 4.26Å; K552-M583 WeakPolarHBondContact CD-O 3.25Å; V555-M583 HydrophobicContact CB-CE 3.88Å; V555-M583 HydrophobicContact CG1-CE 4.37Å; V555-M583 HydrophobicContact CG2-CE 3.65Å; E577-M583 VanDerWaalsContact O-CG 3.25Å; E577-M583 WeakPolarHBondContact O-CG 3.02Å; H580-M583 HydrophobicContact CB-CG 4.39Å; H580-M583 WeakPolarHBondContact O-CB 3.27Å; H580-M583 PolarHBondContact O-N 3.43Å; P581-M583 PolarHBondContact O-N 3.47Å; M583-F585 VanDerWaalsContact C-N 3.3Å; M583-F585 HydrophobicContact CB-CD2 3.52Å; M583-F585 HydrophobicContact CB-CE2 3.58Å; M583-F585 HydrophobicContact CE-CE2 4.06Å; M583-F585 HydrophobicContact CG-CE2 4.33Å; M583-F585 PolarHBondContact O-N 3.46Å
584	N	85.5	Confident	87.6	Confident	120 Å²	120	45.1 Å²	45.1	64%	0.642	22%	0.217	S	C	*	.			trans	50.8	45.6	176.7	-59.5	-24	0	0	0	113	K552 P581 F582	K552-N584 PolarHBondContact NZ-O 3.31Å; P581-N584 PolarHBondContact O-N 3.02Å; P581-N584 PolarHBondContact O-OD1 3.5Å; P581-N584 VanDerWaalsContact O-OD1 3.11Å; F582-N584 VanDerWaalsContact C-N 3.29Å
585	F	86.4	Confident	87.6	Confident	23 Å²	23	47 Å²	47	10%	0.101	23%	0.231	C	C	.	.			trans	-75.1	152.9	167.7	-76.8	-83.9	0	0	0	110.8	K552 V556 T578 M583 E589 R590	K552-F585 HydrophobicContact CB-CZ 4.47Å; K552-F585 HydrophobicContact CD-CE1 4.28Å; K552-F585 HydrophobicContact CD-CZ 4.32Å; K552-F585 VanDerWaalsContact CE-CE1 3.45Å; K552-F585 HydrophobicContact CG-CD1 4.42Å; K552-F585 HydrophobicContact CG-CD2 4.41Å; K552-F585 HydrophobicContact CG-CE1 3.76Å; K552-F585 HydrophobicContact CG-CE2 3.77Å; K552-F585 HydrophobicContact CG-CZ 3.4Å; K552-F585 VanDerWaalsContact CG-CZ 3.4Å; V556-F585 HydrophobicContact CG2-CE1 3.49Å; V556-F585 VanDerWaalsContact CG2-CE1 3.49Å; V556-F585 HydrophobicContact CG2-CZ 3.63Å; T578-F585 HydrophobicContact CG2-CE2 3.95Å; T578-F585 HydrophobicContact CG2-CZ 3.96Å; T578-F585 WeakPolarHBondContact O-CD2 3.23Å; M583-F585 VanDerWaalsContact C-N 3.3Å; M583-F585 HydrophobicContact CB-CD2 3.52Å; M583-F585 HydrophobicContact CB-CE2 3.58Å; M583-F585 HydrophobicContact CE-CE2 4.06Å; M583-F585 HydrophobicContact CG-CE2 4.33Å; M583-F585 PolarHBondContact O-N 3.46Å; F585-E589 HydrophobicContact CB-CB 4.43Å; F585-E589 HydrophobicContact CD1-CB 4.39Å; F585-R590 HydrophobicContact CB-CG 3.76Å
586	S	88.5	Confident	87.6	Confident	57 Å²	57	47 Å²	47	40%	0.399	23%	0.231	S	C	.	.			trans	-64.2	150.2	173	61.8	0	0	0	0	110.5	E588 E589 R590	S586-E588 PolarHBondContact O-N 2.81Å; S586-E589 PolarHBondContact N-OE2 2.99Å; S586-E589 VanDerWaalsContact N-OE2 3.16Å; S586-E589 PolarHBondContact O-N 2.74Å; S586-E589 VanDerWaalsContact O-N 3.12Å; S586-E589 WeakPolarHBondContact OG-CB 3.15Å; S586-E589 VanDerWaalsContact OG-CD 3.23Å; S586-E589 WeakPolarHBondContact OG-CG 3.47Å; S586-E589 PolarHBondContact OG-N 3.35Å; S586-E589 PolarHBondContact OG-OE2 2.82Å; S586-R590 WeakPolarHBondContact O-CG 3.19Å; S586-R590 PolarHBondContact O-N 3.02Å
587	D	85.3	Confident	87.7	Confident	101 Å²	101	46.9 Å²	46.9	54%	0.54	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-31.5	-179.1	-69.2	-33.9	0	0	0	112.4	R590 R591	D587-R590 PolarHBondContact O-N 3.01Å; D587-R591 WeakPolarHBondContact O-CG 3.43Å; D587-R591 PolarHBondContact O-N 3.12Å
588	E	87.7	Confident	87.5	Confident	130 Å²	130	49.3 Å²	49.3	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-65.2	-47.6	174.6	-171.4	56.8	-151.7	0	0	111.9	S586 R590 R591 R592	S586-E588 PolarHBondContact O-N 2.81Å; E588-R590 VanDerWaalsContact C-N 3.29Å; E588-R590 PolarHBondContact O-N 2.98Å; E588-R591 PolarHBondContact O-N 3Å; E588-R592 WeakPolarHBondContact O-CB 3.38Å; E588-R592 PolarHBondContact O-N 3.36Å
589	E	87.9	Confident	87.4	Confident	80 Å²	80	52.6 Å²	52.6	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-38.4	174.9	-72.9	168.5	141.9	0	0	111.6	F585 S586 R592 V593	F585-E589 HydrophobicContact CB-CB 4.43Å; F585-E589 HydrophobicContact CD1-CB 4.39Å; S586-E589 PolarHBondContact N-OE2 2.99Å; S586-E589 VanDerWaalsContact N-OE2 3.16Å; S586-E589 PolarHBondContact O-N 2.74Å; S586-E589 VanDerWaalsContact O-N 3.12Å; S586-E589 WeakPolarHBondContact OG-CB 3.15Å; S586-E589 VanDerWaalsContact OG-CD 3.23Å; S586-E589 WeakPolarHBondContact OG-CG 3.47Å; S586-E589 PolarHBondContact OG-N 3.35Å; S586-E589 PolarHBondContact OG-OE2 2.82Å; E589-R592 PolarHBondContact O-N 3.01Å; E589-V593 WeakPolarHBondContact O-CG2 3.47Å; E589-V593 PolarHBondContact O-N 3.44Å
590	R	89.3	Confident	87.2	Confident	41 Å²	41	52.6 Å²	52.6	16%	0.155	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-46	177.8	-67.9	177.5	76.5	-169.6	1.9	111.5	L579 F585 S586 D587 E588 V593 Y594 L671	L579-R590 HydrophobicContact CD2-CB 4.32Å; L579-R590 VanDerWaalsContact CD2-O 3.23Å; L579-R590 WeakPolarHBondContact CD2-O 3.22Å; L579-R590 PolarHBondContact O-NH2 3.47Å; F585-R590 HydrophobicContact CB-CG 3.76Å; S586-R590 WeakPolarHBondContact O-CG 3.19Å; S586-R590 PolarHBondContact O-N 3.02Å; D587-R590 PolarHBondContact O-N 3.01Å; E588-R590 VanDerWaalsContact C-N 3.29Å; E588-R590 PolarHBondContact O-N 2.98Å; R590-V593 PolarHBondContact O-N 3.19Å; R590-Y594 VanDerWaalsContact O-CB 3.31Å; R590-Y594 WeakPolarHBondContact O-CB 3.2Å; R590-Y594 PolarHBondContact O-N 2.96Å; R590-L671 PolarHBondContact NH2-O 3.41Å
591	R	89.4	Confident	86.8	Confident	129 Å²	129	52.5 Å²	52.5	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-41.6	175.4	-72.6	-177.2	-164.6	132.6	1.9	111.9	D587 E588 Y594 S595 P673	D587-R591 WeakPolarHBondContact O-CG 3.43Å; D587-R591 PolarHBondContact O-N 3.12Å; E588-R591 PolarHBondContact O-N 3Å; R591-Y594 PolarHBondContact O-N 2.98Å; R591-S595 WeakPolarHBondContact O-CB 3.29Å; R591-S595 PolarHBondContact O-N 3.21Å; R591-P673 HydrophobicContact CG-CG 4.48Å
592	R	91.4	Very high	86.7	Confident	80 Å²	80	53.6 Å²	53.6	30%	0.302	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-50.2	175.8	-173.5	-169.4	70.6	86.2	-1.7	111.9	E588 E589 Y594 S595 N596 E609	E588-R592 WeakPolarHBondContact O-CB 3.38Å; E588-R592 PolarHBondContact O-N 3.36Å; E589-R592 PolarHBondContact O-N 3.01Å; R592-Y594 VanDerWaalsContact C-N 3.32Å; R592-Y594 PolarHBondContact O-N 3.11Å; R592-S595 PolarHBondContact O-N 2.69Å; R592-N596 PolarHBondContact O-N 3.24Å; R592-E609 IonicContact CZ-OE2 3.6Å; R592-E609 IonicContact NH1-OE1 2.64Å; R592-E609 IonicContact NH1-OE2 3.11Å; R592-E609 PolarHBondContact NH1-OE2 3.21Å; R592-E609 IonicContact NH2-OE2 3.71Å; R592-E609 PolarHBondContact NH2-OE2 3.03Å
593	V	89.5	Confident	86.5	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-36.2	179.3	179.4	0	0	0	0	111.1	L559 T578 E589 R590 N596 L597	L559-V593 HydrophobicContact CD2-CG1 4.5Å; L559-V593 HydrophobicContact CD2-CG2 4.11Å; T578-V593 WeakPolarHBondContact OG1-CG1 3.49Å; E589-V593 WeakPolarHBondContact O-CG2 3.47Å; E589-V593 PolarHBondContact O-N 3.44Å; R590-V593 PolarHBondContact O-N 3.19Å; V593-N596 PolarHBondContact O-N 3.34Å; V593-L597 VanDerWaalsContact O-CB 3.31Å; V593-L597 WeakPolarHBondContact O-CB 3.15Å; V593-L597 PolarHBondContact O-N 3.46Å
594	Y	89.6	Confident	86.5	Confident	15 Å²	15	55.2 Å²	55.2	6%	0.059	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-45.6	173.7	-173	-94.9	0	0	0	112.2	L579 R590 R591 R592 N596 L597 S598 A672 P673 E674 K675 M676	L579-Y594 HydrophobicContact CD1-CD2 3.94Å; R590-Y594 VanDerWaalsContact O-CB 3.31Å; R590-Y594 WeakPolarHBondContact O-CB 3.2Å; R590-Y594 PolarHBondContact O-N 2.96Å; R591-Y594 PolarHBondContact O-N 2.98Å; R592-Y594 VanDerWaalsContact C-N 3.32Å; R592-Y594 PolarHBondContact O-N 3.11Å; Y594-N596 PolarHBondContact O-N 3.15Å; Y594-L597 WeakPolarHBondContact O-CB 3.35Å; Y594-L597 PolarHBondContact O-N 2.9Å; Y594-S598 WeakPolarHBondContact O-CB 3.49Å; Y594-S598 PolarHBondContact O-N 2.72Å; Y594-A672 HydrophobicContact CD2-CB 4.11Å; Y594-A672 HydrophobicContact CE2-CB 4.1Å; Y594-P673 HydrophobicContact CG-CG 4.4Å; Y594-E674 HydrophobicContact CD1-CB 3.84Å; Y594-E674 HydrophobicContact CD1-CG 4.28Å; Y594-E674 WeakPolarHBondContact CD1-OE2 3.33Å; Y594-E674 HydrophobicContact CE1-CB 3.42Å; Y594-E674 VanDerWaalsContact CE1-CB 3.42Å; Y594-E674 HydrophobicContact CE1-CG 4.25Å; Y594-E674 VanDerWaalsContact CE1-OE2 3.26Å; Y594-E674 WeakPolarHBondContact CE1-OE2 3.07Å; Y594-K675 VanDerWaalsContact OH-C 3.22Å; Y594-K675 PolarHBondContact OH-O 2.98Å; Y594-M676 HydrophobicContact CD2-CE 4.49Å; Y594-M676 HydrophobicContact CE2-CE 3.82Å; Y594-M676 WeakPolarHBondContact OH-CA 3.32Å
595	S	89	Confident	86.4	Confident	47 Å²	47	52.8 Å²	52.8	33%	0.329	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-47.1	175.1	177.4	0	0	0	0	111.1	R591 R592 L597 S598 R599	R591-S595 WeakPolarHBondContact O-CB 3.29Å; R591-S595 PolarHBondContact O-N 3.21Å; R592-S595 PolarHBondContact O-N 2.69Å; S595-L597 PolarHBondContact O-N 2.96Å; S595-S598 PolarHBondContact O-N 3.05Å; S595-R599 VanDerWaalsContact O-CG 3.32Å; S595-R599 WeakPolarHBondContact O-CG 3.49Å; S595-R599 PolarHBondContact O-N 3.03Å
596	N	90.2	Very high	86.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-41.8	175.1	-90.2	-5.8	0	0	0	112.9	Y571 R592 V593 Y594 R599 V600 E607 E609	Y571-N596 WeakPolarHBondContact OH-CB 3.36Å; Y571-N596 PolarHBondContact OH-ND2 3.37Å; R592-N596 PolarHBondContact O-N 3.24Å; V593-N596 PolarHBondContact O-N 3.34Å; Y594-N596 PolarHBondContact O-N 3.15Å; N596-R599 WeakPolarHBondContact O-CB 3.32Å; N596-R599 PolarHBondContact O-N 2.66Å; N596-V600 WeakPolarHBondContact O-CG2 3.33Å; N596-V600 PolarHBondContact O-N 3.01Å; N596-E607 PolarHBondContact ND2-O 2.69Å; N596-E607 WeakPolarHBondContact OD1-CB 2.92Å; N596-E607 PolarHBondContact OD1-N 3.12Å; N596-E609 PolarHBondContact ND2-OE1 3.16Å
597	L	88.1	Confident	86.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-47.8	174.3	177.3	61.7	0	0	0	110.7	I572 L576 L579 V593 Y594 S595 R599 V600 L601 M676	I572-L597 HydrophobicContact CB-CD1 4.4Å; I572-L597 HydrophobicContact CG1-CD1 4.14Å; I572-L597 HydrophobicContact CG2-CD1 3.91Å; L576-L597 HydrophobicContact CD2-CD2 4.08Å; L579-L597 HydrophobicContact CD1-CD2 3.78Å; V593-L597 VanDerWaalsContact O-CB 3.31Å; V593-L597 WeakPolarHBondContact O-CB 3.15Å; V593-L597 PolarHBondContact O-N 3.46Å; Y594-L597 WeakPolarHBondContact O-CB 3.35Å; Y594-L597 PolarHBondContact O-N 2.9Å; S595-L597 PolarHBondContact O-N 2.96Å; L597-R599 VanDerWaalsContact C-N 3.25Å; L597-R599 PolarHBondContact O-N 3.5Å; L597-V600 PolarHBondContact O-N 3.29Å; L597-L601 HydrophobicContact CD1-CD1 4.17Å; L597-L601 HydrophobicContact CD1-CG 4.15Å; L597-L601 HydrophobicContact CG-CD1 3.98Å; L597-L601 HydrophobicContact CG-CG 4.37Å; L597-L601 WeakPolarHBondContact O-CB 3.47Å; L597-L601 WeakPolarHBondContact O-CG 2.88Å; L597-L601 PolarHBondContact O-N 3.36Å; L597-M676 HydrophobicContact CD2-CE 3.76Å
598	S	85.2	Confident	86.5	Confident	50 Å²	50	51.7 Å²	51.7	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-36.8	176.6	-173.5	0	0	0	0	111.9	Y594 S595 L601 T602	Y594-S598 WeakPolarHBondContact O-CB 3.49Å; Y594-S598 PolarHBondContact O-N 2.72Å; S595-S598 PolarHBondContact O-N 3.05Å; S598-L601 PolarHBondContact O-N 3.33Å; S598-T602 WeakPolarHBondContact O-CB 3.3Å; S598-T602 WeakPolarHBondContact O-CG2 3.47Å; S598-T602 PolarHBondContact O-N 3.4Å; S598-T602 PolarHBondContact O-OG1 3.12Å
599	R	85.4	Confident	86.3	Confident	75 Å²	75	45.8 Å²	45.8	28%	0.283	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-50.5	175.2	-74.7	177.8	-172.9	-173.3	8.2	111.9	S595 N596 L597 L601 T602 A603 T604 E607	S595-R599 VanDerWaalsContact O-CG 3.32Å; S595-R599 WeakPolarHBondContact O-CG 3.49Å; S595-R599 PolarHBondContact O-N 3.03Å; N596-R599 WeakPolarHBondContact O-CB 3.32Å; N596-R599 PolarHBondContact O-N 2.66Å; L597-R599 VanDerWaalsContact C-N 3.25Å; L597-R599 PolarHBondContact O-N 3.5Å; R599-L601 VanDerWaalsContact C-N 3.29Å; R599-L601 PolarHBondContact O-N 3.42Å; R599-T602 WeakPolarHBondContact CA-OG1 3.36Å; R599-T602 CarbonylContact O-C 3.48Å; R599-T602 PolarHBondContact O-N 2.92Å; R599-T602 VanDerWaalsContact O-N 3.08Å; R599-T602 PolarHBondContact O-OG1 3.42Å; R599-A603 PolarHBondContact O-N 3.24Å; R599-T604 CarbonylContact C-O 3.57Å; R599-T604 VanDerWaalsContact C-O 3.3Å; R599-T604 WeakPolarHBondContact CA-OG1 3.5Å; R599-T604 WeakPolarHBondContact CB-OG1 3.33Å; R599-T604 WeakPolarHBondContact CG-OG1 3.04Å; R599-T604 PolarHBondContact O-N 3.01Å; R599-T604 VanDerWaalsContact O-O 3.09Å; R599-T604 PolarHBondContact O-OG1 2.93Å; R599-E607 IonicContact CZ-OE1 3.93Å; R599-E607 IonicContact NH1-OE1 3.19Å; R599-E607 PolarHBondContact NH1-OE1 3.39Å; R599-E607 IonicContact NH2-OE1 3.15Å; R599-E607 PolarHBondContact NH2-OE1 3.14Å
