A0A5K4FFP7_SCHMA Loading...

Ras-GEF domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,121 aa.

						>A0A5K4FFP7_SCHMA|A0A5K4FFP7
MALVNKIQPSQSVPPTRHPGKLKRVGSLVELFDFFVLNEGKVIDTVSVNTFLYTYRLFADMELVLEVVNKKFWDTCLSSLIPTSWKVGIISSFLYFLGAWLQQPHVKDFDSPQKIIHLKCLVRILAGWFDVFQPSYNQDSHNYILNEFMRCCGNNVFSKNQDATRIVLCNIDSEVWDRVTAEMEYLCRQAINCLKIIACKHQIDLNPEKKLPSVRIITINRASCHHSSHNPAMHKSEKHFKEIITITPSINPLINLWNLNLDTVAEQLTVADQRLFLDMELNDCLIYARGKPAPSVQATIDQYNKLYHLVQSSMFNSDQDFPILVEPTPIYSRRFNKRGNYNSPATRVSPQIITIWSKSSPNHNSSASDVGKLKTGCIITWIDIAYRLRQTRNYSALKAIIMALQSTPVLRLWHSWNVLEYHYHEHFMKFKYLASVVSFDNNQEQLRKRLDKCANKMYWYLKLNNPNPLCGDISRPGDISQFEDSDAEYSRRTKYSTSPNQSSYLSGVIPYLGVFLSDLTLLHHSSPDYISRSKYSPSNKNKQEIITNNQKSALPSTNTTTITDNNINDDINSSVISAINNTNYFSKQSVKNPYGIIKLLHISDQLGNFTRSTPDLSVVVASSSTVQSDNNSTKQSWKLLKNVSNTNASPVKPSVSADRNDNIQLNGRVKKEKFGLSRRHSTIDSTDDKLINLDKHRREFKILANIFLLQQNAQFYSLRPEPDFSTWFHSYPLISENEALNRSCDLEPADEQMQQHVNRPFSASPYTFDTSDSSGAVDIINTNKPRHQRNDTNIHVERSKYAITRPPSATPIYATTTTTTSIMRNPNTHISNISSSTSGSLSRNNKSRINGTYSSSDLLDDIKYNRSTTTDELITGNTLDISNQQNNHKHNMKTSTSRWTTHKSSSTTFDTRNDYNSNLSITVSLHHTNSQHDGRVSPFIAKVAHLGSLSHGSHGHNDNHFSHSKQTQPIIQLSVSPVDSVSDVLSKALKLFGCADQKVDNYDLIHVHKDARDITLPKHFNFYESINYSSFNLSNNKHYELLEFICTPTIHNENNNDNNNSLNSSPSSSSTTAAYIKANNNTNYHGKKHNPKPNMTTTEYTKQYKLTSKSSNKHCTVELWS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.1	Very low	26.1	Very low	253 Å²	253	160 Å²	160	100%	1.246	86%	0.864	S	S	*	*				0	4.2	0	-87.9	-79	-170.9	0	0	114.5
2	A	26.2	Very low	26.1	Very low	99 Å²	99	155.8 Å²	155.8	82%	0.818	86%	0.855	S	S	*	*			trans	-126.8	15.7	-172.1	0	0	0	0	0	117.3
3	L	25.6	Very low	25.9	Very low	169 Å²	169	153.3 Å²	153.3	89%	0.885	85%	0.847	S	S	*	*	S	Bend	trans	-133.4	11.3	-173.3	-127.5	103.1	0	0	0	118.7
4	V	30.3	Very low	26	Very low	131 Å²	131	148.2 Å²	148.2	79%	0.794	83%	0.825	S	S	*	*			trans	-105.8	12.2	-171.5	-172.8	0	0	0	0	114.7	K6	V4-K6 PolarHBondContact O-N 3.45Å
5	N	25.9	Very low	26	Very low	170 Å²	170	146.4 Å²	146.4	91%	0.909	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	34	-176.8	-86.8	-1.9	0	0	0	116.1
6	K	25.1	Very low	26.1	Very low	201 Å²	201	143.2 Å²	143.2	87%	0.874	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132	15.3	-175.9	-104.6	-173	-178.6	-176.9	0	118.7	V4	V4-K6 PolarHBondContact O-N 3.45Å
7	I	28.3	Very low	26.2	Very low	160 Å²	160	149.1 Å²	149.1	82%	0.821	81%	0.814	S	S	*	*			trans	-94.1	111.8	173.6	-59	176.1	0	0	0	109.4
8	Q	24.7	Very low	26.2	Very low	171 Å²	171	149.2 Å²	149.2	80%	0.799	81%	0.808	S	S	*	*			trans	-60.3	133.1	172.4	-78.8	-172.1	-24.8	0	0	110.7	S10	Q8-S10 PolarHBondContact O-N 3.38Å
9	P	25.5	Very low	26.7	Very low	133 Å²	133	146.5 Å²	146.5	86%	0.864	80%	0.798	S	S	*	*			trans	-82.7	104.3	177.4	31.4	-28.8	0	0	0	109.1
10	S	23	Very low	27.1	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	79%	0.787	S	S	*	*			trans	-123.9	136.3	164.1	66	0	0	0	0	108.8	Q8	Q8-S10 PolarHBondContact O-N 3.38Å
11	Q	28.1	Very low	27.7	Very low	179 Å²	179	144.5 Å²	144.5	84%	0.836	79%	0.79	S	S	*	*	S	Bend	trans	87	112.5	170	-57.6	179.7	-11	0	0	118
12	S	25.4	Very low	28.6	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	75%	0.754	S	S	*	*			trans	50.5	87.7	155.9	61.5	0	0	0	0	117.2	P14	S12-P14 VanDerWaalsContact O-CD 3.22Å; S12-P14 WeakPolarHBondContact O-CD 3.49Å
13	V	24	Very low	29.9	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	74%	0.741	S	S	*	*			trans	-64.2	112.9	163.5	178.5	0	0	0	0	108.5	T16	V13-T16 HydrophobicContact CG1-CG2 4.17Å
14	P	27.2	Very low	32	Very low	82 Å²	82	132.8 Å²	132.8	53%	0.532	71%	0.709	S	S	.	*			trans	-64.1	153	167.4	-9	25.7	0	0	0	108.4	S12 T16	S12-P14 VanDerWaalsContact O-CD 3.22Å; S12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-T16 PolarHBondContact O-N 3.25Å
15	P	26.2	Very low	34.3	Very low	121 Å²	121	127.3 Å²	127.3	79%	0.786	68%	0.676	S	S	*	*			trans	-54.9	117.6	-170.7	22.9	-31.2	0	0	0	109.3	R17	P15-R17 PolarHBondContact O-N 3.16Å
16	T	27.1	Very low	36.9	Very low	95 Å²	95	119.2 Å²	119.2	58%	0.583	63%	0.633	S	S	*	*			trans	-49.9	101.2	172.4	43	0	0	0	0	107.5	V13 P14 H18	V13-T16 HydrophobicContact CG1-CG2 4.17Å; P14-T16 PolarHBondContact O-N 3.25Å; T16-H18 PolarHBondContact O-N 3.32Å
17	R	27.8	Very low	39.7	Very low	244 Å²	244	110.3 Å²	110.3	92%	0.921	60%	0.595	S	S	*	*			trans	-62.2	92.7	157.3	-87.8	-174.2	179.6	179.4	1	104.2	P15	P15-R17 PolarHBondContact O-N 3.16Å
18	H	27	Very low	42.2	Very low	151 Å²	151	102.7 Å²	102.7	70%	0.699	56%	0.556	S	S	*	*			trans	-44.2	137.6	173.9	-82.9	-64.1	0	0	0	107.9	T16 G20	T16-H18 PolarHBondContact O-N 3.32Å; H18-G20 PolarHBondContact O-N 3.23Å
19	P	34.1	Very low	45	Very low	97 Å²	97	95.8 Å²	95.8	63%	0.63	53%	0.526	S	S	*	.			trans	-73.8	56	174.9	33.7	-34.5	0	0	0	107.9	K21	P19-K21 PolarHBondContact O-N 3.37Å
20	G	36.1	Very low	47.6	Very low	55 Å²	55	92.7 Å²	92.7	57%	0.567	50%	0.5	S	S	*	.			trans	-69.7	88.9	178.8	0	0	0	0	0	106.5	H18 L22	H18-G20 PolarHBondContact O-N 3.23Å; G20-L22 VanDerWaalsContact O-CA 3.3Å; G20-L22 WeakPolarHBondContact O-CA 3.16Å; G20-L22 PolarHBondContact O-N 2.91Å
21	K	39.3	Very low	50.4	Low	197 Å²	197	88.3 Å²	88.3	86%	0.857	47%	0.469	S	S	*	.			trans	19.1	67.5	174.1	-72.8	179.7	177.1	176.6	0	110.1	P19 K23	P19-K21 PolarHBondContact O-N 3.37Å; K21-K23 PolarHBondContact O-N 2.95Å
22	L	43.5	Very low	52.8	Low	92 Å²	92	79.9 Å²	79.9	48%	0.482	43%	0.43	S	S	.	.			trans	-50.9	108.2	-165.4	-81.5	160.3	0	0	0	107.2	G20 R24 F34	G20-L22 VanDerWaalsContact O-CA 3.3Å; G20-L22 WeakPolarHBondContact O-CA 3.16Å; G20-L22 PolarHBondContact O-N 2.91Å; L22-R24 PolarHBondContact O-N 2.83Å; L22-R24 VanDerWaalsContact O-N 3.09Å; L22-F34 HydrophobicContact CB-CD2 4.04Å; L22-F34 HydrophobicContact CB-CE2 3.7Å
23	K	54.6	Low	55.3	Low	128 Å²	128	79.4 Å²	79.4	56%	0.557	42%	0.419	S	S	*	.			trans	-60.7	115.7	-168.7	-72.4	179.1	-178.1	178.8	0	106.8	K21 V25 Y535	K21-K23 PolarHBondContact O-N 2.95Å; K23-V25 PolarHBondContact O-N 3.18Å; K23-Y535 HydrophobicContact CB-CD1 4.11Å; K23-Y535 HydrophobicContact CB-CE1 3.95Å; K23-Y535 HydrophobicContact CD-CD1 3.66Å; K23-Y535 HydrophobicContact CD-CE1 3.85Å; K23-Y535 HydrophobicContact CG-CD1 4.44Å; K23-Y535 HydrophobicContact CG-CE1 4.28Å
24	R	69.2	Low	57.6	Low	54 Å²	54	74.9 Å²	74.9	20%	0.204	39%	0.389	C	S	.	.	S	Bend	trans	-76.5	54.4	-172.1	-57.7	-173.9	-175.5	-169.5	-4.4	111.3	L22 F34 D44 L693 D694 R697	L22-R24 PolarHBondContact O-N 2.83Å; L22-R24 VanDerWaalsContact O-N 3.09Å; R24-F34 HydrophobicContact CG-CE1 4.47Å; R24-F34 HydrophobicContact CG-CE2 4.23Å; R24-F34 HydrophobicContact CG-CZ 3.88Å; R24-D44 IonicContact NH2-OD2 3.99Å; R24-L693 HydrophobicContact CB-CB 4.01Å; R24-L693 VanDerWaalsContact O-CB 3.29Å; R24-L693 WeakPolarHBondContact O-CB 3.3Å; R24-L693 PolarHBondContact O-N 3.49Å; R24-D694 WeakPolarHBondContact CD-OD1 3.49Å; R24-R697 VanDerWaalsContact NH1-NH1 3.14Å
25	V	77.6	Confident	59.7	Low	16 Å²	16	71.3 Å²	71.3	10%	0.097	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	121.3	-177.4	179.3	0	0	0	0	107.6	K23 I530 Y535 L690 I691	K23-V25 PolarHBondContact O-N 3.18Å; V25-I530 HydrophobicContact CG1-CB 4.1Å; V25-I530 HydrophobicContact CG1-CD1 4.14Å; V25-I530 HydrophobicContact CG2-CD1 3.68Å; V25-Y535 HydrophobicContact CB-CD1 4.05Å; V25-Y535 HydrophobicContact CB-CE1 3.77Å; V25-Y535 HydrophobicContact CG1-CD1 4.33Å; V25-Y535 HydrophobicContact CG1-CE1 4.28Å; V25-Y535 HydrophobicContact CG2-CD1 4.34Å; V25-Y535 HydrophobicContact CG2-CE1 3.55Å; V25-L690 HydrophobicContact CG1-CB 3.42Å; V25-L690 VanDerWaalsContact CG1-CB 3.42Å; V25-L690 HydrophobicContact CG1-CD1 4.04Å; V25-L690 HydrophobicContact CG1-CG 4.36Å; V25-I691 VanDerWaalsContact CA-O 3.23Å; V25-I691 WeakPolarHBondContact CA-O 3.49Å
26	G	82.1	Confident	61.7	Low	1 Å²	1	66.8 Å²	66.8	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	172.1	-177.7	0	0	0	0	0	114.5	E30 I691	G26-E30 WeakPolarHBondContact CA-OE2 3.03Å; G26-I691 PolarHBondContact N-O 3.38Å; G26-I691 WeakPolarHBondContact O-CB 3.31Å; G26-I691 PolarHBondContact O-N 3.3Å
27	S	83.6	Confident	63	Low	13 Å²	13	63.9 Å²	63.9	9%	0.091	32%	0.316	C	S	.	.			trans	-66.8	165.9	165.2	74	0	0	0	0	110.7	V29 E30 L31 I683	S27-V29 PolarHBondContact O-N 3.11Å; S27-V29 PolarHBondContact OG-N 3.07Å; S27-E30 PolarHBondContact N-OE2 2.88Å; S27-E30 PolarHBondContact O-N 2.89Å; S27-E30 WeakPolarHBondContact OG-CG 3.14Å; S27-E30 PolarHBondContact OG-N 3.34Å; S27-E30 VanDerWaalsContact OG-N 3.17Å; S27-L31 VanDerWaalsContact O-CG 3.31Å; S27-L31 WeakPolarHBondContact O-CG 3.21Å; S27-L31 PolarHBondContact O-N 3.01Å; S27-I683 PolarHBondContact OG-O 2.88Å
28	L	80.7	Confident	64.1	Low	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54.2	-41.2	177.2	-177.7	59.3	0	0	0	111.4	L31 F32 F51 F58 A59 L63 V67 T682	L28-L31 PolarHBondContact O-N 3.28Å; L28-F32 HydrophobicContact CD1-CD2 4.21Å; L28-F32 HydrophobicContact CD1-CE2 3.76Å; L28-F32 HydrophobicContact CG-CD2 4.37Å; L28-F32 HydrophobicContact CG-CE2 4.18Å; L28-F32 VanDerWaalsContact O-CD2 3.24Å; L28-F32 WeakPolarHBondContact O-CD2 3.45Å; L28-F32 PolarHBondContact O-N 2.94Å; L28-F51 HydrophobicContact CD1-CE2 3.42Å; L28-F51 VanDerWaalsContact CD1-CE2 3.42Å; L28-F51 HydrophobicContact CD1-CZ 3.56Å; L28-F58 HydrophobicContact CD1-CE2 4.42Å; L28-A59 HydrophobicContact CD2-CB 4.14Å; L28-L63 HydrophobicContact CD2-CD2 3.89Å; L28-L63 HydrophobicContact CD2-CG 3.79Å; L28-V67 HydrophobicContact CD2-CB 4.41Å; L28-V67 HydrophobicContact CD2-CG2 3.89Å; L28-V67 HydrophobicContact CG-CG1 4.42Å; L28-V67 HydrophobicContact CG-CG2 4.41Å; L28-T682 PolarHBondContact N-O 3.43Å
29	V	81.9	Confident	65.3	Low	27 Å²	27	55 Å²	55	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-51.1	174.8	172.2	0	0	0	0	110.8	S27 L31 F32 D33 V67 K71 I683 D684	S27-V29 PolarHBondContact O-N 3.11Å; S27-V29 PolarHBondContact OG-N 3.07Å; V29-L31 VanDerWaalsContact C-N 3.26Å; V29-L31 PolarHBondContact O-N 2.87Å; V29-F32 PolarHBondContact O-N 2.91Å; V29-F32 VanDerWaalsContact O-N 3.11Å; V29-D33 PolarHBondContact O-N 3.23Å; V29-D33 VanDerWaalsContact O-N 3.15Å; V29-V67 HydrophobicContact CG2-CG1 4.12Å; V29-K71 VanDerWaalsContact CG1-CE 3.47Å; V29-K71 WeakPolarHBondContact O-CE 3.45Å; V29-K71 PolarHBondContact O-NZ 2.81Å; V29-I683 HydrophobicContact CG2-CG2 4.35Å; V29-I683 WeakPolarHBondContact CG2-O 3.05Å; V29-D684 WeakPolarHBondContact CG2-OD1 3.43Å
30	E	81.7	Confident	66.2	Low	67 Å²	67	51 Å²	51	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-32.4	179.3	-70	173	153.3	0	0	113.1	G26 S27 D33 F34 R532	G26-E30 WeakPolarHBondContact CA-OE2 3.03Å; S27-E30 PolarHBondContact N-OE2 2.88Å; S27-E30 PolarHBondContact O-N 2.89Å; S27-E30 WeakPolarHBondContact OG-CG 3.14Å; S27-E30 PolarHBondContact OG-N 3.34Å; S27-E30 VanDerWaalsContact OG-N 3.17Å; E30-D33 PolarHBondContact O-N 2.74Å; E30-F34 PolarHBondContact O-N 3.15Å; E30-R532 IonicContact OE1-CZ 3.7Å; E30-R532 VanDerWaalsContact OE1-CZ 3.24Å; E30-R532 IonicContact OE1-NH1 2.8Å; E30-R532 PolarHBondContact OE1-NH1 3.04Å; E30-R532 IonicContact OE1-NH2 2.76Å; E30-R532 PolarHBondContact OE1-NH2 2.78Å; E30-R532 IonicContact OE2-CZ 3.48Å; E30-R532 IonicContact OE2-NH1 3.72Å; E30-R532 IonicContact OE2-NH2 2.66Å; E30-R532 PolarHBondContact OE2-NH2 3.27Å
31	L	81.1	Confident	67.2	Low	3 Å²	3	56 Å²	56	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-39.1	175.5	-65.7	-169.1	0	0	0	112.1	S27 L28 V29 D33 F34 F35 F51 I691 L693	S27-L31 VanDerWaalsContact O-CG 3.31Å; S27-L31 WeakPolarHBondContact O-CG 3.21Å; S27-L31 PolarHBondContact O-N 3.01Å; L28-L31 PolarHBondContact O-N 3.28Å; V29-L31 VanDerWaalsContact C-N 3.26Å; V29-L31 PolarHBondContact O-N 2.87Å; L31-D33 VanDerWaalsContact C-N 3.31Å; L31-D33 PolarHBondContact O-N 3Å; L31-F34 WeakPolarHBondContact O-CA 3.38Å; L31-F34 WeakPolarHBondContact O-CB 3.41Å; L31-F34 PolarHBondContact O-N 2.78Å; L31-F34 VanDerWaalsContact O-N 3.09Å; L31-F35 HydrophobicContact CB-CE2 4.5Å; L31-F35 HydrophobicContact CB-CZ 4.12Å; L31-F35 WeakPolarHBondContact O-CD1 3.47Å; L31-F35 WeakPolarHBondContact O-CG 3.45Å; L31-F35 PolarHBondContact O-N 3.41Å; L31-F51 HydrophobicContact CD1-CD2 4.33Å; L31-I691 HydrophobicContact CD1-CB 4.03Å; L31-I691 HydrophobicContact CD1-CD1 3.87Å; L31-I691 HydrophobicContact CD1-CG2 3.95Å; L31-L693 HydrophobicContact CB-CD1 4.49Å; L31-L693 HydrophobicContact CD1-CD1 3.91Å; L31-L693 HydrophobicContact CD1-CD2 3.81Å; L31-L693 HydrophobicContact CD1-CG 3.73Å; L31-L693 HydrophobicContact CD2-CD1 3.38Å; L31-L693 HydrophobicContact CD2-CG 3.69Å; L31-L693 HydrophobicContact CG-CD1 4.09Å; L31-L693 HydrophobicContact CG-CG 4.3Å
32	F	79	Confident	68.2	Low	2 Å²	2	51 Å²	51	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-31.7	173.9	-83.4	-72.6	0	0	0	112.6	L28 V29 F34 F35 F51 V64 V67 V68 K71 F93 F96	L28-F32 HydrophobicContact CD1-CD2 4.21Å; L28-F32 HydrophobicContact CD1-CE2 3.76Å; L28-F32 HydrophobicContact CG-CD2 4.37Å; L28-F32 HydrophobicContact CG-CE2 4.18Å; L28-F32 VanDerWaalsContact O-CD2 3.24Å; L28-F32 WeakPolarHBondContact O-CD2 3.45Å; L28-F32 PolarHBondContact O-N 2.94Å; V29-F32 PolarHBondContact O-N 2.91Å; V29-F32 VanDerWaalsContact O-N 3.11Å; F32-F34 PolarHBondContact O-N 3.22Å; F32-F35 AromaticContact CD1-CD2 3.75Å; F32-F35 HydrophobicContact CD1-CD2 3.75Å; F32-F35 HydrophobicContact CD1-CE2 4.12Å; F32-F35 HydrophobicContact CE1-CD2 4.03Å; F32-F35 HydrophobicContact CE1-CE2 4.14Å; F32-F35 HydrophobicContact CG-CD2 4.34Å; F32-F35 HydrophobicContact CG-CE2 4.49Å; F32-F35 PolarHBondContact O-N 3.12Å; F32-F51 HydrophobicContact CE2-CE2 4.4Å; F32-F51 AromaticContact CE2-CZ 3.94Å; F32-F51 HydrophobicContact CE2-CZ 3.94Å; F32-F51 HydrophobicContact CZ-CE1 4.01Å; F32-F51 AromaticContact CZ-CZ 3.89Å; F32-F51 HydrophobicContact CZ-CZ 3.89Å; F32-V64 HydrophobicContact CZ-CG1 4.02Å; F32-V67 HydrophobicContact CD2-CG1 3.84Å; F32-V67 HydrophobicContact CE2-CG1 4.21Å; F32-V68 HydrophobicContact CD1-CG2 4.06Å; F32-V68 HydrophobicContact CE1-CG2 3.39Å; F32-V68 HydrophobicContact CE2-CG2 4.03Å; F32-V68 HydrophobicContact CZ-CG2 3.39Å; F32-K71 HydrophobicContact CB-CD 3.71Å; F32-F93 HydrophobicContact CD1-CE1 4.41Å; F32-F96 HydrophobicContact CE1-CD1 4.06Å; F32-F96 HydrophobicContact CE1-CD2 4.05Å; F32-F96 AromaticContact CE1-CE1 3.85Å; F32-F96 HydrophobicContact CE1-CE1 3.85Å; F32-F96 AromaticContact CE1-CE2 3.83Å; F32-F96 HydrophobicContact CE1-CE2 3.83Å; F32-F96 HydrophobicContact CE1-CG 4.18Å; F32-F96 AromaticContact CE1-CZ 3.74Å; F32-F96 HydrophobicContact CE1-CZ 3.74Å; F32-F96 HydrophobicContact CZ-CE1 4.02Å; F32-F96 HydrophobicContact CZ-CE2 4.12Å; F32-F96 AromaticContact CZ-CZ 3.72Å; F32-F96 HydrophobicContact CZ-CZ 3.72Å
33	D	77.4	Confident	69.3	Low	99 Å²	99	48.3 Å²	48.3	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-30.7	170.5	-66.5	-43.3	0	0	0	111.4	V29 E30 L31 K71	V29-D33 PolarHBondContact O-N 3.23Å; V29-D33 VanDerWaalsContact O-N 3.15Å; E30-D33 PolarHBondContact O-N 2.74Å; L31-D33 VanDerWaalsContact C-N 3.31Å; L31-D33 PolarHBondContact O-N 3Å; D33-K71 IonicContact OD1-NZ 3.99Å; D33-K71 PolarHBondContact OD1-NZ 3.48Å; D33-K71 IonicContact OD2-NZ 3.59Å; D33-K71 PolarHBondContact OD2-NZ 3.06Å
34	F	71.6	Confident	70.3	Confident	29 Å²	29	43.3 Å²	43.3	13%	0.127	22%	0.222	C	C	.	.	H	α-helix	trans	-73.9	-35.6	177.6	177.8	-89.5	0	0	0	113.3	L22 R24 E30 L31 F32 V36 L37 S47	L22-F34 HydrophobicContact CB-CD2 4.04Å; L22-F34 HydrophobicContact CB-CE2 3.7Å; R24-F34 HydrophobicContact CG-CE1 4.47Å; R24-F34 HydrophobicContact CG-CE2 4.23Å; R24-F34 HydrophobicContact CG-CZ 3.88Å; E30-F34 PolarHBondContact O-N 3.15Å; L31-F34 WeakPolarHBondContact O-CA 3.38Å; L31-F34 WeakPolarHBondContact O-CB 3.41Å; L31-F34 PolarHBondContact O-N 2.78Å; L31-F34 VanDerWaalsContact O-N 3.09Å; F32-F34 PolarHBondContact O-N 3.22Å; F34-V36 PolarHBondContact O-N 3.27Å; F34-L37 WeakPolarHBondContact O-CD2 3.26Å; F34-S47 WeakPolarHBondContact CE1-OG 3.24Å
35	F	73.1	Confident	70.6	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-26.7	177.8	-58.8	-28.2	0	0	0	112.6	L31 F32 L37 V48 F51 L693	L31-F35 HydrophobicContact CB-CE2 4.5Å; L31-F35 HydrophobicContact CB-CZ 4.12Å; L31-F35 WeakPolarHBondContact O-CD1 3.47Å; L31-F35 WeakPolarHBondContact O-CG 3.45Å; L31-F35 PolarHBondContact O-N 3.41Å; F32-F35 AromaticContact CD1-CD2 3.75Å; F32-F35 HydrophobicContact CD1-CD2 3.75Å; F32-F35 HydrophobicContact CD1-CE2 4.12Å; F32-F35 HydrophobicContact CE1-CD2 4.03Å; F32-F35 HydrophobicContact CE1-CE2 4.14Å; F32-F35 HydrophobicContact CG-CD2 4.34Å; F32-F35 HydrophobicContact CG-CE2 4.49Å; F32-F35 PolarHBondContact O-N 3.12Å; F35-L37 PolarHBondContact O-N 3.36Å; F35-V48 HydrophobicContact CB-CG2 4.2Å; F35-V48 HydrophobicContact CD1-CG2 4.46Å; F35-V48 HydrophobicContact CG-CG2 4.18Å; F35-F51 HydrophobicContact CE1-CB 4.23Å; F35-F51 HydrophobicContact CE2-CB 3.92Å; F35-F51 HydrophobicContact CE2-CD1 4.28Å; F35-F51 AromaticContact CE2-CD2 3.82Å; F35-F51 HydrophobicContact CE2-CD2 3.82Å; F35-F51 HydrophobicContact CE2-CE2 4.4Å; F35-F51 AromaticContact CE2-CG 3.73Å; F35-F51 HydrophobicContact CE2-CG 3.73Å; F35-F51 HydrophobicContact CZ-CB 3.42Å; F35-F51 VanDerWaalsContact CZ-CB 3.42Å; F35-F51 AromaticContact CZ-CD2 3.59Å; F35-F51 HydrophobicContact CZ-CD2 3.59Å; F35-F51 HydrophobicContact CZ-CE2 4.49Å; F35-F51 AromaticContact CZ-CG 3.61Å; F35-F51 HydrophobicContact CZ-CG 3.61Å; F35-L693 HydrophobicContact CE1-CD1 4.07Å; F35-L693 HydrophobicContact CZ-CD1 4.45Å
36	V	67	Low	70.6	Confident	25 Å²	25	42.1 Å²	42.1	15%	0.152	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	82.1	171.4	-168.1	0	0	0	0	109.1	F34 I89 F93	F34-V36 PolarHBondContact O-N 3.27Å; V36-I89 HydrophobicContact CG1-CB 4.26Å; V36-I89 HydrophobicContact CG1-CG1 3.7Å; V36-I89 HydrophobicContact CG2-CG2 4.38Å; V36-F93 HydrophobicContact CG2-CE1 4.4Å
37	L	54.8	Low	70.6	Confident	35 Å²	35	42.2 Å²	42.2	18%	0.183	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	149.7	176.5	-57	169.5	0	0	0	111.1	F34 F35 E39 G40 V42 D44	F34-L37 WeakPolarHBondContact O-CD2 3.26Å; F35-L37 PolarHBondContact O-N 3.36Å; L37-E39 PolarHBondContact O-N 2.96Å; L37-G40 WeakPolarHBondContact O-CA 3.29Å; L37-G40 PolarHBondContact O-N 3.15Å; L37-V42 VanDerWaalsContact CB-O 3.25Å; L37-V42 WeakPolarHBondContact CB-O 3.3Å; L37-D44 HydrophobicContact CD1-CB 3.74Å; L37-D44 HydrophobicContact CG-CB 4.2Å
38	N	51.3	Low	70.7	Confident	109 Å²	109	41.6 Å²	41.6	58%	0.583	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	33.7	82.2	156.5	-66.4	-11.3	0	0	0	115.1	G40 K41	N38-G40 PolarHBondContact O-N 3.3Å; N38-G40 VanDerWaalsContact O-N 3.12Å; N38-K41 PolarHBondContact O-N 3.42Å
39	E	52	Low	70.9	Confident	98 Å²	98	42 Å²	42	46%	0.458	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	64.8	15.1	173.4	-45.6	179.9	163.4	0	0	114.1	L37 K41 W85	L37-E39 PolarHBondContact O-N 2.96Å; E39-K41 VanDerWaalsContact C-N 3.27Å; E39-K41 PolarHBondContact O-N 3.06Å; E39-K41 IonicContact OE2-NZ 3.18Å; E39-K41 PolarHBondContact OE2-NZ 3.09Å; E39-W85 HydrophobicContact CG-CZ2 4.13Å
40	G	53.1	Low	71.1	Confident	14 Å²	14	40.8 Å²	40.8	14%	0.144	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	70	19.8	-179.3	0	0	0	0	0	114.3	L37 N38 G88	L37-G40 WeakPolarHBondContact O-CA 3.29Å; L37-G40 PolarHBondContact O-N 3.15Å; N38-G40 PolarHBondContact O-N 3.3Å; N38-G40 VanDerWaalsContact O-N 3.12Å; G40-G88 VanDerWaalsContact O-CA 3.31Å; G40-G88 WeakPolarHBondContact O-CA 3.19Å
41	K	56.1	Low	71.5	Confident	161 Å²	161	37.6 Å²	37.6	70%	0.7	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-24.2	-179.2	-72.2	175.1	-179.5	155.9	0	114.1	N38 E39	N38-K41 PolarHBondContact O-N 3.42Å; E39-K41 VanDerWaalsContact C-N 3.27Å; E39-K41 PolarHBondContact O-N 3.06Å; E39-K41 IonicContact OE2-NZ 3.18Å; E39-K41 PolarHBondContact OE2-NZ 3.09Å
