A0A077Z7Q5_TRITR Loading...

Thyroglobulin type 1 repeat containing

AlphaFold DB , UniProt , Accession A0A077Z7Q5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 586 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	36.2	Very low	240 Å²	240	152.4 Å²	152.4	100%	1.182	84%	0.838	S	S	*	*				0	140.7	0	-70.6	-159.3	-86.9	0	0	108.3
2	M	38	Very low	38.1	Very low	192 Å²	192	147.9 Å²	147.9	95%	0.946	83%	0.826	S	S	*	*			trans	89.7	105.5	179	-54.9	-171	176.3	0	0	117.5
3	V	38.7	Very low	40.3	Very low	139 Å²	139	139.2 Å²	139.2	84%	0.842	78%	0.78	S	S	*	*			trans	-92	148.1	160.9	-178.2	0	0	0	0	107.7
4	P	38.2	Very low	42.6	Very low	111 Å²	111	133.9 Å²	133.9	72%	0.721	75%	0.749	S	S	*	*				-146.1	131.4	121.7	27.2	-6.3	0	0	0	116.8
5	L	30.4	Very low	44.1	Very low	143 Å²	143	127.9 Å²	127.9	75%	0.749	72%	0.717	S	S	*	*			trans	55.2	89.2	134.3	-78.6	106.9	0	0	0	121.1
6	L	29.7	Very low	45.4	Very low	177 Å²	177	133.1 Å²	133.1	93%	0.927	72%	0.722	S	S	*	*			trans	-90.6	99	136.5	-93.5	148.2	0	0	0	108.2
7	Q	31.3	Very low	46.8	Very low	152 Å²	152	130.9 Å²	130.9	71%	0.71	71%	0.714	S	S	*	*			trans	-166.5	105	164.6	-114.7	159.3	-13.3	0	0	111.8
8	A	37.4	Very low	48	Very low	109 Å²	109	126.8 Å²	126.8	90%	0.901	69%	0.691	S	S	*	*			trans	-153.2	84	150.8	0	0	0	0	0	108.1
9	M	32.1	Very low	49.4	Very low	141 Å²	141	120.5 Å²	120.5	70%	0.695	66%	0.657	S	S	*	*			trans	-68.6	153.5	179.3	-60.4	-176	72.7	0	0	112.4	Q11	M9-Q11 PolarHBondContact O-N 3.26Å
10	S	38	Very low	50.4	Low	117 Å²	117	117.5 Å²	117.5	82%	0.818	64%	0.643	S	S	*	*			trans	-38.5	97.7	162.1	44.9	0	0	0	0	113.1
11	Q	50.5	Low	51.1	Low	155 Å²	155	116.8 Å²	116.8	72%	0.724	65%	0.647	S	S	*	*			trans	-99.6	118	166.3	-73.3	-177.5	11.5	0	0	108.4	M9	M9-Q11 PolarHBondContact O-N 3.26Å
12	S	58.9	Low	52.5	Low	99 Å²	99	110.3 Å²	110.3	69%	0.692	63%	0.626	S	S	*	*			trans	-48.8	147.1	166.8	86.2	0	0	0	0	109.6	D14	S12-D14 PolarHBondContact O-N 3.26Å
13	C	67	Low	53.5	Low	35 Å²	35	103.6 Å²	103.6	24%	0.236	60%	0.598	C	S	.	*			trans	-70.8	63.4	-176.5	-166.4	0	0	0	0	112.8	T15 C48	C13-T15 PolarHBondContact O-N 3.3Å; C13-C48 WeakPolarHBondContact CA-SG 3.43Å; C13-C48 HydrophobicContact CB-CB 4.39Å; C13-C48 WeakPolarHBondContact CB-SG 3.44Å; C13-C48 WeakPolarHBondContact SG-CB 3.3Å; C13-C48 PolarHBondContact SG-O 3.18Å; C13-C48 CovalentContact SG-SG 2.01Å; C13-C48 PolarHBondContact SG-SG 3.38Å
14	D	71.9	Confident	54.5	Low	65 Å²	65	102.4 Å²	102.4	35%	0.348	58%	0.584	S	S	.	*			trans	-83.2	101.8	177.6	-169.2	-11	0	0	0	110.3	S12 R16 V17 L18	S12-D14 PolarHBondContact O-N 3.26Å; D14-R16 PolarHBondContact O-N 3.34Å; D14-R16 VanDerWaalsContact O-N 3.13Å; D14-R16 WeakPolarHBondContact OD1-CB 3.23Å; D14-R16 PolarHBondContact OD1-N 3.2Å; D14-V17 HydrophobicContact CB-CB 4.31Å; D14-V17 HydrophobicContact CB-CG2 4Å; D14-V17 PolarHBondContact O-N 3.43Å; D14-L18 WeakPolarHBondContact O-CG 3.19Å; D14-L18 PolarHBondContact O-N 3.02Å
15	T	64.7	Low	55.8	Low	43 Å²	43	101.9 Å²	101.9	26%	0.264	58%	0.579	S	S	.	*	H	α-helix	trans	-58.1	-22.3	176.8	56.1	0	0	0	0	115	C13 C19 R45 Y49	C13-T15 PolarHBondContact O-N 3.3Å; T15-C19 PolarHBondContact O-N 3.27Å; T15-R45 HydrophobicContact CG2-CG 4.17Å; T15-Y49 HydrophobicContact CG2-CE2 3.94Å; T15-Y49 WeakPolarHBondContact CG2-OH 3.33Å
16	R	65.7	Low	58	Low	212 Å²	212	100.6 Å²	100.6	80%	0.8	58%	0.576	S	S	*	*	H	α-helix	trans	-74.4	-31.6	176.8	-62	-179.3	179.2	-178.9	0.8	111.5	D14	D14-R16 PolarHBondContact O-N 3.34Å; D14-R16 VanDerWaalsContact O-N 3.13Å; D14-R16 WeakPolarHBondContact OD1-CB 3.23Å; D14-R16 PolarHBondContact OD1-N 3.2Å
17	V	69.2	Low	60.5	Low	95 Å²	95	95 Å²	95	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-83.5	-40.8	178.5	-178.6	0	0	0	0	111.1	D14 C19	D14-V17 HydrophobicContact CB-CB 4.31Å; D14-V17 HydrophobicContact CB-CG2 4Å; D14-V17 PolarHBondContact O-N 3.43Å; V17-C19 PolarHBondContact O-N 3.06Å
18	L	69	Low	63.1	Low	57 Å²	57	89.7 Å²	89.7	30%	0.298	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-26	-178	-69.7	165.6	0	0	0	113.8	D14 C48	D14-L18 WeakPolarHBondContact O-CG 3.19Å; D14-L18 PolarHBondContact O-N 3.02Å; L18-C48 HydrophobicContact CD1-CB 3.84Å; L18-C48 WeakPolarHBondContact CD1-SG 3.24Å
19	C	73.5	Confident	65.6	Low	7 Å²	7	84.5 Å²	84.5	5%	0.047	48%	0.483	C	S	.	.	S	Bend	trans	-144.4	74.9	-171.4	-76.7	0	0	0	0	111.3	T15 V17 C41	T15-C19 PolarHBondContact O-N 3.27Å; V17-C19 PolarHBondContact O-N 3.06Å; C19-C41 HydrophobicContact CB-CB 4.11Å; C19-C41 WeakPolarHBondContact CB-SG 3.27Å; C19-C41 VanDerWaalsContact SG-C 3.53Å; C19-C41 WeakPolarHBondContact SG-CA 3.5Å; C19-C41 WeakPolarHBondContact SG-CB 3.31Å; C19-C41 PolarHBondContact SG-O 3.37Å; C19-C41 CovalentContact SG-SG 2.01Å; C19-C41 PolarHBondContact SG-SG 3.15Å
20	P	69.7	Low	68.4	Low	60 Å²	60	77.9 Å²	77.9	39%	0.39	45%	0.451	S	S	.	.			trans	-61.6	150.2	173.3	19.4	-23.6	0	0	0	110.4	S22 S23	P20-S22 PolarHBondContact O-N 3.29Å; P20-S23 WeakPolarHBondContact CD-OG 3.46Å; P20-S23 WeakPolarHBondContact CG-OG 3.29Å; P20-S23 WeakPolarHBondContact O-CA 3.44Å; P20-S23 VanDerWaalsContact O-CB 3.23Å; P20-S23 WeakPolarHBondContact O-CB 3.28Å; P20-S23 PolarHBondContact O-N 2.66Å; P20-S23 PolarHBondContact O-OG 2.81Å
21	S	65.4	Low	70.7	Confident	104 Å²	104	72.3 Å²	72.3	73%	0.727	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-54.5	-28.6	-174.2	-52.4	0	0	0	0	113.8	S23 M24	S21-S23 PolarHBondContact O-N 3.17Å; S21-M24 PolarHBondContact O-N 2.8Å
22	S	63.2	Low	72.5	Confident	104 Å²	104	67.1 Å²	67.1	73%	0.727	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-65	-18.7	174.1	57.1	0	0	0	0	114.1	P20	P20-S22 PolarHBondContact O-N 3.29Å
23	S	59	Low	73.7	Confident	51 Å²	51	62.9 Å²	62.9	36%	0.357	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-90.5	-0.7	-179.8	-45.3	0	0	0	0	113.4	P20 S21 V25	P20-S23 WeakPolarHBondContact CD-OG 3.46Å; P20-S23 WeakPolarHBondContact CG-OG 3.29Å; P20-S23 WeakPolarHBondContact O-CA 3.44Å; P20-S23 VanDerWaalsContact O-CB 3.23Å; P20-S23 WeakPolarHBondContact O-CB 3.28Å; P20-S23 PolarHBondContact O-N 2.66Å; P20-S23 PolarHBondContact O-OG 2.81Å; S21-S23 PolarHBondContact O-N 3.17Å; S23-V25 PolarHBondContact O-N 3.36Å
24	M	58.6	Low	74.4	Confident	114 Å²	114	61.2 Å²	61.2	56%	0.562	35%	0.351	S	S	*	.			trans	-83.4	40.7	-177.7	-62.1	-162.6	-177.3	0	0	112.8	S21 V26	S21-M24 PolarHBondContact O-N 2.8Å; M24-V26 PolarHBondContact O-N 2.88Å
25	V	67.1	Low	74.9	Confident	100 Å²	100	63.2 Å²	63.2	61%	0.606	35%	0.354	S	S	*	.			trans	-70.1	127.5	168.4	-176.5	0	0	0	0	107.7	S23 D27 S39	S23-V25 PolarHBondContact O-N 3.36Å; V25-D27 VanDerWaalsContact C-N 3.33Å; V25-D27 PolarHBondContact O-N 2.96Å; V25-S39 WeakPolarHBondContact O-CB 3.39Å
26	V	77	Confident	75.9	Confident	115 Å²	115	63.2 Å²	63.2	70%	0.697	35%	0.354	S	S	*	.			trans	-73	91.8	175.4	-177.1	0	0	0	0	107.9	M24 P28	M24-V26 PolarHBondContact O-N 2.88Å; V26-P28 HydrophobicContact CG1-CG 4.32Å
27	D	81.7	Confident	76.7	Confident	60 Å²	60	53.2 Å²	53.2	32%	0.321	32%	0.316	S	S	.	.			trans	-124.6	86.7	173.2	-176	18	0	0	0	107.5	V25 V29 N38 S39 R58	V25-D27 VanDerWaalsContact C-N 3.33Å; V25-D27 PolarHBondContact O-N 2.96Å; D27-V29 PolarHBondContact O-N 3.28Å; D27-N38 CarbonylContact C-O 3.43Å; D27-N38 PolarHBondContact N-O 3.42Å; D27-S39 WeakPolarHBondContact O-CA 3.48Å; D27-R58 IonicContact OD2-NH1 3.18Å; D27-R58 PolarHBondContact OD2-NH1 3.32Å
28	P	86.3	Confident	77.3	Confident	40 Å²	40	53.3 Å²	53.3	26%	0.26	31%	0.314	S	S	.	.			trans	-59.7	138.7	-172	-24.5	34.2	0	0	0	111.9	V26 T36 Y37 G59	V26-P28 HydrophobicContact CG1-CG 4.32Å; P28-T36 HydrophobicContact CB-CG2 4.08Å; P28-Y37 CarbonylContact C-O 3.43Å; P28-Y37 WeakPolarHBondContact CA-O 3.37Å; P28-G59 CarbonylContact O-C 3.51Å; P28-G59 WeakPolarHBondContact O-CA 3.32Å; P28-G59 PolarHBondContact O-N 3.01Å
29	V	89.2	Confident	78.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.4	176.2	-63.5	0	0	0	0	110.8	D27 Y37 L40 V43 V55 G59	D27-V29 PolarHBondContact O-N 3.28Å; V29-Y37 PolarHBondContact N-O 2.78Å; V29-Y37 PolarHBondContact O-N 2.91Å; V29-L40 HydrophobicContact CG1-CD2 4.04Å; V29-L40 HydrophobicContact CG1-CG 4.26Å; V29-L40 HydrophobicContact CG2-CD2 4.35Å; V29-V43 HydrophobicContact CG2-CG2 3.61Å; V29-V55 HydrophobicContact CB-CG1 4.05Å; V29-V55 HydrophobicContact CG1-CG1 4.41Å; V29-V55 HydrophobicContact CG2-CG2 4.36Å; V29-G59 CarbonylContact C-O 3.49Å; V29-G59 VanDerWaalsContact C-O 3.24Å; V29-G59 WeakPolarHBondContact CA-O 3.38Å
30	C	89.9	Confident	78.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.5	175.6	-175.7	0	0	0	0	109.7	K56 Y57 G59 C61	C30-K56 PolarHBondContact O-N 3Å; C30-Y57 HydrophobicContact CB-CD1 4.22Å; C30-Y57 HydrophobicContact CB-CD2 3.75Å; C30-Y57 HydrophobicContact CB-CE1 3.97Å; C30-Y57 HydrophobicContact CB-CE2 3.48Å; C30-Y57 VanDerWaalsContact CB-CE2 3.48Å; C30-Y57 HydrophobicContact CB-CG 4.12Å; C30-Y57 PolarHBondContact N-O 3.39Å; C30-Y57 VanDerWaalsContact SG-CZ 3.6Å; C30-G59 PolarHBondContact N-O 2.79Å; C30-C61 WeakPolarHBondContact CA-SG 3.38Å; C30-C61 HydrophobicContact CB-CB 4Å; C30-C61 WeakPolarHBondContact CB-SG 3.25Å; C30-C61 WeakPolarHBondContact SG-CA 3.46Å; C30-C61 WeakPolarHBondContact SG-CB 3.2Å; C30-C61 CovalentContact SG-SG 2.04Å; C30-C61 PolarHBondContact SG-SG 2.73Å
31	G	88	Confident	79.5	Confident	1 Å²	1	52 Å²	52	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	163.2	174.2	0	0	0	0	0	113.4	D33 G34 R35 K54	G31-D33 WeakPolarHBondContact CA-OD1 3.27Å; G31-D33 PolarHBondContact O-N 3.34Å; G31-G34 PolarHBondContact O-N 3.18Å; G31-G34 VanDerWaalsContact O-N 3.07Å; G31-R35 PolarHBondContact N-O 3.31Å; G31-K54 CarbonylContact C-O 3.33Å; G31-K54 WeakPolarHBondContact CA-O 3.34Å
32	S	88	Confident	80.4	Confident	45 Å²	45	48.3 Å²	48.3	32%	0.315	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.7	173.1	58.8	0	0	0	0	113.1	G34 K54	S32-G34 VanDerWaalsContact C-N 3.29Å; S32-K54 WeakPolarHBondContact CB-O 3.47Å; S32-K54 PolarHBondContact N-O 3.43Å; S32-K54 PolarHBondContact OG-N 3.36Å; S32-K54 PolarHBondContact OG-O 3.34Å
33	D	82.6	Confident	81.5	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.053	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.5	173.4	64.6	-16.8	0	0	0	113.3	G31 R35 Y37 V53 E70 F73	G31-D33 WeakPolarHBondContact CA-OD1 3.27Å; G31-D33 PolarHBondContact O-N 3.34Å; D33-R35 PolarHBondContact O-N 3.43Å; D33-R35 PolarHBondContact OD1-N 2.94Å; D33-R35 VanDerWaalsContact OD1-N 3.1Å; D33-R35 WeakPolarHBondContact OD2-CB 3.37Å; D33-Y37 WeakPolarHBondContact OD1-CE2 3.19Å; D33-Y37 PolarHBondContact OD2-OH 3Å; D33-V53 HydrophobicContact CB-CG2 4.3Å; D33-E70 WeakPolarHBondContact O-CA 3.36Å; D33-E70 PolarHBondContact O-N 3.15Å; D33-F73 HydrophobicContact CB-CB 4.19Å; D33-F73 HydrophobicContact CB-CD1 3.72Å; D33-F73 HydrophobicContact CB-CD2 4.04Å; D33-F73 HydrophobicContact CB-CE1 4.07Å; D33-F73 HydrophobicContact CB-CE2 4.36Å; D33-F73 HydrophobicContact CB-CG 3.71Å; D33-F73 HydrophobicContact CB-CZ 4.37Å
34	G	82.8	Confident	82.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	25%	0.253	C	S	.	.	S	Bend	trans	75.6	5.4	-177.6	0	0	0	0	0	114.3	G31 S32 C61 R66	G31-G34 PolarHBondContact O-N 3.18Å; G31-G34 VanDerWaalsContact O-N 3.07Å; S32-G34 VanDerWaalsContact C-N 3.29Å; G34-C61 PolarHBondContact O-SG 3.25Å; G34-R66 WeakPolarHBondContact O-CD 3.26Å; G34-R66 WeakPolarHBondContact O-CG 3.24Å; G34-R66 PolarHBondContact O-NE 3.34Å
35	R	82.9	Confident	83.9	Confident	107 Å²	107	45.7 Å²	45.7	40%	0.404	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-90	138.4	176.6	-176.2	172.2	170.4	170.7	-6.4	111	G31 D33 Y37 E42 C61	G31-R35 PolarHBondContact N-O 3.31Å; D33-R35 PolarHBondContact O-N 3.43Å; D33-R35 PolarHBondContact OD1-N 2.94Å; D33-R35 VanDerWaalsContact OD1-N 3.1Å; D33-R35 WeakPolarHBondContact OD2-CB 3.37Å; R35-Y37 HydrophobicContact CB-CE2 3.97Å; R35-Y37 HydrophobicContact CG-CE1 4.37Å; R35-Y37 HydrophobicContact CG-CE2 4.31Å; R35-Y37 WeakPolarHBondContact O-CD2 3.33Å; R35-E42 IonicContact NH2-OE1 2.89Å; R35-C61 PolarHBondContact O-SG 3.07Å
36	T	84.5	Confident	84.6	Confident	42 Å²	42	42.1 Å²	42.1	26%	0.258	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.7	168.1	-56.8	0	0	0	0	109.5	P28 P60 C61	P28-T36 HydrophobicContact CB-CG2 4.08Å; T36-P60 HydrophobicContact CG2-CB 3.85Å; T36-C61 PolarHBondContact OG1-N 2.95Å
37	Y	83.7	Confident	85	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.2	173.8	-67.1	-76.1	0	0	0	109.2	P28 V29 D33 R35 S39 E42 V43 V46 V53	P28-Y37 CarbonylContact C-O 3.43Å; P28-Y37 WeakPolarHBondContact CA-O 3.37Å; V29-Y37 PolarHBondContact N-O 2.78Å; V29-Y37 PolarHBondContact O-N 2.91Å; D33-Y37 WeakPolarHBondContact OD1-CE2 3.19Å; D33-Y37 PolarHBondContact OD2-OH 3Å; R35-Y37 HydrophobicContact CB-CE2 3.97Å; R35-Y37 HydrophobicContact CG-CE1 4.37Å; R35-Y37 HydrophobicContact CG-CE2 4.31Å; R35-Y37 WeakPolarHBondContact O-CD2 3.33Å; Y37-S39 PolarHBondContact O-N 3.09Å; Y37-E42 HydrophobicContact CD1-CB 4.13Å; Y37-E42 HydrophobicContact CD1-CG 3.65Å; Y37-E42 HydrophobicContact CE1-CG 4.41Å; Y37-V43 HydrophobicContact CD1-CG2 4.37Å; Y37-V43 HydrophobicContact CD2-CG2 3.67Å; Y37-V43 HydrophobicContact CE2-CG2 4.42Å; Y37-V43 HydrophobicContact CG-CG2 3.62Å; Y37-V46 HydrophobicContact CD1-CG2 4.4Å; Y37-V46 HydrophobicContact CE1-CB 4.41Å; Y37-V46 HydrophobicContact CE1-CG2 3.61Å; Y37-V53 HydrophobicContact CE2-CG1 3.81Å
38	N	80.7	Confident	85.1	Confident	97 Å²	97	38.9 Å²	38.9	52%	0.519	20%	0.202	S	C	.	.	S	Bend	trans	-71.2	-19.7	-176.2	-66	-35.5	0	0	0	113	D27 E42	D27-N38 CarbonylContact C-O 3.43Å; D27-N38 PolarHBondContact N-O 3.42Å; N38-E42 WeakPolarHBondContact CB-OE2 3.49Å; N38-E42 PolarHBondContact N-OE2 3.49Å; N38-E42 PolarHBondContact ND2-OE2 3.04Å
39	S	85.5	Confident	84.5	Confident	12 Å²	12	40.9 Å²	40.9	8%	0.084	21%	0.205	C	C	.	.	S	Bend	trans	-163	163.6	178.9	63.2	0	0	0	0	111	V25 D27 Y37 C41 E42 V43	V25-S39 WeakPolarHBondContact O-CB 3.39Å; D27-S39 WeakPolarHBondContact O-CA 3.48Å; Y37-S39 PolarHBondContact O-N 3.09Å; S39-C41 PolarHBondContact O-N 3.12Å; S39-C41 WeakPolarHBondContact OG-CB 3.49Å; S39-C41 PolarHBondContact OG-N 3.27Å; S39-E42 WeakPolarHBondContact O-CB 3.3Å; S39-E42 PolarHBondContact O-N 3.35Å; S39-E42 PolarHBondContact OG-N 3.35Å; S39-V43 PolarHBondContact O-N 2.98Å
40	L	87.3	Confident	83.8	Confident	74 Å²	74	42.3 Å²	42.3	39%	0.387	22%	0.22	S	C	.	.	H	α-helix	trans	-56.7	-30.8	169.6	-70	170.9	0	0	0	112.7	V29 E42 V43 K44 V55	V29-L40 HydrophobicContact CG1-CD2 4.04Å; V29-L40 HydrophobicContact CG1-CG 4.26Å; V29-L40 HydrophobicContact CG2-CD2 4.35Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-E42 PolarHBondContact O-N 3.11Å; L40-V43 WeakPolarHBondContact O-CB 3.4Å; L40-V43 PolarHBondContact O-N 3.03Å; L40-K44 WeakPolarHBondContact O-CG 3.25Å; L40-K44 PolarHBondContact O-N 2.82Å; L40-V55 HydrophobicContact CD2-CG2 3.61Å
41	C	85.8	Confident	83.2	Confident	11 Å²	11	44.3 Å²	44.3	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-42.1	174	151.2	0	0	0	0	111.5	C19 S39 V43 K44 R45	C19-C41 HydrophobicContact CB-CB 4.11Å; C19-C41 WeakPolarHBondContact CB-SG 3.27Å; C19-C41 VanDerWaalsContact SG-C 3.53Å; C19-C41 WeakPolarHBondContact SG-CA 3.5Å; C19-C41 WeakPolarHBondContact SG-CB 3.31Å; C19-C41 PolarHBondContact SG-O 3.37Å; C19-C41 CovalentContact SG-SG 2.01Å; C19-C41 PolarHBondContact SG-SG 3.15Å; S39-C41 PolarHBondContact O-N 3.12Å; S39-C41 WeakPolarHBondContact OG-CB 3.49Å; S39-C41 PolarHBondContact OG-N 3.27Å; C41-V43 VanDerWaalsContact C-N 3.29Å; C41-V43 PolarHBondContact O-N 3.41Å; C41-K44 PolarHBondContact O-N 2.91Å; C41-R45 WeakPolarHBondContact O-CG 3.22Å; C41-R45 PolarHBondContact O-N 2.81Å
42	E	83.4	Confident	83	Confident	25 Å²	25	47.8 Å²	47.8	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-38.4	178.1	-167.4	177.8	174.8	0	0	111.7	R35 Y37 N38 S39 L40 R45 V46	R35-E42 IonicContact NH2-OE1 2.89Å; Y37-E42 HydrophobicContact CD1-CB 4.13Å; Y37-E42 HydrophobicContact CD1-CG 3.65Å; Y37-E42 HydrophobicContact CE1-CG 4.41Å; N38-E42 WeakPolarHBondContact CB-OE2 3.49Å; N38-E42 PolarHBondContact N-OE2 3.49Å; N38-E42 PolarHBondContact ND2-OE2 3.04Å; S39-E42 WeakPolarHBondContact O-CB 3.3Å; S39-E42 PolarHBondContact O-N 3.35Å; S39-E42 PolarHBondContact OG-N 3.35Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-E42 PolarHBondContact O-N 3.11Å; E42-R45 PolarHBondContact O-N 3.25Å; E42-V46 WeakPolarHBondContact O-CG2 3.21Å; E42-V46 PolarHBondContact O-N 3.11Å; E42-V46 VanDerWaalsContact O-N 3.08Å
43	V	86.4	Confident	82.9	Confident	9 Å²	9	46 Å²	46	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-46.5	173	-176.6	0	0	0	0	111.1	V29 Y37 S39 L40 C41 R45 V46 V47 V53 V55	V29-V43 HydrophobicContact CG2-CG2 3.61Å; Y37-V43 HydrophobicContact CD1-CG2 4.37Å; Y37-V43 HydrophobicContact CD2-CG2 3.67Å; Y37-V43 HydrophobicContact CE2-CG2 4.42Å; Y37-V43 HydrophobicContact CG-CG2 3.62Å; S39-V43 PolarHBondContact O-N 2.98Å; L40-V43 WeakPolarHBondContact O-CB 3.4Å; L40-V43 PolarHBondContact O-N 3.03Å; C41-V43 VanDerWaalsContact C-N 3.29Å; C41-V43 PolarHBondContact O-N 3.41Å; V43-R45 VanDerWaalsContact C-N 3.31Å; V43-R45 PolarHBondContact O-N 3.29Å; V43-V46 PolarHBondContact O-N 3.2Å; V43-V46 VanDerWaalsContact O-N 3.11Å; V43-V47 HydrophobicContact CG1-CG2 4.33Å; V43-V47 WeakPolarHBondContact O-CG2 3.18Å; V43-V47 PolarHBondContact O-N 2.88Å; V43-V53 HydrophobicContact CG1-CG1 4.33Å; V43-V55 HydrophobicContact CG1-CG2 4.13Å; V43-V55 HydrophobicContact CG2-CG2 4.19Å
44	K	85.1	Confident	83.3	Confident	128 Å²	128	53.2 Å²	53.2	56%	0.557	27%	0.271	S	S	*	.	H	α-helix	trans	-57.5	-42.2	177	-71.9	179.2	-179.6	-176.4	0	112.3	L40 C41 V46 V47 C48	L40-K44 WeakPolarHBondContact O-CG 3.25Å; L40-K44 PolarHBondContact O-N 2.82Å; C41-K44 PolarHBondContact O-N 2.91Å; K44-V46 VanDerWaalsContact C-N 3.35Å; K44-V46 PolarHBondContact O-N 3.46Å; K44-V47 PolarHBondContact O-N 3.31Å; K44-C48 WeakPolarHBondContact O-CB 3.33Å; K44-C48 PolarHBondContact O-N 3.02Å
45	R	82.9	Confident	83.7	Confident	78 Å²	78	56 Å²	56	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-44.6	175.4	-68.6	-175.2	-59.9	-174.8	-1.7	111.4	T15 C41 E42 V43 C48 Y49	T15-R45 HydrophobicContact CG2-CG 4.17Å; C41-R45 WeakPolarHBondContact O-CG 3.22Å; C41-R45 PolarHBondContact O-N 2.81Å; E42-R45 PolarHBondContact O-N 3.25Å; V43-R45 VanDerWaalsContact C-N 3.31Å; V43-R45 PolarHBondContact O-N 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.33Å; R45-C48 PolarHBondContact O-N 2.96Å; R45-Y49 HydrophobicContact CB-CD2 4.47Å; R45-Y49 HydrophobicContact CB-CE2 4.32Å; R45-Y49 WeakPolarHBondContact O-CD2 3.5Å; R45-Y49 PolarHBondContact O-N 2.91Å
46	V	81.8	Confident	84	Confident	25 Å²	25	57 Å²	57	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-42.3	-178.8	172.4	0	0	0	0	111.5	Y37 E42 V43 K44 C48 Y49 G50 N51 V53	Y37-V46 HydrophobicContact CD1-CG2 4.4Å; Y37-V46 HydrophobicContact CE1-CB 4.41Å; Y37-V46 HydrophobicContact CE1-CG2 3.61Å; E42-V46 WeakPolarHBondContact O-CG2 3.21Å; E42-V46 PolarHBondContact O-N 3.11Å; E42-V46 VanDerWaalsContact O-N 3.08Å; V43-V46 PolarHBondContact O-N 3.2Å; V43-V46 VanDerWaalsContact O-N 3.11Å; K44-V46 VanDerWaalsContact C-N 3.35Å; K44-V46 PolarHBondContact O-N 3.46Å; V46-C48 VanDerWaalsContact C-N 3.33Å; V46-Y49 CarbonylContact O-C 3.47Å; V46-Y49 PolarHBondContact O-N 3.31Å; V46-G50 PolarHBondContact O-N 3.06Å; V46-N51 HydrophobicContact CG1-CB 3.59Å; V46-N51 PolarHBondContact O-N 3.45Å; V46-N51 VanDerWaalsContact O-N 3.11Å; V46-V53 HydrophobicContact CG1-CB 4.34Å; V46-V53 HydrophobicContact CG1-CG2 3.71Å
47	V	85.9	Confident	84.4	Confident	68 Å²	68	58.8 Å²	58.8	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-43.8	172.9	173.9	0	0	0	0	111.3	V43 K44 Y49 G50 N51 V53	V43-V47 HydrophobicContact CG1-CG2 4.33Å; V43-V47 WeakPolarHBondContact O-CG2 3.18Å; V43-V47 PolarHBondContact O-N 2.88Å; K44-V47 PolarHBondContact O-N 3.31Å; V47-Y49 VanDerWaalsContact C-N 3.31Å; V47-Y49 PolarHBondContact O-N 3.49Å; V47-G50 WeakPolarHBondContact O-CA 3.31Å; V47-G50 PolarHBondContact O-N 3.1Å; V47-N51 VanDerWaalsContact CA-O 3.23Å; V47-N51 WeakPolarHBondContact CA-O 3.23Å; V47-V53 HydrophobicContact CG2-CB 4.5Å; V47-V53 WeakPolarHBondContact CG2-O 3.47Å
48	C	83.6	Confident	84.7	Confident	38 Å²	38	67.2 Å²	67.2	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-35.9	177.6	-170.2	0	0	0	0	112.7	C13 L18 K44 R45 V46 G50	C13-C48 WeakPolarHBondContact CA-SG 3.43Å; C13-C48 HydrophobicContact CB-CB 4.39Å; C13-C48 WeakPolarHBondContact CB-SG 3.44Å; C13-C48 WeakPolarHBondContact SG-CB 3.3Å; C13-C48 PolarHBondContact SG-O 3.18Å; C13-C48 CovalentContact SG-SG 2.01Å; C13-C48 PolarHBondContact SG-SG 3.38Å; L18-C48 HydrophobicContact CD1-CB 3.84Å; L18-C48 WeakPolarHBondContact CD1-SG 3.24Å; K44-C48 WeakPolarHBondContact O-CB 3.33Å; K44-C48 PolarHBondContact O-N 3.02Å; R45-C48 WeakPolarHBondContact O-CB 3.33Å; R45-C48 PolarHBondContact O-N 2.96Å; V46-C48 VanDerWaalsContact C-N 3.33Å; C48-G50 PolarHBondContact O-N 3.06Å; C48-G50 VanDerWaalsContact O-N 3.09Å
49	Y	74.8	Confident	85	Confident	82 Å²	82	63.6 Å²	63.6	32%	0.322	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	17.5	168.8	-67	-53.8	0	0	0	113.6	T15 R45 V46 V47 N51 Q293	T15-Y49 HydrophobicContact CG2-CE2 3.94Å; T15-Y49 WeakPolarHBondContact CG2-OH 3.33Å; R45-Y49 HydrophobicContact CB-CD2 4.47Å; R45-Y49 HydrophobicContact CB-CE2 4.32Å; R45-Y49 WeakPolarHBondContact O-CD2 3.5Å; R45-Y49 PolarHBondContact O-N 2.91Å; V46-Y49 CarbonylContact O-C 3.47Å; V46-Y49 PolarHBondContact O-N 3.31Å; V47-Y49 VanDerWaalsContact C-N 3.31Å; V47-Y49 PolarHBondContact O-N 3.49Å; Y49-N51 PolarHBondContact O-N 3.39Å; Y49-Q293 PolarHBondContact O-NE2 3.48Å; Y49-Q293 PolarHBondContact O-OE1 3.03Å; Y49-Q293 VanDerWaalsContact O-OE1 3.1Å
50	G	74.4	Confident	85	Confident	31 Å²	31	67 Å²	67	32%	0.32	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	17.7	171.6	0	0	0	0	0	115.4	V46 V47 C48 R81	V46-G50 PolarHBondContact O-N 3.06Å; V47-G50 WeakPolarHBondContact O-CA 3.31Å; V47-G50 PolarHBondContact O-N 3.1Å; C48-G50 PolarHBondContact O-N 3.06Å; C48-G50 VanDerWaalsContact O-N 3.09Å; G50-R81 PolarHBondContact O-NH1 3.13Å
51	N	76.7	Confident	84.8	Confident	43 Å²	43	64.1 Å²	64.1	23%	0.23	32%	0.322	C	S	.	.			trans	-99.8	108.8	167.6	-71.2	-48.4	0	0	0	108.8	V46 V47 Y49 V53 L77	V46-N51 HydrophobicContact CG1-CB 3.59Å; V46-N51 PolarHBondContact O-N 3.45Å; V46-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 VanDerWaalsContact CA-O 3.23Å; V47-N51 WeakPolarHBondContact CA-O 3.23Å; Y49-N51 PolarHBondContact O-N 3.39Å; N51-V53 HydrophobicContact CB-CG2 4.27Å; N51-V53 PolarHBondContact O-N 2.82Å; N51-L77 WeakPolarHBondContact OD1-CD2 3.02Å
52	P	83.9	Confident	84.7	Confident	75 Å²	75	69.8 Å²	69.8	49%	0.487	35%	0.351	S	S	.	.			trans	-76.7	59.4	-169.4	33.2	-37.6	0	0	0	112.8	F73 L77	P52-F73 HydrophobicContact CG-CZ 4.35Å; P52-L77 HydrophobicContact CG-CD1 4.21Å
53	V	86.8	Confident	84.1	Confident	6 Å²	6	76.1 Å²	76.1	4%	0.036	38%	0.381	C	S	.	.			trans	-79.3	129.9	-178.6	-178.7	0	0	0	0	110	D33 Y37 V43 V46 V47 N51 F73	D33-V53 HydrophobicContact CB-CG2 4.3Å; Y37-V53 HydrophobicContact CE2-CG1 3.81Å; V43-V53 HydrophobicContact CG1-CG1 4.33Å; V46-V53 HydrophobicContact CG1-CB 4.34Å; V46-V53 HydrophobicContact CG1-CG2 3.71Å; V47-V53 HydrophobicContact CG2-CB 4.5Å; V47-V53 WeakPolarHBondContact CG2-O 3.47Å; N51-V53 HydrophobicContact CB-CG2 4.27Å; N51-V53 PolarHBondContact O-N 2.82Å; V53-F73 HydrophobicContact CG2-CE1 4.22Å; V53-F73 HydrophobicContact CG2-CE2 4.45Å; V53-F73 HydrophobicContact CG2-CZ 3.76Å
54	K	90.3	Very high	83.4	Confident	162 Å²	162	84.8 Å²	84.8	70%	0.704	42%	0.418	S	S	*	.			trans	-106.2	149.1	171.6	-62.8	-178.8	-178.6	-180	0	109.3	G31 S32 K56	G31-K54 CarbonylContact C-O 3.33Å; G31-K54 WeakPolarHBondContact CA-O 3.34Å; S32-K54 WeakPolarHBondContact CB-O 3.47Å; S32-K54 PolarHBondContact N-O 3.43Å; S32-K54 PolarHBondContact OG-N 3.36Å; S32-K54 PolarHBondContact OG-O 3.34Å; K54-K56 PolarHBondContact O-N 3.5Å
55	V	90.8	Very high	83.1	Confident	61 Å²	61	79.5 Å²	79.5	37%	0.37	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.6	171.7	178.9	0	0	0	0	108.6	V29 L40 V43	V29-V55 HydrophobicContact CB-CG1 4.05Å; V29-V55 HydrophobicContact CG1-CG1 4.41Å; V29-V55 HydrophobicContact CG2-CG2 4.36Å; L40-V55 HydrophobicContact CD2-CG2 3.61Å; V43-V55 HydrophobicContact CG1-CG2 4.13Å; V43-V55 HydrophobicContact CG2-CG2 4.19Å
56	K	89.4	Confident	83.1	Confident	126 Å²	126	78.1 Å²	78.1	55%	0.548	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-47.9	177.7	-167.3	-178.8	178.5	173.9	0	111.6	C30 K54	C30-K56 PolarHBondContact O-N 3Å; K54-K56 PolarHBondContact O-N 3.5Å
57	Y	92.2	Very high	83.4	Confident	81 Å²	81	76.9 Å²	76.9	32%	0.318	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	163.2	173.9	53.3	-98.6	0	0	0	110.8	C30 P60 C61 L62	C30-Y57 HydrophobicContact CB-CD1 4.22Å; C30-Y57 HydrophobicContact CB-CD2 3.75Å; C30-Y57 HydrophobicContact CB-CE1 3.97Å; C30-Y57 HydrophobicContact CB-CE2 3.48Å; C30-Y57 VanDerWaalsContact CB-CE2 3.48Å; C30-Y57 HydrophobicContact CB-CG 4.12Å; C30-Y57 PolarHBondContact N-O 3.39Å; C30-Y57 VanDerWaalsContact SG-CZ 3.6Å; Y57-P60 WeakPolarHBondContact CE2-O 3.5Å; Y57-C61 VanDerWaalsContact OH-CA 3.32Å; Y57-C61 WeakPolarHBondContact OH-CA 3.2Å; Y57-L62 PolarHBondContact OH-N 3.07Å
58	R	90.8	Very high	83.5	Confident	180 Å²	180	78.5 Å²	78.5	68%	0.679	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	142.9	172.9	-69.4	-172.5	176.8	-132.9	9.7	110.7	D27	D27-R58 IonicContact OD2-NH1 3.18Å; D27-R58 PolarHBondContact OD2-NH1 3.32Å
59	G	86.7	Confident	83.6	Confident	20 Å²	20	79.6 Å²	79.6	21%	0.206	39%	0.393	C	S	.	.	S	Bend	trans	98.9	170.3	-170.7	0	0	0	0	0	113	P28 V29 C30	P28-G59 CarbonylContact O-C 3.51Å; P28-G59 WeakPolarHBondContact O-CA 3.32Å; P28-G59 PolarHBondContact O-N 3.01Å; V29-G59 CarbonylContact C-O 3.49Å; V29-G59 VanDerWaalsContact C-O 3.24Å; V29-G59 WeakPolarHBondContact CA-O 3.38Å; C30-G59 PolarHBondContact N-O 2.79Å
60	P	85.8	Confident	84.2	Confident	85 Å²	85	77.2 Å²	77.2	55%	0.552	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-67.2	148.9	178.4	29.6	-35.3	0	0	0	111.9	T36 Y57	T36-P60 HydrophobicContact CG2-CB 3.85Å; Y57-P60 WeakPolarHBondContact CE2-O 3.5Å
61	C	83.9	Confident	84.7	Confident	12 Å²	12	79.9 Å²	79.9	8%	0.081	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.5	142.8	172.3	-63.2	0	0	0	0	111.4	C30 G34 R35 T36 Y57 E63	C30-C61 WeakPolarHBondContact CA-SG 3.38Å; C30-C61 HydrophobicContact CB-CB 4Å; C30-C61 WeakPolarHBondContact CB-SG 3.25Å; C30-C61 WeakPolarHBondContact SG-CA 3.46Å; C30-C61 WeakPolarHBondContact SG-CB 3.2Å; C30-C61 CovalentContact SG-SG 2.04Å; C30-C61 PolarHBondContact SG-SG 2.73Å; G34-C61 PolarHBondContact O-SG 3.25Å; R35-C61 PolarHBondContact O-SG 3.07Å; T36-C61 PolarHBondContact OG1-N 2.95Å; Y57-C61 VanDerWaalsContact OH-CA 3.32Å; Y57-C61 WeakPolarHBondContact OH-CA 3.2Å; C61-E63 PolarHBondContact O-N 3.27Å
62	L	83.1	Confident	85.3	Confident	131 Å²	131	80.9 Å²	80.9	69%	0.686	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-54.9	131.2	166.9	-64.7	170.9	0	0	0	110.2	Y57 K64	Y57-L62 PolarHBondContact OH-N 3.07Å; L62-K64 VanDerWaalsContact C-N 3.32Å; L62-K64 PolarHBondContact O-N 3.42Å
63	E	70.9	Confident	85.4	Confident	158 Å²	158	78.3 Å²	78.3	74%	0.738	38%	0.377	S	S	*	.	S	Bend	trans	-69	-31.9	-179.2	-66.8	-164.8	150.6	0	0	112.5	C61 G65 R66	C61-E63 PolarHBondContact O-N 3.27Å; E63-G65 PolarHBondContact O-N 2.85Å; E63-R66 WeakPolarHBondContact O-CB 3.38Å; E63-R66 PolarHBondContact O-N 3.18Å
64	K	71.5	Confident	85.1	Confident	191 Å²	191	79.4 Å²	79.4	83%	0.83	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	128	177.4	-68.5	-174.4	178.8	-177.8	0	110.6	L62 R66	L62-K64 VanDerWaalsContact C-N 3.32Å; L62-K64 PolarHBondContact O-N 3.42Å; K64-R66 PolarHBondContact O-N 3.28Å
65	G	78.5	Confident	84.7	Confident	17 Å²	17	75 Å²	75	18%	0.175	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	5.8	179.6	0	0	0	0	0	114.8	E63 C67 Q68 L69	E63-G65 PolarHBondContact O-N 2.85Å; G65-C67 VanDerWaalsContact C-N 3.32Å; G65-C67 PolarHBondContact O-N 2.74Å; G65-Q68 PolarHBondContact O-N 3.35Å; G65-Q68 VanDerWaalsContact O-N 3.15Å; G65-L69 PolarHBondContact O-N 3.47Å
66	R	84.1	Confident	84.4	Confident	48 Å²	48	77 Å²	77	18%	0.181	37%	0.371	C	S	.	.	H	α-helix	trans	-57.5	-43	-179.1	176.7	169.4	172.2	-140.2	-16	112.7	G34 E63 K64 Q68 L69 E70 F97 S131	G34-R66 WeakPolarHBondContact O-CD 3.26Å; G34-R66 WeakPolarHBondContact O-CG 3.24Å; G34-R66 PolarHBondContact O-NE 3.34Å; E63-R66 WeakPolarHBondContact O-CB 3.38Å; E63-R66 PolarHBondContact O-N 3.18Å; K64-R66 PolarHBondContact O-N 3.28Å; R66-Q68 VanDerWaalsContact C-N 3.3Å; R66-Q68 PolarHBondContact O-N 3.06Å; R66-L69 PolarHBondContact O-N 2.91Å; R66-E70 PolarHBondContact O-N 3.47Å; R66-E70 VanDerWaalsContact O-N 3.08Å; R66-F97 HydrophobicContact CB-CE2 4.44Å; R66-F97 HydrophobicContact CG-CE2 3.98Å; R66-F97 HydrophobicContact CG-CZ 4.36Å; R66-S131 PolarHBondContact NH1-O 3.16Å
67	C	87.9	Confident	83.9	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-39.6	179.5	-176.6	0	0	0	0	111.4	G65 L69 E70 R71 E90 C91 G95 F97	G65-C67 VanDerWaalsContact C-N 3.32Å; G65-C67 PolarHBondContact O-N 2.74Å; C67-L69 PolarHBondContact O-N 3.48Å; C67-E70 PolarHBondContact O-N 2.81Å; C67-R71 WeakPolarHBondContact O-CB 3.45Å; C67-R71 PolarHBondContact O-N 2.98Å; C67-E90 PolarHBondContact SG-O 2.72Å; C67-E90 VanDerWaalsContact SG-O 3.37Å; C67-C91 HydrophobicContact CB-CB 3.72Å; C67-C91 WeakPolarHBondContact CB-SG 3.02Å; C67-C91 PolarHBondContact O-SG 2.95Å; C67-C91 WeakPolarHBondContact SG-CA 3.27Å; C67-C91 WeakPolarHBondContact SG-CB 3.44Å; C67-C91 CovalentContact SG-SG 2.04Å; C67-C91 PolarHBondContact SG-SG 3.07Å; C67-G95 VanDerWaalsContact CB-O 3.25Å; C67-G95 WeakPolarHBondContact CB-O 3.45Å; C67-G95 PolarHBondContact N-O 2.94Å; C67-F97 HydrophobicContact CB-CD1 4.02Å; C67-F97 HydrophobicContact CB-CD2 3.87Å; C67-F97 HydrophobicContact CB-CE1 4.07Å; C67-F97 HydrophobicContact CB-CE2 3.93Å; C67-F97 HydrophobicContact CB-CG 3.93Å; C67-F97 HydrophobicContact CB-CZ 4.02Å
68	Q	88	Confident	82.9	Confident	101 Å²	101	68.6 Å²	68.6	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-38.7	-178.9	-65.1	174.2	-3.1	0	0	112	G65 R66 R71 S72 C91	G65-Q68 PolarHBondContact O-N 3.35Å; G65-Q68 VanDerWaalsContact O-N 3.15Å; R66-Q68 VanDerWaalsContact C-N 3.3Å; R66-Q68 PolarHBondContact O-N 3.06Å; Q68-R71 PolarHBondContact O-N 3.29Å; Q68-S72 PolarHBondContact O-N 3.04Å; Q68-S72 PolarHBondContact O-OG 3.47Å; Q68-C91 HydrophobicContact CG-CB 4.49Å
69	L	86	Confident	82.3	Confident	61 Å²	61	63.4 Å²	63.4	32%	0.319	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-44.5	173.7	-69.3	173.5	0	0	0	112	G65 R66 C67 R71 S72 F73	G65-L69 PolarHBondContact O-N 3.47Å; R66-L69 PolarHBondContact O-N 2.91Å; C67-L69 PolarHBondContact O-N 3.48Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-S72 PolarHBondContact O-OG 2.82Å; L69-F73 WeakPolarHBondContact O-CB 3.43Å; L69-F73 PolarHBondContact O-N 3.12Å; L69-F73 VanDerWaalsContact O-N 3.11Å
70	E	86.6	Confident	81.8	Confident	33 Å²	33	69.6 Å²	69.6	15%	0.154	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-41.9	177.6	-169.4	167.9	163	0	0	110.6	D33 R66 C67 F73 Q74 P89 F97	D33-E70 WeakPolarHBondContact O-CA 3.36Å; D33-E70 PolarHBondContact O-N 3.15Å; R66-E70 PolarHBondContact O-N 3.47Å; R66-E70 VanDerWaalsContact O-N 3.08Å; C67-E70 PolarHBondContact O-N 2.81Å; E70-F73 PolarHBondContact O-N 3.22Å; E70-Q74 VanDerWaalsContact O-CG 3.27Å; E70-Q74 WeakPolarHBondContact O-CG 3.35Å; E70-Q74 PolarHBondContact O-N 3.37Å; E70-P89 HydrophobicContact CB-CG 4.27Å; E70-P89 HydrophobicContact CG-CG 4.15Å; E70-F97 VanDerWaalsContact OE2-CZ 3.31Å; E70-F97 WeakPolarHBondContact OE2-CZ 3.44Å
71	R	85.9	Confident	81.1	Confident	86 Å²	86	69.5 Å²	69.5	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-49.1	176.4	-175.6	176.5	-176.5	139.9	-3.7	112.6	C67 Q68 L69 Q74 L75 V88 P89	C67-R71 WeakPolarHBondContact O-CB 3.45Å; C67-R71 PolarHBondContact O-N 2.98Å; Q68-R71 PolarHBondContact O-N 3.29Å; L69-R71 VanDerWaalsContact C-N 3.34Å; R71-Q74 PolarHBondContact O-N 3.48Å; R71-L75 HydrophobicContact CG-CD1 4.06Å; R71-L75 WeakPolarHBondContact O-CG 3.33Å; R71-L75 PolarHBondContact O-N 3.34Å; R71-V88 HydrophobicContact CG-CG1 3.65Å; R71-P89 HydrophobicContact CB-CG 4.14Å; R71-P89 WeakPolarHBondContact CD-O 3.07Å; R71-P89 PolarHBondContact NH1-O 3.27Å
72	S	88.1	Confident	80.2	Confident	64 Å²	64	76.4 Å²	76.4	45%	0.448	38%	0.382	S	S	.	.	H	α-helix	trans	-64.5	-41.1	-179.5	62.2	0	0	0	0	111.6	Q68 L69 L75 E76	Q68-S72 PolarHBondContact O-N 3.04Å; Q68-S72 PolarHBondContact O-OG 3.47Å; L69-S72 PolarHBondContact O-OG 2.82Å; S72-L75 PolarHBondContact O-N 3.09Å; S72-E76 WeakPolarHBondContact O-CB 3.48Å; S72-E76 PolarHBondContact O-N 3.08Å
73	F	86.4	Confident	79.1	Confident	21 Å²	21	71.1 Å²	71.1	9%	0.092	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-45.4	175.6	-175.3	-91.8	0	0	0	112.2	D33 P52 V53 L69 E70 E76 L77	D33-F73 HydrophobicContact CB-CB 4.19Å; D33-F73 HydrophobicContact CB-CD1 3.72Å; D33-F73 HydrophobicContact CB-CD2 4.04Å; D33-F73 HydrophobicContact CB-CE1 4.07Å; D33-F73 HydrophobicContact CB-CE2 4.36Å; D33-F73 HydrophobicContact CB-CG 3.71Å; D33-F73 HydrophobicContact CB-CZ 4.37Å; P52-F73 HydrophobicContact CG-CZ 4.35Å; V53-F73 HydrophobicContact CG2-CE1 4.22Å; V53-F73 HydrophobicContact CG2-CE2 4.45Å; V53-F73 HydrophobicContact CG2-CZ 3.76Å; L69-F73 WeakPolarHBondContact O-CB 3.43Å; L69-F73 PolarHBondContact O-N 3.12Å; L69-F73 VanDerWaalsContact O-N 3.11Å; E70-F73 PolarHBondContact O-N 3.22Å; F73-E76 PolarHBondContact O-N 2.86Å; F73-L77 HydrophobicContact CE1-CD2 4.4Å; F73-L77 WeakPolarHBondContact O-CB 3.17Å; F73-L77 PolarHBondContact O-N 3.25Å
74	Q	79.6	Confident	78.3	Confident	29 Å²	29	65.5 Å²	65.5	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-67.3	-38.3	178.6	-65.4	-60	-27.6	0	0	112.3	E70 R71 L77 A78 L86 F87 V88	E70-Q74 VanDerWaalsContact O-CG 3.27Å; E70-Q74 WeakPolarHBondContact O-CG 3.35Å; E70-Q74 PolarHBondContact O-N 3.37Å; R71-Q74 PolarHBondContact O-N 3.48Å; Q74-L77 PolarHBondContact O-N 3.17Å; Q74-A78 WeakPolarHBondContact O-CB 3.45Å; Q74-A78 PolarHBondContact O-N 3.35Å; Q74-L86 WeakPolarHBondContact O-CD2 3.24Å; Q74-F87 WeakPolarHBondContact CG-O 3.3Å; Q74-V88 HydrophobicContact CB-CG2 3.99Å
75	L	82.4	Confident	77.5	Confident	71 Å²	71	59.6 Å²	59.6	37%	0.372	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.4	-74.6	169	0	0	0	112	R71 S72 L77 A78 A79 V88	R71-L75 HydrophobicContact CG-CD1 4.06Å; R71-L75 WeakPolarHBondContact O-CG 3.33Å; R71-L75 PolarHBondContact O-N 3.34Å; S72-L75 PolarHBondContact O-N 3.09Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-A78 PolarHBondContact O-N 3.44Å; L75-A79 WeakPolarHBondContact O-CB 3.49Å; L75-A79 PolarHBondContact O-N 2.88Å; L75-V88 HydrophobicContact CD1-CG1 4.42Å; L75-V88 HydrophobicContact CD2-CG1 4.02Å; L75-V88 HydrophobicContact CD2-CG2 4.03Å; L75-V88 HydrophobicContact CG-CG1 3.87Å; L75-V88 HydrophobicContact CG-CG2 4.31Å
76	E	84.8	Confident	76.7	Confident	103 Å²	103	59.7 Å²	59.7	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-40.6	176.7	-168.2	-174.8	162.1	0	0	111.4	S72 F73 A79 K80	S72-E76 WeakPolarHBondContact O-CB 3.48Å; S72-E76 PolarHBondContact O-N 3.08Å; F73-E76 PolarHBondContact O-N 2.86Å; E76-A79 PolarHBondContact O-N 2.92Å; E76-K80 HydrophobicContact CG-CD 4.26Å; E76-K80 WeakPolarHBondContact O-CB 3.32Å; E76-K80 WeakPolarHBondContact O-CG 3.5Å; E76-K80 PolarHBondContact O-N 3.01Å; E76-K80 VanDerWaalsContact OE1-CE 3.3Å; E76-K80 WeakPolarHBondContact OE1-CE 3.46Å; E76-K80 IonicContact OE1-NZ 2.62Å; E76-K80 PolarHBondContact OE1-NZ 3.38Å
77	L	79.2	Confident	76	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-41	176.8	-170.7	62.9	0	0	0	112.1	N51 P52 F73 Q74 L75 A79 K80 R81 L86	N51-L77 WeakPolarHBondContact OD1-CD2 3.02Å; P52-L77 HydrophobicContact CG-CD1 4.21Å; F73-L77 HydrophobicContact CE1-CD2 4.4Å; F73-L77 WeakPolarHBondContact O-CB 3.17Å; F73-L77 PolarHBondContact O-N 3.25Å; Q74-L77 PolarHBondContact O-N 3.17Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L77-A79 VanDerWaalsContact C-N 3.35Å; L77-K80 PolarHBondContact O-N 3.21Å; L77-R81 HydrophobicContact CD1-CG 4.19Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 WeakPolarHBondContact O-CG 3.46Å; L77-R81 PolarHBondContact O-N 2.97Å; L77-L86 HydrophobicContact CB-CD2 3.84Å; L77-L86 HydrophobicContact CD2-CD2 3.95Å; L77-L86 HydrophobicContact CG-CD2 3.91Å
78	A	71.4	Confident	75.4	Confident	20 Å²	20	59.4 Å²	59.4	17%	0.165	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-43.8	174.9	0	0	0	0	0	111.5	Q74 L75 N82 L83 L86	Q74-A78 WeakPolarHBondContact O-CB 3.45Å; Q74-A78 PolarHBondContact O-N 3.35Å; L75-A78 PolarHBondContact O-N 3.44Å; A78-N82 WeakPolarHBondContact O-CA 3.38Å; A78-N82 PolarHBondContact O-N 3.1Å; A78-N82 VanDerWaalsContact O-N 3.08Å; A78-L83 WeakPolarHBondContact CB-O 3.21Å; A78-L83 PolarHBondContact O-N 2.85Å; A78-L86 HydrophobicContact CB-CB 4.3Å; A78-L86 HydrophobicContact CB-CD2 4Å
79	A	78.2	Confident	75	Confident	71 Å²	71	54.6 Å²	54.6	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-65.8	-46.2	177.6	0	0	0	0	0	112.1	L75 E76 L77 R81 N82	L75-A79 WeakPolarHBondContact O-CB 3.49Å; L75-A79 PolarHBondContact O-N 2.88Å; E76-A79 PolarHBondContact O-N 2.92Å; L77-A79 VanDerWaalsContact C-N 3.35Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 3.42Å; A79-N82 PolarHBondContact O-N 3.41Å