600	V	84.4	Confident	85.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-43.5	176.1	171.5	0	0	0	0	111	L568 Y571 I572 N596 L597 T602 A603 P606 W624 L628 F740	L568-V600 HydrophobicContact CD1-CG1 3.48Å; L568-V600 VanDerWaalsContact CD1-CG1 3.48Å; Y571-V600 HydrophobicContact CD1-CG2 4Å; Y571-V600 HydrophobicContact CE1-CG2 3.86Å; I572-V600 HydrophobicContact CG1-CG1 4.36Å; N596-V600 WeakPolarHBondContact O-CG2 3.33Å; N596-V600 PolarHBondContact O-N 3.01Å; L597-V600 PolarHBondContact O-N 3.29Å; V600-T602 VanDerWaalsContact C-N 3.3Å; V600-T602 PolarHBondContact O-N 3.35Å; V600-A603 PolarHBondContact O-N 2.91Å; V600-A603 VanDerWaalsContact O-N 3.13Å; V600-P606 HydrophobicContact CG2-CB 3.88Å; V600-P606 HydrophobicContact CG2-CG 3.91Å; V600-W624 HydrophobicContact CG1-CH2 4.41Å; V600-W624 HydrophobicContact CG1-CZ3 4.01Å; V600-W624 HydrophobicContact CG2-CH2 4.07Å; V600-W624 HydrophobicContact CG2-CZ3 3.9Å; V600-L628 HydrophobicContact CG1-CD2 4.48Å; V600-F740 HydrophobicContact CG1-CE1 4.21Å; V600-F740 HydrophobicContact CG1-CZ 4.37Å; V600-F740 WeakPolarHBondContact O-CE1 3.32Å
601	L	78.8	Confident	85.4	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-30.4	177.8	-68.8	176.7	0	0	0	113.3	I572 L597 S598 R599 A603 L738	I572-L601 HydrophobicContact CD1-CD2 4.41Å; L597-L601 HydrophobicContact CD1-CD1 4.17Å; L597-L601 HydrophobicContact CD1-CG 4.15Å; L597-L601 HydrophobicContact CG-CD1 3.98Å; L597-L601 HydrophobicContact CG-CG 4.37Å; L597-L601 WeakPolarHBondContact O-CB 3.47Å; L597-L601 WeakPolarHBondContact O-CG 2.88Å; L597-L601 PolarHBondContact O-N 3.36Å; S598-L601 PolarHBondContact O-N 3.33Å; R599-L601 VanDerWaalsContact C-N 3.29Å; R599-L601 PolarHBondContact O-N 3.42Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-L738 HydrophobicContact CD1-CD1 4.39Å; L601-L738 HydrophobicContact CD2-CB 3.71Å; L601-L738 HydrophobicContact CD2-CD1 4.35Å
602	T	80.8	Confident	85	Confident	77 Å²	77	44.7 Å²	44.7	47%	0.472	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.4	175.6	52.5	0	0	0	0	113.5	S598 R599 V600 T604	S598-T602 WeakPolarHBondContact O-CB 3.3Å; S598-T602 WeakPolarHBondContact O-CG2 3.47Å; S598-T602 PolarHBondContact O-N 3.4Å; S598-T602 PolarHBondContact O-OG1 3.12Å; R599-T602 WeakPolarHBondContact CA-OG1 3.36Å; R599-T602 CarbonylContact O-C 3.48Å; R599-T602 PolarHBondContact O-N 2.92Å; R599-T602 VanDerWaalsContact O-N 3.08Å; R599-T602 PolarHBondContact O-OG1 3.42Å; V600-T602 VanDerWaalsContact C-N 3.3Å; V600-T602 PolarHBondContact O-N 3.35Å; T602-T604 PolarHBondContact O-N 2.85Å; T602-T604 PolarHBondContact OG1-OG1 3.02Å; T602-T604 VanDerWaalsContact OG1-OG1 3.09Å
603	A	79.5	Confident	84.6	Confident	36 Å²	36	43.3 Å²	43.3	30%	0.298	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	29.3	-172.8	0	0	0	0	0	114.2	R599 V600 L601 V741	R599-A603 PolarHBondContact O-N 3.24Å; V600-A603 PolarHBondContact O-N 2.91Å; V600-A603 VanDerWaalsContact O-N 3.13Å; L601-A603 VanDerWaalsContact C-N 3.3Å; A603-V741 HydrophobicContact CB-CB 4.29Å; A603-V741 HydrophobicContact CB-CG2 3.61Å
604	T	84.2	Confident	84.3	Confident	65 Å²	65	48.9 Å²	48.9	40%	0.399	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-97.8	151.7	169.9	58.4	0	0	0	0	110.2	R599 T602	R599-T604 CarbonylContact C-O 3.57Å; R599-T604 VanDerWaalsContact C-O 3.3Å; R599-T604 WeakPolarHBondContact CA-OG1 3.5Å; R599-T604 WeakPolarHBondContact CB-OG1 3.33Å; R599-T604 WeakPolarHBondContact CG-OG1 3.04Å; R599-T604 PolarHBondContact O-N 3.01Å; R599-T604 VanDerWaalsContact O-O 3.09Å; R599-T604 PolarHBondContact O-OG1 2.93Å; T602-T604 PolarHBondContact O-N 2.85Å; T602-T604 PolarHBondContact OG1-OG1 3.02Å; T602-T604 VanDerWaalsContact OG1-OG1 3.09Å
605	L	84.8	Confident	84	Confident	69 Å²	69	52.1 Å²	52.1	36%	0.361	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-65.9	129.2	-174.7	-69.3	168.8	0	0	0	110.9	W624 K625 L628	L605-W624 HydrophobicContact CD2-CB 4.06Å; L605-K625 HydrophobicContact CD1-CG 4.2Å; L605-K625 HydrophobicContact CD2-CG 3.76Å; L605-L628 HydrophobicContact CD2-CD1 4.14Å
606	P	86.8	Confident	83.8	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.026	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.7	148.7	173.5	23	-28.9	0	0	0	111.5	F563 V600 W624	F563-P606 HydrophobicContact CD2-CB 4.41Å; F563-P606 HydrophobicContact CD2-CG 4.19Å; F563-P606 HydrophobicContact CE2-CB 4.04Å; F563-P606 HydrophobicContact CE2-CG 3.79Å; V600-P606 HydrophobicContact CG2-CB 3.88Å; V600-P606 HydrophobicContact CG2-CG 3.91Å; P606-W624 HydrophobicContact CG-CD2 3.84Å; P606-W624 HydrophobicContact CG-CE3 4.08Å; P606-W624 HydrophobicContact CG-CG 4.25Å; P606-W624 HydrophobicContact CG-CH2 4.47Å; P606-W624 HydrophobicContact CG-CZ2 4.26Å; P606-W624 HydrophobicContact CG-CZ3 4.38Å
607	E	87.7	Confident	83.6	Confident	85 Å²	85	51.7 Å²	51.7	40%	0.397	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-68.1	145	168.6	-101.5	158.5	-144	0	0	110.8	N596 R599 E609	N596-E607 PolarHBondContact ND2-O 2.69Å; N596-E607 WeakPolarHBondContact OD1-CB 2.92Å; N596-E607 PolarHBondContact OD1-N 3.12Å; R599-E607 IonicContact CZ-OE1 3.93Å; R599-E607 IonicContact NH1-OE1 3.19Å; R599-E607 PolarHBondContact NH1-OE1 3.39Å; R599-E607 IonicContact NH2-OE1 3.15Å; R599-E607 PolarHBondContact NH2-OE1 3.14Å; E607-E609 PolarHBondContact O-N 3.04Å
608	P	86.4	Confident	83.5	Confident	68 Å²	68	56 Å²	56	44%	0.442	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63	136.4	-177.9	26.4	-34	0	0	0	112.4	F563 V617	F563-P608 HydrophobicContact CE1-CB 4.44Å; F563-P608 HydrophobicContact CZ-CB 4.17Å; P608-V617 HydrophobicContact CB-CG1 3.75Å; P608-V617 HydrophobicContact CB-CG2 4.08Å; P608-V617 HydrophobicContact CG-CG1 4.47Å
609	E	84.9	Confident	83.6	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.033	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70.6	148.3	174.9	-65.3	-62.2	155.8	0	0	112.1	K560 F563 Y571 R592 N596 E607 L612	K560-E609 HydrophobicContact CG-CB 4.09Å; F563-E609 HydrophobicContact CB-CG 3.83Å; F563-E609 HydrophobicContact CD2-CG 4.21Å; F563-E609 HydrophobicContact CG-CG 3.94Å; Y571-E609 HydrophobicContact CE2-CG 4.46Å; Y571-E609 PolarHBondContact OH-OE1 3.38Å; R592-E609 IonicContact CZ-OE2 3.6Å; R592-E609 IonicContact NH1-OE1 2.64Å; R592-E609 IonicContact NH1-OE2 3.11Å; R592-E609 PolarHBondContact NH1-OE2 3.21Å; R592-E609 IonicContact NH2-OE2 3.71Å; R592-E609 PolarHBondContact NH2-OE2 3.03Å; N596-E609 PolarHBondContact ND2-OE1 3.16Å; E607-E609 PolarHBondContact O-N 3.04Å; E609-L612 HydrophobicContact CB-CD1 4Å
610	A	79.2	Confident	83.6	Confident	57 Å²	57	56.7 Å²	56.7	47%	0.471	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	144.9	-177.3	0	0	0	0	0	113.5	K560 L612	K560-A610 WeakPolarHBondContact CE-O 3.19Å; K560-A610 PolarHBondContact NZ-O 3.42Å; A610-L612 VanDerWaalsContact C-N 3.34Å
611	N	77.6	Confident	83.8	Confident	143 Å²	143	59 Å²	59	77%	0.765	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	20.4	179.1	-49.9	-21.1	0	0	0	115.6
612	L	81.9	Confident	84.1	Confident	26 Å²	26	60.8 Å²	60.8	14%	0.136	37%	0.365	C	S	.	.			trans	-87.3	145.1	165.5	-66.1	174.7	0	0	0	110	F523 F563 E609 A610 V617	F523-L612 HydrophobicContact CE2-CD2 4.05Å; F523-L612 HydrophobicContact CZ-CD2 3.97Å; F563-L612 HydrophobicContact CD1-CD1 3.45Å; F563-L612 VanDerWaalsContact CD1-CD1 3.45Å; F563-L612 HydrophobicContact CE1-CD1 3.94Å; F563-L612 HydrophobicContact CG-CD1 4.43Å; E609-L612 HydrophobicContact CB-CD1 4Å; A610-L612 VanDerWaalsContact C-N 3.34Å; L612-V617 HydrophobicContact CB-CG2 3.71Å; L612-V617 HydrophobicContact CD1-CG2 4.47Å
613	S	82.1	Confident	84.5	Confident	52 Å²	52	60 Å²	60	36%	0.364	36%	0.357	S	S	.	.			trans	-69.5	149.7	174.2	62.3	0	0	0	0	110.5	S615 T616 V617	S613-S615 PolarHBondContact O-N 3.01Å; S613-S615 PolarHBondContact OG-OG 3.4Å; S613-T616 PolarHBondContact O-N 3.29Å; S613-T616 VanDerWaalsContact O-N 3.09Å; S613-T616 WeakPolarHBondContact OG-CB 3.44Å; S613-T616 PolarHBondContact OG-N 2.48Å; S613-T616 PolarHBondContact OG-OG1 3.19Å; S613-V617 WeakPolarHBondContact O-CG2 3.3Å; S613-V617 PolarHBondContact O-N 3.13Å
614	T	83.2	Confident	84.9	Confident	123 Å²	123	58.2 Å²	58.2	76%	0.755	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-36.4	178.7	48.9	0	0	0	0	112.3	V617 C618	T614-V617 PolarHBondContact O-N 3.04Å; T614-C618 PolarHBondContact O-N 3.07Å; T614-C618 PolarHBondContact O-SG 2.8Å
615	S	83.3	Confident	85	Confident	83 Å²	83	61.5 Å²	61.5	58%	0.58	35%	0.352	S	S	*	.	H	α-helix	trans	-65.4	-43.3	175.9	56.6	0	0	0	0	113.1	S613 K619	S613-S615 PolarHBondContact O-N 3.01Å; S613-S615 PolarHBondContact OG-OG 3.4Å; S615-K619 PolarHBondContact O-N 2.77Å
616	T	84.7	Confident	85.1	Confident	16 Å²	16	66 Å²	66	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-67.2	-39.9	176.4	-62.3	0	0	0	0	110.9	F528 A564 S613 K619 S620	F528-T616 HydrophobicContact CE2-CG2 3.75Å; F528-T616 HydrophobicContact CZ-CG2 3.74Å; A564-T616 HydrophobicContact CB-CG2 3.97Å; S613-T616 PolarHBondContact O-N 3.29Å; S613-T616 VanDerWaalsContact O-N 3.09Å; S613-T616 WeakPolarHBondContact OG-CB 3.44Å; S613-T616 PolarHBondContact OG-N 2.48Å; S613-T616 PolarHBondContact OG-OG1 3.19Å; T616-K619 PolarHBondContact O-N 3.22Å; T616-S620 WeakPolarHBondContact O-CB 3.49Å; T616-S620 PolarHBondContact O-N 2.84Å; T616-S620 PolarHBondContact O-OG 3.16Å; T616-S620 VanDerWaalsContact O-OG 3.13Å
617	V	86.2	Confident	84.9	Confident	22 Å²	22	68.8 Å²	68.8	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-49.2	176.9	172.8	0	0	0	0	111	P608 L612 S613 T614 K619 S620 L621	P608-V617 HydrophobicContact CB-CG1 3.75Å; P608-V617 HydrophobicContact CB-CG2 4.08Å; P608-V617 HydrophobicContact CG-CG1 4.47Å; L612-V617 HydrophobicContact CB-CG2 3.71Å; L612-V617 HydrophobicContact CD1-CG2 4.47Å; S613-V617 WeakPolarHBondContact O-CG2 3.3Å; S613-V617 PolarHBondContact O-N 3.13Å; T614-V617 PolarHBondContact O-N 3.04Å; V617-K619 VanDerWaalsContact C-N 3.34Å; V617-K619 PolarHBondContact O-N 3.42Å; V617-S620 WeakPolarHBondContact CA-OG 3.42Å; V617-S620 PolarHBondContact O-N 3.13Å; V617-S620 PolarHBondContact O-OG 3.48Å; V617-L621 HydrophobicContact CG1-CD1 3.85Å; V617-L621 HydrophobicContact CG1-CG 4.27Å; V617-L621 WeakPolarHBondContact O-CG 3.32Å; V617-L621 PolarHBondContact O-N 3.35Å
618	C	85.6	Confident	84.6	Confident	90 Å²	90	65.9 Å²	65.9	61%	0.608	37%	0.365	S	S	*	.	H	α-helix	trans	-58	-44.3	179.3	-71.1	0	0	0	0	112.8	T614 S622	T614-C618 PolarHBondContact O-N 3.07Å; T614-C618 PolarHBondContact O-SG 2.8Å; C618-S622 PolarHBondContact O-N 3.2Å
619	K	87.4	Confident	84.2	Confident	141 Å²	141	66.3 Å²	66.3	61%	0.613	37%	0.374	S	S	*	.	H	α-helix	trans	-65.2	-46.7	176.8	-174.5	-175.2	173.9	-171.4	0	111.6	S615 T616 V617 L621 S622 D623	S615-K619 PolarHBondContact O-N 2.77Å; T616-K619 PolarHBondContact O-N 3.22Å; V617-K619 VanDerWaalsContact C-N 3.34Å; V617-K619 PolarHBondContact O-N 3.42Å; K619-L621 VanDerWaalsContact C-N 3.29Å; K619-L621 PolarHBondContact O-N 2.82Å; K619-S622 PolarHBondContact O-N 3.45Å; K619-S622 PolarHBondContact O-OG 3.07Å; K619-D623 VanDerWaalsContact O-CG 3.28Å; K619-D623 PolarHBondContact O-N 3.42Å; K619-D623 VanDerWaalsContact O-N 3.11Å
620	S	85.7	Confident	83.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-60.3	-40.5	179.2	63.2	0	0	0	0	111.8	F563 T616 V617 S622 D623 W624	F563-S620 WeakPolarHBondContact CE1-OG 3.42Å; F563-S620 WeakPolarHBondContact O-CB 3.47Å; T616-S620 WeakPolarHBondContact O-CB 3.49Å; T616-S620 PolarHBondContact O-N 2.84Å; T616-S620 PolarHBondContact O-OG 3.16Å; T616-S620 VanDerWaalsContact O-OG 3.13Å; V617-S620 WeakPolarHBondContact CA-OG 3.42Å; V617-S620 PolarHBondContact O-N 3.13Å; V617-S620 PolarHBondContact O-OG 3.48Å; S620-S622 VanDerWaalsContact C-N 3.34Å; S620-S622 PolarHBondContact O-N 3.1Å; S620-D623 PolarHBondContact O-N 3.1Å; S620-D623 VanDerWaalsContact O-N 3.13Å; S620-W624 PolarHBondContact O-N 3.35Å
621	L	88.4	Confident	82.8	Confident	48 Å²	48	74 Å²	74	25%	0.251	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-32.6	179.1	-72.1	174.4	0	0	0	113.1	F563 V617 K619 K625	F563-L621 HydrophobicContact CZ-CD2 4.17Å; V617-L621 HydrophobicContact CG1-CD1 3.85Å; V617-L621 HydrophobicContact CG1-CG 4.27Å; V617-L621 WeakPolarHBondContact O-CG 3.32Å; V617-L621 PolarHBondContact O-N 3.35Å; K619-L621 VanDerWaalsContact C-N 3.29Å; K619-L621 PolarHBondContact O-N 2.82Å; L621-K625 WeakPolarHBondContact O-CG 3.46Å; L621-K625 PolarHBondContact O-N 3.49Å; L621-K625 VanDerWaalsContact O-N 3.14Å