42	V	60.7	Low	71.9	Confident	91 Å²	91	37.5 Å²	37.5	55%	0.552	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.5	-177.6	-176.3	0	0	0	0	108.8	L37	L37-V42 VanDerWaalsContact CB-O 3.25Å; L37-V42 WeakPolarHBondContact CB-O 3.3Å
43	I	67.6	Low	72.4	Confident	36 Å²	36	38 Å²	38	19%	0.185	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.6	175.8	-59.7	168.3	0	0	0	107.9	T45 V48 Y95	I43-T45 VanDerWaalsContact C-N 3.3Å; I43-T45 PolarHBondContact O-N 3.14Å; I43-V48 HydrophobicContact CG2-CG2 3.79Å; I43-Y95 HydrophobicContact CB-CD1 4.37Å; I43-Y95 HydrophobicContact CD1-CD1 3.73Å; I43-Y95 HydrophobicContact CD1-CD2 3.94Å; I43-Y95 HydrophobicContact CD1-CG 3.37Å; I43-Y95 HydrophobicContact CG2-CD1 3.68Å; I43-Y95 HydrophobicContact CG2-CE1 3.84Å; I43-Y95 HydrophobicContact CG2-CG 4.45Å
44	D	74.2	Confident	73	Confident	23 Å²	23	33.2 Å²	33.2	12%	0.123	17%	0.173	C	C	.	.			trans	-75.2	86.2	171.1	-170.3	-7.2	0	0	0	109.6	R24 L37 V46 S47 V48	R24-D44 IonicContact NH2-OD2 3.99Å; L37-D44 HydrophobicContact CD1-CB 3.74Å; L37-D44 HydrophobicContact CG-CB 4.2Å; D44-V46 PolarHBondContact O-N 3.1Å; D44-V46 WeakPolarHBondContact OD1-CB 3.45Å; D44-V46 PolarHBondContact OD1-N 3.27Å; D44-S47 PolarHBondContact O-N 3Å; D44-S47 PolarHBondContact OD1-N 3.46Å; D44-S47 VanDerWaalsContact OD2-CB 3.3Å; D44-S47 WeakPolarHBondContact OD2-CB 3.22Å; D44-S47 PolarHBondContact OD2-OG 3.29Å; D44-V48 PolarHBondContact O-N 2.91Å
45	T	76	Confident	73.9	Confident	24 Å²	24	31.9 Å²	31.9	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-55.1	-35.4	-179.3	65.1	0	0	0	0	111.9	I43 N49 Y95 D472	I43-T45 VanDerWaalsContact C-N 3.3Å; I43-T45 PolarHBondContact O-N 3.14Å; T45-N49 WeakPolarHBondContact O-CB 3.49Å; T45-N49 PolarHBondContact O-N 2.71Å; T45-N49 PolarHBondContact O-ND2 2.74Å; T45-Y95 HydrophobicContact CG2-CE1 4.3Å; T45-Y95 WeakPolarHBondContact CG2-OH 3.37Å; T45-D472 PolarHBondContact OG1-OD2 3.43Å
46	V	77.5	Confident	74.7	Confident	20 Å²	20	34.5 Å²	34.5	12%	0.121	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-44.2	176.9	-172.3	0	0	0	0	110.8	D44 T50 S474 I479 F700	D44-V46 PolarHBondContact O-N 3.1Å; D44-V46 WeakPolarHBondContact OD1-CB 3.45Å; D44-V46 PolarHBondContact OD1-N 3.27Å; V46-T50 VanDerWaalsContact O-CB 3.24Å; V46-T50 WeakPolarHBondContact O-CB 3.31Å; V46-T50 PolarHBondContact O-N 3.34Å; V46-T50 PolarHBondContact O-OG1 3.42Å; V46-S474 WeakPolarHBondContact CG2-OG 3.01Å; V46-I479 HydrophobicContact CG1-CD1 4Å; V46-F700 HydrophobicContact CG1-CE1 4.38Å
47	S	82.7	Confident	75.7	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-74.6	-35.5	-178.7	-66.7	0	0	0	0	112.2	F34 D44 T50 F51	F34-S47 WeakPolarHBondContact CE1-OG 3.24Å; D44-S47 PolarHBondContact O-N 3Å; D44-S47 PolarHBondContact OD1-N 3.46Å; D44-S47 VanDerWaalsContact OD2-CB 3.3Å; D44-S47 WeakPolarHBondContact OD2-CB 3.22Å; D44-S47 PolarHBondContact OD2-OG 3.29Å; S47-T50 PolarHBondContact O-N 2.85Å; S47-F51 WeakPolarHBondContact O-CB 3.24Å; S47-F51 PolarHBondContact O-N 3.37Å
48	V	84.9	Confident	77.2	Confident	1 Å²	1	34 Å²	34	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-50.7	170.3	168.8	0	0	0	0	110.6	F35 I43 D44 F51 L52 Y95 F96 A99	F35-V48 HydrophobicContact CB-CG2 4.2Å; F35-V48 HydrophobicContact CD1-CG2 4.46Å; F35-V48 HydrophobicContact CG-CG2 4.18Å; I43-V48 HydrophobicContact CG2-CG2 3.79Å; D44-V48 PolarHBondContact O-N 2.91Å; V48-F51 WeakPolarHBondContact O-CB 3.37Å; V48-F51 PolarHBondContact O-N 3.19Å; V48-L52 HydrophobicContact CG1-CD1 3.95Å; V48-L52 HydrophobicContact CG1-CG 4.46Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.39Å; V48-Y95 HydrophobicContact CG1-CE1 4.37Å; V48-F96 HydrophobicContact CG1-CD2 3.9Å; V48-A99 HydrophobicContact CG1-CB 4.21Å
49	N	84.7	Confident	78.9	Confident	9 Å²	9	29.3 Å²	29.3	5%	0.048	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-46.5	176.5	-78.9	-29.5	0	0	0	111.5	T45 F51 L52 Y53 G471 D472 F700	T45-N49 WeakPolarHBondContact O-CB 3.49Å; T45-N49 PolarHBondContact O-N 2.71Å; T45-N49 PolarHBondContact O-ND2 2.74Å; N49-F51 PolarHBondContact O-N 3.06Å; N49-L52 PolarHBondContact O-N 2.84Å; N49-L52 VanDerWaalsContact O-N 3.08Å; N49-Y53 HydrophobicContact CB-CD2 4.47Å; N49-Y53 WeakPolarHBondContact O-CB 3.12Å; N49-Y53 VanDerWaalsContact O-CD2 3.24Å; N49-Y53 WeakPolarHBondContact O-CD2 3.22Å; N49-Y53 PolarHBondContact O-N 3.33Å; N49-G471 PolarHBondContact ND2-O 3.27Å; N49-D472 PolarHBondContact ND2-O 2.88Å; N49-F700 HydrophobicContact CB-CE1 4.23Å; N49-F700 HydrophobicContact CB-CE2 3.88Å; N49-F700 HydrophobicContact CB-CZ 3.64Å
50	T	87	Confident	80.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-51.4	-44.9	176.1	-64	0	0	0	0	110.8	V46 S47 T54 L693 H696 R697 F700	V46-T50 VanDerWaalsContact O-CB 3.24Å; V46-T50 WeakPolarHBondContact O-CB 3.31Å; V46-T50 PolarHBondContact O-N 3.34Å; V46-T50 PolarHBondContact O-OG1 3.42Å; S47-T50 PolarHBondContact O-N 2.85Å; T50-T54 WeakPolarHBondContact O-CB 3.49Å; T50-T54 WeakPolarHBondContact O-CG2 3.4Å; T50-T54 PolarHBondContact O-N 3.1Å; T50-T54 PolarHBondContact O-OG1 3.24Å; T50-L693 HydrophobicContact CG2-CD2 4.38Å; T50-H696 VanDerWaalsContact CG2-C 3.46Å; T50-H696 HydrophobicContact CG2-CB 3.92Å; T50-R697 HydrophobicContact CG2-CB 4.01Å; T50-R697 VanDerWaalsContact CG2-N 3.32Å; T50-F700 HydrophobicContact CG2-CB 4.33Å; T50-F700 WeakPolarHBondContact OG1-CD1 3.47Å
51	F	90.1	Very high	82.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-53.4	175.3	-179.3	-86.6	0	0	0	112.1	L28 L31 F32 F35 S47 V48 N49 Y53 T54 Y55 F58 V64 F96	L28-F51 HydrophobicContact CD1-CE2 3.42Å; L28-F51 VanDerWaalsContact CD1-CE2 3.42Å; L28-F51 HydrophobicContact CD1-CZ 3.56Å; L31-F51 HydrophobicContact CD1-CD2 4.33Å; F32-F51 HydrophobicContact CE2-CE2 4.4Å; F32-F51 AromaticContact CE2-CZ 3.94Å; F32-F51 HydrophobicContact CE2-CZ 3.94Å; F32-F51 HydrophobicContact CZ-CE1 4.01Å; F32-F51 AromaticContact CZ-CZ 3.89Å; F32-F51 HydrophobicContact CZ-CZ 3.89Å; F35-F51 HydrophobicContact CE1-CB 4.23Å; F35-F51 HydrophobicContact CE2-CB 3.92Å; F35-F51 HydrophobicContact CE2-CD1 4.28Å; F35-F51 AromaticContact CE2-CD2 3.82Å; F35-F51 HydrophobicContact CE2-CD2 3.82Å; F35-F51 HydrophobicContact CE2-CE2 4.4Å; F35-F51 AromaticContact CE2-CG 3.73Å; F35-F51 HydrophobicContact CE2-CG 3.73Å; F35-F51 HydrophobicContact CZ-CB 3.42Å; F35-F51 VanDerWaalsContact CZ-CB 3.42Å; F35-F51 AromaticContact CZ-CD2 3.59Å; F35-F51 HydrophobicContact CZ-CD2 3.59Å; F35-F51 HydrophobicContact CZ-CE2 4.49Å; F35-F51 AromaticContact CZ-CG 3.61Å; F35-F51 HydrophobicContact CZ-CG 3.61Å; S47-F51 WeakPolarHBondContact O-CB 3.24Å; S47-F51 PolarHBondContact O-N 3.37Å; V48-F51 WeakPolarHBondContact O-CB 3.37Å; V48-F51 PolarHBondContact O-N 3.19Å; N49-F51 PolarHBondContact O-N 3.06Å; F51-Y53 PolarHBondContact O-N 3.48Å; F51-Y53 VanDerWaalsContact O-N 3.16Å; F51-T54 PolarHBondContact O-N 2.86Å; F51-Y55 HydrophobicContact CE1-CG 4.23Å; F51-Y55 WeakPolarHBondContact O-CB 3.38Å; F51-Y55 PolarHBondContact O-N 3.22Å; F51-F58 HydrophobicContact CD2-CE2 4.12Å; F51-F58 HydrophobicContact CD2-CZ 4.04Å; F51-F58 AromaticContact CE2-CE2 3.64Å; F51-F58 HydrophobicContact CE2-CE2 3.64Å; F51-F58 HydrophobicContact CE2-CZ 4.03Å; F51-F58 HydrophobicContact CZ-CE2 4.36Å; F51-V64 HydrophobicContact CE1-CG1 4.13Å; F51-V64 HydrophobicContact CE1-CG2 4.27Å; F51-V64 HydrophobicContact CZ-CG1 4.38Å; F51-V64 HydrophobicContact CZ-CG2 4.02Å; F51-F96 AromaticContact CD1-CE2 3.61Å; F51-F96 HydrophobicContact CD1-CE2 3.61Å; F51-F96 AromaticContact CD1-CZ 3.91Å; F51-F96 HydrophobicContact CD1-CZ 3.91Å; F51-F96 AromaticContact CE1-CE2 3.9Å; F51-F96 HydrophobicContact CE1-CE2 3.9Å; F51-F96 AromaticContact CE1-CZ 3.72Å; F51-F96 HydrophobicContact CE1-CZ 3.72Å
52	L	89.7	Confident	84.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-27.8	-177.2	-70	175.1	0	0	0	113.1	V48 N49 Y55 F96 A99 W100 H105	V48-L52 HydrophobicContact CG1-CD1 3.95Å; V48-L52 HydrophobicContact CG1-CG 4.46Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.39Å; N49-L52 PolarHBondContact O-N 2.84Å; N49-L52 VanDerWaalsContact O-N 3.08Å; L52-Y55 WeakPolarHBondContact O-CD1 3.19Å; L52-Y55 WeakPolarHBondContact O-CE1 3.42Å; L52-F96 HydrophobicContact CD2-CE2 3.69Å; L52-F96 HydrophobicContact CD2-CZ 3.65Å; L52-F96 HydrophobicContact CG-CE2 4.02Å; L52-F96 HydrophobicContact CG-CZ 4.48Å; L52-A99 HydrophobicContact CD1-CB 3.87Å; L52-W100 HydrophobicContact CD1-CB 4.35Å; L52-W100 HydrophobicContact CD2-CB 3.95Å; L52-W100 HydrophobicContact CD2-CD2 3.95Å; L52-W100 HydrophobicContact CD2-CG 3.71Å; L52-H105 VanDerWaalsContact C-CE1 3.42Å; L52-H105 WeakPolarHBondContact CB-CE1 3.39Å; L52-H105 PolarHBondContact O-ND1 2.94Å
53	Y	88.3	Confident	85.6	Confident	12 Å²	12	20.2 Å²	20.2	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-77.7	-24.5	173.8	-87.6	-96.4	0	0	0	113.9	N49 F51 P104 H105 L281 F700 L703	N49-Y53 HydrophobicContact CB-CD2 4.47Å; N49-Y53 WeakPolarHBondContact O-CB 3.12Å; N49-Y53 VanDerWaalsContact O-CD2 3.24Å; N49-Y53 WeakPolarHBondContact O-CD2 3.22Å; N49-Y53 PolarHBondContact O-N 3.33Å; F51-Y53 PolarHBondContact O-N 3.48Å; F51-Y53 VanDerWaalsContact O-N 3.16Å; Y53-P104 HydrophobicContact CE1-CG 4.22Å; Y53-P104 HydrophobicContact CE2-CG 4.22Å; Y53-P104 WeakPolarHBondContact OH-CG 3.5Å; Y53-H105 AromaticContact CD2-CE1 3.09Å; Y53-H105 WeakPolarHBondContact CD2-CE1 3.31Å; Y53-H105 AromaticContact CD2-NE2 3.39Å; Y53-H105 WeakPolarHBondContact CD2-NE2 3.29Å; Y53-H105 AromaticContact CE2-CE1 3.28Å; Y53-H105 WeakPolarHBondContact CE2-CE1 3.08Å; Y53-H105 AromaticContact CE2-NE2 3.23Å; Y53-H105 WeakPolarHBondContact CE2-NE2 3.31Å; Y53-H105 AromaticContact CG-CE1 3.72Å; Y53-L281 HydrophobicContact CE1-CD1 3.79Å; Y53-F700 HydrophobicContact CD1-CD2 4.11Å; Y53-F700 AromaticContact CD2-CD2 3.36Å; Y53-F700 HydrophobicContact CD2-CD2 3.36Å; Y53-F700 AromaticContact CD2-CE2 3.35Å; Y53-F700 HydrophobicContact CD2-CE2 3.35Å; Y53-F700 HydrophobicContact CE1-CD2 4.43Å; Y53-F700 HydrophobicContact CE1-CE2 4.47Å; Y53-F700 AromaticContact CE2-CD2 3.83Å; Y53-F700 HydrophobicContact CE2-CD2 3.83Å; Y53-F700 AromaticContact CE2-CE2 3.37Å; Y53-F700 HydrophobicContact CE2-CE2 3.37Å; Y53-F700 HydrophobicContact CE2-CZ 4.5Å; Y53-F700 AromaticContact CG-CD2 3.54Å; Y53-F700 HydrophobicContact CG-CD2 3.54Å; Y53-F700 HydrophobicContact CG-CE2 4Å; Y53-F700 AromaticContact CZ-CE2 3.93Å; Y53-L703 HydrophobicContact CD1-CB 3.63Å; Y53-L703 HydrophobicContact CD1-CD1 3.86Å; Y53-L703 HydrophobicContact CD1-CG 4.44Å; Y53-L703 HydrophobicContact CE1-CB 3.91Å
54	T	89.6	Confident	86.8	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-122.9	-10.1	-167.3	63.6	0	0	0	0	114.9	T50 F51 R56 L57 L285 H696	T50-T54 WeakPolarHBondContact O-CB 3.49Å; T50-T54 WeakPolarHBondContact O-CG2 3.4Å; T50-T54 PolarHBondContact O-N 3.1Å; T50-T54 PolarHBondContact O-OG1 3.24Å; F51-T54 PolarHBondContact O-N 2.86Å; T54-R56 PolarHBondContact O-N 3.25Å; T54-L57 WeakPolarHBondContact O-CB 3.34Å; T54-L57 WeakPolarHBondContact O-CG 2.97Å; T54-L57 PolarHBondContact O-N 3.5Å; T54-L285 HydrophobicContact CG2-CD1 3.87Å; T54-H696 HydrophobicContact CG2-CB 3.86Å
55	Y	91.4	Very high	87.6	Confident	1 Å²	1	17.6 Å²	17.6	0%	0.004	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-56.3	-32.5	-171.2	77.4	-86.1	0	0	0	113.6	F51 L52 L57 F58 A59 M61 V64 W100 D108	F51-Y55 HydrophobicContact CE1-CG 4.23Å; F51-Y55 WeakPolarHBondContact O-CB 3.38Å; F51-Y55 PolarHBondContact O-N 3.22Å; L52-Y55 WeakPolarHBondContact O-CD1 3.19Å; L52-Y55 WeakPolarHBondContact O-CE1 3.42Å; Y55-L57 PolarHBondContact O-N 3.48Å; Y55-F58 VanDerWaalsContact CA-CZ 3.49Å; Y55-F58 CarbonylContact O-C 3.51Å; Y55-F58 PolarHBondContact O-N 2.93Å; Y55-A59 HydrophobicContact CD2-CB 4.47Å; Y55-A59 PolarHBondContact O-N 3.26Å; Y55-M61 HydrophobicContact CE2-CG 4.22Å; Y55-M61 WeakPolarHBondContact OH-CG 3.22Å; Y55-V64 HydrophobicContact CD2-CG2 3.76Å; Y55-V64 HydrophobicContact CE2-CG2 4.34Å; Y55-V64 HydrophobicContact CG-CG2 4.39Å; Y55-W100 HydrophobicContact CE1-CZ2 4.24Å; Y55-W100 HydrophobicContact CE2-CZ2 4.2Å; Y55-W100 AromaticContact CZ-CZ2 3.73Å; Y55-D108 WeakPolarHBondContact CE1-OD2 3.4Å; Y55-D108 PolarHBondContact OH-OD2 3.39Å
56	R	89.5	Confident	88.3	Confident	62 Å²	62	21.6 Å²	21.6	23%	0.234	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-60.8	-15.2	179.4	-68.1	-178.4	172.5	103.4	-17.5	114.5	T54 F58 A59 D108 N282	T54-R56 PolarHBondContact O-N 3.25Å; R56-F58 VanDerWaalsContact C-N 3.28Å; R56-A59 WeakPolarHBondContact CA-O 3.41Å; R56-D108 IonicContact CZ-OD1 3.11Å; R56-D108 IonicContact CZ-OD2 3.1Å; R56-D108 VanDerWaalsContact NH1-CG 3.25Å; R56-D108 IonicContact NH1-OD1 3.75Å; R56-D108 PolarHBondContact NH1-OD1 3.25Å; R56-D108 IonicContact NH1-OD2 3.19Å; R56-D108 PolarHBondContact NH1-OD2 3.05Å; R56-D108 VanDerWaalsContact NH1-OD2 3.15Å; R56-D108 VanDerWaalsContact NH2-CA 3.28Å; R56-D108 IonicContact NH2-OD1 3.89Å; R56-D108 PolarHBondContact NH2-OD1 3.11Å; R56-D108 IonicContact NH2-OD2 3.71Å; R56-D108 PolarHBondContact NH2-OD2 3.19Å; R56-N282 WeakPolarHBondContact CB-ND2 3.08Å; R56-N282 VanDerWaalsContact CD-ND2 3.28Å; R56-N282 WeakPolarHBondContact CD-ND2 3.41Å
57	L	87.5	Confident	88.8	Confident	33 Å²	33	21 Å²	21	17%	0.173	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-72	-23.7	173	-65.3	177	0	0	0	112.9	T54 Y55 L285 R289	T54-L57 WeakPolarHBondContact O-CB 3.34Å; T54-L57 WeakPolarHBondContact O-CG 2.97Å; T54-L57 PolarHBondContact O-N 3.5Å; Y55-L57 PolarHBondContact O-N 3.48Å; L57-L285 HydrophobicContact CD1-CB 4.4Å; L57-L285 HydrophobicContact CD1-CD1 4.02Å; L57-L285 HydrophobicContact CD2-CB 4.16Å; L57-L285 HydrophobicContact CG-CD1 4.45Å; L57-R289 VanDerWaalsContact CD1-NH2 3.29Å
58	F	87.1	Confident	89.2	Confident	15 Å²	15	20.9 Å²	20.9	7%	0.066	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141	-4.9	-169.5	53.1	-104.2	0	0	0	115.2	L28 F51 Y55 R56 Y529 T682 I691 H696	L28-F58 HydrophobicContact CD1-CE2 4.42Å; F51-F58 HydrophobicContact CD2-CE2 4.12Å; F51-F58 HydrophobicContact CD2-CZ 4.04Å; F51-F58 AromaticContact CE2-CE2 3.64Å; F51-F58 HydrophobicContact CE2-CE2 3.64Å; F51-F58 HydrophobicContact CE2-CZ 4.03Å; F51-F58 HydrophobicContact CZ-CE2 4.36Å; Y55-F58 VanDerWaalsContact CA-CZ 3.49Å; Y55-F58 CarbonylContact O-C 3.51Å; Y55-F58 PolarHBondContact O-N 2.93Å; R56-F58 VanDerWaalsContact C-N 3.28Å; F58-Y529 HydrophobicContact CB-CE1 4.28Å; F58-Y529 VanDerWaalsContact CB-OH 3.31Å; F58-Y529 WeakPolarHBondContact CB-OH 3.5Å; F58-T682 PolarHBondContact O-OG1 2.97Å; F58-I691 HydrophobicContact CB-CD1 4.36Å; F58-I691 HydrophobicContact CB-CG1 4.31Å; F58-I691 HydrophobicContact CD1-CD1 4.47Å; F58-I691 HydrophobicContact CD1-CG1 4.37Å; F58-I691 HydrophobicContact CD1-CG2 3.9Å; F58-I691 HydrophobicContact CD2-CD1 3.42Å; F58-I691 VanDerWaalsContact CD2-CD1 3.42Å; F58-I691 HydrophobicContact CD2-CG1 4.12Å; F58-I691 HydrophobicContact CE1-CG2 3.67Å; F58-I691 HydrophobicContact CE2-CD1 3.68Å; F58-I691 HydrophobicContact CE2-CG2 4.41Å; F58-I691 HydrophobicContact CG-CD1 3.85Å; F58-I691 HydrophobicContact CG-CG1 4.02Å; F58-I691 HydrophobicContact CG-CG2 4.36Å; F58-I691 HydrophobicContact CZ-CD1 4.31Å; F58-I691 HydrophobicContact CZ-CG2 3.92Å; F58-H696 AromaticContact CD1-NE2 3.94Å; F58-H696 AromaticContact CE1-CD2 3.83Å; F58-H696 AromaticContact CE1-NE2 3.81Å
59	A	88.1	Confident	89.4	Confident	12 Å²	12	23 Å²	23	10%	0.099	11%	0.111	C	C	.	.			trans	-149.5	153.5	177.4	0	0	0	0	0	111.1	L28 Y55 R56 L63 V64	L28-A59 HydrophobicContact CD2-CB 4.14Å; Y55-A59 HydrophobicContact CD2-CB 4.47Å; Y55-A59 PolarHBondContact O-N 3.26Å; R56-A59 WeakPolarHBondContact CA-O 3.41Å; A59-L63 HydrophobicContact CB-CD2 4.2Å; A59-V64 HydrophobicContact CB-CG2 3.8Å
60	D	89.8	Confident	89.6	Confident	52 Å²	52	27.6 Å²	27.6	28%	0.278	13%	0.131	S	C	.	.			trans	-101.1	170.1	167.4	59.5	23.4	0	0	0	110.8	E62 L63 V64 R679	D60-E62 VanDerWaalsContact C-N 3.27Å; D60-E62 PolarHBondContact O-N 3.32Å; D60-L63 PolarHBondContact O-N 2.95Å; D60-L63 WeakPolarHBondContact OD1-CB 3.47Å; D60-L63 PolarHBondContact OD1-N 3.26Å; D60-V64 WeakPolarHBondContact O-CG2 3.21Å; D60-V64 PolarHBondContact O-N 2.93Å; D60-R679 IonicContact OD2-CZ 2.87Å; D60-R679 IonicContact OD2-NE 3.69Å; D60-R679 IonicContact OD2-NH1 3.63Å
61	M	90.2	Very high	89.6	Confident	19 Å²	19	28.4 Å²	28.4	9%	0.094	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-36.7	-178.7	-68.7	-179.5	-82.2	0	0	112.2	Y55 V64 L65 W100 F109 K114 H117	Y55-M61 HydrophobicContact CE2-CG 4.22Å; Y55-M61 WeakPolarHBondContact OH-CG 3.22Å; M61-V64 PolarHBondContact O-N 3.48Å; M61-L65 WeakPolarHBondContact O-CB 3.21Å; M61-L65 VanDerWaalsContact O-CG 3.26Å; M61-L65 WeakPolarHBondContact O-CG 3.36Å; M61-L65 PolarHBondContact O-N 2.91Å; M61-W100 HydrophobicContact CB-CH2 4.39Å; M61-W100 HydrophobicContact CB-CZ2 4.47Å; M61-W100 HydrophobicContact CG-CH2 4.31Å; M61-W100 HydrophobicContact CG-CZ2 3.9Å; M61-F109 HydrophobicContact SD-CE1 4.42Å; M61-K114 HydrophobicContact CE-CB 4.2Å; M61-K114 HydrophobicContact CE-CD 3.65Å; M61-K114 HydrophobicContact CE-CG 3.79Å; M61-H117 HydrophobicContact CB-CB 4.45Å; M61-H117 VanDerWaalsContact CE-CD2 3.4Å; M61-H117 WeakPolarHBondContact CE-CD2 3.33Å; M61-H117 HydrophobicContact SD-CB 4.4Å
62	E	91.4	Very high	89.5	Confident	94 Å²	94	28.4 Å²	28.4	44%	0.439	13%	0.134	S	C	.	.	H	α-helix	trans	-59.6	-49	177.4	-64.5	179.9	167.1	0	0	110.2	D60 L65 E66 H117 R679	D60-E62 VanDerWaalsContact C-N 3.27Å; D60-E62 PolarHBondContact O-N 3.32Å; E62-L65 PolarHBondContact O-N 2.69Å; E62-E66 VanDerWaalsContact O-CB 3.3Å; E62-E66 WeakPolarHBondContact O-CB 3.24Å; E62-E66 PolarHBondContact O-N 2.79Å; E62-H117 VanDerWaalsContact CG-CE1 3.43Å; E62-H117 WeakPolarHBondContact CG-CE1 3.46Å; E62-H117 IonicContact OE1-CE1 3.24Å; E62-H117 PolarHBondContact OE1-CE1 2.88Å; E62-R679 IonicContact OE2-NH1 4Å; E62-R679 PolarHBondContact OE2-NH1 3.21Å
63	L	90.5	Very high	89.3	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-42.3	-178.9	179.7	59.3	0	0	0	112.6	L28 A59 D60 E66 V67 I683	L28-L63 HydrophobicContact CD2-CD2 3.89Å; L28-L63 HydrophobicContact CD2-CG 3.79Å; A59-L63 HydrophobicContact CB-CD2 4.2Å; D60-L63 PolarHBondContact O-N 2.95Å; D60-L63 WeakPolarHBondContact OD1-CB 3.47Å; D60-L63 PolarHBondContact OD1-N 3.26Å; L63-E66 PolarHBondContact O-N 3.24Å; L63-V67 HydrophobicContact CD1-CG2 3.99Å; L63-V67 HydrophobicContact CG-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CB 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.22Å; L63-V67 PolarHBondContact O-N 2.66Å; L63-I683 HydrophobicContact CD1-CD1 3.27Å; L63-I683 HydrophobicContact CD1-CG1 3.63Å; L63-I683 HydrophobicContact CD2-CD1 4.33Å; L63-I683 HydrophobicContact CD2-CG1 4.05Å; L63-I683 HydrophobicContact CG-CD1 4.42Å; L63-I683 HydrophobicContact CG-CG1 4.41Å
64	V	91.8	Very high	89.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-46.2	177.5	175.2	0	0	0	0	110.4	F32 F51 Y55 A59 D60 M61 V67 V68 F96 W100	F32-V64 HydrophobicContact CZ-CG1 4.02Å; F51-V64 HydrophobicContact CE1-CG1 4.13Å; F51-V64 HydrophobicContact CE1-CG2 4.27Å; F51-V64 HydrophobicContact CZ-CG1 4.38Å; F51-V64 HydrophobicContact CZ-CG2 4.02Å; Y55-V64 HydrophobicContact CD2-CG2 3.76Å; Y55-V64 HydrophobicContact CE2-CG2 4.34Å; Y55-V64 HydrophobicContact CG-CG2 4.39Å; A59-V64 HydrophobicContact CB-CG2 3.8Å; D60-V64 WeakPolarHBondContact O-CG2 3.21Å; D60-V64 PolarHBondContact O-N 2.93Å; M61-V64 PolarHBondContact O-N 3.48Å; V64-V67 PolarHBondContact O-N 2.93Å; V64-V68 HydrophobicContact CG1-CG2 4.42Å; V64-V68 WeakPolarHBondContact O-CB 3.46Å; V64-V68 VanDerWaalsContact O-CG2 3.24Å; V64-V68 WeakPolarHBondContact O-CG2 3.47Å; V64-V68 PolarHBondContact O-N 2.99Å; V64-F96 HydrophobicContact CG1-CE1 4.16Å; V64-F96 HydrophobicContact CG1-CZ 4.04Å; V64-W100 HydrophobicContact CB-CH2 3.9Å; V64-W100 HydrophobicContact CB-CZ3 4.22Å; V64-W100 HydrophobicContact CG1-CH2 3.7Å; V64-W100 HydrophobicContact CG1-CZ3 3.57Å