80	K	76	Confident	74.9	Confident	150 Å²	150	53.6 Å²	53.6	65%	0.652	28%	0.28	S	S	*	.	H	α-helix	trans	-64.5	-33.1	179.4	-77.9	175.5	171.5	171.3	0	113.4	E76 L77	E76-K80 HydrophobicContact CG-CD 4.26Å; E76-K80 WeakPolarHBondContact O-CB 3.32Å; E76-K80 WeakPolarHBondContact O-CG 3.5Å; E76-K80 PolarHBondContact O-N 3.01Å; E76-K80 VanDerWaalsContact OE1-CE 3.3Å; E76-K80 WeakPolarHBondContact OE1-CE 3.46Å; E76-K80 IonicContact OE1-NZ 2.62Å; E76-K80 PolarHBondContact OE1-NZ 3.38Å; L77-K80 PolarHBondContact O-N 3.21Å
81	R	69.9	Low	74.9	Confident	82 Å²	82	53.4 Å²	53.4	31%	0.309	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.6	-175.5	-61.1	178	85.3	152.5	9.2	113.7	G50 L77 A79 L83	G50-R81 PolarHBondContact O-NH1 3.13Å; L77-R81 HydrophobicContact CD1-CG 4.19Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 WeakPolarHBondContact O-CG 3.46Å; L77-R81 PolarHBondContact O-N 2.97Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 3.42Å; R81-L83 HydrophobicContact CB-CB 4.17Å; R81-L83 PolarHBondContact O-N 2.71Å
82	N	66.6	Low	74.9	Confident	157 Å²	157	53 Å²	53	84%	0.84	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	42.9	-170.4	-76.9	-22	0	0	0	112.6	A78 A79	A78-N82 WeakPolarHBondContact O-CA 3.38Å; A78-N82 PolarHBondContact O-N 3.1Å; A78-N82 VanDerWaalsContact O-N 3.08Å; A79-N82 PolarHBondContact O-N 3.41Å
83	L	59.8	Low	74.7	Confident	20 Å²	20	59.3 Å²	59.3	11%	0.105	31%	0.306	C	S	.	.			trans	-110.8	103.4	-172.5	-170.8	64.9	0	0	0	111.4	A78 R81 T85 L86 R292	A78-L83 WeakPolarHBondContact CB-O 3.21Å; A78-L83 PolarHBondContact O-N 2.85Å; R81-L83 HydrophobicContact CB-CB 4.17Å; R81-L83 PolarHBondContact O-N 2.71Å; L83-T85 WeakPolarHBondContact CD1-OG1 3.3Å; L83-L86 HydrophobicContact CD2-CB 4.1Å; L83-L86 HydrophobicContact CD2-CD1 4.23Å; L83-L86 HydrophobicContact CG-CB 4.28Å; L83-R292 VanDerWaalsContact CD1-CZ 3.43Å; L83-R292 VanDerWaalsContact CD1-NH2 3.33Å
84	S	53.5	Low	74.6	Confident	41 Å²	41	63.7 Å²	63.7	29%	0.287	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.5	179.1	62.3	0	0	0	0	114.6	C105 P567	S84-C105 PolarHBondContact O-SG 3.26Å; S84-P567 VanDerWaalsContact OG-CB 3.22Å; S84-P567 WeakPolarHBondContact OG-CB 3.48Å
85	T	54.9	Low	74.6	Confident	67 Å²	67	62.4 Å²	62.4	41%	0.411	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6.8	-177.3	63.6	0	0	0	0	113.6	L83	L83-T85 WeakPolarHBondContact CD1-OG1 3.3Å
86	L	61.4	Low	74.7	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.099	31%	0.313	C	S	.	.	S	Bend	trans	-74.1	134.4	179.9	-168.5	64.4	0	0	0	110	Q74 L77 A78 L83 V88	Q74-L86 WeakPolarHBondContact O-CD2 3.24Å; L77-L86 HydrophobicContact CB-CD2 3.84Å; L77-L86 HydrophobicContact CD2-CD2 3.95Å; L77-L86 HydrophobicContact CG-CD2 3.91Å; A78-L86 HydrophobicContact CB-CB 4.3Å; A78-L86 HydrophobicContact CB-CD2 4Å; L83-L86 HydrophobicContact CD2-CB 4.1Å; L83-L86 HydrophobicContact CD2-CD1 4.23Å; L83-L86 HydrophobicContact CG-CB 4.28Å; L86-V88 PolarHBondContact O-N 3.4Å
87	F	70.5	Confident	74.7	Confident	39 Å²	39	55.2 Å²	55.2	17%	0.171	29%	0.292	C	S	.	.			trans	-71.4	122.5	179.1	173.2	-100.7	0	0	0	110.4	Q74 P89 Q101 W126 F285	Q74-F87 WeakPolarHBondContact CG-O 3.3Å; F87-P89 HydrophobicContact CE1-CB 3.98Å; F87-P89 HydrophobicContact CZ-CB 4.15Å; F87-Q101 HydrophobicContact CE2-CB 4.35Å; F87-Q101 HydrophobicContact CZ-CB 4.11Å; F87-Q101 HydrophobicContact CZ-CG 4.39Å; F87-W126 AromaticContact CD2-CH2 3.89Å; F87-W126 HydrophobicContact CD2-CH2 3.89Å; F87-W126 HydrophobicContact CD2-CZ2 4.12Å; F87-W126 AromaticContact CE2-CH2 3.57Å; F87-W126 HydrophobicContact CE2-CH2 3.57Å; F87-W126 AromaticContact CE2-CZ2 3.47Å; F87-W126 HydrophobicContact CE2-CZ2 3.47Å; F87-W126 VanDerWaalsContact CE2-CZ2 3.47Å; F87-W126 HydrophobicContact CZ-CH2 4.36Å; F87-W126 AromaticContact CZ-CZ2 3.8Å; F87-W126 HydrophobicContact CZ-CZ2 3.8Å; F87-F285 HydrophobicContact CB-CE2 4.44Å
88	V	74.1	Confident	74.9	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.018	29%	0.294	C	S	.	.			trans	-115.8	120.6	173.6	179.2	0	0	0	0	108	R71 Q74 L75 L86 L104	R71-V88 HydrophobicContact CG-CG1 3.65Å; Q74-V88 HydrophobicContact CB-CG2 3.99Å; L75-V88 HydrophobicContact CD1-CG1 4.42Å; L75-V88 HydrophobicContact CD2-CG1 4.02Å; L75-V88 HydrophobicContact CD2-CG2 4.03Å; L75-V88 HydrophobicContact CG-CG1 3.87Å; L75-V88 HydrophobicContact CG-CG2 4.31Å; L86-V88 PolarHBondContact O-N 3.4Å; V88-L104 HydrophobicContact CB-CB 4.2Å; V88-L104 HydrophobicContact CB-CD1 4.19Å; V88-L104 HydrophobicContact CG1-CD1 4.03Å
89	P	80.2	Confident	75.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.			trans	-70	145.8	-176.8	26.7	-34	0	0	0	113.2	E70 R71 F87 F97 Q101	E70-P89 HydrophobicContact CB-CG 4.27Å; E70-P89 HydrophobicContact CG-CG 4.15Å; R71-P89 HydrophobicContact CB-CG 4.14Å; R71-P89 WeakPolarHBondContact CD-O 3.07Å; R71-P89 PolarHBondContact NH1-O 3.27Å; F87-P89 HydrophobicContact CE1-CB 3.98Å; F87-P89 HydrophobicContact CZ-CB 4.15Å; P89-F97 HydrophobicContact CB-CD1 4.11Å; P89-F97 HydrophobicContact CB-CE1 3.93Å; P89-F97 HydrophobicContact CG-CE1 4.32Å; P89-Q101 VanDerWaalsContact CA-OE1 3.23Å
90	E	83.7	Confident	75.2	Confident	39 Å²	39	53.5 Å²	53.5	18%	0.182	27%	0.273	C	S	.	.			trans	-84.4	133	166.8	-72.6	-166.5	163.5	0	0	110.3	C67 S98 Q101 V102	C67-E90 PolarHBondContact SG-O 2.72Å; C67-E90 VanDerWaalsContact SG-O 3.37Å; E90-S98 WeakPolarHBondContact O-CB 3.41Å; E90-S98 PolarHBondContact O-N 3.47Å; E90-Q101 PolarHBondContact O-NE2 2.68Å; E90-V102 HydrophobicContact CG-CG2 3.95Å; E90-V102 WeakPolarHBondContact OE1-CG2 3.35Å
91	C	87.4	Confident	75.1	Confident	29 Å²	29	46.5 Å²	46.5	20%	0.196	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-118.4	144.9	-176.8	-50.1	0	0	0	0	109.4	C67 Q68 S96	C67-C91 HydrophobicContact CB-CB 3.72Å; C67-C91 WeakPolarHBondContact CB-SG 3.02Å; C67-C91 PolarHBondContact O-SG 2.95Å; C67-C91 WeakPolarHBondContact SG-CA 3.27Å; C67-C91 WeakPolarHBondContact SG-CB 3.44Å; C67-C91 CovalentContact SG-SG 2.04Å; C67-C91 PolarHBondContact SG-SG 3.07Å; Q68-C91 HydrophobicContact CG-CB 4.49Å; C91-S96 WeakPolarHBondContact CA-O 3.36Å
92	E	85.5	Confident	74.9	Confident	77 Å²	77	42.9 Å²	42.9	36%	0.36	23%	0.23	S	C	.	.			trans	-79.8	169.1	167.8	-57.1	-64.2	158.4	0	0	109.9	D94 G95 S96 S98	E92-D94 WeakPolarHBondContact CB-OD1 3.26Å; E92-D94 PolarHBondContact O-N 3.36Å; E92-G95 PolarHBondContact O-N 3.43Å; E92-S96 PolarHBondContact N-O 2.97Å; E92-S98 WeakPolarHBondContact OE1-CA 3.34Å; E92-S98 WeakPolarHBondContact OE1-CB 3.49Å; E92-S98 PolarHBondContact OE1-OG 3.23Å
93	E	84.2	Confident	74.3	Confident	197 Å²	197	35.5 Å²	35.5	92%	0.921	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.8	-177.3	-65.3	179.9	177.2	0	0	113.1	G95	E93-G95 PolarHBondContact O-N 3.15Å
94	D	82.6	Confident	73.6	Confident	114 Å²	114	37 Å²	37	61%	0.61	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.1	176.5	71.6	-12.4	0	0	0	113.6	E92 S96	E92-D94 WeakPolarHBondContact CB-OD1 3.26Å; E92-D94 PolarHBondContact O-N 3.36Å; D94-S96 VanDerWaalsContact C-N 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 3.08Å; D94-S96 PolarHBondContact OD1-OG 3.36Å; D94-S96 PolarHBondContact OD2-OG 2.97Å
95	G	80.8	Confident	72.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	79.9	6.2	-177.3	0	0	0	0	0	114.5	C67 E92 E93	C67-G95 VanDerWaalsContact CB-O 3.25Å; C67-G95 WeakPolarHBondContact CB-O 3.45Å; C67-G95 PolarHBondContact N-O 2.94Å; E92-G95 PolarHBondContact O-N 3.43Å; E93-G95 PolarHBondContact O-N 3.15Å
96	S	84.5	Confident	71.8	Confident	16 Å²	16	36.9 Å²	36.9	11%	0.112	20%	0.2	C	C	.	.	S	Bend	trans	-75.5	164.5	168.9	75.3	0	0	0	0	111.3	C91 E92 D94	C91-S96 WeakPolarHBondContact CA-O 3.36Å; E92-S96 PolarHBondContact N-O 2.97Å; D94-S96 VanDerWaalsContact C-N 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 3.08Å; D94-S96 PolarHBondContact OD1-OG 3.36Å; D94-S96 PolarHBondContact OD2-OG 2.97Å
97	F	83.3	Confident	70.7	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.035	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-74.6	133.8	175.5	-72	-97.7	0	0	0	110.4	R66 C67 E70 P89 S99 V128 T130 Q150	R66-F97 HydrophobicContact CB-CE2 4.44Å; R66-F97 HydrophobicContact CG-CE2 3.98Å; R66-F97 HydrophobicContact CG-CZ 4.36Å; C67-F97 HydrophobicContact CB-CD1 4.02Å; C67-F97 HydrophobicContact CB-CD2 3.87Å; C67-F97 HydrophobicContact CB-CE1 4.07Å; C67-F97 HydrophobicContact CB-CE2 3.93Å; C67-F97 HydrophobicContact CB-CG 3.93Å; C67-F97 HydrophobicContact CB-CZ 4.02Å; E70-F97 VanDerWaalsContact OE2-CZ 3.31Å; E70-F97 WeakPolarHBondContact OE2-CZ 3.44Å; P89-F97 HydrophobicContact CB-CD1 4.11Å; P89-F97 HydrophobicContact CB-CE1 3.93Å; P89-F97 HydrophobicContact CG-CE1 4.32Å; F97-S99 PolarHBondContact O-N 3.16Å; F97-V128 HydrophobicContact CB-CG1 4.16Å; F97-T130 PolarHBondContact N-O 3.26Å; F97-Q150 PolarHBondContact O-NE2 3.04Å
98	S	84.2	Confident	69.2	Low	14 Å²	14	44.4 Å²	44.4	10%	0.098	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-55.7	136.5	172.9	-171	0	0	0	0	110.7	E90 E92 I100 Q101	E90-S98 WeakPolarHBondContact O-CB 3.41Å; E90-S98 PolarHBondContact O-N 3.47Å; E92-S98 WeakPolarHBondContact OE1-CA 3.34Å; E92-S98 WeakPolarHBondContact OE1-CB 3.49Å; E92-S98 PolarHBondContact OE1-OG 3.23Å; S98-I100 WeakPolarHBondContact CB-O 3.44Å; S98-I100 PolarHBondContact O-N 3.01Å; S98-I100 PolarHBondContact OG-O 2.83Å; S98-Q101 PolarHBondContact O-NE2 3.34Å
99	S	79.9	Confident	67.6	Low	32 Å²	32	49.1 Å²	49.1	22%	0.224	27%	0.267	C	S	.	.	S	Bend	trans	-52.1	-23.5	178.1	63.7	0	0	0	0	113.1	F97 C127 V128 C147	F97-S99 PolarHBondContact O-N 3.16Å; S99-C127 CarbonylContact O-C 3.49Å; S99-C127 WeakPolarHBondContact O-CA 3.22Å; S99-V128 PolarHBondContact O-N 3.34Å; S99-C147 PolarHBondContact O-SG 2.66Å
100	I	75.5	Confident	65.7	Low	18 Å²	18	57.8 Å²	57.8	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.2	174.2	-64.1	163.8	0	0	0	107.6	S98 V102 C125 W126 K144 P145 C147	S98-I100 WeakPolarHBondContact CB-O 3.44Å; S98-I100 PolarHBondContact O-N 3.01Å; S98-I100 PolarHBondContact OG-O 2.83Å; I100-V102 HydrophobicContact CG2-CG1 4Å; I100-C125 HydrophobicContact CG2-CB 4.41Å; I100-W126 WeakPolarHBondContact CA-O 3.05Å; I100-K144 HydrophobicContact CD1-CD 3.97Å; I100-K144 HydrophobicContact CD1-CG 3.61Å; I100-P145 HydrophobicContact CG1-CG 4.17Å; I100-P145 HydrophobicContact CG2-CG 4.19Å; I100-C147 HydrophobicContact CG1-CB 4.39Å; I100-C147 WeakPolarHBondContact CG1-SG 3.28Å
101	Q	74.6	Confident	63.8	Low	3 Å²	3	64 Å²	64	1%	0.014	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.8	172.4	-68	-62.6	-42.4	0	0	110.7	F87 P89 E90 S98 W126 V128	F87-Q101 HydrophobicContact CE2-CB 4.35Å; F87-Q101 HydrophobicContact CZ-CB 4.11Å; F87-Q101 HydrophobicContact CZ-CG 4.39Å; P89-Q101 VanDerWaalsContact CA-OE1 3.23Å; E90-Q101 PolarHBondContact O-NE2 2.68Å; S98-Q101 PolarHBondContact O-NE2 3.34Å; Q101-W126 HydrophobicContact CB-CD2 4.39Å; Q101-W126 HydrophobicContact CB-CZ2 3.9Å; Q101-W126 PolarHBondContact N-O 3.21Å; Q101-W126 PolarHBondContact O-N 3.32Å; Q101-V128 HydrophobicContact CB-CG2 3.81Å; Q101-V128 HydrophobicContact CG-CB 3.75Å; Q101-V128 HydrophobicContact CG-CG1 4.2Å; Q101-V128 HydrophobicContact CG-CG2 3.21Å
102	V	64.6	Low	61.9	Low	6 Å²	6	67.9 Å²	67.9	4%	0.036	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131	-177	-37.3	0	0	0	0	105.5	E90 I100 L104 K117	E90-V102 HydrophobicContact CG-CG2 3.95Å; E90-V102 WeakPolarHBondContact OE1-CG2 3.35Å; I100-V102 HydrophobicContact CG2-CG1 4Å; V102-L104 PolarHBondContact O-N 2.79Å; V102-K117 HydrophobicContact CG1-CB 3.92Å; V102-K117 WeakPolarHBondContact CG1-O 3.43Å
103	G	54.1	Low	59.9	Low	3 Å²	3	69.3 Å²	69.3	3%	0.031	36%	0.358	C	S	.	.			trans	-72.9	118.1	176.3	0	0	0	0	0	110.2	H119	G103-H119 WeakPolarHBondContact CA-CD2 3.39Å; G103-H119 WeakPolarHBondContact O-CA 3.46Å
104	L	45.5	Very low	57.9	Low	52 Å²	52	65.7 Å²	65.7	27%	0.272	35%	0.351	S	S	.	.			trans	-71.1	132.3	171	-78.2	154.9	0	0	0	110.4	V88 V102	V88-L104 HydrophobicContact CB-CB 4.2Å; V88-L104 HydrophobicContact CB-CD1 4.19Å; V88-L104 HydrophobicContact CG1-CD1 4.03Å; V102-L104 PolarHBondContact O-N 2.79Å
105	C	35.9	Very low	56	Low	34 Å²	34	64.7 Å²	64.7	23%	0.23	35%	0.353	C	S	.	.			trans	-115.6	115.7	153.9	-159.1	0	0	0	0	104.4	S84 H107	S84-C105 PolarHBondContact O-SG 3.26Å; C105-H107 VanDerWaalsContact C-N 3.28Å; C105-H107 PolarHBondContact O-N 3.42Å; C105-H107 VanDerWaalsContact O-N 3.1Å
106	S	34.6	Very low	54.6	Low	70 Å²	70	70.5 Å²	70.5	49%	0.49	38%	0.379	S	S	.	.	S	Bend	trans	-75.9	10.5	-159.1	-52.7	0	0	0	0	116.8
107	H	38.7	Very low	53.2	Low	150 Å²	150	77 Å²	77	69%	0.694	41%	0.405	S	S	*	.			trans	-144.2	58.3	-169.6	-66.2	-76.6	0	0	0	115	C105	C105-H107 VanDerWaalsContact C-N 3.28Å; C105-H107 PolarHBondContact O-N 3.42Å; C105-H107 VanDerWaalsContact O-N 3.1Å
108	I	39.3	Very low	51.8	Low	67 Å²	67	77.2 Å²	77.2	34%	0.344	41%	0.407	S	S	.	.			trans	-130.2	118.1	168.3	-60	176.5	0	0	0	109.3	K120	I108-K120 HydrophobicContact CD1-CD 3.83Å
109	P	41.5	Very low	50.4	Low	101 Å²	101	77.5 Å²	77.5	66%	0.656	41%	0.407	S	S	*	.			trans	-56.1	142	177.3	-23.1	32.4	0	0	0	113	L111	P109-L111 PolarHBondContact O-N 3.02Å
110	E	39.2	Very low	48.9	Very low	183 Å²	183	81 Å²	81	86%	0.855	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-57.2	-10.7	-174.6	-73.5	-173.8	138.6	0	0	115.9	F112	E110-F112 VanDerWaalsContact C-N 3.3Å; E110-F112 PolarHBondContact O-N 3.38Å
111	L	44.6	Very low	47.5	Very low	168 Å²	168	84.1 Å²	84.1	88%	0.88	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-75.7	-8.3	-168	-71	164.1	0	0	0	115.2	P109	P109-L111 PolarHBondContact O-N 3.02Å
112	F	46.4	Very low	46.6	Very low	112 Å²	112	86.1 Å²	86.1	49%	0.491	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-102.6	-23.5	-171.8	-143.1	-105.9	0	0	0	115.2	E110	E110-F112 VanDerWaalsContact C-N 3.3Å; E110-F112 PolarHBondContact O-N 3.38Å
113	Y	44.7	Very low	46.1	Very low	106 Å²	106	85.9 Å²	85.9	42%	0.416	45%	0.453	S	S	.	.			trans	-155.9	89.7	175.7	-85	-82.8	0	0	0	110.4	S115 F116	Y113-S115 PolarHBondContact O-N 2.79Å; Y113-F116 AromaticContact CD1-CD2 3.56Å; Y113-F116 HydrophobicContact CD1-CD2 3.56Å; Y113-F116 HydrophobicContact CD1-CE2 4.01Å; Y113-F116 HydrophobicContact CD1-CG 4.41Å; Y113-F116 HydrophobicContact CE1-CD2 4.24Å; Y113-F116 HydrophobicContact CE1-CE2 4.38Å; Y113-F116 HydrophobicContact CG-CD2 4.39Å
114	P	42.2	Very low	46.5	Very low	121 Å²	121	87.6 Å²	87.6	79%	0.786	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	16.6	-176.3	26.7	-33.7	0	0	0	114.5
115	S	42.6	Very low	47.5	Very low	94 Å²	94	85.2 Å²	85.2	66%	0.657	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.6	6.7	-169.4	-40.1	0	0	0	0	117.9	Y113	Y113-S115 PolarHBondContact O-N 2.79Å
116	F	49.8	Very low	49.3	Very low	123 Å²	123	85.9 Å²	85.9	54%	0.539	44%	0.444	S	S	.	.			trans	-120.6	105.7	-174.9	-71.5	-90.1	0	0	0	113.3	Y113	Y113-F116 AromaticContact CD1-CD2 3.56Å; Y113-F116 HydrophobicContact CD1-CD2 3.56Å; Y113-F116 HydrophobicContact CD1-CE2 4.01Å; Y113-F116 HydrophobicContact CD1-CG 4.41Å; Y113-F116 HydrophobicContact CE1-CD2 4.24Å; Y113-F116 HydrophobicContact CE1-CE2 4.38Å; Y113-F116 HydrophobicContact CG-CD2 4.39Å
117	K	55.7	Low	51.3	Low	151 Å²	151	82.7 Å²	82.7	66%	0.657	42%	0.422	S	S	*	.			trans	-97.2	72.6	175.1	-51.3	-176.3	177.7	-165.5	0	109.7	V102 C125	V102-K117 HydrophobicContact CG1-CB 3.92Å; V102-K117 WeakPolarHBondContact CG1-O 3.43Å; K117-C125 PolarHBondContact O-SG 2.94Å
118	C	55	Low	53.2	Low	14 Å²	14	75.9 Å²	75.9	10%	0.095	39%	0.391	C	S	.	.	S	Bend	trans	-130.7	161.7	168.6	-67.8	0	0	0	0	109.4	K120 G123 C125	C118-K120 PolarHBondContact O-N 3.26Å; C118-G123 VanDerWaalsContact CB-O 3.28Å; C118-G123 WeakPolarHBondContact CB-O 3.31Å; C118-C125 WeakPolarHBondContact CA-SG 3.35Å; C118-C125 HydrophobicContact CB-CB 4.17Å; C118-C125 WeakPolarHBondContact CB-SG 3.19Å; C118-C125 WeakPolarHBondContact SG-CB 3.28Å; C118-C125 CovalentContact SG-SG 2.03Å; C118-C125 PolarHBondContact SG-SG 2.98Å
119	H	54.9	Low	55	Low	20 Å²	20	75.2 Å²	75.2	9%	0.093	39%	0.39	C	S	.	.			trans	-50.3	108.7	177.7	-168	-66.3	0	0	0	110.5	G103 S121 T122 G123 Y124	G103-H119 WeakPolarHBondContact CA-CD2 3.39Å; G103-H119 WeakPolarHBondContact O-CA 3.46Å; H119-S121 VanDerWaalsContact C-N 3.29Å; H119-S121 PolarHBondContact CE1-OG 3.22Å; H119-S121 PolarHBondContact ND1-OG 3.39Å; H119-S121 PolarHBondContact O-N 3Å; H119-T122 VanDerWaalsContact CB-OG1 3.32Å; H119-T122 WeakPolarHBondContact CB-OG1 3.38Å; H119-T122 PolarHBondContact ND1-N 2.99Å; H119-T122 PolarHBondContact ND1-OG1 3.38Å; H119-T122 VanDerWaalsContact ND1-OG1 3.1Å; H119-T122 PolarHBondContact O-N 3.4Å; H119-G123 WeakPolarHBondContact O-CA 3.42Å; H119-G123 PolarHBondContact O-N 2.84Å; H119-Y124 WeakPolarHBondContact CB-O 3.49Å; H119-Y124 PolarHBondContact N-O 3.02Å
120	K	48.2	Very low	56.8	Low	105 Å²	105	74.3 Å²	74.3	46%	0.457	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.5	-164.1	-65.5	-174.7	-176.2	173.6	0	113.9	I108 C118	I108-K120 HydrophobicContact CD1-CD 3.83Å; C118-K120 PolarHBondContact O-N 3.26Å
121	S	46.3	Very low	58.3	Low	84 Å²	84	67 Å²	67	59%	0.587	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.7	178.1	62.9	0	0	0	0	115.5	H119	H119-S121 VanDerWaalsContact C-N 3.29Å; H119-S121 PolarHBondContact CE1-OG 3.22Å; H119-S121 PolarHBondContact ND1-OG 3.39Å; H119-S121 PolarHBondContact O-N 3Å
122	T	55	Low	59.7	Low	45 Å²	45	60 Å²	60	28%	0.276	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-15.2	-178.2	66.8	0	0	0	0	112.4	H119 Y124 R141	H119-T122 VanDerWaalsContact CB-OG1 3.32Å; H119-T122 WeakPolarHBondContact CB-OG1 3.38Å; H119-T122 PolarHBondContact ND1-N 2.99Å; H119-T122 PolarHBondContact ND1-OG1 3.38Å; H119-T122 VanDerWaalsContact ND1-OG1 3.1Å; H119-T122 PolarHBondContact O-N 3.4Å; T122-Y124 WeakPolarHBondContact O-CD2 3.35Å; T122-Y124 WeakPolarHBondContact O-CE2 3.25Å; T122-Y124 PolarHBondContact O-N 3.2Å; T122-R141 VanDerWaalsContact O-CZ 3.25Å; T122-R141 PolarHBondContact O-NE 2.93Å; T122-R141 PolarHBondContact O-NH1 3.24Å
123	G	54.3	Low	60.7	Low	1 Å²	1	61.4 Å²	61.4	1%	0.01	33%	0.326	C	S	.	.			trans	77.3	-5.8	-175.1	0	0	0	0	0	114.8	C118 H119 R141 F142	C118-G123 VanDerWaalsContact CB-O 3.28Å; C118-G123 WeakPolarHBondContact CB-O 3.31Å; H119-G123 WeakPolarHBondContact O-CA 3.42Å; H119-G123 PolarHBondContact O-N 2.84Å; G123-R141 CarbonylContact O-C 3.44Å; G123-R141 WeakPolarHBondContact O-CA 3.47Å; G123-F142 PolarHBondContact O-N 3.02Å
124	Y	62	Low	61.7	Low	39 Å²	39	60.2 Å²	60.2	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141	-169.8	-69.7	-87.4	0	0	0	113.8	H119 T122 N140 R141 A281	H119-Y124 WeakPolarHBondContact CB-O 3.49Å; H119-Y124 PolarHBondContact N-O 3.02Å; T122-Y124 WeakPolarHBondContact O-CD2 3.35Å; T122-Y124 WeakPolarHBondContact O-CE2 3.25Å; T122-Y124 PolarHBondContact O-N 3.2Å; Y124-N140 CarbonylContact C-O 3.59Å; Y124-N140 WeakPolarHBondContact CA-O 3Å; Y124-R141 HydrophobicContact CD1-CB 4.15Å; Y124-R141 HydrophobicContact CE1-CB 4.01Å; Y124-R141 HydrophobicContact CE2-CG 4.43Å; Y124-R141 VanDerWaalsContact CE2-NH2 3.26Å; Y124-R141 PolarHBondContact OH-NE 3.1Å; Y124-R141 PolarHBondContact OH-NH2 3.2Å; Y124-A281 HydrophobicContact CD2-CB 3.94Å; Y124-A281 HydrophobicContact CE2-CB 3.7Å
125	C	66.4	Low	62.8	Low	1 Å²	1	57.1 Å²	57.1	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.6	164.3	-81.3	0	0	0	0	108.3	I100 K117 C118 S139 N140 P145	I100-C125 HydrophobicContact CG2-CB 4.41Å; K117-C125 PolarHBondContact O-SG 2.94Å; C118-C125 WeakPolarHBondContact CA-SG 3.35Å; C118-C125 HydrophobicContact CB-CB 4.17Å; C118-C125 WeakPolarHBondContact CB-SG 3.19Å; C118-C125 WeakPolarHBondContact SG-CB 3.28Å; C118-C125 CovalentContact SG-SG 2.03Å; C118-C125 PolarHBondContact SG-SG 2.98Å; C125-S139 CarbonylContact O-C 3.56Å; C125-S139 VanDerWaalsContact O-CA 3.29Å; C125-S139 WeakPolarHBondContact O-CA 3.34Å; C125-N140 PolarHBondContact N-O 3.28Å; C125-N140 PolarHBondContact O-N 3.35Å; C125-P145 VanDerWaalsContact CB-CD 3.46Å; C125-P145 HydrophobicContact CB-CG 4.07Å
126	W	74.4	Confident	63.2	Low	48 Å²	48	57.6 Å²	57.6	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.8	173.6	60.2	93.7	0	0	0	111.3	F87 I100 Q101 V128 S139	F87-W126 AromaticContact CD2-CH2 3.89Å; F87-W126 HydrophobicContact CD2-CH2 3.89Å; F87-W126 HydrophobicContact CD2-CZ2 4.12Å; F87-W126 AromaticContact CE2-CH2 3.57Å; F87-W126 HydrophobicContact CE2-CH2 3.57Å; F87-W126 AromaticContact CE2-CZ2 3.47Å; F87-W126 HydrophobicContact CE2-CZ2 3.47Å; F87-W126 VanDerWaalsContact CE2-CZ2 3.47Å; F87-W126 HydrophobicContact CZ-CH2 4.36Å; F87-W126 AromaticContact CZ-CZ2 3.8Å; F87-W126 HydrophobicContact CZ-CZ2 3.8Å; I100-W126 WeakPolarHBondContact CA-O 3.05Å; Q101-W126 HydrophobicContact CB-CD2 4.39Å; Q101-W126 HydrophobicContact CB-CZ2 3.9Å; Q101-W126 PolarHBondContact N-O 3.21Å; Q101-W126 PolarHBondContact O-N 3.32Å; W126-V128 HydrophobicContact CG-CG2 4.48Å; W126-V128 VanDerWaalsContact NE1-CG2 3.34Å; W126-S139 WeakPolarHBondContact CB-OG 3.25Å
127	C	76.9	Confident	63.5	Low	4 Å²	4	54.7 Å²	54.7	3%	0.027	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	146.6	174.8	-58.2	0	0	0	0	110.7	S99 V135 T138 C147	S99-C127 CarbonylContact O-C 3.49Å; S99-C127 WeakPolarHBondContact O-CA 3.22Å; C127-V135 HydrophobicContact CB-CB 3.95Å; C127-V135 HydrophobicContact CB-CG2 3.93Å; C127-V135 PolarHBondContact O-N 2.03Å; C127-T138 HydrophobicContact CB-CG2 3.82Å; C127-T138 WeakPolarHBondContact CB-OG1 3.42Å; C127-T138 PolarHBondContact N-OG1 3.02Å; C127-T138 VanDerWaalsContact SG-CB 3.57Å; C127-C147 WeakPolarHBondContact CA-SG 3.29Å; C127-C147 HydrophobicContact CB-CB 3.85Å; C127-C147 WeakPolarHBondContact CB-SG 3.34Å; C127-C147 WeakPolarHBondContact SG-CA 3.08Å; C127-C147 WeakPolarHBondContact SG-CB 3.26Å; C127-C147 PolarHBondContact SG-N 3.1Å; C127-C147 CovalentContact SG-SG 2.02Å; C127-C147 PolarHBondContact SG-SG 3.35Å
128	V	77.6	Confident	63.9	Low	7 Å²	7	48.6 Å²	48.6	4%	0.042	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-135.5	143.2	179.3	-177.8	0	0	0	0	109.7	F97 S99 Q101 W126 G132 K133 Q150	F97-V128 HydrophobicContact CB-CG1 4.16Å; S99-V128 PolarHBondContact O-N 3.34Å; Q101-V128 HydrophobicContact CB-CG2 3.81Å; Q101-V128 HydrophobicContact CG-CB 3.75Å; Q101-V128 HydrophobicContact CG-CG1 4.2Å; Q101-V128 HydrophobicContact CG-CG2 3.21Å; W126-V128 HydrophobicContact CG-CG2 4.48Å; W126-V128 VanDerWaalsContact NE1-CG2 3.34Å; V128-G132 VanDerWaalsContact CG1-O 3.3Å; V128-G132 WeakPolarHBondContact CG1-O 3Å; V128-K133 WeakPolarHBondContact CA-O 3.27Å; V128-K133 WeakPolarHBondContact CG1-O 3.31Å; V128-Q150 PolarHBondContact O-NE2 3.26Å
129	T	77	Confident	64.3	Low	53 Å²	53	49.8 Å²	49.8	33%	0.325	30%	0.3	S	S	.	.			trans	-69.1	162.5	172.7	62	0	0	0	0	110.5	S131 G132 K133 V135	T129-S131 PolarHBondContact O-N 3.01Å; T129-S131 PolarHBondContact OG1-OG 2.81Å; T129-G132 PolarHBondContact O-N 2.71Å; T129-K133 HydrophobicContact CG2-CB 4.48Å; T129-K133 PolarHBondContact N-O 2.95Å; T129-K133 WeakPolarHBondContact OG1-CB 3.41Å; T129-K133 PolarHBondContact OG1-N 2.78Å; T129-K133 VanDerWaalsContact OG1-N 3.12Å; T129-K133 PolarHBondContact OG1-O 3.44Å; T129-V135 HydrophobicContact CG2-CG2 4.24Å
130	T	80	Confident	64.3	Low	82 Å²	82	51.4 Å²	51.4	50%	0.503	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.1	175.1	51.3	0	0	0	0	113.2	F97 Q150	F97-T130 PolarHBondContact N-O 3.26Å; T130-Q150 HydrophobicContact CG2-CB 4.23Å; T130-Q150 HydrophobicContact CG2-CG 4.16Å
131	S	70.4	Confident	64.7	Low	30 Å²	30	50.2 Å²	50.2	21%	0.21	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.3	176.5	74.2	0	0	0	0	115.6	R66 T129	R66-S131 PolarHBondContact NH1-O 3.16Å; T129-S131 PolarHBondContact O-N 3.01Å; T129-S131 PolarHBondContact OG1-OG 2.81Å
132	G	74.7	Confident	65	Low	20 Å²	20	49.1 Å²	49.1	21%	0.206	29%	0.286	C	S	.	.	S	Bend	trans	87.8	-0.1	-179.3	0	0	0	0	0	115.1	V128 T129	V128-G132 VanDerWaalsContact CG1-O 3.3Å; V128-G132 WeakPolarHBondContact CG1-O 3Å; T129-G132 PolarHBondContact O-N 2.71Å
133	K	67.3	Low	65.2	Low	142 Å²	142	53 Å²	53	62%	0.617	30%	0.299	S	S	*	.			trans	-76.8	126.2	177.3	-62.9	179.3	-178.9	176.7	0	111.2	V128 T129	V128-K133 WeakPolarHBondContact CA-O 3.27Å; V128-K133 WeakPolarHBondContact CG1-O 3.31Å; T129-K133 HydrophobicContact CG2-CB 4.48Å; T129-K133 PolarHBondContact N-O 2.95Å; T129-K133 WeakPolarHBondContact OG1-CB 3.41Å; T129-K133 PolarHBondContact OG1-N 2.78Å; T129-K133 VanDerWaalsContact OG1-N 3.12Å; T129-K133 PolarHBondContact OG1-O 3.44Å
134	P	64.4	Low	65.7	Low	81 Å²	81	60.4 Å²	60.4	53%	0.526	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-65.2	139.3	178	27.3	-33.8	0	0	0	111.3	P136	P134-P136 WeakPolarHBondContact O-CD 3.38Å
135	V	64.9	Low	66.1	Low	56 Å²	56	58.8 Å²	58.8	34%	0.339	33%	0.325	S	S	.	.			trans	-85.3	115.9	176.1	-175	0	0	0	0	108.2	C127 T129 T138	C127-V135 HydrophobicContact CB-CB 3.95Å; C127-V135 HydrophobicContact CB-CG2 3.93Å; C127-V135 PolarHBondContact O-N 2.03Å; T129-V135 HydrophobicContact CG2-CG2 4.24Å; V135-T138 HydrophobicContact CB-CG2 3.75Å; V135-T138 HydrophobicContact CG1-CG2 3.55Å; V135-T138 PolarHBondContact O-N 3.05Å; V135-T138 PolarHBondContact O-OG1 2.85Å
136	P	52.1	Low	66.3	Low	103 Å²	103	64.2 Å²	64.2	67%	0.669	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	144.9	-179.9	-25.2	35.3	0	0	0	112.4	P134 T138	P134-P136 WeakPolarHBondContact O-CD 3.38Å; P136-T138 PolarHBondContact O-N 3.19Å
137	G	55.5	Low	66.3	Low	63 Å²	63	63.5 Å²	63.5	65%	0.649	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-1.5	177.7	0	0	0	0	0	115.9
138	T	63.9	Low	66.2	Low	22 Å²	22	70.8 Å²	70.8	14%	0.135	40%	0.403	C	S	.	.			trans	-93.8	-4.5	-178	65.9	0	0	0	0	114.1	C127 V135 P136 N140 P145	C127-T138 HydrophobicContact CB-CG2 3.82Å; C127-T138 WeakPolarHBondContact CB-OG1 3.42Å; C127-T138 PolarHBondContact N-OG1 3.02Å; C127-T138 VanDerWaalsContact SG-CB 3.57Å; V135-T138 HydrophobicContact CB-CG2 3.75Å; V135-T138 HydrophobicContact CG1-CG2 3.55Å; V135-T138 PolarHBondContact O-N 3.05Å; V135-T138 PolarHBondContact O-OG1 2.85Å; P136-T138 PolarHBondContact O-N 3.19Å; T138-N140 PolarHBondContact O-N 3.07Å; T138-N140 PolarHBondContact O-ND2 3.49Å; T138-P145 WeakPolarHBondContact O-CB 3.14Å
139	S	63.4	Low	65.4	Low	40 Å²	40	74.9 Å²	74.9	28%	0.28	43%	0.43	S	S	.	.			trans	-69.1	112.7	-179.9	-61.6	0	0	0	0	111.8	C125 W126 N279	C125-S139 CarbonylContact O-C 3.56Å; C125-S139 VanDerWaalsContact O-CA 3.29Å; C125-S139 WeakPolarHBondContact O-CA 3.34Å; W126-S139 WeakPolarHBondContact CB-OG 3.25Å; S139-N279 WeakPolarHBondContact CB-ND2 3.18Å; S139-N279 PolarHBondContact OG-ND2 3.22Å
140	N	56.5	Low	64.4	Low	53 Å²	53	75.9 Å²	75.9	28%	0.283	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.1	178.9	-75.3	-81.4	0	0	0	110.4	Y124 C125 T138 K143 P145	Y124-N140 CarbonylContact C-O 3.59Å; Y124-N140 WeakPolarHBondContact CA-O 3Å; C125-N140 PolarHBondContact N-O 3.28Å; C125-N140 PolarHBondContact O-N 3.35Å; T138-N140 PolarHBondContact O-N 3.07Å; T138-N140 PolarHBondContact O-ND2 3.49Å; N140-K143 HydrophobicContact CB-CB 4.2Å; N140-K143 WeakPolarHBondContact CB-O 3.27Å; N140-P145 WeakPolarHBondContact ND2-CB 3.45Å
141	R	55.1	Low	62.9	Low	81 Å²	81	75.9 Å²	75.9	31%	0.306	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.8	174.3	-161.7	-170.4	-80.7	-126	3.3	110.1	T122 G123 Y124 K143 S468 S472	T122-R141 VanDerWaalsContact O-CZ 3.25Å; T122-R141 PolarHBondContact O-NE 2.93Å; T122-R141 PolarHBondContact O-NH1 3.24Å; G123-R141 CarbonylContact O-C 3.44Å; G123-R141 WeakPolarHBondContact O-CA 3.47Å; Y124-R141 HydrophobicContact CD1-CB 4.15Å; Y124-R141 HydrophobicContact CE1-CB 4.01Å; Y124-R141 HydrophobicContact CE2-CG 4.43Å; Y124-R141 VanDerWaalsContact CE2-NH2 3.26Å; Y124-R141 PolarHBondContact OH-NE 3.1Å; Y124-R141 PolarHBondContact OH-NH2 3.2Å; R141-K143 PolarHBondContact O-N 3.49Å; R141-S468 PolarHBondContact NH1-OG 2.04Å; R141-S468 VanDerWaalsContact NH1-OG 3.08Å; R141-S472 PolarHBondContact NH1-OG 2.81Å; R141-S472 PolarHBondContact NH2-OG 3.47Å
142	F	53.8	Low	61.3	Low	61 Å²	61	82.8 Å²	82.8	27%	0.268	47%	0.474	S	S	.	.	S	Bend	trans	54.6	22.7	178.9	-49.1	-58.5	0	0	0	114.7	G123 F464 S468	G123-F142 PolarHBondContact O-N 3.02Å; F142-F464 HydrophobicContact CD1-CE1 4.27Å; F142-F464 AromaticContact CE1-CE1 3.58Å; F142-F464 HydrophobicContact CE1-CE1 3.58Å; F142-F464 AromaticContact CE1-CZ 3.98Å; F142-F464 HydrophobicContact CE1-CZ 3.98Å; F142-F464 HydrophobicContact CE2-CE1 4.15Å; F142-F464 AromaticContact CZ-CE1 3.52Å; F142-F464 HydrophobicContact CZ-CE1 3.52Å; F142-F464 HydrophobicContact CZ-CZ 4.07Å; F142-S468 WeakPolarHBondContact CE2-OG 3.09Å
143	K	59.2	Low	59.6	Low	126 Å²	126	88.7 Å²	88.7	55%	0.548	51%	0.505	S	S	.	.	S	Bend	trans	-143	136.3	-178.3	-176.6	-174.7	176.9	-168.7	0	110	N140 R141 P145	N140-K143 HydrophobicContact CB-CB 4.2Å; N140-K143 WeakPolarHBondContact CB-O 3.27Å; R141-K143 PolarHBondContact O-N 3.49Å; K143-P145 WeakPolarHBondContact O-CD 3.29Å
144	K	65	Low	57.9	Low	156 Å²	156	84.8 Å²	84.8	68%	0.678	51%	0.505	S	S	*	.			trans	-63.1	122.8	171.7	-167.6	-179.7	-178	178.6	0	109.4	I100	I100-K144 HydrophobicContact CD1-CD 3.97Å; I100-K144 HydrophobicContact CD1-CG 3.61Å
145	P	68.8	Low	56.4	Low	5 Å²	5	93.1 Å²	93.1	3%	0.032	53%	0.526	C	S	.	.			trans	-74.4	148.3	179.4	32.8	-36.8	0	0	0	110.4	I100 C125 T138 N140 K143 C147	I100-P145 HydrophobicContact CG1-CG 4.17Å; I100-P145 HydrophobicContact CG2-CG 4.19Å; C125-P145 VanDerWaalsContact CB-CD 3.46Å; C125-P145 HydrophobicContact CB-CG 4.07Å; T138-P145 WeakPolarHBondContact O-CB 3.14Å; N140-P145 WeakPolarHBondContact ND2-CB 3.45Å; K143-P145 WeakPolarHBondContact O-CD 3.29Å; P145-C147 PolarHBondContact O-N 3.18Å
146	S	72.3	Confident	55.2	Low	115 Å²	115	101.9 Å²	101.9	80%	0.804	55%	0.553	S	S	*	*			trans	-78.6	85.3	177.8	-64.1	0	0	0	0	109.8
147	C	73.8	Confident	54.3	Low	33 Å²	33	102.2 Å²	102.2	22%	0.223	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-83.3	135.5	176.9	-49.1	0	0	0	0	110.4	S99 I100 C127 P145	S99-C147 PolarHBondContact O-SG 2.66Å; I100-C147 HydrophobicContact CG1-CB 4.39Å; I100-C147 WeakPolarHBondContact CG1-SG 3.28Å; C127-C147 WeakPolarHBondContact CA-SG 3.29Å; C127-C147 HydrophobicContact CB-CB 3.85Å; C127-C147 WeakPolarHBondContact CB-SG 3.34Å; C127-C147 WeakPolarHBondContact SG-CA 3.08Å; C127-C147 WeakPolarHBondContact SG-CB 3.26Å; C127-C147 PolarHBondContact SG-N 3.1Å; C127-C147 CovalentContact SG-SG 2.02Å; C127-C147 PolarHBondContact SG-SG 3.35Å; P145-C147 PolarHBondContact O-N 3.18Å
148	L	74.2	Confident	53.6	Low	157 Å²	157	104.5 Å²	104.5	82%	0.822	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-62.4	135.3	171.7	-66.8	170.7	0	0	0	108.9	Q150	L148-Q150 PolarHBondContact O-N 2.86Å; L148-Q150 VanDerWaalsContact O-N 3.1Å
149	P	60.6	Low	52.5	Low	94 Å²	94	109.1 Å²	109.1	61%	0.61	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.6	119.1	177.1	-24.3	32.7	0	0	0	110.6	G151 K152	P149-G151 PolarHBondContact O-N 2.9Å; P149-K152 PolarHBondContact O-N 2.69Å
150	Q	56.7	Low	51.3	Low	73 Å²	73	113.1 Å²	113.1	34%	0.341	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.6	118.9	173.9	-66.6	177.7	-26.4	0	0	107.6	F97 V128 T130 L148	F97-Q150 PolarHBondContact O-NE2 3.04Å; V128-Q150 PolarHBondContact O-NE2 3.26Å; T130-Q150 HydrophobicContact CG2-CB 4.23Å; T130-Q150 HydrophobicContact CG2-CG 4.16Å; L148-Q150 PolarHBondContact O-N 2.86Å; L148-Q150 VanDerWaalsContact O-N 3.1Å
151	G	47.7	Very low	50.5	Low	82 Å²	82	119.1 Å²	119.1	85%	0.845	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.6	0.5	177.2	0	0	0	0	0	117.7	P149	P149-G151 PolarHBondContact O-N 2.9Å
152	K	38.2	Very low	49.4	Very low	176 Å²	176	125.5 Å²	125.5	77%	0.765	68%	0.678	S	S	*	*			trans	-117.7	68.1	167.1	-69.5	-173.9	-177.3	177.7	0	111.2	P149 G154	P149-K152 PolarHBondContact O-N 2.69Å; K152-G154 VanDerWaalsContact C-N 3.34Å; K152-G154 PolarHBondContact O-N 3.05Å; K152-G154 VanDerWaalsContact O-N 3.09Å
153	V	37.6	Very low	48.4	Very low	143 Å²	143	124.9 Å²	124.9	87%	0.867	69%	0.689	S	S	*	*			trans	-62.4	109.2	147	-177.8	0	0	0	0	104.3	R155	V153-R155 PolarHBondContact O-N 3.38Å; V153-R155 VanDerWaalsContact O-N 3.1Å
154	G	32.4	Very low	47.1	Very low	60 Å²	60	129.9 Å²	129.9	62%	0.619	70%	0.704	S	S	*	*			trans	-47.8	123.8	-179	0	0	0	0	0	109.6	K152 R156	K152-G154 VanDerWaalsContact C-N 3.34Å; K152-G154 PolarHBondContact O-N 3.05Å; K152-G154 VanDerWaalsContact O-N 3.09Å; G154-R156 PolarHBondContact O-N 3.18Å
155	R	32.3	Very low	45.8	Very low	257 Å²	257	127.9 Å²	127.9	97%	0.97	71%	0.71	S	S	*	*			trans	-50.3	92.4	164.9	-79.3	178.9	173.8	175.1	-3.1	107.8	V153	V153-R155 PolarHBondContact O-N 3.38Å; V153-R155 VanDerWaalsContact O-N 3.1Å
156	R	40.1	Very low	44.8	Very low	239 Å²	239	135 Å²	135	90%	0.902	75%	0.748	S	S	*	*			trans	-103	116.2	152.8	-85.3	-173	177.4	-179.4	-0.4	105.8	G154 S158	G154-R156 PolarHBondContact O-N 3.18Å; R156-S158 PolarHBondContact O-N 3.45Å
157	S	33.5	Very low	44.1	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	73%	0.734	S	S	*	*			trans	-39.6	124.6	172.3	178.2	0	0	0	0	111.6
158	S	40.7	Very low	43.9	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	75%	0.745	S	S	*	*			trans	-150.1	87.3	140.2	66.5	0	0	0	0	107.6	R156 T160	R156-S158 PolarHBondContact O-N 3.45Å; S158-T160 PolarHBondContact O-N 3Å
159	T	41.4	Very low	44	Very low	119 Å²	119	125.8 Å²	125.8	73%	0.73	71%	0.708	S	S	*	*			trans	-33.6	121.7	151.3	-57.5	0	0	0	0	110.4
160	T	37.4	Very low	44.7	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	70%	0.698	S	S	*	*			trans	45.2	84.7	145.2	-24.1	0	0	0	0	117.3	S158	S158-T160 PolarHBondContact O-N 3Å
161	Q	39.3	Very low	45.2	Very low	179 Å²	179	125.1 Å²	125.1	84%	0.836	71%	0.711	S	S	*	*			trans	-150.4	100.2	137.2	-74.4	-158.4	-8.1	0	0	109.4	G163	Q161-G163 VanDerWaalsContact C-N 3.27Å; Q161-G163 PolarHBondContact O-N 2.85Å
162	M	33.1	Very low	46.1	Very low	214 Å²	214	124.3 Å²	124.3	100%	1.054	70%	0.696	S	S	*	*			trans	-62.1	97.6	152	-94.8	-175	128.6	0	0	106.7
163	G	32.5	Very low	47.8	Very low	49 Å²	49	122 Å²	122	51%	0.505	68%	0.684	S	S	.	*	S	Bend	trans	169.6	113.9	179	0	0	0	0	0	112.6	Q161	Q161-G163 VanDerWaalsContact C-N 3.27Å; Q161-G163 PolarHBondContact O-N 2.85Å
164	R	32.3	Very low	49.6	Very low	230 Å²	230	119.7 Å²	119.7	87%	0.868	66%	0.66	S	S	*	*			trans	54.9	83.8	157.6	-69	173.8	155.5	165	-6	117.9	N166	R164-N166 PolarHBondContact O-N 3.23Å
165	S	37.4	Very low	51.6	Low	115 Å²	115	120.6 Å²	120.6	80%	0.804	66%	0.656	S	S	*	*			trans	-95.2	68.3	151.7	64.3	0	0	0	0	111	G167	S165-G167 PolarHBondContact O-N 2.97Å
166	N	46.7	Very low	53.8	Low	153 Å²	153	111.7 Å²	111.7	82%	0.818	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	104.9	165.7	-85.9	-14.7	0	0	0	109.3	R164	R164-N166 PolarHBondContact O-N 3.23Å
167	G	58	Low	56	Low	50 Å²	50	100.3 Å²	100.3	52%	0.515	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	113.2	16.3	154.1	0	0	0	0	0	119.5	S165 A248	S165-G167 PolarHBondContact O-N 2.97Å; G167-A248 VanDerWaalsContact O-CB 3.31Å; G167-A248 WeakPolarHBondContact O-CB 3.05Å
168	A	68.8	Low	58.4	Low	55 Å²	55	95.9 Å²	95.9	46%	0.455	56%	0.555	S	S	.	*			trans	-92.9	124.9	173.5	0	0	0	0	0	112.6	T170	A168-T170 PolarHBondContact O-N 3.43Å
169	C	76.5	Confident	60.4	Low	7 Å²	7	93.3 Å²	93.3	5%	0.047	54%	0.537	C	S	.	.			trans	-75.3	92.1	176.6	-178.1	0	0	0	0	111.6	R174 C249	C169-R174 PolarHBondContact O-NH2 2.98Å; C169-R174 WeakPolarHBondContact SG-CG 3.46Å; C169-C249 HydrophobicContact CB-CB 3.99Å; C169-C249 WeakPolarHBondContact CB-SG 3.4Å; C169-C249 WeakPolarHBondContact SG-CA 3.39Å; C169-C249 WeakPolarHBondContact SG-CB 3.08Å; C169-C249 CovalentContact SG-SG 2.03Å; C169-C249 PolarHBondContact SG-SG 3.07Å
170	T	76	Confident	62.6	Low	67 Å²	67	90 Å²	90	41%	0.411	52%	0.515	S	S	.	.			trans	-72.6	168	175.4	71.8	0	0	0	0	111.8	A168 A172 Y173 R174	A168-T170 PolarHBondContact O-N 3.43Å; T170-A172 VanDerWaalsContact C-N 3.3Å; T170-A172 PolarHBondContact O-N 3.09Å; T170-Y173 HydrophobicContact CG2-CD2 3.77Å; T170-Y173 HydrophobicContact CG2-CE2 4.07Å; T170-Y173 PolarHBondContact O-N 3.06Å; T170-Y173 WeakPolarHBondContact OG1-CD2 3.41Å; T170-Y173 PolarHBondContact OG1-N 3.44Å; T170-R174 WeakPolarHBondContact O-CG 3.41Å; T170-R174 PolarHBondContact O-N 3.42Å
171	S	67.6	Low	65.1	Low	87 Å²	87	84.1 Å²	84.1	61%	0.608	48%	0.479	S	S	*	.	H	α-helix	trans	-57.2	-41.6	176.4	-168.5	0	0	0	0	112.5	R174 S175	S171-R174 WeakPolarHBondContact O-CB 3.37Å; S171-R174 PolarHBondContact O-N 3.19Å; S171-S175 PolarHBondContact O-N 3.38Å; S171-S175 PolarHBondContact O-OG 2.96Å
172	A	65.7	Low	67.3	Low	65 Å²	65	76.7 Å²	76.7	54%	0.537	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-47.2	175.3	0	0	0	0	0	111.7	T170 R174 S175 T176	T170-A172 VanDerWaalsContact C-N 3.3Å; T170-A172 PolarHBondContact O-N 3.09Å; A172-R174 VanDerWaalsContact C-N 3.27Å; A172-R174 PolarHBondContact O-N 3.24Å; A172-S175 PolarHBondContact O-N 2.88Å; A172-S175 VanDerWaalsContact O-N 3.17Å; A172-T176 PolarHBondContact O-N 3.46Å; A172-T176 PolarHBondContact O-OG1 3.44Å
173	Y	75.4	Confident	69.8	Low	127 Å²	127	72.5 Å²	72.5	50%	0.498	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-32.9	175.7	-68.9	-51.6	0	0	0	112.5	T170 F177 P246 C249	T170-Y173 HydrophobicContact CG2-CD2 3.77Å; T170-Y173 HydrophobicContact CG2-CE2 4.07Å; T170-Y173 PolarHBondContact O-N 3.06Å; T170-Y173 WeakPolarHBondContact OG1-CD2 3.41Å; T170-Y173 PolarHBondContact OG1-N 3.44Å; Y173-F177 VanDerWaalsContact O-CB 3.25Å; Y173-F177 WeakPolarHBondContact O-CB 3.14Å; Y173-F177 PolarHBondContact O-N 3.27Å; Y173-P246 HydrophobicContact CD1-CG 3.94Å; Y173-P246 HydrophobicContact CG-CG 4.4Å; Y173-C249 VanDerWaalsContact C-SG 3.54Å