622	S	86.9	Confident	82	Confident	65 Å²	65	69 Å²	69	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-40	170.9	51.8	0	0	0	0	111.9	C618 K619 S620 K625 Y626	C618-S622 PolarHBondContact O-N 3.2Å; K619-S622 PolarHBondContact O-N 3.45Å; K619-S622 PolarHBondContact O-OG 3.07Å; S620-S622 VanDerWaalsContact C-N 3.34Å; S620-S622 PolarHBondContact O-N 3.1Å; S622-K625 PolarHBondContact O-N 3.1Å; S622-Y626 PolarHBondContact O-N 3.48Å
623	D	87.7	Confident	81	Confident	59 Å²	59	74.6 Å²	74.6	32%	0.316	40%	0.397	S	S	.	.	H	α-helix	trans	-67.4	-38.7	179	-60.6	-16.7	0	0	0	110.6	A566 K619 S620 K625 Y626 Q627	A566-D623 HydrophobicContact CB-CB 3.66Å; K619-D623 VanDerWaalsContact O-CG 3.28Å; K619-D623 PolarHBondContact O-N 3.42Å; K619-D623 VanDerWaalsContact O-N 3.11Å; S620-D623 PolarHBondContact O-N 3.1Å; S620-D623 VanDerWaalsContact O-N 3.13Å; D623-K625 PolarHBondContact O-N 3.38Å; D623-Y626 PolarHBondContact O-N 3.31Å; D623-Q627 PolarHBondContact O-N 3.36Å
624	W	88.6	Confident	80.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-40.6	172	-84.2	105.9	0	0	0	112.8	F563 A566 L568 Y571 V600 L605 P606 S620 Y626 Q627 L628	F563-W624 HydrophobicContact CD2-CZ2 4.45Å; F563-W624 AromaticContact CD2-NE1 3.72Å; F563-W624 AromaticContact CE2-NE1 3.97Å; F563-W624 PolarHBondContact O-NE1 3.43Å; A566-W624 HydrophobicContact CB-CD2 4.06Å; A566-W624 HydrophobicContact CB-CG 3.9Å; L568-W624 HydrophobicContact CD1-CH2 4.36Å; L568-W624 HydrophobicContact CD1-CZ3 3.77Å; Y571-W624 AromaticContact CD1-CH2 3.9Å; Y571-W624 HydrophobicContact CD1-CH2 3.9Å; Y571-W624 HydrophobicContact CD1-CZ2 4.3Å; Y571-W624 HydrophobicContact CD2-CZ2 4.19Å; Y571-W624 AromaticContact CG-CH2 3.85Å; Y571-W624 HydrophobicContact CG-CH2 3.85Å; Y571-W624 AromaticContact CG-CZ2 3.95Å; Y571-W624 HydrophobicContact CG-CZ2 3.95Å; V600-W624 HydrophobicContact CG1-CH2 4.41Å; V600-W624 HydrophobicContact CG1-CZ3 4.01Å; V600-W624 HydrophobicContact CG2-CH2 4.07Å; V600-W624 HydrophobicContact CG2-CZ3 3.9Å; L605-W624 HydrophobicContact CD2-CB 4.06Å; P606-W624 HydrophobicContact CG-CD2 3.84Å; P606-W624 HydrophobicContact CG-CE3 4.08Å; P606-W624 HydrophobicContact CG-CG 4.25Å; P606-W624 HydrophobicContact CG-CH2 4.47Å; P606-W624 HydrophobicContact CG-CZ2 4.26Å; P606-W624 HydrophobicContact CG-CZ3 4.38Å; S620-W624 PolarHBondContact O-N 3.35Å; W624-Y626 VanDerWaalsContact C-N 3.26Å; W624-Y626 PolarHBondContact O-N 3.1Å; W624-Q627 PolarHBondContact O-N 3.14Å; W624-L628 HydrophobicContact CE3-CD1 4.14Å; W624-L628 HydrophobicContact CE3-CD2 4.14Å; W624-L628 HydrophobicContact CE3-CG 4.01Å; W624-L628 HydrophobicContact CZ3-CD2 4.25Å; W624-L628 VanDerWaalsContact O-CB 3.28Å; W624-L628 WeakPolarHBondContact O-CB 3.37Å; W624-L628 WeakPolarHBondContact O-CG 3.41Å; W624-L628 PolarHBondContact O-N 3.26Å
625	K	86.5	Confident	79.1	Confident	133 Å²	133	70.4 Å²	70.4	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-60	-39.3	176	-76	177.7	-178.6	-179.2	0	111.9	L605 L621 S622 D623 A629	L605-K625 HydrophobicContact CD1-CG 4.2Å; L605-K625 HydrophobicContact CD2-CG 3.76Å; L621-K625 WeakPolarHBondContact O-CG 3.46Å; L621-K625 PolarHBondContact O-N 3.49Å; L621-K625 VanDerWaalsContact O-N 3.14Å; S622-K625 PolarHBondContact O-N 3.1Å; D623-K625 PolarHBondContact O-N 3.38Å; K625-A629 VanDerWaalsContact O-CB 3.3Å; K625-A629 WeakPolarHBondContact O-CB 3.17Å; K625-A629 PolarHBondContact O-N 3.11Å
626	Y	85.8	Confident	78.3	Confident	165 Å²	165	66.9 Å²	66.9	65%	0.647	34%	0.341	S	S	*	.	H	α-helix	trans	-69.2	-50.4	177.5	-176.5	-95.4	0	0	0	111.3	S622 D623 W624 L628 A629 E630	S622-Y626 PolarHBondContact O-N 3.48Å; D623-Y626 PolarHBondContact O-N 3.31Å; W624-Y626 VanDerWaalsContact C-N 3.26Å; W624-Y626 PolarHBondContact O-N 3.1Å; Y626-L628 PolarHBondContact O-N 3.19Å; Y626-A629 PolarHBondContact O-N 3.08Å; Y626-E630 PolarHBondContact O-N 3.34Å; Y626-E630 VanDerWaalsContact O-N 3.1Å
627	Q	82.4	Confident	77.4	Confident	62 Å²	62	67.9 Å²	67.9	29%	0.29	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-38.6	179.8	-77.5	-70.6	-24.7	0	0	113.3	A566 D623 W624 E630	A566-Q627 HydrophobicContact CB-CG 4.37Å; D623-Q627 PolarHBondContact O-N 3.36Å; W624-Q627 PolarHBondContact O-N 3.14Å; Q627-E630 PolarHBondContact O-N 2.93Å
628	L	81.6	Confident	76.5	Confident	24 Å²	24	67.5 Å²	67.5	13%	0.126	35%	0.345	C	S	.	.	H	α-helix	trans	-75.7	-24.2	177.7	-66	174.4	0	0	0	113	L568 V600 L605 W624 Y626	L568-L628 HydrophobicContact CD1-CD2 4.21Å; V600-L628 HydrophobicContact CG1-CD2 4.48Å; L605-L628 HydrophobicContact CD2-CD1 4.14Å; W624-L628 HydrophobicContact CE3-CD1 4.14Å; W624-L628 HydrophobicContact CE3-CD2 4.14Å; W624-L628 HydrophobicContact CE3-CG 4.01Å; W624-L628 HydrophobicContact CZ3-CD2 4.25Å; W624-L628 VanDerWaalsContact O-CB 3.28Å; W624-L628 WeakPolarHBondContact O-CB 3.37Å; W624-L628 WeakPolarHBondContact O-CG 3.41Å; W624-L628 PolarHBondContact O-N 3.26Å; Y626-L628 PolarHBondContact O-N 3.19Å
629	A	78.6	Confident	75.3	Confident	76 Å²	76	66.1 Å²	66.1	63%	0.628	33%	0.332	S	S	*	.	H	α-helix	trans	-74.9	-29.3	172.1	0	0	0	0	0	111.8	K625 Y626 K631	K625-A629 VanDerWaalsContact O-CB 3.3Å; K625-A629 WeakPolarHBondContact O-CB 3.17Å; K625-A629 PolarHBondContact O-N 3.11Å; Y626-A629 PolarHBondContact O-N 3.08Å; A629-K631 PolarHBondContact O-N 3.44Å; A629-K631 VanDerWaalsContact O-N 3.17Å
630	E	73.4	Confident	74.2	Confident	99 Å²	99	63.8 Å²	63.8	46%	0.463	33%	0.326	S	S	.	.	S	Bend	trans	-72.6	102.4	174.4	-166.5	175.4	177.7	0	0	110.1	Y626 Q627 S632	Y626-E630 PolarHBondContact O-N 3.34Å; Y626-E630 VanDerWaalsContact O-N 3.1Å; Q627-E630 PolarHBondContact O-N 2.93Å; E630-S632 PolarHBondContact O-N 3.01Å
631	K	61.2	Low	73.6	Confident	128 Å²	128	64.6 Å²	64.6	56%	0.557	33%	0.33	S	S	*	.			trans	-71.7	78.1	179.1	-63.8	-178.3	-173.9	176.8	0	110.7	A629 Y742	A629-K631 PolarHBondContact O-N 3.44Å; A629-K631 VanDerWaalsContact O-N 3.17Å; K631-Y742 VanDerWaalsContact CE-O 3.26Å; K631-Y742 WeakPolarHBondContact CE-O 3.24Å; K631-Y742 PolarHBondContact NZ-O 3.22Å
632	S	61.7	Low	72.8	Confident	37 Å²	37	64.9 Å²	64.9	26%	0.259	33%	0.331	S	S	.	.			trans	-110.7	144.4	-178.9	65.8	0	0	0	0	112.2	E630	E630-S632 PolarHBondContact O-N 3.01Å
633	F	60.3	Low	72.2	Confident	143 Å²	143	62 Å²	62	63%	0.627	31%	0.312	S	S	*	.			trans	-84.2	116.2	173.8	-60.3	-67.2	0	0	0	109.7	F739	F633-F739 HydrophobicContact CD1-CD2 4.42Å; F633-F739 HydrophobicContact CD1-CE1 4.27Å; F633-F739 AromaticContact CD1-CE2 3.99Å; F633-F739 HydrophobicContact CD1-CE2 3.99Å; F633-F739 AromaticContact CD1-CZ 3.93Å; F633-F739 HydrophobicContact CD1-CZ 3.93Å; F633-F739 HydrophobicContact CE1-CD1 4.06Å; F633-F739 HydrophobicContact CE1-CD2 4.37Å; F633-F739 AromaticContact CE1-CE1 3.38Å; F633-F739 HydrophobicContact CE1-CE1 3.38Å; F633-F739 AromaticContact CE1-CE2 3.72Å; F633-F739 HydrophobicContact CE1-CE2 3.72Å; F633-F739 AromaticContact CE1-CZ 3.17Å; F633-F739 HydrophobicContact CE1-CZ 3.17Å; F633-F739 HydrophobicContact CZ-CE1 4.18Å; F633-F739 AromaticContact CZ-CZ 3.93Å; F633-F739 HydrophobicContact CZ-CZ 3.93Å
634	T	62.7	Low	71.7	Confident	21 Å²	21	59.2 Å²	59.2	13%	0.129	30%	0.297	C	S	.	.			trans	-98	111.1	176.4	-57.9	0	0	0	0	110.7	K569 I636	K569-T634 HydrophobicContact CB-CG2 3.61Å; K569-T634 HydrophobicContact CD-CG2 4.4Å; K569-T634 HydrophobicContact CG-CG2 3.76Å; T634-I636 HydrophobicContact CG2-CG1 4.3Å
635	L	63.4	Low	71.3	Confident	66 Å²	66	59.7 Å²	59.7	35%	0.346	30%	0.299	S	S	.	.			trans	-80.8	119.1	173.1	-169.5	74.4	0	0	0	110.3	K569 F735 F737	K569-L635 WeakPolarHBondContact CE-O 3.09Å; L635-F735 HydrophobicContact CD1-CB 3.87Å; L635-F735 HydrophobicContact CD1-CD1 3.36Å; L635-F735 HydrophobicContact CD1-CD2 4.47Å; L635-F735 HydrophobicContact CD1-CE1 3.97Å; L635-F735 HydrophobicContact CD1-CG 3.65Å; L635-F735 HydrophobicContact CD2-CD1 3.82Å; L635-F735 HydrophobicContact CD2-CE1 3.49Å; L635-F735 VanDerWaalsContact CD2-CE1 3.49Å; L635-F735 HydrophobicContact CD2-CZ 3.99Å; L635-F735 HydrophobicContact CG-CD1 3.45Å; L635-F735 VanDerWaalsContact CG-CD1 3.45Å; L635-F735 HydrophobicContact CG-CE1 3.62Å; L635-F735 HydrophobicContact CG-CG 4.24Å; L635-F737 HydrophobicContact CD1-CD2 4.48Å; L635-F737 HydrophobicContact CD1-CE1 3.77Å; L635-F737 HydrophobicContact CD1-CE2 3.6Å; L635-F737 HydrophobicContact CD1-CZ 3.23Å
636	I	66.3	Low	70.8	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.046	29%	0.287	C	S	.	.			trans	-105.4	111.4	176.2	-55.9	-179.2	0	0	0	109	I572 L576 T634 M638	I572-I636 HydrophobicContact CB-CD1 3.61Å; I572-I636 HydrophobicContact CD1-CD1 4.16Å; I572-I636 HydrophobicContact CG2-CD1 3.16Å; L576-I636 HydrophobicContact CD1-CD1 4.4Å; T634-I636 HydrophobicContact CG2-CG1 4.3Å; I636-M638 HydrophobicContact CG2-SD 4.33Å; I636-M638 PolarHBondContact O-N 3.4Å
637	P	65.7	Low	70.2	Confident	37 Å²	37	49.5 Å²	49.5	24%	0.24	27%	0.266	C	S	.	.			trans	-71.2	120.7	171.5	27.4	-30.5	0	0	0	109.7	R573 F735	R573-P637 PolarHBondContact NH1-O 3.1Å; P637-F735 HydrophobicContact CB-CE1 4.1Å
638	M	66	Low	69.9	Low	15 Å²	15	51.1 Å²	51.1	7%	0.074	28%	0.277	C	S	.	.			trans	-84.9	-15.5	180	-64.4	-62.4	-66.4	0	0	112.9	L576 I636 D640 L641 I645 L647 L734	L576-M638 HydrophobicContact CD1-SD 4.41Å; I636-M638 HydrophobicContact CG2-SD 4.33Å; I636-M638 PolarHBondContact O-N 3.4Å; M638-D640 VanDerWaalsContact C-N 3.33Å; M638-D640 PolarHBondContact O-N 3.06Å; M638-L641 HydrophobicContact CE-CD2 3.7Å; M638-L641 VanDerWaalsContact O-CB 3.3Å; M638-L641 WeakPolarHBondContact O-CB 3.04Å; M638-L641 PolarHBondContact O-N 3.38Å; M638-L641 HydrophobicContact SD-CD2 3.55Å; M638-L641 VanDerWaalsContact SD-CD2 3.55Å; M638-I645 HydrophobicContact CE-CB 4.09Å; M638-L647 HydrophobicContact CB-CD1 4.17Å; M638-L647 HydrophobicContact CE-CD1 4.48Å; M638-L647 HydrophobicContact CG-CD1 4.17Å; M638-L734 WeakPolarHBondContact CB-O 3.21Å
639	D	60.5	Low	69.6	Low	60 Å²	60	51.9 Å²	51.9	32%	0.321	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-44.5	-172	-36.2	-15.3	0	0	0	112.3	L641 K733	D639-L641 VanDerWaalsContact C-N 3.34Å; D639-K733 WeakPolarHBondContact OD1-CA 3.34Å; D639-K733 WeakPolarHBondContact OD2-CG 3.38Å
640	D	65	Low	69.5	Low	93 Å²	93	53.6 Å²	53.6	50%	0.497	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	15.7	179.5	-87.1	-15.2	0	0	0	112.3	R543 R573 M638	R543-D640 WeakPolarHBondContact CD-O 3.17Å; R543-D640 PolarHBondContact NE-O 3.21Å; R543-D640 PolarHBondContact NH1-O 3.49Å; R573-D640 PolarHBondContact NH2-O 2.89Å; M638-D640 VanDerWaalsContact C-N 3.33Å; M638-D640 PolarHBondContact O-N 3.06Å
641	L	72.2	Confident	69.7	Low	17 Å²	17	51.4 Å²	51.4	9%	0.089	27%	0.27	C	S	.	.			trans	-112.5	118.9	-172.1	-161	80.4	0	0	0	111.6	R573 L576 E577 M638 D639 G643	R573-L641 HydrophobicContact CB-CD1 4.5Å; R573-L641 HydrophobicContact CG-CD1 3.29Å; L576-L641 HydrophobicContact CB-CD2 3.87Å; L576-L641 HydrophobicContact CD1-CD2 3.93Å; E577-L641 HydrophobicContact CG-CD1 3.55Å; E577-L641 HydrophobicContact CG-CG 4Å; E577-L641 WeakPolarHBondContact OE1-CD1 3.19Å; M638-L641 HydrophobicContact CE-CD2 3.7Å; M638-L641 VanDerWaalsContact O-CB 3.3Å; M638-L641 WeakPolarHBondContact O-CB 3.04Å; M638-L641 PolarHBondContact O-N 3.38Å; M638-L641 HydrophobicContact SD-CD2 3.55Å; M638-L641 VanDerWaalsContact SD-CD2 3.55Å; D639-L641 VanDerWaalsContact C-N 3.34Å; L641-G643 PolarHBondContact O-N 3.17Å; L641-G643 VanDerWaalsContact O-N 3.08Å
642	M	72.3	Confident	70.7	Confident	54 Å²	54	48.6 Å²	48.6	27%	0.266	26%	0.261	S	S	.	.			trans	-83.3	66.7	162	-70.8	-64.9	-57.8	0	0	108.9	R543 M551 H580	R543-M642 HydrophobicContact CG-CG 4.37Å; M551-M642 HydrophobicContact CE-CB 4.32Å; M551-M642 HydrophobicContact CE-CG 4.42Å; H580-M642 VanDerWaalsContact CB-O 3.28Å; H580-M642 WeakPolarHBondContact CB-O 3.31Å; H580-M642 VanDerWaalsContact CD2-C 3.47Å; H580-M642 PolarHBondContact CD2-O 2.8Å
643	G	73.8	Confident	71.5	Confident	5 Å²	5	50.1 Å²	50.1	5%	0.052	27%	0.269	C	S	.	.			trans	-96.4	165.2	-173.7	0	0	0	0	0	114.3	L576 H580 L641 I645	L576-G643 CarbonylContact O-C 3.58Å; L576-G643 WeakPolarHBondContact O-CA 3.45Å; H580-G643 PolarHBondContact CD2-O 3.45Å; L641-G643 PolarHBondContact O-N 3.17Å; L641-G643 VanDerWaalsContact O-N 3.08Å; G643-I645 PolarHBondContact O-N 3.02Å