65	L	91.8	Very high	88.8	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-40.1	177.2	-71	174.8	0	0	0	112.1	M61 E62 N69 L97 W100 H117 C120 L121 I124	M61-L65 WeakPolarHBondContact O-CB 3.21Å; M61-L65 VanDerWaalsContact O-CG 3.26Å; M61-L65 WeakPolarHBondContact O-CG 3.36Å; M61-L65 PolarHBondContact O-N 2.91Å; E62-L65 PolarHBondContact O-N 2.69Å; L65-N69 WeakPolarHBondContact O-CB 3.43Å; L65-N69 PolarHBondContact O-N 3.32Å; L65-L97 HydrophobicContact CD2-CD2 4.39Å; L65-W100 HydrophobicContact CD2-CZ3 3.83Å; L65-W100 HydrophobicContact CG-CH2 4.36Å; L65-W100 HydrophobicContact CG-CZ3 4.13Å; L65-H117 HydrophobicContact CD1-CB 4.45Å; L65-C120 HydrophobicContact CD1-CB 4.45Å; L65-L121 HydrophobicContact CD1-CB 4.5Å; L65-L121 HydrophobicContact CD2-CB 4.21Å; L65-L121 HydrophobicContact CD2-CD1 3.82Å; L65-L121 HydrophobicContact CD2-CG 4.5Å; L65-I124 HydrophobicContact CB-CD1 3.89Å; L65-I124 HydrophobicContact CD2-CD1 4.25Å; L65-I124 HydrophobicContact CG-CD1 4.48Å
66	E	89.9	Confident	88.2	Confident	108 Å²	108	34.7 Å²	34.7	51%	0.505	17%	0.166	S	C	.	.	H	α-helix	trans	-61	-49.3	176	-175.4	-176.8	170.4	0	0	111.4	E62 L63 N69 K70	E62-E66 VanDerWaalsContact O-CB 3.3Å; E62-E66 WeakPolarHBondContact O-CB 3.24Å; E62-E66 PolarHBondContact O-N 2.79Å; L63-E66 PolarHBondContact O-N 3.24Å; E66-N69 PolarHBondContact O-N 3.36Å; E66-K70 VanDerWaalsContact O-CB 3.3Å; E66-K70 WeakPolarHBondContact O-CB 3.11Å; E66-K70 PolarHBondContact O-N 3.19Å
67	V	88.9	Confident	87.8	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-44.5	-179.5	170.4	0	0	0	0	111.4	L28 V29 F32 L63 V64 K70 K71 I683	L28-V67 HydrophobicContact CD2-CB 4.41Å; L28-V67 HydrophobicContact CD2-CG2 3.89Å; L28-V67 HydrophobicContact CG-CG1 4.42Å; L28-V67 HydrophobicContact CG-CG2 4.41Å; V29-V67 HydrophobicContact CG2-CG1 4.12Å; F32-V67 HydrophobicContact CD2-CG1 3.84Å; F32-V67 HydrophobicContact CE2-CG1 4.21Å; L63-V67 HydrophobicContact CD1-CG2 3.99Å; L63-V67 HydrophobicContact CG-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CB 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.22Å; L63-V67 PolarHBondContact O-N 2.66Å; V64-V67 PolarHBondContact O-N 2.93Å; V67-K70 PolarHBondContact O-N 3.37Å; V67-K71 WeakPolarHBondContact O-CB 3.07Å; V67-K71 WeakPolarHBondContact O-CG 3.23Å; V67-K71 PolarHBondContact O-N 3.04Å; V67-I683 HydrophobicContact CG2-CG2 4.39Å
68	V	90.1	Very high	87.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-45.1	177.7	169.3	0	0	0	0	110.8	F32 V64 K71 F72 F96 L97 W128	F32-V68 HydrophobicContact CD1-CG2 4.06Å; F32-V68 HydrophobicContact CE1-CG2 3.39Å; F32-V68 HydrophobicContact CE2-CG2 4.03Å; F32-V68 HydrophobicContact CZ-CG2 3.39Å; V64-V68 HydrophobicContact CG1-CG2 4.42Å; V64-V68 WeakPolarHBondContact O-CB 3.46Å; V64-V68 VanDerWaalsContact O-CG2 3.24Å; V64-V68 WeakPolarHBondContact O-CG2 3.47Å; V64-V68 PolarHBondContact O-N 2.99Å; V68-K71 PolarHBondContact O-N 3.16Å; V68-F72 PolarHBondContact O-N 3.36Å; V68-F96 HydrophobicContact CG2-CD1 4.3Å; V68-F96 HydrophobicContact CG2-CE1 4.02Å; V68-L97 HydrophobicContact CG1-CD1 4.35Å; V68-L97 HydrophobicContact CG1-CD2 4.4Å; V68-L97 HydrophobicContact CG1-CG 4.47Å; V68-W128 HydrophobicContact CG1-CH2 3.57Å; V68-W128 HydrophobicContact CG1-CZ2 3.92Å
69	N	90.6	Very high	86.7	Confident	45 Å²	45	41.9 Å²	41.9	24%	0.241	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-45.4	176.9	-173.8	46.3	0	0	0	112.2	L65 E66 K71 F72 W73 I124 W128	L65-N69 WeakPolarHBondContact O-CB 3.43Å; L65-N69 PolarHBondContact O-N 3.32Å; E66-N69 PolarHBondContact O-N 3.36Å; N69-K71 VanDerWaalsContact C-N 3.35Å; N69-K71 PolarHBondContact O-N 3.15Å; N69-F72 WeakPolarHBondContact O-CB 3.42Å; N69-F72 PolarHBondContact O-N 3.26Å; N69-W73 PolarHBondContact O-N 3.2Å; N69-W73 PolarHBondContact OD1-NE1 2.86Å; N69-W73 VanDerWaalsContact OD1-NE1 3.16Å; N69-I124 HydrophobicContact CB-CD1 4.26Å; N69-I124 HydrophobicContact CB-CG1 4.39Å; N69-I124 HydrophobicContact CB-CG2 4.12Å; N69-W128 PolarHBondContact OD1-NE1 3.45Å
70	K	88.4	Confident	86.2	Confident	107 Å²	107	48.9 Å²	48.9	47%	0.465	26%	0.257	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.3	-175.4	-175.5	172.9	-168.4	0	111.1	E66 V67 F72 W73 D74	E66-K70 VanDerWaalsContact O-CB 3.3Å; E66-K70 WeakPolarHBondContact O-CB 3.11Å; E66-K70 PolarHBondContact O-N 3.19Å; V67-K70 PolarHBondContact O-N 3.37Å; K70-F72 VanDerWaalsContact C-N 3.34Å; K70-F72 PolarHBondContact O-N 3.31Å; K70-W73 PolarHBondContact O-N 3.29Å; K70-D74 VanDerWaalsContact O-CG 3.32Å; K70-D74 PolarHBondContact O-N 2.92Å
71	K	86.5	Confident	85.5	Confident	17 Å²	17	48.5 Å²	48.5	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-36.8	178.6	-81.7	-160.5	166.4	-146.5	0	113.9	V29 F32 D33 V67 V68 N69 T75 F93	V29-K71 VanDerWaalsContact CG1-CE 3.47Å; V29-K71 WeakPolarHBondContact O-CE 3.45Å; V29-K71 PolarHBondContact O-NZ 2.81Å; F32-K71 HydrophobicContact CB-CD 3.71Å; D33-K71 IonicContact OD1-NZ 3.99Å; D33-K71 PolarHBondContact OD1-NZ 3.48Å; D33-K71 IonicContact OD2-NZ 3.59Å; D33-K71 PolarHBondContact OD2-NZ 3.06Å; V67-K71 WeakPolarHBondContact O-CB 3.07Å; V67-K71 WeakPolarHBondContact O-CG 3.23Å; V67-K71 PolarHBondContact O-N 3.04Å; V68-K71 PolarHBondContact O-N 3.16Å; N69-K71 VanDerWaalsContact C-N 3.35Å; N69-K71 PolarHBondContact O-N 3.15Å; K71-T75 VanDerWaalsContact O-CB 3.32Å; K71-T75 WeakPolarHBondContact O-CB 3.43Å; K71-T75 PolarHBondContact O-N 3.04Å; K71-T75 PolarHBondContact O-OG1 2.74Å; K71-F93 HydrophobicContact CB-CE1 4.45Å; K71-F93 HydrophobicContact CB-CE2 4.11Å; K71-F93 HydrophobicContact CB-CZ 3.7Å; K71-F93 HydrophobicContact CD-CZ 4.18Å
72	F	87.6	Confident	84.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-52.6	172.2	172.5	-91.8	0	0	0	110.4	V68 N69 K70 D74 T75 C76 I90 F93 W128 V131 F132 M183	V68-F72 PolarHBondContact O-N 3.36Å; N69-F72 WeakPolarHBondContact O-CB 3.42Å; N69-F72 PolarHBondContact O-N 3.26Å; K70-F72 VanDerWaalsContact C-N 3.34Å; K70-F72 PolarHBondContact O-N 3.31Å; F72-D74 PolarHBondContact O-N 3.03Å; F72-T75 WeakPolarHBondContact O-CB 3.12Å; F72-T75 PolarHBondContact O-N 3.14Å; F72-C76 WeakPolarHBondContact O-CB 3.37Å; F72-C76 PolarHBondContact O-N 3.05Å; F72-C76 PolarHBondContact O-SG 3.03Å; F72-C76 VanDerWaalsContact O-SG 3.34Å; F72-I90 HydrophobicContact CD2-CG1 4.17Å; F72-I90 HydrophobicContact CE2-CD1 4.17Å; F72-I90 HydrophobicContact CE2-CG1 4.02Å; F72-I90 HydrophobicContact CE2-CG2 4.18Å; F72-F93 HydrophobicContact CB-CD2 4.41Å; F72-W128 HydrophobicContact CB-CD2 4.3Å; F72-W128 HydrophobicContact CB-CH2 4.05Å; F72-W128 HydrophobicContact CB-CZ2 3.41Å; F72-W128 VanDerWaalsContact CB-CZ2 3.41Å; F72-W128 AromaticContact CD1-CD1 3.32Å; F72-W128 AromaticContact CD1-CD2 3.96Å; F72-W128 HydrophobicContact CD1-CD2 3.96Å; F72-W128 AromaticContact CD1-CE2 3.7Å; F72-W128 AromaticContact CD1-CG 3.76Å; F72-W128 HydrophobicContact CD1-CG 3.76Å; F72-W128 HydrophobicContact CD1-CZ2 4.46Å; F72-W128 AromaticContact CD1-NE1 3.29Å; F72-W128 VanDerWaalsContact CD1-NE1 3.29Å; F72-W128 AromaticContact CD2-CD2 3.66Å; F72-W128 HydrophobicContact CD2-CD2 3.66Å; F72-W128 AromaticContact CD2-CE2 3.82Å; F72-W128 AromaticContact CD2-CE3 3.86Å; F72-W128 HydrophobicContact CD2-CE3 3.86Å; F72-W128 HydrophobicContact CD2-CG 4.07Å; F72-W128 HydrophobicContact CD2-CH2 4.31Å; F72-W128 HydrophobicContact CD2-CZ2 4.16Å; F72-W128 HydrophobicContact CD2-CZ3 4.18Å; F72-W128 HydrophobicContact CE1-CB 3.97Å; F72-W128 AromaticContact CE1-CD1 3.39Å; F72-W128 HydrophobicContact CE1-CD2 4.18Å; F72-W128 AromaticContact CE1-CG 3.58Å; F72-W128 HydrophobicContact CE1-CG 3.58Å; F72-W128 AromaticContact CE1-NE1 3.88Å; F72-W128 HydrophobicContact CE2-CB 4.11Å; F72-W128 AromaticContact CE2-CD2 3.89Å; F72-W128 HydrophobicContact CE2-CD2 3.89Å; F72-W128 HydrophobicContact CE2-CE3 4.09Å; F72-W128 AromaticContact CE2-CG 3.92Å; F72-W128 HydrophobicContact CE2-CG 3.92Å; F72-W128 AromaticContact CG-CD1 3.86Å; F72-W128 AromaticContact CG-CD2 3.69Å; F72-W128 HydrophobicContact CG-CD2 3.69Å; F72-W128 AromaticContact CG-CE2 3.39Å; F72-W128 HydrophobicContact CG-CE3 4.3Å; F72-W128 AromaticContact CG-CG 3.99Å; F72-W128 HydrophobicContact CG-CG 3.99Å; F72-W128 HydrophobicContact CG-CH2 4.35Å; F72-W128 AromaticContact CG-CZ2 3.77Å; F72-W128 HydrophobicContact CG-CZ2 3.77Å; F72-W128 AromaticContact CG-NE1 3.51Å; F72-W128 HydrophobicContact CZ-CB 3.69Å; F72-W128 AromaticContact CZ-CD1 3.97Å; F72-W128 HydrophobicContact CZ-CD2 4.14Å; F72-W128 AromaticContact CZ-CG 3.66Å; F72-W128 HydrophobicContact CZ-CG 3.66Å; F72-V131 HydrophobicContact CE1-CG2 4.25Å; F72-V131 HydrophobicContact CZ-CG2 4.45Å; F72-F132 HydrophobicContact CZ-CE2 4.4Å; F72-M183 HydrophobicContact CE2-CE 3.94Å; F72-M183 HydrophobicContact CZ-CE 4.42Å
73	W	86.2	Confident	84.1	Confident	47 Å²	47	48.7 Å²	48.7	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-40.4	-179.9	-71.3	112.7	0	0	0	113.2	N69 K70 T75 C76 L77 V131 N160 A163	N69-W73 PolarHBondContact O-N 3.2Å; N69-W73 PolarHBondContact OD1-NE1 2.86Å; N69-W73 VanDerWaalsContact OD1-NE1 3.16Å; K70-W73 PolarHBondContact O-N 3.29Å; W73-T75 VanDerWaalsContact C-N 3.32Å; W73-T75 PolarHBondContact O-N 3Å; W73-C76 WeakPolarHBondContact O-CB 3.33Å; W73-C76 PolarHBondContact O-N 3.47Å; W73-L77 WeakPolarHBondContact O-CB 3.46Å; W73-L77 VanDerWaalsContact O-CG 3.3Å; W73-L77 WeakPolarHBondContact O-CG 3.47Å; W73-L77 PolarHBondContact O-N 2.87Å; W73-V131 HydrophobicContact CH2-CG2 3.23Å; W73-V131 HydrophobicContact CZ2-CG2 4.22Å; W73-V131 HydrophobicContact CZ3-CG2 3.55Å; W73-N160 VanDerWaalsContact CH2-ND2 3.34Å; W73-N160 WeakPolarHBondContact CH2-ND2 3.35Å; W73-A163 HydrophobicContact CZ3-CB 4.12Å
74	D	84.5	Confident	83.3	Confident	86 Å²	86	52.1 Å²	52.1	46%	0.46	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-39.8	175.8	-70	-18.9	0	0	0	111.2	K70 F72 S78	K70-D74 VanDerWaalsContact O-CG 3.32Å; K70-D74 PolarHBondContact O-N 2.92Å; F72-D74 PolarHBondContact O-N 3.03Å; D74-S78 WeakPolarHBondContact O-CB 3.29Å; D74-S78 PolarHBondContact O-N 2.83Å
75	T	82.4	Confident	82.6	Confident	13 Å²	13	56.6 Å²	56.6	8%	0.08	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-43.9	176.2	-58.4	0	0	0	0	111.4	K71 F72 W73 I81 K86 I89	K71-T75 VanDerWaalsContact O-CB 3.32Å; K71-T75 WeakPolarHBondContact O-CB 3.43Å; K71-T75 PolarHBondContact O-N 3.04Å; K71-T75 PolarHBondContact O-OG1 2.74Å; F72-T75 WeakPolarHBondContact O-CB 3.12Å; F72-T75 PolarHBondContact O-N 3.14Å; W73-T75 VanDerWaalsContact C-N 3.32Å; W73-T75 PolarHBondContact O-N 3Å; T75-I81 HydrophobicContact CG2-CD1 4.26Å; T75-K86 HydrophobicContact CG2-CB 4.27Å; T75-K86 HydrophobicContact CG2-CG 4.15Å; T75-K86 WeakPolarHBondContact O-CD 3.15Å; T75-K86 VanDerWaalsContact O-CE 3.24Å; T75-K86 WeakPolarHBondContact O-CE 3.22Å; T75-I89 HydrophobicContact CG2-CB 4.02Å; T75-I89 HydrophobicContact CG2-CD1 3.78Å; T75-I89 HydrophobicContact CG2-CG2 3.78Å
76	C	79.9	Confident	82.2	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-49.4	177.6	-79.8	0	0	0	0	111.8	F72 W73 K86 V167	F72-C76 WeakPolarHBondContact O-CB 3.37Å; F72-C76 PolarHBondContact O-N 3.05Å; F72-C76 PolarHBondContact O-SG 3.03Å; F72-C76 VanDerWaalsContact O-SG 3.34Å; W73-C76 WeakPolarHBondContact O-CB 3.33Å; W73-C76 PolarHBondContact O-N 3.47Å; C76-K86 PolarHBondContact O-NZ 3.08Å; C76-V167 HydrophobicContact CB-CB 4.24Å; C76-V167 HydrophobicContact CB-CG1 3.32Å; C76-V167 HydrophobicContact CB-CG2 3.88Å; C76-V167 VanDerWaalsContact SG-CG1 3.53Å
77	L	80.7	Confident	81.7	Confident	100 Å²	100	53.1 Å²	53.1	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-83.3	-16.3	-174.4	-63.9	171.5	0	0	0	113.9	W73 S79 V167	W73-L77 WeakPolarHBondContact O-CB 3.46Å; W73-L77 VanDerWaalsContact O-CG 3.3Å; W73-L77 WeakPolarHBondContact O-CG 3.47Å; W73-L77 PolarHBondContact O-N 2.87Å; L77-S79 PolarHBondContact O-N 3.46Å; L77-V167 HydrophobicContact CD2-CG2 3.95Å
78	S	79.3	Confident	81.2	Confident	36 Å²	36	53.2 Å²	53.2	25%	0.252	29%	0.293	S	S	.	.			trans	-67.6	123.1	178.8	179.4	0	0	0	0	111.7	D74 L80 K86	D74-S78 WeakPolarHBondContact O-CB 3.29Å; D74-S78 PolarHBondContact O-N 2.83Å; S78-L80 VanDerWaalsContact C-N 3.27Å; S78-L80 PolarHBondContact OG-N 2.92Å; S78-K86 WeakPolarHBondContact O-CE 3.42Å; S78-K86 PolarHBondContact O-NZ 3.45Å
79	S	72.6	Confident	80.9	Confident	124 Å²	124	54.5 Å²	54.5	87%	0.867	30%	0.3	S	S	*	.	S	Bend	trans	-77.5	-13.5	169.9	57.1	0	0	0	0	113	L77	L77-S79 PolarHBondContact O-N 3.46Å
80	L	76.9	Confident	80.6	Confident	159 Å²	159	52.4 Å²	52.4	83%	0.832	29%	0.288	S	S	*	.	S	Bend	trans	-82.9	-20.2	-173.6	-154.2	75.8	0	0	0	113	S78	S78-L80 VanDerWaalsContact C-N 3.27Å; S78-L80 PolarHBondContact OG-N 2.92Å
81	I	75.1	Confident	80.3	Confident	44 Å²	44	48.8 Å²	48.8	23%	0.226	28%	0.277	C	S	.	.	S	Bend	trans	-95.7	122.9	-175.1	-57.9	170.7	0	0	0	109.3	T75 W85 K86 I89	T75-I81 HydrophobicContact CG2-CD1 4.26Å; I81-W85 HydrophobicContact CG2-CB 3.85Å; I81-K86 HydrophobicContact CB-CG 4.11Å; I81-K86 HydrophobicContact CG2-CG 3.7Å; I81-K86 VanDerWaalsContact O-CE 3.28Å; I81-K86 WeakPolarHBondContact O-CE 3.39Å; I81-I89 HydrophobicContact CD1-CD1 4.4Å; I81-I89 HydrophobicContact CG2-CD1 3.95Å
82	P	76.3	Confident	80.2	Confident	59 Å²	59	48.3 Å²	48.3	38%	0.383	28%	0.275	S	S	.	.			trans	-55.6	145	174	-24.8	33.9	0	0	0	112.5	S84 W85 K86	P82-S84 VanDerWaalsContact C-N 3.28Å; P82-S84 PolarHBondContact O-N 3.33Å; P82-W85 HydrophobicContact CB-CG 4.37Å; P82-W85 HydrophobicContact CG-CD2 4.16Å; P82-W85 HydrophobicContact CG-CE3 4.23Å; P82-W85 HydrophobicContact CG-CG 4.45Å; P82-W85 WeakPolarHBondContact O-CB 3.42Å; P82-W85 PolarHBondContact O-N 3.41Å; P82-K86 PolarHBondContact O-N 2.95Å
83	T	75.8	Confident	80.2	Confident	58 Å²	58	48.6 Å²	48.6	36%	0.356	28%	0.277	S	S	.	.	H	α-helix	trans	-57	-38.9	-177.6	49.4	0	0	0	0	113.1	W85 K86 V87 C169	T83-W85 VanDerWaalsContact C-N 3.29Å; T83-W85 PolarHBondContact O-N 2.88Å; T83-K86 PolarHBondContact O-N 2.81Å; T83-V87 PolarHBondContact O-N 2.92Å; T83-C169 VanDerWaalsContact CG2-O 3.32Å; T83-C169 WeakPolarHBondContact CG2-O 3.44Å
84	S	74.5	Confident	80.2	Confident	79 Å²	79	46.8 Å²	46.8	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-60.7	-36.9	175.4	57.2	0	0	0	0	112.9	P82 G88	P82-S84 VanDerWaalsContact C-N 3.28Å; P82-S84 PolarHBondContact O-N 3.33Å; S84-G88 PolarHBondContact O-N 3.21Å
85	W	77.1	Confident	80.2	Confident	94 Å²	94	44.7 Å²	44.7	36%	0.356	26%	0.256	S	S	.	.	H	α-helix	trans	-76.3	-36.3	177.3	-67.8	5.9	0	0	0	111.7	E39 I81 P82 T83 V87 G88 I89	E39-W85 HydrophobicContact CG-CZ2 4.13Å; I81-W85 HydrophobicContact CG2-CB 3.85Å; P82-W85 HydrophobicContact CB-CG 4.37Å; P82-W85 HydrophobicContact CG-CD2 4.16Å; P82-W85 HydrophobicContact CG-CE3 4.23Å; P82-W85 HydrophobicContact CG-CG 4.45Å; P82-W85 WeakPolarHBondContact O-CB 3.42Å; P82-W85 PolarHBondContact O-N 3.41Å; T83-W85 VanDerWaalsContact C-N 3.29Å; T83-W85 PolarHBondContact O-N 2.88Å; W85-V87 VanDerWaalsContact C-N 3.3Å; W85-V87 PolarHBondContact O-N 2.88Å; W85-G88 PolarHBondContact O-N 3.47Å; W85-I89 WeakPolarHBondContact O-CD1 3.5Å; W85-I89 VanDerWaalsContact O-CG1 3.26Å; W85-I89 WeakPolarHBondContact O-CG1 3.39Å; W85-I89 PolarHBondContact O-N 2.85Å
86	K	82	Confident	80.5	Confident	14 Å²	14	44.2 Å²	44.2	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-45.9	174.6	-66.6	-170.3	-179.7	-169	0	111.4	T75 C76 S78 I81 P82 T83 G88 I89 I90 V167 L168	T75-K86 HydrophobicContact CG2-CB 4.27Å; T75-K86 HydrophobicContact CG2-CG 4.15Å; T75-K86 WeakPolarHBondContact O-CD 3.15Å; T75-K86 VanDerWaalsContact O-CE 3.24Å; T75-K86 WeakPolarHBondContact O-CE 3.22Å; C76-K86 PolarHBondContact O-NZ 3.08Å; S78-K86 WeakPolarHBondContact O-CE 3.42Å; S78-K86 PolarHBondContact O-NZ 3.45Å; I81-K86 HydrophobicContact CB-CG 4.11Å; I81-K86 HydrophobicContact CG2-CG 3.7Å; I81-K86 VanDerWaalsContact O-CE 3.28Å; I81-K86 WeakPolarHBondContact O-CE 3.39Å; P82-K86 PolarHBondContact O-N 2.95Å; T83-K86 PolarHBondContact O-N 2.81Å; K86-G88 PolarHBondContact O-N 3.39Å; K86-I89 PolarHBondContact O-N 3.46Å; K86-I90 WeakPolarHBondContact O-CB 3.48Å; K86-I90 VanDerWaalsContact O-CG1 3.24Å; K86-I90 WeakPolarHBondContact O-CG1 3.47Å; K86-I90 PolarHBondContact O-N 3.33Å; K86-V167 PolarHBondContact NZ-O 3.08Å; K86-L168 HydrophobicContact CB-CD2 3.83Å; K86-L168 HydrophobicContact CD-CD2 3.71Å; K86-L168 HydrophobicContact CG-CD2 4.43Å
87	V	79.9	Confident	81	Confident	26 Å²	26	44.3 Å²	44.3	16%	0.158	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-49.8	177.3	174.5	0	0	0	0	111.1	T83 W85 I89 I90 S91 I171 V175 V179	T83-V87 PolarHBondContact O-N 2.92Å; W85-V87 VanDerWaalsContact C-N 3.3Å; W85-V87 PolarHBondContact O-N 2.88Å; V87-I89 PolarHBondContact O-N 2.91Å; V87-I90 PolarHBondContact O-N 2.77Å; V87-S91 PolarHBondContact O-N 2.78Å; V87-S91 PolarHBondContact O-OG 2.98Å; V87-I171 HydrophobicContact CG2-CD1 3.49Å; V87-I171 VanDerWaalsContact CG2-CD1 3.49Å; V87-I171 HydrophobicContact CG2-CG1 4.47Å; V87-V175 HydrophobicContact CB-CG1 4.45Å; V87-V175 HydrophobicContact CG1-CG1 3.67Å; V87-V175 HydrophobicContact CG2-CG1 3.95Å; V87-V179 HydrophobicContact CG1-CG2 4.04Å
88	G	79.6	Confident	81.4	Confident	8 Å²	8	39.6 Å²	39.6	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-36.9	-179.5	0	0	0	0	0	113.6	G40 S84 W85 K86 S92	G40-G88 VanDerWaalsContact O-CA 3.31Å; G40-G88 WeakPolarHBondContact O-CA 3.19Å; S84-G88 PolarHBondContact O-N 3.21Å; W85-G88 PolarHBondContact O-N 3.47Å; K86-G88 PolarHBondContact O-N 3.39Å; G88-S92 WeakPolarHBondContact O-CB 3.21Å; G88-S92 PolarHBondContact O-N 3.14Å; G88-S92 PolarHBondContact O-OG 2.92Å
89	I	82.7	Confident	81.7	Confident	28 Å²	28	38 Å²	38	14%	0.144	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-47.2	172.1	-67.3	156.9	0	0	0	110.5	V36 T75 I81 W85 K86 V87 S92 F93	V36-I89 HydrophobicContact CG1-CB 4.26Å; V36-I89 HydrophobicContact CG1-CG1 3.7Å; V36-I89 HydrophobicContact CG2-CG2 4.38Å; T75-I89 HydrophobicContact CG2-CB 4.02Å; T75-I89 HydrophobicContact CG2-CD1 3.78Å; T75-I89 HydrophobicContact CG2-CG2 3.78Å; I81-I89 HydrophobicContact CD1-CD1 4.4Å; I81-I89 HydrophobicContact CG2-CD1 3.95Å; W85-I89 WeakPolarHBondContact O-CD1 3.5Å; W85-I89 VanDerWaalsContact O-CG1 3.26Å; W85-I89 WeakPolarHBondContact O-CG1 3.39Å; W85-I89 PolarHBondContact O-N 2.85Å; K86-I89 PolarHBondContact O-N 3.46Å; V87-I89 PolarHBondContact O-N 2.91Å; I89-S92 WeakPolarHBondContact O-CB 3.41Å; I89-S92 PolarHBondContact O-N 3.33Å; I89-S92 VanDerWaalsContact O-N 3.15Å; I89-F93 HydrophobicContact CG2-CD2 4.01Å; I89-F93 HydrophobicContact CG2-CE2 3.35Å; I89-F93 HydrophobicContact CG2-CZ 3.68Å; I89-F93 PolarHBondContact O-N 3.43Å
90	I	83.9	Confident	82.5	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-49.7	179.6	-69.5	168.6	0	0	0	110.6	F72 K86 V87 S92 F93 L94 F132 V179 M183	F72-I90 HydrophobicContact CD2-CG1 4.17Å; F72-I90 HydrophobicContact CE2-CD1 4.17Å; F72-I90 HydrophobicContact CE2-CG1 4.02Å; F72-I90 HydrophobicContact CE2-CG2 4.18Å; K86-I90 WeakPolarHBondContact O-CB 3.48Å; K86-I90 VanDerWaalsContact O-CG1 3.24Å; K86-I90 WeakPolarHBondContact O-CG1 3.47Å; K86-I90 PolarHBondContact O-N 3.33Å; V87-I90 PolarHBondContact O-N 2.77Å; I90-S92 PolarHBondContact O-N 3.24Å; I90-F93 PolarHBondContact O-N 2.92Å; I90-L94 HydrophobicContact CG2-CD1 4.24Å; I90-L94 HydrophobicContact CG2-CG 4.43Å; I90-L94 WeakPolarHBondContact O-CG 3.23Å; I90-L94 PolarHBondContact O-N 3.16Å; I90-F132 HydrophobicContact CD1-CZ 4.07Å; I90-V179 HydrophobicContact CG2-CG1 4.01Å; I90-M183 HydrophobicContact CG2-CE 3.39Å