174	R	75.4	Confident	72.5	Confident	95 Å²	95	72 Å²	72	36%	0.358	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-46.9	172.1	-73.1	179.7	-170.9	126.9	3.8	111.6	C169 T170 S171 A172 T176 F177 I178	C169-R174 PolarHBondContact O-NH2 2.98Å; C169-R174 WeakPolarHBondContact SG-CG 3.46Å; T170-R174 WeakPolarHBondContact O-CG 3.41Å; T170-R174 PolarHBondContact O-N 3.42Å; S171-R174 WeakPolarHBondContact O-CB 3.37Å; S171-R174 PolarHBondContact O-N 3.19Å; A172-R174 VanDerWaalsContact C-N 3.27Å; A172-R174 PolarHBondContact O-N 3.24Å; R174-T176 VanDerWaalsContact C-N 3.34Å; R174-T176 PolarHBondContact O-N 3.01Å; R174-F177 WeakPolarHBondContact O-CB 3.45Å; R174-F177 PolarHBondContact O-N 3.18Å; R174-I178 WeakPolarHBondContact O-CG1 3.22Å; R174-I178 PolarHBondContact O-N 3.47Å
175	S	72.9	Confident	75.3	Confident	78 Å²	78	61 Å²	61	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-42.3	177.9	-61.5	0	0	0	0	112.1	S171 A172 I178 S179	S171-S175 PolarHBondContact O-N 3.38Å; S171-S175 PolarHBondContact O-OG 2.96Å; A172-S175 PolarHBondContact O-N 2.88Å; A172-S175 VanDerWaalsContact O-N 3.17Å; S175-I178 PolarHBondContact O-N 2.86Å; S175-S179 PolarHBondContact O-N 3.24Å
176	T	78.2	Confident	77.6	Confident	70 Å²	70	58.1 Å²	58.1	43%	0.429	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-45.9	174.4	-53.3	0	0	0	0	111.7	A172 R174 I178 S179 N180	A172-T176 PolarHBondContact O-N 3.46Å; A172-T176 PolarHBondContact O-OG1 3.44Å; R174-T176 VanDerWaalsContact C-N 3.34Å; R174-T176 PolarHBondContact O-N 3.01Å; T176-I178 PolarHBondContact O-N 3.22Å; T176-S179 PolarHBondContact O-N 2.87Å; T176-N180 PolarHBondContact O-N 3.47Å; T176-N180 PolarHBondContact O-ND2 3.36Å
177	F	87.7	Confident	79.4	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-49.6	176	171.2	-96.2	0	0	0	111.9	Y173 R174 S179 N180 L181 I240 V244 C249 A250 F253 F256	Y173-F177 VanDerWaalsContact O-CB 3.25Å; Y173-F177 WeakPolarHBondContact O-CB 3.14Å; Y173-F177 PolarHBondContact O-N 3.27Å; R174-F177 WeakPolarHBondContact O-CB 3.45Å; R174-F177 PolarHBondContact O-N 3.18Å; F177-S179 VanDerWaalsContact C-N 3.35Å; F177-S179 PolarHBondContact O-N 3.26Å; F177-N180 PolarHBondContact O-N 2.9Å; F177-L181 HydrophobicContact CE1-CD2 3.92Å; F177-L181 HydrophobicContact CZ-CD2 4.06Å; F177-L181 WeakPolarHBondContact O-CB 3.23Å; F177-L181 PolarHBondContact O-N 2.83Å; F177-I240 HydrophobicContact CE2-CG2 3.55Å; F177-I240 HydrophobicContact CZ-CG2 3.48Å; F177-I240 VanDerWaalsContact CZ-CG2 3.48Å; F177-V244 HydrophobicContact CD2-CG1 3.75Å; F177-V244 HydrophobicContact CE2-CB 4.14Å; F177-V244 HydrophobicContact CE2-CG1 3.67Å; F177-C249 HydrophobicContact CB-CB 3.62Å; F177-C249 HydrophobicContact CD1-CB 4.17Å; F177-C249 HydrophobicContact CD2-CB 3.78Å; F177-C249 HydrophobicContact CG-CB 3.55Å; F177-A250 HydrophobicContact CD2-CB 4.44Å; F177-A250 VanDerWaalsContact CE2-CA 3.44Å; F177-A250 HydrophobicContact CE2-CB 3.74Å; F177-F253 HydrophobicContact CE1-CB 3.87Å; F177-F253 AromaticContact CE1-CD2 3.44Å; F177-F253 HydrophobicContact CE1-CD2 3.44Å; F177-F253 VanDerWaalsContact CE1-CD2 3.44Å; F177-F253 HydrophobicContact CE1-CE2 4.18Å; F177-F253 AromaticContact CE1-CG 3.85Å; F177-F253 HydrophobicContact CE1-CG 3.85Å; F177-F253 HydrophobicContact CZ-CB 3.71Å; F177-F253 AromaticContact CZ-CD2 3.94Å; F177-F253 HydrophobicContact CZ-CD2 3.94Å; F177-F253 AromaticContact CZ-CG 3.86Å; F177-F253 HydrophobicContact CZ-CG 3.86Å; F177-F256 HydrophobicContact CD1-CE1 4.44Å; F177-F256 AromaticContact CD1-CZ 3.8Å; F177-F256 HydrophobicContact CD1-CZ 3.8Å; F177-F256 HydrophobicContact CE1-CE1 4.45Å; F177-F256 AromaticContact CE1-CZ 3.85Å; F177-F256 HydrophobicContact CE1-CZ 3.85Å
178	I	84	Confident	80.8	Confident	19 Å²	19	52.1 Å²	52.1	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-40.1	179.9	-67.7	-65.7	0	0	0	111.2	R174 S175 T176 N180 L181 I182 F253 F256 M274	R174-I178 WeakPolarHBondContact O-CG1 3.22Å; R174-I178 PolarHBondContact O-N 3.47Å; S175-I178 PolarHBondContact O-N 2.86Å; T176-I178 PolarHBondContact O-N 3.22Å; I178-N180 PolarHBondContact O-N 3.07Å; I178-L181 PolarHBondContact O-N 3.09Å; I178-I182 HydrophobicContact CG2-CD1 3.92Å; I178-I182 HydrophobicContact CG2-CG1 4.49Å; I178-I182 VanDerWaalsContact O-CG1 3.31Å; I178-I182 WeakPolarHBondContact O-CG1 3.43Å; I178-I182 PolarHBondContact O-N 3.36Å; I178-F253 HydrophobicContact CD1-CE2 4.27Å; I178-F256 HydrophobicContact CD1-CE2 4.05Å; I178-F256 HydrophobicContact CD1-CZ 4.22Å; I178-F256 HydrophobicContact CG1-CE2 4.48Å; I178-M274 HydrophobicContact CD1-SD 4.1Å; I178-M274 HydrophobicContact CG2-SD 4.35Å
179	S	81.3	Confident	81.7	Confident	56 Å²	56	51.1 Å²	51.1	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.2	-176.5	0	0	0	0	112.3	S175 T176 F177 L181 I182 K183	S175-S179 PolarHBondContact O-N 3.24Å; T176-S179 PolarHBondContact O-N 2.87Å; F177-S179 VanDerWaalsContact C-N 3.35Å; F177-S179 PolarHBondContact O-N 3.26Å; S179-L181 VanDerWaalsContact C-N 3.33Å; S179-L181 PolarHBondContact O-N 3.26Å; S179-I182 PolarHBondContact O-N 3.34Å; S179-K183 WeakPolarHBondContact O-CG 3.36Å; S179-K183 PolarHBondContact O-N 3.39Å; S179-K183 VanDerWaalsContact O-N 3.1Å
180	N	88.6	Confident	82	Confident	51 Å²	51	56.2 Å²	56.2	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-36.1	177	-69.3	-20.4	0	0	0	112	T176 F177 I178 K183 M184 V244 Q245	T176-N180 PolarHBondContact O-N 3.47Å; T176-N180 PolarHBondContact O-ND2 3.36Å; F177-N180 PolarHBondContact O-N 2.9Å; I178-N180 PolarHBondContact O-N 3.07Å; N180-K183 PolarHBondContact O-N 2.94Å; N180-M184 PolarHBondContact O-N 2.91Å; N180-V244 HydrophobicContact CB-CG1 3.78Å; N180-Q245 PolarHBondContact ND2-O 3.4Å
181	L	89.9	Confident	82.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-44	175.9	-175	57.3	0	0	0	112	F177 I178 S179 K183 M184 F185 I240 V244 F253 M274	F177-L181 HydrophobicContact CE1-CD2 3.92Å; F177-L181 HydrophobicContact CZ-CD2 4.06Å; F177-L181 WeakPolarHBondContact O-CB 3.23Å; F177-L181 PolarHBondContact O-N 2.83Å; I178-L181 PolarHBondContact O-N 3.09Å; S179-L181 VanDerWaalsContact C-N 3.33Å; S179-L181 PolarHBondContact O-N 3.26Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 3.13Å; L181-M184 HydrophobicContact CD1-CE 3.87Å; L181-M184 WeakPolarHBondContact O-CB 3.17Å; L181-M184 PolarHBondContact O-N 3.02Å; L181-F185 HydrophobicContact CD1-CE1 3.88Å; L181-F185 HydrophobicContact CD1-CE2 3.96Å; L181-F185 HydrophobicContact CD1-CZ 3.49Å; L181-F185 VanDerWaalsContact CD1-CZ 3.49Å; L181-F185 HydrophobicContact CD2-CE2 4.2Å; L181-F185 HydrophobicContact CD2-CZ 4.23Å; L181-F185 HydrophobicContact CG-CD2 4.35Å; L181-F185 HydrophobicContact CG-CE1 4.48Å; L181-F185 HydrophobicContact CG-CE2 3.67Å; L181-F185 HydrophobicContact CG-CZ 3.73Å; L181-F185 WeakPolarHBondContact O-CG 3.43Å; L181-F185 PolarHBondContact O-N 3.26Å; L181-I240 HydrophobicContact CD1-CD1 3.55Å; L181-I240 HydrophobicContact CD1-CG1 3.58Å; L181-I240 HydrophobicContact CD2-CD1 4.1Å; L181-V244 HydrophobicContact CB-CG1 4.27Å; L181-V244 HydrophobicContact CD1-CG2 4.18Å; L181-F253 HydrophobicContact CD2-CD2 4.13Å; L181-F253 HydrophobicContact CD2-CE1 4.24Å; L181-F253 HydrophobicContact CD2-CE2 3.55Å; L181-F253 HydrophobicContact CD2-CZ 3.63Å; L181-M274 HydrophobicContact CD2-CE 3.65Å; L181-M274 HydrophobicContact CD2-SD 4.03Å; L181-M274 HydrophobicContact CG-CE 4.47Å
182	I	85.8	Confident	82.8	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-42.5	175	-67.9	165.1	0	0	0	110.7	I178 S179 M184 F185 Q186 A209 I213 M274	I178-I182 HydrophobicContact CG2-CD1 3.92Å; I178-I182 HydrophobicContact CG2-CG1 4.49Å; I178-I182 VanDerWaalsContact O-CG1 3.31Å; I178-I182 WeakPolarHBondContact O-CG1 3.43Å; I178-I182 PolarHBondContact O-N 3.36Å; S179-I182 PolarHBondContact O-N 3.34Å; I182-M184 VanDerWaalsContact C-N 3.32Å; I182-M184 PolarHBondContact O-N 3.09Å; I182-F185 PolarHBondContact O-N 3.06Å; I182-Q186 HydrophobicContact CG2-CG 4.27Å; I182-Q186 VanDerWaalsContact O-CG 3.31Å; I182-Q186 WeakPolarHBondContact O-CG 3.48Å; I182-Q186 PolarHBondContact O-N 3.47Å; I182-A209 HydrophobicContact CG2-CB 4.31Å; I182-I213 HydrophobicContact CG1-CD1 3.79Å; I182-I213 HydrophobicContact CG1-CG1 4.42Å; I182-M274 WeakPolarHBondContact CD1-O 3.38Å; I182-M274 HydrophobicContact CG1-SD 4.48Å
183	K	85.3	Confident	83	Confident	126 Å²	126	62.2 Å²	62.2	55%	0.548	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-40.8	175.6	-71.8	176.4	-177.4	179.5	0	112.4	S179 N180 L181 Q186 G187	S179-K183 WeakPolarHBondContact O-CG 3.36Å; S179-K183 PolarHBondContact O-N 3.39Å; S179-K183 VanDerWaalsContact O-N 3.1Å; N180-K183 PolarHBondContact O-N 2.94Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 3.13Å; K183-Q186 WeakPolarHBondContact O-CB 3.27Å; K183-Q186 PolarHBondContact O-N 2.86Å; K183-G187 PolarHBondContact O-N 3.11Å
184	M	89.1	Confident	82.2	Confident	37 Å²	37	63.4 Å²	63.4	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-44.3	175.2	-171.9	-168.9	78.8	0	0	111.4	N180 L181 I182 G187 E188 L236 I240 L243 V244	N180-M184 PolarHBondContact O-N 2.91Å; L181-M184 HydrophobicContact CD1-CE 3.87Å; L181-M184 WeakPolarHBondContact O-CB 3.17Å; L181-M184 PolarHBondContact O-N 3.02Å; I182-M184 VanDerWaalsContact C-N 3.32Å; I182-M184 PolarHBondContact O-N 3.09Å; M184-G187 PolarHBondContact O-N 3.17Å; M184-E188 PolarHBondContact O-N 3.31Å; M184-E188 VanDerWaalsContact O-N 3.09Å; M184-L236 HydrophobicContact CE-CD1 3.76Å; M184-I240 HydrophobicContact CE-CG1 4.3Å; M184-L243 HydrophobicContact SD-CB 4.38Å; M184-L243 HydrophobicContact SD-CD1 4.42Å; M184-V244 HydrophobicContact CB-CG2 4.47Å; M184-V244 HydrophobicContact SD-CG2 3.68Å
185	F	91.3	Very high	81.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-36.2	176.1	-61.7	-28	0	0	0	112.8	L181 I182 E188 H189 V212 I213 K216 L236 W270 M274	L181-F185 HydrophobicContact CD1-CE1 3.88Å; L181-F185 HydrophobicContact CD1-CE2 3.96Å; L181-F185 HydrophobicContact CD1-CZ 3.49Å; L181-F185 VanDerWaalsContact CD1-CZ 3.49Å; L181-F185 HydrophobicContact CD2-CE2 4.2Å; L181-F185 HydrophobicContact CD2-CZ 4.23Å; L181-F185 HydrophobicContact CG-CD2 4.35Å; L181-F185 HydrophobicContact CG-CE1 4.48Å; L181-F185 HydrophobicContact CG-CE2 3.67Å; L181-F185 HydrophobicContact CG-CZ 3.73Å; L181-F185 WeakPolarHBondContact O-CG 3.43Å; L181-F185 PolarHBondContact O-N 3.26Å; I182-F185 PolarHBondContact O-N 3.06Å; F185-E188 PolarHBondContact O-N 2.02Å; F185-H189 WeakPolarHBondContact O-CB 3.44Å; F185-H189 PolarHBondContact O-N 3Å; F185-V212 VanDerWaalsContact C-CG1 3.46Å; F185-V212 HydrophobicContact CB-CG1 3.51Å; F185-I213 HydrophobicContact CD2-CD1 3.7Å; F185-I213 HydrophobicContact CE2-CD1 4.22Å; F185-K216 HydrophobicContact CD1-CD 3.74Å; F185-K216 HydrophobicContact CD1-CG 3.77Å; F185-K216 HydrophobicContact CD2-CB 4.34Å; F185-K216 HydrophobicContact CD2-CG 4.08Å; F185-K216 HydrophobicContact CE1-CD 3.89Å; F185-K216 HydrophobicContact CE1-CG 3.74Å; F185-K216 HydrophobicContact CE2-CG 4.05Å; F185-K216 HydrophobicContact CG-CB 4.34Å; F185-K216 HydrophobicContact CG-CD 4.27Å; F185-K216 HydrophobicContact CG-CG 3.95Å; F185-K216 HydrophobicContact CZ-CG 3.89Å; F185-L236 HydrophobicContact CE1-CD1 3.66Å; F185-L236 HydrophobicContact CE1-CD2 4Å; F185-L236 HydrophobicContact CZ-CD1 4.15Å; F185-L236 HydrophobicContact CZ-CD2 3.8Å; F185-W270 AromaticContact CE2-CH2 3.95Å; F185-W270 HydrophobicContact CE2-CH2 3.95Å; F185-W270 AromaticContact CE2-CZ2 3.7Å; F185-W270 HydrophobicContact CE2-CZ2 3.7Å; F185-W270 AromaticContact CZ-CH2 3.93Å; F185-W270 HydrophobicContact CZ-CH2 3.93Å; F185-W270 HydrophobicContact CZ-CZ2 4.06Å; F185-M274 HydrophobicContact CE2-CE 4.02Å; F185-M274 HydrophobicContact CE2-SD 4.46Å
186	Q	85.2	Confident	80.1	Confident	55 Å²	55	71.9 Å²	71.9	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-49.1	174.5	-76.7	173	-36	0	0	110.5	I182 K183 E188 H189 E190 V212	I182-Q186 HydrophobicContact CG2-CG 4.27Å; I182-Q186 VanDerWaalsContact O-CG 3.31Å; I182-Q186 WeakPolarHBondContact O-CG 3.48Å; I182-Q186 PolarHBondContact O-N 3.47Å; K183-Q186 WeakPolarHBondContact O-CB 3.27Å; K183-Q186 PolarHBondContact O-N 2.86Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 2.94Å; Q186-H189 PolarHBondContact O-N 3.35Å; Q186-E190 WeakPolarHBondContact O-CB 3.4Å; Q186-E190 VanDerWaalsContact O-CG 3.31Å; Q186-E190 WeakPolarHBondContact O-CG 3.2Å; Q186-E190 PolarHBondContact O-N 3.09Å; Q186-V212 HydrophobicContact CG-CB 4.42Å; Q186-V212 HydrophobicContact CG-CG1 4.05Å; Q186-V212 HydrophobicContact CG-CG2 4.08Å
187	G	85.4	Confident	78.1	Confident	25 Å²	25	77 Å²	77	26%	0.258	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-26.3	177.3	0	0	0	0	0	114.3	K183 M184 R191	K183-G187 PolarHBondContact O-N 3.11Å; M184-G187 PolarHBondContact O-N 3.17Å; G187-R191 VanDerWaalsContact O-CG 3.28Å; G187-R191 WeakPolarHBondContact O-CG 3.48Å; G187-R191 PolarHBondContact O-N 3.18Å; G187-R191 PolarHBondContact O-NE 3.15Å
188	E	87.6	Confident	75.5	Confident	51 Å²	51	87.9 Å²	87.9	24%	0.238	40%	0.404	C	S	.	.	H	α-helix	trans	-73.4	-44.1	171.6	-160	-172.8	157.4	0	0	111.6	M184 F185 Q186 R191 E192 W215 K216	M184-E188 PolarHBondContact O-N 3.31Å; M184-E188 VanDerWaalsContact O-N 3.09Å; F185-E188 PolarHBondContact O-N 2.02Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 2.94Å; E188-R191 PolarHBondContact O-N 2.76Å; E188-E192 PolarHBondContact O-N 3.25Å; E188-E192 VanDerWaalsContact O-N 3.13Å; E188-W215 HydrophobicContact CB-CH2 3.8Å; E188-W215 HydrophobicContact CB-CZ3 4.22Å; E188-W215 HydrophobicContact CG-CH2 3.71Å; E188-K216 IonicContact OE1-NZ 3.87Å; E188-K216 PolarHBondContact OE1-NZ 3.28Å; E188-K216 IonicContact OE2-NZ 2.72Å; E188-K216 PolarHBondContact OE2-NZ 3.06Å
189	H	85.9	Confident	72.9	Confident	35 Å²	35	98 Å²	98	16%	0.162	44%	0.443	C	S	.	.	H	α-helix	trans	-63.5	-44.7	177	-179.9	-94.4	0	0	0	111.8	F185 Q186 R191 E192 M193 V212 W215	F185-H189 WeakPolarHBondContact O-CB 3.44Å; F185-H189 PolarHBondContact O-N 3Å; Q186-H189 PolarHBondContact O-N 3.35Å; H189-R191 PolarHBondContact O-N 3.27Å; H189-E192 PolarHBondContact O-N 3.19Å; H189-M193 WeakPolarHBondContact O-CB 3.31Å; H189-M193 WeakPolarHBondContact O-CG 3.18Å; H189-M193 PolarHBondContact O-N 2.85Å; H189-V212 HydrophobicContact CB-CG1 4.37Å; H189-V212 HydrophobicContact CB-CG2 4.04Å; H189-W215 HydrophobicContact CB-CD2 4.29Å; H189-W215 HydrophobicContact CB-CE3 3.83Å; H189-W215 HydrophobicContact CB-CH2 4.15Å; H189-W215 HydrophobicContact CB-CZ3 3.76Å; H189-W215 AromaticContact CD2-CD2 3.57Å; H189-W215 AromaticContact CD2-CE3 3.88Å; H189-W215 AromaticContact CD2-CG 3.6Å
190	E	82.8	Confident	70.4	Confident	114 Å²	114	103.2 Å²	103.2	53%	0.533	46%	0.46	S	S	.	.	H	α-helix	trans	-58.4	-46.9	176.2	-74.5	166.1	-169.7	0	0	111.1	Q186 E192 M193 H194	Q186-E190 WeakPolarHBondContact O-CB 3.4Å; Q186-E190 VanDerWaalsContact O-CG 3.31Å; Q186-E190 WeakPolarHBondContact O-CG 3.2Å; Q186-E190 PolarHBondContact O-N 3.09Å; E190-E192 VanDerWaalsContact C-N 3.31Å; E190-E192 PolarHBondContact O-N 3.33Å; E190-M193 PolarHBondContact O-N 2.96Å; E190-H194 PolarHBondContact O-CD2 3.36Å; E190-H194 PolarHBondContact O-N 2.78Å; E190-H194 VanDerWaalsContact O-N 3.09Å
191	R	83.7	Confident	67.5	Low	180 Å²	180	107 Å²	107	68%	0.679	48%	0.481	S	S	*	.	H	α-helix	trans	-59.8	-37.5	177.1	-77.4	-178.4	-70.4	166.7	-0.8	113.5	G187 E188 H189	G187-R191 VanDerWaalsContact O-CG 3.28Å; G187-R191 WeakPolarHBondContact O-CG 3.48Å; G187-R191 PolarHBondContact O-N 3.18Å; G187-R191 PolarHBondContact O-NE 3.15Å; E188-R191 PolarHBondContact O-N 2.76Å; H189-R191 PolarHBondContact O-N 3.27Å
192	E	78.4	Confident	64.7	Low	87 Å²	87	113.7 Å²	113.7	41%	0.407	52%	0.516	S	S	.	.	H	α-helix	trans	-77.3	-35	178.6	-165	170.9	144.3	0	0	112.2	E188 H189 E190 W215	E188-E192 PolarHBondContact O-N 3.25Å; E188-E192 VanDerWaalsContact O-N 3.13Å; H189-E192 PolarHBondContact O-N 3.19Å; E190-E192 VanDerWaalsContact C-N 3.31Å; E190-E192 PolarHBondContact O-N 3.33Å; E192-W215 WeakPolarHBondContact OE2-CZ2 3.5Å
193	M	68.5	Low	62	Low	78 Å²	78	116.8 Å²	116.8	38%	0.384	54%	0.536	S	S	.	.	H	α-helix	trans	-81.7	-16.9	-176	-65.6	-62.6	154.2	0	0	114.2	H189 E190 H195 K196	H189-M193 WeakPolarHBondContact O-CB 3.31Å; H189-M193 WeakPolarHBondContact O-CG 3.18Å; H189-M193 PolarHBondContact O-N 2.85Å; E190-M193 PolarHBondContact O-N 2.96Å; M193-H195 PolarHBondContact O-N 3.28Å; M193-K196 PolarHBondContact O-N 2.03Å; M193-K196 VanDerWaalsContact O-N 3.11Å
194	H	59.3	Low	59.6	Low	152 Å²	152	115.8 Å²	115.8	70%	0.704	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.5	174.9	-91.6	-71.5	0	0	0	114.4	E190	E190-H194 PolarHBondContact O-CD2 3.36Å; E190-H194 PolarHBondContact O-N 2.78Å; E190-H194 VanDerWaalsContact O-N 3.09Å
195	H	52	Low	56.8	Low	173 Å²	173	120 Å²	120	80%	0.801	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	2.1	175	-79.6	-62	0	0	0	115.9	M193	M193-H195 PolarHBondContact O-N 3.28Å
196	K	51.4	Low	54.4	Low	177 Å²	177	122.8 Å²	122.8	77%	0.77	58%	0.58	S	S	*	*			trans	-136	86.6	179.2	-72.4	-177.2	178.8	177.2	0	111.2	M193	M193-K196 PolarHBondContact O-N 2.03Å; M193-K196 VanDerWaalsContact O-N 3.11Å
197	H	37.9	Very low	52.7	Low	177 Å²	177	121.4 Å²	121.4	82%	0.819	58%	0.576	S	S	*	*			trans	-62.4	147.6	169.1	-102.7	15.1	0	0	0	112.3
198	R	31.7	Very low	51.8	Low	230 Å²	230	124.7 Å²	124.7	87%	0.868	59%	0.593	S	S	*	*			trans	72.6	103.5	163.4	-65.4	178.3	-169.5	163.2	3.4	117.4
199	Y	29.3	Very low	50.9	Low	231 Å²	231	123.2 Å²	123.2	91%	0.906	59%	0.59	S	S	*	*				-153.5	125.5	111.4	-128.5	-95.9	0	0	0	109.9
200	H	30.1	Very low	50.3	Low	165 Å²	165	125 Å²	125	76%	0.764	60%	0.595	S	S	*	*			trans	-70.7	120.2	166.5	-98.9	-84.7	0	0	0	107.8
201	D	27.9	Very low	50.1	Low	131 Å²	131	122.6 Å²	122.6	70%	0.701	59%	0.588	S	S	*	*			trans	-134.6	106.3	151.2	-165	-5.3	0	0	0	108.4	T203	D201-T203 PolarHBondContact OD1-N 3.49Å; D201-T203 PolarHBondContact OD1-OG1 2.92Å; D201-T203 VanDerWaalsContact OD1-OG1 3.07Å
202	L	30.9	Very low	50.2	Low	140 Å²	140	114.3 Å²	114.3	73%	0.733	56%	0.558	S	S	*	*			trans	-103.4	54	-174.7	-108.9	156.4	0	0	0	108
203	T	29.1	Very low	50.7	Low	88 Å²	88	110.1 Å²	110.1	54%	0.54	54%	0.539	S	S	.	.	S	Bend	trans	-143	119.3	169.7	60	0	0	0	0	110.2	D201	D201-T203 PolarHBondContact OD1-N 3.49Å; D201-T203 PolarHBondContact OD1-OG1 2.92Å; D201-T203 VanDerWaalsContact OD1-OG1 3.07Å
204	V	33.3	Very low	51.5	Low	105 Å²	105	108.1 Å²	108.1	64%	0.636	53%	0.528	S	S	*	.	S	Bend	trans	68.4	115.8	-161.5	-164	0	0	0	0	111.1	P206	V204-P206 VanDerWaalsContact C-CD 3.41Å; V204-P206 WeakPolarHBondContact O-CD 3.38Å
205	I	31.4	Very low	53	Low	127 Å²	127	102.4 Å²	102.4	65%	0.651	50%	0.5	S	S	*	.			trans	-84.2	91.8	167.6	-56	170	0	0	0	106.3	S207	I205-S207 PolarHBondContact O-N 3.43Å
206	P	39.9	Very low	55	Low	58 Å²	58	94.7 Å²	94.7	38%	0.377	46%	0.464	S	S	.	.			trans	-57.8	118.5	150.8	26.8	-28.2	0	0	0	103.8	V204 R210	V204-P206 VanDerWaalsContact C-CD 3.41Å; V204-P206 WeakPolarHBondContact O-CD 3.38Å; P206-R210 HydrophobicContact CB-CB 4.2Å
207	S	50.7	Low	56.9	Low	25 Å²	25	86.2 Å²	86.2	18%	0.175	43%	0.428	C	S	.	.			trans	-44.9	141	174.5	63.9	0	0	0	0	107.8	I205 A209 R210 R283	I205-S207 PolarHBondContact O-N 3.43Å; S207-A209 CarbonylContact O-C 3.44Å; S207-A209 PolarHBondContact O-N 3.07Å; S207-R210 PolarHBondContact O-N 2.68Å; S207-R210 PolarHBondContact OG-N 3.26Å; S207-R283 VanDerWaalsContact OG-CZ 3.23Å; S207-R283 PolarHBondContact OG-NH1 3.49Å; S207-R283 PolarHBondContact OG-NH2 2.71Å
208	P	66.9	Low	59.5	Low	94 Å²	94	81.4 Å²	81.4	61%	0.61	41%	0.408	S	S	*	.	H	α-helix	trans	-46.7	-32	178.5	12.2	-27.1	0	0	0	112.7	R210 V212	P208-R210 PolarHBondContact O-N 2.9Å; P208-V212 WeakPolarHBondContact O-CG2 3.5Å; P208-V212 PolarHBondContact O-N 2.93Å; P208-V212 VanDerWaalsContact O-N 3.15Å
209	A	68.9	Low	62.3	Low	21 Å²	21	78.1 Å²	78.1	17%	0.174	40%	0.396	C	S	.	.	H	α-helix	trans	-57.7	-42.8	170.7	0	0	0	0	0	115.4	I182 S207 V212 I213 V276	I182-A209 HydrophobicContact CG2-CB 4.31Å; S207-A209 CarbonylContact O-C 3.44Å; S207-A209 PolarHBondContact O-N 3.07Å; A209-V212 PolarHBondContact O-N 3.45Å; A209-I213 WeakPolarHBondContact O-CB 3.2Å; A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 2.63Å; A209-V276 HydrophobicContact CB-CG1 4.01Å
210	R	71.5	Confident	65.4	Low	71 Å²	71	67.9 Å²	67.9	27%	0.268	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-46.4	-179.2	-174.5	-178.9	-177	113.3	10	110.7	P206 S207 P208 V212 I213 E214 V276 D277	P206-R210 HydrophobicContact CB-CB 4.2Å; S207-R210 PolarHBondContact O-N 2.68Å; S207-R210 PolarHBondContact OG-N 3.26Å; P208-R210 PolarHBondContact O-N 2.9Å; R210-V212 VanDerWaalsContact C-N 3.31Å; R210-V212 PolarHBondContact O-N 2.71Å; R210-I213 PolarHBondContact O-N 3.25Å; R210-E214 HydrophobicContact CG-CG 4.3Å; R210-E214 IonicContact NH2-OE1 3.95Å; R210-E214 WeakPolarHBondContact O-CB 3.44Å; R210-E214 WeakPolarHBondContact O-CG 3.48Å; R210-E214 PolarHBondContact O-N 3.26Å; R210-V276 HydrophobicContact CB-CB 4.24Å; R210-V276 HydrophobicContact CG-CB 4.49Å; R210-D277 IonicContact CZ-OD1 3.89Å; R210-D277 IonicContact CZ-OD2 2.76Å; R210-D277 IonicContact NH1-OD1 3.76Å; R210-D277 PolarHBondContact NH1-OD1 2.76Å; R210-D277 IonicContact NH1-OD2 3.87Å; R210-D277 IonicContact NH2-OD1 2.83Å; R210-D277 PolarHBondContact NH2-OD1 3.5Å; R210-D277 IonicContact NH2-OD2 3.78Å; R210-D277 PolarHBondContact NH2-OD2 3Å
211	T	79.2	Confident	68.4	Low	64 Å²	64	60.1 Å²	60.1	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-46	177.4	-50.8	0	0	0	0	111	I213 E214 W215	T211-I213 PolarHBondContact O-N 3.02Å; T211-E214 PolarHBondContact O-N 3.22Å; T211-W215 VanDerWaalsContact O-CB 3.25Å; T211-W215 WeakPolarHBondContact O-CB 3.45Å; T211-W215 PolarHBondContact O-N 3.43Å
212	V	86.2	Confident	71.4	Confident	6 Å²	6	59 Å²	59	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-42.5	177.3	170.9	0	0	0	0	111.8	F185 Q186 H189 P208 A209 R210 K216	F185-V212 VanDerWaalsContact C-CG1 3.46Å; F185-V212 HydrophobicContact CB-CG1 3.51Å; Q186-V212 HydrophobicContact CG-CB 4.42Å; Q186-V212 HydrophobicContact CG-CG1 4.05Å; Q186-V212 HydrophobicContact CG-CG2 4.08Å; H189-V212 HydrophobicContact CB-CG1 4.37Å; H189-V212 HydrophobicContact CB-CG2 4.04Å; P208-V212 WeakPolarHBondContact O-CG2 3.5Å; P208-V212 PolarHBondContact O-N 2.93Å; P208-V212 VanDerWaalsContact O-N 3.15Å; A209-V212 PolarHBondContact O-N 3.45Å; R210-V212 VanDerWaalsContact C-N 3.31Å; R210-V212 PolarHBondContact O-N 2.71Å; V212-K216 WeakPolarHBondContact O-CB 3.32Å; V212-K216 PolarHBondContact O-N 3.49Å
213	I	87.9	Confident	74.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-41	-179.7	-69.4	-55	0	0	0	112.1	I182 F185 A209 R210 T211 K216 F217 W270 T271 M274 V276	I182-I213 HydrophobicContact CG1-CD1 3.79Å; I182-I213 HydrophobicContact CG1-CG1 4.42Å; F185-I213 HydrophobicContact CD2-CD1 3.7Å; F185-I213 HydrophobicContact CE2-CD1 4.22Å; A209-I213 WeakPolarHBondContact O-CB 3.2Å; A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 2.63Å; R210-I213 PolarHBondContact O-N 3.25Å; T211-I213 PolarHBondContact O-N 3.02Å; I213-K216 PolarHBondContact O-N 2.97Å; I213-F217 PolarHBondContact O-N 2.65Å; I213-W270 VanDerWaalsContact CG2-CD1 3.45Å; I213-W270 VanDerWaalsContact CG2-NE1 3.27Å; I213-W270 PolarHBondContact O-NE1 2.69Å; I213-T271 HydrophobicContact CG2-CG2 4.4Å; I213-M274 HydrophobicContact CD1-CB 3.9Å; I213-M274 HydrophobicContact CD1-CG 3.66Å; I213-M274 HydrophobicContact CD1-SD 3.99Å; I213-M274 HydrophobicContact CG1-CB 3.97Å; I213-M274 HydrophobicContact CG1-CG 4.18Å; I213-M274 HydrophobicContact CG2-CB 3.93Å; I213-M274 HydrophobicContact CG2-CG 3.84Å; I213-V276 HydrophobicContact CB-CG1 4.32Å; I213-V276 HydrophobicContact CB-CG2 3.98Å; I213-V276 HydrophobicContact CG1-CG1 3.8Å; I213-V276 HydrophobicContact CG1-CG2 4.26Å; I213-V276 HydrophobicContact CG2-CG2 3.69Å
214	E	86	Confident	77	Confident	35 Å²	35	59.1 Å²	59.1	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-67.6	-44.4	175.3	-72.3	-76.4	174.4	0	0	111.8	R210 T211 K216 F217 N218 R267 T271	R210-E214 HydrophobicContact CG-CG 4.3Å; R210-E214 IonicContact NH2-OE1 3.95Å; R210-E214 WeakPolarHBondContact O-CB 3.44Å; R210-E214 WeakPolarHBondContact O-CG 3.48Å; R210-E214 PolarHBondContact O-N 3.26Å; T211-E214 PolarHBondContact O-N 3.22Å; E214-K216 VanDerWaalsContact C-N 3.29Å; E214-K216 PolarHBondContact O-N 3.01Å; E214-F217 WeakPolarHBondContact O-CB 3.38Å; E214-F217 PolarHBondContact O-N 3.42Å; E214-N218 PolarHBondContact O-N 3.5Å; E214-N218 PolarHBondContact O-ND2 2.97Å; E214-R267 IonicContact OE2-CZ 2.74Å; E214-R267 IonicContact OE2-NH1 2.66Å; E214-R267 PolarHBondContact OE2-NH1 3.2Å; E214-T271 WeakPolarHBondContact OE1-CG2 3.2Å
215	W	90.8	Very high	79.8	Confident	32 Å²	32	57 Å²	57	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-47.1	173.2	161.9	83.1	0	0	0	110.9	E188 H189 E192 T211 F217 N218 R219	E188-W215 HydrophobicContact CB-CH2 3.8Å; E188-W215 HydrophobicContact CB-CZ3 4.22Å; E188-W215 HydrophobicContact CG-CH2 3.71Å; H189-W215 HydrophobicContact CB-CD2 4.29Å; H189-W215 HydrophobicContact CB-CE3 3.83Å; H189-W215 HydrophobicContact CB-CH2 4.15Å; H189-W215 HydrophobicContact CB-CZ3 3.76Å; H189-W215 AromaticContact CD2-CD2 3.57Å; H189-W215 AromaticContact CD2-CE3 3.88Å; H189-W215 AromaticContact CD2-CG 3.6Å; E192-W215 WeakPolarHBondContact OE2-CZ2 3.5Å; T211-W215 VanDerWaalsContact O-CB 3.25Å; T211-W215 WeakPolarHBondContact O-CB 3.45Å; T211-W215 PolarHBondContact O-N 3.43Å; W215-F217 VanDerWaalsContact C-N 3.33Å; W215-F217 PolarHBondContact O-N 2.88Å; W215-N218 PolarHBondContact O-N 3.24Å; W215-R219 PolarHBondContact O-N 2.96Å; W215-R219 VanDerWaalsContact O-N 3.08Å
216	K	93.2	Very high	82.6	Confident	11 Å²	11	54.8 Å²	54.8	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-37.4	179.9	-169	69.3	-170.8	-178.4	0	112	F185 E188 V212 I213 E214 R219 L220 W270	F185-K216 HydrophobicContact CD1-CD 3.74Å; F185-K216 HydrophobicContact CD1-CG 3.77Å; F185-K216 HydrophobicContact CD2-CB 4.34Å; F185-K216 HydrophobicContact CD2-CG 4.08Å; F185-K216 HydrophobicContact CE1-CD 3.89Å; F185-K216 HydrophobicContact CE1-CG 3.74Å; F185-K216 HydrophobicContact CE2-CG 4.05Å; F185-K216 HydrophobicContact CG-CB 4.34Å; F185-K216 HydrophobicContact CG-CD 4.27Å; F185-K216 HydrophobicContact CG-CG 3.95Å; F185-K216 HydrophobicContact CZ-CG 3.89Å; E188-K216 IonicContact OE1-NZ 3.87Å; E188-K216 PolarHBondContact OE1-NZ 3.28Å; E188-K216 IonicContact OE2-NZ 2.72Å; E188-K216 PolarHBondContact OE2-NZ 3.06Å; V212-K216 WeakPolarHBondContact O-CB 3.32Å; V212-K216 PolarHBondContact O-N 3.49Å; I213-K216 PolarHBondContact O-N 2.97Å; E214-K216 VanDerWaalsContact C-N 3.29Å; E214-K216 PolarHBondContact O-N 3.01Å; K216-R219 PolarHBondContact O-N 3.46Å; K216-L220 HydrophobicContact CG-CD1 4.26Å; K216-L220 WeakPolarHBondContact O-CG 3.38Å; K216-L220 PolarHBondContact O-N 3.36Å; K216-W270 HydrophobicContact CB-CZ2 4.43Å; K216-W270 HydrophobicContact CG-CZ2 4.14Å
217	F	92.8	Very high	85	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-53.6	174.5	-174	-85.7	0	0	0	111.1	I213 E214 W215 R219 L220 D221 N226 I228 R267 W270	I213-F217 PolarHBondContact O-N 2.65Å; E214-F217 WeakPolarHBondContact O-CB 3.38Å; E214-F217 PolarHBondContact O-N 3.42Å; W215-F217 VanDerWaalsContact C-N 3.33Å; W215-F217 PolarHBondContact O-N 2.88Å; F217-R219 PolarHBondContact O-N 2.93Å; F217-R219 VanDerWaalsContact O-N 3.15Å; F217-L220 PolarHBondContact O-N 3.24Å; F217-D221 HydrophobicContact CD1-CB 4.19Å; F217-D221 HydrophobicContact CE1-CB 3.81Å; F217-D221 HydrophobicContact CZ-CB 4.41Å; F217-D221 WeakPolarHBondContact O-CB 3.37Å; F217-D221 PolarHBondContact O-N 3.41Å; F217-N226 WeakPolarHBondContact CZ-O 3.33Å; F217-I228 HydrophobicContact CD2-CD1 3.34Å; F217-I228 HydrophobicContact CD2-CG1 3.87Å; F217-I228 HydrophobicContact CE2-CD1 3.47Å; F217-I228 VanDerWaalsContact CE2-CD1 3.47Å; F217-I228 HydrophobicContact CE2-CG1 3.52Å; F217-I228 HydrophobicContact CG-CD1 4.18Å; F217-I228 HydrophobicContact CZ-CD1 4.37Å; F217-I228 HydrophobicContact CZ-CG1 3.99Å; F217-R267 HydrophobicContact CD1-CB 4.39Å; F217-R267 HydrophobicContact CD1-CG 4.19Å; F217-R267 HydrophobicContact CE1-CB 3.88Å; F217-R267 HydrophobicContact CE1-CG 4.17Å; F217-R267 VanDerWaalsContact CE2-CA 3.42Å; F217-R267 HydrophobicContact CE2-CB 4.13Å; F217-R267 HydrophobicContact CG-CG 4.48Å; F217-R267 VanDerWaalsContact CZ-CA 3.5Å; F217-R267 HydrophobicContact CZ-CB 3.75Å; F217-R267 HydrophobicContact CZ-CG 4.41Å; F217-W270 HydrophobicContact CB-CG 4.48Å; F217-W270 HydrophobicContact CD2-CB 3.65Å; F217-W270 AromaticContact CD2-CD1 3.63Å; F217-W270 HydrophobicContact CD2-CD2 4.15Å; F217-W270 AromaticContact CD2-CG 3.56Å; F217-W270 HydrophobicContact CD2-CG 3.56Å; F217-W270 HydrophobicContact CE2-CB 3.97Å; F217-W270 HydrophobicContact CE2-CG 4.33Å; F217-W270 HydrophobicContact CG-CG 4.47Å
218	N	91.5	Very high	87	Confident	76 Å²	76	54.1 Å²	54.1	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-28.8	-179.6	-66.9	-23.2	0	0	0	112.4	E214 W215 R267	E214-N218 PolarHBondContact O-N 3.5Å; E214-N218 PolarHBondContact O-ND2 2.97Å; W215-N218 PolarHBondContact O-N 3.24Å; N218-R267 PolarHBondContact OD1-NH1 3.36Å; N218-R267 PolarHBondContact OD1-NH2 3.46Å
219	R	91.7	Very high	88.2	Confident	160 Å²	160	51 Å²	51	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-75.1	-27.1	176.2	-162.6	59.7	160.8	146.1	-4.4	113.4	W215 K216 F217	W215-R219 PolarHBondContact O-N 2.96Å; W215-R219 VanDerWaalsContact O-N 3.08Å; K216-R219 PolarHBondContact O-N 3.46Å; F217-R219 PolarHBondContact O-N 2.93Å; F217-R219 VanDerWaalsContact O-N 3.15Å
220	L	93.1	Very high	89.2	Confident	16 Å²	16	53.6 Å²	53.6	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-89.3	-34.8	178.9	-67.3	167.4	0	0	0	112.2	K216 F217 V222 I228 E232 L233 L236 W270	K216-L220 HydrophobicContact CG-CD1 4.26Å; K216-L220 WeakPolarHBondContact O-CG 3.38Å; K216-L220 PolarHBondContact O-N 3.36Å; F217-L220 PolarHBondContact O-N 3.24Å; L220-V222 PolarHBondContact O-N 3.3Å; L220-I228 HydrophobicContact CB-CD1 3.92Å; L220-I228 HydrophobicContact CB-CG1 3.99Å; L220-I228 HydrophobicContact CB-CG2 4.28Å; L220-I228 HydrophobicContact CD1-CD1 3.8Å; L220-E232 VanDerWaalsContact O-CB 3.27Å; L220-E232 WeakPolarHBondContact O-CB 3.31Å; L220-E232 WeakPolarHBondContact O-CG 3.49Å; L220-L233 HydrophobicContact CD1-CD1 4.2Å; L220-L236 HydrophobicContact CD1-CD2 3.5Å; L220-L236 HydrophobicContact CD2-CB 4.01Å; L220-L236 HydrophobicContact CD2-CD2 4.06Å; L220-L236 HydrophobicContact CG-CD2 4.39Å; L220-W270 HydrophobicContact CD1-CH2 3.86Å; L220-W270 HydrophobicContact CD1-CZ2 4.2Å; L220-W270 HydrophobicContact CD1-CZ3 4.4Å
221	D	93	Very high	90.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.011	28%	0.284	C	S	.	.			trans	-76.1	72.7	177.6	-177	20.1	0	0	0	110.5	F217 N223 H224 D225 N226	F217-D221 HydrophobicContact CD1-CB 4.19Å; F217-D221 HydrophobicContact CE1-CB 3.81Å; F217-D221 HydrophobicContact CZ-CB 4.41Å; F217-D221 WeakPolarHBondContact O-CB 3.37Å; F217-D221 PolarHBondContact O-N 3.41Å; D221-N223 VanDerWaalsContact C-N 3.33Å; D221-N223 PolarHBondContact OD1-OD1 3.33Å; D221-H224 PolarHBondContact O-CE1 2.96Å; D221-H224 PolarHBondContact O-N 2.91Å; D221-H224 PolarHBondContact O-ND1 3.33Å; D221-H224 WeakPolarHBondContact OD1-CA 3.05Å; D221-H224 PolarHBondContact OD1-N 2.89Å; D221-H224 VanDerWaalsContact OD1-N 3.12Å; D221-D225 PolarHBondContact OD1-N 3.38Å; D221-D225 VanDerWaalsContact OD1-N 3.09Å; D221-N226 WeakPolarHBondContact OD2-CA 3.31Å; D221-N226 PolarHBondContact OD2-N 3.43Å
222	V	90.7	Very high	90.7	Very high	109 Å²	109	51.1 Å²	51.1	66%	0.661	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.6	-174.6	176.7	0	0	0	0	110.9	L220 H224 E232	L220-V222 PolarHBondContact O-N 3.3Å; V222-H224 VanDerWaalsContact C-N 3.33Å; V222-E232 PolarHBondContact N-OE1 3.42Å
223	N	90.4	Very high	91	Very high	88 Å²	88	50.9 Å²	50.9	47%	0.471	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.6	178	70.9	4.5	0	0	0	113.5	D221 D225 E232	D221-N223 VanDerWaalsContact C-N 3.33Å; D221-N223 PolarHBondContact OD1-OD1 3.33Å; N223-D225 PolarHBondContact ND2-OD2 2.95Å; N223-D225 PolarHBondContact O-N 3.28Å; N223-D225 WeakPolarHBondContact OD1-CB 3.36Å; N223-D225 VanDerWaalsContact OD1-CG 3.23Å; N223-D225 PolarHBondContact OD1-N 3.05Å; N223-D225 PolarHBondContact OD1-OD1 3.22Å; N223-E232 PolarHBondContact N-OE1 3.05Å; N223-E232 PolarHBondContact OD1-OE1 3.44Å
224	H	88.2	Confident	91.2	Very high	141 Å²	141	59.3 Å²	59.3	65%	0.653	30%	0.302	S	S	*	.			trans	57.1	30.3	179.8	-56.9	-46.5	0	0	0	113.9	D221 V222 N226	D221-H224 PolarHBondContact O-CE1 2.96Å; D221-H224 PolarHBondContact O-N 2.91Å; D221-H224 PolarHBondContact O-ND1 3.33Å; D221-H224 WeakPolarHBondContact OD1-CA 3.05Å; D221-H224 PolarHBondContact OD1-N 2.89Å; D221-H224 VanDerWaalsContact OD1-N 3.12Å; V222-H224 VanDerWaalsContact C-N 3.33Å; H224-N226 PolarHBondContact O-N 3.47Å
225	D	91.3	Very high	91.4	Very high	60 Å²	60	67.8 Å²	67.8	32%	0.321	33%	0.333	S	S	.	.	S	Bend	trans	-83.4	3.4	177	83.3	0.4	0	0	0	112.6	D221 N223 K227 K264	D221-D225 PolarHBondContact OD1-N 3.38Å; D221-D225 VanDerWaalsContact OD1-N 3.09Å; N223-D225 PolarHBondContact ND2-OD2 2.95Å; N223-D225 PolarHBondContact O-N 3.28Å; N223-D225 WeakPolarHBondContact OD1-CB 3.36Å; N223-D225 VanDerWaalsContact OD1-CG 3.23Å; N223-D225 PolarHBondContact OD1-N 3.05Å; N223-D225 PolarHBondContact OD1-OD1 3.22Å; D225-K227 PolarHBondContact O-N 3.2Å; D225-K227 VanDerWaalsContact OD1-CA 3.29Å; D225-K227 WeakPolarHBondContact OD1-CA 3.2Å; D225-K227 VanDerWaalsContact OD1-CB 3.28Å; D225-K227 WeakPolarHBondContact OD1-CB 3Å; D225-K227 PolarHBondContact OD1-N 3.03Å; D225-K264 IonicContact OD2-NZ 3.02Å; D225-K264 PolarHBondContact OD2-NZ 3Å
226	N	89.7	Confident	91.5	Very high	81 Å²	81	66.6 Å²	66.6	43%	0.433	33%	0.329	S	S	.	.	S	Bend	trans	61.1	22.4	-174	-67.4	-73.7	0	0	0	113.9	F217 D221 H224 R267	F217-N226 WeakPolarHBondContact CZ-O 3.33Å; D221-N226 WeakPolarHBondContact OD2-CA 3.31Å; D221-N226 PolarHBondContact OD2-N 3.43Å; H224-N226 PolarHBondContact O-N 3.47Å; N226-R267 PolarHBondContact O-N 3.5Å; N226-R267 PolarHBondContact OD1-NE 2.71Å; N226-R267 PolarHBondContact OD1-NH2 3.36Å
227	K	92	Very high	91.4	Very high	69 Å²	69	69.2 Å²	69.2	30%	0.3	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126.7	174.9	-56.1	-173.3	166.7	-156.7	0	111	D225 S229 D262 K264 I265	D225-K227 PolarHBondContact O-N 3.2Å; D225-K227 VanDerWaalsContact OD1-CA 3.29Å; D225-K227 WeakPolarHBondContact OD1-CA 3.2Å; D225-K227 VanDerWaalsContact OD1-CB 3.28Å; D225-K227 WeakPolarHBondContact OD1-CB 3Å; D225-K227 PolarHBondContact OD1-N 3.03Å; K227-S229 PolarHBondContact O-N 2.83Å; K227-D262 IonicContact NZ-OD2 3.55Å; K227-D262 PolarHBondContact NZ-OD2 3.35Å; K227-K264 HydrophobicContact CB-CB 4.08Å; K227-K264 HydrophobicContact CB-CD 4Å; K227-K264 HydrophobicContact CD-CB 4.36Å; K227-K264 HydrophobicContact CD-CD 3.87Å; K227-I265 CarbonylContact C-O 3.57Å; K227-I265 WeakPolarHBondContact CA-O 3.49Å
228	I	92.4	Very high	91.3	Very high	1 Å²	1	74 Å²	74	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.1	174.9	-59	164	0	0	0	109.2	F217 L220 E232 L233 K264 I265 W270	F217-I228 HydrophobicContact CD2-CD1 3.34Å; F217-I228 HydrophobicContact CD2-CG1 3.87Å; F217-I228 HydrophobicContact CE2-CD1 3.47Å; F217-I228 VanDerWaalsContact CE2-CD1 3.47Å; F217-I228 HydrophobicContact CE2-CG1 3.52Å; F217-I228 HydrophobicContact CG-CD1 4.18Å; F217-I228 HydrophobicContact CZ-CD1 4.37Å; F217-I228 HydrophobicContact CZ-CG1 3.99Å; L220-I228 HydrophobicContact CB-CD1 3.92Å; L220-I228 HydrophobicContact CB-CG1 3.99Å; L220-I228 HydrophobicContact CB-CG2 4.28Å; L220-I228 HydrophobicContact CD1-CD1 3.8Å; I228-E232 HydrophobicContact CG2-CB 3.99Å; I228-L233 HydrophobicContact CG2-CB 3.83Å; I228-L233 HydrophobicContact CG2-CD1 4.16Å; I228-L233 HydrophobicContact CG2-CG 4.45Å; I228-K264 WeakPolarHBondContact O-CA 3.49Å; I228-I265 HydrophobicContact CB-CB 4.5Å; I228-I265 PolarHBondContact N-O 2.84Å; I228-I265 PolarHBondContact O-N 3.4Å; I228-W270 HydrophobicContact CD1-CD2 4.11Å; I228-W270 HydrophobicContact CD1-CE3 3.86Å; I228-W270 HydrophobicContact CD1-CZ3 4.13Å
229	S	92.6	Very high	91.2	Very high	29 Å²	29	74.6 Å²	74.6	20%	0.203	36%	0.364	C	S	.	.			trans	-72.4	163.3	172.7	70.9	0	0	0	0	112.4	K227 G231 E232 L233	K227-S229 PolarHBondContact O-N 2.83Å; S229-G231 PolarHBondContact O-N 3.49Å; S229-E232 VanDerWaalsContact CB-OE2 3.24Å; S229-E232 WeakPolarHBondContact CB-OE2 3.21Å; S229-E232 PolarHBondContact N-OE2 3.34Å; S229-E232 PolarHBondContact O-N 3.2Å; S229-E232 WeakPolarHBondContact OG-CG 3.34Å; S229-E232 PolarHBondContact OG-N 3.42Å; S229-E232 PolarHBondContact OG-OE2 3.17Å; S229-L233 PolarHBondContact O-N 3.41Å
230	S	89.8	Confident	91.2	Very high	74 Å²	74	67 Å²	67	52%	0.517	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.6	176.3	70.7	0	0	0	0	113.9	R234	S230-R234 PolarHBondContact O-N 2.92Å
231	G	90.2	Very high	91	Very high	51 Å²	51	70 Å²	70	53%	0.526	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-44.4	177	0	0	0	0	0	112.4	S229 L233 R234	S229-G231 PolarHBondContact O-N 3.49Å; G231-L233 VanDerWaalsContact C-N 3.3Å; G231-L233 PolarHBondContact O-N 2.87Å; G231-R234 WeakPolarHBondContact O-CB 2.85Å; G231-R234 PolarHBondContact O-N 3.13Å