644	C	78	Confident	72.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-65.2	5	-180	66.8	0	0	0	0	116.2	L576 L579 L671 A672	L576-C644 PolarHBondContact O-N 3.38Å; L579-C644 HydrophobicContact CB-CB 3.55Å; C644-L671 HydrophobicContact CB-CB 4.44Å; C644-L671 WeakPolarHBondContact O-CB 3.43Å; C644-L671 PolarHBondContact O-N 3.33Å; C644-A672 HydrophobicContact CB-CB 4.36Å
645	I	79.1	Confident	73	Confident	9 Å²	9	56 Å²	56	5%	0.046	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107	178	-54.9	176.7	0	0	0	106.8	L576 M638 G643 L647 I668 L670 M676 V736	L576-I645 HydrophobicContact CD2-CD1 4.43Å; M638-I645 HydrophobicContact CE-CB 4.09Å; G643-I645 PolarHBondContact O-N 3.02Å; I645-L647 HydrophobicContact CG2-CD2 3.83Å; I645-L647 HydrophobicContact CG2-CG 4.08Å; I645-I668 HydrophobicContact CG2-CG2 3.57Å; I645-L670 HydrophobicContact CG1-CD1 4.22Å; I645-M676 HydrophobicContact CD1-SD 4.08Å; I645-V736 HydrophobicContact CD1-CG1 4.13Å; I645-V736 HydrophobicContact CG2-CG2 4.41Å
646	S	76.2	Confident	73.6	Confident	48 Å²	48	54.8 Å²	54.8	34%	0.336	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.1	172	-164.5	0	0	0	0	109	I668 M669	S646-I668 WeakPolarHBondContact O-CA 3.12Å; S646-M669 PolarHBondContact N-O 2.91Å; S646-M669 PolarHBondContact O-N 3.24Å
647	L	75	Confident	74.1	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.188	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117.6	-175.1	-62.8	169.9	0	0	0	109	M638 I645 I668 L734 V736	M638-L647 HydrophobicContact CB-CD1 4.17Å; M638-L647 HydrophobicContact CE-CD1 4.48Å; M638-L647 HydrophobicContact CG-CD1 4.17Å; I645-L647 HydrophobicContact CG2-CD2 3.83Å; I645-L647 HydrophobicContact CG2-CG 4.08Å; L647-I668 HydrophobicContact CD2-CB 4.11Å; L647-I668 HydrophobicContact CD2-CD1 3.71Å; L647-I668 HydrophobicContact CD2-CG1 3.57Å; L647-I668 HydrophobicContact CD2-CG2 3.8Å; L647-L734 HydrophobicContact CB-CD1 4.37Å; L647-L734 HydrophobicContact CD1-CB 4Å; L647-V736 HydrophobicContact CD1-CG2 3.82Å; L647-V736 HydrophobicContact CD2-CG2 3.92Å; L647-V736 HydrophobicContact CG-CG2 4.48Å
648	D	74.4	Confident	74.5	Confident	97 Å²	97	64.3 Å²	64.3	52%	0.519	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.9	175.3	-68.2	-45.9	0	0	0	109.6	I666 S667	D648-I666 CarbonylContact O-C 3.6Å; D648-I666 WeakPolarHBondContact O-CA 3.45Å; D648-S667 PolarHBondContact N-O 3.23Å; D648-S667 PolarHBondContact O-N 3.39Å
649	G	76	Confident	75.1	Confident	40 Å²	40	66.4 Å²	66.4	41%	0.412	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129	178.7	0	0	0	0	0	111.3	R665	G649-R665 CarbonylContact C-O 3.53Å; G649-R665 VanDerWaalsContact CA-O 3.29Å; G649-R665 WeakPolarHBondContact CA-O 3.2Å
650	Y	77.1	Confident	76	Confident	112 Å²	112	66.3 Å²	66.3	44%	0.439	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149	175.7	63.5	-88.4	0	0	0	111.8	R665	Y650-R665 HydrophobicContact CD2-CB 4.48Å; Y650-R665 HydrophobicContact CE1-CB 4.14Å; Y650-R665 HydrophobicContact CE2-CB 4.08Å; Y650-R665 HydrophobicContact CE2-CG 4.31Å; Y650-R665 PolarHBondContact N-O 3.43Å; Y650-R665 PolarHBondContact O-N 2.95Å; Y650-R665 WeakPolarHBondContact OH-CD 3.2Å
651	F	77.9	Confident	76.7	Confident	52 Å²	52	68 Å²	68	23%	0.228	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	145	169.1	-66.9	-77	0	0	0	110.1	V653 M662 F664 F685 I715 I726	F651-V653 WeakPolarHBondContact CB-O 3.19Å; F651-V653 PolarHBondContact O-N 2.99Å; F651-M662 HydrophobicContact CB-CE 4.33Å; F651-M662 HydrophobicContact CD1-CE 3.08Å; F651-M662 HydrophobicContact CE1-CE 3.3Å; F651-M662 HydrophobicContact CG-CE 3.78Å; F651-M662 HydrophobicContact CZ-CE 4.17Å; F651-F664 HydrophobicContact CD1-CB 3.92Å; F651-F664 AromaticContact CD1-CD2 3.62Å; F651-F664 HydrophobicContact CD1-CD2 3.62Å; F651-F664 HydrophobicContact CD1-CG 4.24Å; F651-F664 HydrophobicContact CD2-CD2 4.15Å; F651-F664 HydrophobicContact CD2-CE2 4.48Å; F651-F664 HydrophobicContact CE1-CB 3.8Å; F651-F664 AromaticContact CE1-CD2 3.46Å; F651-F664 HydrophobicContact CE1-CD2 3.46Å; F651-F664 VanDerWaalsContact CE1-CD2 3.46Å; F651-F664 HydrophobicContact CE1-CE2 4.37Å; F651-F664 AromaticContact CE1-CG 3.97Å; F651-F664 HydrophobicContact CE1-CG 3.97Å; F651-F664 AromaticContact CE2-CD2 3.99Å; F651-F664 HydrophobicContact CE2-CD2 3.99Å; F651-F664 HydrophobicContact CE2-CE2 4.18Å; F651-F664 AromaticContact CG-CD2 4Å; F651-F664 HydrophobicContact CG-CD2 4Å; F651-F664 AromaticContact CZ-CD2 3.67Å; F651-F664 HydrophobicContact CZ-CD2 3.67Å; F651-F664 HydrophobicContact CZ-CE2 4.15Å; F651-F664 HydrophobicContact CZ-CG 4.45Å; F651-F685 HydrophobicContact CE1-CE1 4.18Å; F651-F685 HydrophobicContact CZ-CD1 4.17Å; F651-F685 AromaticContact CZ-CE1 3.61Å; F651-F685 HydrophobicContact CZ-CE1 3.61Å; F651-I715 HydrophobicContact CE1-CD1 3.95Å; F651-I726 WeakPolarHBondContact CE2-O 3.4Å; F651-I726 HydrophobicContact CZ-CG2 3.96Å
652	N	80.8	Confident	77	Confident	69 Å²	69	67.7 Å²	67.7	37%	0.369	38%	0.384	S	S	.	.	S	Bend	trans	-67.4	-24.9	174.7	65	-26.7	0	0	0	113.3	L663	N652-L663 HydrophobicContact CB-CB 4.23Å; N652-L663 VanDerWaalsContact CG-N 3.34Å; N652-L663 PolarHBondContact N-O 3.05Å; N652-L663 PolarHBondContact ND2-N 3.41Å; N652-L663 PolarHBondContact OD1-N 3.3Å; N652-L663 PolarHBondContact OD1-O 2.87Å; N652-L663 VanDerWaalsContact OD1-O 3.14Å
653	V	78.4	Confident	77.3	Confident	69 Å²	69	67.6 Å²	67.6	42%	0.418	38%	0.384	S	S	.	.			trans	-131.6	143.5	-179.5	-158.7	0	0	0	0	109.8	F651 E655	F651-V653 WeakPolarHBondContact CB-O 3.19Å; F651-V653 PolarHBondContact O-N 2.99Å; V653-E655 WeakPolarHBondContact CG1-O 3.21Å
654	S	78.8	Confident	77.6	Confident	122 Å²	122	67.5 Å²	67.5	85%	0.853	38%	0.382	S	S	*	.	S	Bend	trans	-77	-30.3	175.2	52.8	0	0	0	0	113.2
655	E	76.8	Confident	77.7	Confident	165 Å²	165	72.1 Å²	72.1	77%	0.771	40%	0.399	S	S	*	.			trans	-136.9	135.2	-177.6	-64.2	178.2	-175.7	0	0	109.1	V653	V653-E655 WeakPolarHBondContact CG1-O 3.21Å
656	A	75.1	Confident	77.6	Confident	42 Å²	42	71.7 Å²	71.7	35%	0.347	40%	0.397	S	S	.	.			trans	-132.2	137.1	-179.3	0	0	0	0	0	110.1	M662 P717	A656-M662 HydrophobicContact CB-CB 4.41Å; A656-M662 HydrophobicContact CB-CG 4.49Å; A656-M662 HydrophobicContact CB-SD 3.92Å; A656-P717 HydrophobicContact CB-CG 3.95Å
657	F	77.8	Confident	77.7	Confident	172 Å²	172	69.9 Å²	69.9	75%	0.754	39%	0.385	S	S	*	.			trans	-76.5	152.9	173.7	-62.3	-82.5	0	0	0	110.3	G659 T660	F657-G659 PolarHBondContact O-N 2.81Å; F657-T660 HydrophobicContact CB-CG2 3.79Å; F657-T660 PolarHBondContact N-OG1 3.21Å; F657-T660 WeakPolarHBondContact O-CB 3.4Å; F657-T660 PolarHBondContact O-N 3.47Å; F657-T660 PolarHBondContact O-OG1 2.79Å
658	V	74.5	Confident	77.9	Confident	74 Å²	74	68.2 Å²	68.2	45%	0.448	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	129.2	175.2	176.1	0	0	0	0	109.8	T660 A719 V722	V658-T660 VanDerWaalsContact C-N 3.3Å; V658-T660 PolarHBondContact O-N 3.29Å; V658-A719 HydrophobicContact CG1-CB 4.04Å; V658-V722 HydrophobicContact CG2-CG2 3.35Å
659	G	76.9	Confident	78.1	Confident	58 Å²	58	66.2 Å²	66.2	60%	0.598	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-4.9	-177.8	0	0	0	0	0	115.7	F657 P717	F657-G659 PolarHBondContact O-N 2.81Å; G659-P717 PolarHBondContact N-O 3.15Å
660	T	80	Confident	78.5	Confident	58 Å²	58	64.3 Å²	64.3	36%	0.356	35%	0.345	S	S	.	.			trans	-79.9	137.2	172.9	60.1	0	0	0	0	111.5	F657 V658 M662 P717	F657-T660 HydrophobicContact CB-CG2 3.79Å; F657-T660 PolarHBondContact N-OG1 3.21Å; F657-T660 WeakPolarHBondContact O-CB 3.4Å; F657-T660 PolarHBondContact O-N 3.47Å; F657-T660 PolarHBondContact O-OG1 2.79Å; V658-T660 VanDerWaalsContact C-N 3.3Å; V658-T660 PolarHBondContact O-N 3.29Å; T660-M662 PolarHBondContact O-N 3.2Å; T660-P717 WeakPolarHBondContact O-CD 3.5Å
661	E	79.1	Confident	78.7	Confident	128 Å²	128	61.1 Å²	61.1	60%	0.598	34%	0.335	S	S	*	.			trans	-75.3	117	176.2	-65.5	-174.4	-178.6	0	0	110.4	Q714	E661-Q714 PolarHBondContact OE2-NE2 3.49Å
662	M	78.3	Confident	78.9	Confident	12 Å²	12	58.8 Å²	58.8	6%	0.059	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.9	169.8	51.8	-178.6	-64.8	0	0	110.2	F651 A656 T660 Q714 I715 P717 I726	F651-M662 HydrophobicContact CB-CE 4.33Å; F651-M662 HydrophobicContact CD1-CE 3.08Å; F651-M662 HydrophobicContact CE1-CE 3.3Å; F651-M662 HydrophobicContact CG-CE 3.78Å; F651-M662 HydrophobicContact CZ-CE 4.17Å; A656-M662 HydrophobicContact CB-CB 4.41Å; A656-M662 HydrophobicContact CB-CG 4.49Å; A656-M662 HydrophobicContact CB-SD 3.92Å; T660-M662 PolarHBondContact O-N 3.2Å; M662-Q714 WeakPolarHBondContact O-CA 3.47Å; M662-I715 HydrophobicContact CG-CB 3.96Å; M662-I715 HydrophobicContact CG-CG2 4.09Å; M662-I715 WeakPolarHBondContact CG-O 3.49Å; M662-I715 PolarHBondContact N-O 3.42Å; M662-I715 PolarHBondContact O-N 2.77Å; M662-I715 HydrophobicContact SD-CG2 4.16Å; M662-P717 HydrophobicContact CG-CG 4.37Å; M662-P717 HydrophobicContact SD-CG 3.75Å; M662-I726 HydrophobicContact SD-CD1 4.35Å
663	L	80.1	Confident	78.8	Confident	52 Å²	52	57.9 Å²	57.9	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.1	-179.6	-68.8	168.8	0	0	0	109.7	N652 Q713 Q714	N652-L663 HydrophobicContact CB-CB 4.23Å; N652-L663 VanDerWaalsContact CG-N 3.34Å; N652-L663 PolarHBondContact N-O 3.05Å; N652-L663 PolarHBondContact ND2-N 3.41Å; N652-L663 PolarHBondContact OD1-N 3.3Å; N652-L663 PolarHBondContact OD1-O 2.87Å; N652-L663 VanDerWaalsContact OD1-O 3.14Å; L663-Q713 CarbonylContact C-O 3.59Å; L663-Q713 WeakPolarHBondContact CA-O 3.37Å; L663-Q714 HydrophobicContact CD2-CB 4.42Å; L663-Q714 HydrophobicContact CD2-CG 3.42Å; L663-Q714 VanDerWaalsContact CD2-CG 3.42Å
664	F	78.9	Confident	79	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.1	167.4	-176.4	-110.6	0	0	0	109.3	F651 I666 V683 F685 C712 Q713 I715 V728	F651-F664 HydrophobicContact CD1-CB 3.92Å; F651-F664 AromaticContact CD1-CD2 3.62Å; F651-F664 HydrophobicContact CD1-CD2 3.62Å; F651-F664 HydrophobicContact CD1-CG 4.24Å; F651-F664 HydrophobicContact CD2-CD2 4.15Å; F651-F664 HydrophobicContact CD2-CE2 4.48Å; F651-F664 HydrophobicContact CE1-CB 3.8Å; F651-F664 AromaticContact CE1-CD2 3.46Å; F651-F664 HydrophobicContact CE1-CD2 3.46Å; F651-F664 VanDerWaalsContact CE1-CD2 3.46Å; F651-F664 HydrophobicContact CE1-CE2 4.37Å; F651-F664 AromaticContact CE1-CG 3.97Å; F651-F664 HydrophobicContact CE1-CG 3.97Å; F651-F664 AromaticContact CE2-CD2 3.99Å; F651-F664 HydrophobicContact CE2-CD2 3.99Å; F651-F664 HydrophobicContact CE2-CE2 4.18Å; F651-F664 AromaticContact CG-CD2 4Å; F651-F664 HydrophobicContact CG-CD2 4Å; F651-F664 AromaticContact CZ-CD2 3.67Å; F651-F664 HydrophobicContact CZ-CD2 3.67Å; F651-F664 HydrophobicContact CZ-CE2 4.15Å; F651-F664 HydrophobicContact CZ-CG 4.45Å; F664-I666 HydrophobicContact CD1-CD1 4.04Å; F664-I666 HydrophobicContact CD1-CG1 3.76Å; F664-I666 HydrophobicContact CE1-CD1 3.72Å; F664-I666 HydrophobicContact CE1-CG1 3.33Å; F664-I666 HydrophobicContact CZ-CG1 4.17Å; F664-V683 HydrophobicContact CE1-CG1 3.74Å; F664-V683 HydrophobicContact CE1-CG2 4.23Å; F664-V683 HydrophobicContact CZ-CG1 4.25Å; F664-F685 HydrophobicContact CD1-CE1 4.34Å; F664-F685 AromaticContact CD1-CZ 3.72Å; F664-F685 HydrophobicContact CD1-CZ 3.72Å; F664-F685 HydrophobicContact CD2-CE1 4.18Å; F664-F685 HydrophobicContact CD2-CZ 4.32Å; F664-F685 HydrophobicContact CE1-CE1 4.32Å; F664-F685 AromaticContact CE1-CZ 3.9Å; F664-F685 HydrophobicContact CE1-CZ 3.9Å; F664-F685 HydrophobicContact CE2-CE1 4.18Å; F664-F685 HydrophobicContact CE2-CZ 4.49Å; F664-F685 HydrophobicContact CG-CE1 4.26Å; F664-F685 AromaticContact CG-CZ 3.93Å; F664-F685 HydrophobicContact CG-CZ 3.93Å; F664-F685 HydrophobicContact CZ-CE1 4.25Å; F664-F685 HydrophobicContact CZ-CZ 4.29Å; F664-C712 CarbonylContact O-C 3.55Å; F664-C712 WeakPolarHBondContact O-CA 3.28Å; F664-Q713 PolarHBondContact N-O 2.93Å; F664-Q713 PolarHBondContact O-N 3.34Å; F664-I715 HydrophobicContact CB-CD1 3.91Å; F664-V728 HydrophobicContact CE2-CG2 3.88Å; F664-V728 HydrophobicContact CZ-CG2 3.69Å
665	R	80	Confident	79.1	Confident	97 Å²	97	59.3 Å²	59.3	37%	0.366	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.6	179.4	-63.7	-168.3	173.8	168.8	-0.8	110.3	G649 Y650 T710 F711	G649-R665 CarbonylContact C-O 3.53Å; G649-R665 VanDerWaalsContact CA-O 3.29Å; G649-R665 WeakPolarHBondContact CA-O 3.2Å; Y650-R665 HydrophobicContact CD2-CB 4.48Å; Y650-R665 HydrophobicContact CE1-CB 4.14Å; Y650-R665 HydrophobicContact CE2-CB 4.08Å; Y650-R665 HydrophobicContact CE2-CG 4.31Å; Y650-R665 PolarHBondContact N-O 3.43Å; Y650-R665 PolarHBondContact O-N 2.95Å; Y650-R665 WeakPolarHBondContact OH-CD 3.2Å; R665-T710 HydrophobicContact CB-CG2 4.42Å; R665-F711 CarbonylContact C-O 3.54Å; R665-F711 WeakPolarHBondContact CA-O 3.42Å