91	S	83.3	Confident	83.1	Confident	32 Å²	32	24.7 Å²	24.7	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-33.4	175.2	-68.3	0	0	0	0	112.1	V87 L94 Y95	V87-S91 PolarHBondContact O-N 2.78Å; V87-S91 PolarHBondContact O-OG 2.98Å; S91-L94 PolarHBondContact O-N 3.1Å; S91-Y95 WeakPolarHBondContact O-CB 3.32Å; S91-Y95 PolarHBondContact O-N 2.67Å
92	S	83.5	Confident	83.5	Confident	6 Å²	6	24 Å²	24	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-39.7	174.9	-57.7	0	0	0	0	113.1	G88 I89 I90 Y95 F96	G88-S92 WeakPolarHBondContact O-CB 3.21Å; G88-S92 PolarHBondContact O-N 3.14Å; G88-S92 PolarHBondContact O-OG 2.92Å; I89-S92 WeakPolarHBondContact O-CB 3.41Å; I89-S92 PolarHBondContact O-N 3.33Å; I89-S92 VanDerWaalsContact O-N 3.15Å; I90-S92 PolarHBondContact O-N 3.24Å; S92-Y95 PolarHBondContact O-N 3.14Å; S92-F96 WeakPolarHBondContact O-CB 3.35Å; S92-F96 PolarHBondContact O-N 3.49Å
93	F	87.5	Confident	83.8	Confident	6 Å²	6	26 Å²	26	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-39.1	172.9	-64.1	-37.9	0	0	0	112.3	F32 V36 K71 F72 I89 I90 Y95 F96 L97 W128	F32-F93 HydrophobicContact CD1-CE1 4.41Å; V36-F93 HydrophobicContact CG2-CE1 4.4Å; K71-F93 HydrophobicContact CB-CE1 4.45Å; K71-F93 HydrophobicContact CB-CE2 4.11Å; K71-F93 HydrophobicContact CB-CZ 3.7Å; K71-F93 HydrophobicContact CD-CZ 4.18Å; F72-F93 HydrophobicContact CB-CD2 4.41Å; I89-F93 HydrophobicContact CG2-CD2 4.01Å; I89-F93 HydrophobicContact CG2-CE2 3.35Å; I89-F93 HydrophobicContact CG2-CZ 3.68Å; I89-F93 PolarHBondContact O-N 3.43Å; I90-F93 PolarHBondContact O-N 2.92Å; F93-Y95 VanDerWaalsContact C-N 3.35Å; F93-F96 PolarHBondContact O-N 2.79Å; F93-L97 WeakPolarHBondContact O-CG 3.32Å; F93-L97 PolarHBondContact O-N 2.96Å; F93-W128 HydrophobicContact CB-CH2 3.96Å; F93-W128 HydrophobicContact CB-CZ3 4.03Å
94	L	87.3	Confident	83.8	Confident	9 Å²	9	23.9 Å²	23.9	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175	-63.8	178.5	0	0	0	111.5	I90 S91 L97 G98 L125 W128 V179 E182 M183 L186	I90-L94 HydrophobicContact CG2-CD1 4.24Å; I90-L94 HydrophobicContact CG2-CG 4.43Å; I90-L94 WeakPolarHBondContact O-CG 3.23Å; I90-L94 PolarHBondContact O-N 3.16Å; S91-L94 PolarHBondContact O-N 3.1Å; L94-L97 PolarHBondContact O-N 3.31Å; L94-G98 PolarHBondContact O-N 3.16Å; L94-L125 HydrophobicContact CD2-CD2 4.31Å; L94-W128 HydrophobicContact CD2-CE3 4.06Å; L94-W128 HydrophobicContact CD2-CZ3 4.11Å; L94-V179 HydrophobicContact CD1-CG1 4.36Å; L94-E182 HydrophobicContact CD1-CB 4.14Å; L94-M183 HydrophobicContact CD1-CE 4.08Å; L94-M183 HydrophobicContact CD1-CG 3.6Å; L94-M183 HydrophobicContact CD2-CE 4.21Å; L94-M183 HydrophobicContact CD2-CG 3.68Å; L94-M183 HydrophobicContact CG-CE 4.48Å; L94-M183 HydrophobicContact CG-CG 4.27Å; L94-L186 HydrophobicContact CB-CD2 4.18Å; L94-L186 HydrophobicContact CD2-CD2 3.81Å; L94-L186 WeakPolarHBondContact O-CD2 3.44Å
95	Y	85.1	Confident	84.4	Confident	42 Å²	42	20.6 Å²	20.6	17%	0.165	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-46.9	173.8	179.8	-86.3	0	0	0	112.2	I43 T45 V48 S91 S92 F93 L97 G98 A99 L469 G471	I43-Y95 HydrophobicContact CB-CD1 4.37Å; I43-Y95 HydrophobicContact CD1-CD1 3.73Å; I43-Y95 HydrophobicContact CD1-CD2 3.94Å; I43-Y95 HydrophobicContact CD1-CG 3.37Å; I43-Y95 HydrophobicContact CG2-CD1 3.68Å; I43-Y95 HydrophobicContact CG2-CE1 3.84Å; I43-Y95 HydrophobicContact CG2-CG 4.45Å; T45-Y95 HydrophobicContact CG2-CE1 4.3Å; T45-Y95 WeakPolarHBondContact CG2-OH 3.37Å; V48-Y95 HydrophobicContact CG1-CE1 4.37Å; S91-Y95 WeakPolarHBondContact O-CB 3.32Å; S91-Y95 PolarHBondContact O-N 2.67Å; S92-Y95 PolarHBondContact O-N 3.14Å; F93-Y95 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3Å; Y95-G98 PolarHBondContact O-N 2.95Å; Y95-A99 WeakPolarHBondContact O-CB 2.86Å; Y95-A99 PolarHBondContact O-N 3.03Å; Y95-L469 HydrophobicContact CD2-CD2 3.39Å; Y95-L469 HydrophobicContact CE2-CD2 3.68Å; Y95-L469 HydrophobicContact CG-CD2 4.22Å; Y95-G471 WeakPolarHBondContact OH-CA 3.33Å
96	F	88.6	Confident	84.8	Confident	4 Å²	4	17 Å²	17	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-56.8	-49.5	177.9	170.9	-92.5	0	0	0	111.8	F32 V48 F51 L52 V64 V68 S92 F93 G98 A99 W100	F32-F96 HydrophobicContact CE1-CD1 4.06Å; F32-F96 HydrophobicContact CE1-CD2 4.05Å; F32-F96 AromaticContact CE1-CE1 3.85Å; F32-F96 HydrophobicContact CE1-CE1 3.85Å; F32-F96 AromaticContact CE1-CE2 3.83Å; F32-F96 HydrophobicContact CE1-CE2 3.83Å; F32-F96 HydrophobicContact CE1-CG 4.18Å; F32-F96 AromaticContact CE1-CZ 3.74Å; F32-F96 HydrophobicContact CE1-CZ 3.74Å; F32-F96 HydrophobicContact CZ-CE1 4.02Å; F32-F96 HydrophobicContact CZ-CE2 4.12Å; F32-F96 AromaticContact CZ-CZ 3.72Å; F32-F96 HydrophobicContact CZ-CZ 3.72Å; V48-F96 HydrophobicContact CG1-CD2 3.9Å; F51-F96 AromaticContact CD1-CE2 3.61Å; F51-F96 HydrophobicContact CD1-CE2 3.61Å; F51-F96 AromaticContact CD1-CZ 3.91Å; F51-F96 HydrophobicContact CD1-CZ 3.91Å; F51-F96 AromaticContact CE1-CE2 3.9Å; F51-F96 HydrophobicContact CE1-CE2 3.9Å; F51-F96 AromaticContact CE1-CZ 3.72Å; F51-F96 HydrophobicContact CE1-CZ 3.72Å; L52-F96 HydrophobicContact CD2-CE2 3.69Å; L52-F96 HydrophobicContact CD2-CZ 3.65Å; L52-F96 HydrophobicContact CG-CE2 4.02Å; L52-F96 HydrophobicContact CG-CZ 4.48Å; V64-F96 HydrophobicContact CG1-CE1 4.16Å; V64-F96 HydrophobicContact CG1-CZ 4.04Å; V68-F96 HydrophobicContact CG2-CD1 4.3Å; V68-F96 HydrophobicContact CG2-CE1 4.02Å; S92-F96 WeakPolarHBondContact O-CB 3.35Å; S92-F96 PolarHBondContact O-N 3.49Å; F93-F96 PolarHBondContact O-N 2.79Å; F96-G98 VanDerWaalsContact C-N 3.33Å; F96-G98 PolarHBondContact O-N 3.18Å; F96-A99 PolarHBondContact O-N 3.36Å; F96-W100 AromaticContact CE1-CE3 3.99Å; F96-W100 HydrophobicContact CE1-CE3 3.99Å; F96-W100 HydrophobicContact CE1-CZ3 4.35Å; F96-W100 HydrophobicContact CZ-CE3 4.41Å; F96-W100 PolarHBondContact O-N 3.07Å; F96-W100 VanDerWaalsContact O-N 3.07Å
97	L	90.4	Very high	84.9	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-66.6	-36.2	177.7	-68.5	179	0	0	0	111.8	L65 V68 F93 L94 Y95 W100 L101 L121 L125 W128 L186	L65-L97 HydrophobicContact CD2-CD2 4.39Å; V68-L97 HydrophobicContact CG1-CD1 4.35Å; V68-L97 HydrophobicContact CG1-CD2 4.4Å; V68-L97 HydrophobicContact CG1-CG 4.47Å; F93-L97 WeakPolarHBondContact O-CG 3.32Å; F93-L97 PolarHBondContact O-N 2.96Å; L94-L97 PolarHBondContact O-N 3.31Å; Y95-L97 PolarHBondContact O-N 3Å; L97-W100 HydrophobicContact CD2-CE3 4.14Å; L97-W100 PolarHBondContact O-N 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.19Å; L97-L101 PolarHBondContact O-N 3.29Å; L97-L101 VanDerWaalsContact O-N 3.12Å; L97-L121 HydrophobicContact CD1-CD1 3.93Å; L97-L121 HydrophobicContact CD2-CD1 3.72Å; L97-L121 HydrophobicContact CG-CD1 4.29Å; L97-L125 HydrophobicContact CD1-CD2 3.68Å; L97-L125 HydrophobicContact CD1-CG 4.41Å; L97-W128 HydrophobicContact CD1-CH2 3.68Å; L97-W128 HydrophobicContact CD1-CZ3 3.65Å; L97-L186 HydrophobicContact CB-CD2 3.94Å
98	G	87.6	Confident	85.3	Confident	1 Å²	1	19 Å²	19	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-42.9	173.4	0	0	0	0	0	113.1	L94 Y95 F96 W100 L101 Q102	L94-G98 PolarHBondContact O-N 3.16Å; Y95-G98 PolarHBondContact O-N 2.95Å; F96-G98 VanDerWaalsContact C-N 3.33Å; F96-G98 PolarHBondContact O-N 3.18Å; G98-W100 VanDerWaalsContact C-N 3.34Å; G98-L101 PolarHBondContact O-N 2.99Å; G98-Q102 WeakPolarHBondContact O-CG 3.21Å; G98-Q102 PolarHBondContact O-NE2 2.93Å
99	A	85.5	Confident	85.7	Confident	3 Å²	3	18.7 Å²	18.7	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-65.2	-37.5	174.9	0	0	0	0	0	111.7	V48 L52 Y95 F96 L101 Q102	V48-A99 HydrophobicContact CG1-CB 4.21Å; L52-A99 HydrophobicContact CD1-CB 3.87Å; Y95-A99 WeakPolarHBondContact O-CB 2.86Å; Y95-A99 PolarHBondContact O-N 3.03Å; F96-A99 PolarHBondContact O-N 3.36Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 3.41Å; A99-Q102 PolarHBondContact O-N 3.2Å
100	W	90.8	Very high	85.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-34.5	176.7	-157.6	-5.7	0	0	0	112.9	L52 Y55 M61 V64 L65 F96 L97 G98 Q102 H105 V106 D108 F109	L52-W100 HydrophobicContact CD1-CB 4.35Å; L52-W100 HydrophobicContact CD2-CB 3.95Å; L52-W100 HydrophobicContact CD2-CD2 3.95Å; L52-W100 HydrophobicContact CD2-CG 3.71Å; Y55-W100 HydrophobicContact CE1-CZ2 4.24Å; Y55-W100 HydrophobicContact CE2-CZ2 4.2Å; Y55-W100 AromaticContact CZ-CZ2 3.73Å; M61-W100 HydrophobicContact CB-CH2 4.39Å; M61-W100 HydrophobicContact CB-CZ2 4.47Å; M61-W100 HydrophobicContact CG-CH2 4.31Å; M61-W100 HydrophobicContact CG-CZ2 3.9Å; V64-W100 HydrophobicContact CB-CH2 3.9Å; V64-W100 HydrophobicContact CB-CZ3 4.22Å; V64-W100 HydrophobicContact CG1-CH2 3.7Å; V64-W100 HydrophobicContact CG1-CZ3 3.57Å; L65-W100 HydrophobicContact CD2-CZ3 3.83Å; L65-W100 HydrophobicContact CG-CH2 4.36Å; L65-W100 HydrophobicContact CG-CZ3 4.13Å; F96-W100 AromaticContact CE1-CE3 3.99Å; F96-W100 HydrophobicContact CE1-CE3 3.99Å; F96-W100 HydrophobicContact CE1-CZ3 4.35Å; F96-W100 HydrophobicContact CZ-CE3 4.41Å; F96-W100 PolarHBondContact O-N 3.07Å; F96-W100 VanDerWaalsContact O-N 3.07Å; L97-W100 HydrophobicContact CD2-CE3 4.14Å; L97-W100 PolarHBondContact O-N 3.24Å; G98-W100 VanDerWaalsContact C-N 3.34Å; W100-Q102 PolarHBondContact O-N 2.98Å; W100-H105 CarbonylContact O-C 3.49Å; W100-H105 VanDerWaalsContact O-C 3.22Å; W100-H105 WeakPolarHBondContact O-CB 3.41Å; W100-V106 PolarHBondContact O-N 3.25Å; W100-V106 VanDerWaalsContact O-N 3.17Å; W100-D108 PolarHBondContact NE1-OD2 2.99Å; W100-F109 AromaticContact CD1-CE2 3.74Å; W100-F109 HydrophobicContact CD2-CE2 4.34Å; W100-F109 HydrophobicContact CD2-CZ 4.02Å; W100-F109 AromaticContact CE2-CZ 3.89Å; W100-F109 HydrophobicContact CG-CE2 4.1Å; W100-F109 HydrophobicContact CG-CZ 4.25Å; W100-F109 HydrophobicContact CZ2-CZ 4.33Å; W100-F109 AromaticContact NE1-CE2 3.9Å; W100-F109 AromaticContact NE1-CZ 4Å
101	L	89.4	Confident	85.8	Confident	3 Å²	3	21 Å²	21	2%	0.016	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	7.8	177.9	-70.8	171.2	0	0	0	114.2	L97 G98 A99 F109 L118 L121 L186 A190 C193	L97-L101 WeakPolarHBondContact O-CG 3.19Å; L97-L101 PolarHBondContact O-N 3.29Å; L97-L101 VanDerWaalsContact O-N 3.12Å; G98-L101 PolarHBondContact O-N 2.99Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 3.41Å; L101-F109 HydrophobicContact CD2-CE2 4.29Å; L101-L118 HydrophobicContact CD2-CD1 3.71Å; L101-L121 HydrophobicContact CD1-CD2 4.22Å; L101-L121 HydrophobicContact CD2-CD2 3.77Å; L101-L121 HydrophobicContact CG-CD2 4.05Å; L101-L186 HydrophobicContact CD1-CD1 3.78Å; L101-L186 HydrophobicContact CD1-CG 4.48Å; L101-A190 HydrophobicContact CD1-CB 3.62Å; L101-A190 HydrophobicContact CD2-CB 4.26Å; L101-C193 HydrophobicContact CD2-CB 4.43Å
102	Q	83.1	Confident	85.8	Confident	30 Å²	30	22.2 Å²	22.2	14%	0.14	12%	0.115	C	C	.	.	S	Bend	trans	-118.4	162.2	-177.6	-74.6	170.4	52.5	0	0	112.5	G98 A99 W100 P104 H105 V106	G98-Q102 WeakPolarHBondContact O-CG 3.21Å; G98-Q102 PolarHBondContact O-NE2 2.93Å; A99-Q102 PolarHBondContact O-N 3.2Å; W100-Q102 PolarHBondContact O-N 2.98Å; Q102-P104 CarbonylContact O-C 3.51Å; Q102-H105 CarbonylContact O-C 3.22Å; Q102-H105 WeakPolarHBondContact O-CA 3.45Å; Q102-H105 PolarHBondContact O-N 2.99Å; Q102-V106 PolarHBondContact O-N 2.83Å
103	Q	81.8	Confident	85.8	Confident	101 Å²	101	28.4 Å²	28.4	47%	0.472	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	137.4	176.7	-69.5	-69.8	-14.3	0	0	110.5	V106	Q103-V106 HydrophobicContact CG-CG1 4.01Å; Q103-V106 VanDerWaalsContact NE2-CG1 3.31Å
104	P	76.3	Confident	85.7	Confident	13 Å²	13	30.3 Å²	30.3	8%	0.084	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.2	-13.5	2.1	29.2	-28.8	0	0	0	115.2	Y53 Q102 V106 K107 L281 F707	Y53-P104 HydrophobicContact CE1-CG 4.22Å; Y53-P104 HydrophobicContact CE2-CG 4.22Å; Y53-P104 WeakPolarHBondContact OH-CG 3.5Å; Q102-P104 CarbonylContact O-C 3.51Å; P104-V106 VanDerWaalsContact C-N 3.26Å; P104-V106 PolarHBondContact O-N 3.39Å; P104-K107 VanDerWaalsContact O-CB 3.3Å; P104-K107 WeakPolarHBondContact O-CB 3.31Å; P104-K107 WeakPolarHBondContact O-CG 3.3Å; P104-K107 PolarHBondContact O-N 2.93Å; P104-K107 VanDerWaalsContact O-N 3.09Å; P104-L281 HydrophobicContact CB-CD1 4.14Å; P104-L281 HydrophobicContact CG-CD1 4.2Å; P104-F707 HydrophobicContact CB-CD2 3.66Å; P104-F707 HydrophobicContact CB-CE2 3.58Å; P104-F707 HydrophobicContact CB-CG 4.43Å; P104-F707 HydrophobicContact CB-CZ 4.29Å; P104-F707 HydrophobicContact CG-CD2 3.88Å; P104-F707 HydrophobicContact CG-CE2 3.98Å; P104-F707 HydrophobicContact CG-CG 4.16Å; P104-F707 HydrophobicContact CG-CZ 4.33Å
105	H	86.9	Confident	85.8	Confident	10 Å²	10	30.6 Å²	30.6	5%	0.046	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-65.1	-23.3	-169.6	-58.2	-59.9	0	0	0	114.8	L52 Y53 W100 Q102 K107 D108	L52-H105 VanDerWaalsContact C-CE1 3.42Å; L52-H105 WeakPolarHBondContact CB-CE1 3.39Å; L52-H105 PolarHBondContact O-ND1 2.94Å; Y53-H105 AromaticContact CD2-CE1 3.09Å; Y53-H105 WeakPolarHBondContact CD2-CE1 3.31Å; Y53-H105 AromaticContact CD2-NE2 3.39Å; Y53-H105 WeakPolarHBondContact CD2-NE2 3.29Å; Y53-H105 AromaticContact CE2-CE1 3.28Å; Y53-H105 WeakPolarHBondContact CE2-CE1 3.08Å; Y53-H105 AromaticContact CE2-NE2 3.23Å; Y53-H105 WeakPolarHBondContact CE2-NE2 3.31Å; Y53-H105 AromaticContact CG-CE1 3.72Å; W100-H105 CarbonylContact O-C 3.49Å; W100-H105 VanDerWaalsContact O-C 3.22Å; W100-H105 WeakPolarHBondContact O-CB 3.41Å; Q102-H105 CarbonylContact O-C 3.22Å; Q102-H105 WeakPolarHBondContact O-CA 3.45Å; Q102-H105 PolarHBondContact O-N 2.99Å; H105-K107 PolarHBondContact O-N 3.27Å; H105-K107 VanDerWaalsContact O-N 3.17Å; H105-D108 WeakPolarHBondContact O-CB 3.16Å; H105-D108 PolarHBondContact O-N 2.99Å
106	V	86.6	Confident	85.9	Confident	20 Å²	20	33.7 Å²	33.7	12%	0.121	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.2	174.5	71.7	0	0	0	0	112.2	W100 Q102 Q103 P104 D108 F109 C193	W100-V106 PolarHBondContact O-N 3.25Å; W100-V106 VanDerWaalsContact O-N 3.17Å; Q102-V106 PolarHBondContact O-N 2.83Å; Q103-V106 HydrophobicContact CG-CG1 4.01Å; Q103-V106 VanDerWaalsContact NE2-CG1 3.31Å; P104-V106 VanDerWaalsContact C-N 3.26Å; P104-V106 PolarHBondContact O-N 3.39Å; V106-D108 PolarHBondContact O-N 3.03Å; V106-D108 VanDerWaalsContact O-N 3.14Å; V106-F109 PolarHBondContact O-N 3.33Å; V106-C193 HydrophobicContact CG2-CB 4.35Å
107	K	83.8	Confident	86	Confident	72 Å²	72	35 Å²	35	31%	0.313	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-60.1	-20.5	172	-68.4	-171.9	174.9	-172.3	0	112.1	P104 H105 F109 D110 L277	P104-K107 VanDerWaalsContact O-CB 3.3Å; P104-K107 WeakPolarHBondContact O-CB 3.31Å; P104-K107 WeakPolarHBondContact O-CG 3.3Å; P104-K107 PolarHBondContact O-N 2.93Å; P104-K107 VanDerWaalsContact O-N 3.09Å; H105-K107 PolarHBondContact O-N 3.27Å; H105-K107 VanDerWaalsContact O-N 3.17Å; K107-F109 PolarHBondContact O-N 3.32Å; K107-D110 WeakPolarHBondContact O-CB 3.41Å; K107-D110 PolarHBondContact O-N 3.16Å; K107-L277 PolarHBondContact NZ-O 3.48Å
108	D	86.9	Confident	86.1	Confident	10 Å²	10	35 Å²	35	5%	0.053	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32.1	173.7	-66.1	4.6	0	0	0	112.3	Y55 R56 W100 H105 V106 K114	Y55-D108 WeakPolarHBondContact CE1-OD2 3.4Å; Y55-D108 PolarHBondContact OH-OD2 3.39Å; R56-D108 IonicContact CZ-OD1 3.11Å; R56-D108 IonicContact CZ-OD2 3.1Å; R56-D108 VanDerWaalsContact NH1-CG 3.25Å; R56-D108 IonicContact NH1-OD1 3.75Å; R56-D108 PolarHBondContact NH1-OD1 3.25Å; R56-D108 IonicContact NH1-OD2 3.19Å; R56-D108 PolarHBondContact NH1-OD2 3.05Å; R56-D108 VanDerWaalsContact NH1-OD2 3.15Å; R56-D108 VanDerWaalsContact NH2-CA 3.28Å; R56-D108 IonicContact NH2-OD1 3.89Å; R56-D108 PolarHBondContact NH2-OD1 3.11Å; R56-D108 IonicContact NH2-OD2 3.71Å; R56-D108 PolarHBondContact NH2-OD2 3.19Å; W100-D108 PolarHBondContact NE1-OD2 2.99Å; H105-D108 WeakPolarHBondContact O-CB 3.16Å; H105-D108 PolarHBondContact O-N 2.99Å; V106-D108 PolarHBondContact O-N 3.03Å; V106-D108 VanDerWaalsContact O-N 3.14Å; D108-K114 WeakPolarHBondContact O-CD 3.46Å
109	F	88.3	Confident	86.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-93.6	-5.6	-179.6	-55.9	-78.7	0	0	0	113.4	M61 W100 L101 V106 K107 S111 H117 L118 L121 I197	M61-F109 HydrophobicContact SD-CE1 4.42Å; W100-F109 AromaticContact CD1-CE2 3.74Å; W100-F109 HydrophobicContact CD2-CE2 4.34Å; W100-F109 HydrophobicContact CD2-CZ 4.02Å; W100-F109 AromaticContact CE2-CZ 3.89Å; W100-F109 HydrophobicContact CG-CE2 4.1Å; W100-F109 HydrophobicContact CG-CZ 4.25Å; W100-F109 HydrophobicContact CZ2-CZ 4.33Å; W100-F109 AromaticContact NE1-CE2 3.9Å; W100-F109 AromaticContact NE1-CZ 4Å; L101-F109 HydrophobicContact CD2-CE2 4.29Å; V106-F109 PolarHBondContact O-N 3.33Å; K107-F109 PolarHBondContact O-N 3.32Å; F109-S111 PolarHBondContact O-N 3.06Å; F109-H117 HydrophobicContact CD1-CB 4.49Å; F109-H117 HydrophobicContact CE1-CB 4.39Å; F109-L118 HydrophobicContact CB-CB 4.34Å; F109-L118 HydrophobicContact CB-CD2 4.13Å; F109-L118 HydrophobicContact CD1-CB 3.8Å; F109-L118 HydrophobicContact CD1-CD1 4.22Å; F109-L118 HydrophobicContact CD1-CG 4.49Å; F109-L118 HydrophobicContact CE1-CB 4.47Å; F109-L118 HydrophobicContact CE1-CD1 4.46Å; F109-L118 HydrophobicContact CG-CB 4.25Å; F109-L118 HydrophobicContact CG-CD1 4.25Å; F109-L118 HydrophobicContact CG-CD2 4.48Å; F109-L121 HydrophobicContact CZ-CD2 4.11Å; F109-I197 HydrophobicContact CB-CD1 3.84Å
110	D	85.4	Confident	86.4	Confident	51 Å²	51	39.8 Å²	39.8	27%	0.273	20%	0.204	S	C	.	.			trans	-80.4	57.9	-172.9	-169.1	6.4	0	0	0	112.5	K107 K200 H201	K107-D110 WeakPolarHBondContact O-CB 3.41Å; K107-D110 PolarHBondContact O-N 3.16Å; D110-K200 WeakPolarHBondContact OD1-CD 3.41Å; D110-K200 IonicContact OD1-NZ 3.67Å; D110-K200 PolarHBondContact OD1-NZ 3.41Å; D110-K200 VanDerWaalsContact OD1-NZ 3.1Å; D110-K200 IonicContact OD2-NZ 3.55Å; D110-K200 PolarHBondContact OD2-NZ 3.23Å; D110-H201 IonicContact OD1-CD2 3.98Å; D110-H201 IonicContact OD1-CE1 3.54Å; D110-H201 IonicContact OD1-NE2 2.95Å; D110-H201 PolarHBondContact OD1-NE2 3.4Å
111	S	84.5	Confident	86.5	Confident	27 Å²	27	39.8 Å²	39.8	19%	0.189	20%	0.204	C	C	.	.	S	Bend	trans	-150.6	140.9	176.2	-171.5	0	0	0	0	109.1	F109 Q113 K114 I115	F109-S111 PolarHBondContact O-N 3.06Å; S111-Q113 PolarHBondContact O-N 2.95Å; S111-Q113 VanDerWaalsContact O-N 3.17Å; S111-Q113 PolarHBondContact OG-OE1 3.25Å; S111-K114 PolarHBondContact O-N 2.86Å; S111-I115 PolarHBondContact O-N 2.83Å
112	P	81.6	Confident	86.6	Confident	57 Å²	57	39.6 Å²	39.6	37%	0.37	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.7	-176.6	19.9	-30.2	0	0	0	113	I115 I203	P112-I115 WeakPolarHBondContact O-CG2 3.46Å; P112-I203 HydrophobicContact CB-CD1 3.91Å
113	Q	84.2	Confident	86.9	Confident	137 Å²	137	41.8 Å²	41.8	64%	0.64	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-33.6	175.7	-56.2	80.9	-0.3	0	0	112.3	S111 I115 I116	S111-Q113 PolarHBondContact O-N 2.95Å; S111-Q113 VanDerWaalsContact O-N 3.17Å; S111-Q113 PolarHBondContact OG-OE1 3.25Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 2.93Å; Q113-I116 WeakPolarHBondContact O-CG2 3.28Å
114	K	86.4	Confident	87.2	Confident	45 Å²	45	37.9 Å²	37.9	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.6	-176.3	-58.4	179.6	-172.8	166.6	0	112.7	M61 D108 S111 I116 H117 L118	M61-K114 HydrophobicContact CE-CB 4.2Å; M61-K114 HydrophobicContact CE-CD 3.65Å; M61-K114 HydrophobicContact CE-CG 3.79Å; D108-K114 WeakPolarHBondContact O-CD 3.46Å; S111-K114 PolarHBondContact O-N 2.86Å; K114-I116 PolarHBondContact O-N 3.01Å; K114-I116 VanDerWaalsContact O-N 3.13Å; K114-H117 WeakPolarHBondContact O-CB 3.46Å; K114-H117 PolarHBondContact O-N 3.48Å; K114-L118 PolarHBondContact O-N 3.31Å