232	E	92.1	Very high	90.8	Very high	32 Å²	32	73.5 Å²	73.5	15%	0.15	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-37.4	175.3	-76.6	165.2	135.3	0	0	112.2	L220 V222 N223 I228 S229 R234	L220-E232 VanDerWaalsContact O-CB 3.27Å; L220-E232 WeakPolarHBondContact O-CB 3.31Å; L220-E232 WeakPolarHBondContact O-CG 3.49Å; V222-E232 PolarHBondContact N-OE1 3.42Å; N223-E232 PolarHBondContact N-OE1 3.05Å; N223-E232 PolarHBondContact OD1-OE1 3.44Å; I228-E232 HydrophobicContact CG2-CB 3.99Å; S229-E232 VanDerWaalsContact CB-OE2 3.24Å; S229-E232 WeakPolarHBondContact CB-OE2 3.21Å; S229-E232 PolarHBondContact N-OE2 3.34Å; S229-E232 PolarHBondContact O-N 3.2Å; S229-E232 WeakPolarHBondContact OG-CG 3.34Å; S229-E232 PolarHBondContact OG-N 3.42Å; S229-E232 PolarHBondContact OG-OE2 3.17Å; E232-R234 VanDerWaalsContact C-N 3.26Å; E232-R234 PolarHBondContact O-N 3.37Å
233	L	92.2	Very high	90.7	Very high	2 Å²	2	74 Å²	74	1%	0.01	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.9	178.8	-161.5	59.3	0	0	0	113.9	L220 I228 S229 G231 R235 L236 R237 F253 P254 I265 W270	L220-L233 HydrophobicContact CD1-CD1 4.2Å; I228-L233 HydrophobicContact CG2-CB 3.83Å; I228-L233 HydrophobicContact CG2-CD1 4.16Å; I228-L233 HydrophobicContact CG2-CG 4.45Å; S229-L233 PolarHBondContact O-N 3.41Å; G231-L233 VanDerWaalsContact C-N 3.3Å; G231-L233 PolarHBondContact O-N 2.87Å; L233-R235 PolarHBondContact O-N 2.89Å; L233-L236 HydrophobicContact CD1-CB 4.2Å; L233-L236 HydrophobicContact CD1-CD2 3.74Å; L233-L236 HydrophobicContact CD1-CG 4.22Å; L233-L236 PolarHBondContact O-N 3.43Å; L233-R237 VanDerWaalsContact O-CB 3.3Å; L233-R237 WeakPolarHBondContact O-CB 3.25Å; L233-R237 PolarHBondContact O-N 3.32Å; L233-F253 HydrophobicContact CD1-CE1 4.38Å; L233-F253 HydrophobicContact CD2-CE1 4.44Å; L233-P254 HydrophobicContact CD2-CB 3.71Å; L233-P254 HydrophobicContact CD2-CG 3.6Å; L233-I265 HydrophobicContact CD2-CD1 3.91Å; L233-W270 HydrophobicContact CD1-CZ3 4.44Å
234	R	91.5	Very high	90.6	Very high	176 Å²	176	70 Å²	70	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-57.3	-52.2	-169.6	-169.6	-179	102.2	-179	5.5	112.6	S230 G231 E232 R237 E238	S230-R234 PolarHBondContact O-N 2.92Å; G231-R234 WeakPolarHBondContact O-CB 2.85Å; G231-R234 PolarHBondContact O-N 3.13Å; E232-R234 VanDerWaalsContact C-N 3.26Å; E232-R234 PolarHBondContact O-N 3.37Å; R234-R237 PolarHBondContact O-N 3.41Å; R234-E238 PolarHBondContact O-N 2.81Å
235	R	91.1	Very high	90.4	Very high	214 Å²	214	68.6 Å²	68.6	81%	0.808	35%	0.347	S	S	*	.	H	α-helix	trans	-64	-45.1	-178.1	-68.8	-176	-178.1	-173.1	0.6	111.7	L233 R237 E238 L239	L233-R235 PolarHBondContact O-N 2.89Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 3.15Å; R235-E238 PolarHBondContact O-N 2.55Å; R235-L239 PolarHBondContact O-N 2.93Å
236	L	91.8	Very high	90.3	Very high	6 Å²	6	67 Å²	67	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-39.7	179	174.3	58.8	0	0	0	111.5	M184 F185 L220 L233 E238 L239 I240 W270	M184-L236 HydrophobicContact CE-CD1 3.76Å; F185-L236 HydrophobicContact CE1-CD1 3.66Å; F185-L236 HydrophobicContact CE1-CD2 4Å; F185-L236 HydrophobicContact CZ-CD1 4.15Å; F185-L236 HydrophobicContact CZ-CD2 3.8Å; L220-L236 HydrophobicContact CD1-CD2 3.5Å; L220-L236 HydrophobicContact CD2-CB 4.01Å; L220-L236 HydrophobicContact CD2-CD2 4.06Å; L220-L236 HydrophobicContact CG-CD2 4.39Å; L233-L236 HydrophobicContact CD1-CB 4.2Å; L233-L236 HydrophobicContact CD1-CD2 3.74Å; L233-L236 HydrophobicContact CD1-CG 4.22Å; L233-L236 PolarHBondContact O-N 3.43Å; L236-E238 VanDerWaalsContact C-N 3.3Å; L236-E238 PolarHBondContact O-N 3.07Å; L236-L239 PolarHBondContact O-N 3.4Å; L236-I240 HydrophobicContact CD1-CD1 3.79Å; L236-I240 HydrophobicContact CD1-CG1 3.73Å; L236-I240 HydrophobicContact CD2-CD1 4.13Å; L236-I240 HydrophobicContact CG-CD1 3.62Å; L236-I240 HydrophobicContact CG-CG1 4.05Å; L236-I240 WeakPolarHBondContact O-CB 3.27Å; L236-I240 VanDerWaalsContact O-CG1 3.23Å; L236-I240 WeakPolarHBondContact O-CG1 3.43Å; L236-I240 PolarHBondContact O-N 3.07Å; L236-W270 HydrophobicContact CD2-CH2 4.03Å
237	R	91.3	Very high	90.1	Very high	67 Å²	67	66.1 Å²	66.1	25%	0.253	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-39.8	178.6	-171.6	-175.8	-61.1	163.7	-1	112.5	L233 R234 R235 K241	L233-R237 VanDerWaalsContact O-CB 3.3Å; L233-R237 WeakPolarHBondContact O-CB 3.25Å; L233-R237 PolarHBondContact O-N 3.32Å; R234-R237 PolarHBondContact O-N 3.41Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 3.15Å; R237-K241 VanDerWaalsContact O-CG 3.3Å; R237-K241 WeakPolarHBondContact O-CG 3.23Å; R237-K241 PolarHBondContact O-N 3.27Å; R237-K241 VanDerWaalsContact O-N 3.09Å
238	E	90	Very high	89.8	Confident	100 Å²	100	63.8 Å²	63.8	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-41.7	176.8	-61.9	-46	126.6	0	0	111.8	R234 R235 L236 I240 K241 A242	R234-E238 PolarHBondContact O-N 2.81Å; R235-E238 PolarHBondContact O-N 2.55Å; L236-E238 VanDerWaalsContact C-N 3.3Å; L236-E238 PolarHBondContact O-N 3.07Å; E238-I240 PolarHBondContact O-N 3.49Å; E238-K241 PolarHBondContact O-N 2.84Å; E238-K241 IonicContact OE1-NZ 3.34Å; E238-K241 PolarHBondContact OE1-NZ 3.28Å; E238-K241 IonicContact OE2-NZ 2.73Å; E238-K241 PolarHBondContact OE2-NZ 2.94Å; E238-A242 PolarHBondContact O-N 3.28Å; E238-A242 VanDerWaalsContact O-N 3.17Å
239	L	90.5	Very high	89.5	Confident	89 Å²	89	63.8 Å²	63.8	47%	0.466	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-44.3	173.2	-69.6	172.3	0	0	0	112.3	R235 L236 K241 A242 L243	R235-L239 PolarHBondContact O-N 2.93Å; L236-L239 PolarHBondContact O-N 3.4Å; L239-K241 PolarHBondContact O-N 3.06Å; L239-A242 PolarHBondContact O-N 3.06Å; L239-L243 HydrophobicContact CD2-CD1 4.28Å; L239-L243 WeakPolarHBondContact O-CB 3.34Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.25Å
240	I	91	Very high	89.3	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-43.6	179.3	-70.7	175.8	0	0	0	111	F177 L181 M184 L236 E238 A242 V244 A250 F253	F177-I240 HydrophobicContact CE2-CG2 3.55Å; F177-I240 HydrophobicContact CZ-CG2 3.48Å; F177-I240 VanDerWaalsContact CZ-CG2 3.48Å; L181-I240 HydrophobicContact CD1-CD1 3.55Å; L181-I240 HydrophobicContact CD1-CG1 3.58Å; L181-I240 HydrophobicContact CD2-CD1 4.1Å; M184-I240 HydrophobicContact CE-CG1 4.3Å; L236-I240 HydrophobicContact CD1-CD1 3.79Å; L236-I240 HydrophobicContact CD1-CG1 3.73Å; L236-I240 HydrophobicContact CD2-CD1 4.13Å; L236-I240 HydrophobicContact CG-CD1 3.62Å; L236-I240 HydrophobicContact CG-CG1 4.05Å; L236-I240 WeakPolarHBondContact O-CB 3.27Å; L236-I240 VanDerWaalsContact O-CG1 3.23Å; L236-I240 WeakPolarHBondContact O-CG1 3.43Å; L236-I240 PolarHBondContact O-N 3.07Å; E238-I240 PolarHBondContact O-N 3.49Å; I240-A242 VanDerWaalsContact C-N 3.25Å; I240-A242 PolarHBondContact O-N 2.89Å; I240-V244 HydrophobicContact CG2-CB 4.2Å; I240-V244 HydrophobicContact CG2-CG2 4.46Å; I240-V244 WeakPolarHBondContact O-CB 3.33Å; I240-V244 PolarHBondContact O-N 3.46Å; I240-A250 HydrophobicContact CG2-CB 3.83Å; I240-F253 HydrophobicContact CD1-CD1 3.61Å; I240-F253 HydrophobicContact CD1-CE1 3.57Å; I240-F253 HydrophobicContact CD1-CG 4.47Å; I240-F253 HydrophobicContact CD1-CZ 4.39Å
241	K	88.7	Confident	89.1	Confident	78 Å²	78	66.4 Å²	66.4	34%	0.339	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-35.1	177	-73.4	168	-178.4	169.6	0	112.4	R237 E238 L239 A250	R237-K241 VanDerWaalsContact O-CG 3.3Å; R237-K241 WeakPolarHBondContact O-CG 3.23Å; R237-K241 PolarHBondContact O-N 3.27Å; R237-K241 VanDerWaalsContact O-N 3.09Å; E238-K241 PolarHBondContact O-N 2.84Å; E238-K241 IonicContact OE1-NZ 3.34Å; E238-K241 PolarHBondContact OE1-NZ 3.28Å; E238-K241 IonicContact OE2-NZ 2.73Å; E238-K241 PolarHBondContact OE2-NZ 2.94Å; L239-K241 PolarHBondContact O-N 3.06Å; K241-A250 HydrophobicContact CG-CB 4.49Å
242	A	89.2	Confident	88.9	Confident	76 Å²	76	70 Å²	70	63%	0.628	33%	0.328	S	S	*	.	H	α-helix	trans	-81.3	-39.4	-178.6	0	0	0	0	0	113.1	E238 L239 I240	E238-A242 PolarHBondContact O-N 3.28Å; E238-A242 VanDerWaalsContact O-N 3.17Å; L239-A242 PolarHBondContact O-N 3.06Å; I240-A242 VanDerWaalsContact C-N 3.25Å; I240-A242 PolarHBondContact O-N 2.89Å
243	L	88	Confident	88.8	Confident	119 Å²	119	68.5 Å²	68.5	62%	0.623	32%	0.321	S	S	*	.	H	α-helix	trans	-109.7	-20.8	-165.2	-58.7	177	0	0	0	114.6	M184 L239	M184-L243 HydrophobicContact SD-CB 4.38Å; M184-L243 HydrophobicContact SD-CD1 4.42Å; L239-L243 HydrophobicContact CD2-CD1 4.28Å; L239-L243 WeakPolarHBondContact O-CB 3.34Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.25Å
244	V	88	Confident	88.6	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.024	33%	0.326	C	S	.	.	S	Bend	trans	-112.6	113.8	-169.7	-173.4	0	0	0	0	111.4	F177 N180 L181 M184 I240	F177-V244 HydrophobicContact CD2-CG1 3.75Å; F177-V244 HydrophobicContact CE2-CB 4.14Å; F177-V244 HydrophobicContact CE2-CG1 3.67Å; N180-V244 HydrophobicContact CB-CG1 3.78Å; L181-V244 HydrophobicContact CB-CG1 4.27Å; L181-V244 HydrophobicContact CD1-CG2 4.18Å; M184-V244 HydrophobicContact CB-CG2 4.47Å; M184-V244 HydrophobicContact SD-CG2 3.68Å; I240-V244 HydrophobicContact CG2-CB 4.2Å; I240-V244 HydrophobicContact CG2-CG2 4.46Å; I240-V244 WeakPolarHBondContact O-CB 3.33Å; I240-V244 PolarHBondContact O-N 3.46Å
245	Q	85.8	Confident	88.3	Confident	112 Å²	112	68.7 Å²	68.7	52%	0.523	33%	0.328	S	S	.	.	S	Bend	trans	-86.3	147.3	173.2	-64.2	-65.5	-13.6	0	0	111.5	N180	N180-Q245 PolarHBondContact ND2-O 3.4Å
246	P	87.4	Confident	88.1	Confident	27 Å²	27	60.6 Å²	60.6	18%	0.175	30%	0.299	C	S	.	.			cis	-78.9	135.8	-2.5	-17.9	34.3	0	0	0	114	Y173 A248 C249 A250	Y173-P246 HydrophobicContact CD1-CG 3.94Å; Y173-P246 HydrophobicContact CG-CG 4.4Å; P246-A248 PolarHBondContact O-N 3.13Å; P246-A248 VanDerWaalsContact O-N 3.15Å; P246-C249 WeakPolarHBondContact O-CB 3.3Å; P246-C249 PolarHBondContact O-N 3.09Å; P246-A250 PolarHBondContact O-N 3.42Å
247	T	85.9	Confident	87.8	Confident	62 Å²	62	60.3 Å²	60.3	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-30.1	179.7	57	0	0	0	0	114.1	C249 A250 K251	T247-C249 PolarHBondContact O-N 3.38Å; T247-A250 WeakPolarHBondContact O-CB 3.31Å; T247-A250 PolarHBondContact O-N 2.86Å; T247-K251 WeakPolarHBondContact O-CG 3.13Å; T247-K251 PolarHBondContact O-N 2.98Å
248	A	85.5	Confident	87.7	Confident	20 Å²	20	57.9 Å²	57.9	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-36.4	174.2	0	0	0	0	0	112.7	G167 P246	G167-A248 VanDerWaalsContact O-CB 3.31Å; G167-A248 WeakPolarHBondContact O-CB 3.05Å; P246-A248 PolarHBondContact O-N 3.13Å; P246-A248 VanDerWaalsContact O-N 3.15Å
249	C	87.6	Confident	87.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-80.5	-39.5	175.8	-66.7	0	0	0	0	111.7	C169 Y173 F177 P246 T247 K251 R252 F253	C169-C249 HydrophobicContact CB-CB 3.99Å; C169-C249 WeakPolarHBondContact CB-SG 3.4Å; C169-C249 WeakPolarHBondContact SG-CA 3.39Å; C169-C249 WeakPolarHBondContact SG-CB 3.08Å; C169-C249 CovalentContact SG-SG 2.03Å; C169-C249 PolarHBondContact SG-SG 3.07Å; Y173-C249 VanDerWaalsContact C-SG 3.54Å; F177-C249 HydrophobicContact CB-CB 3.62Å; F177-C249 HydrophobicContact CD1-CB 4.17Å; F177-C249 HydrophobicContact CD2-CB 3.78Å; F177-C249 HydrophobicContact CG-CB 3.55Å; P246-C249 WeakPolarHBondContact O-CB 3.3Å; P246-C249 PolarHBondContact O-N 3.09Å; T247-C249 PolarHBondContact O-N 3.38Å; C249-K251 VanDerWaalsContact C-N 3.28Å; C249-K251 PolarHBondContact O-N 3.07Å; C249-R252 CarbonylContact O-C 3.51Å; C249-R252 PolarHBondContact O-N 3.36Å; C249-F253 PolarHBondContact O-N 3.25Å
250	A	88	Confident	86.5	Confident	1 Å²	1	58 Å²	58	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-53	-43.7	175.3	0	0	0	0	0	112.7	F177 I240 K241 P246 T247 R252 F253	F177-A250 HydrophobicContact CD2-CB 4.44Å; F177-A250 VanDerWaalsContact CE2-CA 3.44Å; F177-A250 HydrophobicContact CE2-CB 3.74Å; I240-A250 HydrophobicContact CG2-CB 3.83Å; K241-A250 HydrophobicContact CG-CB 4.49Å; P246-A250 PolarHBondContact O-N 3.42Å; T247-A250 WeakPolarHBondContact O-CB 3.31Å; T247-A250 PolarHBondContact O-N 2.86Å; A250-R252 PolarHBondContact O-N 3.21Å; A250-F253 PolarHBondContact O-N 3.46Å
251	K	84.8	Confident	86.1	Confident	158 Å²	158	64.7 Å²	64.7	69%	0.687	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.8	177.4	-71.3	179.6	-178.2	-177.8	0	113.7	T247 C249	T247-K251 WeakPolarHBondContact O-CG 3.13Å; T247-K251 PolarHBondContact O-N 2.98Å; C249-K251 VanDerWaalsContact C-N 3.28Å; C249-K251 PolarHBondContact O-N 3.07Å
252	R	86.7	Confident	86.1	Confident	126 Å²	126	63.7 Å²	63.7	48%	0.475	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-1.5	-176.8	-61.9	-174.9	-175	-173	2.2	113.6	C249 A250 K255 F256	C249-R252 CarbonylContact O-C 3.51Å; C249-R252 PolarHBondContact O-N 3.36Å; A250-R252 PolarHBondContact O-N 3.21Å; R252-K255 WeakPolarHBondContact O-CB 3.44Å; R252-K255 PolarHBondContact O-N 2.84Å; R252-F256 HydrophobicContact CB-CD1 4.18Å; R252-F256 VanDerWaalsContact O-CD1 3.24Å; R252-F256 WeakPolarHBondContact O-CD1 3.38Å; R252-F256 PolarHBondContact O-N 2.03Å
253	F	88.9	Confident	86	Confident	1 Å²	1	70.3 Å²	70.3	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-47.8	-57.1	-169.7	165.7	-117.1	0	0	0	115.2	F177 I178 L181 L233 I240 C249 A250 K255 F256 C257 W270 M274	F177-F253 HydrophobicContact CE1-CB 3.87Å; F177-F253 AromaticContact CE1-CD2 3.44Å; F177-F253 HydrophobicContact CE1-CD2 3.44Å; F177-F253 VanDerWaalsContact CE1-CD2 3.44Å; F177-F253 HydrophobicContact CE1-CE2 4.18Å; F177-F253 AromaticContact CE1-CG 3.85Å; F177-F253 HydrophobicContact CE1-CG 3.85Å; F177-F253 HydrophobicContact CZ-CB 3.71Å; F177-F253 AromaticContact CZ-CD2 3.94Å; F177-F253 HydrophobicContact CZ-CD2 3.94Å; F177-F253 AromaticContact CZ-CG 3.86Å; F177-F253 HydrophobicContact CZ-CG 3.86Å; I178-F253 HydrophobicContact CD1-CE2 4.27Å; L181-F253 HydrophobicContact CD2-CD2 4.13Å; L181-F253 HydrophobicContact CD2-CE1 4.24Å; L181-F253 HydrophobicContact CD2-CE2 3.55Å; L181-F253 HydrophobicContact CD2-CZ 3.63Å; L233-F253 HydrophobicContact CD1-CE1 4.38Å; L233-F253 HydrophobicContact CD2-CE1 4.44Å; I240-F253 HydrophobicContact CD1-CD1 3.61Å; I240-F253 HydrophobicContact CD1-CE1 3.57Å; I240-F253 HydrophobicContact CD1-CG 4.47Å; I240-F253 HydrophobicContact CD1-CZ 4.39Å; C249-F253 PolarHBondContact O-N 3.25Å; A250-F253 PolarHBondContact O-N 3.46Å; F253-K255 VanDerWaalsContact C-N 3.25Å; F253-K255 PolarHBondContact O-N 3.01Å; F253-F256 HydrophobicContact CB-CE1 4.2Å; F253-F256 HydrophobicContact CB-CZ 4.38Å; F253-F256 HydrophobicContact CD2-CE1 4.45Å; F253-F256 HydrophobicContact CD2-CE2 4.24Å; F253-F256 AromaticContact CD2-CZ 3.85Å; F253-F256 HydrophobicContact CD2-CZ 3.85Å; F253-F256 PolarHBondContact O-N 3.5Å; F253-C257 WeakPolarHBondContact CE2-SG 3.13Å; F253-C257 PolarHBondContact O-N 3.42Å; F253-W270 HydrophobicContact CE1-CZ3 4.06Å; F253-W270 HydrophobicContact CZ-CE3 4.37Å; F253-W270 HydrophobicContact CZ-CH2 4.04Å; F253-W270 AromaticContact CZ-CZ3 3.55Å; F253-W270 HydrophobicContact CZ-CZ3 3.55Å; F253-M274 HydrophobicContact CE2-CE 3.63Å; F253-M274 HydrophobicContact CZ-CE 3.46Å; F253-M274 VanDerWaalsContact CZ-CE 3.46Å
254	P	89.2	Confident	86.2	Confident	18 Å²	18	68 Å²	68	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-38.3	-179	-17.3	27.7	0	0	0	112.2	L233 F256 C257 D258 I265	L233-P254 HydrophobicContact CD2-CB 3.71Å; L233-P254 HydrophobicContact CD2-CG 3.6Å; P254-F256 VanDerWaalsContact C-N 3.31Å; P254-F256 PolarHBondContact O-N 3.11Å; P254-C257 PolarHBondContact O-N 3.12Å; P254-D258 WeakPolarHBondContact O-CB 3.12Å; P254-D258 PolarHBondContact O-N 2.83Å; P254-I265 HydrophobicContact CB-CD1 4.32Å
255	K	85.4	Confident	86.3	Confident	163 Å²	163	68 Å²	68	71%	0.709	32%	0.316	S	S	*	.	H	α-helix	trans	-68.3	-27.5	-174.3	-64.1	-173.5	176.2	-174	0	113.6	R252 F253	R252-K255 WeakPolarHBondContact O-CB 3.44Å; R252-K255 PolarHBondContact O-N 2.84Å; F253-K255 VanDerWaalsContact C-N 3.25Å; F253-K255 PolarHBondContact O-N 3.01Å
256	F	86.5	Confident	86.4	Confident	45 Å²	45	63.5 Å²	63.5	20%	0.197	30%	0.297	C	S	.	.	H	α-helix	trans	-95	-14.1	177	72.8	-113.7	0	0	0	113.1	F177 I178 R252 F253 P254 C273	F177-F256 HydrophobicContact CD1-CE1 4.44Å; F177-F256 AromaticContact CD1-CZ 3.8Å; F177-F256 HydrophobicContact CD1-CZ 3.8Å; F177-F256 HydrophobicContact CE1-CE1 4.45Å; F177-F256 AromaticContact CE1-CZ 3.85Å; F177-F256 HydrophobicContact CE1-CZ 3.85Å; I178-F256 HydrophobicContact CD1-CE2 4.05Å; I178-F256 HydrophobicContact CD1-CZ 4.22Å; I178-F256 HydrophobicContact CG1-CE2 4.48Å; R252-F256 HydrophobicContact CB-CD1 4.18Å; R252-F256 VanDerWaalsContact O-CD1 3.24Å; R252-F256 WeakPolarHBondContact O-CD1 3.38Å; R252-F256 PolarHBondContact O-N 2.03Å; F253-F256 HydrophobicContact CB-CE1 4.2Å; F253-F256 HydrophobicContact CB-CZ 4.38Å; F253-F256 HydrophobicContact CD2-CE1 4.45Å; F253-F256 HydrophobicContact CD2-CE2 4.24Å; F253-F256 AromaticContact CD2-CZ 3.85Å; F253-F256 HydrophobicContact CD2-CZ 3.85Å; F253-F256 PolarHBondContact O-N 3.5Å; P254-F256 VanDerWaalsContact C-N 3.31Å; P254-F256 PolarHBondContact O-N 3.11Å; F256-C273 VanDerWaalsContact CE2-SG 3.54Å
257	C	85.9	Confident	86.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-86.7	-25	171.8	-67.5	0	0	0	0	113	F253 P254 L259 I265 E269 C273	F253-C257 WeakPolarHBondContact CE2-SG 3.13Å; F253-C257 PolarHBondContact O-N 3.42Å; P254-C257 PolarHBondContact O-N 3.12Å; C257-L259 PolarHBondContact O-N 3.36Å; C257-L259 VanDerWaalsContact O-N 3.16Å; C257-I265 HydrophobicContact CB-CD1 3.96Å; C257-I265 HydrophobicContact CB-CG1 4.47Å; C257-I265 HydrophobicContact CB-CG2 4.41Å; C257-E269 WeakPolarHBondContact O-CB 3.42Å; C257-C273 WeakPolarHBondContact CA-SG 3.39Å; C257-C273 HydrophobicContact CB-CB 3.57Å; C257-C273 WeakPolarHBondContact CB-SG 3.33Å; C257-C273 WeakPolarHBondContact SG-CB 3.5Å; C257-C273 CovalentContact SG-SG 2.03Å; C257-C273 PolarHBondContact SG-SG 2.95Å
258	D	87.8	Confident	86.2	Confident	16 Å²	16	66 Å²	66	9%	0.086	31%	0.306	C	S	.	.			trans	-73.4	93.9	171.2	177.7	5.5	0	0	0	109.3	P254 H261 D262 R263	P254-D258 WeakPolarHBondContact O-CB 3.12Å; P254-D258 PolarHBondContact O-N 2.83Å; D258-H261 VanDerWaalsContact CG-CA 3.49Å; D258-H261 PolarHBondContact O-CE1 3.17Å; D258-H261 PolarHBondContact O-ND1 3.34Å; D258-H261 WeakPolarHBondContact OD1-CA 3.29Å; D258-H261 PolarHBondContact OD1-N 3.08Å; D258-H261 WeakPolarHBondContact OD2-CA 3.41Å; D258-D262 PolarHBondContact OD1-N 3.02Å; D258-D262 VanDerWaalsContact OD1-N 3.1Å; D258-R263 WeakPolarHBondContact OD2-CA 3.3Å; D258-R263 PolarHBondContact OD2-N 3.26Å
259	L	77.8	Confident	86.3	Confident	94 Å²	94	65.5 Å²	65.5	49%	0.492	30%	0.301	S	S	.	.	S	Bend	trans	-83.5	-31.7	-170.6	-60.5	-179.1	0	0	0	111.9	C257 E269 I272	C257-L259 PolarHBondContact O-N 3.36Å; C257-L259 VanDerWaalsContact O-N 3.16Å; L259-E269 WeakPolarHBondContact CA-OE1 3.46Å; L259-E269 HydrophobicContact CB-CG 4.05Å; L259-E269 WeakPolarHBondContact CB-OE1 3Å; L259-E269 HydrophobicContact CD1-CG 4.11Å; L259-E269 HydrophobicContact CG-CG 4.02Å; L259-E269 PolarHBondContact N-OE1 3.1Å; L259-I272 HydrophobicContact CD1-CB 4.37Å; L259-I272 HydrophobicContact CD1-CD1 4.38Å; L259-I272 HydrophobicContact CD1-CG2 3.86Å
260	D	77.8	Confident	86.4	Confident	97 Å²	97	65.5 Å²	65.5	52%	0.519	30%	0.301	S	S	.	.	S	Bend	trans	-93.2	-4.9	175.6	73.1	11.6	0	0	0	113.8	D262 E269	D260-D262 VanDerWaalsContact C-N 3.3Å; D260-D262 PolarHBondContact O-N 3.45Å; D260-D262 VanDerWaalsContact OD1-CB 3.25Å; D260-D262 WeakPolarHBondContact OD1-CB 3.46Å; D260-D262 VanDerWaalsContact OD1-CG 3.23Å; D260-D262 PolarHBondContact OD1-N 2.89Å; D260-E269 PolarHBondContact N-OE1 2.95Å
261	H	83.2	Confident	86.1	Confident	142 Å²	142	65.5 Å²	65.5	66%	0.657	30%	0.301	S	S	*	.			trans	64.9	28	177.4	-56.4	-41.8	0	0	0	113.8	D258 R263	D258-H261 VanDerWaalsContact CG-CA 3.49Å; D258-H261 PolarHBondContact O-CE1 3.17Å; D258-H261 PolarHBondContact O-ND1 3.34Å; D258-H261 WeakPolarHBondContact OD1-CA 3.29Å; D258-H261 PolarHBondContact OD1-N 3.08Å; D258-H261 WeakPolarHBondContact OD2-CA 3.41Å; H261-R263 PolarHBondContact O-N 2.9Å
262	D	88	Confident	85.7	Confident	57 Å²	57	61.1 Å²	61.1	31%	0.305	28%	0.284	S	S	.	.	S	Bend	trans	-79.6	1.6	177.1	86	-4	0	0	0	114	K227 D258 D260 K264	K227-D262 IonicContact NZ-OD2 3.55Å; K227-D262 PolarHBondContact NZ-OD2 3.35Å; D258-D262 PolarHBondContact OD1-N 3.02Å; D258-D262 VanDerWaalsContact OD1-N 3.1Å; D260-D262 VanDerWaalsContact C-N 3.3Å; D260-D262 PolarHBondContact O-N 3.45Å; D260-D262 VanDerWaalsContact OD1-CB 3.25Å; D260-D262 WeakPolarHBondContact OD1-CB 3.46Å; D260-D262 VanDerWaalsContact OD1-CG 3.23Å; D260-D262 PolarHBondContact OD1-N 2.89Å; D262-K264 PolarHBondContact O-N 3.26Å; D262-K264 VanDerWaalsContact OD1-CA 3.3Å; D262-K264 WeakPolarHBondContact OD1-CA 2.75Å; D262-K264 VanDerWaalsContact OD1-CB 3.27Å; D262-K264 WeakPolarHBondContact OD1-CB 3.26Å; D262-K264 PolarHBondContact OD1-N 3.4Å
263	R	88	Confident	85.6	Confident	215 Å²	215	56.2 Å²	56.2	81%	0.811	27%	0.268	S	S	*	.	S	Bend	trans	68.3	5.9	-176.8	-50.4	-179.7	179.5	-168.6	1.1	114.5	D258 H261	D258-R263 WeakPolarHBondContact OD2-CA 3.3Å; D258-R263 PolarHBondContact OD2-N 3.26Å; H261-R263 PolarHBondContact O-N 2.9Å
264	K	91.4	Very high	85.4	Confident	71 Å²	71	56.3 Å²	56.3	31%	0.309	27%	0.269	S	S	.	.	S	Bend	trans	-112.9	171.6	167.5	-55.8	-173.8	169.5	-165	0	108.3	D225 K227 I228 D262	D225-K264 IonicContact OD2-NZ 3.02Å; D225-K264 PolarHBondContact OD2-NZ 3Å; K227-K264 HydrophobicContact CB-CB 4.08Å; K227-K264 HydrophobicContact CB-CD 4Å; K227-K264 HydrophobicContact CD-CB 4.36Å; K227-K264 HydrophobicContact CD-CD 3.87Å; I228-K264 WeakPolarHBondContact O-CA 3.49Å; D262-K264 PolarHBondContact O-N 3.26Å; D262-K264 VanDerWaalsContact OD1-CA 3.3Å; D262-K264 WeakPolarHBondContact OD1-CA 2.75Å; D262-K264 VanDerWaalsContact OD1-CB 3.27Å; D262-K264 WeakPolarHBondContact OD1-CB 3.26Å; D262-K264 PolarHBondContact OD1-N 3.4Å
265	I	89.8	Confident	84.5	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	105	173.2	-54.9	172.7	0	0	0	106.8	K227 I228 L233 P254 C257 E269 W270	K227-I265 CarbonylContact C-O 3.57Å; K227-I265 WeakPolarHBondContact CA-O 3.49Å; I228-I265 HydrophobicContact CB-CB 4.5Å; I228-I265 PolarHBondContact N-O 2.84Å; I228-I265 PolarHBondContact O-N 3.4Å; L233-I265 HydrophobicContact CD2-CD1 3.91Å; P254-I265 HydrophobicContact CB-CD1 4.32Å; C257-I265 HydrophobicContact CB-CD1 3.96Å; C257-I265 HydrophobicContact CB-CG1 4.47Å; C257-I265 HydrophobicContact CB-CG2 4.41Å; I265-E269 HydrophobicContact CG2-CB 3.83Å; I265-W270 HydrophobicContact CG2-CB 3.91Å; I265-W270 HydrophobicContact CG2-CE3 4.33Å
266	S	89.2	Confident	83.5	Confident	17 Å²	17	49.7 Å²	49.7	12%	0.119	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	158.3	174.3	64.8	0	0	0	0	112	S268 E269 W270	S266-S268 PolarHBondContact O-N 3.08Å; S266-S268 PolarHBondContact OG-OG 3.01Å; S266-S268 VanDerWaalsContact OG-OG 3.1Å; S266-E269 WeakPolarHBondContact CB-OE2 3.38Å; S266-E269 PolarHBondContact N-OE2 3.36Å; S266-E269 PolarHBondContact O-N 3.32Å; S266-E269 WeakPolarHBondContact OG-CB 3.03Å; S266-E269 VanDerWaalsContact OG-CD 3.3Å; S266-E269 WeakPolarHBondContact OG-CG 3.4Å; S266-E269 PolarHBondContact OG-N 2.99Å; S266-E269 PolarHBondContact OG-OE2 3.13Å; S266-W270 PolarHBondContact O-N 3.47Å
267	R	88.1	Confident	82	Confident	74 Å²	74	49.9 Å²	49.9	28%	0.279	25%	0.253	S	S	.	.	H	α-helix	trans	-49.4	-43.6	175.3	-171.6	-175.6	-68.6	-101.3	-2.2	112.4	E214 F217 N218 N226 W270 T271	E214-R267 IonicContact OE2-CZ 2.74Å; E214-R267 IonicContact OE2-NH1 2.66Å; E214-R267 PolarHBondContact OE2-NH1 3.2Å; F217-R267 HydrophobicContact CD1-CB 4.39Å; F217-R267 HydrophobicContact CD1-CG 4.19Å; F217-R267 HydrophobicContact CE1-CB 3.88Å; F217-R267 HydrophobicContact CE1-CG 4.17Å; F217-R267 VanDerWaalsContact CE2-CA 3.42Å; F217-R267 HydrophobicContact CE2-CB 4.13Å; F217-R267 HydrophobicContact CG-CG 4.48Å; F217-R267 VanDerWaalsContact CZ-CA 3.5Å; F217-R267 HydrophobicContact CZ-CB 3.75Å; F217-R267 HydrophobicContact CZ-CG 4.41Å; N218-R267 PolarHBondContact OD1-NH1 3.36Å; N218-R267 PolarHBondContact OD1-NH2 3.46Å; N226-R267 PolarHBondContact O-N 3.5Å; N226-R267 PolarHBondContact OD1-NE 2.71Å; N226-R267 PolarHBondContact OD1-NH2 3.36Å; R267-W270 PolarHBondContact O-N 3.44Å; R267-T271 WeakPolarHBondContact O-CG2 3.5Å; R267-T271 PolarHBondContact O-N 2.96Å; R267-T271 VanDerWaalsContact O-N 3.07Å; R267-T271 PolarHBondContact O-OG1 3.31Å
268	S	81.3	Confident	80.2	Confident	68 Å²	68	53 Å²	53	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-42	176.9	42.2	0	0	0	0	113.5	S266 W270 T271 I272	S266-S268 PolarHBondContact O-N 3.08Å; S266-S268 PolarHBondContact OG-OG 3.01Å; S266-S268 VanDerWaalsContact OG-OG 3.1Å; S268-W270 VanDerWaalsContact C-N 3.31Å; S268-W270 PolarHBondContact O-N 3.25Å; S268-T271 PolarHBondContact O-N 3.18Å; S268-T271 PolarHBondContact O-OG1 3.29Å; S268-T271 VanDerWaalsContact O-OG1 3.07Å; S268-I272 VanDerWaalsContact O-CB 3.26Å; S268-I272 WeakPolarHBondContact O-CB 3.36Å; S268-I272 VanDerWaalsContact O-CD1 3.29Å; S268-I272 WeakPolarHBondContact O-CD1 3.39Å; S268-I272 WeakPolarHBondContact O-CG1 3.38Å; S268-I272 PolarHBondContact O-N 3.3Å
269	E	86.7	Confident	78.3	Confident	9 Å²	9	54 Å²	54	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-38.8	178	-75.4	170.3	127.6	0	0	111.6	C257 L259 D260 I265 S266 I272 C273	C257-E269 WeakPolarHBondContact O-CB 3.42Å; L259-E269 WeakPolarHBondContact CA-OE1 3.46Å; L259-E269 HydrophobicContact CB-CG 4.05Å; L259-E269 WeakPolarHBondContact CB-OE1 3Å; L259-E269 HydrophobicContact CD1-CG 4.11Å; L259-E269 HydrophobicContact CG-CG 4.02Å; L259-E269 PolarHBondContact N-OE1 3.1Å; D260-E269 PolarHBondContact N-OE1 2.95Å; I265-E269 HydrophobicContact CG2-CB 3.83Å; S266-E269 WeakPolarHBondContact CB-OE2 3.38Å; S266-E269 PolarHBondContact N-OE2 3.36Å; S266-E269 PolarHBondContact O-N 3.32Å; S266-E269 WeakPolarHBondContact OG-CB 3.03Å; S266-E269 VanDerWaalsContact OG-CD 3.3Å; S266-E269 WeakPolarHBondContact OG-CG 3.4Å; S266-E269 PolarHBondContact OG-N 2.99Å; S266-E269 PolarHBondContact OG-OE2 3.13Å; E269-I272 PolarHBondContact O-N 2.8Å; E269-C273 WeakPolarHBondContact O-CB 3.18Å; E269-C273 PolarHBondContact O-N 3.29Å
270	W	89.5	Confident	76.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-51.9	174.5	179.5	-102.4	0	0	0	111.6	F185 I213 K216 F217 L220 I228 L233 L236 F253 I265 S266 R267 S268 I272 C273 M274	F185-W270 AromaticContact CE2-CH2 3.95Å; F185-W270 HydrophobicContact CE2-CH2 3.95Å; F185-W270 AromaticContact CE2-CZ2 3.7Å; F185-W270 HydrophobicContact CE2-CZ2 3.7Å; F185-W270 AromaticContact CZ-CH2 3.93Å; F185-W270 HydrophobicContact CZ-CH2 3.93Å; F185-W270 HydrophobicContact CZ-CZ2 4.06Å; I213-W270 VanDerWaalsContact CG2-CD1 3.45Å; I213-W270 VanDerWaalsContact CG2-NE1 3.27Å; I213-W270 PolarHBondContact O-NE1 2.69Å; K216-W270 HydrophobicContact CB-CZ2 4.43Å; K216-W270 HydrophobicContact CG-CZ2 4.14Å; F217-W270 HydrophobicContact CB-CG 4.48Å; F217-W270 HydrophobicContact CD2-CB 3.65Å; F217-W270 AromaticContact CD2-CD1 3.63Å; F217-W270 HydrophobicContact CD2-CD2 4.15Å; F217-W270 AromaticContact CD2-CG 3.56Å; F217-W270 HydrophobicContact CD2-CG 3.56Å; F217-W270 HydrophobicContact CE2-CB 3.97Å; F217-W270 HydrophobicContact CE2-CG 4.33Å; F217-W270 HydrophobicContact CG-CG 4.47Å; L220-W270 HydrophobicContact CD1-CH2 3.86Å; L220-W270 HydrophobicContact CD1-CZ2 4.2Å; L220-W270 HydrophobicContact CD1-CZ3 4.4Å; I228-W270 HydrophobicContact CD1-CD2 4.11Å; I228-W270 HydrophobicContact CD1-CE3 3.86Å; I228-W270 HydrophobicContact CD1-CZ3 4.13Å; L233-W270 HydrophobicContact CD1-CZ3 4.44Å; L236-W270 HydrophobicContact CD2-CH2 4.03Å; F253-W270 HydrophobicContact CE1-CZ3 4.06Å; F253-W270 HydrophobicContact CZ-CE3 4.37Å; F253-W270 HydrophobicContact CZ-CH2 4.04Å; F253-W270 AromaticContact CZ-CZ3 3.55Å; F253-W270 HydrophobicContact CZ-CZ3 3.55Å; I265-W270 HydrophobicContact CG2-CB 3.91Å; I265-W270 HydrophobicContact CG2-CE3 4.33Å; S266-W270 PolarHBondContact O-N 3.47Å; R267-W270 PolarHBondContact O-N 3.44Å; S268-W270 VanDerWaalsContact C-N 3.31Å; S268-W270 PolarHBondContact O-N 3.25Å; W270-I272 VanDerWaalsContact C-N 3.33Å; W270-I272 PolarHBondContact O-N 3.02Å; W270-C273 PolarHBondContact O-N 2.89Å; W270-M274 HydrophobicContact CD2-CE 3.98Å; W270-M274 HydrophobicContact CE3-CE 3.85Å; W270-M274 HydrophobicContact CH2-CE 3.47Å; W270-M274 VanDerWaalsContact CH2-CE 3.47Å; W270-M274 HydrophobicContact CZ2-CE 3.6Å; W270-M274 HydrophobicContact CZ3-CE 3.61Å; W270-M274 WeakPolarHBondContact O-CB 3.26Å; W270-M274 WeakPolarHBondContact O-CG 3.18Å; W270-M274 PolarHBondContact O-N 3.5Å
271	T	82.9	Confident	74.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-33.6	-179.4	57.6	0	0	0	0	112.7	I213 E214 R267 S268 G275 V276 D277	I213-T271 HydrophobicContact CG2-CG2 4.4Å; E214-T271 WeakPolarHBondContact OE1-CG2 3.2Å; R267-T271 WeakPolarHBondContact O-CG2 3.5Å; R267-T271 PolarHBondContact O-N 2.96Å; R267-T271 VanDerWaalsContact O-N 3.07Å; R267-T271 PolarHBondContact O-OG1 3.31Å; S268-T271 PolarHBondContact O-N 3.18Å; S268-T271 PolarHBondContact O-OG1 3.29Å; S268-T271 VanDerWaalsContact O-OG1 3.07Å; T271-G275 PolarHBondContact O-N 2.87Å; T271-V276 HydrophobicContact CG2-CG2 4.11Å; T271-V276 WeakPolarHBondContact O-CG2 3.46Å; T271-V276 PolarHBondContact O-N 3.47Å; T271-D277 WeakPolarHBondContact CB-OD2 2.9Å; T271-D277 PolarHBondContact O-N 3.47Å; T271-D277 WeakPolarHBondContact OG1-CB 3.29Å; T271-D277 PolarHBondContact OG1-OD2 2.9Å
272	I	75.4	Confident	73	Confident	65 Å²	65	49 Å²	49	33%	0.333	25%	0.252	S	S	.	.	H	α-helix	trans	-67.6	-47	172.4	-69.2	165.2	0	0	0	110.6	L259 S268 E269 W270 M274 G275 D277	L259-I272 HydrophobicContact CD1-CB 4.37Å; L259-I272 HydrophobicContact CD1-CD1 4.38Å; L259-I272 HydrophobicContact CD1-CG2 3.86Å; S268-I272 VanDerWaalsContact O-CB 3.26Å; S268-I272 WeakPolarHBondContact O-CB 3.36Å; S268-I272 VanDerWaalsContact O-CD1 3.29Å; S268-I272 WeakPolarHBondContact O-CD1 3.39Å; S268-I272 WeakPolarHBondContact O-CG1 3.38Å; S268-I272 PolarHBondContact O-N 3.3Å; E269-I272 PolarHBondContact O-N 2.8Å; W270-I272 VanDerWaalsContact C-N 3.33Å; W270-I272 PolarHBondContact O-N 3.02Å; I272-M274 VanDerWaalsContact C-N 3.31Å; I272-M274 PolarHBondContact O-N 3.47Å; I272-G275 PolarHBondContact O-N 3.48Å; I272-D277 HydrophobicContact CG1-CB 4.24Å
273	C	84.6	Confident	71	Confident	23 Å²	23	49.7 Å²	49.7	16%	0.155	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-38.1	-178.2	-166.1	0	0	0	0	112	F256 C257 E269 W270 G275	F256-C273 VanDerWaalsContact CE2-SG 3.54Å; C257-C273 WeakPolarHBondContact CA-SG 3.39Å; C257-C273 HydrophobicContact CB-CB 3.57Å; C257-C273 WeakPolarHBondContact CB-SG 3.33Å; C257-C273 WeakPolarHBondContact SG-CB 3.5Å; C257-C273 CovalentContact SG-SG 2.03Å; C257-C273 PolarHBondContact SG-SG 2.95Å; E269-C273 WeakPolarHBondContact O-CB 3.18Å; E269-C273 PolarHBondContact O-N 3.29Å; W270-C273 PolarHBondContact O-N 2.89Å; C273-G275 PolarHBondContact O-N 2.99Å
274	M	85.3	Confident	68.7	Low	4 Å²	4	42.3 Å²	42.3	2%	0.02	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.3	175.3	-62.7	-61.5	168.7	0	0	113.2	I178 L181 I182 F185 I213 F253 W270 I272 V276	I178-M274 HydrophobicContact CD1-SD 4.1Å; I178-M274 HydrophobicContact CG2-SD 4.35Å; L181-M274 HydrophobicContact CD2-CE 3.65Å; L181-M274 HydrophobicContact CD2-SD 4.03Å; L181-M274 HydrophobicContact CG-CE 4.47Å; I182-M274 WeakPolarHBondContact CD1-O 3.38Å; I182-M274 HydrophobicContact CG1-SD 4.48Å; F185-M274 HydrophobicContact CE2-CE 4.02Å; F185-M274 HydrophobicContact CE2-SD 4.46Å; I213-M274 HydrophobicContact CD1-CB 3.9Å; I213-M274 HydrophobicContact CD1-CG 3.66Å; I213-M274 HydrophobicContact CD1-SD 3.99Å; I213-M274 HydrophobicContact CG1-CB 3.97Å; I213-M274 HydrophobicContact CG1-CG 4.18Å; I213-M274 HydrophobicContact CG2-CB 3.93Å; I213-M274 HydrophobicContact CG2-CG 3.84Å; F253-M274 HydrophobicContact CE2-CE 3.63Å; F253-M274 HydrophobicContact CZ-CE 3.46Å; F253-M274 VanDerWaalsContact CZ-CE 3.46Å; W270-M274 HydrophobicContact CD2-CE 3.98Å; W270-M274 HydrophobicContact CE3-CE 3.85Å; W270-M274 HydrophobicContact CH2-CE 3.47Å; W270-M274 VanDerWaalsContact CH2-CE 3.47Å; W270-M274 HydrophobicContact CZ2-CE 3.6Å; W270-M274 HydrophobicContact CZ3-CE 3.61Å; W270-M274 WeakPolarHBondContact O-CB 3.26Å; W270-M274 WeakPolarHBondContact O-CG 3.18Å; W270-M274 PolarHBondContact O-N 3.5Å; I272-M274 VanDerWaalsContact C-N 3.31Å; I272-M274 PolarHBondContact O-N 3.47Å; M274-V276 VanDerWaalsContact C-N 3.3Å; M274-V276 HydrophobicContact CB-CG2 4.41Å; M274-V276 PolarHBondContact O-N 3.29Å
275	G	69.9	Low	66.7	Low	37 Å²	37	42.5 Å²	42.5	38%	0.381	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	31.2	-178.2	0	0	0	0	0	113.2	T271 I272 C273 V278	T271-G275 PolarHBondContact O-N 2.87Å; I272-G275 PolarHBondContact O-N 3.48Å; C273-G275 PolarHBondContact O-N 2.99Å; G275-V278 VanDerWaalsContact C-CG2 3.5Å; G275-V278 WeakPolarHBondContact O-CG2 3.44Å
276	V	65.6	Low	64.7	Low	4 Å²	4	46.4 Å²	46.4	2%	0.024	25%	0.248	C	C	.	.	S	Bend	trans	-99.6	-23.3	170.6	-63.5	0	0	0	0	112.3	A209 R210 I213 T271 M274 V278	A209-V276 HydrophobicContact CB-CG1 4.01Å; R210-V276 HydrophobicContact CB-CB 4.24Å; R210-V276 HydrophobicContact CG-CB 4.49Å; I213-V276 HydrophobicContact CB-CG1 4.32Å; I213-V276 HydrophobicContact CB-CG2 3.98Å; I213-V276 HydrophobicContact CG1-CG1 3.8Å; I213-V276 HydrophobicContact CG1-CG2 4.26Å; I213-V276 HydrophobicContact CG2-CG2 3.69Å; T271-V276 HydrophobicContact CG2-CG2 4.11Å; T271-V276 WeakPolarHBondContact O-CG2 3.46Å; T271-V276 PolarHBondContact O-N 3.47Å; M274-V276 VanDerWaalsContact C-N 3.3Å; M274-V276 HydrophobicContact CB-CG2 4.41Å; M274-V276 PolarHBondContact O-N 3.29Å; V276-V278 VanDerWaalsContact C-N 3.32Å
277	D	54.9	Low	62.6	Low	50 Å²	50	49.3 Å²	49.3	27%	0.267	27%	0.265	S	S	.	.			trans	-96.4	35.2	167.7	-100.7	-37	0	0	0	112.6	R210 T271 I272 N279	R210-D277 IonicContact CZ-OD1 3.89Å; R210-D277 IonicContact CZ-OD2 2.76Å; R210-D277 IonicContact NH1-OD1 3.76Å; R210-D277 PolarHBondContact NH1-OD1 2.76Å; R210-D277 IonicContact NH1-OD2 3.87Å; R210-D277 IonicContact NH2-OD1 2.83Å; R210-D277 PolarHBondContact NH2-OD1 3.5Å; R210-D277 IonicContact NH2-OD2 3.78Å; R210-D277 PolarHBondContact NH2-OD2 3Å; T271-D277 WeakPolarHBondContact CB-OD2 2.9Å; T271-D277 PolarHBondContact O-N 3.47Å; T271-D277 WeakPolarHBondContact OG1-CB 3.29Å; T271-D277 PolarHBondContact OG1-OD2 2.9Å; I272-D277 HydrophobicContact CG1-CB 4.24Å; D277-N279 PolarHBondContact O-N 3.42Å
278	V	46.9	Very low	60.4	Low	66 Å²	66	50.4 Å²	50.4	40%	0.4	28%	0.276	S	S	.	.	S	Bend	trans	-69.9	89.8	160.3	-144.9	0	0	0	0	107.2	G275 V276	G275-V278 VanDerWaalsContact C-CG2 3.5Å; G275-V278 WeakPolarHBondContact O-CG2 3.44Å; V276-V278 VanDerWaalsContact C-N 3.32Å
279	N	47.9	Very low	59	Low	37 Å²	37	49.1 Å²	49.1	20%	0.198	26%	0.263	C	S	.	.			trans	37.1	113.3	175.9	-102.9	-4.5	0	0	0	114.6	S139 D277 A281 F282 R283	S139-N279 WeakPolarHBondContact CB-ND2 3.18Å; S139-N279 PolarHBondContact OG-ND2 3.22Å; D277-N279 PolarHBondContact O-N 3.42Å; N279-A281 HydrophobicContact CB-CB 4.1Å; N279-A281 CarbonylContact O-C 3.34Å; N279-A281 PolarHBondContact O-N 3.39Å; N279-F282 HydrophobicContact CB-CB 4Å; N279-F282 WeakPolarHBondContact O-CA 3.48Å; N279-F282 PolarHBondContact O-N 2.95Å; N279-R283 PolarHBondContact O-N 3.03Å
280	M	41.9	Very low	57.3	Low	95 Å²	95	52.9 Å²	52.9	47%	0.468	28%	0.28	S	S	.	.	H	α-helix	trans	-45.2	-31.8	156.2	-166.8	176.9	-160	0	0	111	L284 I475	M280-L284 WeakPolarHBondContact O-CA 3.37Å; M280-L284 WeakPolarHBondContact O-CB 3.29Å; M280-L284 PolarHBondContact O-N 3.35Å; M280-I475 HydrophobicContact CE-CB 4.48Å; M280-I475 HydrophobicContact CE-CG2 3.23Å; M280-I475 WeakPolarHBondContact CE-O 3.09Å; M280-I475 HydrophobicContact SD-CG2 3.68Å
281	A	37.8	Very low	55.3	Low	23 Å²	23	56.8 Å²	56.8	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-33.3	171.7	0	0	0	0	0	115.3	Y124 N279 F285	Y124-A281 HydrophobicContact CD2-CB 3.94Å; Y124-A281 HydrophobicContact CE2-CB 3.7Å; N279-A281 HydrophobicContact CB-CB 4.1Å; N279-A281 CarbonylContact O-C 3.34Å; N279-A281 PolarHBondContact O-N 3.39Å; A281-F285 WeakPolarHBondContact O-CB 3.45Å; A281-F285 PolarHBondContact O-N 3.23Å
282	F	47.9	Very low	53.6	Low	109 Å²	109	62.9 Å²	62.9	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-78.9	-39.2	175.6	-173.9	-108.4	0	0	0	110.8	N279 F285 L286	N279-F282 HydrophobicContact CB-CB 4Å; N279-F282 WeakPolarHBondContact O-CA 3.48Å; N279-F282 PolarHBondContact O-N 2.95Å; F282-F285 HydrophobicContact CD2-CD1 4.42Å; F282-F285 WeakPolarHBondContact O-CB 3.5Å; F282-F285 PolarHBondContact O-N 3.11Å; F282-L286 HydrophobicContact CD1-CD1 3.86Å; F282-L286 HydrophobicContact CD1-CG 4.39Å; F282-L286 HydrophobicContact CE1-CD1 3.46Å; F282-L286 VanDerWaalsContact CE1-CD1 3.46Å; F282-L286 HydrophobicContact CE1-CG 4.13Å; F282-L286 HydrophobicContact CZ-CD1 3.96Å; F282-L286 HydrophobicContact CZ-CD2 4.37Å; F282-L286 HydrophobicContact CZ-CG 4.25Å; F282-L286 WeakPolarHBondContact O-CB 3.2Å; F282-L286 VanDerWaalsContact O-CG 3.26Å; F282-L286 WeakPolarHBondContact O-CG 3.23Å; F282-L286 PolarHBondContact O-N 3.39Å