666	I	77.8	Confident	79.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.7	176.9	-54.6	161	0	0	0	107.2	D648 F664 I668 V683 F694 T710 F711 L734	D648-I666 CarbonylContact O-C 3.6Å; D648-I666 WeakPolarHBondContact O-CA 3.45Å; F664-I666 HydrophobicContact CD1-CD1 4.04Å; F664-I666 HydrophobicContact CD1-CG1 3.76Å; F664-I666 HydrophobicContact CE1-CD1 3.72Å; F664-I666 HydrophobicContact CE1-CG1 3.33Å; F664-I666 HydrophobicContact CZ-CG1 4.17Å; I666-I668 HydrophobicContact CG2-CD1 4.25Å; I666-I668 HydrophobicContact CG2-CG1 3.93Å; I666-V683 HydrophobicContact CD1-CG2 3.4Å; I666-V683 VanDerWaalsContact CD1-CG2 3.4Å; I666-F694 HydrophobicContact CD1-CD2 4.37Å; I666-F694 HydrophobicContact CD1-CE2 3.48Å; I666-F694 VanDerWaalsContact CD1-CE2 3.48Å; I666-F694 HydrophobicContact CD1-CZ 4.01Å; I666-T710 CarbonylContact O-C 3.57Å; I666-T710 VanDerWaalsContact O-CA 3.26Å; I666-T710 WeakPolarHBondContact O-CA 3.26Å; I666-F711 PolarHBondContact N-O 3.12Å; I666-F711 PolarHBondContact O-N 3.04Å; I666-L734 HydrophobicContact CD1-CD2 4.24Å; I666-L734 HydrophobicContact CG2-CD2 3.94Å
667	S	77.6	Confident	79.1	Confident	11 Å²	11	54 Å²	54	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.6	173.5	-56	0	0	0	0	108.9	D648 A709	D648-S667 PolarHBondContact N-O 3.23Å; D648-S667 PolarHBondContact O-N 3.39Å; S667-A709 CarbonylContact C-O 3.44Å; S667-A709 WeakPolarHBondContact CA-O 3.37Å
668	I	80.1	Confident	78.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.6	-179.2	-51.8	-167.5	0	0	0	108.2	I645 S646 L647 I666 L678 I681 L703 M708 A709 F711	I645-I668 HydrophobicContact CG2-CG2 3.57Å; S646-I668 WeakPolarHBondContact O-CA 3.12Å; L647-I668 HydrophobicContact CD2-CB 4.11Å; L647-I668 HydrophobicContact CD2-CD1 3.71Å; L647-I668 HydrophobicContact CD2-CG1 3.57Å; L647-I668 HydrophobicContact CD2-CG2 3.8Å; I666-I668 HydrophobicContact CG2-CD1 4.25Å; I666-I668 HydrophobicContact CG2-CG1 3.93Å; I668-L678 HydrophobicContact CD1-CD1 4.48Å; I668-I681 HydrophobicContact CD1-CD1 3.43Å; I668-I681 VanDerWaalsContact CD1-CD1 3.43Å; I668-I681 HydrophobicContact CD1-CG1 4.09Å; I668-L703 HydrophobicContact CB-CD2 4.29Å; I668-L703 HydrophobicContact CG2-CD1 3.71Å; I668-L703 HydrophobicContact CG2-CD2 4Å; I668-M708 WeakPolarHBondContact O-CA 3.44Å; I668-A709 PolarHBondContact N-O 2.91Å; I668-A709 PolarHBondContact O-N 2.73Å; I668-F711 HydrophobicContact CD1-CD2 4.14Å; I668-F711 HydrophobicContact CD1-CE2 3.97Å; I668-F711 HydrophobicContact CG1-CD2 4.33Å; I668-F711 HydrophobicContact CG1-CE2 4.27Å
669	M	79.1	Confident	78.4	Confident	55 Å²	55	44.8 Å²	44.8	27%	0.271	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.2	174	-173.4	-171	-69.2	0	0	109.8	S646 L671 M708	S646-M669 PolarHBondContact N-O 2.91Å; S646-M669 PolarHBondContact O-N 3.24Å; M669-L671 HydrophobicContact CG-CD2 4.22Å; M669-L671 HydrophobicContact SD-CD2 3.8Å; M669-M708 HydrophobicContact CB-CG 4.4Å; M669-M708 HydrophobicContact CE-CG 3.36Å; M669-M708 HydrophobicContact CE-SD 3.79Å
670	L	82.9	Confident	77.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.2	173.3	-176.3	67	0	0	0	110.3	I645 A672 E674 M676 L703 P705 G706	I645-L670 HydrophobicContact CG1-CD1 4.22Å; L670-A672 HydrophobicContact CD1-CB 3.63Å; L670-A672 HydrophobicContact CD2-CB 4.17Å; L670-A672 HydrophobicContact CG-CB 3.79Å; L670-E674 VanDerWaalsContact CD2-O 3.25Å; L670-E674 WeakPolarHBondContact CD2-O 3.46Å; L670-M676 HydrophobicContact CD1-CB 4.02Å; L670-M676 HydrophobicContact CD1-CE 4.31Å; L670-M676 HydrophobicContact CD1-SD 4.23Å; L670-M676 HydrophobicContact CD2-CB 3.59Å; L670-M676 HydrophobicContact CG-CB 4.48Å; L670-L703 HydrophobicContact CB-CB 3.79Å; L670-L703 HydrophobicContact CB-CD1 4.19Å; L670-L703 HydrophobicContact CD2-CB 3.97Å; L670-L703 VanDerWaalsContact CD2-O 3.25Å; L670-L703 WeakPolarHBondContact CD2-O 3.35Å; L670-L703 HydrophobicContact CG-CB 4.43Å; L670-P705 WeakPolarHBondContact O-CA 3.02Å; L670-G706 PolarHBondContact O-N 2.7Å
671	L	82.2	Confident	77.4	Confident	46 Å²	46	42.8 Å²	42.8	24%	0.241	20%	0.195	C	C	.	.			trans	-103.9	8.1	177.7	-55	174.5	0	0	0	112.6	P581 R590 C644 M669	P581-L671 HydrophobicContact CG-CB 3.72Å; P581-L671 HydrophobicContact CG-CD1 4.16Å; P581-L671 HydrophobicContact CG-CD2 4.5Å; P581-L671 HydrophobicContact CG-CG 4.36Å; R590-L671 PolarHBondContact NH2-O 3.41Å; C644-L671 HydrophobicContact CB-CB 4.44Å; C644-L671 WeakPolarHBondContact O-CB 3.43Å; C644-L671 PolarHBondContact O-N 3.33Å; M669-L671 HydrophobicContact CG-CD2 4.22Å; M669-L671 HydrophobicContact SD-CD2 3.8Å
672	A	80.9	Confident	77	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.025	17%	0.172	C	C	.	.	S	Bend	trans	-79.3	159.6	176	0	0	0	0	0	111.3	Y594 C644 L670 E674 P705	Y594-A672 HydrophobicContact CD2-CB 4.11Å; Y594-A672 HydrophobicContact CE2-CB 4.1Å; C644-A672 HydrophobicContact CB-CB 4.36Å; L670-A672 HydrophobicContact CD1-CB 3.63Å; L670-A672 HydrophobicContact CD2-CB 4.17Å; L670-A672 HydrophobicContact CG-CB 3.79Å; A672-E674 VanDerWaalsContact C-N 3.33Å; A672-E674 PolarHBondContact O-N 2.83Å; A672-P705 WeakPolarHBondContact O-CB 3.29Å; A672-P705 WeakPolarHBondContact O-CG 3.23Å
673	P	78.9	Confident	76.5	Confident	49 Å²	49	37 Å²	37	32%	0.318	17%	0.169	S	C	.	.	S	Bend	trans	-71.5	-23.5	-176.6	27.5	-35.1	0	0	0	114.4	R591 Y594	R591-P673 HydrophobicContact CG-CG 4.48Å; Y594-P673 HydrophobicContact CG-CG 4.4Å
674	E	83	Confident	76	Confident	100 Å²	100	38.2 Å²	38.2	47%	0.467	17%	0.173	S	C	.	.	S	Bend	trans	-129.7	161.3	-175	-71.8	179.7	-165.7	0	0	110.9	Y594 L670 A672 M676	Y594-E674 HydrophobicContact CD1-CB 3.84Å; Y594-E674 HydrophobicContact CD1-CG 4.28Å; Y594-E674 WeakPolarHBondContact CD1-OE2 3.33Å; Y594-E674 HydrophobicContact CE1-CB 3.42Å; Y594-E674 VanDerWaalsContact CE1-CB 3.42Å; Y594-E674 HydrophobicContact CE1-CG 4.25Å; Y594-E674 VanDerWaalsContact CE1-OE2 3.26Å; Y594-E674 WeakPolarHBondContact CE1-OE2 3.07Å; L670-E674 VanDerWaalsContact CD2-O 3.25Å; L670-E674 WeakPolarHBondContact CD2-O 3.46Å; A672-E674 VanDerWaalsContact C-N 3.33Å; A672-E674 PolarHBondContact O-N 2.83Å; E674-M676 PolarHBondContact O-N 2.91Å
675	K	80.8	Confident	75.6	Confident	121 Å²	121	38.2 Å²	38.2	53%	0.526	17%	0.173	S	C	.	.			trans	-65.2	130	-178.6	66.9	-178.1	-179.2	178.5	0	112	Y594 F702 L703	Y594-K675 VanDerWaalsContact OH-C 3.22Å; Y594-K675 PolarHBondContact OH-O 2.98Å; K675-F702 HydrophobicContact CD-CB 4.44Å; K675-F702 HydrophobicContact CD-CD1 4.16Å; K675-F702 HydrophobicContact CD-CG 4.34Å; K675-F702 HydrophobicContact CG-CD1 4.24Å; K675-L703 VanDerWaalsContact CA-O 3.22Å; K675-L703 WeakPolarHBondContact CA-O 3.39Å; K675-L703 WeakPolarHBondContact CB-O 3.36Å
676	M	79.4	Confident	75.1	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.5	-178.5	-173.4	178.2	-76	0	0	110.5	L576 Y594 L597 I645 L670 E674 L703 L738	L576-M676 HydrophobicContact CD2-CE 4.29Å; Y594-M676 HydrophobicContact CD2-CE 4.49Å; Y594-M676 HydrophobicContact CE2-CE 3.82Å; Y594-M676 WeakPolarHBondContact OH-CA 3.32Å; L597-M676 HydrophobicContact CD2-CE 3.76Å; I645-M676 HydrophobicContact CD1-SD 4.08Å; L670-M676 HydrophobicContact CD1-CB 4.02Å; L670-M676 HydrophobicContact CD1-CE 4.31Å; L670-M676 HydrophobicContact CD1-SD 4.23Å; L670-M676 HydrophobicContact CD2-CB 3.59Å; L670-M676 HydrophobicContact CG-CB 4.48Å; E674-M676 PolarHBondContact O-N 2.91Å; M676-L703 PolarHBondContact N-O 3.2Å; M676-L703 VanDerWaalsContact N-O 3.09Å; M676-L703 PolarHBondContact O-N 3.29Å; M676-L738 HydrophobicContact CG-CD2 4.2Å; M676-L738 HydrophobicContact SD-CD1 4.26Å; M676-L738 HydrophobicContact SD-CD2 3.76Å
677	R	73.7	Confident	74.7	Confident	93 Å²	93	39.2 Å²	39.2	35%	0.351	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	123.7	175.3	-174.8	174.6	177.9	-179.8	1.3	110.3	F679 F702	R677-F679 HydrophobicContact CB-CE2 4.36Å; R677-F679 VanDerWaalsContact CD-CZ 3.47Å; R677-F679 HydrophobicContact CG-CD2 4.26Å; R677-F679 HydrophobicContact CG-CE2 3.89Å; R677-F679 HydrophobicContact CG-CZ 4.07Å; R677-F679 VanDerWaalsContact NE-CE1 3.31Å; R677-F702 HydrophobicContact CB-CD1 4.14Å; R677-F702 HydrophobicContact CB-CE1 3.95Å; R677-F702 HydrophobicContact CG-CE1 4.34Å
678	L	70.4	Confident	74.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.7	167.1	-73.3	178.3	0	0	0	110	I668 I681 V701 L703 V736 L738	I668-L678 HydrophobicContact CD1-CD1 4.48Å; L678-I681 HydrophobicContact CD1-CD1 4.37Å; L678-V701 PolarHBondContact N-O 2.88Å; L678-L703 HydrophobicContact CD1-CD1 3.54Å; L678-L703 HydrophobicContact CD1-CD2 3.62Å; L678-L703 HydrophobicContact CD1-CG 3.41Å; L678-L703 VanDerWaalsContact CD1-CG 3.41Å; L678-L703 HydrophobicContact CD2-CD1 3.95Å; L678-L703 HydrophobicContact CG-CD1 3.66Å; L678-L703 HydrophobicContact CG-CD2 4.45Å; L678-L703 HydrophobicContact CG-CG 3.7Å; L678-V736 HydrophobicContact CD2-CG1 3.42Å; L678-V736 VanDerWaalsContact CD2-CG1 3.42Å; L678-L738 HydrophobicContact CD2-CD2 4.46Å
679	F	66.6	Low	73.9	Confident	52 Å²	52	48.8 Å²	48.8	23%	0.228	23%	0.234	C	C	.	.			trans	-117.7	-43.5	178	-72.2	-90.8	0	0	0	112.3	R677 F696 F739	R677-F679 HydrophobicContact CB-CE2 4.36Å; R677-F679 VanDerWaalsContact CD-CZ 3.47Å; R677-F679 HydrophobicContact CG-CD2 4.26Å; R677-F679 HydrophobicContact CG-CE2 3.89Å; R677-F679 HydrophobicContact CG-CZ 4.07Å; R677-F679 VanDerWaalsContact NE-CE1 3.31Å; F679-F696 WeakPolarHBondContact O-CD2 3.15Å; F679-F696 PolarHBondContact O-N 3.13Å; F679-F739 HydrophobicContact CB-CB 3.5Å; F679-F739 HydrophobicContact CB-CD2 4.37Å; F679-F739 HydrophobicContact CB-CG 4.24Å; F679-F739 HydrophobicContact CD1-CB 3.83Å; F679-F739 HydrophobicContact CD2-CB 3.71Å; F679-F739 HydrophobicContact CE1-CB 4.39Å; F679-F739 HydrophobicContact CE2-CB 4.3Å; F679-F739 HydrophobicContact CG-CB 3.42Å; F679-F739 VanDerWaalsContact CG-CB 3.42Å; F679-F739 HydrophobicContact CG-CG 4.46Å
680	R	66.5	Low	73.4	Confident	73 Å²	73	46.9 Å²	46.9	28%	0.275	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.2	179.5	-177.7	-180	-169.6	160.8	4.6	111.2	V682 S693 F694 F737	R680-V682 HydrophobicContact CG-CG2 4.07Å; R680-S693 PolarHBondContact NH2-OG 3.4Å; R680-F694 CarbonylContact C-O 3.57Å; R680-F694 WeakPolarHBondContact CA-O 3.1Å; R680-F694 VanDerWaalsContact CG-O 3.27Å; R680-F694 WeakPolarHBondContact CG-O 3.47Å; R680-F737 HydrophobicContact CB-CB 3.8Å; R680-F737 HydrophobicContact CB-CG 4.37Å; R680-F737 HydrophobicContact CG-CB 4.42Å; R680-F737 HydrophobicContact CG-CD2 4.44Å; R680-F737 HydrophobicContact CG-CG 4.49Å; R680-F737 PolarHBondContact N-O 3.04Å; R680-F737 WeakPolarHBondContact O-CA 3.38Å; R680-F737 VanDerWaalsContact O-CB 3.31Å; R680-F737 WeakPolarHBondContact O-CB 3.36Å; R680-F737 PolarHBondContact O-N 3.24Å
681	I	69.4	Low	72.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.3	171.2	-59.7	159.6	0	0	0	106.4	I668 L678 S693 F694 F696 F711 L734	I668-I681 HydrophobicContact CD1-CD1 3.43Å; I668-I681 VanDerWaalsContact CD1-CD1 3.43Å; I668-I681 HydrophobicContact CD1-CG1 4.09Å; L678-I681 HydrophobicContact CD1-CD1 4.37Å; I681-S693 CarbonylContact O-C 3.59Å; I681-S693 VanDerWaalsContact O-CA 3.27Å; I681-S693 WeakPolarHBondContact O-CA 3.35Å; I681-F694 HydrophobicContact CB-CB 4.23Å; I681-F694 HydrophobicContact CB-CD2 4.09Å; I681-F694 HydrophobicContact CG2-CD2 4.21Å; I681-F694 PolarHBondContact N-O 3.2Å; I681-F694 PolarHBondContact O-N 2.63Å; I681-F696 HydrophobicContact CD1-CE2 3.71Å; I681-F696 HydrophobicContact CD1-CZ 4Å; I681-F696 HydrophobicContact CG1-CE2 4.06Å; I681-F711 HydrophobicContact CD1-CD2 3.8Å; I681-F711 HydrophobicContact CD1-CE2 3.72Å; I681-F711 HydrophobicContact CD1-CG 4.33Å; I681-F711 HydrophobicContact CD1-CZ 4.19Å; I681-L734 HydrophobicContact CG2-CD2 4.11Å
682	V	69.7	Low	71.8	Confident	18 Å²	18	48.8 Å²	48.8	11%	0.109	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.7	174.6	-179.9	0	0	0	0	109	R680 K684 S692 F735 F737	R680-V682 HydrophobicContact CG-CG2 4.07Å; V682-K684 HydrophobicContact CG1-CG 4.37Å; V682-S692 WeakPolarHBondContact CA-O 3.5Å; V682-F735 HydrophobicContact CB-CB 4.39Å; V682-F735 PolarHBondContact N-O 3.38Å; V682-F735 PolarHBondContact O-N 3.1Å; V682-F737 HydrophobicContact CB-CD2 4.09Å; V682-F737 HydrophobicContact CB-CE2 3.55Å; V682-F737 HydrophobicContact CG1-CE2 4.46Å; V682-F737 HydrophobicContact CG2-CD2 3.52Å; V682-F737 HydrophobicContact CG2-CE2 3.11Å; V682-F737 HydrophobicContact CG2-CZ 3.93Å