115	I	88	Confident	87.9	Confident	16 Å²	16	37.3 Å²	37.3	8%	0.082	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-27.6	173.5	-155.8	168.3	0	0	0	112.5	S111 P112 Q113 H117 L118 K119 L194 A198 I203 L205	S111-I115 PolarHBondContact O-N 2.83Å; P112-I115 WeakPolarHBondContact O-CG2 3.46Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 2.93Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 2.96Å; I115-L118 PolarHBondContact O-N 3.28Å; I115-K119 PolarHBondContact O-N 3.13Å; I115-L194 HydrophobicContact CD1-CD1 3.79Å; I115-L194 HydrophobicContact CG1-CD1 3.37Å; I115-A198 HydrophobicContact CD1-CB 4.01Å; I115-I203 HydrophobicContact CD1-CB 4.43Å; I115-I203 HydrophobicContact CD1-CD1 3.81Å; I115-I203 HydrophobicContact CD1-CG2 4.27Å; I115-I203 HydrophobicContact CG2-CD1 4.5Å; I115-L205 HydrophobicContact CD1-CD2 4.24Å
116	I	88	Confident	88	Confident	107 Å²	107	36.8 Å²	36.8	55%	0.549	19%	0.186	S	C	.	.	H	α-helix	trans	-65	-35.2	176.3	-160.3	162.9	0	0	0	112	Q113 K114 K119 C120	Q113-I116 WeakPolarHBondContact O-CG2 3.28Å; K114-I116 PolarHBondContact O-N 3.01Å; K114-I116 VanDerWaalsContact O-N 3.13Å; I116-K119 PolarHBondContact O-N 3.21Å; I116-C120 WeakPolarHBondContact O-CB 3.23Å; I116-C120 PolarHBondContact O-N 3.47Å
117	H	91.2	Very high	87.9	Confident	31 Å²	31	36.2 Å²	36.2	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-71.5	-35.3	176.4	-55.2	-56.3	0	0	0	111.2	M61 E62 L65 F109 K114 I115 C120 L121	M61-H117 HydrophobicContact CB-CB 4.45Å; M61-H117 VanDerWaalsContact CE-CD2 3.4Å; M61-H117 WeakPolarHBondContact CE-CD2 3.33Å; M61-H117 HydrophobicContact SD-CB 4.4Å; E62-H117 VanDerWaalsContact CG-CE1 3.43Å; E62-H117 WeakPolarHBondContact CG-CE1 3.46Å; E62-H117 IonicContact OE1-CE1 3.24Å; E62-H117 PolarHBondContact OE1-CE1 2.88Å; L65-H117 HydrophobicContact CD1-CB 4.45Å; F109-H117 HydrophobicContact CD1-CB 4.49Å; F109-H117 HydrophobicContact CE1-CB 4.39Å; K114-H117 WeakPolarHBondContact O-CB 3.46Å; K114-H117 PolarHBondContact O-N 3.48Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 2.96Å; H117-C120 WeakPolarHBondContact O-CB 3.43Å; H117-C120 PolarHBondContact O-N 2.93Å; H117-L121 WeakPolarHBondContact O-CB 3.48Å; H117-L121 PolarHBondContact O-N 3.44Å
118	L	91	Very high	88.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-39.8	173.9	-171.8	54.3	0	0	0	111.6	L101 F109 K114 I115 C120 L121 V122 C193 L194 I197	L101-L118 HydrophobicContact CD2-CD1 3.71Å; F109-L118 HydrophobicContact CB-CB 4.34Å; F109-L118 HydrophobicContact CB-CD2 4.13Å; F109-L118 HydrophobicContact CD1-CB 3.8Å; F109-L118 HydrophobicContact CD1-CD1 4.22Å; F109-L118 HydrophobicContact CD1-CG 4.49Å; F109-L118 HydrophobicContact CE1-CB 4.47Å; F109-L118 HydrophobicContact CE1-CD1 4.46Å; F109-L118 HydrophobicContact CG-CB 4.25Å; F109-L118 HydrophobicContact CG-CD1 4.25Å; F109-L118 HydrophobicContact CG-CD2 4.48Å; K114-L118 PolarHBondContact O-N 3.31Å; I115-L118 PolarHBondContact O-N 3.28Å; L118-C120 VanDerWaalsContact C-N 3.32Å; L118-C120 PolarHBondContact O-N 2.63Å; L118-L121 HydrophobicContact CD1-CD2 4.23Å; L118-L121 PolarHBondContact O-N 3.38Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.43Å; L118-C193 HydrophobicContact CD2-CB 4.2Å; L118-L194 HydrophobicContact CB-CD1 4.42Å; L118-L194 VanDerWaalsContact CD2-CA 3.47Å; L118-L194 HydrophobicContact CD2-CB 3.82Å; L118-L194 HydrophobicContact CD2-CD1 4.09Å; L118-L194 HydrophobicContact CG-CB 4.09Å; L118-L194 HydrophobicContact CG-CD1 4.22Å; L118-I197 HydrophobicContact CD2-CD1 3.92Å
119	K	90.2	Very high	88	Confident	47 Å²	47	32.5 Å²	32.5	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-41.3	169.2	-73.4	-176.5	172.6	-172.3	0	112	I115 I116 V122 R123 C151 C152 L194	I115-K119 PolarHBondContact O-N 3.13Å; I116-K119 PolarHBondContact O-N 3.21Å; K119-V122 PolarHBondContact O-N 3.2Å; K119-R123 WeakPolarHBondContact O-CB 3.36Å; K119-R123 PolarHBondContact O-N 2.78Å; K119-C151 WeakPolarHBondContact CE-O 3.47Å; K119-C152 PolarHBondContact O-SG 2.63Å; K119-L194 HydrophobicContact CG-CD1 4.12Å; K119-L194 HydrophobicContact CG-CD2 4.05Å
120	C	90.7	Very high	87.8	Confident	58 Å²	58	33 Å²	33	39%	0.392	17%	0.17	S	C	.	.	H	α-helix	trans	-61.3	-44.4	175.3	-170.9	0	0	0	0	111.4	L65 I116 H117 L118 R123 I124	L65-C120 HydrophobicContact CD1-CB 4.45Å; I116-C120 WeakPolarHBondContact O-CB 3.23Å; I116-C120 PolarHBondContact O-N 3.47Å; H117-C120 WeakPolarHBondContact O-CB 3.43Å; H117-C120 PolarHBondContact O-N 2.93Å; L118-C120 VanDerWaalsContact C-N 3.32Å; L118-C120 PolarHBondContact O-N 2.63Å; C120-R123 WeakPolarHBondContact O-CB 3.41Å; C120-R123 PolarHBondContact O-N 2.83Å; C120-R123 VanDerWaalsContact O-N 3.16Å; C120-I124 WeakPolarHBondContact O-CG1 3.42Å; C120-I124 PolarHBondContact O-N 2.72Å
121	L	92.6	Very high	87.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-45.5	175.4	175.2	58.2	0	0	0	112.3	L65 L97 L101 F109 H117 L118 R123 I124 L125	L65-L121 HydrophobicContact CD1-CB 4.5Å; L65-L121 HydrophobicContact CD2-CB 4.21Å; L65-L121 HydrophobicContact CD2-CD1 3.82Å; L65-L121 HydrophobicContact CD2-CG 4.5Å; L97-L121 HydrophobicContact CD1-CD1 3.93Å; L97-L121 HydrophobicContact CD2-CD1 3.72Å; L97-L121 HydrophobicContact CG-CD1 4.29Å; L101-L121 HydrophobicContact CD1-CD2 4.22Å; L101-L121 HydrophobicContact CD2-CD2 3.77Å; L101-L121 HydrophobicContact CG-CD2 4.05Å; F109-L121 HydrophobicContact CZ-CD2 4.11Å; H117-L121 WeakPolarHBondContact O-CB 3.48Å; H117-L121 PolarHBondContact O-N 3.44Å; L118-L121 HydrophobicContact CD1-CD2 4.23Å; L118-L121 PolarHBondContact O-N 3.38Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 3.47Å; L121-I124 PolarHBondContact O-N 2.97Å; L121-L125 HydrophobicContact CD1-CD1 4.07Å; L121-L125 HydrophobicContact CD1-CG 4.08Å; L121-L125 HydrophobicContact CG-CD1 4.19Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.08Å
122	V	91.2	Very high	87.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-41.5	174.2	176.2	0	0	0	0	110.6	L118 K119 L125 A126 C152 A190 I191	L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.43Å; K119-V122 PolarHBondContact O-N 3.2Å; V122-L125 PolarHBondContact O-N 3.35Å; V122-A126 VanDerWaalsContact O-CB 3.26Å; V122-A126 WeakPolarHBondContact O-CB 3.22Å; V122-A126 PolarHBondContact O-N 3.42Å; V122-C152 WeakPolarHBondContact CG1-SG 3.46Å; V122-A190 HydrophobicContact CG2-CB 3.75Å; V122-I191 HydrophobicContact CG1-CD1 4.12Å; V122-I191 HydrophobicContact CG1-CG1 3.75Å; V122-I191 HydrophobicContact CG2-CG1 4.04Å
123	R	88.7	Confident	86.9	Confident	75 Å²	75	28.8 Å²	28.8	28%	0.283	14%	0.141	S	C	.	.	H	α-helix	trans	-65.8	-39	177.9	-165.1	178.3	-173.7	91.9	5.1	112.8	K119 C120 L121 G127 M149 G153 N154 V156	K119-R123 WeakPolarHBondContact O-CB 3.36Å; K119-R123 PolarHBondContact O-N 2.78Å; C120-R123 WeakPolarHBondContact O-CB 3.41Å; C120-R123 PolarHBondContact O-N 2.83Å; C120-R123 VanDerWaalsContact O-N 3.16Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 3.47Å; R123-G127 PolarHBondContact O-N 3.08Å; R123-M149 HydrophobicContact CG-CE 4.29Å; R123-M149 HydrophobicContact CG-SD 4.44Å; R123-M149 VanDerWaalsContact NH1-CE 3.28Å; R123-G153 PolarHBondContact NH1-O 2.86Å; R123-N154 PolarHBondContact NH1-O 3.25Å; R123-N154 PolarHBondContact NH2-O 2.99Å; R123-V156 PolarHBondContact NH2-O 2.87Å
124	I	89.6	Confident	86.2	Confident	19 Å²	19	23.4 Å²	23.4	10%	0.097	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-52	175	-71.8	165.4	0	0	0	109.8	L65 N69 C120 L121 A126 G127 W128	L65-I124 HydrophobicContact CB-CD1 3.89Å; L65-I124 HydrophobicContact CD2-CD1 4.25Å; L65-I124 HydrophobicContact CG-CD1 4.48Å; N69-I124 HydrophobicContact CB-CD1 4.26Å; N69-I124 HydrophobicContact CB-CG1 4.39Å; N69-I124 HydrophobicContact CB-CG2 4.12Å; C120-I124 WeakPolarHBondContact O-CG1 3.42Å; C120-I124 PolarHBondContact O-N 2.72Å; L121-I124 PolarHBondContact O-N 2.97Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 2.92Å; I124-G127 CarbonylContact O-C 3.59Å; I124-G127 WeakPolarHBondContact O-CA 3.4Å; I124-G127 PolarHBondContact O-N 2.72Å; I124-G127 VanDerWaalsContact O-N 3.07Å; I124-W128 HydrophobicContact CG2-CD2 4.21Å; I124-W128 HydrophobicContact CG2-CZ2 3.78Å; I124-W128 PolarHBondContact O-N 3.25Å
125	L	90.2	Very high	85.3	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-39.8	-179.7	-69.5	171.6	0	0	0	112.3	L94 L97 L121 V122 G127 W128 F129 L186 C187 A190	L94-L125 HydrophobicContact CD2-CD2 4.31Å; L97-L125 HydrophobicContact CD1-CD2 3.68Å; L97-L125 HydrophobicContact CD1-CG 4.41Å; L121-L125 HydrophobicContact CD1-CD1 4.07Å; L121-L125 HydrophobicContact CD1-CG 4.08Å; L121-L125 HydrophobicContact CG-CD1 4.19Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.08Å; V122-L125 PolarHBondContact O-N 3.35Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-G127 PolarHBondContact O-N 3.34Å; L125-W128 HydrophobicContact CD2-CE3 4.1Å; L125-W128 HydrophobicContact CD2-CZ3 4.36Å; L125-W128 PolarHBondContact O-N 2.78Å; L125-F129 WeakPolarHBondContact O-CB 3.37Å; L125-F129 PolarHBondContact O-N 2.99Å; L125-L186 HydrophobicContact CD1-CD2 4.23Å; L125-L186 HydrophobicContact CD1-CG 3.91Å; L125-L186 HydrophobicContact CD2-CD2 3.68Å; L125-L186 HydrophobicContact CD2-CG 4.22Å; L125-C187 WeakPolarHBondContact CB-SG 3.26Å; L125-A190 HydrophobicContact CD1-CB 4.11Å
126	A	88	Confident	84.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-39.1	173	0	0	0	0	0	111.7	V122 I124 W128 F129 D130 L145 F148 M149	V122-A126 VanDerWaalsContact O-CB 3.26Å; V122-A126 WeakPolarHBondContact O-CB 3.22Å; V122-A126 PolarHBondContact O-N 3.42Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 2.92Å; A126-W128 VanDerWaalsContact C-N 3.35Å; A126-F129 PolarHBondContact O-N 2.59Å; A126-D130 PolarHBondContact O-N 3.35Å; A126-D130 VanDerWaalsContact O-N 3.07Å; A126-L145 HydrophobicContact CB-CD1 4.01Å; A126-L145 WeakPolarHBondContact O-CD1 3.45Å; A126-F148 HydrophobicContact CB-CB 4.17Å; A126-M149 HydrophobicContact CB-SD 3.98Å
127	G	85.2	Confident	83.3	Confident	7 Å²	7	32.8 Å²	32.8	7%	0.072	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-31.6	175.1	0	0	0	0	0	113.8	R123 I124 L125	R123-G127 PolarHBondContact O-N 3.08Å; I124-G127 CarbonylContact O-C 3.59Å; I124-G127 WeakPolarHBondContact O-CA 3.4Å; I124-G127 PolarHBondContact O-N 2.72Å; I124-G127 VanDerWaalsContact O-N 3.07Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-G127 PolarHBondContact O-N 3.34Å
128	W	88	Confident	82.3	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-71.4	-39.9	171.4	-64.5	3.3	0	0	0	111.4	V68 N69 F72 F93 L94 L97 I124 L125 A126 D130 V131 F132 M183	V68-W128 HydrophobicContact CG1-CH2 3.57Å; V68-W128 HydrophobicContact CG1-CZ2 3.92Å; N69-W128 PolarHBondContact OD1-NE1 3.45Å; F72-W128 HydrophobicContact CB-CD2 4.3Å; F72-W128 HydrophobicContact CB-CH2 4.05Å; F72-W128 HydrophobicContact CB-CZ2 3.41Å; F72-W128 VanDerWaalsContact CB-CZ2 3.41Å; F72-W128 AromaticContact CD1-CD1 3.32Å; F72-W128 AromaticContact CD1-CD2 3.96Å; F72-W128 HydrophobicContact CD1-CD2 3.96Å; F72-W128 AromaticContact CD1-CE2 3.7Å; F72-W128 AromaticContact CD1-CG 3.76Å; F72-W128 HydrophobicContact CD1-CG 3.76Å; F72-W128 HydrophobicContact CD1-CZ2 4.46Å; F72-W128 AromaticContact CD1-NE1 3.29Å; F72-W128 VanDerWaalsContact CD1-NE1 3.29Å; F72-W128 AromaticContact CD2-CD2 3.66Å; F72-W128 HydrophobicContact CD2-CD2 3.66Å; F72-W128 AromaticContact CD2-CE2 3.82Å; F72-W128 AromaticContact CD2-CE3 3.86Å; F72-W128 HydrophobicContact CD2-CE3 3.86Å; F72-W128 HydrophobicContact CD2-CG 4.07Å; F72-W128 HydrophobicContact CD2-CH2 4.31Å; F72-W128 HydrophobicContact CD2-CZ2 4.16Å; F72-W128 HydrophobicContact CD2-CZ3 4.18Å; F72-W128 HydrophobicContact CE1-CB 3.97Å; F72-W128 AromaticContact CE1-CD1 3.39Å; F72-W128 HydrophobicContact CE1-CD2 4.18Å; F72-W128 AromaticContact CE1-CG 3.58Å; F72-W128 HydrophobicContact CE1-CG 3.58Å; F72-W128 AromaticContact CE1-NE1 3.88Å; F72-W128 HydrophobicContact CE2-CB 4.11Å; F72-W128 AromaticContact CE2-CD2 3.89Å; F72-W128 HydrophobicContact CE2-CD2 3.89Å; F72-W128 HydrophobicContact CE2-CE3 4.09Å; F72-W128 AromaticContact CE2-CG 3.92Å; F72-W128 HydrophobicContact CE2-CG 3.92Å; F72-W128 AromaticContact CG-CD1 3.86Å; F72-W128 AromaticContact CG-CD2 3.69Å; F72-W128 HydrophobicContact CG-CD2 3.69Å; F72-W128 AromaticContact CG-CE2 3.39Å; F72-W128 HydrophobicContact CG-CE3 4.3Å; F72-W128 AromaticContact CG-CG 3.99Å; F72-W128 HydrophobicContact CG-CG 3.99Å; F72-W128 HydrophobicContact CG-CH2 4.35Å; F72-W128 AromaticContact CG-CZ2 3.77Å; F72-W128 HydrophobicContact CG-CZ2 3.77Å; F72-W128 AromaticContact CG-NE1 3.51Å; F72-W128 HydrophobicContact CZ-CB 3.69Å; F72-W128 AromaticContact CZ-CD1 3.97Å; F72-W128 HydrophobicContact CZ-CD2 4.14Å; F72-W128 AromaticContact CZ-CG 3.66Å; F72-W128 HydrophobicContact CZ-CG 3.66Å; F93-W128 HydrophobicContact CB-CH2 3.96Å; F93-W128 HydrophobicContact CB-CZ3 4.03Å; L94-W128 HydrophobicContact CD2-CE3 4.06Å; L94-W128 HydrophobicContact CD2-CZ3 4.11Å; L97-W128 HydrophobicContact CD1-CH2 3.68Å; L97-W128 HydrophobicContact CD1-CZ3 3.65Å; I124-W128 HydrophobicContact CG2-CD2 4.21Å; I124-W128 HydrophobicContact CG2-CZ2 3.78Å; I124-W128 PolarHBondContact O-N 3.25Å; L125-W128 HydrophobicContact CD2-CE3 4.1Å; L125-W128 HydrophobicContact CD2-CZ3 4.36Å; L125-W128 PolarHBondContact O-N 2.78Å; A126-W128 VanDerWaalsContact C-N 3.35Å; W128-D130 VanDerWaalsContact C-N 3.33Å; W128-D130 PolarHBondContact O-N 3.34Å; W128-V131 VanDerWaalsContact O-CB 3.31Å; W128-V131 WeakPolarHBondContact O-CB 3.45Å; W128-V131 PolarHBondContact O-N 3.49Å; W128-V131 VanDerWaalsContact O-N 3.17Å; W128-F132 WeakPolarHBondContact O-CD2 3.49Å; W128-M183 HydrophobicContact CB-CE 4.37Å; W128-M183 HydrophobicContact CB-SD 4.08Å
129	F	86	Confident	81.6	Confident	3 Å²	3	42.7 Å²	42.7	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-39.3	176.9	-180	-101.1	0	0	0	112.3	L125 A126 V131 F132 H141 I144 L145 F148 T180 M183 E184	L125-F129 WeakPolarHBondContact O-CB 3.37Å; L125-F129 PolarHBondContact O-N 2.99Å; A126-F129 PolarHBondContact O-N 2.59Å; F129-V131 PolarHBondContact O-N 3.44Å; F129-F132 PolarHBondContact O-N 3.12Å; F129-H141 AromaticContact CD1-CE1 3.53Å; F129-H141 AromaticContact CD1-NE2 3.71Å; F129-H141 AromaticContact CE1-CE1 3.19Å; F129-H141 WeakPolarHBondContact CE1-CE1 3.31Å; F129-H141 AromaticContact CE1-ND1 3.49Å; F129-H141 WeakPolarHBondContact CE1-ND1 3.46Å; F129-H141 AromaticContact CE1-NE2 3.58Å; F129-H141 AromaticContact CZ-CE1 3.49Å; F129-H141 VanDerWaalsContact CZ-CE1 3.49Å; F129-H141 WeakPolarHBondContact CZ-CE1 3.08Å; F129-H141 AromaticContact CZ-ND1 3.52Å; F129-H141 PolarHBondContact O-CE1 3.16Å; F129-H141 VanDerWaalsContact O-CE1 3.28Å; F129-H141 PolarHBondContact O-NE2 3.29Å; F129-I144 HydrophobicContact CE1-CB 4.34Å; F129-I144 HydrophobicContact CE1-CG2 3.96Å; F129-I144 HydrophobicContact CZ-CB 4.48Å; F129-I144 HydrophobicContact CZ-CG2 3.98Å; F129-L145 HydrophobicContact CD1-CD1 4.36Å; F129-F148 HydrophobicContact CD1-CE2 4.33Å; F129-F148 HydrophobicContact CE1-CE2 4.45Å; F129-F148 HydrophobicContact CG-CE2 4.47Å; F129-T180 HydrophobicContact CD2-CG2 4.25Å; F129-T180 HydrophobicContact CE2-CG2 3.7Å; F129-T180 HydrophobicContact CZ-CG2 4.49Å; F129-M183 HydrophobicContact CD2-CB 4.24Å; F129-E184 HydrophobicContact CD2-CB 4.42Å; F129-E184 HydrophobicContact CE2-CB 3.9Å; F129-E184 HydrophobicContact CE2-CG 4.29Å
130	D	82.9	Confident	81.1	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.064	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-28	176.1	-172.4	57.8	0	0	0	113.1	A126 W128 F132 Q133 L145 F157	A126-D130 PolarHBondContact O-N 3.35Å; A126-D130 VanDerWaalsContact O-N 3.07Å; W128-D130 VanDerWaalsContact C-N 3.33Å; W128-D130 PolarHBondContact O-N 3.34Å; D130-F132 PolarHBondContact O-N 2.88Å; D130-Q133 PolarHBondContact O-N 3.4Å; D130-L145 HydrophobicContact CB-CD1 4.43Å; D130-L145 HydrophobicContact CB-CD2 4.07Å; D130-L145 WeakPolarHBondContact OD1-CD2 3.39Å; D130-F157 HydrophobicContact CB-CE1 4.17Å; D130-F157 HydrophobicContact CB-CZ 4.09Å; D130-F157 WeakPolarHBondContact OD2-CE1 3.37Å
131	V	79.8	Confident	80.6	Confident	2 Å²	2	41 Å²	41	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-29.4	175.9	-177.6	0	0	0	0	111.6	F72 W73 W128 F129 Q133 V167	F72-V131 HydrophobicContact CE1-CG2 4.25Å; F72-V131 HydrophobicContact CZ-CG2 4.45Å; W73-V131 HydrophobicContact CH2-CG2 3.23Å; W73-V131 HydrophobicContact CZ2-CG2 4.22Å; W73-V131 HydrophobicContact CZ3-CG2 3.55Å; W128-V131 VanDerWaalsContact O-CB 3.31Å; W128-V131 WeakPolarHBondContact O-CB 3.45Å; W128-V131 PolarHBondContact O-N 3.49Å; W128-V131 VanDerWaalsContact O-N 3.17Å; F129-V131 PolarHBondContact O-N 3.44Å; V131-Q133 VanDerWaalsContact C-N 3.3Å; V131-Q133 PolarHBondContact O-N 3.14Å; V131-V167 HydrophobicContact CG1-CG1 4.09Å
132	F	79.1	Confident	80	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.018	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	25.7	-175.6	-71.9	-95.2	0	0	0	113.1	F72 I90 W128 F129 D130 P134 L168 W176 V179 T180 M183	F72-F132 HydrophobicContact CZ-CE2 4.4Å; I90-F132 HydrophobicContact CD1-CZ 4.07Å; W128-F132 WeakPolarHBondContact O-CD2 3.49Å; F129-F132 PolarHBondContact O-N 3.12Å; D130-F132 PolarHBondContact O-N 2.88Å; F132-P134 WeakPolarHBondContact O-CD 3.34Å; F132-L168 HydrophobicContact CD1-CD1 4.49Å; F132-L168 HydrophobicContact CE1-CD1 3.52Å; F132-L168 HydrophobicContact CE2-CD1 4.42Å; F132-L168 HydrophobicContact CZ-CD1 3.47Å; F132-L168 VanDerWaalsContact CZ-CD1 3.47Å; F132-W176 VanDerWaalsContact C-CZ2 3.47Å; F132-W176 HydrophobicContact CB-CZ2 4.05Å; F132-W176 AromaticContact CD1-CD2 3.8Å; F132-W176 HydrophobicContact CD1-CD2 3.8Å; F132-W176 AromaticContact CD1-CE2 3.78Å; F132-W176 AromaticContact CD1-CE3 3.99Å; F132-W176 HydrophobicContact CD1-CE3 3.99Å; F132-W176 HydrophobicContact CD1-CG 4.39Å; F132-W176 HydrophobicContact CD1-CH2 4.19Å; F132-W176 HydrophobicContact CD1-CZ2 4.02Å; F132-W176 HydrophobicContact CD1-CZ3 4.18Å; F132-W176 HydrophobicContact CE1-CD2 4.44Å; F132-W176 HydrophobicContact CE1-CE3 4.25Å; F132-W176 HydrophobicContact CE1-CZ3 4.41Å; F132-W176 HydrophobicContact CG-CZ2 4.34Å; F132-W176 PolarHBondContact O-NE1 2.94Å; F132-V179 HydrophobicContact CD1-CG1 4.48Å; F132-V179 HydrophobicContact CE1-CB 4.36Å; F132-V179 HydrophobicContact CE1-CG1 3.89Å; F132-V179 HydrophobicContact CE2-CG1 4.42Å; F132-V179 HydrophobicContact CZ-CG1 3.85Å; F132-T180 HydrophobicContact CB-CG2 4.33Å; F132-T180 WeakPolarHBondContact CB-OG1 3.26Å; F132-M183 HydrophobicContact CD2-CE 3.9Å; F132-M183 HydrophobicContact CD2-SD 3.75Å; F132-M183 HydrophobicContact CE2-CE 3.4Å; F132-M183 HydrophobicContact CE2-SD 3.91Å; F132-M183 HydrophobicContact CZ-CE 4.07Å
133	Q	73.9	Confident	79.7	Confident	39 Å²	39	51.4 Å²	51.4	18%	0.182	26%	0.261	C	S	.	.			trans	-56.7	123.6	179.8	-171.2	177.4	22.6	0	0	111.6	D130 V131 Q138 T164	D130-Q133 PolarHBondContact O-N 3.4Å; V131-Q133 VanDerWaalsContact C-N 3.3Å; V131-Q133 PolarHBondContact O-N 3.14Å; Q133-Q138 HydrophobicContact CG-CG 4.48Å; Q133-T164 HydrophobicContact CB-CG2 4.47Å
134	P	69.7	Low	79.5	Confident	25 Å²	25	49.3 Å²	49.3	16%	0.162	26%	0.255	C	S	.	.			trans	-72.3	146.9	179.1	29.6	-34.4	0	0	0	111.5	F132 Y136 H141	F132-P134 WeakPolarHBondContact O-CD 3.34Å; P134-Y136 VanDerWaalsContact C-N 3.31Å; P134-Y136 WeakPolarHBondContact CB-O 3.44Å; P134-Y136 WeakPolarHBondContact CG-O 3.29Å; P134-Y136 PolarHBondContact O-N 2.69Å; P134-H141 WeakPolarHBondContact CD-ND1 3.49Å; P134-H141 HydrophobicContact CG-CB 4.31Å
135	S	66.5	Low	79.2	Confident	118 Å²	118	49 Å²	49	83%	0.825	25%	0.254	S	S	*	.	S	Bend	trans	-65.6	-34.1	177.2	-60.2	0	0	0	0	112.6