283	R	45.6	Very low	52.3	Low	72 Å²	72	61.3 Å²	61.3	27%	0.272	32%	0.317	S	S	.	.	H	α-helix	trans	-68.8	-41.6	171.4	-69.4	-156.6	177.5	-161.6	-1.6	112.5	S207 N279 F285 L286 T287	S207-R283 VanDerWaalsContact OG-CZ 3.23Å; S207-R283 PolarHBondContact OG-NH1 3.49Å; S207-R283 PolarHBondContact OG-NH2 2.71Å; N279-R283 PolarHBondContact O-N 3.03Å; R283-F285 VanDerWaalsContact C-N 3.3Å; R283-F285 PolarHBondContact O-N 3.33Å; R283-L286 PolarHBondContact O-N 3.41Å; R283-T287 WeakPolarHBondContact O-CB 3.09Å; R283-T287 PolarHBondContact O-N 2.68Å; R283-T287 PolarHBondContact O-OG1 3.1Å
284	L	40.4	Very low	50.4	Low	59 Å²	59	64.7 Å²	64.7	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-38	172.4	-171.7	73.1	0	0	0	110.1	M280 L288	M280-L284 WeakPolarHBondContact O-CA 3.37Å; M280-L284 WeakPolarHBondContact O-CB 3.29Å; M280-L284 PolarHBondContact O-N 3.35Å; L284-L288 HydrophobicContact CD1-CD1 4.16Å; L284-L288 HydrophobicContact CD1-CG 4.06Å; L284-L288 HydrophobicContact CD2-CD1 4.18Å; L284-L288 HydrophobicContact CG-CD1 3.66Å; L284-L288 HydrophobicContact CG-CG 3.98Å; L284-L288 WeakPolarHBondContact O-CA 3.43Å; L284-L288 WeakPolarHBondContact O-CB 3.17Å; L284-L288 WeakPolarHBondContact O-CG 3.26Å; L284-L288 PolarHBondContact O-N 2.84Å
285	F	48.9	Very low	48.4	Very low	75 Å²	75	67 Å²	67	33%	0.329	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-48.5	171	171	-96.3	0	0	0	111.8	F87 A281 F282 R283 N289	F87-F285 HydrophobicContact CB-CE2 4.44Å; A281-F285 WeakPolarHBondContact O-CB 3.45Å; A281-F285 PolarHBondContact O-N 3.23Å; F282-F285 HydrophobicContact CD2-CD1 4.42Å; F282-F285 WeakPolarHBondContact O-CB 3.5Å; F282-F285 PolarHBondContact O-N 3.11Å; R283-F285 VanDerWaalsContact C-N 3.3Å; R283-F285 PolarHBondContact O-N 3.33Å; F285-N289 WeakPolarHBondContact CD2-ND2 3Å; F285-N289 WeakPolarHBondContact CE1-ND2 3.49Å; F285-N289 WeakPolarHBondContact CE2-ND2 3.3Å; F285-N289 WeakPolarHBondContact CZ-ND2 3.35Å; F285-N289 WeakPolarHBondContact O-CB 3.05Å; F285-N289 PolarHBondContact O-N 2.76Å; F285-N289 PolarHBondContact O-ND2 2.85Å
286	L	47.8	Very low	46.9	Very low	87 Å²	87	70 Å²	70	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-41.7	177.5	-70.4	177	0	0	0	112.1	F282 R283 K290	F282-L286 HydrophobicContact CD1-CD1 3.86Å; F282-L286 HydrophobicContact CD1-CG 4.39Å; F282-L286 HydrophobicContact CE1-CD1 3.46Å; F282-L286 VanDerWaalsContact CE1-CD1 3.46Å; F282-L286 HydrophobicContact CE1-CG 4.13Å; F282-L286 HydrophobicContact CZ-CD1 3.96Å; F282-L286 HydrophobicContact CZ-CD2 4.37Å; F282-L286 HydrophobicContact CZ-CG 4.25Å; F282-L286 WeakPolarHBondContact O-CB 3.2Å; F282-L286 VanDerWaalsContact O-CG 3.26Å; F282-L286 WeakPolarHBondContact O-CG 3.23Å; F282-L286 PolarHBondContact O-N 3.39Å; R283-L286 PolarHBondContact O-N 3.41Å; L286-K290 VanDerWaalsContact O-CB 3.24Å; L286-K290 WeakPolarHBondContact O-CB 3.2Å; L286-K290 PolarHBondContact O-N 3.46Å
287	T	45.1	Very low	46.1	Very low	78 Å²	78	75 Å²	75	48%	0.479	38%	0.381	S	S	.	.	H	α-helix	trans	-72.9	-42.2	-179.9	-58.2	0	0	0	0	111.6	R283 N289 K290 V291	R283-T287 WeakPolarHBondContact O-CB 3.09Å; R283-T287 PolarHBondContact O-N 2.68Å; R283-T287 PolarHBondContact O-OG1 3.1Å; T287-N289 VanDerWaalsContact C-N 3.34Å; T287-K290 PolarHBondContact O-N 2.92Å; T287-V291 HydrophobicContact CG2-CG2 4.18Å; T287-V291 WeakPolarHBondContact O-CB 3.2Å; T287-V291 VanDerWaalsContact O-CG2 3.26Å; T287-V291 WeakPolarHBondContact O-CG2 3.48Å; T287-V291 PolarHBondContact O-N 3.15Å
288	L	41.5	Very low	45.3	Very low	97 Å²	97	80.2 Å²	80.2	51%	0.508	41%	0.406	S	S	.	.	H	α-helix	trans	-66.3	-37.7	174.1	-72.2	174	0	0	0	111	L284 R292	L284-L288 HydrophobicContact CD1-CD1 4.16Å; L284-L288 HydrophobicContact CD1-CG 4.06Å; L284-L288 HydrophobicContact CD2-CD1 4.18Å; L284-L288 HydrophobicContact CG-CD1 3.66Å; L284-L288 HydrophobicContact CG-CG 3.98Å; L284-L288 WeakPolarHBondContact O-CA 3.43Å; L284-L288 WeakPolarHBondContact O-CB 3.17Å; L284-L288 WeakPolarHBondContact O-CG 3.26Å; L284-L288 PolarHBondContact O-N 2.84Å; L288-R292 WeakPolarHBondContact O-CB 3.02Å; L288-R292 PolarHBondContact O-N 3.05Å
289	N	53.1	Low	44.9	Very low	40 Å²	40	82.4 Å²	82.4	21%	0.214	42%	0.42	C	S	.	.	H	α-helix	trans	-67.1	-40.4	173	-76.3	-37	0	0	0	111.3	F285 T287 Q293	F285-N289 WeakPolarHBondContact CD2-ND2 3Å; F285-N289 WeakPolarHBondContact CE1-ND2 3.49Å; F285-N289 WeakPolarHBondContact CE2-ND2 3.3Å; F285-N289 WeakPolarHBondContact CZ-ND2 3.35Å; F285-N289 WeakPolarHBondContact O-CB 3.05Å; F285-N289 PolarHBondContact O-N 2.76Å; F285-N289 PolarHBondContact O-ND2 2.85Å; T287-N289 VanDerWaalsContact C-N 3.34Å; N289-Q293 WeakPolarHBondContact O-CB 2.9Å; N289-Q293 WeakPolarHBondContact O-CG 3.28Å; N289-Q293 PolarHBondContact O-N 2.76Å
290	K	50.9	Low	44.4	Very low	89 Å²	89	87.9 Å²	87.9	39%	0.387	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-51.6	176.2	-174.9	178.6	173.3	-175.7	0	112.2	L286 T287 R292 Q293 E294	L286-K290 VanDerWaalsContact O-CB 3.24Å; L286-K290 WeakPolarHBondContact O-CB 3.2Å; L286-K290 PolarHBondContact O-N 3.46Å; T287-K290 PolarHBondContact O-N 2.92Å; K290-R292 VanDerWaalsContact C-N 3.35Å; K290-R292 PolarHBondContact O-N 3.19Å; K290-Q293 PolarHBondContact O-N 3.1Å; K290-E294 WeakPolarHBondContact CE-OE1 3.47Å; K290-E294 IonicContact NZ-OE1 3.84Å; K290-E294 WeakPolarHBondContact O-CB 2.85Å; K290-E294 WeakPolarHBondContact O-CG 3.49Å; K290-E294 PolarHBondContact O-N 2.97Å
291	V	47.4	Very low	44.1	Very low	81 Å²	81	90.2 Å²	90.2	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-65	-37.4	179.6	173.6	0	0	0	0	111.4	T287 A295	T287-V291 HydrophobicContact CG2-CG2 4.18Å; T287-V291 WeakPolarHBondContact O-CB 3.2Å; T287-V291 VanDerWaalsContact O-CG2 3.26Å; T287-V291 WeakPolarHBondContact O-CG2 3.48Å; T287-V291 PolarHBondContact O-N 3.15Å; V291-A295 VanDerWaalsContact O-CB 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 3.18Å
292	R	47.7	Very low	44	Very low	130 Å²	130	98.5 Å²	98.5	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-71.8	-32.1	175.5	-170.7	175.9	179.8	148.1	3.1	112.6	L83 L288 K290 M296	L83-R292 VanDerWaalsContact CD1-CZ 3.43Å; L83-R292 VanDerWaalsContact CD1-NH2 3.33Å; L288-R292 WeakPolarHBondContact O-CB 3.02Å; L288-R292 PolarHBondContact O-N 3.05Å; K290-R292 VanDerWaalsContact C-N 3.35Å; K290-R292 PolarHBondContact O-N 3.19Å; R292-M296 WeakPolarHBondContact O-CB 3.13Å; R292-M296 VanDerWaalsContact O-CG 3.31Å; R292-M296 WeakPolarHBondContact O-CG 3.12Å; R292-M296 PolarHBondContact O-N 3.37Å
293	Q	47.5	Very low	43.3	Very low	31 Å²	31	103 Å²	103	15%	0.145	52%	0.518	C	S	.	.	H	α-helix	trans	-70.6	-42.4	173	-75.9	163.2	9.1	0	0	111.2	Y49 N289 K290 M296 I297	Y49-Q293 PolarHBondContact O-NE2 3.48Å; Y49-Q293 PolarHBondContact O-OE1 3.03Å; Y49-Q293 VanDerWaalsContact O-OE1 3.1Å; N289-Q293 WeakPolarHBondContact O-CB 2.9Å; N289-Q293 WeakPolarHBondContact O-CG 3.28Å; N289-Q293 PolarHBondContact O-N 2.76Å; K290-Q293 PolarHBondContact O-N 3.1Å; Q293-M296 PolarHBondContact O-N 3.09Å; Q293-I297 WeakPolarHBondContact O-CD1 3.41Å; Q293-I297 VanDerWaalsContact O-CG1 3.26Å; Q293-I297 WeakPolarHBondContact O-CG1 3.48Å; Q293-I297 PolarHBondContact O-N 3.38Å
294	E	43.8	Very low	42.5	Very low	95 Å²	95	104.1 Å²	104.1	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-39.5	174.9	-71.5	167.7	172	0	0	111.3	K290 I297	K290-E294 WeakPolarHBondContact CE-OE1 3.47Å; K290-E294 IonicContact NZ-OE1 3.84Å; K290-E294 WeakPolarHBondContact O-CB 2.85Å; K290-E294 WeakPolarHBondContact O-CG 3.49Å; K290-E294 PolarHBondContact O-N 2.97Å; E294-I297 PolarHBondContact O-N 3.4Å
295	A	43.2	Very low	42.1	Very low	53 Å²	53	110.8 Å²	110.8	44%	0.438	56%	0.559	S	S	.	*	H	α-helix	trans	-70.3	-31.8	176	0	0	0	0	0	113.7	V291 M298	V291-A295 VanDerWaalsContact O-CB 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 3.18Å; A295-M298 PolarHBondContact O-N 3.05Å
296	M	40.3	Very low	41.5	Very low	98 Å²	98	114.5 Å²	114.5	48%	0.483	58%	0.582	S	S	.	*	H	α-helix	trans	-78.5	-17.6	176.2	-77.7	-177.4	77.8	0	0	113.6	R292 Q293	R292-M296 WeakPolarHBondContact O-CB 3.13Å; R292-M296 VanDerWaalsContact O-CG 3.31Å; R292-M296 WeakPolarHBondContact O-CG 3.12Å; R292-M296 PolarHBondContact O-N 3.37Å; Q293-M296 PolarHBondContact O-N 3.09Å
297	I	46.8	Very low	40.8	Very low	109 Å²	109	114.9 Å²	114.9	56%	0.559	60%	0.598	S	S	*	*	H	α-helix	trans	-75.9	-17.1	170.7	-66.7	162.8	0	0	0	110.7	Q293 E294	Q293-I297 WeakPolarHBondContact O-CD1 3.41Å; Q293-I297 VanDerWaalsContact O-CG1 3.26Å; Q293-I297 WeakPolarHBondContact O-CG1 3.48Å; Q293-I297 PolarHBondContact O-N 3.38Å; E294-I297 PolarHBondContact O-N 3.4Å
298	M	39.4	Very low	40.4	Very low	160 Å²	160	116.9 Å²	116.9	79%	0.788	61%	0.612	S	S	*	*	S	Bend	trans	-100.3	-0.9	-176.1	-68.7	-166	67.1	0	0	115.3	A295	A295-M298 PolarHBondContact O-N 3.05Å
299	T	39.2	Very low	40	Very low	113 Å²	113	118.5 Å²	118.5	69%	0.693	63%	0.626	S	S	*	*	S	Bend	trans	-118	17.3	-171.9	59.4	0	0	0	0	115.5
300	D	36.9	Very low	39.1	Very low	151 Å²	151	124.8 Å²	124.8	81%	0.807	66%	0.658	S	S	*	*	S	Bend	trans	-121.7	8.5	175.2	-139.9	4.8	0	0	0	114.1
301	D	34.9	Very low	38.2	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	68%	0.681	S	S	*	*	S	Bend	trans	-120.8	31.6	-173.1	-86.8	-30.6	0	0	0	114.8
302	Q	36.1	Very low	37.5	Very low	197 Å²	197	127.2 Å²	127.2	92%	0.921	69%	0.687	S	S	*	*			trans	-127.3	31.2	171.6	-83.6	-165.7	-19.2	0	0	115.1
303	K	33.9	Very low	36.9	Very low	205 Å²	205	129.7 Å²	129.7	89%	0.891	71%	0.706	S	S	*	*	S	Bend	trans	-104.8	113.2	158.2	-83.9	178.3	178.4	171	0	108.9
304	S	28.8	Very low	36.4	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	73%	0.73	S	S	*	*			trans	102	135.8	169.8	-166.3	0	0	0	0	116.2
305	Y	31.9	Very low	36	Very low	199 Å²	199	138.9 Å²	138.9	78%	0.78	75%	0.75	S	S	*	*			trans	108.9	84.7	167.2	-57.1	-70.5	0	0	0	118.4
306	N	35.3	Very low	35.5	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	76%	0.763	S	S	*	*			trans	54	122.2	132	-57.9	-23.7	0	0	0	122.2
307	A	33	Very low	35.3	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	77%	0.769	S	S	*	*			trans	-82.2	172.6	172.9	0	0	0	0	0	114.3
308	P	36.2	Very low	34.8	Very low	121 Å²	121	144.5 Å²	144.5	79%	0.786	78%	0.779	S	S	*	*				-128.3	118.9	123.7	32.4	-19.8	0	0	0	111.8
309	V	33.1	Very low	34.4	Very low	131 Å²	131	147.3 Å²	147.3	79%	0.794	78%	0.782	S	S	*	*				63.7	108.1	104.4	-176.2	0	0	0	0	114.9
310	L	34.3	Very low	34.2	Very low	171 Å²	171	148.1 Å²	148.1	90%	0.895	78%	0.781	S	S	*	*			trans	-161.7	95.7	133.3	-101.3	167.7	0	0	0	110.4
311	D	32.3	Very low	34.3	Very low	162 Å²	162	149.1 Å²	149.1	87%	0.866	78%	0.783	S	S	*	*			trans	39.6	137.6	145	-126.9	-11	0	0	0	124.6
312	G	33.8	Very low	34.4	Very low	59 Å²	59	150 Å²	150	61%	0.608	78%	0.783	S	S	*	*			trans	132.4	71.9	156.1	0	0	0	0	0	119.2
313	M	35	Very low	34.6	Very low	182 Å²	182	149.6 Å²	149.6	90%	0.897	78%	0.778	S	S	*	*			trans	59.6	123.9	137.8	-59.3	-178.2	88.4	0	0	119.3
314	S	36.6	Very low	34.5	Very low	92 Å²	92	149 Å²	149	64%	0.643	78%	0.776	S	S	*	*			cis	-165.9	130.7	10.5	-49.1	0	0	0	0	110.2
315	R	35.1	Very low	34.9	Very low	228 Å²	228	154.8 Å²	154.8	86%	0.86	79%	0.789	S	S	*	*				47.4	139.1	129	-69	-175.3	170.7	-146.3	1.3	120.3
316	L	32.5	Very low	35	Very low	137 Å²	137	151.5 Å²	151.5	72%	0.717	79%	0.789	S	S	*	*			cis	-172.9	173.5	17.7	-109.3	158.2	0	0	0	107.6
317	P	37	Very low	34.9	Very low	93 Å²	93	155.1 Å²	155.1	60%	0.604	79%	0.792	S	S	*	*				-138.8	-177.3	-126.6	32.6	-6.5	0	0	0	116.9
318	L	34.8	Very low	35.1	Very low	147 Å²	147	161.5 Å²	161.5	77%	0.77	80%	0.795	S	S	*	*			trans	48.6	127.4	144.3	-75.4	166.6	0	0	0	121.2
319	Y	32.3	Very low	34.8	Very low	220 Å²	220	162.8 Å²	162.8	86%	0.863	80%	0.796	S	S	*	*				-150.3	135.2	123.5	-135.7	-97.5	0	0	0	112.8
320	L	34.9	Very low	34.8	Very low	129 Å²	129	161.4 Å²	161.4	68%	0.675	80%	0.798	S	S	*	*			trans	-67.2	158.6	172.5	-85.4	139.1	0	0	0	112.2
321	M	39.2	Very low	34.8	Very low	173 Å²	173	157.8 Å²	157.8	85%	0.852	79%	0.793	S	S	*	*			trans	-155.1	116.2	132.3	-86.2	-117.6	166	0	0	111.4
322	E	36.2	Very low	34.8	Very low	162 Å²	162	154.8 Å²	154.8	76%	0.757	79%	0.785	S	S	*	*			trans	-67.6	153.8	158.8	-70.7	171.2	107.3	0	0	111.3
323	K	40.4	Very low	34.8	Very low	188 Å²	188	162.6 Å²	162.6	82%	0.817	80%	0.796	S	S	*	*				-174.1	109.2	124.4	-99.7	164.9	-171.2	179.6	0	113.3
324	K	32.7	Very low	34.8	Very low	194 Å²	194	161.6 Å²	161.6	84%	0.843	79%	0.789	S	S	*	*				44.7	119.9	128.6	-61.4	-179.5	178.6	-179.8	0	120
325	K	35.3	Very low	34.6	Very low	216 Å²	216	165.2 Å²	165.2	94%	0.939	79%	0.793	S	S	*	*			trans	-143.1	112.8	141.7	-145.4	170.5	-171.8	175	0	111.3
326	T	35.7	Very low	34.5	Very low	129 Å²	129	160.9 Å²	160.9	79%	0.791	79%	0.787	S	S	*	*			trans	-101	131.6	179.6	40.1	0	0	0	0	112
327	R	32.7	Very low	34.5	Very low	230 Å²	230	160.5 Å²	160.5	87%	0.868	79%	0.785	S	S	*	*			trans	28.5	132	140.2	-78.4	-176.4	166.9	-179.5	-4.9	121.7
328	R	37.3	Very low	34.2	Very low	227 Å²	227	162.3 Å²	162.3	86%	0.857	79%	0.789	S	S	*	*				170.1	113.8	113.9	-90.7	171.8	-169	163	3.2	107.6
329	D	30.4	Very low	34.2	Very low	149 Å²	149	163.6 Å²	163.6	80%	0.797	79%	0.791	S	S	*	*				69.1	128.6	92	-69.1	-38.1	0	0	0	114.8
330	A	31.9	Very low	34.2	Very low	101 Å²	101	157.3 Å²	157.3	84%	0.835	78%	0.784	S	S	*	*			trans	116.2	131.7	146	0	0	0	0	0	119.1
331	A	35.4	Very low	34.2	Very low	95 Å²	95	156.1 Å²	156.1	79%	0.785	79%	0.793	S	S	*	*			trans	70.9	104.8	157.8	0	0	0	0	0	117.2
332	S	31.1	Very low	34.2	Very low	100 Å²	100	153.3 Å²	153.3	70%	0.699	79%	0.79	S	S	*	*			cis	68.5	108.3	47.2	-147.4	0	0	0	0	114
333	R	34.3	Very low	34.2	Very low	223 Å²	223	153 Å²	153	84%	0.842	79%	0.791	S	S	*	*			trans	69.9	129.9	151.9	-57.3	166.9	171.8	-170.8	-3.6	117.5
334	Q	35.7	Very low	34	Very low	161 Å²	161	151.5 Å²	151.5	75%	0.752	79%	0.791	S	S	*	*				166.1	131.5	99.3	-89.3	-168.8	-41.2	0	0	112.9
335	F	32.2	Very low	34.4	Very low	167 Å²	167	147 Å²	147	73%	0.732	79%	0.79	S	S	*	*			trans	64.4	110.8	143.2	-75	-103.8	0	0	0	119.5
336	L	31.9	Very low	34.5	Very low	138 Å²	138	141.3 Å²	141.3	72%	0.723	78%	0.783	S	S	*	*				67.4	115.2	81.6	-77.2	175.4	0	0	0	115.3
337	D	32.2	Very low	34.6	Very low	129 Å²	129	140.5 Å²	140.5	69%	0.69	78%	0.783	S	S	*	*			trans	89.5	133.7	133.5	-76.8	-19	0	0	0	124
338	L	31.7	Very low	34.9	Very low	131 Å²	131	134.7 Å²	134.7	69%	0.686	78%	0.778	S	S	*	*			trans	72.3	116.1	149	-90.5	89.4	0	0	0	120.7
339	H	35.1	Very low	35	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.806	78%	0.775	S	S	*	*				174.8	135.8	93.3	-108.2	-79	0	0	0	112.6
340	A	33	Very low	35.4	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	77%	0.773	S	S	*	*			trans	-83.7	158.2	165	0	0	0	0	0	111.6
341	A	34.7	Very low	35.3	Very low	103 Å²	103	128 Å²	128	85%	0.851	77%	0.772	S	S	*	*			trans	82.2	119.1	159.8	0	0	0	0	0	119.9
342	S	39.3	Very low	35.4	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	77%	0.772	S	S	*	*			trans	-168.1	101.9	143.2	-165.9	0	0	0	0	107.7
343	M	35.8	Very low	35.4	Very low	155 Å²	155	134.6 Å²	134.6	76%	0.764	78%	0.784	S	S	*	*				74.5	108.5	80.4	-71.1	-84.1	-136.5	0	0	115
344	L	36.8	Very low	35.5	Very low	157 Å²	157	126.6 Å²	126.6	82%	0.822	77%	0.772	S	S	*	*			trans	78.4	145.9	131.3	-60.1	171.2	0	0	0	123
345	A	39.2	Very low	35.6	Very low	101 Å²	101	126 Å²	126	84%	0.835	77%	0.773	S	S	*	*			trans	90.7	128.8	167	0	0	0	0	0	116.4
346	A	38.8	Very low	36.1	Very low	95 Å²	95	127.6 Å²	127.6	79%	0.785	78%	0.779	S	S	*	*			cis	-160.1	159.8	7.4	0	0	0	0	0	111.9
347	S	36.6	Very low	36.5	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	78%	0.783	S	S	*	*			trans	-35.7	155.7	167.8	-41.7	0	0	0	0	115.1
348	S	39.7	Very low	37.2	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	78%	0.778	S	S	*	*			cis	-177	159	43.3	26.6	0	0	0	0	110.8
349	N	40.2	Very low	38.1	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	78%	0.783	S	S	*	*			trans	79.2	101.7	155	-86.7	6.3	0	0	0	121.4
350	S	37.2	Very low	38.6	Very low	108 Å²	108	126.2 Å²	126.2	76%	0.755	77%	0.766	S	S	*	*				57.1	116.3	121.9	61	0	0	0	0	120.1
351	G	31.1	Very low	39.1	Very low	78 Å²	78	124.7 Å²	124.7	80%	0.804	75%	0.753	S	S	*	*			trans	93.9	102.9	145.1	0	0	0	0	0	115
352	S	36.4	Very low	39.8	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	74%	0.742	S	S	*	*				154.6	108.9	116.6	-160.8	0	0	0	0	111.2
353	F	31.3	Very low	40.2	Very low	220 Å²	220	130.4 Å²	130.4	97%	0.965	74%	0.741	S	S	*	*			trans	-55.9	119	162.4	-144.6	-105.1	0	0	0	108.7
354	G	35.8	Very low	40.7	Very low	56 Å²	56	129 Å²	129	58%	0.577	73%	0.732	S	S	*	*			trans	159.3	-11	168.8	0	0	0	0	0	121.1
355	L	39.7	Very low	41.3	Very low	147 Å²	147	124 Å²	124	77%	0.77	71%	0.713	S	S	*	*	S	Bend	trans	-103.5	-0.6	-165	-79.3	160.9	0	0	0	117.5
356	K	42.6	Very low	42	Very low	201 Å²	201	126 Å²	126	87%	0.874	70%	0.703	S	S	*	*	S	Bend	trans	-87.9	-20.7	-179.7	-77.6	-173.8	176.8	178.5	0	114.6
357	E	40.6	Very low	42.8	Very low	171 Å²	171	127.4 Å²	127.4	80%	0.799	69%	0.694	S	S	*	*	S	Bend	trans	-79.6	-32	-177.9	-142.3	161.9	-175.5	0	0	112.1	R359	E357-R359 VanDerWaalsContact C-N 3.31Å; E357-R359 PolarHBondContact O-N 2.02Å
358	N	47	Very low	43.4	Very low	108 Å²	108	129.2 Å²	129.2	58%	0.578	69%	0.689	S	S	*	*	H	α-helix	trans	-67.9	-22.9	179.7	-78.5	-25.9	0	0	0	114.6	H362	N358-H362 WeakPolarHBondContact O-CB 3.31Å; N358-H362 PolarHBondContact O-N 2.98Å
359	R	49.6	Very low	44.1	Very low	210 Å²	210	129.2 Å²	129.2	79%	0.792	68%	0.678	S	S	*	*	H	α-helix	trans	-80.8	-24.9	-174.2	-144.4	175.1	-170.7	170.1	2.5	113.3	E357 R363	E357-R359 VanDerWaalsContact C-N 3.31Å; E357-R359 PolarHBondContact O-N 2.02Å; R359-R363 PolarHBondContact O-N 3.36Å
360	A	44.6	Very low	45.4	Very low	55 Å²	55	129.4 Å²	129.4	46%	0.455	67%	0.667	S	S	.	*	H	α-helix	trans	-77.4	-48.6	175.7	0	0	0	0	0	110.8	H362 R363 E364	A360-H362 VanDerWaalsContact C-N 3.3Å; A360-H362 PolarHBondContact O-N 2.74Å; A360-R363 WeakPolarHBondContact O-CA 3.47Å; A360-R363 WeakPolarHBondContact O-CB 3.02Å; A360-R363 PolarHBondContact O-N 3.23Å; A360-E364 PolarHBondContact O-N 2.67Å
361	A	44.3	Very low	47.1	Very low	55 Å²	55	128.1 Å²	128.1	46%	0.455	65%	0.651	S	S	.	*	H	α-helix	trans	-59	-38.6	175.9	0	0	0	0	0	112.6	R363 E364 A365	A361-R363 VanDerWaalsContact C-N 3.28Å; A361-R363 PolarHBondContact O-N 3.39Å; A361-E364 PolarHBondContact O-N 3.22Å; A361-A365 WeakPolarHBondContact O-CB 3.26Å; A361-A365 PolarHBondContact O-N 3.21Å
362	H	49.1	Very low	49.7	Very low	136 Å²	136	125.1 Å²	125.1	63%	0.63	62%	0.617	S	S	*	*	H	α-helix	trans	-70.8	-22.6	176.3	-132.7	-56.2	0	0	0	113.8	N358 A360 K366	N358-H362 WeakPolarHBondContact O-CB 3.31Å; N358-H362 PolarHBondContact O-N 2.98Å; A360-H362 VanDerWaalsContact C-N 3.3Å; A360-H362 PolarHBondContact O-N 2.74Å; H362-K366 PolarHBondContact O-N 2.78Å
363	R	48.9	Very low	52.4	Low	202 Å²	202	119.8 Å²	119.8	76%	0.762	58%	0.58	S	S	*	*	H	α-helix	trans	-80.1	-43.7	174.9	-113.4	-177.4	178.4	-174.7	-1.2	110.7	R359 A360 A361 K366 E367	R359-R363 PolarHBondContact O-N 3.36Å; A360-R363 WeakPolarHBondContact O-CA 3.47Å; A360-R363 WeakPolarHBondContact O-CB 3.02Å; A360-R363 PolarHBondContact O-N 3.23Å; A361-R363 VanDerWaalsContact C-N 3.28Å; A361-R363 PolarHBondContact O-N 3.39Å; R363-K366 PolarHBondContact O-N 3.39Å; R363-E367 PolarHBondContact O-N 3.22Å; R363-E367 VanDerWaalsContact O-N 3.14Å
364	E	44.5	Very low	55.3	Low	126 Å²	126	116.9 Å²	116.9	59%	0.589	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-45.3	175.4	-73.1	172.6	163.7	0	0	111.4	A360 A361 K366 E367 E368	A360-E364 PolarHBondContact O-N 2.67Å; A361-E364 PolarHBondContact O-N 3.22Å; E364-K366 VanDerWaalsContact C-N 3.32Å; E364-K366 PolarHBondContact O-N 2.73Å; E364-E367 PolarHBondContact O-N 3.06Å; E364-E368 PolarHBondContact O-N 3.32Å
365	A	49.6	Very low	57.9	Low	50 Å²	50	115.8 Å²	115.8	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-62.3	-34.6	176.8	0	0	0	0	0	113.6	A361 E367 E369	A361-A365 WeakPolarHBondContact O-CB 3.26Å; A361-A365 PolarHBondContact O-N 3.21Å; A365-E367 VanDerWaalsContact C-N 3.33Å; A365-E369 PolarHBondContact O-N 2.82Å
366	K	55.2	Low	60.3	Low	144 Å²	144	112.2 Å²	112.2	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-73.8	-23.1	174.6	-92.7	-173.5	173.5	-178.5	0	113.3	H362 R363 E364 R370	H362-K366 PolarHBondContact O-N 2.78Å; R363-K366 PolarHBondContact O-N 3.39Å; E364-K366 VanDerWaalsContact C-N 3.32Å; E364-K366 PolarHBondContact O-N 2.73Å; K366-R370 PolarHBondContact O-N 3.43Å
367	E	54.4	Low	62.6	Low	125 Å²	125	107.8 Å²	107.8	58%	0.584	50%	0.503	S	S	*	.	H	α-helix	trans	-85.3	-33	178.6	-156.8	163.1	-160	0	0	111.1	R363 E364 A365 R370 N371	R363-E367 PolarHBondContact O-N 3.22Å; R363-E367 VanDerWaalsContact O-N 3.14Å; E364-E367 PolarHBondContact O-N 3.06Å; A365-E367 VanDerWaalsContact C-N 3.33Å; E367-R370 PolarHBondContact O-N 3.32Å; E367-N371 PolarHBondContact O-ND2 3.04Å; E367-N371 VanDerWaalsContact O-ND2 3.16Å
368	E	49.2	Very low	65	Low	149 Å²	149	104.4 Å²	104.4	70%	0.696	49%	0.487	S	S	*	.	H	α-helix	trans	-63.7	-44.8	168.2	-77.5	-177.9	153.3	0	0	112.5	E364 R370 N371 D372	E364-E368 PolarHBondContact O-N 3.32Å; E368-R370 PolarHBondContact O-N 2.99Å; E368-N371 PolarHBondContact O-N 2.96Å; E368-N371 VanDerWaalsContact O-N 3.14Å; E368-D372 PolarHBondContact O-N 3.22Å
369	E	55.9	Low	67	Low	110 Å²	110	104.7 Å²	104.7	51%	0.514	48%	0.48	S	S	.	.	H	α-helix	trans	-68	-13.6	175.8	-164.3	176.6	-146	0	0	113.1	A365 S375	A365-E369 PolarHBondContact O-N 2.82Å; E369-S375 PolarHBondContact O-OG 3.4Å
370	R	67	Low	68.7	Low	155 Å²	155	95.1 Å²	95.1	59%	0.585	45%	0.446	S	S	*	.	H	α-helix	trans	-83.7	-23	174.9	-177.8	175.6	-75.5	-152.9	-2.4	112.3	K366 E367 E368 R379	K366-R370 PolarHBondContact O-N 3.43Å; E367-R370 PolarHBondContact O-N 3.32Å; E368-R370 PolarHBondContact O-N 2.99Å; R370-R379 PolarHBondContact O-NH1 2.74Å
371	N	72.2	Confident	70.8	Confident	80 Å²	80	95.8 Å²	95.8	43%	0.428	44%	0.441	S	S	.	.	H	α-helix	trans	-109.8	-9.9	-166.7	-69.5	-26.1	0	0	0	114	E367 E368 Q376 Y405	E367-N371 PolarHBondContact O-ND2 3.04Å; E367-N371 VanDerWaalsContact O-ND2 3.16Å; E368-N371 PolarHBondContact O-N 2.96Å; E368-N371 VanDerWaalsContact O-N 3.14Å; N371-Q376 PolarHBondContact O-NE2 2.69Å; N371-Y405 PolarHBondContact O-OH 3.49Å
372	D	85.9	Confident	72.9	Confident	16 Å²	16	97.3 Å²	97.3	9%	0.086	44%	0.439	C	S	.	.	S	Bend	trans	-63.9	155.5	177.1	75.4	-87.5	0	0	0	113	E368 R374 S375 Q376 R403 Y405	E368-D372 PolarHBondContact O-N 3.22Å; D372-R374 PolarHBondContact O-N 2.87Å; D372-R374 WeakPolarHBondContact OD2-CB 3.48Å; D372-R374 PolarHBondContact OD2-N 2.72Å; D372-R374 VanDerWaalsContact OD2-N 3.14Å; D372-S375 PolarHBondContact O-N 2.86Å; D372-S375 VanDerWaalsContact OD1-CB 3.24Å; D372-S375 WeakPolarHBondContact OD1-CB 3.44Å; D372-S375 PolarHBondContact OD1-OG 2.62Å; D372-S375 PolarHBondContact OD2-N 3.36Å; D372-S375 PolarHBondContact OD2-OG 3.43Å; D372-Q376 PolarHBondContact O-N 3.04Å; D372-R403 HydrophobicContact CB-CB 4.12Å; D372-R403 HydrophobicContact CB-CG 4.5Å; D372-Y405 PolarHBondContact O-OH 3.45Å
373	C	92.2	Very high	74.5	Confident	0 Å²	0	94.7 Å²	94.7	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-60.7	-41.7	-173.4	-174.5	0	0	0	0	113.1	S375 Q376 R377 C397 R403 L404 Y405	C373-S375 PolarHBondContact O-N 2.04Å; C373-Q376 PolarHBondContact O-N 3.36Å; C373-R377 WeakPolarHBondContact O-CB 3.07Å; C373-R377 PolarHBondContact O-N 3.04Å; C373-C397 HydrophobicContact CB-CB 3.86Å; C373-C397 WeakPolarHBondContact CB-SG 3.49Å; C373-C397 PolarHBondContact O-SG 2.93Å; C373-C397 WeakPolarHBondContact SG-CA 3.07Å; C373-C397 WeakPolarHBondContact SG-CB 3.17Å; C373-C397 CovalentContact SG-SG 2.05Å; C373-C397 PolarHBondContact SG-SG 3.12Å; C373-R403 PolarHBondContact N-O 2.82Å; C373-L404 WeakPolarHBondContact CB-O 3.29Å; C373-Y405 VanDerWaalsContact CA-CZ 3.46Å; C373-Y405 WeakPolarHBondContact CA-OH 3.49Å; C373-Y405 HydrophobicContact CB-CD1 4Å; C373-Y405 HydrophobicContact CB-CD2 3.85Å; C373-Y405 HydrophobicContact CB-CE1 3.94Å; C373-Y405 HydrophobicContact CB-CE2 3.78Å; C373-Y405 HydrophobicContact CB-CG 3.94Å
374	R	92.8	Very high	76	Confident	159 Å²	159	88.4 Å²	88.4	60%	0.6	41%	0.409	S	S	*	.	H	α-helix	trans	-61.2	-47.3	-180	173.7	179.8	176	169.8	-5.9	111	D372 R377 Q378 D402	D372-R374 PolarHBondContact O-N 2.87Å; D372-R374 WeakPolarHBondContact OD2-CB 3.48Å; D372-R374 PolarHBondContact OD2-N 2.72Å; D372-R374 VanDerWaalsContact OD2-N 3.14Å; R374-R377 PolarHBondContact O-N 3.32Å; R374-Q378 WeakPolarHBondContact O-CB 3.24Å; R374-Q378 PolarHBondContact O-N 3.26Å; R374-D402 WeakPolarHBondContact CB-O 3.04Å; R374-D402 WeakPolarHBondContact CD-OD2 3.2Å; R374-D402 IonicContact CZ-OD2 3.91Å; R374-D402 PolarHBondContact N-O 3.22Å; R374-D402 VanDerWaalsContact N-O 3.16Å; R374-D402 IonicContact NH1-OD2 3.06Å; R374-D402 PolarHBondContact NH1-OD2 3.27Å
375	S	91.3	Very high	78	Confident	33 Å²	33	92.8 Å²	92.8	23%	0.231	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-43.5	177.9	-66.8	0	0	0	0	112.5	E369 D372 C373 R379	E369-S375 PolarHBondContact O-OG 3.4Å; D372-S375 PolarHBondContact O-N 2.86Å; D372-S375 VanDerWaalsContact OD1-CB 3.24Å; D372-S375 WeakPolarHBondContact OD1-CB 3.44Å; D372-S375 PolarHBondContact OD1-OG 2.62Å; D372-S375 PolarHBondContact OD2-N 3.36Å; D372-S375 PolarHBondContact OD2-OG 3.43Å; C373-S375 PolarHBondContact O-N 2.04Å; S375-R379 PolarHBondContact O-N 3.17Å
376	Q	89.1	Confident	79.7	Confident	71 Å²	71	100.2 Å²	100.2	33%	0.332	44%	0.437	S	S	.	.	H	α-helix	trans	-69.5	-38.3	177.8	-67	-156.6	45.9	0	0	112.6	N371 D372 C373 R379 A380 P395 Y405	N371-Q376 PolarHBondContact O-NE2 2.69Å; D372-Q376 PolarHBondContact O-N 3.04Å; C373-Q376 PolarHBondContact O-N 3.36Å; Q376-R379 PolarHBondContact O-N 3.06Å; Q376-A380 WeakPolarHBondContact O-CB 3.1Å; Q376-A380 PolarHBondContact O-N 2.94Å; Q376-P395 HydrophobicContact CB-CG 4.26Å; Q376-Y405 WeakPolarHBondContact CB-OH 3.3Å; Q376-Y405 WeakPolarHBondContact CG-OH 3.31Å; Q376-Y405 PolarHBondContact NE2-OH 2.67Å
377	R	92	Very high	80.7	Confident	109 Å²	109	97.9 Å²	97.9	41%	0.411	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-41.1	175.9	-171.7	178.3	176.2	115.7	-9.8	111.9	C373 R374 A380 L381 P395	C373-R377 WeakPolarHBondContact O-CB 3.07Å; C373-R377 PolarHBondContact O-N 3.04Å; R374-R377 PolarHBondContact O-N 3.32Å; R377-A380 PolarHBondContact O-N 3.35Å; R377-L381 HydrophobicContact CG-CD1 4.36Å; R377-L381 WeakPolarHBondContact O-CG 3.45Å; R377-L381 PolarHBondContact O-N 3.22Å; R377-P395 HydrophobicContact CB-CG 3.97Å; R377-P395 WeakPolarHBondContact CD-O 3.26Å; R377-P395 PolarHBondContact NH1-O 3.1Å
378	Q	91.1	Very high	81.6	Confident	99 Å²	99	96 Å²	96	46%	0.463	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-44.7	177	-176.5	63.4	24.3	0	0	111.7	R374 L381 E382	R374-Q378 WeakPolarHBondContact O-CB 3.24Å; R374-Q378 PolarHBondContact O-N 3.26Å; Q378-L381 WeakPolarHBondContact O-CB 3.37Å; Q378-L381 PolarHBondContact O-N 2.99Å; Q378-E382 PolarHBondContact NE2-OE1 2.03Å; Q378-E382 WeakPolarHBondContact O-CG 3.19Å; Q378-E382 PolarHBondContact O-N 3.1Å
379	R	88.3	Confident	82.3	Confident	114 Å²	114	94.2 Å²	94.2	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-44.1	174.8	-70.5	-179.4	-168.7	141.5	14.8	112.2	R370 S375 Q376 L381 E382 D383	R370-R379 PolarHBondContact O-NH1 2.74Å; S375-R379 PolarHBondContact O-N 3.17Å; Q376-R379 PolarHBondContact O-N 3.06Å; R379-L381 VanDerWaalsContact C-N 3.29Å; R379-L381 PolarHBondContact O-N 2.82Å; R379-E382 PolarHBondContact O-N 2.99Å; R379-D383 PolarHBondContact O-N 3.2Å
380	A	85.9	Confident	82.6	Confident	9 Å²	9	91.4 Å²	91.4	7%	0.074	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-36.2	176.6	0	0	0	0	0	112.7	Q376 R377 H384 I392 Y393 M394	Q376-A380 WeakPolarHBondContact O-CB 3.1Å; Q376-A380 PolarHBondContact O-N 2.94Å; R377-A380 PolarHBondContact O-N 3.35Å; A380-H384 VanDerWaalsContact O-CB 3.29Å; A380-H384 WeakPolarHBondContact O-CB 3.45Å; A380-H384 PolarHBondContact O-N 3.24Å; A380-I392 HydrophobicContact CB-CG2 4.14Å; A380-Y393 WeakPolarHBondContact CB-O 3.46Å; A380-M394 HydrophobicContact CB-CG 4.47Å
381	L	88.5	Confident	82.7	Confident	69 Å²	69	85 Å²	85	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-67.6	-39.6	174.5	-76.2	166.1	0	0	0	112.4	R377 Q378 R379 H384 R385 M394	R377-L381 HydrophobicContact CG-CD1 4.36Å; R377-L381 WeakPolarHBondContact O-CG 3.45Å; R377-L381 PolarHBondContact O-N 3.22Å; Q378-L381 WeakPolarHBondContact O-CB 3.37Å; Q378-L381 PolarHBondContact O-N 2.99Å; R379-L381 VanDerWaalsContact C-N 3.29Å; R379-L381 PolarHBondContact O-N 2.82Å; L381-H384 PolarHBondContact O-N 3.27Å; L381-R385 PolarHBondContact O-N 2.95Å; L381-M394 HydrophobicContact CD2-SD 4.29Å
382	E	88.5	Confident	82.6	Confident	87 Å²	87	83.7 Å²	83.7	41%	0.407	40%	0.402	S	S	.	.	H	α-helix	trans	-66.9	-41.9	176	-73.5	170.5	-165.8	0	0	111.8	Q378 R379 R385 R386	Q378-E382 PolarHBondContact NE2-OE1 2.03Å; Q378-E382 WeakPolarHBondContact O-CG 3.19Å; Q378-E382 PolarHBondContact O-N 3.1Å; R379-E382 PolarHBondContact O-N 2.99Å; E382-R385 WeakPolarHBondContact O-CB 3.46Å; E382-R385 PolarHBondContact O-N 2.88Å; E382-R386 WeakPolarHBondContact O-CG 3.08Å; E382-R386 PolarHBondContact O-N 2.94Å; E382-R386 VanDerWaalsContact O-N 3.15Å
383	D	81.4	Confident	82.4	Confident	82 Å²	82	85.9 Å²	85.9	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-67.7	-37.3	175.7	-69.6	-24.7	0	0	0	111.5	R379 R386 N387 I392	R379-D383 PolarHBondContact O-N 3.2Å; D383-R386 PolarHBondContact O-N 2.82Å; D383-N387 PolarHBondContact O-N 2.82Å; D383-I392 VanDerWaalsContact C-CD1 3.4Å; D383-I392 HydrophobicContact CB-CD1 3.55Å; D383-I392 WeakPolarHBondContact O-CD1 3.16Å
384	H	81.9	Confident	82.1	Confident	70 Å²	70	88.8 Å²	88.8	32%	0.324	42%	0.424	S	S	.	.	H	α-helix	trans	-66.2	-36.1	174.7	-172.3	61.2	0	0	0	112.6	A380 L381 R386 N387 P388	A380-H384 VanDerWaalsContact O-CB 3.29Å; A380-H384 WeakPolarHBondContact O-CB 3.45Å; A380-H384 PolarHBondContact O-N 3.24Å; L381-H384 PolarHBondContact O-N 3.27Å; H384-R386 VanDerWaalsContact C-N 3.31Å; H384-R386 PolarHBondContact O-N 2.85Å; H384-N387 CarbonylContact O-C 3.58Å; H384-N387 PolarHBondContact O-N 2.88Å; H384-P388 PolarHBondContact CE1-O 3.2Å; H384-P388 VanDerWaalsContact CE1-O 3.28Å; H384-P388 WeakPolarHBondContact O-CA 3.38Å
385	R	85.9	Confident	82	Confident	218 Å²	218	81.3 Å²	81.3	82%	0.823	40%	0.396	S	S	*	.	H	α-helix	trans	-62.7	-37.1	171.6	-84.1	-177.8	165.6	177.1	-3.3	112.5	L381 E382	L381-R385 PolarHBondContact O-N 2.95Å; E382-R385 WeakPolarHBondContact O-CB 3.46Å; E382-R385 PolarHBondContact O-N 2.88Å
386	R	84.1	Confident	82.1	Confident	205 Å²	205	80.8 Å²	80.8	77%	0.774	39%	0.394	S	S	*	.	H	α-helix	trans	-74.7	-33.7	178.6	-69.8	176.9	-174.7	-142.2	2.6	112.3	E382 D383 H384	E382-R386 WeakPolarHBondContact O-CG 3.08Å; E382-R386 PolarHBondContact O-N 2.94Å; E382-R386 VanDerWaalsContact O-N 3.15Å; D383-R386 PolarHBondContact O-N 2.82Å; H384-R386 VanDerWaalsContact C-N 3.31Å; H384-R386 PolarHBondContact O-N 2.85Å
387	N	76.6	Confident	82.3	Confident	95 Å²	95	78.7 Å²	78.7	51%	0.508	39%	0.386	S	S	.	.			trans	-143.9	82.6	-176.7	-148.5	14.7	0	0	0	112.1	D383 H384 S389 S390	D383-N387 PolarHBondContact O-N 2.82Å; H384-N387 CarbonylContact O-C 3.58Å; H384-N387 PolarHBondContact O-N 2.88Å; N387-S389 PolarHBondContact O-N 3.4Å; N387-S389 VanDerWaalsContact O-N 3.16Å; N387-S390 WeakPolarHBondContact O-CB 3.08Å; N387-S390 PolarHBondContact O-N 2.84Å; N387-S390 PolarHBondContact O-OG 2.68Å
388	P	73	Confident	82.2	Confident	85 Å²	85	74.7 Å²	74.7	55%	0.552	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-59.9	-30.5	-172.9	-25.3	34.2	0	0	0	114.3	H384	H384-P388 PolarHBondContact CE1-O 3.2Å; H384-P388 VanDerWaalsContact CE1-O 3.28Å; H384-P388 WeakPolarHBondContact O-CA 3.38Å
389	S	65.2	Low	82.1	Confident	113 Å²	113	75.9 Å²	75.9	79%	0.79	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-87.2	-0.1	-175.1	-49.1	0	0	0	0	114.6	N387 G391	N387-S389 PolarHBondContact O-N 3.4Å; N387-S389 VanDerWaalsContact O-N 3.16Å; S389-G391 VanDerWaalsContact C-N 3.32Å; S389-G391 PolarHBondContact O-N 2.96Å
390	S	62.2	Low	82	Confident	51 Å²	51	76.6 Å²	76.6	36%	0.357	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-79.6	-7.6	-169.6	57.1	0	0	0	0	115.2	N387 I392	N387-S390 WeakPolarHBondContact O-CB 3.08Å; N387-S390 PolarHBondContact O-N 2.84Å; N387-S390 PolarHBondContact O-OG 2.68Å; S390-I392 VanDerWaalsContact C-N 3.31Å; S390-I392 PolarHBondContact O-N 3.21Å; S390-I392 WeakPolarHBondContact OG-CD1 3.18Å; S390-I392 WeakPolarHBondContact OG-CG1 2.88Å
391	G	67.7	Low	82.1	Confident	21 Å²	21	79.1 Å²	79.1	22%	0.216	42%	0.421	C	S	.	.			trans	61.3	39	-178.6	0	0	0	0	0	113	S389 H411 L413	S389-G391 VanDerWaalsContact C-N 3.32Å; S389-G391 PolarHBondContact O-N 2.96Å; G391-H411 PolarHBondContact O-CE1 2.92Å; G391-H411 PolarHBondContact O-NE2 2.85Å; G391-L413 VanDerWaalsContact CA-CD2 3.44Å
392	I	70.9	Confident	82	Confident	51 Å²	51	79.7 Å²	79.7	26%	0.262	42%	0.424	S	S	.	.			trans	-66.8	133.9	178.7	-70.1	154.5	0	0	0	110.6	A380 D383 S390 M394	A380-I392 HydrophobicContact CB-CG2 4.14Å; D383-I392 VanDerWaalsContact C-CD1 3.4Å; D383-I392 HydrophobicContact CB-CD1 3.55Å; D383-I392 WeakPolarHBondContact O-CD1 3.16Å; S390-I392 VanDerWaalsContact C-N 3.31Å; S390-I392 PolarHBondContact O-N 3.21Å; S390-I392 WeakPolarHBondContact OG-CD1 3.18Å; S390-I392 WeakPolarHBondContact OG-CG1 2.88Å; I392-M394 PolarHBondContact O-N 3.18Å
393	Y	82	Confident	82	Confident	63 Å²	63	82.4 Å²	82.4	25%	0.247	43%	0.431	C	S	.	.			trans	-65.7	126.4	171.9	168.2	-110.2	0	0	0	111.7	A380 P395 Q409 W418	A380-Y393 WeakPolarHBondContact CB-O 3.46Å; Y393-P395 HydrophobicContact CE1-CB 3.86Å; Y393-P395 HydrophobicContact CE1-CG 4.35Å; Y393-Q409 HydrophobicContact CE2-CB 4.2Å; Y393-Q409 WeakPolarHBondContact OH-CB 3.26Å; Y393-Q409 VanDerWaalsContact OH-CD 3.22Å; Y393-Q409 WeakPolarHBondContact OH-CG 3.17Å; Y393-Q409 PolarHBondContact OH-OE1 2.96Å; Y393-W418 AromaticContact CD2-CH2 3.7Å; Y393-W418 HydrophobicContact CD2-CH2 3.7Å; Y393-W418 AromaticContact CD2-CZ2 3.9Å; Y393-W418 HydrophobicContact CD2-CZ2 3.9Å; Y393-W418 HydrophobicContact CE1-CZ2 4.49Å; Y393-W418 AromaticContact CE2-CH2 3.58Å; Y393-W418 HydrophobicContact CE2-CH2 3.58Å; Y393-W418 AromaticContact CE2-CZ2 3.36Å; Y393-W418 HydrophobicContact CE2-CZ2 3.36Å; Y393-W418 AromaticContact CZ-CZ2 3.68Å
394	M	85.7	Confident	82.4	Confident	60 Å²	60	81 Å²	81	30%	0.296	42%	0.423	S	S	.	.			trans	-109.1	109.5	174.9	-70.5	-177.8	-76.1	0	0	110	A380 L381 I392 K412	A380-M394 HydrophobicContact CB-CG 4.47Å; L381-M394 HydrophobicContact CD2-SD 4.29Å; I392-M394 PolarHBondContact O-N 3.18Å; M394-K412 HydrophobicContact CE-CD 4.49Å
395	P	90.3	Very high	82.6	Confident	3 Å²	3	78 Å²	78	2%	0.019	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-67.1	138.8	-179.6	24.9	-31.5	0	0	0	111.9	Q376 R377 Y393 Y405	Q376-P395 HydrophobicContact CB-CG 4.26Å; R377-P395 HydrophobicContact CB-CG 3.97Å; R377-P395 WeakPolarHBondContact CD-O 3.26Å; R377-P395 PolarHBondContact NH1-O 3.1Å; Y393-P395 HydrophobicContact CE1-CB 3.86Å; Y393-P395 HydrophobicContact CE1-CG 4.35Å; P395-Y405 HydrophobicContact CB-CD1 4.08Å; P395-Y405 HydrophobicContact CB-CE1 3.73Å; P395-Y405 HydrophobicContact CG-CE1 4.44Å
396	A	93.3	Very high	82.9	Confident	22 Å²	22	71.8 Å²	71.8	18%	0.182	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-88.1	126.1	171.8	0	0	0	0	0	110.1	Q406 Q409	A396-Q406 HydrophobicContact CB-CB 3.95Å; A396-Q406 VanDerWaalsContact CB-OE1 3.32Å; A396-Q406 WeakPolarHBondContact O-CB 3.4Å; A396-Q406 PolarHBondContact O-N 3.49Å; A396-Q409 PolarHBondContact O-NE2 2.88Å
397	C	94.5	Very high	83.1	Confident	26 Å²	26	65 Å²	65	18%	0.176	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-97.6	153	179.5	-52.3	0	0	0	0	111	C373 L404	C373-C397 HydrophobicContact CB-CB 3.86Å; C373-C397 WeakPolarHBondContact CB-SG 3.49Å; C373-C397 PolarHBondContact O-SG 2.93Å; C373-C397 WeakPolarHBondContact SG-CA 3.07Å; C373-C397 WeakPolarHBondContact SG-CB 3.17Å; C373-C397 CovalentContact SG-SG 2.05Å; C373-C397 PolarHBondContact SG-SG 3.12Å; C397-L404 CarbonylContact C-O 3.57Å; C397-L404 WeakPolarHBondContact CA-O 3.42Å
398	S	90.1	Very high	83.7	Confident	26 Å²	26	62 Å²	62	18%	0.182	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.1	139.9	-179.2	-177.1	0	0	0	0	111	T400 N401 L404	S398-T400 PolarHBondContact O-N 2.02Å; S398-T400 PolarHBondContact OG-N 3.41Å; S398-T400 PolarHBondContact OG-OG1 3.05Å; S398-N401 WeakPolarHBondContact CB-O 3.41Å; S398-N401 CarbonylContact O-C 3.45Å; S398-N401 PolarHBondContact O-N 3.22Å; S398-L404 PolarHBondContact N-O 2.83Å
399	P	87.8	Confident	84.5	Confident	124 Å²	124	58 Å²	58	81%	0.805	33%	0.325	S	S	*	.	S	Bend	trans	-64.1	-24.4	175.1	-18.6	30.2	0	0	0	113.7
400	T	85.8	Confident	85.6	Confident	128 Å²	128	55 Å²	55	79%	0.785	30%	0.303	S	S	*	.	S	Bend	trans	-90.1	-25.1	-175.9	54.5	0	0	0	0	113.4	S398	S398-T400 PolarHBondContact O-N 2.02Å; S398-T400 PolarHBondContact OG-N 3.41Å; S398-T400 PolarHBondContact OG-OG1 3.05Å
401	N	87.9	Confident	86.7	Confident	62 Å²	62	53.9 Å²	53.9	33%	0.332	29%	0.292	S	S	.	.			trans	-155.3	109.4	179.2	-176.1	-11.2	0	0	0	108.4	S398 R403 L404	S398-N401 WeakPolarHBondContact CB-O 3.41Å; S398-N401 CarbonylContact O-C 3.45Å; S398-N401 PolarHBondContact O-N 3.22Å; N401-R403 PolarHBondContact O-N 2.95Å; N401-R403 VanDerWaalsContact O-N 3.15Å; N401-R403 VanDerWaalsContact OD1-CB 3.3Å; N401-R403 WeakPolarHBondContact OD1-CB 3.3Å; N401-R403 PolarHBondContact OD1-N 3.36Å; N401-L404 HydrophobicContact CB-CB 4.43Å; N401-L404 HydrophobicContact CB-CD1 3.95Å; N401-L404 HydrophobicContact CB-CG 4.04Å; N401-L404 PolarHBondContact O-N 3.39Å