683	V	68.6	Low	70.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.5	175.5	-169.7	0	0	0	0	107.9	F664 I666 F685 S692 F694 L734	F664-V683 HydrophobicContact CE1-CG1 3.74Å; F664-V683 HydrophobicContact CE1-CG2 4.23Å; F664-V683 HydrophobicContact CZ-CG1 4.25Å; I666-V683 HydrophobicContact CD1-CG2 3.4Å; I666-V683 VanDerWaalsContact CD1-CG2 3.4Å; V683-F685 HydrophobicContact CB-CE2 4.05Å; V683-F685 HydrophobicContact CB-CZ 4.41Å; V683-F685 HydrophobicContact CG1-CD2 4.18Å; V683-F685 HydrophobicContact CG1-CE1 4.15Å; V683-F685 HydrophobicContact CG1-CE2 3.59Å; V683-F685 HydrophobicContact CG1-CZ 3.58Å; V683-S692 PolarHBondContact N-O 3.08Å; V683-S692 PolarHBondContact O-N 3.38Å; V683-S692 VanDerWaalsContact O-N 3.17Å; V683-F694 HydrophobicContact CG2-CE2 4.15Å; V683-L734 HydrophobicContact CG2-CD2 3.85Å
684	K	69.6	Low	70	Confident	79 Å²	79	50.7 Å²	50.7	34%	0.343	25%	0.246	S	C	.	.			trans	-106.3	121.3	172.6	-63.6	-163.6	-173.9	-179.9	0	110.4	V682 N691 V728 C729 K733 F735	V682-K684 HydrophobicContact CG1-CG 4.37Å; K684-N691 VanDerWaalsContact CA-OD1 3.31Å; K684-N691 WeakPolarHBondContact CA-OD1 3.15Å; K684-V728 WeakPolarHBondContact O-CG1 3.41Å; K684-C729 PolarHBondContact O-N 2.87Å; K684-C729 VanDerWaalsContact O-N 3.14Å; K684-K733 HydrophobicContact CB-CB 4.41Å; K684-K733 PolarHBondContact N-O 3.3Å; K684-F735 HydrophobicContact CD-CD2 4.33Å; K684-F735 HydrophobicContact CD-CE2 3.77Å; K684-F735 HydrophobicContact CG-CD2 4.28Å; K684-F735 HydrophobicContact CG-CE2 4.11Å
685	F	70.8	Confident	68.7	Low	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-95.8	156.3	173.1	-62.8	-84.9	0	0	0	110	F651 F664 V683 N687 Y690 N691 I715 I726 V728 C729	F651-F685 HydrophobicContact CE1-CE1 4.18Å; F651-F685 HydrophobicContact CZ-CD1 4.17Å; F651-F685 AromaticContact CZ-CE1 3.61Å; F651-F685 HydrophobicContact CZ-CE1 3.61Å; F664-F685 HydrophobicContact CD1-CE1 4.34Å; F664-F685 AromaticContact CD1-CZ 3.72Å; F664-F685 HydrophobicContact CD1-CZ 3.72Å; F664-F685 HydrophobicContact CD2-CE1 4.18Å; F664-F685 HydrophobicContact CD2-CZ 4.32Å; F664-F685 HydrophobicContact CE1-CE1 4.32Å; F664-F685 AromaticContact CE1-CZ 3.9Å; F664-F685 HydrophobicContact CE1-CZ 3.9Å; F664-F685 HydrophobicContact CE2-CE1 4.18Å; F664-F685 HydrophobicContact CE2-CZ 4.49Å; F664-F685 HydrophobicContact CG-CE1 4.26Å; F664-F685 AromaticContact CG-CZ 3.93Å; F664-F685 HydrophobicContact CG-CZ 3.93Å; F664-F685 HydrophobicContact CZ-CE1 4.25Å; F664-F685 HydrophobicContact CZ-CZ 4.29Å; V683-F685 HydrophobicContact CB-CE2 4.05Å; V683-F685 HydrophobicContact CB-CZ 4.41Å; V683-F685 HydrophobicContact CG1-CD2 4.18Å; V683-F685 HydrophobicContact CG1-CE1 4.15Å; V683-F685 HydrophobicContact CG1-CE2 3.59Å; V683-F685 HydrophobicContact CG1-CZ 3.58Å; F685-N687 CarbonylContact O-C 3.55Å; F685-N687 PolarHBondContact O-N 3.31Å; F685-N687 VanDerWaalsContact O-N 3.15Å; F685-Y690 WeakPolarHBondContact CD2-O 3.49Å; F685-Y690 VanDerWaalsContact CE2-O 3.32Å; F685-Y690 WeakPolarHBondContact CE2-O 3.3Å; F685-N691 PolarHBondContact N-OD1 3.15Å; F685-N691 PolarHBondContact O-OD1 3.35Å; F685-I715 HydrophobicContact CE1-CD1 4.17Å; F685-I715 HydrophobicContact CE2-CD1 4.05Å; F685-I715 HydrophobicContact CZ-CD1 3.67Å; F685-I726 HydrophobicContact CD1-CG2 4.11Å; F685-V728 HydrophobicContact CD1-CG2 4.25Å; F685-V728 HydrophobicContact CE1-CG2 4.02Å; F685-C729 PolarHBondContact O-SG 3.19Å
686	N	68.9	Low	67.4	Low	75 Å²	75	44.5 Å²	44.5	40%	0.401	23%	0.225	S	C	.	.	S	Bend	trans	-50.3	-36.7	175.1	61.8	-11.2	0	0	0	112.5	E725 Q727 C729	N686-E725 PolarHBondContact ND2-O 3.39Å; N686-Q727 VanDerWaalsContact CG-O 3.31Å; N686-Q727 PolarHBondContact N-O 2.87Å; N686-Q727 PolarHBondContact ND2-N 3.05Å; N686-Q727 PolarHBondContact OD1-N 3.37Å; N686-Q727 PolarHBondContact OD1-O 2.93Å; N686-C729 PolarHBondContact N-SG 3.38Å
687	N	70.2	Confident	66	Low	43 Å²	43	49.6 Å²	49.6	23%	0.23	25%	0.252	C	S	.	.	S	Bend	trans	-97.6	120.4	170.4	-168.6	-17.7	0	0	0	111	F685 S689 Y690 H721	F685-N687 CarbonylContact O-C 3.55Å; F685-N687 PolarHBondContact O-N 3.31Å; F685-N687 VanDerWaalsContact O-N 3.15Å; N687-S689 VanDerWaalsContact CG-OG 3.28Å; N687-S689 PolarHBondContact O-N 2.92Å; N687-S689 VanDerWaalsContact O-N 3.1Å; N687-S689 PolarHBondContact OD1-N 3.39Å; N687-S689 PolarHBondContact OD1-OG 3.36Å; N687-S689 VanDerWaalsContact OD1-OG 3.06Å; N687-Y690 HydrophobicContact CB-CD2 3.92Å; N687-Y690 HydrophobicContact CB-CE2 4.26Å; N687-Y690 PolarHBondContact O-N 3Å; N687-Y690 VanDerWaalsContact O-N 3.15Å; N687-H721 PolarHBondContact ND2-CD2 3.2Å; N687-H721 PolarHBondContact ND2-CE1 3.09Å; N687-H721 PolarHBondContact ND2-NE2 2.86Å
688	Q	70.7	Confident	64.8	Low	161 Å²	161	53.8 Å²	53.8	75%	0.752	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.5	-176	-61.8	-178.1	7.9	0	0	113.3	Y690 N691	Q688-Y690 PolarHBondContact O-N 3.38Å; Q688-N691 WeakPolarHBondContact CA-ND2 3.43Å; Q688-N691 WeakPolarHBondContact O-CB 3.32Å; Q688-N691 PolarHBondContact O-N 3.48Å; Q688-N691 PolarHBondContact O-ND2 3.34Å
689	S	69	Low	63.8	Low	50 Å²	50	59.9 Å²	59.9	35%	0.35	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.9	177.7	63.7	0	0	0	0	113.7	N687 H721	N687-S689 VanDerWaalsContact CG-OG 3.28Å; N687-S689 PolarHBondContact O-N 2.92Å; N687-S689 VanDerWaalsContact O-N 3.1Å; N687-S689 PolarHBondContact OD1-N 3.39Å; N687-S689 PolarHBondContact OD1-OG 3.36Å; N687-S689 VanDerWaalsContact OD1-OG 3.06Å; S689-H721 PolarHBondContact OG-CE1 3.42Å
690	Y	69.8	Low	63.2	Low	15 Å²	15	60.4 Å²	60.4	6%	0.059	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-99.3	-5.5	-177.4	-61	-57.2	0	0	0	113.9	F685 N687 Q688 S692 I715 P717 R718 H721 I726	F685-Y690 WeakPolarHBondContact CD2-O 3.49Å; F685-Y690 VanDerWaalsContact CE2-O 3.32Å; F685-Y690 WeakPolarHBondContact CE2-O 3.3Å; N687-Y690 HydrophobicContact CB-CD2 3.92Å; N687-Y690 HydrophobicContact CB-CE2 4.26Å; N687-Y690 PolarHBondContact O-N 3Å; N687-Y690 VanDerWaalsContact O-N 3.15Å; Q688-Y690 PolarHBondContact O-N 3.38Å; Y690-S692 PolarHBondContact O-N 3.43Å; Y690-I715 HydrophobicContact CD1-CG2 3.57Å; Y690-I715 HydrophobicContact CE1-CG2 3.71Å; Y690-I715 HydrophobicContact CG-CG2 4.21Å; Y690-P717 WeakPolarHBondContact OH-CA 3.45Å; Y690-R718 PolarHBondContact OH-N 2.75Å; Y690-H721 AromaticContact CE2-CE1 3.94Å; Y690-H721 AromaticContact CE2-ND1 3.5Å; Y690-H721 AromaticContact CZ-CE1 3.92Å; Y690-H721 AromaticContact CZ-ND1 3.39Å; Y690-H721 PolarHBondContact OH-ND1 3.45Å; Y690-I726 HydrophobicContact CD2-CD1 4.22Å; Y690-I726 HydrophobicContact CD2-CG1 4.45Å; Y690-I726 HydrophobicContact CD2-CG2 4.21Å; Y690-I726 HydrophobicContact CE2-CD1 3.67Å; Y690-I726 HydrophobicContact CE2-CG1 4.08Å
691	N	67.4	Low	63.3	Low	68 Å²	68	58.5 Å²	58.5	36%	0.364	31%	0.314	S	S	.	.			trans	-52.6	131	178.9	-73.2	-15.9	0	0	0	110.3	K684 F685 Q688	K684-N691 VanDerWaalsContact CA-OD1 3.31Å; K684-N691 WeakPolarHBondContact CA-OD1 3.15Å; F685-N691 PolarHBondContact N-OD1 3.15Å; F685-N691 PolarHBondContact O-OD1 3.35Å; Q688-N691 WeakPolarHBondContact CA-ND2 3.43Å; Q688-N691 WeakPolarHBondContact O-CB 3.32Å; Q688-N691 PolarHBondContact O-N 3.48Å; Q688-N691 PolarHBondContact O-ND2 3.34Å
692	S	64.2	Low	63.5	Low	18 Å²	18	62.9 Å²	62.9	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.2	-179.9	66	0	0	0	0	111.3	V682 V683 Y690 Q713	V682-S692 WeakPolarHBondContact CA-O 3.5Å; V683-S692 PolarHBondContact N-O 3.08Å; V683-S692 PolarHBondContact O-N 3.38Å; V683-S692 VanDerWaalsContact O-N 3.17Å; Y690-S692 PolarHBondContact O-N 3.43Å; S692-Q713 VanDerWaalsContact CB-NE2 3.27Å; S692-Q713 PolarHBondContact OG-OE1 3.37Å
693	S	61.8	Low	63.8	Low	54 Å²	54	62.1 Å²	62.1	38%	0.378	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.6	169.5	66.2	0	0	0	0	109.9	R680 I681	R680-S693 PolarHBondContact NH2-OG 3.4Å; I681-S693 CarbonylContact O-C 3.59Å; I681-S693 VanDerWaalsContact O-CA 3.27Å; I681-S693 WeakPolarHBondContact O-CA 3.35Å
694	F	59.5	Low	64.5	Low	39 Å²	39	67.2 Å²	67.2	17%	0.171	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.8	165.9	-54.4	-92.5	0	0	0	107.4	I666 R680 I681 V683 F696 F711 Q713	I666-F694 HydrophobicContact CD1-CD2 4.37Å; I666-F694 HydrophobicContact CD1-CE2 3.48Å; I666-F694 VanDerWaalsContact CD1-CE2 3.48Å; I666-F694 HydrophobicContact CD1-CZ 4.01Å; R680-F694 CarbonylContact C-O 3.57Å; R680-F694 WeakPolarHBondContact CA-O 3.1Å; R680-F694 VanDerWaalsContact CG-O 3.27Å; R680-F694 WeakPolarHBondContact CG-O 3.47Å; I681-F694 HydrophobicContact CB-CB 4.23Å; I681-F694 HydrophobicContact CB-CD2 4.09Å; I681-F694 HydrophobicContact CG2-CD2 4.21Å; I681-F694 PolarHBondContact N-O 3.2Å; I681-F694 PolarHBondContact O-N 2.63Å; V683-F694 HydrophobicContact CG2-CE2 4.15Å; F694-F696 HydrophobicContact CB-CE1 4.38Å; F694-F696 HydrophobicContact CB-CE2 3.9Å; F694-F696 HydrophobicContact CB-CZ 3.65Å; F694-F696 HydrophobicContact CG-CZ 4.49Å; F694-F711 HydrophobicContact CE1-CB 4.21Å; F694-F711 HydrophobicContact CZ-CB 4.29Å; F694-Q713 HydrophobicContact CE1-CB 4.47Å; F694-Q713 HydrophobicContact CZ-CB 3.87Å
695	S	54.9	Low	65	Low	61 Å²	61	66 Å²	66	43%	0.427	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.2	172	47.8	0	0	0	0	109.5
696	F	55.1	Low	65.5	Low	30 Å²	30	68.3 Å²	68.3	13%	0.132	38%	0.377	C	S	.	.			trans	-109.4	74.6	179.9	-50.8	-77.6	0	0	0	108.6	F679 I681 F694 V701 F711	F679-F696 WeakPolarHBondContact O-CD2 3.15Å; F679-F696 PolarHBondContact O-N 3.13Å; I681-F696 HydrophobicContact CD1-CE2 3.71Å; I681-F696 HydrophobicContact CD1-CZ 4Å; I681-F696 HydrophobicContact CG1-CE2 4.06Å; F694-F696 HydrophobicContact CB-CE1 4.38Å; F694-F696 HydrophobicContact CB-CE2 3.9Å; F694-F696 HydrophobicContact CB-CZ 3.65Å; F694-F696 HydrophobicContact CG-CZ 4.49Å; F696-V701 HydrophobicContact CB-CG2 4.09Å; F696-V701 HydrophobicContact CD1-CB 4.42Å; F696-V701 HydrophobicContact CD1-CG2 3.48Å; F696-V701 VanDerWaalsContact CD1-CG2 3.48Å; F696-V701 HydrophobicContact CE1-CG2 4Å; F696-V701 HydrophobicContact CG-CB 4.32Å; F696-V701 HydrophobicContact CG-CG2 3.77Å; F696-F711 HydrophobicContact CE1-CD1 4.03Å; F696-F711 AromaticContact CE1-CE1 3.58Å; F696-F711 HydrophobicContact CE1-CE1 3.58Å; F696-F711 HydrophobicContact CE1-CZ 4.44Å; F696-F711 HydrophobicContact CE2-CE1 4.36Å; F696-F711 AromaticContact CZ-CD1 3.69Å; F696-F711 HydrophobicContact CZ-CD1 3.69Å; F696-F711 AromaticContact CZ-CE1 3.32Å; F696-F711 HydrophobicContact CZ-CE1 3.32Å; F696-F711 AromaticContact CZ-CZ 3.91Å; F696-F711 HydrophobicContact CZ-CZ 3.91Å
697	D	48.3	Very low	66.3	Low	110 Å²	110	69 Å²	69	59%	0.588	38%	0.38	S	S	*	.	S	Bend	trans	-77.7	-33.7	-177.7	-89.1	-13.2	0	0	0	112.4	Y747	D697-Y747 PolarHBondContact OD2-OH 3.01Å
698	Q	49.4	Very low	66.8	Low	181 Å²	181	72.4 Å²	72.4	85%	0.846	40%	0.395	S	S	*	.	S	Bend	trans	-111.9	-41.3	-170.6	-64.4	-176.4	0.5	0	0	113.5	C700	Q698-C700 PolarHBondContact O-N 3Å
699	D	50.5	Low	67.3	Low	129 Å²	129	66 Å²	66	69%	0.69	37%	0.37	S	S	*	.	S	Bend	trans	-85.3	107.8	174	-62.1	-40.9	0	0	0	108.5	V701	D699-V701 VanDerWaalsContact C-N 3.25Å; D699-V701 PolarHBondContact O-N 3.14Å
700	C	53.2	Low	67.8	Low	63 Å²	63	67.1 Å²	67.1	43%	0.426	38%	0.375	S	S	.	.			trans	-64.7	89.6	172.8	-70.3	0	0	0	0	109.2	Q698 F702	Q698-C700 PolarHBondContact O-N 3Å; C700-F702 HydrophobicContact CB-CD2 4.09Å; C700-F702 HydrophobicContact CB-CE2 3.46Å; C700-F702 VanDerWaalsContact CB-CE2 3.46Å; C700-F702 HydrophobicContact CB-CZ 4.08Å; C700-F702 WeakPolarHBondContact O-CD2 3.16Å; C700-F702 PolarHBondContact O-N 3.24Å; C700-F702 VanDerWaalsContact O-N 3.1Å
701	V	68	Low	68.3	Low	32 Å²	32	67.9 Å²	67.9	19%	0.194	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	104.6	175.3	-178.7	0	0	0	0	108.2	L678 F696 D699 F711	L678-V701 PolarHBondContact N-O 2.88Å; F696-V701 HydrophobicContact CB-CG2 4.09Å; F696-V701 HydrophobicContact CD1-CB 4.42Å; F696-V701 HydrophobicContact CD1-CG2 3.48Å; F696-V701 VanDerWaalsContact CD1-CG2 3.48Å; F696-V701 HydrophobicContact CE1-CG2 4Å; F696-V701 HydrophobicContact CG-CB 4.32Å; F696-V701 HydrophobicContact CG-CG2 3.77Å; D699-V701 VanDerWaalsContact C-N 3.25Å; D699-V701 PolarHBondContact O-N 3.14Å; V701-F711 HydrophobicContact CG1-CZ 4.04Å