136	Y	66.2	Low	78.8	Confident	136 Å²	136	54 Å²	54	53%	0.533	28%	0.28	S	S	.	.	S	Bend	trans	-104.6	138.8	173.8	58.1	-85.9	0	0	0	108.7	P134	P134-Y136 VanDerWaalsContact C-N 3.31Å; P134-Y136 WeakPolarHBondContact CB-O 3.44Å; P134-Y136 WeakPolarHBondContact CG-O 3.29Å; P134-Y136 PolarHBondContact O-N 2.69Å
137	N	68.2	Low	78.6	Confident	110 Å²	110	57.5 Å²	57.5	59%	0.588	30%	0.296	S	S	*	.			trans	69.9	51.6	-178.2	-58.1	-20.9	0	0	0	116.9	D139 S140	N137-D139 PolarHBondContact O-N 2.94Å; N137-S140 PolarHBondContact O-OG 3.42Å
138	Q	70.6	Confident	78.7	Confident	101 Å²	101	57.2 Å²	57.2	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-31.1	173.1	-65.5	-174.6	-8.6	0	0	113.3	Q133 H141 N142	Q133-Q138 HydrophobicContact CG-CG 4.48Å; Q138-H141 PolarHBondContact O-N 3.07Å; Q138-N142 WeakPolarHBondContact O-CB 3.05Å; Q138-N142 PolarHBondContact O-N 2.7Å; Q138-N142 PolarHBondContact O-ND2 3.12Å
139	D	77.2	Confident	78.3	Confident	138 Å²	138	57.5 Å²	57.5	74%	0.738	29%	0.294	S	S	*	.	H	α-helix	trans	-66.6	-42.1	-175.8	-65.9	-32.4	0	0	0	113.2	N137 N142 Y143	N137-D139 PolarHBondContact O-N 2.94Å; D139-N142 PolarHBondContact O-N 2.91Å; D139-Y143 WeakPolarHBondContact O-CB 3.32Å; D139-Y143 PolarHBondContact O-N 2.96Å
140	S	78.9	Confident	78.1	Confident	61 Å²	61	65.8 Å²	65.8	43%	0.427	33%	0.326	S	S	.	.	H	α-helix	trans	-68.1	-41	177.5	59.8	0	0	0	0	111.5	N137 Y143 I144	N137-S140 PolarHBondContact O-OG 3.42Å; S140-Y143 WeakPolarHBondContact O-CB 3.22Å; S140-Y143 PolarHBondContact O-N 2.93Å; S140-I144 WeakPolarHBondContact O-CG1 3.5Å; S140-I144 PolarHBondContact O-N 3.37Å
141	H	80.2	Confident	77.6	Confident	8 Å²	8	66 Å²	66	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-46.3	175.8	-172.5	93.3	0	0	0	111.3	F129 P134 Q138 Y143 I144 L145	F129-H141 AromaticContact CD1-CE1 3.53Å; F129-H141 AromaticContact CD1-NE2 3.71Å; F129-H141 AromaticContact CE1-CE1 3.19Å; F129-H141 WeakPolarHBondContact CE1-CE1 3.31Å; F129-H141 AromaticContact CE1-ND1 3.49Å; F129-H141 WeakPolarHBondContact CE1-ND1 3.46Å; F129-H141 AromaticContact CE1-NE2 3.58Å; F129-H141 AromaticContact CZ-CE1 3.49Å; F129-H141 VanDerWaalsContact CZ-CE1 3.49Å; F129-H141 WeakPolarHBondContact CZ-CE1 3.08Å; F129-H141 AromaticContact CZ-ND1 3.52Å; F129-H141 PolarHBondContact O-CE1 3.16Å; F129-H141 VanDerWaalsContact O-CE1 3.28Å; F129-H141 PolarHBondContact O-NE2 3.29Å; P134-H141 WeakPolarHBondContact CD-ND1 3.49Å; P134-H141 HydrophobicContact CG-CB 4.31Å; Q138-H141 PolarHBondContact O-N 3.07Å; H141-Y143 VanDerWaalsContact C-N 3.3Å; H141-Y143 PolarHBondContact O-N 3.38Å; H141-I144 PolarHBondContact O-N 3.4Å; H141-L145 WeakPolarHBondContact O-CB 3.4Å; H141-L145 PolarHBondContact O-N 2.84Å
142	N	80.6	Confident	77.2	Confident	57 Å²	57	66.7 Å²	66.7	31%	0.305	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-36.2	175.8	-74.5	-37	0	0	0	112.4	Q138 D139 N146	Q138-N142 WeakPolarHBondContact O-CB 3.05Å; Q138-N142 PolarHBondContact O-N 2.7Å; Q138-N142 PolarHBondContact O-ND2 3.12Å; D139-N142 PolarHBondContact O-N 2.91Å; N142-N146 WeakPolarHBondContact O-CB 3.33Å; N142-N146 VanDerWaalsContact O-CG 3.29Å; N142-N146 PolarHBondContact O-N 2.89Å; N142-N146 PolarHBondContact O-ND2 3.42Å
143	Y	84.1	Confident	76.6	Confident	163 Å²	163	68.1 Å²	68.1	64%	0.639	35%	0.348	S	S	*	.	H	α-helix	trans	-62.9	-49.4	175.2	177.4	-91.7	0	0	0	111.6	D139 S140 H141 L145 N146 E147	D139-Y143 WeakPolarHBondContact O-CB 3.32Å; D139-Y143 PolarHBondContact O-N 2.96Å; S140-Y143 WeakPolarHBondContact O-CB 3.22Å; S140-Y143 PolarHBondContact O-N 2.93Å; H141-Y143 VanDerWaalsContact C-N 3.3Å; H141-Y143 PolarHBondContact O-N 3.38Å; Y143-L145 PolarHBondContact O-N 3.23Å; Y143-N146 PolarHBondContact O-N 2.87Å; Y143-E147 PolarHBondContact O-N 2.62Å
144	I	84.3	Confident	75.8	Confident	30 Å²	30	72.4 Å²	72.4	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-44.7	178.3	-66	168.8	0	0	0	110.6	F129 S140 H141 N146 E147 F148 E184	F129-I144 HydrophobicContact CE1-CB 4.34Å; F129-I144 HydrophobicContact CE1-CG2 3.96Å; F129-I144 HydrophobicContact CZ-CB 4.48Å; F129-I144 HydrophobicContact CZ-CG2 3.98Å; S140-I144 WeakPolarHBondContact O-CG1 3.5Å; S140-I144 PolarHBondContact O-N 3.37Å; H141-I144 PolarHBondContact O-N 3.4Å; I144-N146 PolarHBondContact O-N 3.37Å; I144-E147 WeakPolarHBondContact O-CB 3.49Å; I144-E147 PolarHBondContact O-N 3.3Å; I144-E147 VanDerWaalsContact O-N 3.14Å; I144-F148 HydrophobicContact CG2-CD2 4.14Å; I144-F148 HydrophobicContact CG2-CE1 3.92Å; I144-F148 HydrophobicContact CG2-CE2 3.48Å; I144-F148 VanDerWaalsContact CG2-CE2 3.48Å; I144-F148 HydrophobicContact CG2-CZ 3.36Å; I144-F148 WeakPolarHBondContact O-CG 3.46Å; I144-F148 PolarHBondContact O-N 2.97Å; I144-E184 HydrophobicContact CG2-CG 4.28Å
145	L	83.7	Confident	75	Confident	14 Å²	14	77.1 Å²	77.1	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-59.8	-45.3	177.4	-176.9	63	0	0	0	111.6	A126 F129 D130 H141 Y143 E147 F148 M149	A126-L145 HydrophobicContact CB-CD1 4.01Å; A126-L145 WeakPolarHBondContact O-CD1 3.45Å; F129-L145 HydrophobicContact CD1-CD1 4.36Å; D130-L145 HydrophobicContact CB-CD1 4.43Å; D130-L145 HydrophobicContact CB-CD2 4.07Å; D130-L145 WeakPolarHBondContact OD1-CD2 3.39Å; H141-L145 WeakPolarHBondContact O-CB 3.4Å; H141-L145 PolarHBondContact O-N 2.84Å; Y143-L145 PolarHBondContact O-N 3.23Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.46Å; L145-F148 PolarHBondContact O-N 3.19Å; L145-M149 VanDerWaalsContact O-CG 3.28Å; L145-M149 WeakPolarHBondContact O-CG 3.1Å; L145-M149 PolarHBondContact O-N 2.88Å
146	N	81.6	Confident	74.1	Confident	104 Å²	104	77 Å²	77	56%	0.556	39%	0.391	S	S	*	.	H	α-helix	trans	-62.8	-36.6	175.4	-78.6	-40.5	0	0	0	112.5	N142 Y143 I144 M149 R150	N142-N146 WeakPolarHBondContact O-CB 3.33Å; N142-N146 VanDerWaalsContact O-CG 3.29Å; N142-N146 PolarHBondContact O-N 2.89Å; N142-N146 PolarHBondContact O-ND2 3.42Å; Y143-N146 PolarHBondContact O-N 2.87Å; I144-N146 PolarHBondContact O-N 3.37Å; N146-M149 PolarHBondContact O-N 3.24Å; N146-R150 PolarHBondContact O-N 2.94Å
147	E	84.1	Confident	73.4	Confident	75 Å²	75	73.8 Å²	73.8	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-45.2	174.5	-166.1	-169.1	166.1	0	0	111.4	Y143 I144 L145 M149 R150 R188	Y143-E147 PolarHBondContact O-N 2.62Å; I144-E147 WeakPolarHBondContact O-CB 3.49Å; I144-E147 PolarHBondContact O-N 3.3Å; I144-E147 VanDerWaalsContact O-N 3.14Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.46Å; E147-M149 PolarHBondContact O-N 2.9Å; E147-R150 WeakPolarHBondContact O-CB 3.49Å; E147-R150 PolarHBondContact O-N 2.77Å; E147-R188 IonicContact OE1-NH1 2.73Å; E147-R188 IonicContact OE2-NH1 2.78Å
148	F	86.2	Confident	72.5	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63.2	-42.2	177.5	-62.8	-18.1	0	0	0	112	A126 F129 I144 L145 R150 C151 E184 C187 R188 I191	A126-F148 HydrophobicContact CB-CB 4.17Å; F129-F148 HydrophobicContact CD1-CE2 4.33Å; F129-F148 HydrophobicContact CE1-CE2 4.45Å; F129-F148 HydrophobicContact CG-CE2 4.47Å; I144-F148 HydrophobicContact CG2-CD2 4.14Å; I144-F148 HydrophobicContact CG2-CE1 3.92Å; I144-F148 HydrophobicContact CG2-CE2 3.48Å; I144-F148 VanDerWaalsContact CG2-CE2 3.48Å; I144-F148 HydrophobicContact CG2-CZ 3.36Å; I144-F148 WeakPolarHBondContact O-CG 3.46Å; I144-F148 PolarHBondContact O-N 2.97Å; L145-F148 PolarHBondContact O-N 3.19Å; F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 3.46Å; F148-C151 PolarHBondContact O-N 3.05Å; F148-E184 HydrophobicContact CE2-CG 4.38Å; F148-E184 HydrophobicContact CZ-CG 3.8Å; F148-C187 HydrophobicContact CD1-CB 4.45Å; F148-C187 HydrophobicContact CD2-CB 3.9Å; F148-C187 HydrophobicContact CE1-CB 4.11Å; F148-C187 HydrophobicContact CE2-CB 3.51Å; F148-C187 HydrophobicContact CG-CB 4.35Å; F148-C187 HydrophobicContact CZ-CB 3.61Å; F148-R188 HydrophobicContact CE1-CG 3.8Å; F148-R188 HydrophobicContact CZ-CG 4.05Å; F148-I191 HydrophobicContact CB-CD1 4.1Å; F148-I191 HydrophobicContact CD1-CD1 3.28Å; F148-I191 HydrophobicContact CE1-CD1 3.95Å; F148-I191 HydrophobicContact CG-CD1 3.95Å
149	M	80.7	Confident	71.6	Confident	7 Å²	7	75.5 Å²	75.5	3%	0.034	39%	0.392	C	S	.	.	H	α-helix	trans	-69.6	-29.4	-178.1	-67.6	-58.3	-69.3	0	0	113.4	R123 A126 L145 N146 E147 C151 C152 F157	R123-M149 HydrophobicContact CG-CE 4.29Å; R123-M149 HydrophobicContact CG-SD 4.44Å; R123-M149 VanDerWaalsContact NH1-CE 3.28Å; A126-M149 HydrophobicContact CB-SD 3.98Å; L145-M149 VanDerWaalsContact O-CG 3.28Å; L145-M149 WeakPolarHBondContact O-CG 3.1Å; L145-M149 PolarHBondContact O-N 2.88Å; N146-M149 PolarHBondContact O-N 3.24Å; E147-M149 PolarHBondContact O-N 2.9Å; M149-C151 PolarHBondContact O-N 3.35Å; M149-C151 VanDerWaalsContact O-N 3.09Å; M149-C152 PolarHBondContact O-N 3.34Å; M149-F157 HydrophobicContact CE-CD2 4.46Å
150	R	81.3	Confident	70.5	Confident	177 Å²	177	71.6 Å²	71.6	67%	0.668	37%	0.371	S	S	*	.	H	α-helix	trans	-54.6	-30.2	175.5	-168.8	175.3	-179.6	170.6	3.2	112.7	N146 E147 F148	N146-R150 PolarHBondContact O-N 2.94Å; E147-R150 WeakPolarHBondContact O-CB 3.49Å; E147-R150 PolarHBondContact O-N 2.77Å; F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 3.46Å
151	C	72.7	Confident	69.1	Low	18 Å²	18	74.5 Å²	74.5	12%	0.122	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-19.6	179.7	-61.1	0	0	0	0	114.1	K119 F148 M149 L194	K119-C151 WeakPolarHBondContact CE-O 3.47Å; F148-C151 PolarHBondContact O-N 3.05Å; M149-C151 PolarHBondContact O-N 3.35Å; M149-C151 VanDerWaalsContact O-N 3.09Å; C151-L194 HydrophobicContact CB-CD2 4.07Å
152	C	72.5	Confident	67.7	Low	16 Å²	16	80.5 Å²	80.5	11%	0.108	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.7	-171.3	-64.8	0	0	0	0	113.9	K119 V122 M149	K119-C152 PolarHBondContact O-SG 2.63Å; V122-C152 WeakPolarHBondContact CG1-SG 3.46Å; M149-C152 PolarHBondContact O-N 3.34Å
153	G	65.6	Low	66.3	Low	33 Å²	33	78.3 Å²	78.3	34%	0.34	40%	0.399	S	S	.	.	S	Bend	trans	74	134.3	-167.1	0	0	0	0	0	111.3	R123	R123-G153 PolarHBondContact NH1-O 2.86Å
154	N	57.9	Low	64.8	Low	130 Å²	130	72.4 Å²	72.4	70%	0.695	38%	0.381	S	S	*	.			trans	70.5	113.3	-176.6	-55.2	-20.1	0	0	0	116	R123 V156	R123-N154 PolarHBondContact NH1-O 3.25Å; R123-N154 PolarHBondContact NH2-O 2.99Å; N154-V156 PolarHBondContact O-N 2.99Å; N154-V156 VanDerWaalsContact O-N 3.16Å
155	N	52.2	Low	63.2	Low	124 Å²	124	81.6 Å²	81.6	66%	0.663	41%	0.413	S	S	*	.			trans	-80	20.2	178.5	-65	-8.8	0	0	0	114.5	F157	N155-F157 PolarHBondContact O-N 3.19Å
156	V	46.8	Very low	61.8	Low	116 Å²	116	86.2 Å²	86.2	70%	0.703	44%	0.437	S	S	*	.			trans	-78.5	96.1	-177.8	-173.8	0	0	0	0	109.9	R123 N154	R123-V156 PolarHBondContact NH2-O 2.87Å; N154-V156 PolarHBondContact O-N 2.99Å; N154-V156 VanDerWaalsContact O-N 3.16Å
157	F	51.7	Low	60.5	Low	68 Å²	68	81.4 Å²	81.4	30%	0.298	41%	0.411	S	S	.	.			trans	-112.3	127.1	165.2	-144.7	-90.5	0	0	0	108.9	D130 M149 N155 K159	D130-F157 HydrophobicContact CB-CE1 4.17Å; D130-F157 HydrophobicContact CB-CZ 4.09Å; D130-F157 WeakPolarHBondContact OD2-CE1 3.37Å; M149-F157 HydrophobicContact CE-CD2 4.46Å; N155-F157 PolarHBondContact O-N 3.19Å; F157-K159 PolarHBondContact O-N 2.75Å
158	S	49.6	Very low	59.4	Low	91 Å²	91	78.5 Å²	78.5	64%	0.636	40%	0.398	S	S	*	.			trans	-77	110.5	157.5	172.1	0	0	0	0	105	N160	S158-N160 PolarHBondContact O-N 2.92Å
159	K	52	Low	58.2	Low	155 Å²	155	82.1 Å²	82.1	67%	0.674	42%	0.422	S	S	*	.			trans	-53.9	114.2	174.3	-63.5	-176.3	174.1	-177.8	0	107	F157 Q161	F157-K159 PolarHBondContact O-N 2.75Å; K159-Q161 HydrophobicContact CB-CG 3.9Å; K159-Q161 HydrophobicContact CD-CG 4.46Å; K159-Q161 PolarHBondContact O-N 3.25Å
160	N	53	Low	57.4	Low	57 Å²	57	89.5 Å²	89.5	31%	0.305	46%	0.462	S	S	.	.			trans	-79.7	51.7	176.3	-90.7	-13.9	0	0	0	109.2	W73 S158 D162 A163 T164	W73-N160 VanDerWaalsContact CH2-ND2 3.34Å; W73-N160 WeakPolarHBondContact CH2-ND2 3.35Å; S158-N160 PolarHBondContact O-N 2.92Å; N160-D162 PolarHBondContact O-N 3.21Å; N160-D162 VanDerWaalsContact O-N 3.12Å; N160-A163 HydrophobicContact CB-CB 3.99Å; N160-A163 PolarHBondContact O-N 3.1Å; N160-T164 PolarHBondContact O-N 2.89Å
161	Q	49.8	Very low	56.9	Low	122 Å²	122	82.7 Å²	82.7	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-56.8	-28.7	179.4	-75.5	-172.8	-21.6	0	0	111.8	K159 T164	K159-Q161 HydrophobicContact CB-CG 3.9Å; K159-Q161 HydrophobicContact CD-CG 4.46Å; K159-Q161 PolarHBondContact O-N 3.25Å; Q161-T164 PolarHBondContact O-OG1 2.83Å
162	D	50.5	Low	57.2	Low	134 Å²	134	86.9 Å²	86.9	72%	0.717	46%	0.46	S	S	*	.	H	α-helix	trans	-73.9	-31.2	177	-62.4	-29.5	0	0	0	112	N160 I166	N160-D162 PolarHBondContact O-N 3.21Å; N160-D162 VanDerWaalsContact O-N 3.12Å; D162-I166 WeakPolarHBondContact O-CD1 3.43Å; D162-I166 WeakPolarHBondContact O-CG1 3.3Å
163	A	51.5	Low	57.5	Low	10 Å²	10	89 Å²	89	8%	0.083	48%	0.475	C	S	.	.	H	α-helix	trans	-74.1	-38.4	-178.6	0	0	0	0	0	112.3	W73 N160 R165 I166 V167	W73-A163 HydrophobicContact CZ3-CB 4.12Å; N160-A163 HydrophobicContact CB-CB 3.99Å; N160-A163 PolarHBondContact O-N 3.1Å; A163-R165 VanDerWaalsContact C-N 3.27Å; A163-R165 PolarHBondContact O-N 3.45Å; A163-I166 PolarHBondContact O-N 2.8Å; A163-I166 VanDerWaalsContact O-N 3.12Å; A163-V167 HydrophobicContact CB-CG2 4.21Å; A163-V167 VanDerWaalsContact O-CB 3.3Å; A163-V167 WeakPolarHBondContact O-CB 3.41Å; A163-V167 WeakPolarHBondContact O-CG2 3.45Å; A163-V167 PolarHBondContact O-N 2.96Å
164	T	53.4	Low	58.3	Low	40 Å²	40	93.9 Å²	93.9	25%	0.245	49%	0.489	C	S	.	.	H	α-helix	trans	-58.8	-36.5	-177.4	52.3	0	0	0	0	112.5	Q133 N160 Q161	Q133-T164 HydrophobicContact CB-CG2 4.47Å; N160-T164 PolarHBondContact O-N 2.89Å; Q161-T164 PolarHBondContact O-OG1 2.83Å
165	R	51.1	Low	59.4	Low	223 Å²	223	89.9 Å²	89.9	84%	0.842	47%	0.469	S	S	*	.	H	α-helix	trans	-78.9	-25.1	177.4	-78.7	-174	-165.4	-177.8	5.1	114.8	A163	A163-R165 VanDerWaalsContact C-N 3.27Å; A163-R165 PolarHBondContact O-N 3.45Å
166	I	53.1	Low	60.8	Low	111 Å²	111	86.2 Å²	86.2	57%	0.569	45%	0.446	S	S	*	.	H	α-helix	trans	-98.4	-26.7	-166	-63.6	173.3	0	0	0	112.5	D162 A163	D162-I166 WeakPolarHBondContact O-CD1 3.43Å; D162-I166 WeakPolarHBondContact O-CG1 3.3Å; A163-I166 PolarHBondContact O-N 2.8Å; A163-I166 VanDerWaalsContact O-N 3.12Å
167	V	55.2	Low	62.5	Low	3 Å²	3	84 Å²	84	2%	0.018	43%	0.43	C	S	.	.	S	Bend	trans	-84.9	-37.5	-156.8	159.3	0	0	0	0	114.6	C76 L77 K86 V131 A163	C76-V167 HydrophobicContact CB-CB 4.24Å; C76-V167 HydrophobicContact CB-CG1 3.32Å; C76-V167 HydrophobicContact CB-CG2 3.88Å; C76-V167 VanDerWaalsContact SG-CG1 3.53Å; L77-V167 HydrophobicContact CD2-CG2 3.95Å; K86-V167 PolarHBondContact NZ-O 3.08Å; V131-V167 HydrophobicContact CG1-CG1 4.09Å; A163-V167 HydrophobicContact CB-CG2 4.21Å; A163-V167 VanDerWaalsContact O-CB 3.3Å; A163-V167 WeakPolarHBondContact O-CB 3.41Å; A163-V167 WeakPolarHBondContact O-CG2 3.45Å; A163-V167 PolarHBondContact O-N 2.96Å
168	L	61.5	Low	64.1	Low	14 Å²	14	87.5 Å²	87.5	7%	0.073	44%	0.442	C	S	.	.			trans	-140.6	59.8	-171.9	-68.2	163.3	0	0	0	112	K86 F132 N170 I171 W176	K86-L168 HydrophobicContact CB-CD2 3.83Å; K86-L168 HydrophobicContact CD-CD2 3.71Å; K86-L168 HydrophobicContact CG-CD2 4.43Å; F132-L168 HydrophobicContact CD1-CD1 4.49Å; F132-L168 HydrophobicContact CE1-CD1 3.52Å; F132-L168 HydrophobicContact CE2-CD1 4.42Å; F132-L168 HydrophobicContact CZ-CD1 3.47Å; F132-L168 VanDerWaalsContact CZ-CD1 3.47Å; L168-N170 PolarHBondContact O-N 3.11Å; L168-I171 HydrophobicContact CB-CD1 3.61Å; L168-I171 HydrophobicContact CB-CG1 4.04Å; L168-I171 HydrophobicContact CD1-CD1 3.86Å; L168-I171 HydrophobicContact CD2-CD1 3.38Å; L168-I171 HydrophobicContact CD2-CG1 4.39Å; L168-I171 HydrophobicContact CG-CD1 3.72Å; L168-W176 HydrophobicContact CB-CZ3 3.94Å; L168-W176 HydrophobicContact CD1-CZ3 4.11Å
169	C	60.1	Low	65.7	Low	75 Å²	75	83.4 Å²	83.4	51%	0.507	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	136.2	171.8	-52	0	0	0	0	110.1	T83	T83-C169 VanDerWaalsContact CG2-O 3.32Å; T83-C169 WeakPolarHBondContact CG2-O 3.44Å
170	N	64.3	Low	67.2	Low	163 Å²	163	77 Å²	77	87%	0.872	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	29.7	173.9	-53	-20.1	0	0	0	117.1	L168	L168-N170 PolarHBondContact O-N 3.11Å
171	I	70.9	Confident	68.8	Low	33 Å²	33	76.8 Å²	76.8	17%	0.169	39%	0.393	C	S	.	.			trans	-79.3	137.8	165	-67.2	-168.1	0	0	0	109.9	V87 L168 V175 W176	V87-I171 HydrophobicContact CG2-CD1 3.49Å; V87-I171 VanDerWaalsContact CG2-CD1 3.49Å; V87-I171 HydrophobicContact CG2-CG1 4.47Å; L168-I171 HydrophobicContact CB-CD1 3.61Å; L168-I171 HydrophobicContact CB-CG1 4.04Å; L168-I171 HydrophobicContact CD1-CD1 3.86Å; L168-I171 HydrophobicContact CD2-CD1 3.38Å; L168-I171 HydrophobicContact CD2-CG1 4.39Å; L168-I171 HydrophobicContact CG-CD1 3.72Å; I171-V175 HydrophobicContact CG2-CB 3.88Å; I171-V175 HydrophobicContact CG2-CG1 4Å; I171-W176 HydrophobicContact CB-CE3 4.49Å; I171-W176 HydrophobicContact CG2-CB 4.31Å
172	D	78.8	Confident	70.5	Confident	106 Å²	106	74.9 Å²	74.9	57%	0.567	38%	0.384	S	S	*	.			trans	-61.6	137.4	174.2	-160.1	-12.4	0	0	0	110.9	E174 V175 W176	D172-E174 PolarHBondContact O-N 3.06Å; D172-E174 VanDerWaalsContact O-N 3.16Å; D172-V175 HydrophobicContact CB-CG2 4.22Å; D172-V175 PolarHBondContact O-N 3.16Å; D172-W176 PolarHBondContact O-N 3.29Å
173	S	79.5	Confident	72.2	Confident	62 Å²	62	68.5 Å²	68.5	43%	0.434	35%	0.35	S	S	.	.	H	α-helix	trans	-56	-38.4	-175.1	-165.1	0	0	0	0	111.4	V175 W176 D177	S173-V175 VanDerWaalsContact C-N 3.3Å; S173-V175 PolarHBondContact O-N 3.47Å; S173-W176 WeakPolarHBondContact O-CB 3.4Å; S173-W176 PolarHBondContact O-N 3.3Å; S173-D177 VanDerWaalsContact O-CG 3.3Å; S173-D177 PolarHBondContact O-N 3.09Å
174	E	81.6	Confident	74	Confident	135 Å²	135	70.4 Å²	70.4	63%	0.631	36%	0.357	S	S	*	.	H	α-helix	trans	-64.1	-33.4	178.4	-64.8	-171.5	-179.8	0	0	113.5	D172 R178	D172-E174 PolarHBondContact O-N 3.06Å; D172-E174 VanDerWaalsContact O-N 3.16Å; E174-R178 WeakPolarHBondContact O-CB 3.44Å; E174-R178 PolarHBondContact O-N 3.07Å
175	V	80.8	Confident	75.7	Confident	46 Å²	46	75.4 Å²	75.4	28%	0.279	37%	0.372	S	S	.	.	H	α-helix	trans	-76.8	-40.7	178.5	177.4	0	0	0	0	109.7	V87 I171 D172 S173 R178 V179	V87-V175 HydrophobicContact CB-CG1 4.45Å; V87-V175 HydrophobicContact CG1-CG1 3.67Å; V87-V175 HydrophobicContact CG2-CG1 3.95Å; I171-V175 HydrophobicContact CG2-CB 3.88Å; I171-V175 HydrophobicContact CG2-CG1 4Å; D172-V175 HydrophobicContact CB-CG2 4.22Å; D172-V175 PolarHBondContact O-N 3.16Å; S173-V175 VanDerWaalsContact C-N 3.3Å; S173-V175 PolarHBondContact O-N 3.47Å; V175-R178 PolarHBondContact O-N 3.37Å; V175-V179 HydrophobicContact CG1-CG2 4.49Å; V175-V179 WeakPolarHBondContact O-CG2 3.48Å; V175-V179 PolarHBondContact O-N 2.91Å
176	W	81	Confident	77.6	Confident	47 Å²	47	65.1 Å²	65.1	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-56.8	-51.6	174	-173.6	-80.6	0	0	0	111.5	F132 L168 I171 D172 S173 R178 V179 T180	F132-W176 VanDerWaalsContact C-CZ2 3.47Å; F132-W176 HydrophobicContact CB-CZ2 4.05Å; F132-W176 AromaticContact CD1-CD2 3.8Å; F132-W176 HydrophobicContact CD1-CD2 3.8Å; F132-W176 AromaticContact CD1-CE2 3.78Å; F132-W176 AromaticContact CD1-CE3 3.99Å; F132-W176 HydrophobicContact CD1-CE3 3.99Å; F132-W176 HydrophobicContact CD1-CG 4.39Å; F132-W176 HydrophobicContact CD1-CH2 4.19Å; F132-W176 HydrophobicContact CD1-CZ2 4.02Å; F132-W176 HydrophobicContact CD1-CZ3 4.18Å; F132-W176 HydrophobicContact CE1-CD2 4.44Å; F132-W176 HydrophobicContact CE1-CE3 4.25Å; F132-W176 HydrophobicContact CE1-CZ3 4.41Å; F132-W176 HydrophobicContact CG-CZ2 4.34Å; F132-W176 PolarHBondContact O-NE1 2.94Å; L168-W176 HydrophobicContact CB-CZ3 3.94Å; L168-W176 HydrophobicContact CD1-CZ3 4.11Å; I171-W176 HydrophobicContact CB-CE3 4.49Å; I171-W176 HydrophobicContact CG2-CB 4.31Å; D172-W176 PolarHBondContact O-N 3.29Å; S173-W176 WeakPolarHBondContact O-CB 3.4Å; S173-W176 PolarHBondContact O-N 3.3Å; W176-R178 VanDerWaalsContact C-N 3.32Å; W176-R178 PolarHBondContact O-N 2.87Å; W176-V179 PolarHBondContact O-N 3.19Å; W176-T180 WeakPolarHBondContact O-CB 3.47Å; W176-T180 PolarHBondContact O-N 3.39Å; W176-T180 PolarHBondContact O-OG1 2.85Å