402	D	88.1	Confident	87.2	Confident	81 Å²	81	61.5 Å²	61.5	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.4	-178.8	48.8	-38.8	0	0	0	113.4	R374	R374-D402 WeakPolarHBondContact CB-O 3.04Å; R374-D402 WeakPolarHBondContact CD-OD2 3.2Å; R374-D402 IonicContact CZ-OD2 3.91Å; R374-D402 PolarHBondContact N-O 3.22Å; R374-D402 VanDerWaalsContact N-O 3.16Å; R374-D402 IonicContact NH1-OD2 3.06Å; R374-D402 PolarHBondContact NH1-OD2 3.27Å
403	R	87.4	Confident	87.4	Confident	145 Å²	145	65.3 Å²	65.3	55%	0.547	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-24.8	170.4	-61.6	-176.8	171.3	-139.6	-6	113.2	D372 C373 N401	D372-R403 HydrophobicContact CB-CB 4.12Å; D372-R403 HydrophobicContact CB-CG 4.5Å; C373-R403 PolarHBondContact N-O 2.82Å; N401-R403 PolarHBondContact O-N 2.95Å; N401-R403 VanDerWaalsContact O-N 3.15Å; N401-R403 VanDerWaalsContact OD1-CB 3.3Å; N401-R403 WeakPolarHBondContact OD1-CB 3.3Å; N401-R403 PolarHBondContact OD1-N 3.36Å
404	L	89	Confident	87	Confident	51 Å²	51	65.6 Å²	65.6	27%	0.267	35%	0.348	S	S	.	.	S	Bend	trans	-90.7	147.9	-177.6	-62.4	177.9	0	0	0	111.7	C373 C397 S398 N401 P422 E423	C373-L404 WeakPolarHBondContact CB-O 3.29Å; C397-L404 CarbonylContact C-O 3.57Å; C397-L404 WeakPolarHBondContact CA-O 3.42Å; S398-L404 PolarHBondContact N-O 2.83Å; N401-L404 HydrophobicContact CB-CB 4.43Å; N401-L404 HydrophobicContact CB-CD1 3.95Å; N401-L404 HydrophobicContact CB-CG 4.04Å; N401-L404 PolarHBondContact O-N 3.39Å; L404-P422 CarbonylContact C-O 3.49Å; L404-P422 VanDerWaalsContact CA-O 3.26Å; L404-P422 WeakPolarHBondContact CA-O 3Å; L404-P422 WeakPolarHBondContact CB-O 3.2Å; L404-P422 VanDerWaalsContact CD2-O 3.3Å; L404-P422 WeakPolarHBondContact CD2-O 3.39Å; L404-E423 HydrophobicContact CD2-CG 4.02Å
405	Y	87.9	Confident	86.6	Confident	7 Å²	7	63.5 Å²	63.5	3%	0.027	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-77.4	141.9	172.2	-69	-96.7	0	0	0	110.4	N371 D372 C373 Q376 P395 P422 G425	N371-Y405 PolarHBondContact O-OH 3.49Å; D372-Y405 PolarHBondContact O-OH 3.45Å; C373-Y405 VanDerWaalsContact CA-CZ 3.46Å; C373-Y405 WeakPolarHBondContact CA-OH 3.49Å; C373-Y405 HydrophobicContact CB-CD1 4Å; C373-Y405 HydrophobicContact CB-CD2 3.85Å; C373-Y405 HydrophobicContact CB-CE1 3.94Å; C373-Y405 HydrophobicContact CB-CE2 3.78Å; C373-Y405 HydrophobicContact CB-CG 3.94Å; Q376-Y405 WeakPolarHBondContact CB-OH 3.3Å; Q376-Y405 WeakPolarHBondContact CG-OH 3.31Å; Q376-Y405 PolarHBondContact NE2-OH 2.67Å; P395-Y405 HydrophobicContact CB-CD1 4.08Å; P395-Y405 HydrophobicContact CB-CE1 3.73Å; P395-Y405 HydrophobicContact CG-CE1 4.44Å; Y405-P422 PolarHBondContact N-O 3.35Å; Y405-G425 VanDerWaalsContact CD2-N 3.29Å; Y405-G425 VanDerWaalsContact CE2-CA 3.5Å
406	Q	91.8	Very high	86	Confident	89 Å²	89	67.4 Å²	67.4	42%	0.416	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-63.3	139.9	165.9	-170	169.4	19.4	0	0	109.2	A396 V408 Q409 S420	A396-Q406 HydrophobicContact CB-CB 3.95Å; A396-Q406 VanDerWaalsContact CB-OE1 3.32Å; A396-Q406 WeakPolarHBondContact O-CB 3.4Å; A396-Q406 PolarHBondContact O-N 3.49Å; Q406-V408 PolarHBondContact O-N 2.78Å; Q406-V408 VanDerWaalsContact O-N 3.11Å; Q406-Q409 PolarHBondContact O-NE2 2.86Å; Q406-S420 PolarHBondContact O-OG 2.61Å
407	Q	86.9	Confident	85.6	Confident	63 Å²	63	67 Å²	67	29%	0.294	36%	0.355	S	S	.	.	S	Bend	trans	-56.3	-29.8	-177.2	-164.5	-173.8	32.8	0	0	113.5	C419 S420 C440 W444	Q407-C419 CarbonylContact O-C 3.51Å; Q407-C419 WeakPolarHBondContact O-CA 3.41Å; Q407-S420 PolarHBondContact O-N 2.79Å; Q407-C440 HydrophobicContact CG-CB 3.59Å; Q407-C440 PolarHBondContact NE2-O 3.31Å; Q407-W444 HydrophobicContact CG-CH2 3.61Å; Q407-W444 HydrophobicContact CG-CZ2 3.65Å
408	V	90.2	Very high	85.2	Confident	32 Å²	32	67.9 Å²	67.9	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.2	174.6	176.5	0	0	0	0	108.9	Q406 P438 C440	Q406-V408 PolarHBondContact O-N 2.78Å; Q406-V408 VanDerWaalsContact O-N 3.11Å; V408-P438 HydrophobicContact CG1-CG 4.2Å; V408-P438 HydrophobicContact CG2-CG 4.44Å; V408-C440 HydrophobicContact CG2-CB 4.5Å; V408-C440 WeakPolarHBondContact CG2-SG 3.37Å
409	Q	89.9	Confident	84.9	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.6	173.9	-63.6	-62.3	-30	0	0	109.9	Y393 A396 Q406 C417 W418 S420	Y393-Q409 HydrophobicContact CE2-CB 4.2Å; Y393-Q409 WeakPolarHBondContact OH-CB 3.26Å; Y393-Q409 VanDerWaalsContact OH-CD 3.22Å; Y393-Q409 WeakPolarHBondContact OH-CG 3.17Å; Y393-Q409 PolarHBondContact OH-OE1 2.96Å; A396-Q409 PolarHBondContact O-NE2 2.88Å; Q406-Q409 PolarHBondContact O-NE2 2.86Å; Q409-C417 CarbonylContact O-C 3.56Å; Q409-C417 WeakPolarHBondContact O-CA 3.45Å; Q409-W418 HydrophobicContact CB-CD2 4.24Å; Q409-W418 HydrophobicContact CB-CG 4.46Å; Q409-W418 HydrophobicContact CB-CZ2 3.98Å; Q409-W418 PolarHBondContact N-O 2.05Å; Q409-W418 PolarHBondContact O-N 2.85Å; Q409-S420 WeakPolarHBondContact CG-OG 3.21Å
410	C	87.1	Confident	84.5	Confident	49 Å²	49	60.7 Å²	60.7	33%	0.331	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.8	-177.7	-68.5	0	0	0	0	111.7	F416 C417	C410-F416 CarbonylContact C-O 3.6Å; C410-F416 WeakPolarHBondContact CA-O 3.45Å; C410-C417 HydrophobicContact CB-CB 4.14Å; C410-C417 WeakPolarHBondContact CB-SG 3.01Å; C410-C417 WeakPolarHBondContact SG-CB 3.36Å; C410-C417 CovalentContact SG-SG 2.05Å; C410-C417 PolarHBondContact SG-SG 2.64Å
411	H	85.4	Confident	84	Confident	28 Å²	28	57.5 Å²	57.5	13%	0.13	29%	0.285	C	S	.	.			trans	-93.2	104.2	172.9	-166.2	-104.5	0	0	0	110.7	G391 L413 T414 G415 F416 W418	G391-H411 PolarHBondContact O-CE1 2.92Å; G391-H411 PolarHBondContact O-NE2 2.85Å; H411-L413 VanDerWaalsContact C-N 3.32Å; H411-L413 PolarHBondContact O-N 2.85Å; H411-T414 WeakPolarHBondContact CB-OG1 3.18Å; H411-T414 WeakPolarHBondContact ND1-CB 3.4Å; H411-T414 WeakPolarHBondContact ND1-CG2 3.42Å; H411-T414 PolarHBondContact ND1-N 2.93Å; H411-T414 PolarHBondContact ND1-OG1 2.73Å; H411-T414 PolarHBondContact O-N 2.79Å; H411-G415 PolarHBondContact O-N 2.84Å; H411-F416 PolarHBondContact N-O 3.3Å; H411-W418 HydrophobicContact CB-CH2 4.03Å; H411-W418 HydrophobicContact CB-CZ3 3.89Å
412	K	79.6	Confident	83.9	Confident	182 Å²	182	56.6 Å²	56.6	79%	0.791	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-37.2	-171.2	-65.4	-174.3	179.3	-177.3	0	114	M394	M394-K412 HydrophobicContact CE-CD 4.49Å
413	L	73.8	Confident	83.3	Confident	131 Å²	131	59.9 Å²	59.9	69%	0.686	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-34.5	-175.3	-165.2	74.7	0	0	0	112.7	G391 H411	G391-L413 VanDerWaalsContact CA-CD2 3.44Å; H411-L413 VanDerWaalsContact C-N 3.32Å; H411-L413 PolarHBondContact O-N 2.85Å
414	T	75.3	Confident	82.8	Confident	68 Å²	68	55.8 Å²	55.8	42%	0.417	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.2	-177.5	61.3	0	0	0	0	113	H411 F416	H411-T414 WeakPolarHBondContact CB-OG1 3.18Å; H411-T414 WeakPolarHBondContact ND1-CB 3.4Å; H411-T414 WeakPolarHBondContact ND1-CG2 3.42Å; H411-T414 PolarHBondContact ND1-N 2.93Å; H411-T414 PolarHBondContact ND1-OG1 2.73Å; H411-T414 PolarHBondContact O-N 2.79Å; T414-F416 PolarHBondContact O-N 3.28Å; T414-F416 WeakPolarHBondContact OG1-CD2 3.17Å
415	G	76.1	Confident	82.2	Confident	17 Å²	17	54 Å²	54	18%	0.175	28%	0.281	C	S	.	.			trans	75.3	4	-178	0	0	0	0	0	114.4	H411 N435	H411-G415 PolarHBondContact O-N 2.84Å; G415-N435 PolarHBondContact O-N 2.89Å
416	F	78.9	Confident	81.3	Confident	84 Å²	84	59.2 Å²	59.2	37%	0.368	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134	178.3	-71.8	-78.2	0	0	0	111.5	C410 H411 T414 W418 T433 K434	C410-F416 CarbonylContact C-O 3.6Å; C410-F416 WeakPolarHBondContact CA-O 3.45Å; H411-F416 PolarHBondContact N-O 3.3Å; T414-F416 PolarHBondContact O-N 3.28Å; T414-F416 WeakPolarHBondContact OG1-CD2 3.17Å; F416-W418 HydrophobicContact CB-CZ3 4.4Å; F416-T433 CarbonylContact C-O 3.5Å; F416-T433 WeakPolarHBondContact CA-O 3.23Å; F416-K434 HydrophobicContact CD1-CB 4.21Å; F416-K434 HydrophobicContact CD1-CG 4.5Å; F416-K434 HydrophobicContact CE1-CB 3.99Å; F416-K434 HydrophobicContact CE1-CD 4.36Å; F416-K434 HydrophobicContact CE1-CG 4.17Å; F416-K434 HydrophobicContact CZ-CD 4.26Å; F416-K434 HydrophobicContact CZ-CG 4.39Å
417	C	84.2	Confident	80.3	Confident	13 Å²	13	59 Å²	59	9%	0.088	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.9	167.8	-63.7	0	0	0	0	110.1	Q409 C410 S432 T433 A436 P438	Q409-C417 CarbonylContact O-C 3.56Å; Q409-C417 WeakPolarHBondContact O-CA 3.45Å; C410-C417 HydrophobicContact CB-CB 4.14Å; C410-C417 WeakPolarHBondContact CB-SG 3.01Å; C410-C417 WeakPolarHBondContact SG-CB 3.36Å; C410-C417 CovalentContact SG-SG 2.05Å; C410-C417 PolarHBondContact SG-SG 2.64Å; C417-S432 CarbonylContact O-C 3.24Å; C417-S432 WeakPolarHBondContact O-CA 3.01Å; C417-S432 PolarHBondContact O-OG 3.42Å; C417-T433 PolarHBondContact N-O 3.2Å; C417-T433 PolarHBondContact O-N 3.2Å; C417-A436 WeakPolarHBondContact CB-O 3.47Å; C417-P438 HydrophobicContact CB-CG 4.45Å
418	W	86	Confident	79	Confident	45 Å²	45	57.7 Å²	57.7	17%	0.17	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161.1	177	57.5	90.8	0	0	0	110.7	Y393 Q409 H411 F416 P427	Y393-W418 AromaticContact CD2-CH2 3.7Å; Y393-W418 HydrophobicContact CD2-CH2 3.7Å; Y393-W418 AromaticContact CD2-CZ2 3.9Å; Y393-W418 HydrophobicContact CD2-CZ2 3.9Å; Y393-W418 HydrophobicContact CE1-CZ2 4.49Å; Y393-W418 AromaticContact CE2-CH2 3.58Å; Y393-W418 HydrophobicContact CE2-CH2 3.58Å; Y393-W418 AromaticContact CE2-CZ2 3.36Å; Y393-W418 HydrophobicContact CE2-CZ2 3.36Å; Y393-W418 AromaticContact CZ-CZ2 3.68Å; Q409-W418 HydrophobicContact CB-CD2 4.24Å; Q409-W418 HydrophobicContact CB-CG 4.46Å; Q409-W418 HydrophobicContact CB-CZ2 3.98Å; Q409-W418 PolarHBondContact N-O 2.05Å; Q409-W418 PolarHBondContact O-N 2.85Å; H411-W418 HydrophobicContact CB-CH2 4.03Å; H411-W418 HydrophobicContact CB-CZ3 3.89Å; F416-W418 HydrophobicContact CB-CZ3 4.4Å; W418-P427 HydrophobicContact CG-CB 4.19Å
419	C	82.9	Confident	77.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.9	168.8	-55.9	0	0	0	0	109.5	Q407 I428 T431 C440	Q407-C419 CarbonylContact O-C 3.51Å; Q407-C419 WeakPolarHBondContact O-CA 3.41Å; C419-I428 HydrophobicContact CB-CB 4.17Å; C419-I428 HydrophobicContact CB-CD1 3.84Å; C419-I428 HydrophobicContact CB-CG1 4.29Å; C419-I428 WeakPolarHBondContact O-CB 3.46Å; C419-I428 PolarHBondContact O-N 3.12Å; C419-T431 HydrophobicContact CB-CG2 3.96Å; C419-T431 PolarHBondContact N-OG1 3.33Å; C419-C440 HydrophobicContact CB-CB 4Å; C419-C440 WeakPolarHBondContact CB-SG 3.14Å; C419-C440 WeakPolarHBondContact SG-CA 3.15Å; C419-C440 WeakPolarHBondContact SG-CB 3.43Å; C419-C440 CovalentContact SG-SG 2.04Å; C419-C440 PolarHBondContact SG-SG 3.15Å
420	S	79.8	Confident	75.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-126	148.3	175.8	63.3	0	0	0	0	112	Q406 Q407 Q409 K426	Q406-S420 PolarHBondContact O-OG 2.61Å; Q407-S420 PolarHBondContact O-N 2.79Å; Q409-S420 WeakPolarHBondContact CG-OG 3.21Å; S420-K426 VanDerWaalsContact CA-O 3.29Å; S420-K426 WeakPolarHBondContact CA-O 3.34Å
421	D	76.4	Confident	74.1	Confident	60 Å²	60	66.4 Å²	66.4	32%	0.321	35%	0.352	S	S	.	.			trans	-61.5	126.7	171.1	180	-88.9	0	0	0	110.9	E423 T424 G425 K426	D421-E423 VanDerWaalsContact C-N 3.31Å; D421-E423 PolarHBondContact O-N 3.4Å; D421-E423 PolarHBondContact OD1-N 2.96Å; D421-E423 VanDerWaalsContact OD1-N 3.12Å; D421-T424 VanDerWaalsContact CB-OG1 3.31Å; D421-T424 WeakPolarHBondContact CB-OG1 3.02Å; D421-T424 WeakPolarHBondContact OD1-CB 3.39Å; D421-T424 WeakPolarHBondContact OD1-CG2 3.31Å; D421-T424 PolarHBondContact OD1-N 3.36Å; D421-T424 PolarHBondContact OD1-OG1 3.05Å; D421-G425 VanDerWaalsContact O-CA 3.31Å; D421-G425 WeakPolarHBondContact O-CA 3.22Å; D421-G425 PolarHBondContact O-N 2.97Å; D421-K426 PolarHBondContact N-O 3.23Å
422	P	84.8	Confident	73.6	Confident	43 Å²	43	68.6 Å²	68.6	28%	0.279	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.9	-174.8	-26	35	0	0	0	115	L404 Y405	L404-P422 CarbonylContact C-O 3.49Å; L404-P422 VanDerWaalsContact CA-O 3.26Å; L404-P422 WeakPolarHBondContact CA-O 3Å; L404-P422 WeakPolarHBondContact CB-O 3.2Å; L404-P422 VanDerWaalsContact CD2-O 3.3Å; L404-P422 WeakPolarHBondContact CD2-O 3.39Å; Y405-P422 PolarHBondContact N-O 3.35Å
423	E	75.5	Confident	73.2	Confident	150 Å²	150	61.9 Å²	61.9	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-41.2	-175.6	-65.8	-176.9	167.7	0	0	111.8	L404 D421	L404-E423 HydrophobicContact CD2-CG 4.02Å; D421-E423 VanDerWaalsContact C-N 3.31Å; D421-E423 PolarHBondContact O-N 3.4Å; D421-E423 PolarHBondContact OD1-N 2.96Å; D421-E423 VanDerWaalsContact OD1-N 3.12Å
424	T	77.1	Confident	73.3	Confident	60 Å²	60	62.4 Å²	62.4	37%	0.368	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-16.9	-172	66.6	0	0	0	0	114.1	D421 K426	D421-T424 VanDerWaalsContact CB-OG1 3.31Å; D421-T424 WeakPolarHBondContact CB-OG1 3.02Å; D421-T424 WeakPolarHBondContact OD1-CB 3.39Å; D421-T424 WeakPolarHBondContact OD1-CG2 3.31Å; D421-T424 PolarHBondContact OD1-N 3.36Å; D421-T424 PolarHBondContact OD1-OG1 3.05Å; T424-K426 PolarHBondContact O-N 2.86Å
425	G	75.7	Confident	73.3	Confident	13 Å²	13	65.5 Å²	65.5	13%	0.134	36%	0.356	C	S	.	.			trans	69.9	6.1	-176.8	0	0	0	0	0	114.8	Y405 D421	Y405-G425 VanDerWaalsContact CD2-N 3.29Å; Y405-G425 VanDerWaalsContact CE2-CA 3.5Å; D421-G425 VanDerWaalsContact O-CA 3.31Å; D421-G425 WeakPolarHBondContact O-CA 3.22Å; D421-G425 PolarHBondContact O-N 2.97Å
426	K	69.3	Low	73.4	Confident	116 Å²	116	67.2 Å²	67.2	50%	0.504	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.5	137.1	-178.7	-70.4	178.7	-179	172.4	0	110.5	S420 D421 T424 I428	S420-K426 VanDerWaalsContact CA-O 3.29Å; S420-K426 WeakPolarHBondContact CA-O 3.34Å; D421-K426 PolarHBondContact N-O 3.23Å; T424-K426 PolarHBondContact O-N 2.86Å; K426-I428 PolarHBondContact O-N 2.89Å
427	P	71.4	Confident	73.6	Confident	84 Å²	84	71.7 Å²	71.7	55%	0.545	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-65.8	134.4	176.5	27.5	-33.8	0	0	0	110.4	W418 P429	W418-P427 HydrophobicContact CG-CB 4.19Å; P427-P429 WeakPolarHBondContact O-CD 3.34Å
428	I	60	Low	73.3	Confident	36 Å²	36	71.7 Å²	71.7	19%	0.185	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-77.8	120.6	173.2	-59.6	177.7	0	0	0	107.6	C419 K426 T431 W444	C419-I428 HydrophobicContact CB-CB 4.17Å; C419-I428 HydrophobicContact CB-CD1 3.84Å; C419-I428 HydrophobicContact CB-CG1 4.29Å; C419-I428 WeakPolarHBondContact O-CB 3.46Å; C419-I428 PolarHBondContact O-N 3.12Å; K426-I428 PolarHBondContact O-N 2.89Å; I428-T431 HydrophobicContact CB-CG2 3.91Å; I428-T431 HydrophobicContact CG2-CG2 3.63Å; I428-T431 PolarHBondContact O-N 2.77Å; I428-T431 PolarHBondContact O-OG1 2.98Å; I428-W444 HydrophobicContact CD1-CD2 3.99Å; I428-W444 HydrophobicContact CD1-CE3 4.42Å; I428-W444 HydrophobicContact CD1-CG 4.13Å
429	P	52	Low	72.9	Confident	85 Å²	85	75.4 Å²	75.4	55%	0.552	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	149	-178.9	-25.2	34.4	0	0	0	112.9	P427 T431	P427-P429 WeakPolarHBondContact O-CD 3.34Å; P429-T431 PolarHBondContact O-N 3.24Å; P429-T431 VanDerWaalsContact O-N 3.12Å
430	N	49.2	Very low	72.4	Confident	156 Å²	156	76.2 Å²	76.2	83%	0.834	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.8	178.2	-56.3	-29.8	0	0	0	116.1
431	T	63.7	Low	71.5	Confident	24 Å²	24	81.3 Å²	81.3	15%	0.147	45%	0.447	C	S	.	.			trans	-100.8	6.1	173.4	66.4	0	0	0	0	113	C419 I428 P429 P438	C419-T431 HydrophobicContact CB-CG2 3.96Å; C419-T431 PolarHBondContact N-OG1 3.33Å; I428-T431 HydrophobicContact CB-CG2 3.91Å; I428-T431 HydrophobicContact CG2-CG2 3.63Å; I428-T431 PolarHBondContact O-N 2.77Å; I428-T431 PolarHBondContact O-OG1 2.98Å; P429-T431 PolarHBondContact O-N 3.24Å; P429-T431 VanDerWaalsContact O-N 3.12Å; T431-P438 WeakPolarHBondContact O-CB 3.34Å
432	S	73.6	Confident	70.3	Confident	73 Å²	73	86.3 Å²	86.3	51%	0.51	47%	0.466	S	S	.	.			trans	-79.3	128.4	-175.2	-165.5	0	0	0	0	112.4	C417	C417-S432 CarbonylContact O-C 3.24Å; C417-S432 WeakPolarHBondContact O-CA 3.01Å; C417-S432 PolarHBondContact O-OG 3.42Å
433	T	71.3	Confident	68.1	Low	42 Å²	42	88.6 Å²	88.6	26%	0.258	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.2	178.5	48.2	0	0	0	0	110.1	F416 C417 A436 P438	F416-T433 CarbonylContact C-O 3.5Å; F416-T433 WeakPolarHBondContact CA-O 3.23Å; C417-T433 PolarHBondContact N-O 3.2Å; C417-T433 PolarHBondContact O-N 3.2Å; T433-A436 WeakPolarHBondContact CB-O 3.46Å; T433-A436 PolarHBondContact OG1-O 2.77Å; T433-P438 HydrophobicContact CG2-CB 4.1Å; T433-P438 WeakPolarHBondContact OG1-CD 3.48Å
434	K	75.7	Confident	66.3	Low	142 Å²	142	85.3 Å²	85.3	62%	0.617	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.4	175	-167.6	177.8	-175.5	-179.6	0	109.6	F416 A436	F416-K434 HydrophobicContact CD1-CB 4.21Å; F416-K434 HydrophobicContact CD1-CG 4.5Å; F416-K434 HydrophobicContact CE1-CB 3.99Å; F416-K434 HydrophobicContact CE1-CD 4.36Å; F416-K434 HydrophobicContact CE1-CG 4.17Å; F416-K434 HydrophobicContact CZ-CD 4.26Å; F416-K434 HydrophobicContact CZ-CG 4.39Å; K434-A436 PolarHBondContact O-N 2.76Å; K434-A436 VanDerWaalsContact O-N 3.15Å
435	N	76.3	Confident	64.5	Low	133 Å²	133	89.5 Å²	89.5	71%	0.711	48%	0.48	S	S	*	.	S	Bend	trans	58.5	19.9	178.9	-55.4	-29.3	0	0	0	115.4	G415	G415-N435 PolarHBondContact O-N 2.89Å
436	A	78.6	Confident	62.8	Low	52 Å²	52	97.6 Å²	97.6	43%	0.43	51%	0.511	S	S	.	.	S	Bend	trans	-141.7	155.9	178.6	0	0	0	0	0	110.5	C417 T433 K434	C417-A436 WeakPolarHBondContact CB-O 3.47Å; T433-A436 WeakPolarHBondContact CB-O 3.46Å; T433-A436 PolarHBondContact OG1-O 2.77Å; K434-A436 PolarHBondContact O-N 2.76Å; K434-A436 VanDerWaalsContact O-N 3.15Å
437	K	81.6	Confident	61.6	Low	178 Å²	178	95.7 Å²	95.7	77%	0.774	51%	0.509	S	S	*	.			trans	-82	130.5	173.6	-70.9	-177.2	179.8	178	0	110.1
438	P	78.4	Confident	60.7	Low	13 Å²	13	99.2 Å²	99.2	8%	0.084	52%	0.516	C	S	.	.			trans	-74.5	152.1	178.3	32.1	-35.5	0	0	0	111.5	V408 C417 T431 T433 C440	V408-P438 HydrophobicContact CG1-CG 4.2Å; V408-P438 HydrophobicContact CG2-CG 4.44Å; C417-P438 HydrophobicContact CB-CG 4.45Å; T431-P438 WeakPolarHBondContact O-CB 3.34Å; T433-P438 HydrophobicContact CG2-CB 4.1Å; T433-P438 WeakPolarHBondContact OG1-CD 3.48Å; P438-C440 PolarHBondContact O-N 3.12Å
439	V	78.6	Confident	60.9	Low	123 Å²	123	98.4 Å²	98.4	75%	0.745	51%	0.512	S	S	*	.			trans	-80.2	109.2	174.8	-178.8	0	0	0	0	108.5
440	C	70.6	Confident	61.6	Low	17 Å²	17	99.4 Å²	99.4	12%	0.115	52%	0.521	C	S	.	.			trans	-105.9	79	179.8	-51.3	0	0	0	0	110	Q407 V408 C419 P438 W444	Q407-C440 HydrophobicContact CG-CB 3.59Å; Q407-C440 PolarHBondContact NE2-O 3.31Å; V408-C440 HydrophobicContact CG2-CB 4.5Å; V408-C440 WeakPolarHBondContact CG2-SG 3.37Å; C419-C440 HydrophobicContact CB-CB 4Å; C419-C440 WeakPolarHBondContact CB-SG 3.14Å; C419-C440 WeakPolarHBondContact SG-CA 3.15Å; C419-C440 WeakPolarHBondContact SG-CB 3.43Å; C419-C440 CovalentContact SG-SG 2.04Å; C419-C440 PolarHBondContact SG-SG 3.15Å; P438-C440 PolarHBondContact O-N 3.12Å; C440-W444 HydrophobicContact CB-CZ2 3.97Å
441	D	62.5	Low	63.1	Low	108 Å²	108	92.1 Å²	92.1	58%	0.578	48%	0.482	S	S	*	.			trans	-77.2	133.3	175.3	-94.5	-29.3	0	0	0	111.4	S443 W444	D441-S443 PolarHBondContact O-N 2.97Å; D441-S443 PolarHBondContact O-OG 3.49Å; D441-W444 PolarHBondContact O-NE1 2.81Å
442	K	49.5	Very low	63.8	Low	164 Å²	164	101.4 Å²	101.4	71%	0.713	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-59	10.7	179.7	-63.7	-177.7	178.7	-179.2	0	115.7	W444	K442-W444 VanDerWaalsContact C-N 3.28Å; K442-W444 PolarHBondContact O-N 3.28Å
443	S	39.3	Very low	64	Low	91 Å²	91	100.1 Å²	100.1	64%	0.636	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-72.2	-14.5	177.3	56.5	0	0	0	0	114.1	D441 E445	D441-S443 PolarHBondContact O-N 2.97Å; D441-S443 PolarHBondContact O-OG 3.49Å; S443-E445 PolarHBondContact O-N 3.43Å
444	W	38.9	Very low	64.6	Low	81 Å²	81	98.9 Å²	98.9	31%	0.307	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-73.4	-5	178.6	16.7	-99	0	0	0	114.8	Q407 I428 C440 D441 K442 K446	Q407-W444 HydrophobicContact CG-CH2 3.61Å; Q407-W444 HydrophobicContact CG-CZ2 3.65Å; I428-W444 HydrophobicContact CD1-CD2 3.99Å; I428-W444 HydrophobicContact CD1-CE3 4.42Å; I428-W444 HydrophobicContact CD1-CG 4.13Å; C440-W444 HydrophobicContact CB-CZ2 3.97Å; D441-W444 PolarHBondContact O-NE1 2.81Å; K442-W444 VanDerWaalsContact C-N 3.28Å; K442-W444 PolarHBondContact O-N 3.28Å; W444-K446 PolarHBondContact O-N 2.87Å
445	E	37.4	Very low	64.8	Low	149 Å²	149	93.7 Å²	93.7	70%	0.696	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-70.6	-23.1	-173.8	-132.4	166	-152.9	0	0	113.9	S443	S443-E445 PolarHBondContact O-N 3.43Å
446	K	40.2	Very low	64.6	Low	182 Å²	182	90.7 Å²	90.7	79%	0.791	48%	0.48	S	S	*	.			trans	-159.4	70.6	-175.1	-68.2	-177.2	178.5	142.5	0	115.8	W444 K448	W444-K446 PolarHBondContact O-N 2.87Å; K446-K448 PolarHBondContact O-N 2.85Å; K446-K448 VanDerWaalsContact O-N 3.08Å
447	V	44.6	Very low	64.3	Low	76 Å²	76	95.7 Å²	95.7	46%	0.461	49%	0.492	S	S	.	.			trans	-85.6	62	157.1	-165.9	0	0	0	0	109.7	L449 L557	V447-L449 VanDerWaalsContact C-N 3.29Å; V447-L449 PolarHBondContact O-N 2.82Å; V447-L557 HydrophobicContact CG1-CD2 4.08Å
448	K	53.6	Low	64.2	Low	158 Å²	158	92.4 Å²	92.4	69%	0.687	48%	0.478	S	S	*	.			trans	-76	87.1	169.4	-162.6	174.4	-169.3	171.5	0	106.8	K446 S450	K446-K448 PolarHBondContact O-N 2.85Å; K446-K448 VanDerWaalsContact O-N 3.08Å; K448-S450 VanDerWaalsContact C-N 3.34Å; K448-S450 PolarHBondContact O-N 3.11Å
449	L	63.5	Low	64.3	Low	19 Å²	19	92.5 Å²	92.5	10%	0.099	48%	0.477	C	S	.	.			trans	-58.4	99.9	176.5	-168.6	83.2	0	0	0	109.5	V447 I451 L459 F533 A536 L557	V447-L449 VanDerWaalsContact C-N 3.29Å; V447-L449 PolarHBondContact O-N 2.82Å; L449-I451 HydrophobicContact CD2-CD1 3.59Å; L449-I451 HydrophobicContact CD2-CG1 3.44Å; L449-I451 VanDerWaalsContact CD2-CG1 3.44Å; L449-I451 HydrophobicContact CG-CG1 3.91Å; L449-I451 PolarHBondContact O-N 2.84Å; L449-L459 HydrophobicContact CD2-CD1 4.36Å; L449-L459 VanDerWaalsContact O-CD2 3.31Å; L449-L459 WeakPolarHBondContact O-CD2 3.49Å; L449-F533 HydrophobicContact CD2-CD2 4.07Å; L449-F533 HydrophobicContact CD2-CE2 4.14Å; L449-A536 HydrophobicContact CD1-CB 3.85Å; L449-A536 HydrophobicContact CD2-CB 4.47Å; L449-A536 HydrophobicContact CG-CB 4.26Å; L449-L557 HydrophobicContact CB-CD1 3.37Å; L449-L557 HydrophobicContact CB-CD2 3.53Å; L449-L557 HydrophobicContact CB-CG 4.13Å; L449-L557 HydrophobicContact CD1-CD1 4.07Å; L449-L557 HydrophobicContact CD2-CD1 3.16Å; L449-L557 HydrophobicContact CG-CD1 3.64Å
450	S	66.9	Low	63.9	Low	106 Å²	106	89.5 Å²	89.5	74%	0.741	45%	0.453	S	S	*	.			trans	-95.6	84.5	179.6	-171.3	0	0	0	0	108.7	K448 R452	K448-S450 VanDerWaalsContact C-N 3.34Å; K448-S450 PolarHBondContact O-N 3.11Å; S450-R452 PolarHBondContact O-N 3.49Å
451	I	79.4	Confident	64.1	Low	4 Å²	4	96 Å²	96	2%	0.021	48%	0.475	C	S	.	.			trans	-74.1	116.3	174.5	-53	176.4	0	0	0	108.6	L449 G453 C454 L459 F462 C529 N532 F533 A536	L449-I451 HydrophobicContact CD2-CD1 3.59Å; L449-I451 HydrophobicContact CD2-CG1 3.44Å; L449-I451 VanDerWaalsContact CD2-CG1 3.44Å; L449-I451 HydrophobicContact CG-CG1 3.91Å; L449-I451 PolarHBondContact O-N 2.84Å; I451-G453 PolarHBondContact O-N 2.92Å; I451-G453 VanDerWaalsContact O-N 3.09Å; I451-C454 HydrophobicContact CB-CB 3.68Å; I451-C454 HydrophobicContact CG2-CB 3.99Å; I451-C454 VanDerWaalsContact O-CB 3.27Å; I451-C454 WeakPolarHBondContact O-CB 3.01Å; I451-C454 PolarHBondContact O-N 2.9Å; I451-L459 HydrophobicContact CD1-CD1 3.46Å; I451-L459 VanDerWaalsContact CD1-CD1 3.46Å; I451-L459 HydrophobicContact CG1-CD1 4.05Å; I451-F462 HydrophobicContact CD1-CD1 4.26Å; I451-F462 HydrophobicContact CD1-CE1 4.23Å; I451-C529 HydrophobicContact CD1-CB 4.45Å; I451-N532 HydrophobicContact CG2-CB 3.43Å; I451-N532 VanDerWaalsContact CG2-CB 3.43Å; I451-F533 HydrophobicContact CD1-CB 4.16Å; I451-F533 HydrophobicContact CD1-CD2 3.88Å; I451-A536 HydrophobicContact CG1-CB 4Å
452	R	78.8	Confident	65.2	Low	219 Å²	219	90.8 Å²	90.8	83%	0.826	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	120	178.2	-170.9	175.4	-178.5	-177	1.1	111.3	S450 N532	S450-R452 PolarHBondContact O-N 3.49Å; R452-N532 PolarHBondContact O-ND2 3.07Å
453	G	78.9	Confident	66.8	Low	45 Å²	45	83.1 Å²	83.1	46%	0.464	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	8.7	-180	0	0	0	0	0	115.6	I451 K528	I451-G453 PolarHBondContact O-N 2.92Å; I451-G453 VanDerWaalsContact O-N 3.09Å; G453-K528 VanDerWaalsContact O-CB 3.24Å; G453-K528 WeakPolarHBondContact O-CB 3.44Å; G453-K528 VanDerWaalsContact O-CD 3.25Å; G453-K528 WeakPolarHBondContact O-CD 3.35Å
454	C	83.9	Confident	68.4	Low	16 Å²	16	82.1 Å²	82.1	11%	0.108	40%	0.398	C	S	.	.			trans	-112	101	174.3	-169.2	0	0	0	0	109.9	I451 L459 C529	I451-C454 HydrophobicContact CB-CB 3.68Å; I451-C454 HydrophobicContact CG2-CB 3.99Å; I451-C454 VanDerWaalsContact O-CB 3.27Å; I451-C454 WeakPolarHBondContact O-CB 3.01Å; I451-C454 PolarHBondContact O-N 2.9Å; C454-L459 WeakPolarHBondContact SG-CA 3.32Å; C454-L459 PolarHBondContact SG-N 3.1Å; C454-L459 VanDerWaalsContact SG-N 3.35Å; C454-C529 HydrophobicContact CB-CB 3.8Å; C454-C529 WeakPolarHBondContact CB-SG 3.45Å; C454-C529 WeakPolarHBondContact SG-CB 3.34Å; C454-C529 CovalentContact SG-SG 2.02Å; C454-C529 PolarHBondContact SG-SG 3.18Å
455	G	80.1	Confident	70.4	Confident	34 Å²	34	81.3 Å²	81.3	35%	0.351	40%	0.398	S	S	.	.			trans	-68.2	163.6	174.6	0	0	0	0	0	112.3	K457 K458 L459	G455-K457 PolarHBondContact O-N 3.21Å; G455-K458 CarbonylContact O-C 3.59Å; G455-K458 WeakPolarHBondContact O-CA 3.05Å; G455-K458 WeakPolarHBondContact O-CB 3.48Å; G455-K458 PolarHBondContact O-N 3.44Å; G455-L459 PolarHBondContact O-N 2.77Å
456	P	70.4	Confident	72.8	Confident	69 Å²	69	74.2 Å²	74.2	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-54.9	-46.1	-172	19.5	-33.4	0	0	0	114	K458 L459 R460 V574	P456-K458 VanDerWaalsContact C-N 3.32Å; P456-K458 PolarHBondContact O-N 2.87Å; P456-L459 WeakPolarHBondContact O-CB 3.31Å; P456-L459 PolarHBondContact O-N 3.02Å; P456-R460 PolarHBondContact O-N 2.92Å; P456-V574 HydrophobicContact CB-CB 4.41Å; P456-V574 HydrophobicContact CB-CG1 3.12Å
457	K	72.2	Confident	74.8	Confident	158 Å²	158	66 Å²	66	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-36.6	176.2	-65.9	-177.7	178.9	-179.8	0	112.8	G455 R461	G455-K457 PolarHBondContact O-N 3.21Å; K457-R461 PolarHBondContact O-N 3.04Å
458	K	81	Confident	76.1	Confident	109 Å²	109	63 Å²	63	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-74.6	-35.9	177.7	-68.2	-176.3	179.7	174.2	0	111.1	G455 P456 R461 F462	G455-K458 CarbonylContact O-C 3.59Å; G455-K458 WeakPolarHBondContact O-CA 3.05Å; G455-K458 WeakPolarHBondContact O-CB 3.48Å; G455-K458 PolarHBondContact O-N 3.44Å; P456-K458 VanDerWaalsContact C-N 3.32Å; P456-K458 PolarHBondContact O-N 2.87Å; K458-R461 PolarHBondContact O-N 2.87Å; K458-F462 VanDerWaalsContact O-CB 3.32Å; K458-F462 WeakPolarHBondContact O-CB 3.22Å; K458-F462 PolarHBondContact O-N 3.42Å
459	L	79.7	Confident	77.4	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-46.1	175.3	-177.2	62.2	0	0	0	110.8	L449 I451 C454 G455 P456 R461 F462 L463 V574	L449-L459 HydrophobicContact CD2-CD1 4.36Å; L449-L459 VanDerWaalsContact O-CD2 3.31Å; L449-L459 WeakPolarHBondContact O-CD2 3.49Å; I451-L459 HydrophobicContact CD1-CD1 3.46Å; I451-L459 VanDerWaalsContact CD1-CD1 3.46Å; I451-L459 HydrophobicContact CG1-CD1 4.05Å; C454-L459 WeakPolarHBondContact SG-CA 3.32Å; C454-L459 PolarHBondContact SG-N 3.1Å; C454-L459 VanDerWaalsContact SG-N 3.35Å; G455-L459 PolarHBondContact O-N 2.77Å; P456-L459 WeakPolarHBondContact O-CB 3.31Å; P456-L459 PolarHBondContact O-N 3.02Å; L459-R461 PolarHBondContact O-N 3.3Å; L459-F462 HydrophobicContact CD1-CD1 4.37Å; L459-F462 WeakPolarHBondContact O-CB 3.22Å; L459-F462 PolarHBondContact O-N 3.35Å; L459-F462 VanDerWaalsContact O-N 3.13Å; L459-L463 HydrophobicContact CD1-CD1 4.25Å; L459-L463 HydrophobicContact CD1-CG 4.22Å; L459-L463 HydrophobicContact CG-CD1 4.04Å; L459-L463 HydrophobicContact CG-CG 4.42Å; L459-L463 WeakPolarHBondContact O-CG 3.3Å; L459-L463 PolarHBondContact O-N 3.28Å; L459-V574 HydrophobicContact CD2-CG2 4.29Å
460	R	70.4	Confident	78.3	Confident	60 Å²	60	56 Å²	56	23%	0.226	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-49.8	174.5	-69.1	-162.2	-96.6	-119.2	-10.4	113.2	P456 F462 L463 F464 V572 V574	P456-R460 PolarHBondContact O-N 2.92Å; R460-F462 VanDerWaalsContact C-N 3.27Å; R460-F462 PolarHBondContact O-N 2.93Å; R460-L463 PolarHBondContact O-N 3.21Å; R460-F464 WeakPolarHBondContact O-CB 3.41Å; R460-F464 PolarHBondContact O-N 2.8Å; R460-V572 HydrophobicContact CB-CB 4.15Å; R460-V572 HydrophobicContact CB-CG1 4.25Å; R460-V572 HydrophobicContact CB-CG2 4.31Å; R460-V572 HydrophobicContact CG-CB 3.68Å; R460-V572 HydrophobicContact CG-CG1 3.75Å; R460-V572 HydrophobicContact CG-CG2 4.36Å; R460-V574 HydrophobicContact CG-CB 3.76Å; R460-V574 HydrophobicContact CG-CG2 3.31Å; R460-V574 PolarHBondContact NH1-O 3.43Å
461	R	75.4	Confident	78.8	Confident	152 Å²	152	53 Å²	53	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-61.6	-38.5	177.3	-69.7	-179.2	-174.5	176.1	1.6	111.9	K457 K458 L459 Q465 V526	K457-R461 PolarHBondContact O-N 3.04Å; K458-R461 PolarHBondContact O-N 2.87Å; L459-R461 PolarHBondContact O-N 3.3Å; R461-Q465 WeakPolarHBondContact O-CB 3.27Å; R461-Q465 PolarHBondContact O-N 3.26Å; R461-Q465 VanDerWaalsContact O-N 3.09Å; R461-V526 HydrophobicContact CB-CG1 3.94Å
462	F	85	Confident	78.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-49.7	177.7	170.6	-100.8	0	0	0	111.3	I451 K458 L459 R460 Q465 L466 L520 W523 V526 C529 G530 F533	I451-F462 HydrophobicContact CD1-CD1 4.26Å; I451-F462 HydrophobicContact CD1-CE1 4.23Å; K458-F462 VanDerWaalsContact O-CB 3.32Å; K458-F462 WeakPolarHBondContact O-CB 3.22Å; K458-F462 PolarHBondContact O-N 3.42Å; L459-F462 HydrophobicContact CD1-CD1 4.37Å; L459-F462 WeakPolarHBondContact O-CB 3.22Å; L459-F462 PolarHBondContact O-N 3.35Å; L459-F462 VanDerWaalsContact O-N 3.13Å; R460-F462 VanDerWaalsContact C-N 3.27Å; R460-F462 PolarHBondContact O-N 2.93Å; F462-Q465 PolarHBondContact O-N 3.13Å; F462-L466 HydrophobicContact CE1-CD2 4.16Å; F462-L466 HydrophobicContact CZ-CD2 4.31Å; F462-L466 VanDerWaalsContact O-CB 3.31Å; F462-L466 WeakPolarHBondContact O-CB 3.41Å; F462-L466 PolarHBondContact O-N 2.87Å; F462-L520 HydrophobicContact CE2-CD2 4.37Å; F462-L520 HydrophobicContact CZ-CD1 4.43Å; F462-W523 HydrophobicContact CD2-CE3 4.19Å; F462-W523 HydrophobicContact CD2-CZ3 4.26Å; F462-W523 HydrophobicContact CE2-CE3 4.17Å; F462-W523 HydrophobicContact CE2-CZ3 4Å; F462-V526 HydrophobicContact CB-CB 3.97Å; F462-V526 HydrophobicContact CB-CG1 3.99Å; F462-V526 HydrophobicContact CB-CG2 4.46Å; F462-V526 HydrophobicContact CD2-CB 4.24Å; F462-V526 HydrophobicContact CD2-CG2 4.14Å; F462-C529 HydrophobicContact CB-CB 3.69Å; F462-C529 HydrophobicContact CD1-CB 4.08Å; F462-C529 HydrophobicContact CD2-CB 3.74Å; F462-C529 HydrophobicContact CE2-CB 4.47Å; F462-C529 HydrophobicContact CG-CB 3.52Å; F462-G530 VanDerWaalsContact CE2-CA 3.44Å; F462-F533 HydrophobicContact CE1-CB 3.85Å; F462-F533 HydrophobicContact CE1-CD1 4.13Å; F462-F533 AromaticContact CE1-CD2 3.42Å; F462-F533 HydrophobicContact CE1-CD2 3.42Å; F462-F533 VanDerWaalsContact CE1-CD2 3.42Å; F462-F533 AromaticContact CE1-CE2 3.95Å; F462-F533 HydrophobicContact CE1-CE2 3.95Å; F462-F533 AromaticContact CE1-CG 3.51Å; F462-F533 HydrophobicContact CE1-CG 3.51Å; F462-F533 HydrophobicContact CE2-CB 4.49Å; F462-F533 HydrophobicContact CZ-CB 3.55Å; F462-F533 AromaticContact CZ-CD1 3.75Å; F462-F533 HydrophobicContact CZ-CD1 3.75Å; F462-F533 AromaticContact CZ-CD2 3.87Å; F462-F533 HydrophobicContact CZ-CD2 3.87Å; F462-F533 HydrophobicContact CZ-CE1 4.42Å; F462-F533 AromaticContact CZ-CG 3.42Å; F462-F533 HydrophobicContact CZ-CG 3.42Å; F462-F533 VanDerWaalsContact CZ-CG 3.42Å
463	L	82.7	Confident	78.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-44.4	180	-67.5	172	0	0	0	111.5	L459 R460 Q465 L466 F467 L557 Y558 V572	L459-L463 HydrophobicContact CD1-CD1 4.25Å; L459-L463 HydrophobicContact CD1-CG 4.22Å; L459-L463 HydrophobicContact CG-CD1 4.04Å; L459-L463 HydrophobicContact CG-CG 4.42Å; L459-L463 WeakPolarHBondContact O-CG 3.3Å; L459-L463 PolarHBondContact O-N 3.28Å; R460-L463 PolarHBondContact O-N 3.21Å; L463-Q465 PolarHBondContact O-N 3.04Å; L463-L466 HydrophobicContact CD2-CD2 4.43Å; L463-L466 WeakPolarHBondContact O-CA 3.09Å; L463-L466 WeakPolarHBondContact O-CB 3.34Å; L463-L466 PolarHBondContact O-N 2.92Å; L463-L466 VanDerWaalsContact O-N 3.12Å; L463-F467 WeakPolarHBondContact O-CD2 3.42Å; L463-F467 PolarHBondContact O-N 3.04Å; L463-L557 HydrophobicContact CD1-CB 3.88Å; L463-L557 HydrophobicContact CD2-CB 4.21Å; L463-L557 HydrophobicContact CD2-CD1 4.13Å; L463-Y558 HydrophobicContact CB-CD2 4.05Å; L463-Y558 HydrophobicContact CB-CE2 4.46Å; L463-V572 HydrophobicContact CD1-CG1 3.91Å
464	F	73.4	Confident	78.5	Confident	70 Å²	70	44.6 Å²	44.6	31%	0.307	22%	0.224	S	C	.	.	H	α-helix	trans	-58.2	-47.6	175.9	-174.5	-87.3	0	0	0	112.3	F142 R460 L466 S468 Y558	F142-F464 HydrophobicContact CD1-CE1 4.27Å; F142-F464 AromaticContact CE1-CE1 3.58Å; F142-F464 HydrophobicContact CE1-CE1 3.58Å; F142-F464 AromaticContact CE1-CZ 3.98Å; F142-F464 HydrophobicContact CE1-CZ 3.98Å; F142-F464 HydrophobicContact CE2-CE1 4.15Å; F142-F464 AromaticContact CZ-CE1 3.52Å; F142-F464 HydrophobicContact CZ-CE1 3.52Å; F142-F464 HydrophobicContact CZ-CZ 4.07Å; R460-F464 WeakPolarHBondContact O-CB 3.41Å; R460-F464 PolarHBondContact O-N 2.8Å; F464-L466 VanDerWaalsContact C-N 3.31Å; F464-L466 PolarHBondContact O-N 3.32Å; F464-S468 PolarHBondContact O-N 2.89Å; F464-S468 VanDerWaalsContact O-N 3.1Å; F464-Y558 VanDerWaalsContact CD2-OH 3.26Å; F464-Y558 WeakPolarHBondContact CD2-OH 3.5Å
465	Q	82	Confident	77.9	Confident	64 Å²	64	45.6 Å²	45.6	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-40.2	175.8	-175.4	65.2	26.6	0	0	111.1	R461 F462 L463 S468 T469 W523	R461-Q465 WeakPolarHBondContact O-CB 3.27Å; R461-Q465 PolarHBondContact O-N 3.26Å; R461-Q465 VanDerWaalsContact O-N 3.09Å; F462-Q465 PolarHBondContact O-N 3.13Å; L463-Q465 PolarHBondContact O-N 3.04Å; Q465-S468 PolarHBondContact O-N 2.71Å; Q465-T469 HydrophobicContact CG-CG2 4.41Å; Q465-T469 VanDerWaalsContact O-CG2 3.25Å; Q465-T469 WeakPolarHBondContact O-CG2 3.4Å; Q465-T469 PolarHBondContact O-N 3.29Å; Q465-T469 PolarHBondContact O-OG1 2.62Å; Q465-T469 VanDerWaalsContact O-OG1 3.11Å; Q465-W523 HydrophobicContact CB-CE3 4.01Å; Q465-W523 HydrophobicContact CB-CZ3 3.96Å; Q465-W523 HydrophobicContact CG-CD2 3.86Å; Q465-W523 HydrophobicContact CG-CE3 3.47Å; Q465-W523 VanDerWaalsContact CG-CE3 3.47Å; Q465-W523 HydrophobicContact CG-CH2 4.16Å; Q465-W523 HydrophobicContact CG-CZ2 4.44Å; Q465-W523 HydrophobicContact CG-CZ3 3.65Å
466	L	86.3	Confident	77.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-61.7	176.8	-177.4	67.6	0	0	0	110.7	F462 L463 F464 S468 T469 L470 Y516 L520 W523 F533	F462-L466 HydrophobicContact CE1-CD2 4.16Å; F462-L466 HydrophobicContact CZ-CD2 4.31Å; F462-L466 VanDerWaalsContact O-CB 3.31Å; F462-L466 WeakPolarHBondContact O-CB 3.41Å; F462-L466 PolarHBondContact O-N 2.87Å; L463-L466 HydrophobicContact CD2-CD2 4.43Å; L463-L466 WeakPolarHBondContact O-CA 3.09Å; L463-L466 WeakPolarHBondContact O-CB 3.34Å; L463-L466 PolarHBondContact O-N 2.92Å; L463-L466 VanDerWaalsContact O-N 3.12Å; F464-L466 VanDerWaalsContact C-N 3.31Å; F464-L466 PolarHBondContact O-N 3.32Å; L466-S468 VanDerWaalsContact C-N 3.34Å; L466-S468 PolarHBondContact O-N 3.37Å; L466-T469 PolarHBondContact O-N 3.1Å; L466-T469 PolarHBondContact O-OG1 3.34Å; L466-L470 HydrophobicContact CD1-CD1 4.5Å; L466-L470 HydrophobicContact CD1-CD2 4.49Å; L466-L470 HydrophobicContact CD1-CG 4.38Å; L466-L470 HydrophobicContact CG-CD1 4.17Å; L466-L470 HydrophobicContact CG-CG 4.38Å; L466-L470 WeakPolarHBondContact O-CG 3.03Å; L466-L470 PolarHBondContact O-N 3.2Å; L466-Y516 HydrophobicContact CD1-CE1 4.48Å; L466-Y516 VanDerWaalsContact CD1-OH 3.27Å; L466-Y516 WeakPolarHBondContact CD1-OH 3.39Å; L466-L520 HydrophobicContact CD1-CD2 3.89Å; L466-W523 HydrophobicContact CB-CH2 4.25Å; L466-W523 HydrophobicContact CB-CZ3 4.08Å; L466-W523 HydrophobicContact CD1-CH2 4Å; L466-W523 HydrophobicContact CD1-CZ3 4.37Å; L466-F533 HydrophobicContact CD1-CE1 4.43Å; L466-F533 HydrophobicContact CD2-CD1 4.5Å; L466-F533 HydrophobicContact CD2-CE1 3.7Å; L466-F533 HydrophobicContact CD2-CE2 4.14Å; L466-F533 HydrophobicContact CD2-CZ 3.5Å; L466-F533 VanDerWaalsContact CD2-CZ 3.5Å
467	F	82.5	Confident	77.7	Confident	9 Å²	9	47.4 Å²	47.4	4%	0.039	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-42.6	-178.7	-77.2	-71.8	0	0	0	113.4	L463 T469 L470 E471 R489 V493 T554 Y558	L463-F467 WeakPolarHBondContact O-CD2 3.42Å; L463-F467 PolarHBondContact O-N 3.04Å; F467-T469 PolarHBondContact O-N 3.02Å; F467-L470 HydrophobicContact CD1-CD1 4.41Å; F467-L470 PolarHBondContact O-N 3.44Å; F467-E471 PolarHBondContact O-N 2.94Å; F467-R489 HydrophobicContact CD1-CB 4.46Å; F467-V493 HydrophobicContact CD1-CG2 4.22Å; F467-V493 HydrophobicContact CE1-CG2 3.58Å; F467-T554 VanDerWaalsContact CZ-O 3.23Å; F467-T554 WeakPolarHBondContact CZ-O 3.3Å; F467-Y558 HydrophobicContact CD2-CD1 4.29Å; F467-Y558 AromaticContact CD2-CD2 3.74Å; F467-Y558 HydrophobicContact CD2-CD2 3.74Å; F467-Y558 HydrophobicContact CD2-CE2 4.22Å; F467-Y558 AromaticContact CD2-CG 3.78Å; F467-Y558 HydrophobicContact CD2-CG 3.78Å; F467-Y558 HydrophobicContact CE2-CD1 4.36Å; F467-Y558 AromaticContact CE2-CD2 3.8Å; F467-Y558 HydrophobicContact CE2-CD2 3.8Å; F467-Y558 AromaticContact CE2-CG 3.6Å; F467-Y558 HydrophobicContact CE2-CG 3.6Å; F467-Y558 HydrophobicContact CZ-CG 4.36Å