702	F	73.9	Confident	68.8	Low	93 Å²	93	67.8 Å²	67.8	41%	0.408	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.6	169.6	-67	-82.4	0	0	0	108.8	K675 R677 C700	K675-F702 HydrophobicContact CD-CB 4.44Å; K675-F702 HydrophobicContact CD-CD1 4.16Å; K675-F702 HydrophobicContact CD-CG 4.34Å; K675-F702 HydrophobicContact CG-CD1 4.24Å; R677-F702 HydrophobicContact CB-CD1 4.14Å; R677-F702 HydrophobicContact CB-CE1 3.95Å; R677-F702 HydrophobicContact CG-CE1 4.34Å; C700-F702 HydrophobicContact CB-CD2 4.09Å; C700-F702 HydrophobicContact CB-CE2 3.46Å; C700-F702 VanDerWaalsContact CB-CE2 3.46Å; C700-F702 HydrophobicContact CB-CZ 4.08Å; C700-F702 WeakPolarHBondContact O-CD2 3.16Å; C700-F702 PolarHBondContact O-N 3.24Å; C700-F702 VanDerWaalsContact O-N 3.1Å
703	L	76.1	Confident	69.5	Low	2 Å²	2	68.6 Å²	68.6	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.8	163.8	-66.7	174.2	0	0	0	108.1	I668 L670 K675 M676 L678 A709	I668-L703 HydrophobicContact CB-CD2 4.29Å; I668-L703 HydrophobicContact CG2-CD1 3.71Å; I668-L703 HydrophobicContact CG2-CD2 4Å; L670-L703 HydrophobicContact CB-CB 3.79Å; L670-L703 HydrophobicContact CB-CD1 4.19Å; L670-L703 HydrophobicContact CD2-CB 3.97Å; L670-L703 VanDerWaalsContact CD2-O 3.25Å; L670-L703 WeakPolarHBondContact CD2-O 3.35Å; L670-L703 HydrophobicContact CG-CB 4.43Å; K675-L703 VanDerWaalsContact CA-O 3.22Å; K675-L703 WeakPolarHBondContact CA-O 3.39Å; K675-L703 WeakPolarHBondContact CB-O 3.36Å; M676-L703 PolarHBondContact N-O 3.2Å; M676-L703 VanDerWaalsContact N-O 3.09Å; M676-L703 PolarHBondContact O-N 3.29Å; L678-L703 HydrophobicContact CD1-CD1 3.54Å; L678-L703 HydrophobicContact CD1-CD2 3.62Å; L678-L703 HydrophobicContact CD1-CG 3.41Å; L678-L703 VanDerWaalsContact CD1-CG 3.41Å; L678-L703 HydrophobicContact CD2-CD1 3.95Å; L678-L703 HydrophobicContact CG-CD1 3.66Å; L678-L703 HydrophobicContact CG-CD2 4.45Å; L678-L703 HydrophobicContact CG-CG 3.7Å; L703-A709 HydrophobicContact CD2-CB 3.66Å
704	E	82.2	Confident	70.3	Confident	106 Å²	106	72 Å²	72	50%	0.495	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-82.5	141.5	170.1	-63.9	-165.7	167.3	0	0	110.3	G706 I707	E704-G706 PolarHBondContact O-N 3.22Å; E704-I707 HydrophobicContact CB-CB 4.17Å; E704-I707 HydrophobicContact CB-CD1 3.74Å; E704-I707 HydrophobicContact CB-CG1 3.94Å; E704-I707 HydrophobicContact CG-CD1 4.42Å; E704-I707 PolarHBondContact O-N 2.6Å; E704-I707 WeakPolarHBondContact OE2-CD1 3.45Å
705	P	81.1	Confident	71.2	Confident	55 Å²	55	70.3 Å²	70.3	36%	0.357	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-52.6	126.9	175.7	-28.5	37	0	0	0	112.5	L670 A672 I707	L670-P705 WeakPolarHBondContact O-CA 3.02Å; A672-P705 WeakPolarHBondContact O-CB 3.29Å; A672-P705 WeakPolarHBondContact O-CG 3.23Å; P705-I707 PolarHBondContact O-N 3.06Å
706	G	81.3	Confident	72.3	Confident	49 Å²	49	70.3 Å²	70.3	51%	0.505	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	-8.4	176.5	0	0	0	0	0	115.9	L670 E704	L670-G706 PolarHBondContact O-N 2.7Å; E704-G706 PolarHBondContact O-N 3.22Å
707	I	85	Confident	73.2	Confident	91 Å²	91	69.5 Å²	69.5	47%	0.467	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-88.4	131	177.5	-54.6	-168	0	0	0	109.5	E704 P705 A709	E704-I707 HydrophobicContact CB-CB 4.17Å; E704-I707 HydrophobicContact CB-CD1 3.74Å; E704-I707 HydrophobicContact CB-CG1 3.94Å; E704-I707 HydrophobicContact CG-CD1 4.42Å; E704-I707 PolarHBondContact O-N 2.6Å; E704-I707 WeakPolarHBondContact OE2-CD1 3.45Å; P705-I707 PolarHBondContact O-N 3.06Å; I707-A709 PolarHBondContact O-N 3.02Å
708	M	81.9	Confident	74.6	Confident	113 Å²	113	71 Å²	71	56%	0.557	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.1	173.5	-62.7	-154.1	-48.8	0	0	110.4	I668 M669	I668-M708 WeakPolarHBondContact O-CA 3.44Å; M669-M708 HydrophobicContact CB-CG 4.4Å; M669-M708 HydrophobicContact CE-CG 3.36Å; M669-M708 HydrophobicContact CE-SD 3.79Å
709	A	80.5	Confident	75.7	Confident	27 Å²	27	66 Å²	66	22%	0.223	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.6	168.5	0	0	0	0	0	109.3	S667 I668 L703 I707 F711	S667-A709 CarbonylContact C-O 3.44Å; S667-A709 WeakPolarHBondContact CA-O 3.37Å; I668-A709 PolarHBondContact N-O 2.91Å; I668-A709 PolarHBondContact O-N 2.73Å; L703-A709 HydrophobicContact CD2-CB 3.66Å; I707-A709 PolarHBondContact O-N 3.02Å; A709-F711 HydrophobicContact CB-CE2 4Å; A709-F711 HydrophobicContact CB-CZ 4.25Å
710	T	80.1	Confident	76.9	Confident	73 Å²	73	67.3 Å²	67.3	45%	0.448	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.6	179.6	-52.6	0	0	0	0	111.1	R665 I666	R665-T710 HydrophobicContact CB-CG2 4.42Å; I666-T710 CarbonylContact O-C 3.57Å; I666-T710 VanDerWaalsContact O-CA 3.26Å; I666-T710 WeakPolarHBondContact O-CA 3.26Å
711	F	79.8	Confident	77.6	Confident	31 Å²	31	65.6 Å²	65.6	14%	0.136	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.3	173.7	-56.3	-83	0	0	0	109.3	R665 I666 I668 I681 F694 F696 V701 A709	R665-F711 CarbonylContact C-O 3.54Å; R665-F711 WeakPolarHBondContact CA-O 3.42Å; I666-F711 PolarHBondContact N-O 3.12Å; I666-F711 PolarHBondContact O-N 3.04Å; I668-F711 HydrophobicContact CD1-CD2 4.14Å; I668-F711 HydrophobicContact CD1-CE2 3.97Å; I668-F711 HydrophobicContact CG1-CD2 4.33Å; I668-F711 HydrophobicContact CG1-CE2 4.27Å; I681-F711 HydrophobicContact CD1-CD2 3.8Å; I681-F711 HydrophobicContact CD1-CE2 3.72Å; I681-F711 HydrophobicContact CD1-CG 4.33Å; I681-F711 HydrophobicContact CD1-CZ 4.19Å; F694-F711 HydrophobicContact CE1-CB 4.21Å; F694-F711 HydrophobicContact CZ-CB 4.29Å; F696-F711 HydrophobicContact CE1-CD1 4.03Å; F696-F711 AromaticContact CE1-CE1 3.58Å; F696-F711 HydrophobicContact CE1-CE1 3.58Å; F696-F711 HydrophobicContact CE1-CZ 4.44Å; F696-F711 HydrophobicContact CE2-CE1 4.36Å; F696-F711 AromaticContact CZ-CD1 3.69Å; F696-F711 HydrophobicContact CZ-CD1 3.69Å; F696-F711 AromaticContact CZ-CE1 3.32Å; F696-F711 HydrophobicContact CZ-CE1 3.32Å; F696-F711 AromaticContact CZ-CZ 3.91Å; F696-F711 HydrophobicContact CZ-CZ 3.91Å; V701-F711 HydrophobicContact CG1-CZ 4.04Å; A709-F711 HydrophobicContact CB-CE2 4Å; A709-F711 HydrophobicContact CB-CZ 4.25Å
712	C	78.5	Confident	77.6	Confident	67 Å²	67	68 Å²	68	45%	0.453	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.8	-179.9	-59.5	0	0	0	0	110.3	F664	F664-C712 CarbonylContact O-C 3.55Å; F664-C712 WeakPolarHBondContact O-CA 3.28Å
713	Q	77.7	Confident	77.4	Confident	34 Å²	34	71.5 Å²	71.5	16%	0.159	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	171.1	178.8	-168.8	-7.9	0	0	110	L663 F664 S692 F694 I715	L663-Q713 CarbonylContact C-O 3.59Å; L663-Q713 WeakPolarHBondContact CA-O 3.37Å; F664-Q713 PolarHBondContact N-O 2.93Å; F664-Q713 PolarHBondContact O-N 3.34Å; S692-Q713 VanDerWaalsContact CB-NE2 3.27Å; S692-Q713 PolarHBondContact OG-OE1 3.37Å; F694-Q713 HydrophobicContact CE1-CB 4.47Å; F694-Q713 HydrophobicContact CZ-CB 3.87Å; Q713-I715 HydrophobicContact CG-CG1 4.24Å
714	Q	79.1	Confident	77.3	Confident	125 Å²	125	76.2 Å²	76.2	58%	0.584	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.9	167.9	-72.8	171	-36.3	0	0	110.7	E661 M662 L663	E661-Q714 PolarHBondContact OE2-NE2 3.49Å; M662-Q714 WeakPolarHBondContact O-CA 3.47Å; L663-Q714 HydrophobicContact CD2-CB 4.42Å; L663-Q714 HydrophobicContact CD2-CG 3.42Å; L663-Q714 VanDerWaalsContact CD2-CG 3.42Å
715	I	78.4	Confident	76.7	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.8	175.9	-69.3	168.1	0	0	0	107.7	F651 M662 F664 F685 Y690 Q713	F651-I715 HydrophobicContact CE1-CD1 3.95Å; M662-I715 HydrophobicContact CG-CB 3.96Å; M662-I715 HydrophobicContact CG-CG2 4.09Å; M662-I715 WeakPolarHBondContact CG-O 3.49Å; M662-I715 PolarHBondContact N-O 3.42Å; M662-I715 PolarHBondContact O-N 2.77Å; M662-I715 HydrophobicContact SD-CG2 4.16Å; F664-I715 HydrophobicContact CB-CD1 3.91Å; F685-I715 HydrophobicContact CE1-CD1 4.17Å; F685-I715 HydrophobicContact CE2-CD1 4.05Å; F685-I715 HydrophobicContact CZ-CD1 3.67Å; Y690-I715 HydrophobicContact CD1-CG2 3.57Å; Y690-I715 HydrophobicContact CE1-CG2 3.71Å; Y690-I715 HydrophobicContact CG-CG2 4.21Å; Q713-I715 HydrophobicContact CG-CG1 4.24Å
716	C	77.8	Confident	76	Confident	60 Å²	60	76.8 Å²	76.8	41%	0.405	42%	0.42	S	S	.	.			trans	-114.5	113.9	176	-58.9	0	0	0	0	109.7	R718	C716-R718 PolarHBondContact O-N 3.4Å
717	P	75.4	Confident	75.3	Confident	14 Å²	14	78.4 Å²	78.4	9%	0.091	41%	0.414	C	S	.	.			trans	-60.8	129.3	175.1	-22.7	34.5	0	0	0	111.5	A656 G659 T660 M662 Y690	A656-P717 HydrophobicContact CB-CG 3.95Å; G659-P717 PolarHBondContact N-O 3.15Å; T660-P717 WeakPolarHBondContact O-CD 3.5Å; M662-P717 HydrophobicContact CG-CG 4.37Å; M662-P717 HydrophobicContact SD-CG 3.75Å; Y690-P717 WeakPolarHBondContact OH-CA 3.45Å
718	R	76.3	Confident	74.3	Confident	141 Å²	141	75.3 Å²	75.3	53%	0.532	40%	0.4	S	S	.	.			trans	-90.2	155.7	178.3	-65.9	-175.5	-179.7	176	0.4	110.4	Y690 C716 E720 H721	Y690-R718 PolarHBondContact OH-N 2.75Å; C716-R718 PolarHBondContact O-N 3.4Å; R718-E720 PolarHBondContact O-N 2.87Å; R718-E720 VanDerWaalsContact O-N 3.13Å; R718-H721 PolarHBondContact O-N 3.39Å
719	A	73.9	Confident	72.8	Confident	77 Å²	77	71.4 Å²	71.4	64%	0.636	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.6	178.4	0	0	0	0	0	113.2	V658 H721 V722	V658-A719 HydrophobicContact CG1-CB 4.04Å; A719-H721 PolarHBondContact O-N 2.82Å; A719-V722 WeakPolarHBondContact O-CG2 3.44Å
720	E	74.3	Confident	70.9	Confident	155 Å²	155	76.3 Å²	76.3	72%	0.724	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14	176.4	-62.2	168.2	-153.8	0	0	113.6	R718	R718-E720 PolarHBondContact O-N 2.87Å; R718-E720 VanDerWaalsContact O-N 3.13Å
721	H	67.9	Low	68.9	Low	27 Å²	27	81.4 Å²	81.4	13%	0.125	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-112.6	18.5	-172.9	-53.4	151.5	0	0	0	114	N687 S689 Y690 R718 A719 N723 L724	N687-H721 PolarHBondContact ND2-CD2 3.2Å; N687-H721 PolarHBondContact ND2-CE1 3.09Å; N687-H721 PolarHBondContact ND2-NE2 2.86Å; S689-H721 PolarHBondContact OG-CE1 3.42Å; Y690-H721 AromaticContact CE2-CE1 3.94Å; Y690-H721 AromaticContact CE2-ND1 3.5Å; Y690-H721 AromaticContact CZ-CE1 3.92Å; Y690-H721 AromaticContact CZ-ND1 3.39Å; Y690-H721 PolarHBondContact OH-ND1 3.45Å; R718-H721 PolarHBondContact O-N 3.39Å; A719-H721 PolarHBondContact O-N 2.82Å; H721-N723 PolarHBondContact O-N 2.8Å; H721-L724 HydrophobicContact CB-CB 4.5Å; H721-L724 HydrophobicContact CB-CD1 4.02Å; H721-L724 PolarHBondContact O-N 3.35Å
722	V	68.7	Low	66.7	Low	84 Å²	84	81.6 Å²	81.6	51%	0.509	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	132.7	175	177.5	0	0	0	0	109.8	V658 A719 L724	V658-V722 HydrophobicContact CG2-CG2 3.35Å; A719-V722 WeakPolarHBondContact O-CG2 3.44Å; V722-L724 PolarHBondContact O-N 2.93Å
723	N	70.3	Confident	64.6	Low	165 Å²	165	82.5 Å²	82.5	88%	0.882	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	13.9	-175.1	-53	-33.5	0	0	0	115.8	H721	H721-N723 PolarHBondContact O-N 2.8Å
724	L	72.8	Confident	62.7	Low	102 Å²	102	81.5 Å²	81.5	53%	0.534	43%	0.426	S	S	.	.			trans	-93.4	131.1	167.7	-64.2	176.9	0	0	0	109.7	H721 V722 I726	H721-L724 HydrophobicContact CB-CB 4.5Å; H721-L724 HydrophobicContact CB-CD1 4.02Å; H721-L724 PolarHBondContact O-N 3.35Å; V722-L724 PolarHBondContact O-N 2.93Å; L724-I726 PolarHBondContact O-N 3.48Å
725	E	70	Confident	60.9	Low	138 Å²	138	76.1 Å²	76.1	65%	0.645	40%	0.401	S	S	*	.			trans	-69.4	130.5	168.3	-65.1	-177.6	-177.4	0	0	109	N686 Q727	N686-E725 PolarHBondContact ND2-O 3.39Å; E725-Q727 HydrophobicContact CB-CG 4.23Å; E725-Q727 PolarHBondContact OE2-NE2 2.92Å
726	I	67.2	Low	59.1	Low	35 Å²	35	76.2 Å²	76.2	18%	0.179	40%	0.402	C	S	.	.			trans	-95.4	99.4	169.8	-57.7	174.1	0	0	0	106.8	F651 M662 F685 Y690 L724	F651-I726 WeakPolarHBondContact CE2-O 3.4Å; F651-I726 HydrophobicContact CZ-CG2 3.96Å; M662-I726 HydrophobicContact SD-CD1 4.35Å; F685-I726 HydrophobicContact CD1-CG2 4.11Å; Y690-I726 HydrophobicContact CD2-CD1 4.22Å; Y690-I726 HydrophobicContact CD2-CG1 4.45Å; Y690-I726 HydrophobicContact CD2-CG2 4.21Å; Y690-I726 HydrophobicContact CE2-CD1 3.67Å; Y690-I726 HydrophobicContact CE2-CG1 4.08Å; L724-I726 PolarHBondContact O-N 3.48Å
727	Q	65.8	Low	57.4	Low	82 Å²	82	75.2 Å²	75.2	38%	0.383	39%	0.39	S	S	.	.			trans	-108.2	147.8	174.2	-59.8	-170.2	3.3	0	0	109.4	N686 E725 C729	N686-Q727 VanDerWaalsContact CG-O 3.31Å; N686-Q727 PolarHBondContact N-O 2.87Å; N686-Q727 PolarHBondContact ND2-N 3.05Å; N686-Q727 PolarHBondContact OD1-N 3.37Å; N686-Q727 PolarHBondContact OD1-O 2.93Å; E725-Q727 HydrophobicContact CB-CG 4.23Å; E725-Q727 PolarHBondContact OE2-NE2 2.92Å; Q727-C729 PolarHBondContact O-N 3.31Å
728	V	63.6	Low	55.8	Low	26 Å²	26	75 Å²	75	16%	0.158	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-58.3	127.3	157	-173.2	0	0	0	0	105.6	F664 K684 F685 D730	F664-V728 HydrophobicContact CE2-CG2 3.88Å; F664-V728 HydrophobicContact CZ-CG2 3.69Å; K684-V728 WeakPolarHBondContact O-CG1 3.41Å; F685-V728 HydrophobicContact CD1-CG2 4.25Å; F685-V728 HydrophobicContact CE1-CG2 4.02Å; V728-D730 PolarHBondContact O-N 3.47Å