177	D	83.2	Confident	79.4	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-38.4	-178.6	-69.6	-28.5	0	0	0	111.9	S173 T180 A181	S173-D177 VanDerWaalsContact O-CG 3.3Å; S173-D177 PolarHBondContact O-N 3.09Å; D177-T180 PolarHBondContact O-N 2.8Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.37Å
178	R	84.7	Confident	81	Confident	141 Å²	141	64.1 Å²	64.1	53%	0.532	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-50.2	176.6	-172.8	-167.5	-43.4	-95	-7.8	112.4	E174 V175 W176 T180 A181 E182	E174-R178 WeakPolarHBondContact O-CB 3.44Å; E174-R178 PolarHBondContact O-N 3.07Å; V175-R178 PolarHBondContact O-N 3.37Å; W176-R178 VanDerWaalsContact C-N 3.32Å; W176-R178 PolarHBondContact O-N 2.87Å; R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 3.01Å; R178-A181 PolarHBondContact O-N 3.23Å; R178-E182 WeakPolarHBondContact O-CG 3.26Å; R178-E182 PolarHBondContact O-N 3.13Å
179	V	82.9	Confident	82.4	Confident	5 Å²	5	65 Å²	65	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-40.4	179.6	173.5	0	0	0	0	110.4	V87 I90 L94 F132 V175 W176 A181 E182 M183	V87-V179 HydrophobicContact CG1-CG2 4.04Å; I90-V179 HydrophobicContact CG2-CG1 4.01Å; L94-V179 HydrophobicContact CD1-CG1 4.36Å; F132-V179 HydrophobicContact CD1-CG1 4.48Å; F132-V179 HydrophobicContact CE1-CB 4.36Å; F132-V179 HydrophobicContact CE1-CG1 3.89Å; F132-V179 HydrophobicContact CE2-CG1 4.42Å; F132-V179 HydrophobicContact CZ-CG1 3.85Å; V175-V179 HydrophobicContact CG1-CG2 4.49Å; V175-V179 WeakPolarHBondContact O-CG2 3.48Å; V175-V179 PolarHBondContact O-N 2.91Å; W176-V179 PolarHBondContact O-N 3.19Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.24Å; V179-E182 PolarHBondContact O-N 2.89Å; V179-M183 HydrophobicContact CG1-CE 3.89Å; V179-M183 WeakPolarHBondContact O-CG 3.13Å; V179-M183 PolarHBondContact O-N 3.34Å
180	T	84.6	Confident	83.9	Confident	19 Å²	19	61.4 Å²	61.4	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-44.5	175.7	-53.9	0	0	0	0	111.2	F129 F132 W176 D177 R178 M183 E184	F129-T180 HydrophobicContact CD2-CG2 4.25Å; F129-T180 HydrophobicContact CE2-CG2 3.7Å; F129-T180 HydrophobicContact CZ-CG2 4.49Å; F132-T180 HydrophobicContact CB-CG2 4.33Å; F132-T180 WeakPolarHBondContact CB-OG1 3.26Å; W176-T180 WeakPolarHBondContact O-CB 3.47Å; W176-T180 PolarHBondContact O-N 3.39Å; W176-T180 PolarHBondContact O-OG1 2.85Å; D177-T180 PolarHBondContact O-N 2.8Å; R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 3.01Å; T180-M183 PolarHBondContact O-N 3.41Å; T180-E184 WeakPolarHBondContact O-CB 3.43Å; T180-E184 PolarHBondContact O-N 3.37Å
181	A	86.4	Confident	85.1	Confident	54 Å²	54	54.2 Å²	54.2	45%	0.446	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-39.4	176.8	0	0	0	0	0	112.9	D177 R178 V179 E184 Y185	D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.37Å; R178-A181 PolarHBondContact O-N 3.23Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.24Å; A181-E184 PolarHBondContact O-N 2.95Å; A181-Y185 VanDerWaalsContact O-CB 3.31Å; A181-Y185 WeakPolarHBondContact O-CB 3.36Å; A181-Y185 PolarHBondContact O-N 2.87Å
182	E	85.1	Confident	86.1	Confident	81 Å²	81	57 Å²	57	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-42.8	173.9	-75.3	-179.8	-174.8	0	0	111.7	L94 R178 V179 Y185 L186	L94-E182 HydrophobicContact CD1-CB 4.14Å; R178-E182 WeakPolarHBondContact O-CG 3.26Å; R178-E182 PolarHBondContact O-N 3.13Å; V179-E182 PolarHBondContact O-N 2.89Å; E182-Y185 PolarHBondContact O-N 3.47Å; E182-L186 VanDerWaalsContact O-CB 3.32Å; E182-L186 WeakPolarHBondContact O-CB 3.12Å; E182-L186 PolarHBondContact O-N 2.87Å
183	M	87.3	Confident	86.6	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-45.4	174.7	-72.8	-167	-178.6	0	0	112	F72 I90 L94 W128 F129 F132 V179 T180 L186 C187	F72-M183 HydrophobicContact CE2-CE 3.94Å; F72-M183 HydrophobicContact CZ-CE 4.42Å; I90-M183 HydrophobicContact CG2-CE 3.39Å; L94-M183 HydrophobicContact CD1-CE 4.08Å; L94-M183 HydrophobicContact CD1-CG 3.6Å; L94-M183 HydrophobicContact CD2-CE 4.21Å; L94-M183 HydrophobicContact CD2-CG 3.68Å; L94-M183 HydrophobicContact CG-CE 4.48Å; L94-M183 HydrophobicContact CG-CG 4.27Å; W128-M183 HydrophobicContact CB-CE 4.37Å; W128-M183 HydrophobicContact CB-SD 4.08Å; F129-M183 HydrophobicContact CD2-CB 4.24Å; F132-M183 HydrophobicContact CD2-CE 3.9Å; F132-M183 HydrophobicContact CD2-SD 3.75Å; F132-M183 HydrophobicContact CE2-CE 3.4Å; F132-M183 HydrophobicContact CE2-SD 3.91Å; F132-M183 HydrophobicContact CZ-CE 4.07Å; V179-M183 HydrophobicContact CG1-CE 3.89Å; V179-M183 WeakPolarHBondContact O-CG 3.13Å; V179-M183 PolarHBondContact O-N 3.34Å; T180-M183 PolarHBondContact O-N 3.41Å; M183-L186 PolarHBondContact O-N 3.04Å; M183-C187 WeakPolarHBondContact O-CB 3.42Å; M183-C187 PolarHBondContact O-N 3.46Å; M183-C187 PolarHBondContact O-SG 3.41Å
184	E	88.4	Confident	87.1	Confident	50 Å²	50	49.7 Å²	49.7	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-47.7	177.2	-167.4	-168.2	149.5	0	0	110.9	F129 I144 F148 T180 A181 L186 C187 R188	F129-E184 HydrophobicContact CD2-CB 4.42Å; F129-E184 HydrophobicContact CE2-CB 3.9Å; F129-E184 HydrophobicContact CE2-CG 4.29Å; I144-E184 HydrophobicContact CG2-CG 4.28Å; F148-E184 HydrophobicContact CE2-CG 4.38Å; F148-E184 HydrophobicContact CZ-CG 3.8Å; T180-E184 WeakPolarHBondContact O-CB 3.43Å; T180-E184 PolarHBondContact O-N 3.37Å; A181-E184 PolarHBondContact O-N 2.95Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 3.25Å; E184-C187 WeakPolarHBondContact O-CB 3.41Å; E184-C187 PolarHBondContact O-N 2.89Å; E184-R188 WeakPolarHBondContact O-CB 3.43Å; E184-R188 WeakPolarHBondContact O-CG 3.42Å; E184-R188 PolarHBondContact O-N 3.32Å; E184-R188 IonicContact OE1-CZ 3.8Å; E184-R188 IonicContact OE1-NE 3.88Å; E184-R188 PolarHBondContact OE1-NE 3.23Å; E184-R188 IonicContact OE1-NH2 2.91Å; E184-R188 PolarHBondContact OE1-NH2 3.39Å
185	Y	89.8	Confident	87.5	Confident	144 Å²	144	48 Å²	48	57%	0.565	23%	0.227	S	C	*	.	H	α-helix	trans	-56.7	-47.3	176.9	175.6	-95.6	0	0	0	111.2	A181 E182 R188 Q189	A181-Y185 VanDerWaalsContact O-CB 3.31Å; A181-Y185 WeakPolarHBondContact O-CB 3.36Å; A181-Y185 PolarHBondContact O-N 2.87Å; E182-Y185 PolarHBondContact O-N 3.47Å; Y185-R188 PolarHBondContact O-N 2.92Å; Y185-Q189 WeakPolarHBondContact O-CB 3.49Å; Y185-Q189 PolarHBondContact O-N 3.5Å
186	L	89.9	Confident	87.8	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-40.2	179.9	-174.2	62.9	0	0	0	112.4	L94 L97 L101 L125 E182 M183 E184 Q189 A190	L94-L186 HydrophobicContact CB-CD2 4.18Å; L94-L186 HydrophobicContact CD2-CD2 3.81Å; L94-L186 WeakPolarHBondContact O-CD2 3.44Å; L97-L186 HydrophobicContact CB-CD2 3.94Å; L101-L186 HydrophobicContact CD1-CD1 3.78Å; L101-L186 HydrophobicContact CD1-CG 4.48Å; L125-L186 HydrophobicContact CD1-CD2 4.23Å; L125-L186 HydrophobicContact CD1-CG 3.91Å; L125-L186 HydrophobicContact CD2-CD2 3.68Å; L125-L186 HydrophobicContact CD2-CG 4.22Å; E182-L186 VanDerWaalsContact O-CB 3.32Å; E182-L186 WeakPolarHBondContact O-CB 3.12Å; E182-L186 PolarHBondContact O-N 2.87Å; M183-L186 PolarHBondContact O-N 3.04Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 3.25Å; L186-Q189 PolarHBondContact O-N 2.83Å; L186-A190 WeakPolarHBondContact O-CB 3.38Å; L186-A190 PolarHBondContact O-N 3.4Å
187	C	90.8	Very high	88.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-48.5	171.7	-71.3	0	0	0	0	111	L125 F148 M183 E184 Q189 A190 I191	L125-C187 WeakPolarHBondContact CB-SG 3.26Å; F148-C187 HydrophobicContact CD1-CB 4.45Å; F148-C187 HydrophobicContact CD2-CB 3.9Å; F148-C187 HydrophobicContact CE1-CB 4.11Å; F148-C187 HydrophobicContact CE2-CB 3.51Å; F148-C187 HydrophobicContact CG-CB 4.35Å; F148-C187 HydrophobicContact CZ-CB 3.61Å; M183-C187 WeakPolarHBondContact O-CB 3.42Å; M183-C187 PolarHBondContact O-N 3.46Å; M183-C187 PolarHBondContact O-SG 3.41Å; E184-C187 WeakPolarHBondContact O-CB 3.41Å; E184-C187 PolarHBondContact O-N 2.89Å; C187-Q189 VanDerWaalsContact C-N 3.32Å; C187-Q189 PolarHBondContact O-N 3.41Å; C187-A190 PolarHBondContact O-N 3.41Å; C187-I191 VanDerWaalsContact O-CG1 3.3Å; C187-I191 WeakPolarHBondContact O-CG1 2.87Å; C187-I191 PolarHBondContact O-N 3.25Å
188	R	90.1	Very high	88.4	Confident	93 Å²	93	45.7 Å²	45.7	35%	0.351	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-39.3	178.6	-71.6	-179.4	-175.7	-68.5	-1.6	111.6	E147 F148 E184 Y185 I191 N192	E147-R188 IonicContact OE1-NH1 2.73Å; E147-R188 IonicContact OE2-NH1 2.78Å; F148-R188 HydrophobicContact CE1-CG 3.8Å; F148-R188 HydrophobicContact CZ-CG 4.05Å; E184-R188 WeakPolarHBondContact O-CB 3.43Å; E184-R188 WeakPolarHBondContact O-CG 3.42Å; E184-R188 PolarHBondContact O-N 3.32Å; E184-R188 IonicContact OE1-CZ 3.8Å; E184-R188 IonicContact OE1-NE 3.88Å; E184-R188 PolarHBondContact OE1-NE 3.23Å; E184-R188 IonicContact OE1-NH2 2.91Å; E184-R188 PolarHBondContact OE1-NH2 3.39Å; Y185-R188 PolarHBondContact O-N 2.92Å; R188-I191 PolarHBondContact O-N 2.98Å; R188-N192 WeakPolarHBondContact O-CB 3.44Å; R188-N192 PolarHBondContact O-N 3.09Å
189	Q	89.8	Confident	88.6	Confident	33 Å²	33	43.7 Å²	43.7	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-47.9	173.8	-175	174.8	5.7	0	0	111.2	Y185 L186 C187 I191 N192 C193	Y185-Q189 WeakPolarHBondContact O-CB 3.49Å; Y185-Q189 PolarHBondContact O-N 3.5Å; L186-Q189 PolarHBondContact O-N 2.83Å; C187-Q189 VanDerWaalsContact C-N 3.32Å; C187-Q189 PolarHBondContact O-N 3.41Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-I191 PolarHBondContact O-N 3.35Å; Q189-N192 WeakPolarHBondContact O-CB 3.1Å; Q189-N192 PolarHBondContact O-N 3.04Å; Q189-N192 VanDerWaalsContact O-N 3.13Å; Q189-C193 PolarHBondContact O-N 3.46Å; Q189-C193 PolarHBondContact O-SG 3.34Å
190	A	91.8	Very high	88.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-42.4	176.5	0	0	0	0	0	112.1	L101 V122 L125 L186 C187 C193 L194	L101-A190 HydrophobicContact CD1-CB 3.62Å; L101-A190 HydrophobicContact CD2-CB 4.26Å; V122-A190 HydrophobicContact CG2-CB 3.75Å; L125-A190 HydrophobicContact CD1-CB 4.11Å; L186-A190 WeakPolarHBondContact O-CB 3.38Å; L186-A190 PolarHBondContact O-N 3.4Å; C187-A190 PolarHBondContact O-N 3.41Å; A190-C193 WeakPolarHBondContact O-CB 3.42Å; A190-C193 PolarHBondContact O-N 3.37Å; A190-L194 WeakPolarHBondContact O-CB 3.47Å; A190-L194 PolarHBondContact O-N 2.74Å
191	I	90.3	Very high	89	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.062	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-39.2	175.5	-70.1	166.3	0	0	0	111.3	V122 F148 C187 R188 Q189 L194 K195	V122-I191 HydrophobicContact CG1-CD1 4.12Å; V122-I191 HydrophobicContact CG1-CG1 3.75Å; V122-I191 HydrophobicContact CG2-CG1 4.04Å; F148-I191 HydrophobicContact CB-CD1 4.1Å; F148-I191 HydrophobicContact CD1-CD1 3.28Å; F148-I191 HydrophobicContact CE1-CD1 3.95Å; F148-I191 HydrophobicContact CG-CD1 3.95Å; C187-I191 VanDerWaalsContact O-CG1 3.3Å; C187-I191 WeakPolarHBondContact O-CG1 2.87Å; C187-I191 PolarHBondContact O-N 3.25Å; R188-I191 PolarHBondContact O-N 2.98Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-I191 PolarHBondContact O-N 3.35Å; I191-L194 WeakPolarHBondContact O-CB 3.47Å; I191-L194 PolarHBondContact O-N 2.95Å; I191-K195 HydrophobicContact CG2-CD 4.21Å; I191-K195 WeakPolarHBondContact O-CG 3.41Å; I191-K195 PolarHBondContact O-N 3.04Å
192	N	90.4	Very high	89	Confident	90 Å²	90	57.9 Å²	57.9	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-45.4	175.8	-171	30.9	0	0	0	111.1	R188 Q189 L194 K195 I196	R188-N192 WeakPolarHBondContact O-CB 3.44Å; R188-N192 PolarHBondContact O-N 3.09Å; Q189-N192 WeakPolarHBondContact O-CB 3.1Å; Q189-N192 PolarHBondContact O-N 3.04Å; Q189-N192 VanDerWaalsContact O-N 3.13Å; N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 3.48Å; N192-K195 PolarHBondContact O-N 3.44Å; N192-I196 WeakPolarHBondContact O-CG1 3.14Å; N192-I196 PolarHBondContact O-N 2.87Å
193	C	90.3	Very high	88.9	Confident	15 Å²	15	56.4 Å²	56.4	10%	0.101	27%	0.27	C	S	.	.	H	α-helix	trans	-55.4	-44.4	171.7	-66	0	0	0	0	111.1	L101 V106 L118 Q189 A190 K195 I196 I197	L101-C193 HydrophobicContact CD2-CB 4.43Å; V106-C193 HydrophobicContact CG2-CB 4.35Å; L118-C193 HydrophobicContact CD2-CB 4.2Å; Q189-C193 PolarHBondContact O-N 3.46Å; Q189-C193 PolarHBondContact O-SG 3.34Å; A190-C193 WeakPolarHBondContact O-CB 3.42Å; A190-C193 PolarHBondContact O-N 3.37Å; C193-K195 PolarHBondContact O-N 3.34Å; C193-I196 PolarHBondContact O-N 2.96Å; C193-I197 WeakPolarHBondContact O-CB 3.46Å; C193-I197 VanDerWaalsContact O-CG1 3.29Å; C193-I197 WeakPolarHBondContact O-CG1 3.46Å; C193-I197 PolarHBondContact O-N 3.18Å
194	L	90	Very high	88.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-44.9	177.9	179	62.4	0	0	0	111.9	I115 L118 K119 C151 A190 I191 N192 A198 L205	I115-L194 HydrophobicContact CD1-CD1 3.79Å; I115-L194 HydrophobicContact CG1-CD1 3.37Å; L118-L194 HydrophobicContact CB-CD1 4.42Å; L118-L194 VanDerWaalsContact CD2-CA 3.47Å; L118-L194 HydrophobicContact CD2-CB 3.82Å; L118-L194 HydrophobicContact CD2-CD1 4.09Å; L118-L194 HydrophobicContact CG-CB 4.09Å; L118-L194 HydrophobicContact CG-CD1 4.22Å; K119-L194 HydrophobicContact CG-CD1 4.12Å; K119-L194 HydrophobicContact CG-CD2 4.05Å; C151-L194 HydrophobicContact CB-CD2 4.07Å; A190-L194 WeakPolarHBondContact O-CB 3.47Å; A190-L194 PolarHBondContact O-N 2.74Å; I191-L194 WeakPolarHBondContact O-CB 3.47Å; I191-L194 PolarHBondContact O-N 2.95Å; N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 3.48Å; L194-A198 WeakPolarHBondContact O-CB 3.33Å; L194-A198 PolarHBondContact O-N 2.93Å; L194-L205 HydrophobicContact CD1-CD2 3.96Å; L194-L205 HydrophobicContact CD2-CD1 4.48Å; L194-L205 HydrophobicContact CD2-CD2 4.25Å; L194-L205 HydrophobicContact CG-CD1 4.1Å; L194-L205 HydrophobicContact CG-CD2 3.97Å
195	K	89.5	Confident	87.8	Confident	100 Å²	100	60 Å²	60	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-46.4	176.8	-73.2	172.9	-179.6	175.6	0	111.7	I191 N192 C193 A198 C199 L205	I191-K195 HydrophobicContact CG2-CD 4.21Å; I191-K195 WeakPolarHBondContact O-CG 3.41Å; I191-K195 PolarHBondContact O-N 3.04Å; N192-K195 PolarHBondContact O-N 3.44Å; C193-K195 PolarHBondContact O-N 3.34Å; K195-A198 PolarHBondContact O-N 2.87Å; K195-C199 WeakPolarHBondContact O-CB 3.41Å; K195-C199 PolarHBondContact O-N 3.38Å; K195-C199 PolarHBondContact O-SG 3.29Å; K195-L205 HydrophobicContact CG-CD1 4.23Å
196	I	87.9	Confident	86.8	Confident	102 Å²	102	56.4 Å²	56.4	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-48.5	179.9	-68.2	166.4	0	0	0	110.7	N192 C193 C199 K200	N192-I196 WeakPolarHBondContact O-CG1 3.14Å; N192-I196 PolarHBondContact O-N 2.87Å; C193-I196 PolarHBondContact O-N 2.96Å; I196-C199 PolarHBondContact O-N 3.46Å; I196-K200 WeakPolarHBondContact O-CB 3.39Å; I196-K200 PolarHBondContact O-N 2.92Å
197	I	88.2	Confident	85.3	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-41.7	-179.4	-66.1	167.4	0	0	0	110.7	F109 L118 C193 C199 K200 H201	F109-I197 HydrophobicContact CB-CD1 3.84Å; L118-I197 HydrophobicContact CD2-CD1 3.92Å; C193-I197 WeakPolarHBondContact O-CB 3.46Å; C193-I197 VanDerWaalsContact O-CG1 3.29Å; C193-I197 WeakPolarHBondContact O-CG1 3.46Å; C193-I197 PolarHBondContact O-N 3.18Å; I197-C199 PolarHBondContact O-N 2.82Å; I197-K200 WeakPolarHBondContact O-CB 3.49Å; I197-K200 PolarHBondContact O-N 3.25Å; I197-H201 PolarHBondContact O-CD2 3.14Å; I197-H201 PolarHBondContact O-N 3.14Å
198	A	87.8	Confident	83.4	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-44	175.7	0	0	0	0	0	111.9	I115 L194 K195 H201 Q202 I203 L205	I115-A198 HydrophobicContact CD1-CB 4.01Å; L194-A198 WeakPolarHBondContact O-CB 3.33Å; L194-A198 PolarHBondContact O-N 2.93Å; K195-A198 PolarHBondContact O-N 2.87Å; A198-H201 CarbonylContact O-C 3.46Å; A198-H201 PolarHBondContact O-N 3.42Å; A198-Q202 WeakPolarHBondContact O-CA 3.44Å; A198-Q202 PolarHBondContact O-N 2.74Å; A198-I203 HydrophobicContact CB-CB 4.36Å; A198-I203 PolarHBondContact O-N 3.43Å; A198-L205 HydrophobicContact CB-CD1 3.86Å; A198-L205 HydrophobicContact CB-CD2 3.88Å; A198-L205 HydrophobicContact CB-CG 3.76Å
199	C	88.9	Confident	81.2	Confident	99 Å²	99	73.2 Å²	73.2	67%	0.669	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-43.9	174.5	-73.7	0	0	0	0	111.8	K195 I196 I197 H201 Q202	K195-C199 WeakPolarHBondContact O-CB 3.41Å; K195-C199 PolarHBondContact O-N 3.38Å; K195-C199 PolarHBondContact O-SG 3.29Å; I196-C199 PolarHBondContact O-N 3.46Å; I197-C199 PolarHBondContact O-N 2.82Å; C199-H201 VanDerWaalsContact C-N 3.29Å; C199-H201 PolarHBondContact O-N 3.45Å; C199-Q202 PolarHBondContact O-N 3.15Å
200	K	88.3	Confident	78.8	Confident	129 Å²	129	81 Å²	81	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-57.8	-41.5	177.9	-177.8	-178.3	172.9	-173.2	0	112.1	D110 I196 I197	D110-K200 WeakPolarHBondContact OD1-CD 3.41Å; D110-K200 IonicContact OD1-NZ 3.67Å; D110-K200 PolarHBondContact OD1-NZ 3.41Å; D110-K200 VanDerWaalsContact OD1-NZ 3.1Å; D110-K200 IonicContact OD2-NZ 3.55Å; D110-K200 PolarHBondContact OD2-NZ 3.23Å; I196-K200 WeakPolarHBondContact O-CB 3.39Å; I196-K200 PolarHBondContact O-N 2.92Å; I197-K200 WeakPolarHBondContact O-CB 3.49Å; I197-K200 PolarHBondContact O-N 3.25Å
201	H	88.3	Confident	75.9	Confident	63 Å²	63	88.5 Å²	88.5	29%	0.292	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.7	-179.1	-66	-75.4	0	0	0	113.8	D110 I197 A198 C199 I203	D110-H201 IonicContact OD1-CD2 3.98Å; D110-H201 IonicContact OD1-CE1 3.54Å; D110-H201 IonicContact OD1-NE2 2.95Å; D110-H201 PolarHBondContact OD1-NE2 3.4Å; I197-H201 PolarHBondContact O-CD2 3.14Å; I197-H201 PolarHBondContact O-N 3.14Å; A198-H201 CarbonylContact O-C 3.46Å; A198-H201 PolarHBondContact O-N 3.42Å; C199-H201 VanDerWaalsContact C-N 3.29Å; C199-H201 PolarHBondContact O-N 3.45Å; H201-I203 HydrophobicContact CB-CD1 3.84Å; H201-I203 HydrophobicContact CB-CG1 3.95Å; H201-I203 PolarHBondContact O-N 3.48Å
202	Q	86.3	Confident	73.3	Confident	183 Å²	183	93 Å²	93	86%	0.855	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.1	-178.6	-56.9	177.4	21.6	0	0	114.2	A198 C199	A198-Q202 WeakPolarHBondContact O-CA 3.44Å; A198-Q202 PolarHBondContact O-N 2.74Å; C199-Q202 PolarHBondContact O-N 3.15Å
203	I	83.2	Confident	70.4	Confident	51 Å²	51	93.5 Å²	93.5	26%	0.262	48%	0.483	S	S	.	.			trans	-90.2	125.1	179.6	-59	171.6	0	0	0	109.3	P112 I115 A198 H201 L205	P112-I203 HydrophobicContact CB-CD1 3.91Å; I115-I203 HydrophobicContact CD1-CB 4.43Å; I115-I203 HydrophobicContact CD1-CD1 3.81Å; I115-I203 HydrophobicContact CD1-CG2 4.27Å; I115-I203 HydrophobicContact CG2-CD1 4.5Å; A198-I203 HydrophobicContact CB-CB 4.36Å; A198-I203 PolarHBondContact O-N 3.43Å; H201-I203 HydrophobicContact CB-CD1 3.84Å; H201-I203 HydrophobicContact CB-CG1 3.95Å; H201-I203 PolarHBondContact O-N 3.48Å; I203-L205 PolarHBondContact O-N 3.22Å
204	D	78.2	Confident	67.5	Low	101 Å²	101	98.8 Å²	98.8	54%	0.54	51%	0.514	S	S	.	.			trans	-76.3	120.6	171.6	-165.5	-8.6	0	0	0	110.5	N206	D204-N206 PolarHBondContact OD1-N 3.3Å
205	L	74.2	Confident	64.5	Low	26 Å²	26	109.1 Å²	109.1	14%	0.136	55%	0.554	C	S	.	*	S	Bend	trans	-79.9	-18.2	177.8	-67.2	174.6	0	0	0	112.7	I115 L194 K195 A198 I203 P207	I115-L205 HydrophobicContact CD1-CD2 4.24Å; L194-L205 HydrophobicContact CD1-CD2 3.96Å; L194-L205 HydrophobicContact CD2-CD1 4.48Å; L194-L205 HydrophobicContact CD2-CD2 4.25Å; L194-L205 HydrophobicContact CG-CD1 4.1Å; L194-L205 HydrophobicContact CG-CD2 3.97Å; K195-L205 HydrophobicContact CG-CD1 4.23Å; A198-L205 HydrophobicContact CB-CD1 3.86Å; A198-L205 HydrophobicContact CB-CD2 3.88Å; A198-L205 HydrophobicContact CB-CG 3.76Å; I203-L205 PolarHBondContact O-N 3.22Å; L205-P207 WeakPolarHBondContact O-CD 3.42Å