468	S	71.7	Confident	77.5	Confident	15 Å²	15	42.2 Å²	42.2	11%	0.105	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-35.6	176.7	-178.9	0	0	0	0	112.3	R141 F142 F464 Q465 L466 S472	R141-S468 PolarHBondContact NH1-OG 2.04Å; R141-S468 VanDerWaalsContact NH1-OG 3.08Å; F142-S468 WeakPolarHBondContact CE2-OG 3.09Å; F464-S468 PolarHBondContact O-N 2.89Å; F464-S468 VanDerWaalsContact O-N 3.1Å; Q465-S468 PolarHBondContact O-N 2.71Å; L466-S468 VanDerWaalsContact C-N 3.34Å; L466-S468 PolarHBondContact O-N 3.37Å; S468-S472 WeakPolarHBondContact O-CB 3.42Å; S468-S472 PolarHBondContact O-N 2.78Å; S468-S472 PolarHBondContact O-OG 2.95Å
469	T	80.9	Confident	76.8	Confident	29 Å²	29	39.5 Å²	39.5	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-76.8	-35.9	177.7	58.5	0	0	0	0	112.7	Q465 L466 F467 S472 S473 W523	Q465-T469 HydrophobicContact CG-CG2 4.41Å; Q465-T469 VanDerWaalsContact O-CG2 3.25Å; Q465-T469 WeakPolarHBondContact O-CG2 3.4Å; Q465-T469 PolarHBondContact O-N 3.29Å; Q465-T469 PolarHBondContact O-OG1 2.62Å; Q465-T469 VanDerWaalsContact O-OG1 3.11Å; L466-T469 PolarHBondContact O-N 3.1Å; L466-T469 PolarHBondContact O-OG1 3.34Å; F467-T469 PolarHBondContact O-N 3.02Å; T469-S472 PolarHBondContact O-N 2.85Å; T469-S473 VanDerWaalsContact O-CB 3.29Å; T469-S473 WeakPolarHBondContact O-CB 3.48Å; T469-S473 PolarHBondContact O-N 3.4Å; T469-S473 PolarHBondContact O-OG 3.16Å; T469-W523 HydrophobicContact CG2-CH2 4.09Å; T469-W523 HydrophobicContact CG2-CZ2 3.7Å; T469-W523 WeakPolarHBondContact OG1-CH2 3.33Å; T469-W523 WeakPolarHBondContact OG1-CZ2 3.35Å
470	L	83.5	Confident	75.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-54.3	174.2	-65.9	-176.5	0	0	0	110.5	L466 F467 S472 S473 M474 A492 V493 K496 Y516	L466-L470 HydrophobicContact CD1-CD1 4.5Å; L466-L470 HydrophobicContact CD1-CD2 4.49Å; L466-L470 HydrophobicContact CD1-CG 4.38Å; L466-L470 HydrophobicContact CG-CD1 4.17Å; L466-L470 HydrophobicContact CG-CG 4.38Å; L466-L470 WeakPolarHBondContact O-CG 3.03Å; L466-L470 PolarHBondContact O-N 3.2Å; F467-L470 HydrophobicContact CD1-CD1 4.41Å; F467-L470 PolarHBondContact O-N 3.44Å; L470-S472 PolarHBondContact O-N 2.97Å; L470-S473 PolarHBondContact O-N 2.9Å; L470-M474 PolarHBondContact O-N 2.86Å; L470-A492 HydrophobicContact CB-CB 4.1Å; L470-V493 HydrophobicContact CD1-CG2 3.87Å; L470-K496 HydrophobicContact CD2-CB 3.6Å; L470-K496 HydrophobicContact CD2-CD 3.83Å; L470-K496 HydrophobicContact CD2-CG 3.36Å; L470-Y516 VanDerWaalsContact CD2-OH 3.28Å; L470-Y516 WeakPolarHBondContact CD2-OH 3.46Å
471	E	76	Confident	75.2	Confident	42 Å²	42	46.3 Å²	46.3	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-47.1	178.5	-74.5	-170	-159.2	0	0	111.6	F467 S473 M474 I475 R488 R489 A492	F467-E471 PolarHBondContact O-N 2.94Å; E471-S473 VanDerWaalsContact C-N 3.28Å; E471-S473 PolarHBondContact O-N 2.83Å; E471-M474 PolarHBondContact O-N 2.54Å; E471-I475 HydrophobicContact CB-CD1 4.48Å; E471-I475 WeakPolarHBondContact O-CB 3.48Å; E471-I475 WeakPolarHBondContact O-CD1 3.42Å; E471-I475 WeakPolarHBondContact O-CG1 3.2Å; E471-I475 PolarHBondContact O-N 2.05Å; E471-R488 IonicContact OE2-CZ 3.83Å; E471-R488 IonicContact OE2-NE 3.5Å; E471-R488 PolarHBondContact OE2-NE 3.34Å; E471-R488 IonicContact OE2-NH2 3.42Å; E471-R489 VanDerWaalsContact OE1-CG 3.29Å; E471-R489 WeakPolarHBondContact OE1-CG 3.22Å; E471-A492 HydrophobicContact CB-CB 4.37Å; E471-A492 HydrophobicContact CG-CB 3.84Å
472	S	72.3	Confident	74.2	Confident	35 Å²	35	46.8 Å²	46.8	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-35.1	-178.2	-57	0	0	0	0	112.2	R141 S468 T469 L470 A476	R141-S472 PolarHBondContact NH1-OG 2.81Å; R141-S472 PolarHBondContact NH2-OG 3.47Å; S468-S472 WeakPolarHBondContact O-CB 3.42Å; S468-S472 PolarHBondContact O-N 2.78Å; S468-S472 PolarHBondContact O-OG 2.95Å; T469-S472 PolarHBondContact O-N 2.85Å; L470-S472 PolarHBondContact O-N 2.97Å; S472-A476 VanDerWaalsContact O-CB 3.23Å; S472-A476 WeakPolarHBondContact O-CB 2.84Å; S472-A476 PolarHBondContact O-N 3.46Å
473	S	78.3	Confident	72.8	Confident	48 Å²	48	48.9 Å²	48.9	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-73.5	-40.4	178.7	-53.4	0	0	0	0	111.6	T469 L470 E471 I475 A476 S477 W495	T469-S473 VanDerWaalsContact O-CB 3.29Å; T469-S473 WeakPolarHBondContact O-CB 3.48Å; T469-S473 PolarHBondContact O-N 3.4Å; T469-S473 PolarHBondContact O-OG 3.16Å; L470-S473 PolarHBondContact O-N 2.9Å; E471-S473 VanDerWaalsContact C-N 3.28Å; E471-S473 PolarHBondContact O-N 2.83Å; S473-I475 VanDerWaalsContact C-N 3.32Å; S473-I475 PolarHBondContact O-N 2.94Å; S473-A476 PolarHBondContact O-N 3.44Å; S473-S477 PolarHBondContact O-N 3.15Å; S473-W495 VanDerWaalsContact CB-CH2 3.44Å; S473-W495 WeakPolarHBondContact O-CH2 3.42Å
474	M	80.7	Confident	71.4	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-45	174	-179.6	-176.5	70.9	0	0	111.5	L470 E471 S477 Y479 R488 L491 A492 W495	L470-M474 PolarHBondContact O-N 2.86Å; E471-M474 PolarHBondContact O-N 2.54Å; M474-S477 PolarHBondContact O-N 2.96Å; M474-S477 PolarHBondContact O-OG 3.01Å; M474-Y479 HydrophobicContact CG-CD1 3.76Å; M474-Y479 HydrophobicContact CG-CG 4.18Å; M474-Y479 PolarHBondContact O-N 3.31Å; M474-Y479 HydrophobicContact SD-CD1 3.84Å; M474-Y479 HydrophobicContact SD-CE1 4.38Å; M474-R488 HydrophobicContact CE-CG 4.37Å; M474-L491 HydrophobicContact CE-CB 4.5Å; M474-L491 HydrophobicContact CE-CD2 4.05Å; M474-L491 HydrophobicContact CE-CG 4.39Å; M474-L491 HydrophobicContact SD-CB 4.13Å; M474-L491 HydrophobicContact SD-CD2 3.88Å; M474-L491 HydrophobicContact SD-CG 3.72Å; M474-A492 HydrophobicContact CB-CB 4.47Å; M474-A492 HydrophobicContact CE-CB 4.03Å; M474-A492 WeakPolarHBondContact SD-CA 3.49Å; M474-A492 HydrophobicContact SD-CB 3.96Å; M474-A492 PolarHBondContact SD-N 3.14Å; M474-W495 HydrophobicContact CB-CB 4.45Å; M474-W495 HydrophobicContact CB-CD2 3.54Å; M474-W495 HydrophobicContact CB-CE3 3.47Å; M474-W495 VanDerWaalsContact CB-CE3 3.47Å; M474-W495 HydrophobicContact CB-CG 3.96Å; M474-W495 HydrophobicContact CB-CZ3 4.02Å; M474-W495 HydrophobicContact CG-CB 3.92Å; M474-W495 HydrophobicContact CG-CD2 3.76Å; M474-W495 HydrophobicContact CG-CE3 4.16Å; M474-W495 HydrophobicContact CG-CG 3.6Å; M474-W495 VanDerWaalsContact N-CZ3 3.27Å; M474-W495 HydrophobicContact SD-CB 3.96Å; M474-W495 HydrophobicContact SD-CG 4.31Å
475	I	71	Confident	70.8	Confident	38 Å²	38	64.1 Å²	64.1	20%	0.195	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-41.3	178.5	-65.3	158	0	0	0	110.2	M280 E471 S473 S477 G478	M280-I475 HydrophobicContact CE-CB 4.48Å; M280-I475 HydrophobicContact CE-CG2 3.23Å; M280-I475 WeakPolarHBondContact CE-O 3.09Å; M280-I475 HydrophobicContact SD-CG2 3.68Å; E471-I475 HydrophobicContact CB-CD1 4.48Å; E471-I475 WeakPolarHBondContact O-CB 3.48Å; E471-I475 WeakPolarHBondContact O-CD1 3.42Å; E471-I475 WeakPolarHBondContact O-CG1 3.2Å; E471-I475 PolarHBondContact O-N 2.05Å; S473-I475 VanDerWaalsContact C-N 3.32Å; S473-I475 PolarHBondContact O-N 2.94Å; I475-S477 VanDerWaalsContact C-N 3.29Å; I475-S477 PolarHBondContact O-N 2.84Å; I475-G478 PolarHBondContact O-N 3.43Å; I475-G478 VanDerWaalsContact O-N 3.17Å
476	A	70.1	Confident	70	Confident	74 Å²	74	64.1 Å²	64.1	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-27.4	178.1	0	0	0	0	0	113.4	S472 S473 G478	S472-A476 VanDerWaalsContact O-CB 3.23Å; S472-A476 WeakPolarHBondContact O-CB 2.84Å; S472-A476 PolarHBondContact O-N 3.46Å; S473-A476 PolarHBondContact O-N 3.44Å; A476-G478 PolarHBondContact O-N 3.04Å
477	S	76.2	Confident	69.2	Low	67 Å²	67	66.4 Å²	66.4	47%	0.469	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.2	175	71.5	0	0	0	0	113.7	S473 M474 I475 Y479 W495	S473-S477 PolarHBondContact O-N 3.15Å; M474-S477 PolarHBondContact O-N 2.96Å; M474-S477 PolarHBondContact O-OG 3.01Å; I475-S477 VanDerWaalsContact C-N 3.29Å; I475-S477 PolarHBondContact O-N 2.84Å; S477-Y479 VanDerWaalsContact C-N 3.33Å; S477-W495 VanDerWaalsContact OG-CE2 3.31Å; S477-W495 VanDerWaalsContact OG-CZ2 3.27Å; S477-W495 WeakPolarHBondContact OG-CZ2 3.37Å; S477-W495 PolarHBondContact OG-NE1 3.23Å; S477-W495 VanDerWaalsContact OG-NE1 3.13Å
478	G	68	Low	68.5	Low	49 Å²	49	71.8 Å²	71.8	51%	0.505	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	22.3	-177.6	0	0	0	0	0	114	I475 A476 N480	I475-G478 PolarHBondContact O-N 3.43Å; I475-G478 VanDerWaalsContact O-N 3.17Å; A476-G478 PolarHBondContact O-N 3.04Å; G478-N480 PolarHBondContact O-N 2.88Å
479	Y	67.2	Low	68.5	Low	51 Å²	51	74.6 Å²	74.6	20%	0.2	41%	0.405	C	S	.	.			trans	-70	117.3	178.9	-173.1	-103.5	0	0	0	110.1	M474 S477 E481 L491 W495	M474-Y479 HydrophobicContact CG-CD1 3.76Å; M474-Y479 HydrophobicContact CG-CG 4.18Å; M474-Y479 PolarHBondContact O-N 3.31Å; M474-Y479 HydrophobicContact SD-CD1 3.84Å; M474-Y479 HydrophobicContact SD-CE1 4.38Å; S477-Y479 VanDerWaalsContact C-N 3.33Å; Y479-E481 HydrophobicContact CD1-CB 4.44Å; Y479-E481 HydrophobicContact CE1-CB 3.74Å; Y479-E481 HydrophobicContact CE2-CB 4.15Å; Y479-E481 VanDerWaalsContact CZ-OE2 3.27Å; Y479-E481 PolarHBondContact OH-OE2 2.82Å; Y479-L491 HydrophobicContact CD1-CD2 4.39Å; Y479-L491 HydrophobicContact CD1-CG 4.36Å; Y479-L491 HydrophobicContact CE1-CD1 3.76Å; Y479-L491 HydrophobicContact CE1-CD2 4.19Å; Y479-L491 HydrophobicContact CE1-CG 3.84Å; Y479-W495 HydrophobicContact CD1-CB 4.22Å; Y479-W495 AromaticContact CD1-CD1 3.84Å; Y479-W495 HydrophobicContact CD1-CG 4.22Å; Y479-W495 AromaticContact CD2-CD1 3.5Å; Y479-W495 VanDerWaalsContact CD2-CD1 3.5Å; Y479-W495 HydrophobicContact CE1-CB 4.14Å; Y479-W495 AromaticContact CG-CD1 3.4Å; Y479-W495 HydrophobicContact CG-CG 4.19Å
480	N	58.1	Low	68.4	Low	102 Å²	102	74.8 Å²	74.8	55%	0.545	41%	0.405	S	S	.	.			trans	-116.6	16	-169.2	-84.6	-12.2	0	0	0	113.5	G478 L482	G478-N480 PolarHBondContact O-N 2.88Å; N480-L482 PolarHBondContact O-N 3.06Å
481	E	58.7	Low	68.3	Low	116 Å²	116	76 Å²	76	54%	0.542	41%	0.411	S	S	.	.			trans	-72.3	99.5	-178.1	-153.2	168.2	178.8	0	0	110.5	Y479 A483 L491	Y479-E481 HydrophobicContact CD1-CB 4.44Å; Y479-E481 HydrophobicContact CE1-CB 3.74Å; Y479-E481 HydrophobicContact CE2-CB 4.15Å; Y479-E481 VanDerWaalsContact CZ-OE2 3.27Å; Y479-E481 PolarHBondContact OH-OE2 2.82Å; E481-A483 VanDerWaalsContact C-N 3.33Å; E481-A483 PolarHBondContact O-N 2.84Å; E481-A483 VanDerWaalsContact O-N 3.15Å; E481-L491 VanDerWaalsContact O-CD2 3.3Å; E481-L491 WeakPolarHBondContact O-CD2 3.44Å
482	L	54.1	Low	68.7	Low	163 Å²	163	74 Å²	74	85%	0.853	40%	0.402	S	S	*	.			trans	-80.5	80.3	172.1	-83.2	140.2	0	0	0	108.7	N480 E484	N480-L482 PolarHBondContact O-N 3.06Å; L482-E484 PolarHBondContact O-N 3.41Å
483	A	54.3	Low	69.5	Low	43 Å²	43	72.3 Å²	72.3	36%	0.355	39%	0.39	S	S	.	.			trans	-73	101	160.8	0	0	0	0	0	107.4	E481 E485 M486	E481-A483 VanDerWaalsContact C-N 3.33Å; E481-A483 PolarHBondContact O-N 2.84Å; E481-A483 VanDerWaalsContact O-N 3.15Å; A483-E485 PolarHBondContact O-N 3.48Å; A483-M486 HydrophobicContact CB-CB 4.07Å; A483-M486 HydrophobicContact CB-CG 3.92Å; A483-M486 HydrophobicContact CB-SD 4.26Å; A483-M486 PolarHBondContact O-N 2.01Å
484	E	53.7	Low	70.1	Confident	196 Å²	196	74 Å²	74	92%	0.916	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.4	-175.7	-70.9	-176.5	159.4	0	0	113.7	L482	L482-E484 PolarHBondContact O-N 3.41Å
485	E	61.4	Low	70.6	Confident	196 Å²	196	74.5 Å²	74.5	92%	0.916	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-1.8	-177.6	-58.3	-166.4	152.5	0	0	114.7	A483	A483-E485 PolarHBondContact O-N 3.48Å
486	M	65.8	Low	71.6	Confident	64 Å²	64	73.8 Å²	73.8	32%	0.315	39%	0.386	S	S	.	.	S	Bend	trans	-114.2	138.8	-172.1	-66.4	-159.1	70.3	0	0	113.4	A483 D490 R494	A483-M486 HydrophobicContact CB-CB 4.07Å; A483-M486 HydrophobicContact CB-CG 3.92Å; A483-M486 HydrophobicContact CB-SD 4.26Å; A483-M486 PolarHBondContact O-N 2.01Å; M486-D490 HydrophobicContact CE-CB 3.54Å; M486-R494 VanDerWaalsContact CE-CD 3.46Å
487	S	68	Low	72.7	Confident	48 Å²	48	70.5 Å²	70.5	34%	0.336	36%	0.358	S	S	.	.			trans	-67.3	147.1	173.4	88.3	0	0	0	0	110.4	R489 D490 L491	S487-R489 PolarHBondContact O-N 3.01Å; S487-D490 VanDerWaalsContact CB-OD2 3.23Å; S487-D490 WeakPolarHBondContact CB-OD2 3.47Å; S487-D490 PolarHBondContact N-OD2 3.48Å; S487-D490 WeakPolarHBondContact O-CB 3.01Å; S487-D490 PolarHBondContact O-N 2.92Å; S487-D490 PolarHBondContact OG-N 3.4Å; S487-D490 PolarHBondContact OG-OD1 3.5Å; S487-D490 PolarHBondContact OG-OD2 3.08Å; S487-L491 PolarHBondContact O-N 3.29Å
488	R	68.2	Low	73.4	Confident	123 Å²	123	72.2 Å²	72.2	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-52.5	-30.2	176.2	-180	-179.3	166.4	128.2	-14.5	113.2	E471 M474 A492	E471-R488 IonicContact OE2-CZ 3.83Å; E471-R488 IonicContact OE2-NE 3.5Å; E471-R488 PolarHBondContact OE2-NE 3.34Å; E471-R488 IonicContact OE2-NH2 3.42Å; M474-R488 HydrophobicContact CE-CG 4.37Å; R488-A492 WeakPolarHBondContact O-CB 3.2Å; R488-A492 PolarHBondContact O-N 3.11Å
489	R	71.7	Confident	74.5	Confident	74 Å²	74	73.7 Å²	73.7	28%	0.279	36%	0.355	S	S	.	.	H	α-helix	trans	-71.7	-46.9	175.7	-69	-176.9	-147.5	113.1	7.3	111.2	F467 E471 S487 L491 A492 V493 C560 C570	F467-R489 HydrophobicContact CD1-CB 4.46Å; E471-R489 VanDerWaalsContact OE1-CG 3.29Å; E471-R489 WeakPolarHBondContact OE1-CG 3.22Å; S487-R489 PolarHBondContact O-N 3.01Å; R489-L491 PolarHBondContact O-N 3.35Å; R489-A492 PolarHBondContact O-N 3.47Å; R489-A492 VanDerWaalsContact O-N 3.11Å; R489-V493 WeakPolarHBondContact O-CG2 3.42Å; R489-V493 PolarHBondContact O-N 3.2Å; R489-C560 PolarHBondContact NH1-SG 2.9Å; R489-C560 PolarHBondContact NH2-SG 3.19Å; R489-C560 VanDerWaalsContact NH2-SG 3.36Å; R489-C570 PolarHBondContact NH2-SG 3.16Å
490	D	79	Confident	75.7	Confident	32 Å²	32	71.7 Å²	71.7	17%	0.171	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-41	177.7	-53.7	-34.9	0	0	0	110.2	M486 S487 V493 R494 I555	M486-D490 HydrophobicContact CE-CB 3.54Å; S487-D490 VanDerWaalsContact CB-OD2 3.23Å; S487-D490 WeakPolarHBondContact CB-OD2 3.47Å; S487-D490 PolarHBondContact N-OD2 3.48Å; S487-D490 WeakPolarHBondContact O-CB 3.01Å; S487-D490 PolarHBondContact O-N 2.92Å; S487-D490 PolarHBondContact OG-N 3.4Å; S487-D490 PolarHBondContact OG-OD1 3.5Å; S487-D490 PolarHBondContact OG-OD2 3.08Å; D490-V493 PolarHBondContact O-N 3.26Å; D490-R494 WeakPolarHBondContact O-CB 3.47Å; D490-R494 WeakPolarHBondContact O-CG 3.23Å; D490-R494 PolarHBondContact O-N 3.44Å; D490-I555 HydrophobicContact CB-CD1 4.21Å; D490-I555 WeakPolarHBondContact OD1-CG2 3.49Å
491	L	82.6	Confident	77.4	Confident	27 Å²	27	67.5 Å²	67.5	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-59.4	-48.1	173.4	-165.8	70.3	0	0	0	111.4	M474 Y479 E481 S487 R489 V493 R494 W495	M474-L491 HydrophobicContact CE-CB 4.5Å; M474-L491 HydrophobicContact CE-CD2 4.05Å; M474-L491 HydrophobicContact CE-CG 4.39Å; M474-L491 HydrophobicContact SD-CB 4.13Å; M474-L491 HydrophobicContact SD-CD2 3.88Å; M474-L491 HydrophobicContact SD-CG 3.72Å; Y479-L491 HydrophobicContact CD1-CD2 4.39Å; Y479-L491 HydrophobicContact CD1-CG 4.36Å; Y479-L491 HydrophobicContact CE1-CD1 3.76Å; Y479-L491 HydrophobicContact CE1-CD2 4.19Å; Y479-L491 HydrophobicContact CE1-CG 3.84Å; E481-L491 VanDerWaalsContact O-CD2 3.3Å; E481-L491 WeakPolarHBondContact O-CD2 3.44Å; S487-L491 PolarHBondContact O-N 3.29Å; R489-L491 PolarHBondContact O-N 3.35Å; L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 PolarHBondContact O-N 3.29Å; L491-R494 PolarHBondContact O-N 3.25Å; L491-W495 WeakPolarHBondContact O-CB 3.44Å; L491-W495 PolarHBondContact O-N 3.49Å
492	A	84	Confident	78.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-35.4	179.1	0	0	0	0	0	113.4	L470 E471 M474 R488 R489 K496	L470-A492 HydrophobicContact CB-CB 4.1Å; E471-A492 HydrophobicContact CB-CB 4.37Å; E471-A492 HydrophobicContact CG-CB 3.84Å; M474-A492 HydrophobicContact CB-CB 4.47Å; M474-A492 HydrophobicContact CE-CB 4.03Å; M474-A492 WeakPolarHBondContact SD-CA 3.49Å; M474-A492 HydrophobicContact SD-CB 3.96Å; M474-A492 PolarHBondContact SD-N 3.14Å; R488-A492 WeakPolarHBondContact O-CB 3.2Å; R488-A492 PolarHBondContact O-N 3.11Å; R489-A492 PolarHBondContact O-N 3.47Å; R489-A492 VanDerWaalsContact O-N 3.11Å; A492-K496 WeakPolarHBondContact O-CB 3.44Å; A492-K496 PolarHBondContact O-N 3.09Å
493	V	89.1	Confident	80.6	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-47.6	175.7	170.6	0	0	0	0	110.9	F467 L470 R489 D490 L491 K496 F497 W550 L551 T554 I555	F467-V493 HydrophobicContact CD1-CG2 4.22Å; F467-V493 HydrophobicContact CE1-CG2 3.58Å; L470-V493 HydrophobicContact CD1-CG2 3.87Å; R489-V493 WeakPolarHBondContact O-CG2 3.42Å; R489-V493 PolarHBondContact O-N 3.2Å; D490-V493 PolarHBondContact O-N 3.26Å; L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 PolarHBondContact O-N 3.29Å; V493-K496 PolarHBondContact O-N 2.92Å; V493-F497 PolarHBondContact O-N 2.76Å; V493-F497 VanDerWaalsContact O-N 3.09Å; V493-W550 VanDerWaalsContact CG1-NE1 3.27Å; V493-W550 PolarHBondContact O-NE1 2.9Å; V493-L551 HydrophobicContact CG1-CD2 3.7Å; V493-T554 HydrophobicContact CG1-CG2 4.41Å; V493-T554 WeakPolarHBondContact CG1-OG1 3.44Å; V493-I555 HydrophobicContact CB-CG1 4.35Å; V493-I555 HydrophobicContact CG1-CD1 4.3Å; V493-I555 HydrophobicContact CG1-CG1 4.12Å; V493-I555 HydrophobicContact CG2-CG1 4.24Å
494	R	89.9	Confident	82.2	Confident	82 Å²	82	71.6 Å²	71.6	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-47.2	178	-74.6	-177.4	-177.2	-93.6	9.1	112	M486 D490 L491 K496 F497 Q498 E547 L551	M486-R494 VanDerWaalsContact CE-CD 3.46Å; D490-R494 WeakPolarHBondContact O-CB 3.47Å; D490-R494 WeakPolarHBondContact O-CG 3.23Å; D490-R494 PolarHBondContact O-N 3.44Å; L491-R494 PolarHBondContact O-N 3.25Å; R494-K496 PolarHBondContact O-N 2.82Å; R494-F497 VanDerWaalsContact O-CB 3.31Å; R494-F497 WeakPolarHBondContact O-CB 3.41Å; R494-F497 PolarHBondContact O-N 3.29Å; R494-Q498 PolarHBondContact O-N 3.21Å; R494-E547 IonicContact NH1-OE1 3.04Å; R494-E547 PolarHBondContact NH1-OE1 3.18Å; R494-L551 HydrophobicContact CG-CD2 3.66Å
495	W	90.9	Very high	84	Confident	19 Å²	19	65 Å²	65	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-53.2	-44.3	173.5	168.3	80	0	0	0	110.8	S473 M474 S477 Y479 L491 F497 Q498 D499	S473-W495 VanDerWaalsContact CB-CH2 3.44Å; S473-W495 WeakPolarHBondContact O-CH2 3.42Å; M474-W495 HydrophobicContact CB-CB 4.45Å; M474-W495 HydrophobicContact CB-CD2 3.54Å; M474-W495 HydrophobicContact CB-CE3 3.47Å; M474-W495 VanDerWaalsContact CB-CE3 3.47Å; M474-W495 HydrophobicContact CB-CG 3.96Å; M474-W495 HydrophobicContact CB-CZ3 4.02Å; M474-W495 HydrophobicContact CG-CB 3.92Å; M474-W495 HydrophobicContact CG-CD2 3.76Å; M474-W495 HydrophobicContact CG-CE3 4.16Å; M474-W495 HydrophobicContact CG-CG 3.6Å; M474-W495 VanDerWaalsContact N-CZ3 3.27Å; M474-W495 HydrophobicContact SD-CB 3.96Å; M474-W495 HydrophobicContact SD-CG 4.31Å; S477-W495 VanDerWaalsContact OG-CE2 3.31Å; S477-W495 VanDerWaalsContact OG-CZ2 3.27Å; S477-W495 WeakPolarHBondContact OG-CZ2 3.37Å; S477-W495 PolarHBondContact OG-NE1 3.23Å; S477-W495 VanDerWaalsContact OG-NE1 3.13Å; Y479-W495 HydrophobicContact CD1-CB 4.22Å; Y479-W495 AromaticContact CD1-CD1 3.84Å; Y479-W495 HydrophobicContact CD1-CG 4.22Å; Y479-W495 AromaticContact CD2-CD1 3.5Å; Y479-W495 VanDerWaalsContact CD2-CD1 3.5Å; Y479-W495 HydrophobicContact CE1-CB 4.14Å; Y479-W495 AromaticContact CG-CD1 3.4Å; Y479-W495 HydrophobicContact CG-CG 4.19Å; L491-W495 WeakPolarHBondContact O-CB 3.44Å; L491-W495 PolarHBondContact O-N 3.49Å; W495-F497 VanDerWaalsContact C-N 3.32Å; W495-F497 PolarHBondContact O-N 2.01Å; W495-Q498 PolarHBondContact O-N 3.41Å; W495-D499 HydrophobicContact CH2-CB 4.41Å; W495-D499 HydrophobicContact CZ2-CB 4.18Å; W495-D499 WeakPolarHBondContact O-CB 2.9Å; W495-D499 PolarHBondContact O-N 3.35Å
496	K	92.4	Very high	85.4	Confident	23 Å²	23	62.7 Å²	62.7	10%	0.1	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-35	180	-170.7	69.8	-172.1	160.4	0	112.9	L470 A492 V493 R494 Q498 D499 M500 Y516 W550	L470-K496 HydrophobicContact CD2-CB 3.6Å; L470-K496 HydrophobicContact CD2-CD 3.83Å; L470-K496 HydrophobicContact CD2-CG 3.36Å; A492-K496 WeakPolarHBondContact O-CB 3.44Å; A492-K496 PolarHBondContact O-N 3.09Å; V493-K496 PolarHBondContact O-N 2.92Å; R494-K496 PolarHBondContact O-N 2.82Å; K496-Q498 VanDerWaalsContact C-N 3.34Å; K496-D499 IonicContact NZ-OD2 2.68Å; K496-D499 PolarHBondContact NZ-OD2 3.32Å; K496-D499 PolarHBondContact O-N 3.2Å; K496-M500 HydrophobicContact CG-CE 4.14Å; K496-M500 WeakPolarHBondContact O-CG 3.29Å; K496-M500 PolarHBondContact O-N 3.37Å; K496-M500 VanDerWaalsContact O-N 3.1Å; K496-Y516 HydrophobicContact CD-CE2 4.49Å; K496-W550 HydrophobicContact CB-CZ2 4.41Å; K496-W550 HydrophobicContact CG-CZ2 4.32Å
497	F	93	Very high	86.7	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-49.9	172.9	-172.8	-88.8	0	0	0	110.3	V493 R494 W495 D499 M500 D501 K506 L508 E547 W550	V493-F497 PolarHBondContact O-N 2.76Å; V493-F497 VanDerWaalsContact O-N 3.09Å; R494-F497 VanDerWaalsContact O-CB 3.31Å; R494-F497 WeakPolarHBondContact O-CB 3.41Å; R494-F497 PolarHBondContact O-N 3.29Å; W495-F497 VanDerWaalsContact C-N 3.32Å; W495-F497 PolarHBondContact O-N 2.01Å; F497-D499 PolarHBondContact O-N 3.45Å; F497-M500 PolarHBondContact O-N 3.26Å; F497-M500 VanDerWaalsContact O-N 3.13Å; F497-D501 HydrophobicContact CE1-CB 4.43Å; F497-D501 WeakPolarHBondContact O-CB 3.32Å; F497-D501 PolarHBondContact O-N 3.25Å; F497-K506 WeakPolarHBondContact CZ-O 3.42Å; F497-L508 HydrophobicContact CD2-CD1 3.63Å; F497-L508 HydrophobicContact CD2-CD2 4.48Å; F497-L508 HydrophobicContact CD2-CG 3.91Å; F497-L508 HydrophobicContact CE2-CD1 3.65Å; F497-L508 HydrophobicContact CE2-CD2 4.34Å; F497-L508 HydrophobicContact CE2-CG 3.52Å; F497-L508 HydrophobicContact CZ-CD2 4.49Å; F497-L508 HydrophobicContact CZ-CG 3.96Å; F497-E547 HydrophobicContact CD1-CB 4.4Å; F497-E547 HydrophobicContact CD1-CG 4.24Å; F497-E547 HydrophobicContact CE1-CB 3.92Å; F497-E547 HydrophobicContact CE1-CG 4.25Å; F497-E547 VanDerWaalsContact CE2-CA 3.46Å; F497-E547 HydrophobicContact CE2-CB 4.19Å; F497-E547 HydrophobicContact CG-CG 4.48Å; F497-E547 VanDerWaalsContact CZ-CA 3.5Å; F497-E547 HydrophobicContact CZ-CB 3.8Å; F497-E547 HydrophobicContact CZ-CG 4.47Å; F497-W550 HydrophobicContact CB-CG 4.43Å; F497-W550 HydrophobicContact CD2-CB 3.6Å; F497-W550 AromaticContact CD2-CD1 3.55Å; F497-W550 HydrophobicContact CD2-CD2 4.38Å; F497-W550 AromaticContact CD2-CG 3.56Å; F497-W550 HydrophobicContact CD2-CG 3.56Å; F497-W550 HydrophobicContact CE2-CB 3.9Å; F497-W550 HydrophobicContact CE2-CG 4.34Å; F497-W550 HydrophobicContact CG-CG 4.44Å
498	Q	91.6	Very high	87.8	Confident	103 Å²	103	62.5 Å²	62.5	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-38.6	178.2	-64.8	175.1	-2.7	0	0	112.9	R494 W495 K496 M500 D501	R494-Q498 PolarHBondContact O-N 3.21Å; W495-Q498 PolarHBondContact O-N 3.41Å; K496-Q498 VanDerWaalsContact C-N 3.34Å; Q498-M500 VanDerWaalsContact C-N 3.27Å; Q498-M500 PolarHBondContact O-N 3.28Å; Q498-D501 PolarHBondContact O-N 2.98Å
499	D	91.2	Very high	88.9	Confident	80 Å²	80	60.3 Å²	60.3	43%	0.428	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-31.5	175.3	174.7	71.8	0	0	0	112.5	W495 K496 F497	W495-D499 HydrophobicContact CH2-CB 4.41Å; W495-D499 HydrophobicContact CZ2-CB 4.18Å; W495-D499 WeakPolarHBondContact O-CB 2.9Å; W495-D499 PolarHBondContact O-N 3.35Å; K496-D499 IonicContact NZ-OD2 2.68Å; K496-D499 PolarHBondContact NZ-OD2 3.32Å; K496-D499 PolarHBondContact O-N 3.2Å; F497-D499 PolarHBondContact O-N 3.45Å
500	M	92.2	Very high	89.8	Confident	9 Å²	9	63.1 Å²	63.1	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-84.9	-32.1	177	-69	-171.7	-65.5	0	0	113.3	K496 F497 Q498 K502 L508 E512 Y516 W550	K496-M500 HydrophobicContact CG-CE 4.14Å; K496-M500 WeakPolarHBondContact O-CG 3.29Å; K496-M500 PolarHBondContact O-N 3.37Å; K496-M500 VanDerWaalsContact O-N 3.1Å; F497-M500 PolarHBondContact O-N 3.26Å; F497-M500 VanDerWaalsContact O-N 3.13Å; Q498-M500 VanDerWaalsContact C-N 3.27Å; Q498-M500 PolarHBondContact O-N 3.28Å; M500-K502 PolarHBondContact O-N 3.28Å; M500-L508 HydrophobicContact CB-CD1 4.41Å; M500-L508 HydrophobicContact CB-CD2 3.55Å; M500-L508 HydrophobicContact CE-CD1 3.48Å; M500-L508 VanDerWaalsContact CE-CD1 3.48Å; M500-L508 HydrophobicContact SD-CD1 4.45Å; M500-E512 WeakPolarHBondContact O-CB 3.39Å; M500-Y516 HydrophobicContact CE-CD1 4.23Å; M500-Y516 WeakPolarHBondContact SD-CB 3Å; M500-Y516 HydrophobicContact SD-CD1 3.34Å; M500-Y516 WeakPolarHBondContact SD-CD1 3.09Å; M500-Y516 HydrophobicContact SD-CD2 4.43Å; M500-Y516 HydrophobicContact SD-CE1 4.15Å; M500-Y516 HydrophobicContact SD-CG 3.51Å; M500-Y516 VanDerWaalsContact SD-CG 3.51Å; M500-W550 HydrophobicContact CE-CE3 4.47Å; M500-W550 HydrophobicContact CE-CH2 3.93Å; M500-W550 HydrophobicContact CE-CZ2 3.97Å; M500-W550 HydrophobicContact CE-CZ3 4.19Å
501	D	93	Very high	90.2	Very high	15 Å²	15	69.4 Å²	69.4	8%	0.08	31%	0.31	C	S	.	.			trans	-74.7	80.8	179.4	-178.1	8.7	0	0	0	110.7	F497 Q498 N503 K504 N505 K506 L508	F497-D501 HydrophobicContact CE1-CB 4.43Å; F497-D501 WeakPolarHBondContact O-CB 3.32Å; F497-D501 PolarHBondContact O-N 3.25Å; Q498-D501 PolarHBondContact O-N 2.98Å; D501-N503 PolarHBondContact OD1-OD1 2.98Å; D501-K504 PolarHBondContact O-N 3.48Å; D501-K504 WeakPolarHBondContact OD1-CA 2.97Å; D501-K504 PolarHBondContact OD1-N 3.41Å; D501-K504 WeakPolarHBondContact OD2-CA 3.41Å; D501-N505 PolarHBondContact OD1-N 2.98Å; D501-N505 PolarHBondContact OD1-OD1 2.97Å; D501-N505 PolarHBondContact OD2-N 3.23Å; D501-K506 WeakPolarHBondContact OD2-CA 3.37Å; D501-K506 PolarHBondContact OD2-N 3.23Å; D501-L508 HydrophobicContact CB-CD2 3.94Å
502	K	90	Very high	90.6	Very high	149 Å²	149	68.9 Å²	68.9	65%	0.648	31%	0.308	S	S	*	.	S	Bend	trans	-73.6	-33	-173.1	-70.3	-174.1	176.9	-171.6	0	112.1	M500 K504 E512	M500-K502 PolarHBondContact O-N 3.28Å; K502-K504 VanDerWaalsContact C-N 3.33Å; K502-E512 PolarHBondContact N-OE1 3.49Å
503	N	89.7	Confident	90.8	Very high	78 Å²	78	69.1 Å²	69.1	42%	0.417	31%	0.308	S	S	.	.	S	Bend	trans	-88.7	-2.8	178.6	66.3	10.1	0	0	0	112.6	D501 N505 E509 E512	D501-N503 PolarHBondContact OD1-OD1 2.98Å; N503-N505 PolarHBondContact ND2-ND2 3.46Å; N503-N505 VanDerWaalsContact ND2-ND2 3.11Å; N503-N505 PolarHBondContact O-N 3.32Å; N503-N505 WeakPolarHBondContact OD1-CB 3.26Å; N503-N505 PolarHBondContact OD1-N 3Å; N503-N505 PolarHBondContact OD1-ND2 3.43Å; N503-N505 PolarHBondContact OD1-OD1 3.04Å; N503-E509 PolarHBondContact ND2-OE1 3.42Å; N503-E512 PolarHBondContact N-OE1 3.24Å; N503-E512 PolarHBondContact OD1-OE1 3.49Å
504	K	89.1	Confident	90.8	Very high	181 Å²	181	76 Å²	76	79%	0.787	34%	0.338	S	S	*	.			trans	58.8	30.8	177.1	-57.4	-177.6	178.9	-178.8	0	113.1	D501 K502 K506	D501-K504 PolarHBondContact O-N 3.48Å; D501-K504 WeakPolarHBondContact OD1-CA 2.97Å; D501-K504 PolarHBondContact OD1-N 3.41Å; D501-K504 WeakPolarHBondContact OD2-CA 3.41Å; K502-K504 VanDerWaalsContact C-N 3.33Å; K504-K506 VanDerWaalsContact C-N 3.27Å
505	N	91.2	Very high	90.7	Very high	58 Å²	58	79.6 Å²	79.6	31%	0.31	35%	0.353	S	S	.	.	S	Bend	trans	-87.1	3.9	-179	72.3	-0.7	0	0	0	112.6	D501 N503 K507 E509	D501-N505 PolarHBondContact OD1-N 2.98Å; D501-N505 PolarHBondContact OD1-OD1 2.97Å; D501-N505 PolarHBondContact OD2-N 3.23Å; N503-N505 PolarHBondContact ND2-ND2 3.46Å; N503-N505 VanDerWaalsContact ND2-ND2 3.11Å; N503-N505 PolarHBondContact O-N 3.32Å; N503-N505 WeakPolarHBondContact OD1-CB 3.26Å; N503-N505 PolarHBondContact OD1-N 3Å; N503-N505 PolarHBondContact OD1-ND2 3.43Å; N503-N505 PolarHBondContact OD1-OD1 3.04Å; N505-K507 PolarHBondContact ND2-O 3.48Å; N505-K507 PolarHBondContact O-N 3.32Å; N505-K507 WeakPolarHBondContact OD1-CA 3.47Å; N505-K507 WeakPolarHBondContact OD1-CB 3.38Å; N505-K507 PolarHBondContact OD1-N 3.14Å; N505-K507 PolarHBondContact OD1-O 3.38Å; N505-E509 PolarHBondContact ND2-OE1 3.35Å; N505-E509 VanDerWaalsContact ND2-OE1 3.15Å
506	K	90.6	Very high	90.7	Very high	147 Å²	147	79.5 Å²	79.5	64%	0.639	35%	0.353	S	S	*	.	S	Bend	trans	61.9	23	-175.2	-55.3	-176	179	-176.9	0	114.2	F497 D501 K504	F497-K506 WeakPolarHBondContact CZ-O 3.42Å; D501-K506 WeakPolarHBondContact OD2-CA 3.37Å; D501-K506 PolarHBondContact OD2-N 3.23Å; K504-K506 VanDerWaalsContact C-N 3.27Å
507	K	93.1	Very high	90.6	Very high	108 Å²	108	81 Å²	81	47%	0.47	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	120.7	-175.4	-66.6	-175.4	-177.5	-175.3	0	110.7	N505 E509 V544	N505-K507 PolarHBondContact ND2-O 3.48Å; N505-K507 PolarHBondContact O-N 3.32Å; N505-K507 WeakPolarHBondContact OD1-CA 3.47Å; N505-K507 WeakPolarHBondContact OD1-CB 3.38Å; N505-K507 PolarHBondContact OD1-N 3.14Å; N505-K507 PolarHBondContact OD1-O 3.38Å; K507-E509 PolarHBondContact O-N 3.08Å; K507-E509 VanDerWaalsContact O-N 3.11Å; K507-V544 HydrophobicContact CB-CG1 3.67Å; K507-V544 HydrophobicContact CD-CG1 4.03Å; K507-V544 HydrophobicContact CG-CG1 4.23Å
508	L	92.3	Very high	90.4	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	103.9	179.8	-58.9	174.9	0	0	0	111.1	F497 M500 D501 I545	F497-L508 HydrophobicContact CD2-CD1 3.63Å; F497-L508 HydrophobicContact CD2-CD2 4.48Å; F497-L508 HydrophobicContact CD2-CG 3.91Å; F497-L508 HydrophobicContact CE2-CD1 3.65Å; F497-L508 HydrophobicContact CE2-CD2 4.34Å; F497-L508 HydrophobicContact CE2-CG 3.52Å; F497-L508 HydrophobicContact CZ-CD2 4.49Å; F497-L508 HydrophobicContact CZ-CG 3.96Å; M500-L508 HydrophobicContact CB-CD1 4.41Å; M500-L508 HydrophobicContact CB-CD2 3.55Å; M500-L508 HydrophobicContact CE-CD1 3.48Å; M500-L508 VanDerWaalsContact CE-CD1 3.48Å; M500-L508 HydrophobicContact SD-CD1 4.45Å; D501-L508 HydrophobicContact CB-CD2 3.94Å; L508-I545 HydrophobicContact CB-CB 4.2Å; L508-I545 PolarHBondContact N-O 3.39Å; L508-I545 PolarHBondContact O-N 3.34Å
509	E	91.3	Very high	90.3	Very high	77 Å²	77	81.5 Å²	81.5	36%	0.36	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	157.4	174.5	-66.4	178.6	-163.2	0	0	111.2	N503 N505 K507 K511 E512 W513	N503-E509 PolarHBondContact ND2-OE1 3.42Å; N505-E509 PolarHBondContact ND2-OE1 3.35Å; N505-E509 VanDerWaalsContact ND2-OE1 3.15Å; K507-E509 PolarHBondContact O-N 3.08Å; K507-E509 VanDerWaalsContact O-N 3.11Å; E509-K511 PolarHBondContact O-N 3.15Å; E509-E512 PolarHBondContact N-OE2 2.96Å; E509-E512 WeakPolarHBondContact O-CB 3.25Å; E509-E512 PolarHBondContact O-N 3.26Å; E509-W513 VanDerWaalsContact C-CD1 3.44Å; E509-W513 PolarHBondContact O-N 3.39Å
510	R	89.2	Confident	90.3	Very high	132 Å²	132	77.7 Å²	77.7	50%	0.498	35%	0.353	S	S	.	.	H	α-helix	trans	-47.9	-34.5	178.7	-167.4	179.5	179.4	97.7	-14.1	114.6	W513 K514	R510-W513 VanDerWaalsContact CA-NE1 3.33Å; R510-W513 HydrophobicContact CG-CZ2 4.13Å; R510-K514 VanDerWaalsContact O-CB 3.23Å; R510-K514 WeakPolarHBondContact O-CB 3.2Å; R510-K514 PolarHBondContact O-N 3.18Å
511	K	87.4	Confident	90.1	Very high	164 Å²	164	82.2 Å²	82.2	71%	0.713	37%	0.373	S	S	*	.	H	α-helix	trans	-70.2	-34.3	179.8	-68.8	178.4	-177.4	170.7	0	112.2	E509 Y515	E509-K511 PolarHBondContact O-N 3.15Å; K511-Y515 WeakPolarHBondContact O-CD2 3.24Å; K511-Y515 WeakPolarHBondContact O-CE2 3.37Å
512	E	90.6	Very high	89.9	Confident	17 Å²	17	88.7 Å²	88.7	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-78.1	-52.3	-174.7	-64.4	177.5	122.3	0	0	111	M500 K502 N503 E509 K514 Y515	M500-E512 WeakPolarHBondContact O-CB 3.39Å; K502-E512 PolarHBondContact N-OE1 3.49Å; N503-E512 PolarHBondContact N-OE1 3.24Å; N503-E512 PolarHBondContact OD1-OE1 3.49Å; E509-E512 PolarHBondContact N-OE2 2.96Å; E509-E512 WeakPolarHBondContact O-CB 3.25Å; E509-E512 PolarHBondContact O-N 3.26Å; E512-K514 VanDerWaalsContact C-N 3.26Å; E512-K514 PolarHBondContact O-N 3.32Å; E512-Y515 PolarHBondContact O-N 3.16Å
513	W	89.9	Confident	89.7	Confident	5 Å²	5	83.5 Å²	83.5	2%	0.019	38%	0.379	C	S	.	.	H	α-helix	trans	-76.2	-12.1	-178.6	68.7	-105.2	0	0	0	113.4	E509 R510 Y515 Y516 R517 L534 R535 I545	E509-W513 VanDerWaalsContact C-CD1 3.44Å; E509-W513 PolarHBondContact O-N 3.39Å; R510-W513 VanDerWaalsContact CA-NE1 3.33Å; R510-W513 HydrophobicContact CG-CZ2 4.13Å; W513-Y515 VanDerWaalsContact C-N 3.28Å; W513-Y515 PolarHBondContact O-N 3.14Å; W513-Y516 PolarHBondContact O-N 2.81Å; W513-R517 HydrophobicContact CE3-CB 4.11Å; W513-R517 HydrophobicContact CE3-CG 4.47Å; W513-R517 HydrophobicContact CZ3-CB 4.33Å; W513-R517 HydrophobicContact CZ3-CG 4.22Å; W513-R517 WeakPolarHBondContact O-CB 3.32Å; W513-R517 PolarHBondContact O-N 3.31Å; W513-L534 HydrophobicContact CB-CD1 4.14Å; W513-L534 HydrophobicContact CB-CD2 4.36Å; W513-L534 HydrophobicContact CD2-CB 4.19Å; W513-L534 HydrophobicContact CD2-CD1 4.38Å; W513-L534 HydrophobicContact CE3-CB 3.6Å; W513-L534 HydrophobicContact CE3-CD1 3.65Å; W513-L534 HydrophobicContact CE3-CG 4.18Å; W513-L534 HydrophobicContact CZ3-CB 3.81Å; W513-L534 HydrophobicContact CZ3-CD1 4.41Å; W513-R535 HydrophobicContact CH2-CG 4.03Å; W513-I545 HydrophobicContact CG-CD1 4.4Å
514	K	88.7	Confident	89.3	Confident	144 Å²	144	89.5 Å²	89.5	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-57.2	-39.8	173	179.1	-179.4	179.3	-172.8	0	112.1	R510 E512 A518	R510-K514 VanDerWaalsContact O-CB 3.23Å; R510-K514 WeakPolarHBondContact O-CB 3.2Å; R510-K514 PolarHBondContact O-N 3.18Å; E512-K514 VanDerWaalsContact C-N 3.26Å; E512-K514 PolarHBondContact O-N 3.32Å; K514-A518 PolarHBondContact O-N 3.03Å
515	Y	87.5	Confident	88.9	Confident	158 Å²	158	84 Å²	84	62%	0.62	40%	0.396	S	S	*	.	H	α-helix	trans	-66.2	-48.1	178.1	-66.4	-75.5	0	0	0	110.8	K511 E512 W513 R517 A518 V519	K511-Y515 WeakPolarHBondContact O-CD2 3.24Å; K511-Y515 WeakPolarHBondContact O-CE2 3.37Å; E512-Y515 PolarHBondContact O-N 3.16Å; W513-Y515 VanDerWaalsContact C-N 3.28Å; W513-Y515 PolarHBondContact O-N 3.14Å; Y515-R517 VanDerWaalsContact C-N 3.34Å; Y515-R517 PolarHBondContact O-N 3.21Å; Y515-A518 WeakPolarHBondContact O-CB 3.21Å; Y515-A518 PolarHBondContact O-N 3.02Å; Y515-V519 PolarHBondContact O-N 3.1Å
516	Y	90.9	Very high	88.7	Confident	17 Å²	17	81.8 Å²	81.8	7%	0.067	38%	0.384	C	S	.	.	H	α-helix	trans	-65.8	-37.7	179.4	-169.9	-126.7	0	0	0	112.4	L466 L470 K496 M500 W513 A518 V519 L520 L534 W550	L466-Y516 HydrophobicContact CD1-CE1 4.48Å; L466-Y516 VanDerWaalsContact CD1-OH 3.27Å; L466-Y516 WeakPolarHBondContact CD1-OH 3.39Å; L470-Y516 VanDerWaalsContact CD2-OH 3.28Å; L470-Y516 WeakPolarHBondContact CD2-OH 3.46Å; K496-Y516 HydrophobicContact CD-CE2 4.49Å; M500-Y516 HydrophobicContact CE-CD1 4.23Å; M500-Y516 WeakPolarHBondContact SD-CB 3Å; M500-Y516 HydrophobicContact SD-CD1 3.34Å; M500-Y516 WeakPolarHBondContact SD-CD1 3.09Å; M500-Y516 HydrophobicContact SD-CD2 4.43Å; M500-Y516 HydrophobicContact SD-CE1 4.15Å; M500-Y516 HydrophobicContact SD-CG 3.51Å; M500-Y516 VanDerWaalsContact SD-CG 3.51Å; W513-Y516 PolarHBondContact O-N 2.81Å; Y516-A518 PolarHBondContact O-N 2.04Å; Y516-V519 HydrophobicContact CD2-CB 4.42Å; Y516-V519 WeakPolarHBondContact O-CB 3.41Å; Y516-V519 PolarHBondContact O-N 3.34Å; Y516-L520 HydrophobicContact CD1-CD1 4.04Å; Y516-L520 HydrophobicContact CD1-CG 4.33Å; Y516-L520 HydrophobicContact CE1-CD1 3.83Å; Y516-L520 HydrophobicContact CE1-CD2 4.16Å; Y516-L520 HydrophobicContact CE1-CG 4.09Å; Y516-L520 HydrophobicContact CE2-CD2 4.29Å; Y516-L520 HydrophobicContact CE2-CG 4.48Å; Y516-L520 WeakPolarHBondContact O-CG 3.29Å; Y516-L520 PolarHBondContact O-N 3.07Å; Y516-L534 HydrophobicContact CD1-CD1 4.17Å; Y516-L534 HydrophobicContact CD1-CD2 4.5Å; Y516-W550 HydrophobicContact CE1-CH2 4.06Å
517	R	90.4	Very high	88.4	Confident	54 Å²	54	80.3 Å²	80.3	20%	0.204	38%	0.375	C	S	.	.	H	α-helix	trans	-55.8	-38.4	170.9	-164.5	-159.8	-173.7	-170.5	-5.3	112.5	W513 Y515 V519 L520 K521 R531 L534 R535	W513-R517 HydrophobicContact CE3-CB 4.11Å; W513-R517 HydrophobicContact CE3-CG 4.47Å; W513-R517 HydrophobicContact CZ3-CB 4.33Å; W513-R517 HydrophobicContact CZ3-CG 4.22Å; W513-R517 WeakPolarHBondContact O-CB 3.32Å; W513-R517 PolarHBondContact O-N 3.31Å; Y515-R517 VanDerWaalsContact C-N 3.34Å; Y515-R517 PolarHBondContact O-N 3.21Å; R517-V519 VanDerWaalsContact C-N 3.35Å; R517-L520 PolarHBondContact O-N 3.5Å; R517-K521 VanDerWaalsContact O-CB 3.31Å; R517-K521 WeakPolarHBondContact O-CB 3.35Å; R517-K521 PolarHBondContact O-N 3.34Å; R517-R531 PolarHBondContact NE-O 2.72Å; R517-R531 PolarHBondContact NH2-O 3.49Å; R517-L534 HydrophobicContact CB-CD1 3.75Å; R517-L534 HydrophobicContact CG-CD1 4.3Å; R517-R535 VanDerWaalsContact NH2-CZ 3.31Å
518	A	88.9	Confident	88.2	Confident	52 Å²	52	81.1 Å²	81.1	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-39.4	177.7	0	0	0	0	0	111.3	K514 Y515 Y516 K521 Q522	K514-A518 PolarHBondContact O-N 3.03Å; Y515-A518 WeakPolarHBondContact O-CB 3.21Å; Y515-A518 PolarHBondContact O-N 3.02Å; Y516-A518 PolarHBondContact O-N 2.04Å; A518-K521 WeakPolarHBondContact O-CB 3.48Å; A518-K521 PolarHBondContact O-N 3.31Å; A518-Q522 PolarHBondContact O-N 3.27Å