729	C	51	Low	53.9	Low	31 Å²	31	71.2 Å²	71.2	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-39.2	134.7	-172.1	-74.5	0	0	0	0	111.7	K684 F685 N686 Q727 H731 G732 K733	K684-C729 PolarHBondContact O-N 2.87Å; K684-C729 VanDerWaalsContact O-N 3.14Å; F685-C729 PolarHBondContact O-SG 3.19Å; N686-C729 PolarHBondContact N-SG 3.38Å; Q727-C729 PolarHBondContact O-N 3.31Å; C729-H731 CarbonylContact O-C 3.43Å; C729-H731 PolarHBondContact O-N 3.38Å; C729-G732 PolarHBondContact O-N 2.86Å; C729-K733 HydrophobicContact CB-CD 4.29Å
730	D	39.9	Very low	52	Low	130 Å²	130	68.6 Å²	68.6	70%	0.695	35%	0.351	S	S	*	.	H	α-helix	trans	-17.3	109.6	180	-73.2	-29.3	0	0	0	113.6	V728	V728-D730 PolarHBondContact O-N 3.47Å
731	H	39.1	Very low	49.8	Very low	181 Å²	181	64.2 Å²	64.2	84%	0.838	33%	0.334	S	S	*	.	H	α-helix	trans	66.4	38.3	-175.5	-53.8	-52.9	0	0	0	116.6	C729	C729-H731 CarbonylContact O-C 3.43Å; C729-H731 PolarHBondContact O-N 3.38Å
732	G	32	Very low	47.7	Very low	34 Å²	34	72.1 Å²	72.1	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	72.1	55.8	150.4	0	0	0	0	0	115.5	C729 L734	C729-G732 PolarHBondContact O-N 2.86Å; G732-L734 VanDerWaalsContact C-N 3.26Å; G732-L734 PolarHBondContact O-N 2.87Å
733	K	35.6	Very low	45.7	Very low	86 Å²	86	71.7 Å²	71.7	37%	0.374	37%	0.365	S	S	.	.			trans	-67.2	75.3	173.3	-77.6	174.9	-173.8	171.7	0	113.4	D639 K684 C729 F735	D639-K733 WeakPolarHBondContact OD1-CA 3.34Å; D639-K733 WeakPolarHBondContact OD2-CG 3.38Å; K684-K733 HydrophobicContact CB-CB 4.41Å; K684-K733 PolarHBondContact N-O 3.3Å; C729-K733 HydrophobicContact CB-CD 4.29Å; K733-F735 HydrophobicContact CB-CE2 3.82Å; K733-F735 HydrophobicContact CB-CZ 4.3Å; K733-F735 HydrophobicContact CD-CE2 4.39Å; K733-F735 HydrophobicContact CD-CZ 4.32Å; K733-F735 HydrophobicContact CG-CE2 4.25Å; K733-F735 HydrophobicContact CG-CZ 4.26Å
734	L	38.4	Very low	43.6	Very low	13 Å²	13	72.7 Å²	72.7	7%	0.068	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110.3	162.1	-93.4	145	0	0	0	108.6	M638 L647 I666 I681 V683 G732	M638-L734 WeakPolarHBondContact CB-O 3.21Å; L647-L734 HydrophobicContact CB-CD1 4.37Å; L647-L734 HydrophobicContact CD1-CB 4Å; I666-L734 HydrophobicContact CD1-CD2 4.24Å; I666-L734 HydrophobicContact CG2-CD2 3.94Å; I681-L734 HydrophobicContact CG2-CD2 4.11Å; V683-L734 HydrophobicContact CG2-CD2 3.85Å; G732-L734 VanDerWaalsContact C-N 3.26Å; G732-L734 PolarHBondContact O-N 2.87Å
735	F	39.7	Very low	41.4	Very low	13 Å²	13	74.9 Å²	74.9	6%	0.057	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.8	172.9	-63	-83.3	0	0	0	108.8	L635 P637 V682 K684 K733 F737	L635-F735 HydrophobicContact CD1-CB 3.87Å; L635-F735 HydrophobicContact CD1-CD1 3.36Å; L635-F735 HydrophobicContact CD1-CD2 4.47Å; L635-F735 HydrophobicContact CD1-CE1 3.97Å; L635-F735 HydrophobicContact CD1-CG 3.65Å; L635-F735 HydrophobicContact CD2-CD1 3.82Å; L635-F735 HydrophobicContact CD2-CE1 3.49Å; L635-F735 VanDerWaalsContact CD2-CE1 3.49Å; L635-F735 HydrophobicContact CD2-CZ 3.99Å; L635-F735 HydrophobicContact CG-CD1 3.45Å; L635-F735 VanDerWaalsContact CG-CD1 3.45Å; L635-F735 HydrophobicContact CG-CE1 3.62Å; L635-F735 HydrophobicContact CG-CG 4.24Å; P637-F735 HydrophobicContact CB-CE1 4.1Å; V682-F735 HydrophobicContact CB-CB 4.39Å; V682-F735 PolarHBondContact N-O 3.38Å; V682-F735 PolarHBondContact O-N 3.1Å; K684-F735 HydrophobicContact CD-CD2 4.33Å; K684-F735 HydrophobicContact CD-CE2 3.77Å; K684-F735 HydrophobicContact CG-CD2 4.28Å; K684-F735 HydrophobicContact CG-CE2 4.11Å; K733-F735 HydrophobicContact CB-CE2 3.82Å; K733-F735 HydrophobicContact CB-CZ 4.3Å; K733-F735 HydrophobicContact CD-CE2 4.39Å; K733-F735 HydrophobicContact CD-CZ 4.32Å; K733-F735 HydrophobicContact CG-CE2 4.25Å; K733-F735 HydrophobicContact CG-CZ 4.26Å; F735-F737 HydrophobicContact CB-CD2 4.11Å; F735-F737 HydrophobicContact CB-CE2 3.76Å
736	V	42.2	Very low	39.5	Very low	6 Å²	6	73.7 Å²	73.7	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111.8	164.7	179.9	0	0	0	0	107.3	I645 L647 L678 L738	I645-V736 HydrophobicContact CD1-CG1 4.13Å; I645-V736 HydrophobicContact CG2-CG2 4.41Å; L647-V736 HydrophobicContact CD1-CG2 3.82Å; L647-V736 HydrophobicContact CD2-CG2 3.92Å; L647-V736 HydrophobicContact CG-CG2 4.48Å; L678-V736 HydrophobicContact CD2-CG1 3.42Å; L678-V736 VanDerWaalsContact CD2-CG1 3.42Å; V736-L738 PolarHBondContact O-N 3.11Å
737	F	40.9	Very low	37.7	Very low	39 Å²	39	80.4 Å²	80.4	17%	0.171	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	106.8	173.4	-75.5	-106.6	0	0	0	108.6	L635 R680 V682 F735 F739	L635-F737 HydrophobicContact CD1-CD2 4.48Å; L635-F737 HydrophobicContact CD1-CE1 3.77Å; L635-F737 HydrophobicContact CD1-CE2 3.6Å; L635-F737 HydrophobicContact CD1-CZ 3.23Å; R680-F737 HydrophobicContact CB-CB 3.8Å; R680-F737 HydrophobicContact CB-CG 4.37Å; R680-F737 HydrophobicContact CG-CB 4.42Å; R680-F737 HydrophobicContact CG-CD2 4.44Å; R680-F737 HydrophobicContact CG-CG 4.49Å; R680-F737 PolarHBondContact N-O 3.04Å; R680-F737 WeakPolarHBondContact O-CA 3.38Å; R680-F737 VanDerWaalsContact O-CB 3.31Å; R680-F737 WeakPolarHBondContact O-CB 3.36Å; R680-F737 PolarHBondContact O-N 3.24Å; V682-F737 HydrophobicContact CB-CD2 4.09Å; V682-F737 HydrophobicContact CB-CE2 3.55Å; V682-F737 HydrophobicContact CG1-CE2 4.46Å; V682-F737 HydrophobicContact CG2-CD2 3.52Å; V682-F737 HydrophobicContact CG2-CE2 3.11Å; V682-F737 HydrophobicContact CG2-CZ 3.93Å; F735-F737 HydrophobicContact CB-CD2 4.11Å; F735-F737 HydrophobicContact CB-CE2 3.76Å; F737-F739 PolarHBondContact O-N 2.83Å
738	L	41.4	Very low	35.7	Very low	11 Å²	11	85.2 Å²	85.2	6%	0.058	43%	0.427	C	S	.	.			trans	-83.7	103.3	159.3	-61	169.5	0	0	0	106.1	I572 L576 L601 M676 L678 V736	I572-L738 HydrophobicContact CG2-CD1 4.4Å; L576-L738 HydrophobicContact CD1-CD1 4.48Å; L576-L738 HydrophobicContact CD2-CD1 4.31Å; L601-L738 HydrophobicContact CD1-CD1 4.39Å; L601-L738 HydrophobicContact CD2-CB 3.71Å; L601-L738 HydrophobicContact CD2-CD1 4.35Å; M676-L738 HydrophobicContact CG-CD2 4.2Å; M676-L738 HydrophobicContact SD-CD1 4.26Å; M676-L738 HydrophobicContact SD-CD2 3.76Å; L678-L738 HydrophobicContact CD2-CD2 4.46Å; V736-L738 PolarHBondContact O-N 3.11Å
739	F	37.2	Very low	33.9	Very low	61 Å²	61	92.3 Å²	92.3	27%	0.268	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-73.1	149	-174.4	-132.5	-108.4	0	0	0	111.9	F633 F679 F737	F633-F739 HydrophobicContact CD1-CD2 4.42Å; F633-F739 HydrophobicContact CD1-CE1 4.27Å; F633-F739 AromaticContact CD1-CE2 3.99Å; F633-F739 HydrophobicContact CD1-CE2 3.99Å; F633-F739 AromaticContact CD1-CZ 3.93Å; F633-F739 HydrophobicContact CD1-CZ 3.93Å; F633-F739 HydrophobicContact CE1-CD1 4.06Å; F633-F739 HydrophobicContact CE1-CD2 4.37Å; F633-F739 AromaticContact CE1-CE1 3.38Å; F633-F739 HydrophobicContact CE1-CE1 3.38Å; F633-F739 AromaticContact CE1-CE2 3.72Å; F633-F739 HydrophobicContact CE1-CE2 3.72Å; F633-F739 AromaticContact CE1-CZ 3.17Å; F633-F739 HydrophobicContact CE1-CZ 3.17Å; F633-F739 HydrophobicContact CZ-CE1 4.18Å; F633-F739 AromaticContact CZ-CZ 3.93Å; F633-F739 HydrophobicContact CZ-CZ 3.93Å; F679-F739 HydrophobicContact CB-CB 3.5Å; F679-F739 HydrophobicContact CB-CD2 4.37Å; F679-F739 HydrophobicContact CB-CG 4.24Å; F679-F739 HydrophobicContact CD1-CB 3.83Å; F679-F739 HydrophobicContact CD2-CB 3.71Å; F679-F739 HydrophobicContact CE1-CB 4.39Å; F679-F739 HydrophobicContact CE2-CB 4.3Å; F679-F739 HydrophobicContact CG-CB 3.42Å; F679-F739 VanDerWaalsContact CG-CB 3.42Å; F679-F739 HydrophobicContact CG-CG 4.46Å; F737-F739 PolarHBondContact O-N 2.83Å
740	F	34.8	Very low	32.7	Very low	22 Å²	22	98.6 Å²	98.6	10%	0.096	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-97.2	155.2	169.1	-75.8	-86.7	0	0	0	111.1	L568 I572 V600	L568-F740 HydrophobicContact CD1-CE1 3.66Å; L568-F740 HydrophobicContact CD1-CZ 3.45Å; L568-F740 VanDerWaalsContact CD1-CZ 3.45Å; L568-F740 HydrophobicContact CD2-CD1 4.44Å; L568-F740 HydrophobicContact CD2-CD2 4.41Å; L568-F740 HydrophobicContact CD2-CE1 3.8Å; L568-F740 HydrophobicContact CD2-CE2 3.76Å; L568-F740 HydrophobicContact CD2-CZ 3.41Å; L568-F740 VanDerWaalsContact CD2-CZ 3.41Å; L568-F740 HydrophobicContact CG-CE1 4.09Å; L568-F740 HydrophobicContact CG-CE2 4.13Å; L568-F740 HydrophobicContact CG-CZ 3.49Å; L568-F740 VanDerWaalsContact CG-CZ 3.49Å; I572-F740 HydrophobicContact CD1-CE2 3.8Å; I572-F740 HydrophobicContact CD1-CZ 3.47Å; I572-F740 VanDerWaalsContact CD1-CZ 3.47Å; V600-F740 HydrophobicContact CG1-CE1 4.21Å; V600-F740 HydrophobicContact CG1-CZ 4.37Å; V600-F740 WeakPolarHBondContact O-CE1 3.32Å
741	V	26.5	Very low	31.9	Very low	62 Å²	62	96.9 Å²	96.9	38%	0.376	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-48.1	134.2	-166.8	174	0	0	0	0	117.4	A603	A603-V741 HydrophobicContact CB-CB 4.29Å; A603-V741 HydrophobicContact CB-CG2 3.61Å
742	Y	23.9	Very low	31.3	Very low	193 Å²	193	93.1 Å²	93.1	76%	0.757	49%	0.491	S	S	*	.			trans	12.8	114.9	151.2	-91.7	-98.5	0	0	0	118.8	K631	K631-Y742 VanDerWaalsContact CE-O 3.26Å; K631-Y742 WeakPolarHBondContact CE-O 3.24Å; K631-Y742 PolarHBondContact NZ-O 3.22Å
743	S	26.8	Very low	30.7	Very low	75 Å²	75	99 Å²	99	52%	0.524	51%	0.51	S	S	.	.				-146.8	128.1	127.6	56.9	0	0	0	0	109.8	L745	S743-L745 PolarHBondContact O-N 3.08Å
744	Q	26.7	Very low	29.9	Very low	187 Å²	187	105.9 Å²	105.9	87%	0.874	53%	0.533	S	S	*	.			trans	-58	98.6	165.2	-70.4	-169.2	-19.8	0	0	109.1
745	L	26.3	Very low	29.3	Very low	148 Å²	148	113.7 Å²	113.7	78%	0.775	57%	0.573	S	S	*	*			trans	-144.7	125.4	158.5	-98.6	154.5	0	0	0	106.4	S743	S743-L745 PolarHBondContact O-N 3.08Å
746	P	30.8	Very low	28.3	Very low	113 Å²	113	119.8 Å²	119.8	73%	0.734	61%	0.606	S	S	*	*			trans	-72.4	136.3	-175.1	29.4	-31.1	0	0	0	110.2	Q748	P746-Q748 PolarHBondContact O-N 2.84Å
747	Y	28.3	Very low	27.3	Very low	175 Å²	175	127.3 Å²	127.3	69%	0.686	64%	0.643	S	S	*	*			trans	-11.4	108.8	167.3	-62.1	-92.5	0	0	0	116	D697	D697-Y747 PolarHBondContact OD2-OH 3.01Å
748	Q	24.9	Very low	26.4	Very low	184 Å²	184	131.5 Å²	131.5	86%	0.86	68%	0.675	S	S	*	*			trans	-112.3	119.6	148.4	-82.1	-170.4	-19.5	0	0	108.3	P746 I750	P746-Q748 PolarHBondContact O-N 2.84Å; Q748-I750 PolarHBondContact O-N 2.88Å; Q748-I750 VanDerWaalsContact O-N 3.14Å
749	L	25.4	Very low	25.8	Very low	175 Å²	175	143.9 Å²	143.9	92%	0.916	74%	0.736	S	S	*	*			trans	-55.3	113.8	172.6	-84.5	107.4	0	0	0	109.5	S751	L749-S751 PolarHBondContact O-N 3.44Å
750	I	25.7	Very low	25.2	Very low	162 Å²	162	148 Å²	148	83%	0.831	76%	0.759	S	S	*	*			trans	-82	99.2	163.9	-61	175.1	0	0	0	106.7	Q748 A752	Q748-I750 PolarHBondContact O-N 2.88Å; Q748-I750 VanDerWaalsContact O-N 3.14Å; I750-A752 PolarHBondContact O-N 2.68Å
751	S	22.7	Very low	24.7	Very low	95 Å²	95	154.6 Å²	154.6	66%	0.664	79%	0.794	S	S	*	*			trans	-60.3	106.8	163.5	51.1	0	0	0	0	109.2	L749 E753	L749-S751 PolarHBondContact O-N 3.44Å; S751-E753 VanDerWaalsContact C-N 3.31Å; S751-E753 PolarHBondContact O-N 3.35Å; S751-E753 VanDerWaalsContact O-N 3.08Å
752	A	26.6	Very low	24.6	Very low	102 Å²	102	159.8 Å²	159.8	84%	0.843	82%	0.817	S	S	*	*			trans	-79.3	85.9	168.4	0	0	0	0	0	108.7	I750	I750-A752 PolarHBondContact O-N 2.68Å
753	E	19.8	Very low	24.7	Very low	158 Å²	158	157.8 Å²	157.8	74%	0.738	82%	0.821	S	S	*	*			trans	-66.3	137.2	164.2	-70.6	-171.3	153.7	0	0	110.4	S751	S751-E753 VanDerWaalsContact C-N 3.31Å; S751-E753 PolarHBondContact O-N 3.35Å; S751-E753 VanDerWaalsContact O-N 3.08Å
754	R	19.7	Very low	24.5	Very low	229 Å²	229	163 Å²	163	86%	0.864	84%	0.84	S	S	*	*			trans	63.3	117.7	160.1	-65.3	174.3	173.4	-178.6	-0.9	116.9
755	I	24.6	Very low	24.4	Very low	177 Å²	177	161.4 Å²	161.4	91%	0.908	84%	0.837	S	S	*	*				-152.2	133.9	126.2	-91.1	138.2	0	0	0	109.3
756	L	19.4	Very low	24.2	Very low	141 Å²	141	162.4 Å²	162.4	74%	0.738	84%	0.842	S	S	*	*			trans	-58.4	152.9	-179.7	-117.6	84.4	0	0	0	115.1
757	M	21	Very low	23.7	Very low	165 Å²	165	166.2 Å²	166.2	81%	0.813	85%	0.85	S	S	*	*			trans	41.4	119.9	139.8	-68.7	-168.8	179.4	0	0	119.9
758	C	22	Very low	23.4	Very low	127 Å²	127	165.4 Å²	165.4	86%	0.858	86%	0.864	S	S	*	*				-172.5	152	96.5	-92.7	0	0	0	0	109.4
759	M	28.5	Very low	23.2	Very low	270 Å²	270	163.7 Å²	163.7	100%	1.33	86%	0.864	S	S	*	*			trans	-28.4	0	-172.8	-63.7	-174.8	-147	0	0	116.7

Retrieved 759 of 759 residues in 173 ms (Link to these results)

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