519	V	89.1	Confident	87.9	Confident	67 Å²	67	81.1 Å²	81.1	41%	0.406	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-50.9	173.5	179.8	0	0	0	0	110.9	Y515 Y516 R517 K521 Q522	Y515-V519 PolarHBondContact O-N 3.1Å; Y516-V519 HydrophobicContact CD2-CB 4.42Å; Y516-V519 WeakPolarHBondContact O-CB 3.41Å; Y516-V519 PolarHBondContact O-N 3.34Å; R517-V519 VanDerWaalsContact C-N 3.35Å; V519-K521 PolarHBondContact O-N 3.35Å; V519-Q522 WeakPolarHBondContact O-CB 3.36Å; V519-Q522 PolarHBondContact O-N 3.01Å
520	L	90.9	Very high	87.9	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-31.8	178.9	-63.8	-179.6	0	0	0	112.8	F462 L466 Y516 R517 Q522 W523 F533 L534	F462-L520 HydrophobicContact CE2-CD2 4.37Å; F462-L520 HydrophobicContact CZ-CD1 4.43Å; L466-L520 HydrophobicContact CD1-CD2 3.89Å; Y516-L520 HydrophobicContact CD1-CD1 4.04Å; Y516-L520 HydrophobicContact CD1-CG 4.33Å; Y516-L520 HydrophobicContact CE1-CD1 3.83Å; Y516-L520 HydrophobicContact CE1-CD2 4.16Å; Y516-L520 HydrophobicContact CE1-CG 4.09Å; Y516-L520 HydrophobicContact CE2-CD2 4.29Å; Y516-L520 HydrophobicContact CE2-CG 4.48Å; Y516-L520 WeakPolarHBondContact O-CG 3.29Å; Y516-L520 PolarHBondContact O-N 3.07Å; R517-L520 PolarHBondContact O-N 3.5Å; L520-Q522 VanDerWaalsContact C-N 3.25Å; L520-Q522 PolarHBondContact O-N 3.11Å; L520-W523 HydrophobicContact CD2-CD2 4.45Å; L520-W523 HydrophobicContact CD2-CE3 4.26Å; L520-W523 HydrophobicContact CD2-CH2 3.34Å; L520-W523 HydrophobicContact CD2-CZ2 3.62Å; L520-W523 HydrophobicContact CD2-CZ3 3.72Å; L520-W523 PolarHBondContact O-N 3Å; L520-F533 HydrophobicContact CD1-CD1 3.71Å; L520-L534 HydrophobicContact CD1-CD1 4.25Å; L520-L534 HydrophobicContact CD1-CG 4.48Å
521	K	88.6	Confident	87.8	Confident	104 Å²	104	75.4 Å²	75.4	45%	0.452	35%	0.353	S	S	.	.	H	α-helix	trans	-68.2	-21.2	176.3	-177.4	-174.5	170.8	-166.5	0	112.6	R517 A518 V519 W523 R527	R517-K521 VanDerWaalsContact O-CB 3.31Å; R517-K521 WeakPolarHBondContact O-CB 3.35Å; R517-K521 PolarHBondContact O-N 3.34Å; A518-K521 WeakPolarHBondContact O-CB 3.48Å; A518-K521 PolarHBondContact O-N 3.31Å; V519-K521 PolarHBondContact O-N 3.35Å; K521-W523 VanDerWaalsContact C-N 3.31Å; K521-R527 HydrophobicContact CG-CG 4.43Å; K521-R527 WeakPolarHBondContact O-CG 3.2Å
522	Q	87.6	Confident	87.9	Confident	151 Å²	151	69 Å²	69	71%	0.706	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.8	179.2	-68.8	175.2	-9.4	0	0	113.1	A518 V519 L520 K524	A518-Q522 PolarHBondContact O-N 3.27Å; V519-Q522 WeakPolarHBondContact O-CB 3.36Å; V519-Q522 PolarHBondContact O-N 3.01Å; L520-Q522 VanDerWaalsContact C-N 3.25Å; L520-Q522 PolarHBondContact O-N 3.11Å; Q522-K524 PolarHBondContact O-N 3.39Å
523	W	86.4	Confident	87.9	Confident	40 Å²	40	68.1 Å²	68.1	15%	0.152	32%	0.323	C	S	.	.			trans	-70.6	114.3	-177.6	-64.5	0.7	0	0	0	112	F462 Q465 L466 T469 L520 K521 V526 R527	F462-W523 HydrophobicContact CD2-CE3 4.19Å; F462-W523 HydrophobicContact CD2-CZ3 4.26Å; F462-W523 HydrophobicContact CE2-CE3 4.17Å; F462-W523 HydrophobicContact CE2-CZ3 4Å; Q465-W523 HydrophobicContact CB-CE3 4.01Å; Q465-W523 HydrophobicContact CB-CZ3 3.96Å; Q465-W523 HydrophobicContact CG-CD2 3.86Å; Q465-W523 HydrophobicContact CG-CE3 3.47Å; Q465-W523 VanDerWaalsContact CG-CE3 3.47Å; Q465-W523 HydrophobicContact CG-CH2 4.16Å; Q465-W523 HydrophobicContact CG-CZ2 4.44Å; Q465-W523 HydrophobicContact CG-CZ3 3.65Å; L466-W523 HydrophobicContact CB-CH2 4.25Å; L466-W523 HydrophobicContact CB-CZ3 4.08Å; L466-W523 HydrophobicContact CD1-CH2 4Å; L466-W523 HydrophobicContact CD1-CZ3 4.37Å; T469-W523 HydrophobicContact CG2-CH2 4.09Å; T469-W523 HydrophobicContact CG2-CZ2 3.7Å; T469-W523 WeakPolarHBondContact OG1-CH2 3.33Å; T469-W523 WeakPolarHBondContact OG1-CZ2 3.35Å; L520-W523 HydrophobicContact CD2-CD2 4.45Å; L520-W523 HydrophobicContact CD2-CE3 4.26Å; L520-W523 HydrophobicContact CD2-CH2 3.34Å; L520-W523 HydrophobicContact CD2-CZ2 3.62Å; L520-W523 HydrophobicContact CD2-CZ3 3.72Å; L520-W523 PolarHBondContact O-N 3Å; K521-W523 VanDerWaalsContact C-N 3.31Å; W523-V526 HydrophobicContact CB-CG2 3.7Å; W523-V526 HydrophobicContact CE3-CG2 4.29Å; W523-R527 PolarHBondContact O-N 3.37Å
524	K	82.5	Confident	87.9	Confident	204 Å²	204	68 Å²	68	89%	0.887	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	141.6	178.8	-65	-173.8	179.1	-177.3	0	110.3	Q522 V526	Q522-K524 PolarHBondContact O-N 3.39Å; K524-V526 PolarHBondContact O-N 3Å
525	G	80.5	Confident	87.9	Confident	65 Å²	65	66.9 Å²	66.9	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-23.7	178.8	0	0	0	0	0	116.2
526	V	85.7	Confident	87.8	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.067	30%	0.297	C	S	.	.			trans	-124.7	18.2	-178.1	-66.8	0	0	0	0	113.6	R461 F462 W523 K524 K528 C529 G530	R461-V526 HydrophobicContact CB-CG1 3.94Å; F462-V526 HydrophobicContact CB-CB 3.97Å; F462-V526 HydrophobicContact CB-CG1 3.99Å; F462-V526 HydrophobicContact CB-CG2 4.46Å; F462-V526 HydrophobicContact CD2-CB 4.24Å; F462-V526 HydrophobicContact CD2-CG2 4.14Å; W523-V526 HydrophobicContact CB-CG2 3.7Å; W523-V526 HydrophobicContact CE3-CG2 4.29Å; K524-V526 PolarHBondContact O-N 3Å; V526-K528 VanDerWaalsContact C-N 3.32Å; V526-K528 PolarHBondContact O-N 3.38Å; V526-K528 VanDerWaalsContact O-N 3.16Å; V526-C529 HydrophobicContact CB-CB 4.37Å; V526-C529 WeakPolarHBondContact O-CA 3.44Å; V526-C529 VanDerWaalsContact O-CB 3.22Å; V526-C529 WeakPolarHBondContact O-CB 3.37Å; V526-C529 PolarHBondContact O-N 3.38Å; V526-G530 PolarHBondContact O-N 3.44Å
527	R	85.9	Confident	87.7	Confident	117 Å²	117	60.2 Å²	60.2	44%	0.442	30%	0.295	S	S	.	.	H	α-helix	trans	-49.8	-42.7	-176.1	-162.2	-176.1	82.6	108.9	-1.6	115.4	K521 W523 R531	K521-R527 HydrophobicContact CG-CG 4.43Å; K521-R527 WeakPolarHBondContact O-CG 3.2Å; W523-R527 PolarHBondContact O-N 3.37Å; R527-R531 VanDerWaalsContact CZ-NH2 3.3Å; R527-R531 VanDerWaalsContact O-CB 3.26Å; R527-R531 WeakPolarHBondContact O-CB 3.18Å; R527-R531 PolarHBondContact O-N 3.01Å
528	K	87.4	Confident	87.5	Confident	125 Å²	125	58.7 Å²	58.7	54%	0.543	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-37.5	179.1	-72.2	-172.4	178.9	-176.6	0	111.3	G453 V526 N532	G453-K528 VanDerWaalsContact O-CB 3.24Å; G453-K528 WeakPolarHBondContact O-CB 3.44Å; G453-K528 VanDerWaalsContact O-CD 3.25Å; G453-K528 WeakPolarHBondContact O-CD 3.35Å; V526-K528 VanDerWaalsContact C-N 3.32Å; V526-K528 PolarHBondContact O-N 3.38Å; V526-K528 VanDerWaalsContact O-N 3.16Å; K528-N532 PolarHBondContact O-N 2.88Å
529	C	87.3	Confident	87.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-57	174.6	-47.1	0	0	0	0	110	I451 C454 F462 V526 R531 N532 F533	I451-C529 HydrophobicContact CD1-CB 4.45Å; C454-C529 HydrophobicContact CB-CB 3.8Å; C454-C529 WeakPolarHBondContact CB-SG 3.45Å; C454-C529 WeakPolarHBondContact SG-CB 3.34Å; C454-C529 CovalentContact SG-SG 2.02Å; C454-C529 PolarHBondContact SG-SG 3.18Å; F462-C529 HydrophobicContact CB-CB 3.69Å; F462-C529 HydrophobicContact CD1-CB 4.08Å; F462-C529 HydrophobicContact CD2-CB 3.74Å; F462-C529 HydrophobicContact CE2-CB 4.47Å; F462-C529 HydrophobicContact CG-CB 3.52Å; V526-C529 HydrophobicContact CB-CB 4.37Å; V526-C529 WeakPolarHBondContact O-CA 3.44Å; V526-C529 VanDerWaalsContact O-CB 3.22Å; V526-C529 WeakPolarHBondContact O-CB 3.37Å; V526-C529 PolarHBondContact O-N 3.38Å; C529-R531 VanDerWaalsContact C-N 3.32Å; C529-R531 PolarHBondContact O-N 3.33Å; C529-N532 PolarHBondContact O-N 3.14Å; C529-N532 VanDerWaalsContact O-N 3.1Å; C529-F533 WeakPolarHBondContact O-CB 3.42Å; C529-F533 PolarHBondContact O-N 3.06Å
530	G	89.8	Confident	86.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-35.2	-178.9	0	0	0	0	0	114.4	F462 V526 N532	F462-G530 VanDerWaalsContact CE2-CA 3.44Å; V526-G530 PolarHBondContact O-N 3.44Å; G530-N532 VanDerWaalsContact C-N 3.3Å; G530-N532 PolarHBondContact O-N 2.99Å
531	R	88.1	Confident	86.3	Confident	88 Å²	88	64.7 Å²	64.7	33%	0.332	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-35.9	176.6	178.8	-169.9	-71.8	-155.2	-8.8	113	R517 R527 C529	R517-R531 PolarHBondContact NE-O 2.72Å; R517-R531 PolarHBondContact NH2-O 3.49Å; R527-R531 VanDerWaalsContact CZ-NH2 3.3Å; R527-R531 VanDerWaalsContact O-CB 3.26Å; R527-R531 WeakPolarHBondContact O-CB 3.18Å; R527-R531 PolarHBondContact O-N 3.01Å; C529-R531 VanDerWaalsContact C-N 3.32Å; C529-R531 PolarHBondContact O-N 3.33Å
532	N	88.6	Confident	86.2	Confident	29 Å²	29	63.7 Å²	63.7	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-110	-7.7	-170	-70.8	-18.8	0	0	0	113	I451 R452 K528 C529 G530 R535 A536	I451-N532 HydrophobicContact CG2-CB 3.43Å; I451-N532 VanDerWaalsContact CG2-CB 3.43Å; R452-N532 PolarHBondContact O-ND2 3.07Å; K528-N532 PolarHBondContact O-N 2.88Å; C529-N532 PolarHBondContact O-N 3.14Å; C529-N532 VanDerWaalsContact O-N 3.1Å; G530-N532 VanDerWaalsContact C-N 3.3Å; G530-N532 PolarHBondContact O-N 2.99Å; N532-R535 WeakPolarHBondContact O-CB 3.41Å; N532-R535 PolarHBondContact O-N 3.37Å; N532-A536 PolarHBondContact O-N 3.39Å
533	F	90.5	Very high	86.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-54	-56	-177.7	173.4	-116.8	0	0	0	113.5	L449 I451 F462 L466 L520 C529 R535 A536 C537 W550 T554	L449-F533 HydrophobicContact CD2-CD2 4.07Å; L449-F533 HydrophobicContact CD2-CE2 4.14Å; I451-F533 HydrophobicContact CD1-CB 4.16Å; I451-F533 HydrophobicContact CD1-CD2 3.88Å; F462-F533 HydrophobicContact CE1-CB 3.85Å; F462-F533 HydrophobicContact CE1-CD1 4.13Å; F462-F533 AromaticContact CE1-CD2 3.42Å; F462-F533 HydrophobicContact CE1-CD2 3.42Å; F462-F533 VanDerWaalsContact CE1-CD2 3.42Å; F462-F533 AromaticContact CE1-CE2 3.95Å; F462-F533 HydrophobicContact CE1-CE2 3.95Å; F462-F533 AromaticContact CE1-CG 3.51Å; F462-F533 HydrophobicContact CE1-CG 3.51Å; F462-F533 HydrophobicContact CE2-CB 4.49Å; F462-F533 HydrophobicContact CZ-CB 3.55Å; F462-F533 AromaticContact CZ-CD1 3.75Å; F462-F533 HydrophobicContact CZ-CD1 3.75Å; F462-F533 AromaticContact CZ-CD2 3.87Å; F462-F533 HydrophobicContact CZ-CD2 3.87Å; F462-F533 HydrophobicContact CZ-CE1 4.42Å; F462-F533 AromaticContact CZ-CG 3.42Å; F462-F533 HydrophobicContact CZ-CG 3.42Å; F462-F533 VanDerWaalsContact CZ-CG 3.42Å; L466-F533 HydrophobicContact CD1-CE1 4.43Å; L466-F533 HydrophobicContact CD2-CD1 4.5Å; L466-F533 HydrophobicContact CD2-CE1 3.7Å; L466-F533 HydrophobicContact CD2-CE2 4.14Å; L466-F533 HydrophobicContact CD2-CZ 3.5Å; L466-F533 VanDerWaalsContact CD2-CZ 3.5Å; L520-F533 HydrophobicContact CD1-CD1 3.71Å; C529-F533 WeakPolarHBondContact O-CB 3.42Å; C529-F533 PolarHBondContact O-N 3.06Å; F533-R535 PolarHBondContact O-N 3.48Å; F533-A536 CarbonylContact O-C 3.5Å; F533-A536 WeakPolarHBondContact O-CA 3.46Å; F533-A536 WeakPolarHBondContact O-CB 3.4Å; F533-A536 PolarHBondContact O-N 2.97Å; F533-C537 VanDerWaalsContact CE2-SG 3.58Å; F533-C537 VanDerWaalsContact CZ-SG 3.58Å; F533-C537 PolarHBondContact O-N 2.76Å; F533-C537 PolarHBondContact O-SG 2.9Å; F533-W550 HydrophobicContact CE1-CH2 4.07Å; F533-W550 AromaticContact CE1-CZ3 3.73Å; F533-W550 HydrophobicContact CE1-CZ3 3.73Å; F533-W550 HydrophobicContact CZ-CZ3 4.25Å; F533-T554 HydrophobicContact CZ-CG2 3.79Å
534	L	90.7	Very high	86.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-30.3	-178.9	-70.4	157.9	0	0	0	112.6	W513 Y516 R517 L520 A536 C537 D538 I545 W550	W513-L534 HydrophobicContact CB-CD1 4.14Å; W513-L534 HydrophobicContact CB-CD2 4.36Å; W513-L534 HydrophobicContact CD2-CB 4.19Å; W513-L534 HydrophobicContact CD2-CD1 4.38Å; W513-L534 HydrophobicContact CE3-CB 3.6Å; W513-L534 HydrophobicContact CE3-CD1 3.65Å; W513-L534 HydrophobicContact CE3-CG 4.18Å; W513-L534 HydrophobicContact CZ3-CB 3.81Å; W513-L534 HydrophobicContact CZ3-CD1 4.41Å; Y516-L534 HydrophobicContact CD1-CD1 4.17Å; Y516-L534 HydrophobicContact CD1-CD2 4.5Å; R517-L534 HydrophobicContact CB-CD1 3.75Å; R517-L534 HydrophobicContact CG-CD1 4.3Å; L520-L534 HydrophobicContact CD1-CD1 4.25Å; L520-L534 HydrophobicContact CD1-CG 4.48Å; L534-A536 VanDerWaalsContact C-N 3.31Å; L534-C537 PolarHBondContact O-N 2.87Å; L534-D538 PolarHBondContact O-N 2.98Å; L534-I545 HydrophobicContact CB-CD1 4.08Å; L534-I545 HydrophobicContact CD2-CD1 3.9Å; L534-I545 VanDerWaalsContact O-CD1 3.3Å; L534-I545 WeakPolarHBondContact O-CD1 3.37Å; L534-W550 HydrophobicContact CD2-CE3 4.35Å; L534-W550 HydrophobicContact CD2-CZ3 3.74Å
535	R	88	Confident	86.8	Confident	121 Å²	121	48.7 Å²	48.7	46%	0.457	28%	0.275	S	S	.	.	H	α-helix	trans	-73.9	-22.6	172.6	-67.1	-178.4	178.8	177.4	-7.2	113.5	W513 R517 N532 F533	W513-R535 HydrophobicContact CH2-CG 4.03Å; R517-R535 VanDerWaalsContact NH2-CZ 3.31Å; N532-R535 WeakPolarHBondContact O-CB 3.41Å; N532-R535 PolarHBondContact O-N 3.37Å; F533-R535 PolarHBondContact O-N 3.48Å
536	A	86.2	Confident	87.3	Confident	33 Å²	33	47.5 Å²	47.5	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-83.1	-20.6	174.5	0	0	0	0	0	111.4	L449 I451 N532 F533 L534	L449-A536 HydrophobicContact CD1-CB 3.85Å; L449-A536 HydrophobicContact CD2-CB 4.47Å; L449-A536 HydrophobicContact CG-CB 4.26Å; I451-A536 HydrophobicContact CG1-CB 4Å; N532-A536 PolarHBondContact O-N 3.39Å; F533-A536 CarbonylContact O-C 3.5Å; F533-A536 WeakPolarHBondContact O-CA 3.46Å; F533-A536 WeakPolarHBondContact O-CB 3.4Å; F533-A536 PolarHBondContact O-N 2.97Å; L534-A536 VanDerWaalsContact C-N 3.31Å
537	C	87.9	Confident	87.5	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-82	-25.3	172.6	-59.3	0	0	0	0	113.6	F533 L534 S539 I545 C553	F533-C537 VanDerWaalsContact CE2-SG 3.58Å; F533-C537 VanDerWaalsContact CZ-SG 3.58Å; F533-C537 PolarHBondContact O-N 2.76Å; F533-C537 PolarHBondContact O-SG 2.9Å; L534-C537 PolarHBondContact O-N 2.87Å; C537-S539 PolarHBondContact O-N 2.93Å; C537-I545 HydrophobicContact CB-CD1 4.42Å; C537-I545 HydrophobicContact CB-CG2 4.43Å; C537-C553 WeakPolarHBondContact CA-SG 3.47Å; C537-C553 HydrophobicContact CB-CB 3.4Å; C537-C553 WeakPolarHBondContact CB-SG 3.49Å; C537-C553 WeakPolarHBondContact SG-CB 3.19Å; C537-C553 CovalentContact SG-SG 2.03Å; C537-C553 PolarHBondContact SG-SG 3.27Å
538	D	88	Confident	87.5	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.118	28%	0.279	C	S	.	.			trans	-73.1	88.1	171.2	179.7	4.1	0	0	0	108.9	L534 N540 G541 D542 S543 I545	L534-D538 PolarHBondContact O-N 2.98Å; D538-N540 PolarHBondContact OD1-OD1 3.06Å; D538-N540 VanDerWaalsContact OD1-OD1 3.08Å; D538-G541 WeakPolarHBondContact OD1-CA 3.44Å; D538-G541 PolarHBondContact OD1-N 2.96Å; D538-D542 PolarHBondContact OD1-N 3.08Å; D538-S543 WeakPolarHBondContact OD2-CA 3.49Å; D538-S543 PolarHBondContact OD2-N 3.4Å; D538-I545 HydrophobicContact CB-CG1 4.1Å
539	S	80	Confident	87.6	Confident	97 Å²	97	47.2 Å²	47.2	68%	0.678	26%	0.257	S	S	*	.	S	Bend	trans	-78	-30.2	-166.9	69.1	0	0	0	0	112.6	C537 E549	C537-S539 PolarHBondContact O-N 2.93Å; S539-E549 PolarHBondContact N-OE1 2.98Å; S539-E549 PolarHBondContact OG-OE1 3.37Å
540	N	80.9	Confident	87.8	Confident	96 Å²	96	47.2 Å²	47.2	51%	0.513	26%	0.257	S	S	.	.	S	Bend	trans	-95.4	-11.3	178.6	67.7	2.2	0	0	0	112.9	D538 D542	D538-N540 PolarHBondContact OD1-OD1 3.06Å; D538-N540 VanDerWaalsContact OD1-OD1 3.08Å; N540-D542 VanDerWaalsContact C-N 3.31Å; N540-D542 VanDerWaalsContact ND2-CG 3.28Å; N540-D542 PolarHBondContact ND2-OD2 2.82Å; N540-D542 PolarHBondContact O-N 3.47Å; N540-D542 PolarHBondContact OD1-N 3.48Å; N540-D542 VanDerWaalsContact OD1-N 3.15Å; N540-D542 PolarHBondContact OD1-OD1 3.43Å; N540-D542 VanDerWaalsContact OD1-OD1 3.12Å; N540-D542 PolarHBondContact OD1-OD2 3.41Å
541	G	82.5	Confident	87.6	Confident	52 Å²	52	48.1 Å²	48.1	54%	0.536	26%	0.262	S	S	.	.			trans	75.7	15.2	175.2	0	0	0	0	0	114.4	D538 S543	D538-G541 WeakPolarHBondContact OD1-CA 3.44Å; D538-G541 PolarHBondContact OD1-N 2.96Å; G541-S543 PolarHBondContact O-N 3.22Å
542	D	86.2	Confident	87.2	Confident	82 Å²	82	47.8 Å²	47.8	44%	0.439	27%	0.266	S	S	.	.	S	Bend	trans	-79.8	2.6	-178.1	72.4	8.3	0	0	0	113.1	D538 N540 V544	D538-D542 PolarHBondContact OD1-N 3.08Å; N540-D542 VanDerWaalsContact C-N 3.31Å; N540-D542 VanDerWaalsContact ND2-CG 3.28Å; N540-D542 PolarHBondContact ND2-OD2 2.82Å; N540-D542 PolarHBondContact O-N 3.47Å; N540-D542 PolarHBondContact OD1-N 3.48Å; N540-D542 VanDerWaalsContact OD1-N 3.15Å; N540-D542 PolarHBondContact OD1-OD1 3.43Å; N540-D542 VanDerWaalsContact OD1-OD1 3.12Å; N540-D542 PolarHBondContact OD1-OD2 3.41Å; D542-V544 PolarHBondContact O-N 3Å; D542-V544 WeakPolarHBondContact OD1-CA 3.49Å; D542-V544 VanDerWaalsContact OD1-CB 3.31Å; D542-V544 WeakPolarHBondContact OD1-CB 3.46Å; D542-V544 PolarHBondContact OD1-N 3.37Å
543	S	86.5	Confident	87	Confident	42 Å²	42	46.8 Å²	46.8	29%	0.294	26%	0.262	S	S	.	.	S	Bend	trans	66.5	14.5	-175.7	-61.7	0	0	0	0	115.2	D538 G541	D538-S543 WeakPolarHBondContact OD2-CA 3.49Å; D538-S543 PolarHBondContact OD2-N 3.4Å; G541-S543 PolarHBondContact O-N 3.22Å
544	V	90.8	Very high	86.6	Confident	38 Å²	38	46.8 Å²	46.8	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.7	179.3	-177.8	0	0	0	0	109.3	K507 D542 T546	K507-V544 HydrophobicContact CB-CG1 3.67Å; K507-V544 HydrophobicContact CD-CG1 4.03Å; K507-V544 HydrophobicContact CG-CG1 4.23Å; D542-V544 PolarHBondContact O-N 3Å; D542-V544 WeakPolarHBondContact OD1-CA 3.49Å; D542-V544 VanDerWaalsContact OD1-CB 3.31Å; D542-V544 WeakPolarHBondContact OD1-CB 3.46Å; D542-V544 PolarHBondContact OD1-N 3.37Å; V544-T546 PolarHBondContact O-N 2.99Å
545	I	91.1	Very high	85.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.8	-179.8	-53.7	167.3	0	0	0	108.7	L508 W513 L534 C537 D538 E549 W550	L508-I545 HydrophobicContact CB-CB 4.2Å; L508-I545 PolarHBondContact N-O 3.39Å; L508-I545 PolarHBondContact O-N 3.34Å; W513-I545 HydrophobicContact CG-CD1 4.4Å; L534-I545 HydrophobicContact CB-CD1 4.08Å; L534-I545 HydrophobicContact CD2-CD1 3.9Å; L534-I545 VanDerWaalsContact O-CD1 3.3Å; L534-I545 WeakPolarHBondContact O-CD1 3.37Å; C537-I545 HydrophobicContact CB-CD1 4.42Å; C537-I545 HydrophobicContact CB-CG2 4.43Å; D538-I545 HydrophobicContact CB-CG1 4.1Å; I545-E549 HydrophobicContact CG2-CB 3.98Å; I545-W550 HydrophobicContact CG2-CB 3.99Å
546	T	91.8	Very high	84.4	Confident	40 Å²	40	47.5 Å²	47.5	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	160.1	174.8	62.8	0	0	0	0	111.9	V544 K548 E549 W550	V544-T546 PolarHBondContact O-N 2.99Å; T546-K548 PolarHBondContact O-N 2.73Å; T546-E549 PolarHBondContact N-OE2 2.99Å; T546-E549 PolarHBondContact O-N 3.11Å; T546-E549 WeakPolarHBondContact OG1-CB 3.23Å; T546-E549 VanDerWaalsContact OG1-CG 3.26Å; T546-E549 WeakPolarHBondContact OG1-CG 3.41Å; T546-E549 PolarHBondContact OG1-N 3.48Å; T546-E549 PolarHBondContact OG1-OE2 2.92Å; T546-W550 PolarHBondContact O-N 3.41Å
547	E	89.4	Confident	83.1	Confident	60 Å²	60	46.6 Å²	46.6	28%	0.28	26%	0.262	S	S	.	.	H	α-helix	trans	-54.8	-39.8	175.6	-170.4	-176.5	176.9	0	0	111.6	R494 F497 W550 L551	R494-E547 IonicContact NH1-OE1 3.04Å; R494-E547 PolarHBondContact NH1-OE1 3.18Å; F497-E547 HydrophobicContact CD1-CB 4.4Å; F497-E547 HydrophobicContact CD1-CG 4.24Å; F497-E547 HydrophobicContact CE1-CB 3.92Å; F497-E547 HydrophobicContact CE1-CG 4.25Å; F497-E547 VanDerWaalsContact CE2-CA 3.46Å; F497-E547 HydrophobicContact CE2-CB 4.19Å; F497-E547 HydrophobicContact CG-CG 4.48Å; F497-E547 VanDerWaalsContact CZ-CA 3.5Å; F497-E547 HydrophobicContact CZ-CB 3.8Å; F497-E547 HydrophobicContact CZ-CG 4.47Å; E547-W550 PolarHBondContact O-N 3.37Å; E547-L551 HydrophobicContact CG-CD1 3.9Å; E547-L551 HydrophobicContact CG-CG 4.39Å; E547-L551 WeakPolarHBondContact O-CB 3.35Å; E547-L551 WeakPolarHBondContact O-CG 3.46Å; E547-L551 PolarHBondContact O-N 3.47Å
548	K	86.8	Confident	81.4	Confident	170 Å²	170	47.5 Å²	47.5	74%	0.739	27%	0.265	S	S	*	.	H	α-helix	trans	-64.2	-47	177.6	-67.1	-175.9	178.9	-177.7	0	112.3	T546 W550 L551 N552	T546-K548 PolarHBondContact O-N 2.73Å; K548-W550 VanDerWaalsContact C-N 3.32Å; K548-W550 PolarHBondContact O-N 2.99Å; K548-L551 PolarHBondContact O-N 3.5Å; K548-N552 WeakPolarHBondContact O-CB 3.37Å; K548-N552 PolarHBondContact O-N 3.36Å; K548-N552 PolarHBondContact O-OD1 3.37Å
549	E	89.5	Confident	79.5	Confident	18 Å²	18	49.9 Å²	49.9	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-41	177.5	-76.3	174.5	123	0	0	112.4	S539 I545 T546 C553	S539-E549 PolarHBondContact N-OE1 2.98Å; S539-E549 PolarHBondContact OG-OE1 3.37Å; I545-E549 HydrophobicContact CG2-CB 3.98Å; T546-E549 PolarHBondContact N-OE2 2.99Å; T546-E549 PolarHBondContact O-N 3.11Å; T546-E549 WeakPolarHBondContact OG1-CB 3.23Å; T546-E549 VanDerWaalsContact OG1-CG 3.26Å; T546-E549 WeakPolarHBondContact OG1-CG 3.41Å; T546-E549 PolarHBondContact OG1-N 3.48Å; T546-E549 PolarHBondContact OG1-OE2 2.92Å; E549-C553 WeakPolarHBondContact O-CB 3.4Å; E549-C553 PolarHBondContact O-N 3Å
550	W	90.4	Very high	77.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-49.3	175.1	173	-107.9	0	0	0	111.8	V493 K496 F497 M500 Y516 F533 L534 I545 T546 E547 K548 C553 T554	V493-W550 VanDerWaalsContact CG1-NE1 3.27Å; V493-W550 PolarHBondContact O-NE1 2.9Å; K496-W550 HydrophobicContact CB-CZ2 4.41Å; K496-W550 HydrophobicContact CG-CZ2 4.32Å; F497-W550 HydrophobicContact CB-CG 4.43Å; F497-W550 HydrophobicContact CD2-CB 3.6Å; F497-W550 AromaticContact CD2-CD1 3.55Å; F497-W550 HydrophobicContact CD2-CD2 4.38Å; F497-W550 AromaticContact CD2-CG 3.56Å; F497-W550 HydrophobicContact CD2-CG 3.56Å; F497-W550 HydrophobicContact CE2-CB 3.9Å; F497-W550 HydrophobicContact CE2-CG 4.34Å; F497-W550 HydrophobicContact CG-CG 4.44Å; M500-W550 HydrophobicContact CE-CE3 4.47Å; M500-W550 HydrophobicContact CE-CH2 3.93Å; M500-W550 HydrophobicContact CE-CZ2 3.97Å; M500-W550 HydrophobicContact CE-CZ3 4.19Å; Y516-W550 HydrophobicContact CE1-CH2 4.06Å; F533-W550 HydrophobicContact CE1-CH2 4.07Å; F533-W550 AromaticContact CE1-CZ3 3.73Å; F533-W550 HydrophobicContact CE1-CZ3 3.73Å; F533-W550 HydrophobicContact CZ-CZ3 4.25Å; L534-W550 HydrophobicContact CD2-CE3 4.35Å; L534-W550 HydrophobicContact CD2-CZ3 3.74Å; I545-W550 HydrophobicContact CG2-CB 3.99Å; T546-W550 PolarHBondContact O-N 3.41Å; E547-W550 PolarHBondContact O-N 3.37Å; K548-W550 VanDerWaalsContact C-N 3.32Å; K548-W550 PolarHBondContact O-N 2.99Å; W550-C553 PolarHBondContact O-N 3.23Å; W550-T554 HydrophobicContact CD2-CG2 4.02Å; W550-T554 HydrophobicContact CE3-CG2 4.04Å; W550-T554 HydrophobicContact CH2-CG2 3.89Å; W550-T554 HydrophobicContact CZ2-CG2 3.87Å; W550-T554 HydrophobicContact CZ3-CG2 3.98Å; W550-T554 WeakPolarHBondContact O-CB 3.39Å; W550-T554 WeakPolarHBondContact O-CG2 3.39Å; W550-T554 PolarHBondContact O-N 2.76Å; W550-T554 PolarHBondContact O-OG1 2.92Å
551	L	86.5	Confident	75.3	Confident	19 Å²	19	45.8 Å²	45.8	10%	0.099	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-46.2	-179.9	-68.1	170.4	0	0	0	111.3	V493 R494 E547 K548 C553 T554 I555	V493-L551 HydrophobicContact CG1-CD2 3.7Å; R494-L551 HydrophobicContact CG-CD2 3.66Å; E547-L551 HydrophobicContact CG-CD1 3.9Å; E547-L551 HydrophobicContact CG-CG 4.39Å; E547-L551 WeakPolarHBondContact O-CB 3.35Å; E547-L551 WeakPolarHBondContact O-CG 3.46Å; E547-L551 PolarHBondContact O-N 3.47Å; K548-L551 PolarHBondContact O-N 3.5Å; L551-C553 PolarHBondContact O-N 3.43Å; L551-T554 PolarHBondContact O-N 3.39Å; L551-T554 PolarHBondContact O-OG1 2.62Å; L551-I555 HydrophobicContact CB-CD1 4.19Å; L551-I555 HydrophobicContact CD2-CD1 3.49Å; L551-I555 VanDerWaalsContact CD2-CD1 3.49Å; L551-I555 HydrophobicContact CD2-CG1 4.43Å; L551-I555 HydrophobicContact CG-CD1 4.41Å; L551-I555 VanDerWaalsContact O-CB 3.29Å; L551-I555 WeakPolarHBondContact O-CB 3.45Å; L551-I555 PolarHBondContact O-N 2.93Å
552	N	79.7	Confident	72.8	Confident	80 Å²	80	48.3 Å²	48.3	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-42.4	178.1	-70	9.9	0	0	0	111.4	K548 T554 E556	K548-N552 WeakPolarHBondContact O-CB 3.37Å; K548-N552 PolarHBondContact O-N 3.36Å; K548-N552 PolarHBondContact O-OD1 3.37Å; N552-T554 PolarHBondContact O-N 2.71Å; N552-E556 VanDerWaalsContact O-CB 3.3Å; N552-E556 WeakPolarHBondContact O-CB 3.12Å; N552-E556 PolarHBondContact O-N 3.38Å
553	C	83	Confident	70.2	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.054	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-18.3	177.6	-174.4	0	0	0	0	114	C537 E549 W550 L551 L557	C537-C553 WeakPolarHBondContact CA-SG 3.47Å; C537-C553 HydrophobicContact CB-CB 3.4Å; C537-C553 WeakPolarHBondContact CB-SG 3.49Å; C537-C553 WeakPolarHBondContact SG-CB 3.19Å; C537-C553 CovalentContact SG-SG 2.03Å; C537-C553 PolarHBondContact SG-SG 3.27Å; E549-C553 WeakPolarHBondContact O-CB 3.4Å; E549-C553 PolarHBondContact O-N 3Å; W550-C553 PolarHBondContact O-N 3.23Å; L551-C553 PolarHBondContact O-N 3.43Å; C553-L557 WeakPolarHBondContact O-CD1 3.4Å; C553-L557 VanDerWaalsContact O-CG 3.27Å; C553-L557 WeakPolarHBondContact O-CG 3.29Å
554	T	81.7	Confident	67.7	Low	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-105.8	-60.2	-178	48.8	0	0	0	0	111	F467 V493 F533 W550 L551 N552 L557	F467-T554 VanDerWaalsContact CZ-O 3.23Å; F467-T554 WeakPolarHBondContact CZ-O 3.3Å; V493-T554 HydrophobicContact CG1-CG2 4.41Å; V493-T554 WeakPolarHBondContact CG1-OG1 3.44Å; F533-T554 HydrophobicContact CZ-CG2 3.79Å; W550-T554 HydrophobicContact CD2-CG2 4.02Å; W550-T554 HydrophobicContact CE3-CG2 4.04Å; W550-T554 HydrophobicContact CH2-CG2 3.89Å; W550-T554 HydrophobicContact CZ2-CG2 3.87Å; W550-T554 HydrophobicContact CZ3-CG2 3.98Å; W550-T554 WeakPolarHBondContact O-CB 3.39Å; W550-T554 WeakPolarHBondContact O-CG2 3.39Å; W550-T554 PolarHBondContact O-N 2.76Å; W550-T554 PolarHBondContact O-OG1 2.92Å; L551-T554 PolarHBondContact O-N 3.39Å; L551-T554 PolarHBondContact O-OG1 2.62Å; N552-T554 PolarHBondContact O-N 2.71Å; T554-L557 PolarHBondContact O-N 3.44Å
555	I	71.5	Confident	64.8	Low	40 Å²	40	63.7 Å²	63.7	21%	0.205	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-44.9	-172.3	-61.4	175.8	0	0	0	110.9	D490 V493 L551 L557 Y558	D490-I555 HydrophobicContact CB-CD1 4.21Å; D490-I555 WeakPolarHBondContact OD1-CG2 3.49Å; V493-I555 HydrophobicContact CB-CG1 4.35Å; V493-I555 HydrophobicContact CG1-CD1 4.3Å; V493-I555 HydrophobicContact CG1-CG1 4.12Å; V493-I555 HydrophobicContact CG2-CG1 4.24Å; L551-I555 HydrophobicContact CB-CD1 4.19Å; L551-I555 HydrophobicContact CD2-CD1 3.49Å; L551-I555 VanDerWaalsContact CD2-CD1 3.49Å; L551-I555 HydrophobicContact CD2-CG1 4.43Å; L551-I555 HydrophobicContact CG-CD1 4.41Å; L551-I555 VanDerWaalsContact O-CB 3.29Å; L551-I555 WeakPolarHBondContact O-CB 3.45Å; L551-I555 PolarHBondContact O-N 2.93Å; I555-L557 PolarHBondContact O-N 3.24Å; I555-L557 VanDerWaalsContact O-N 3.13Å; I555-Y558 PolarHBondContact O-N 3.02Å
556	E	61	Low	62.2	Low	98 Å²	98	66.1 Å²	66.1	46%	0.458	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.9	-177.1	-57.8	-178.8	156.6	0	0	113.3	N552	N552-E556 VanDerWaalsContact O-CB 3.3Å; N552-E556 WeakPolarHBondContact O-CB 3.12Å; N552-E556 PolarHBondContact O-N 3.38Å
557	L	60.1	Low	59.3	Low	14 Å²	14	67 Å²	67	7%	0.073	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.2	179.4	-57.8	-172	0	0	0	114.5	V447 L449 L463 C553 T554 I555	V447-L557 HydrophobicContact CG1-CD2 4.08Å; L449-L557 HydrophobicContact CB-CD1 3.37Å; L449-L557 HydrophobicContact CB-CD2 3.53Å; L449-L557 HydrophobicContact CB-CG 4.13Å; L449-L557 HydrophobicContact CD1-CD1 4.07Å; L449-L557 HydrophobicContact CD2-CD1 3.16Å; L449-L557 HydrophobicContact CG-CD1 3.64Å; L463-L557 HydrophobicContact CD1-CB 3.88Å; L463-L557 HydrophobicContact CD2-CB 4.21Å; L463-L557 HydrophobicContact CD2-CD1 4.13Å; C553-L557 WeakPolarHBondContact O-CD1 3.4Å; C553-L557 VanDerWaalsContact O-CG 3.27Å; C553-L557 WeakPolarHBondContact O-CG 3.29Å; T554-L557 PolarHBondContact O-N 3.44Å; I555-L557 PolarHBondContact O-N 3.24Å; I555-L557 VanDerWaalsContact O-N 3.13Å
558	Y	52	Low	56.5	Low	21 Å²	21	72.7 Å²	72.7	8%	0.082	38%	0.376	C	S	.	.			trans	-142.8	79.5	-171.1	-155.6	-87.6	0	0	0	112.1	L463 F464 F467 I555 C560 C570 V572	L463-Y558 HydrophobicContact CB-CD2 4.05Å; L463-Y558 HydrophobicContact CB-CE2 4.46Å; F464-Y558 VanDerWaalsContact CD2-OH 3.26Å; F464-Y558 WeakPolarHBondContact CD2-OH 3.5Å; F467-Y558 HydrophobicContact CD2-CD1 4.29Å; F467-Y558 AromaticContact CD2-CD2 3.74Å; F467-Y558 HydrophobicContact CD2-CD2 3.74Å; F467-Y558 HydrophobicContact CD2-CE2 4.22Å; F467-Y558 AromaticContact CD2-CG 3.78Å; F467-Y558 HydrophobicContact CD2-CG 3.78Å; F467-Y558 HydrophobicContact CE2-CD1 4.36Å; F467-Y558 AromaticContact CE2-CD2 3.8Å; F467-Y558 HydrophobicContact CE2-CD2 3.8Å; F467-Y558 AromaticContact CE2-CG 3.6Å; F467-Y558 HydrophobicContact CE2-CG 3.6Å; F467-Y558 HydrophobicContact CZ-CG 4.36Å; I555-Y558 PolarHBondContact O-N 3.02Å; Y558-C560 VanDerWaalsContact CE1-SG 3.51Å; Y558-C560 PolarHBondContact O-N 3.26Å; Y558-C570 HydrophobicContact CE1-CB 3.75Å; Y558-V572 HydrophobicContact CD2-CB 4.47Å; Y558-V572 HydrophobicContact CD2-CG1 4.09Å; Y558-V572 HydrophobicContact CD2-CG2 3.86Å; Y558-V572 HydrophobicContact CE2-CB 4.35Å; Y558-V572 HydrophobicContact CE2-CG1 4.37Å; Y558-V572 HydrophobicContact CE2-CG2 3.31Å
559	E	48	Very low	53.8	Low	72 Å²	72	67 Å²	67	34%	0.336	36%	0.358	S	S	.	.			trans	-85.1	104.2	173.3	-74.8	-169.3	-175.3	0	0	112.6	K561 D571 L573	E559-K561 PolarHBondContact O-N 3.37Å; E559-K561 WeakPolarHBondContact OE2-CE 2.94Å; E559-D571 CarbonylContact C-O 3.58Å; E559-L573 HydrophobicContact CB-CD1 3.9Å; E559-L573 HydrophobicContact CB-CG 4.17Å; E559-L573 VanDerWaalsContact CD-CD1 3.48Å; E559-L573 HydrophobicContact CG-CD1 3.98Å; E559-L573 WeakPolarHBondContact OE2-CD1 3.38Å
560	C	36.5	Very low	51.3	Low	27 Å²	27	68.2 Å²	68.2	18%	0.182	37%	0.367	C	S	.	.			trans	-80	100.6	158.7	-48.7	0	0	0	0	108.8	R489 Y558 C570	R489-C560 PolarHBondContact NH1-SG 2.9Å; R489-C560 PolarHBondContact NH2-SG 3.19Å; R489-C560 VanDerWaalsContact NH2-SG 3.36Å; Y558-C560 VanDerWaalsContact CE1-SG 3.51Å; Y558-C560 PolarHBondContact O-N 3.26Å; C560-C570 HydrophobicContact CB-CB 3.84Å; C560-C570 WeakPolarHBondContact CB-SG 3.49Å; C560-C570 WeakPolarHBondContact SG-CA 3.14Å; C560-C570 WeakPolarHBondContact SG-CB 3.42Å; C560-C570 CovalentContact SG-SG 2.02Å; C560-C570 PolarHBondContact SG-SG 3.28Å
561	K	36.1	Very low	48.7	Very low	81 Å²	81	72.2 Å²	72.2	35%	0.352	39%	0.389	S	S	.	.			trans	-67.4	130	172.1	-74.8	177.4	176.6	166.7	0	109.9	E559 L563	E559-K561 PolarHBondContact O-N 3.37Å; E559-K561 WeakPolarHBondContact OE2-CE 2.94Å; K561-L563 PolarHBondContact O-N 2.99Å
562	P	30.7	Very low	46.5	Very low	105 Å²	105	71.7 Å²	71.7	68%	0.682	39%	0.386	S	S	*	.			trans	-67.1	114.2	164	27.4	-28.9	0	0	0	107.5	N564	P562-N564 PolarHBondContact O-N 2.94Å
563	L	31.5	Very low	44.7	Very low	125 Å²	125	70.4 Å²	70.4	65%	0.654	38%	0.379	S	S	*	.			trans	-74.6	119.5	163.2	-75.1	168.4	0	0	0	106.6	K561 E565	K561-L563 PolarHBondContact O-N 2.99Å; L563-E565 PolarHBondContact O-N 3.47Å; L563-E565 VanDerWaalsContact O-N 3.14Å
564	N	34	Very low	42.6	Very low	159 Å²	159	71 Å²	71	85%	0.85	38%	0.382	S	S	*	.	S	Bend	trans	-52.5	121	161.7	-73.4	-27.1	0	0	0	106.7	P562	P562-N564 PolarHBondContact O-N 2.94Å
565	E	30.5	Very low	40.3	Very low	201 Å²	201	78 Å²	78	94%	0.939	41%	0.413	S	S	*	.	S	Bend	trans	76.9	62.8	-178.4	-46.5	-162.7	-177.1	0	0	117	L563	L563-E565 PolarHBondContact O-N 3.47Å; L563-E565 VanDerWaalsContact O-N 3.14Å
566	G	35.2	Very low	38.5	Very low	50 Å²	50	80.2 Å²	80.2	52%	0.515	43%	0.432	S	S	.	.	S	Bend	trans	161.8	158.4	162.5	0	0	0	0	0	114.8	F568	G566-F568 PolarHBondContact O-N 2.61Å
567	P	31.4	Very low	37.3	Very low	58 Å²	58	79.1 Å²	79.1	38%	0.377	44%	0.44	S	S	.	.	S	Bend	trans	-72.5	128	-174.2	30.6	-32.4	0	0	0	111.7	S84 C569	S84-P567 VanDerWaalsContact OG-CB 3.22Å; S84-P567 WeakPolarHBondContact OG-CB 3.48Å; P567-C569 PolarHBondContact O-N 3.22Å
568	F	29.7	Very low	35.9	Very low	181 Å²	181	87.7 Å²	87.7	79%	0.794	48%	0.479	S	S	*	.			trans	-7.5	100.6	174.4	-62.6	-87.3	0	0	0	117.3	G566	G566-F568 PolarHBondContact O-N 2.61Å
569	C	30.1	Very low	35.1	Very low	51 Å²	51	92.8 Å²	92.8	35%	0.345	51%	0.508	S	S	.	.			trans	-101.3	126	158.3	-74.7	0	0	0	0	109.4	P567	P567-C569 PolarHBondContact O-N 3.22Å
570	C	37.6	Very low	34.2	Very low	42 Å²	42	93.1 Å²	93.1	28%	0.284	53%	0.531	S	S	.	.			trans	-88.5	108.8	173.1	-75.3	0	0	0	0	110.1	R489 Y558 C560	R489-C570 PolarHBondContact NH2-SG 3.16Å; Y558-C570 HydrophobicContact CE1-CB 3.75Å; C560-C570 HydrophobicContact CB-CB 3.84Å; C560-C570 WeakPolarHBondContact CB-SG 3.49Å; C560-C570 WeakPolarHBondContact SG-CA 3.14Å; C560-C570 WeakPolarHBondContact SG-CB 3.42Å; C560-C570 CovalentContact SG-SG 2.02Å; C560-C570 PolarHBondContact SG-SG 3.28Å
571	D	35.6	Very low	34.2	Very low	84 Å²	84	101.4 Å²	101.4	45%	0.449	56%	0.558	S	S	.	*			trans	-75.6	142.3	162.6	-99.4	-39.5	0	0	0	109.6	E559	E559-D571 CarbonylContact C-O 3.58Å
572	V	41.5	Very low	33.9	Very low	9 Å²	9	107.4 Å²	107.4	6%	0.055	58%	0.584	C	S	.	*			trans	-97.4	110.6	160.9	-167.4	0	0	0	0	105.3	R460 L463 Y558 V574	R460-V572 HydrophobicContact CB-CB 4.15Å; R460-V572 HydrophobicContact CB-CG1 4.25Å; R460-V572 HydrophobicContact CB-CG2 4.31Å; R460-V572 HydrophobicContact CG-CB 3.68Å; R460-V572 HydrophobicContact CG-CG1 3.75Å; R460-V572 HydrophobicContact CG-CG2 4.36Å; L463-V572 HydrophobicContact CD1-CG1 3.91Å; Y558-V572 HydrophobicContact CD2-CB 4.47Å; Y558-V572 HydrophobicContact CD2-CG1 4.09Å; Y558-V572 HydrophobicContact CD2-CG2 3.86Å; Y558-V572 HydrophobicContact CE2-CB 4.35Å; Y558-V572 HydrophobicContact CE2-CG1 4.37Å; Y558-V572 HydrophobicContact CE2-CG2 3.31Å; V572-V574 HydrophobicContact CG1-CG2 4.08Å; V572-V574 PolarHBondContact O-N 3.03Å
573	L	40.3	Very low	34.1	Very low	53 Å²	53	112.4 Å²	112.4	28%	0.277	59%	0.59	S	S	.	*			trans	-63.6	88.5	171.2	-71.7	-176	0	0	0	109	E559 F575	E559-L573 HydrophobicContact CB-CD1 3.9Å; E559-L573 HydrophobicContact CB-CG 4.17Å; E559-L573 VanDerWaalsContact CD-CD1 3.48Å; E559-L573 HydrophobicContact CG-CD1 3.98Å; E559-L573 WeakPolarHBondContact OE2-CD1 3.38Å; L573-F575 HydrophobicContact CB-CD2 4.36Å; L573-F575 HydrophobicContact CB-CE2 3.99Å; L573-F575 HydrophobicContact CD1-CE2 3.89Å; L573-F575 HydrophobicContact CD1-CZ 4.13Å; L573-F575 HydrophobicContact CD2-CE1 4.39Å; L573-F575 HydrophobicContact CD2-CE2 3.95Å; L573-F575 HydrophobicContact CD2-CZ 3.78Å; L573-F575 HydrophobicContact CG-CE2 4.17Å; L573-F575 HydrophobicContact CG-CZ 4.42Å
574	V	39.8	Very low	34	Very low	20 Å²	20	115.5 Å²	115.5	12%	0.121	60%	0.601	C	S	.	*			trans	-117.1	87.8	157.4	-177.9	0	0	0	0	105.1	P456 L459 R460 V572 S576	P456-V574 HydrophobicContact CB-CB 4.41Å; P456-V574 HydrophobicContact CB-CG1 3.12Å; L459-V574 HydrophobicContact CD2-CG2 4.29Å; R460-V574 HydrophobicContact CG-CB 3.76Å; R460-V574 HydrophobicContact CG-CG2 3.31Å; R460-V574 PolarHBondContact NH1-O 3.43Å; V572-V574 HydrophobicContact CG1-CG2 4.08Å; V572-V574 PolarHBondContact O-N 3.03Å; V574-S576 PolarHBondContact O-N 3.15Å
575	F	34.3	Very low	34.2	Very low	148 Å²	148	118.4 Å²	118.4	65%	0.649	60%	0.6	S	S	*	*			trans	-53.6	108.3	171	-68.1	-83	0	0	0	108	L573 A577	L573-F575 HydrophobicContact CB-CD2 4.36Å; L573-F575 HydrophobicContact CB-CE2 3.99Å; L573-F575 HydrophobicContact CD1-CE2 3.89Å; L573-F575 HydrophobicContact CD1-CZ 4.13Å; L573-F575 HydrophobicContact CD2-CE1 4.39Å; L573-F575 HydrophobicContact CD2-CE2 3.95Å; L573-F575 HydrophobicContact CD2-CZ 3.78Å; L573-F575 HydrophobicContact CG-CE2 4.17Å; L573-F575 HydrophobicContact CG-CZ 4.42Å; F575-A577 PolarHBondContact O-N 3.34Å
576	S	32.2	Very low	34.6	Very low	85 Å²	85	119.4 Å²	119.4	59%	0.594	62%	0.62	S	S	*	*			trans	-67	120.6	164.2	-69.2	0	0	0	0	105.9	V574 E578	V574-S576 PolarHBondContact O-N 3.15Å; S576-E578 PolarHBondContact O-N 2.93Å
577	A	35.4	Very low	34.6	Very low	75 Å²	75	122.9 Å²	122.9	62%	0.62	63%	0.625	S	S	*	*			trans	-61.3	119	164.6	0	0	0	0	0	107.5	F575 D579	F575-A577 PolarHBondContact O-N 3.34Å; A577-D579 PolarHBondContact O-N 3.41Å
578	E	31.3	Very low	34.7	Very low	194 Å²	194	126.3 Å²	126.3	91%	0.907	64%	0.638	S	S	*	*			trans	-57.9	111.5	148.9	-68	179.5	149.6	0	0	106.4	S576	S576-E578 PolarHBondContact O-N 2.93Å
579	D	36.2	Very low	35	Very low	129 Å²	129	123.2 Å²	123.2	69%	0.69	63%	0.629	S	S	*	*			trans	-137.3	79.1	160.2	-133.6	-14.9	0	0	0	106.6	A577 R581	A577-D579 PolarHBondContact O-N 3.41Å; D579-R581 VanDerWaalsContact C-N 3.28Å; D579-R581 PolarHBondContact O-N 3.2Å
580	G	29.2	Very low	35.3	Very low	79 Å²	79	127.5 Å²	127.5	81%	0.814	65%	0.646	S	S	*	*			trans	-63.7	93.9	157.3	0	0	0	0	0	108.4
581	R	35	Very low	35.2	Very low	200 Å²	200	132.8 Å²	132.8	76%	0.755	67%	0.669	S	S	*	*			trans	-132.3	96.3	154.8	-85.2	-174.6	-165.7	177.2	4.6	110.1	D579 R583	D579-R581 VanDerWaalsContact C-N 3.28Å; D579-R581 PolarHBondContact O-N 3.2Å; R581-R583 PolarHBondContact O-N 3.48Å
582	K	31.3	Very low	35.1	Very low	207 Å²	207	136.1 Å²	136.1	90%	0.9	68%	0.684	S	S	*	*			trans	-42.7	118	144.5	-71.4	176.9	177	175.9	0	107.9
583	R	34.8	Very low	34.7	Very low	210 Å²	210	145.1 Å²	145.1	79%	0.792	73%	0.728	S	S	*	*			trans	-120.6	92.5	152.3	-90.4	-173.2	172.5	-175.2	-1.2	106.8	R581	R581-R583 PolarHBondContact O-N 3.48Å
584	Q	29.6	Very low	34.3	Very low	191 Å²	191	152.2 Å²	152.2	89%	0.893	76%	0.763	S	S	*	*			trans	-59	126.4	143	-86.2	168.3	-35.2	0	0	107.1
585	R	37.2	Very low	33.8	Very low	220 Å²	220	163.3 Å²	163.3	83%	0.83	82%	0.817	S	S	*	*			trans	-155.1	113.3	150.3	-111.3	-178.1	179.1	-174	-1.6	106.5
586	T	39.2	Very low	33.8	Very low	221 Å²	221	164.6 Å²	164.6	100%	1.356	83%	0.832	S	S	*	*			trans	59.9	0	170.7	53.2	0	0	0	0	117.7

Retrieved 586 of 586 residues in 460.9 ms (Link to these results)

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