206	N	69.1	Low	61.7	Low	67 Å²	67	110.8 Å²	110.8	36%	0.358	57%	0.566	S	S	.	*			trans	-111.2	83.9	-176.7	-72.4	-43.5	0	0	0	111.1	D204 E208	D204-N206 PolarHBondContact OD1-N 3.3Å; N206-E208 PolarHBondContact O-N 3.23Å
207	P	57.3	Low	58.9	Low	108 Å²	108	112.6 Å²	112.6	70%	0.701	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-9.9	176.7	27.6	-34.5	0	0	0	113.4	L205 K209	L205-P207 WeakPolarHBondContact O-CD 3.42Å; P207-K209 PolarHBondContact O-N 2.64Å; P207-K209 VanDerWaalsContact O-N 3.09Å
208	E	50.7	Low	56	Low	179 Å²	179	117.1 Å²	117.1	84%	0.836	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-3.7	-179.5	-67.4	-152.6	166.4	0	0	115	N206 K210	N206-E208 PolarHBondContact O-N 3.23Å; E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.08Å
209	K	45.4	Very low	53.2	Low	167 Å²	167	123.8 Å²	123.8	73%	0.726	64%	0.637	S	S	*	*	S	Bend	trans	-73.1	91.3	165.2	-74.9	-176.3	-179.8	175.6	0	109.2	P207 L211	P207-K209 PolarHBondContact O-N 2.64Å; P207-K209 VanDerWaalsContact O-N 3.09Å; K209-L211 PolarHBondContact O-N 3.18Å
210	K	39.2	Very low	50.1	Low	196 Å²	196	126 Å²	126	85%	0.852	64%	0.642	S	S	*	*			trans	-21.3	121.6	159.6	-71.7	177.3	176.8	177.5	0	110.5	E208	E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.08Å
211	L	31.4	Very low	47.3	Very low	158 Å²	158	131.2 Å²	131.2	83%	0.827	66%	0.658	S	S	*	*			trans	-16.6	115.9	171.4	-161.9	75.6	0	0	0	111.4	K209 S213	K209-L211 PolarHBondContact O-N 3.18Å; L211-S213 PolarHBondContact O-N 2.77Å
212	P	35.7	Very low	44.4	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	68%	0.678	S	S	*	*			trans	-58.3	117	175.1	24.7	-29.6	0	0	0	105.5	V214	P212-V214 PolarHBondContact O-N 3.12Å
213	S	29.3	Very low	41.5	Very low	100 Å²	100	128.2 Å²	128.2	70%	0.699	67%	0.67	S	S	*	*			trans	-46.9	116.7	168.8	35	0	0	0	0	105.9	L211 R215	L211-S213 PolarHBondContact O-N 2.77Å; S213-R215 PolarHBondContact O-N 3.18Å
214	V	28.7	Very low	38.7	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	69%	0.691	S	S	*	*			trans	-54	96.6	176.4	176.7	0	0	0	0	105.4	P212 I216	P212-V214 PolarHBondContact O-N 3.12Å; V214-I216 HydrophobicContact CG1-CG1 3.93Å; V214-I216 PolarHBondContact O-N 3.46Å
215	R	27.6	Very low	36.3	Very low	218 Å²	218	134.5 Å²	134.5	82%	0.823	71%	0.705	S	S	*	*			trans	-70.6	90	167.1	-80.8	-169.9	-176.6	-168.7	1.8	103.6	S213 I217	S213-R215 PolarHBondContact O-N 3.18Å; R215-I217 PolarHBondContact O-N 3.32Å
216	I	30.8	Very low	34.2	Very low	135 Å²	135	142 Å²	142	69%	0.692	74%	0.739	S	S	*	*			trans	-57.6	98.8	157.7	-60	177.3	0	0	0	103.7	V214 T218	V214-I216 HydrophobicContact CG1-CG1 3.93Å; V214-I216 PolarHBondContact O-N 3.46Å; I216-T218 PolarHBondContact O-N 3.33Å
217	I	27.8	Very low	32.2	Very low	139 Å²	139	143.9 Å²	143.9	71%	0.713	76%	0.757	S	S	*	*			trans	-70.3	88.5	171.2	-60.7	173.1	0	0	0	104.3	R215 I219	R215-I217 PolarHBondContact O-N 3.32Å; I217-I219 VanDerWaalsContact C-N 3.28Å; I217-I219 HydrophobicContact CG2-CG1 4.01Å; I217-I219 PolarHBondContact O-N 3.02Å
218	T	28	Very low	30.8	Very low	106 Å²	106	143.4 Å²	143.4	65%	0.65	76%	0.756	S	S	*	*			trans	-65.9	97.3	164.8	-47.9	0	0	0	0	105.5	I216 N220	I216-T218 PolarHBondContact O-N 3.33Å; T218-N220 PolarHBondContact O-N 2.95Å
219	I	28.2	Very low	29.8	Very low	142 Å²	142	143.1 Å²	143.1	73%	0.728	76%	0.755	S	S	*	*			trans	-66.2	92.8	170.8	-58.6	174.2	0	0	0	105.5	I217 R221	I217-I219 VanDerWaalsContact C-N 3.28Å; I217-I219 HydrophobicContact CG2-CG1 4.01Å; I217-I219 PolarHBondContact O-N 3.02Å; I219-R221 VanDerWaalsContact C-N 3.26Å; I219-R221 PolarHBondContact O-N 3.26Å
220	N	25.2	Very low	29	Very low	146 Å²	146	142 Å²	142	78%	0.781	76%	0.757	S	S	*	*			trans	-61.4	95.2	166.9	-101.2	-15.9	0	0	0	106.5	T218 A222	T218-N220 PolarHBondContact O-N 2.95Å; N220-A222 PolarHBondContact O-N 3.46Å
221	R	28.5	Very low	28.4	Very low	239 Å²	239	138.8 Å²	138.8	90%	0.902	76%	0.756	S	S	*	*			trans	-67.1	94.3	171.1	-139.8	176.2	-173.4	151.9	0.6	105.7	I219 S223	I219-R221 VanDerWaalsContact C-N 3.26Å; I219-R221 PolarHBondContact O-N 3.26Å; R221-S223 PolarHBondContact O-N 3.26Å
222	A	27.1	Very low	28.3	Very low	84 Å²	84	135.6 Å²	135.6	69%	0.694	75%	0.752	S	S	*	*			trans	-53.8	114.5	175.4	0	0	0	0	0	108	N220 C224	N220-A222 PolarHBondContact O-N 3.46Å; A222-C224 VanDerWaalsContact C-N 3.34Å; A222-C224 PolarHBondContact O-N 2.96Å
223	S	26.2	Very low	27.8	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	76%	0.756	S	S	*	*			trans	-65.4	90.7	173.9	172	0	0	0	0	108.4	R221 H225	R221-S223 PolarHBondContact O-N 3.26Å; S223-H225 PolarHBondContact O-N 3.12Å
224	C	25.3	Very low	27.7	Very low	106 Å²	106	141.4 Å²	141.4	72%	0.716	76%	0.76	S	S	*	*			trans	-73.9	108.5	166.6	-70.9	0	0	0	0	108.2	A222 H226	A222-C224 VanDerWaalsContact C-N 3.34Å; A222-C224 PolarHBondContact O-N 2.96Å; C224-H226 PolarHBondContact O-N 3Å
225	H	27.5	Very low	27.8	Very low	177 Å²	177	145.3 Å²	145.3	82%	0.819	77%	0.767	S	S	*	*			trans	-53.2	101.6	169.9	-73.2	-77.4	0	0	0	110.6	S223	S223-H225 PolarHBondContact O-N 3.12Å
226	H	30.3	Very low	27.7	Very low	184 Å²	184	140.5 Å²	140.5	85%	0.852	77%	0.767	S	S	*	*			trans	-95.5	106.5	157.6	-88.7	-55.6	0	0	0	108.9	C224	C224-H226 PolarHBondContact O-N 3Å
227	S	27.2	Very low	27.6	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	77%	0.77	S	S	*	*			trans	-47	132.6	166.6	178.7	0	0	0	0	110.9
228	S	27	Very low	27.6	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	78%	0.776	S	S	*	*			trans	-51.2	127.5	170.4	51.9	0	0	0	0	112.1
229	H	29.9	Very low	27.5	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.806	78%	0.778	S	S	*	*			trans	-159.6	129.9	139	-106.2	-65.1	0	0	0	112.5
230	N	27.9	Very low	27.3	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	78%	0.78	S	S	*	*			trans	76.4	101.9	161.2	-75.7	-4.2	0	0	0	120.4
231	P	26.1	Very low	27.4	Very low	129 Å²	129	150.2 Å²	150.2	84%	0.838	78%	0.783	S	S	*	*			trans	-89.7	109.5	161.6	33.9	-23	0	0	0	109.4
232	A	30.1	Very low	27.3	Very low	90 Å²	90	146.8 Å²	146.8	74%	0.744	78%	0.777	S	S	*	*			trans	-160.7	130.1	161.8	0	0	0	0	0	111.8
233	M	26.2	Very low	27.2	Very low	160 Å²	160	149.7 Å²	149.7	79%	0.788	78%	0.779	S	S	*	*			trans	78.1	96.1	155.4	-63.4	-128.6	69.1	0	0	119
234	H	26.8	Very low	27	Very low	169 Å²	169	151.4 Å²	151.4	78%	0.782	78%	0.779	S	S	*	*				29.5	103.9	127.6	-69.6	-80.6	0	0	0	117.6
235	K	30.5	Very low	26.9	Very low	207 Å²	207	151.2 Å²	151.2	90%	0.9	78%	0.775	S	S	*	*				-159.9	138.8	128.5	-104.7	160.3	-171.9	-177.2	0	109.7	E237	K235-E237 PolarHBondContact O-N 3.03Å
236	S	25.2	Very low	26.8	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	77%	0.77	S	S	*	*			trans	-58.4	116.5	-174.1	49.4	0	0	0	0	114.2
237	E	28	Very low	26.5	Very low	161 Å²	161	145.7 Å²	145.7	75%	0.752	76%	0.76	S	S	*	*			trans	-124.3	84.8	162.2	-82.8	-178.4	171.5	0	0	109.8	K235 H239	K235-E237 PolarHBondContact O-N 3.03Å; E237-H239 PolarHBondContact O-N 2.71Å; E237-H239 IonicContact OE2-CD2 3.68Å
238	K	29.2	Very low	26.6	Very low	194 Å²	194	145 Å²	145	84%	0.843	75%	0.754	S	S	*	*			trans	-73.1	81.1	156.7	-90.1	-177.7	175.1	177.2	0	107.5	F240	K238-F240 PolarHBondContact O-N 3.43Å
239	H	25.5	Very low	26.8	Very low	147 Å²	147	145.3 Å²	145.3	68%	0.681	76%	0.755	S	S	*	*			trans	-73.8	76.1	167.2	-102.7	-64.6	0	0	0	109.6	E237 K241	E237-H239 PolarHBondContact O-N 2.71Å; E237-H239 IonicContact OE2-CD2 3.68Å; H239-K241 PolarHBondContact O-N 3.2Å; H239-K241 VanDerWaalsContact O-N 3.15Å
240	F	24.6	Very low	27.2	Very low	180 Å²	180	139.4 Å²	139.4	79%	0.789	73%	0.729	S	S	*	*			trans	-70.5	102.8	156.5	-96	-90.9	0	0	0	106.7	K238 E242	K238-F240 PolarHBondContact O-N 3.43Å; F240-E242 PolarHBondContact O-N 3.23Å
241	K	27.3	Very low	27.6	Very low	190 Å²	190	137.8 Å²	137.8	83%	0.826	72%	0.72	S	S	*	*			trans	-67.2	76	164.9	-79.9	179.2	172.9	177.7	0	108.1	H239 I243	H239-K241 PolarHBondContact O-N 3.2Å; H239-K241 VanDerWaalsContact O-N 3.15Å; K241-I243 PolarHBondContact O-N 3.34Å; K241-I243 VanDerWaalsContact O-N 3.14Å
242	E	25.7	Very low	28.4	Very low	167 Å²	167	136.9 Å²	136.9	78%	0.78	72%	0.715	S	S	*	*			trans	-65.4	110.3	160.9	-162.7	166.7	-156.8	0	0	105.7	F240 I244	F240-E242 PolarHBondContact O-N 3.23Å; E242-I244 PolarHBondContact O-N 2.97Å
243	I	24.3	Very low	28.8	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	71%	0.705	S	S	*	*			trans	-63.8	93.9	168.3	-63.2	169.6	0	0	0	103.8	K241 T245	K241-I243 PolarHBondContact O-N 3.34Å; K241-I243 VanDerWaalsContact O-N 3.14Å; I243-T245 PolarHBondContact O-N 2.89Å
244	I	22.7	Very low	29.9	Very low	134 Å²	134	132 Å²	132	69%	0.687	68%	0.678	S	S	*	*			trans	-61.1	91.6	161.5	-60	173.2	0	0	0	103.6	E242 I246	E242-I244 PolarHBondContact O-N 2.97Å; I244-I246 HydrophobicContact CG2-CG1 4.06Å; I244-I246 PolarHBondContact O-N 3.34Å
245	T	22.8	Very low	31.5	Very low	103 Å²	103	124.8 Å²	124.8	63%	0.632	65%	0.645	S	S	*	*			trans	-56.6	98.2	155.9	-56.4	0	0	0	0	103.1	I243 T247	I243-T245 PolarHBondContact O-N 2.89Å; T245-T247 HydrophobicContact CG2-CG2 4.46Å; T245-T247 PolarHBondContact O-N 3.37Å
246	I	25	Very low	33.2	Very low	139 Å²	139	115 Å²	115	71%	0.713	60%	0.603	S	S	*	*			trans	-65.5	78.4	163.6	-55.1	170.2	0	0	0	103.3	I244 P248	I244-I246 HydrophobicContact CG2-CG1 4.06Å; I244-I246 PolarHBondContact O-N 3.34Å; I246-P248 VanDerWaalsContact C-N 3.31Å; I246-P248 WeakPolarHBondContact O-CD 3.14Å; I246-P248 VanDerWaalsContact O-N 3.08Å
247	T	25.5	Very low	35	Very low	106 Å²	106	110.8 Å²	110.8	65%	0.65	57%	0.569	S	S	*	*			trans	-51.9	112.7	145.5	30.9	0	0	0	0	102.4	T245 S249	T245-T247 HydrophobicContact CG2-CG2 4.46Å; T245-T247 PolarHBondContact O-N 3.37Å; T247-S249 PolarHBondContact O-N 2.96Å
248	P	27.9	Very low	36.9	Very low	92 Å²	92	108.7 Å²	108.7	60%	0.597	56%	0.563	S	S	*	*			trans	-62.6	103.1	173.1	29.9	-31.1	0	0	0	102.4	I246 I250	I246-P248 VanDerWaalsContact C-N 3.31Å; I246-P248 WeakPolarHBondContact O-CD 3.14Å; I246-P248 VanDerWaalsContact O-N 3.08Å; P248-I250 HydrophobicContact CB-CD1 4.34Å; P248-I250 HydrophobicContact CB-CG1 4.01Å; P248-I250 HydrophobicContact CG-CD1 4.21Å; P248-I250 HydrophobicContact CG-CG1 4.38Å; P248-I250 PolarHBondContact O-N 3.46Å
249	S	32.7	Very low	38.9	Very low	103 Å²	103	102 Å²	102	72%	0.72	54%	0.537	S	S	*	.			trans	-67.7	69.4	164.1	62.3	0	0	0	0	104.1	T247 N251	T247-S249 PolarHBondContact O-N 2.96Å; S249-N251 PolarHBondContact O-N 3.49Å
250	I	37.1	Very low	41.5	Very low	51 Å²	51	99.7 Å²	99.7	26%	0.262	53%	0.529	S	S	.	.			trans	-54.6	107.1	163.9	-68.3	164.1	0	0	0	100.8	P248 P252 I254 T726	P248-I250 HydrophobicContact CB-CD1 4.34Å; P248-I250 HydrophobicContact CB-CG1 4.01Å; P248-I250 HydrophobicContact CG-CD1 4.21Å; P248-I250 HydrophobicContact CG-CG1 4.38Å; P248-I250 PolarHBondContact O-N 3.46Å; I250-P252 WeakPolarHBondContact O-CD 3.23Å; I250-I254 HydrophobicContact CG2-CD1 4.34Å; I250-T726 HydrophobicContact CD1-CG2 3.24Å
251	N	37.2	Very low	44.3	Very low	108 Å²	108	93.2 Å²	93.2	58%	0.578	50%	0.502	S	S	*	.			trans	-43.1	113.5	177.2	-84.6	-36.5	0	0	0	105.6	S249 L253 I254	S249-N251 PolarHBondContact O-N 3.49Å; N251-L253 HydrophobicContact CB-CB 4.24Å; N251-L253 PolarHBondContact O-N 3.37Å; N251-I254 PolarHBondContact O-N 3.16Å
252	P	42.5	Very low	47.1	Very low	110 Å²	110	86.8 Å²	86.8	71%	0.714	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-8.4	171.7	21.8	-29.1	0	0	0	110.8	I250 I254	I250-P252 WeakPolarHBondContact O-CD 3.23Å; P252-I254 VanDerWaalsContact C-N 3.28Å; P252-I254 PolarHBondContact O-N 2.92Å
253	L	38	Very low	50.1	Low	103 Å²	103	81.4 Å²	81.4	54%	0.539	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	19.8	168.5	-50.8	174.1	0	0	0	114.9	N251 N255 D320	N251-L253 HydrophobicContact CB-CB 4.24Å; N251-L253 PolarHBondContact O-N 3.37Å; L253-N255 PolarHBondContact O-N 2.95Å; L253-D320 WeakPolarHBondContact CD2-OD2 3.47Å
254	I	48.6	Very low	53.2	Low	44 Å²	44	74.6 Å²	74.6	23%	0.226	42%	0.421	C	S	.	.			trans	-65.8	86.3	147.9	-66.4	178.2	0	0	0	104.9	I250 N251 P252 L256 L259 D723 W727	I250-I254 HydrophobicContact CG2-CD1 4.34Å; N251-I254 PolarHBondContact O-N 3.16Å; P252-I254 VanDerWaalsContact C-N 3.28Å; P252-I254 PolarHBondContact O-N 2.92Å; I254-L256 PolarHBondContact O-N 3.34Å; I254-L259 HydrophobicContact CG2-CD1 3.78Å; I254-L259 HydrophobicContact CG2-CD2 3.73Å; I254-L259 HydrophobicContact CG2-CG 3.85Å; I254-D723 HydrophobicContact CD1-CB 4.27Å; I254-W727 HydrophobicContact CB-CG 4.46Å; I254-W727 HydrophobicContact CG2-CG 4.25Å; I254-W727 PolarHBondContact O-NE1 2.95Å
255	N	62	Low	56.5	Low	18 Å²	18	68.3 Å²	68.3	10%	0.096	39%	0.389	C	S	.	.			trans	-70.3	126.8	175.2	-165.3	-8.5	0	0	0	106.6	L253 W257 N258 D320	L253-N255 PolarHBondContact O-N 2.95Å; N255-W257 VanDerWaalsContact CG-CD1 3.43Å; N255-W257 PolarHBondContact O-N 3.12Å; N255-W257 PolarHBondContact OD1-NE1 3.39Å; N255-N258 PolarHBondContact O-N 2.97Å; N255-D320 VanDerWaalsContact ND2-CB 3.32Å; N255-D320 WeakPolarHBondContact ND2-CB 3.46Å; N255-D320 PolarHBondContact ND2-O 2.96Å; N255-D320 PolarHBondContact ND2-OD1 3.09Å
256	L	65.6	Low	59.9	Low	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-45.5	-36.3	177.7	174.9	55.4	0	0	0	111.2	I254 N258 L259 V264 W381 W727	I254-L256 PolarHBondContact O-N 3.34Å; L256-N258 VanDerWaalsContact C-N 3.3Å; L256-N258 PolarHBondContact O-N 3.02Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 2.89Å; L256-V264 HydrophobicContact CD1-CG1 4.2Å; L256-V264 HydrophobicContact CD1-CG2 4.07Å; L256-W381 HydrophobicContact CD2-CH2 3.93Å; L256-W381 HydrophobicContact CD2-CZ2 3.42Å; L256-W381 VanDerWaalsContact CD2-CZ2 3.42Å; L256-W727 HydrophobicContact CB-CH2 4.33Å; L256-W727 HydrophobicContact CB-CZ2 3.76Å; L256-W727 HydrophobicContact CD1-CH2 3.61Å; L256-W727 HydrophobicContact CD1-CZ2 3.94Å; L256-W727 HydrophobicContact CD1-CZ3 4.41Å; L256-W727 HydrophobicContact CD2-CH2 4.39Å; L256-W727 HydrophobicContact CD2-CZ2 4.41Å; L256-W727 HydrophobicContact CG-CH2 4.31Å; L256-W727 HydrophobicContact CG-CZ2 4.24Å
257	W	63.2	Low	63.2	Low	30 Å²	30	60.2 Å²	60.2	11%	0.114	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-74.1	-14.5	-176.5	-41	124.3	0	0	0	115.4	N255 D320 P322 C377 T380 W381	N255-W257 VanDerWaalsContact CG-CD1 3.43Å; N255-W257 PolarHBondContact O-N 3.12Å; N255-W257 PolarHBondContact OD1-NE1 3.39Å; W257-D320 PolarHBondContact NE1-O 2.9Å; W257-D320 VanDerWaalsContact NE1-O 3.08Å; W257-P322 HydrophobicContact CB-CB 3.72Å; W257-P322 HydrophobicContact CD2-CB 3.74Å; W257-P322 HydrophobicContact CD2-CG 3.91Å; W257-P322 HydrophobicContact CE3-CB 4.04Å; W257-P322 HydrophobicContact CE3-CG 4.25Å; W257-P322 HydrophobicContact CG-CB 3.6Å; W257-P322 HydrophobicContact CG-CG 4.12Å; W257-C377 HydrophobicContact CH2-CB 3.67Å; W257-C377 HydrophobicContact CZ2-CB 3.92Å; W257-C377 WeakPolarHBondContact CZ2-SG 3.16Å; W257-T380 HydrophobicContact CE3-CG2 3.93Å; W257-T380 HydrophobicContact CZ3-CG2 4.07Å; W257-T380 WeakPolarHBondContact CZ3-OG1 3.41Å; W257-W381 AromaticContact CH2-NE1 3.88Å
258	N	67.3	Low	66.5	Low	116 Å²	116	55.3 Å²	55.3	62%	0.62	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-92.6	-5.9	173.8	-68.9	-14.8	0	0	0	112.1	N255 L256	N255-N258 PolarHBondContact O-N 2.97Å; L256-N258 VanDerWaalsContact C-N 3.3Å; L256-N258 PolarHBondContact O-N 3.02Å
259	L	70.7	Confident	69.8	Low	55 Å²	55	50.9 Å²	50.9	29%	0.288	28%	0.282	S	S	.	.	S	Bend	trans	-85.4	149.1	177.8	-64.2	175.5	0	0	0	111	I254 L256 L261 V264	I254-L259 HydrophobicContact CG2-CD1 3.78Å; I254-L259 HydrophobicContact CG2-CD2 3.73Å; I254-L259 HydrophobicContact CG2-CG 3.85Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 2.89Å; L259-L261 PolarHBondContact O-N 3.11Å; L259-V264 HydrophobicContact CB-CG2 3.77Å; L259-V264 HydrophobicContact CD1-CG2 3.94Å
260	N	80.2	Confident	72.7	Confident	98 Å²	98	46.8 Å²	46.8	52%	0.524	25%	0.252	S	S	.	.			trans	-64.4	120.3	167.8	-176.9	-16.6	0	0	0	109.3	D262 T263 V264	N260-D262 PolarHBondContact O-N 3.29Å; N260-D262 WeakPolarHBondContact OD1-CB 3.12Å; N260-D262 PolarHBondContact OD1-N 2.82Å; N260-T263 WeakPolarHBondContact O-CB 3.21Å; N260-T263 PolarHBondContact O-N 2.89Å; N260-V264 PolarHBondContact O-N 3.34Å
261	L	83.9	Confident	75.5	Confident	44 Å²	44	45.7 Å²	45.7	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-35.4	-177.7	-58.7	175.7	0	0	0	112.4	L259 V264 A265 T380 D383 I384	L259-L261 PolarHBondContact O-N 3.11Å; L261-V264 PolarHBondContact O-N 3.08Å; L261-A265 PolarHBondContact O-N 2.82Å; L261-A265 VanDerWaalsContact O-N 3.14Å; L261-T380 HydrophobicContact CD2-CG2 4.39Å; L261-D383 HydrophobicContact CD1-CB 4.07Å; L261-I384 HydrophobicContact CB-CG1 4.22Å; L261-I384 HydrophobicContact CD2-CD1 4.02Å; L261-I384 HydrophobicContact CD2-CG1 3.98Å
262	D	87	Confident	78.3	Confident	54 Å²	54	40.9 Å²	40.9	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-44.7	176.2	-70.3	-16.5	0	0	0	110.4	N260 V264 A265 E266 R387	N260-D262 PolarHBondContact O-N 3.29Å; N260-D262 WeakPolarHBondContact OD1-CB 3.12Å; N260-D262 PolarHBondContact OD1-N 2.82Å; D262-V264 PolarHBondContact O-N 2.87Å; D262-A265 PolarHBondContact O-N 2.85Å; D262-E266 WeakPolarHBondContact O-CG 3.45Å; D262-E266 PolarHBondContact O-N 2.84Å; D262-R387 WeakPolarHBondContact OD1-CD 3.45Å; D262-R387 WeakPolarHBondContact OD1-CG 3.25Å; D262-R387 IonicContact OD1-CZ 3.15Å; D262-R387 IonicContact OD1-NE 3.87Å; D262-R387 PolarHBondContact OD1-NE 3.24Å; D262-R387 IonicContact OD1-NH1 3.87Å; D262-R387 PolarHBondContact OD1-NH1 3.31Å; D262-R387 IonicContact OD1-NH2 2.8Å; D262-R387 IonicContact OD2-CZ 2.88Å; D262-R387 IonicContact OD2-NH1 2.94Å; D262-R387 PolarHBondContact OD2-NH1 3.35Å; D262-R387 IonicContact OD2-NH2 3.75Å
263	T	87.3	Confident	80.9	Confident	54 Å²	54	36.9 Å²	36.9	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-41.6	177.3	-52.8	0	0	0	0	111.2	N260 A265 E266 Q267	N260-T263 WeakPolarHBondContact O-CB 3.21Å; N260-T263 PolarHBondContact O-N 2.89Å; T263-A265 VanDerWaalsContact C-N 3.35Å; T263-A265 PolarHBondContact O-N 2.79Å; T263-E266 PolarHBondContact O-N 3.35Å; T263-Q267 HydrophobicContact CG2-CG 4.23Å; T263-Q267 VanDerWaalsContact O-CG 3.26Å; T263-Q267 WeakPolarHBondContact O-CG 3.47Å; T263-Q267 PolarHBondContact O-N 3.05Å
264	V	89.5	Confident	83.6	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-46	176	171.8	0	0	0	0	111.3	L256 L259 N260 L261 D262 E266 Q267 L268 I384 F724	L256-V264 HydrophobicContact CD1-CG1 4.2Å; L256-V264 HydrophobicContact CD1-CG2 4.07Å; L259-V264 HydrophobicContact CB-CG2 3.77Å; L259-V264 HydrophobicContact CD1-CG2 3.94Å; N260-V264 PolarHBondContact O-N 3.34Å; L261-V264 PolarHBondContact O-N 3.08Å; D262-V264 PolarHBondContact O-N 2.87Å; V264-E266 PolarHBondContact O-N 2.95Å; V264-Q267 PolarHBondContact O-N 3.37Å; V264-L268 HydrophobicContact CG1-CD1 4.21Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.05Å; V264-I384 HydrophobicContact CG1-CD1 3.98Å; V264-I384 HydrophobicContact CG1-CG1 4.43Å; V264-I384 HydrophobicContact CG1-CG2 4.4Å; V264-F724 HydrophobicContact CG1-CE2 4.11Å
265	A	93.6	Very high	85.9	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-39.8	178	0	0	0	0	0	112.6	L261 D262 T263 T269 I384 R387 L388	L261-A265 PolarHBondContact O-N 2.82Å; L261-A265 VanDerWaalsContact O-N 3.14Å; D262-A265 PolarHBondContact O-N 2.85Å; T263-A265 VanDerWaalsContact C-N 3.35Å; T263-A265 PolarHBondContact O-N 2.79Å; A265-T269 WeakPolarHBondContact O-CB 3.49Å; A265-T269 PolarHBondContact O-N 2.85Å; A265-T269 PolarHBondContact O-OG1 2.75Å; A265-I384 HydrophobicContact CB-CG2 4.33Å; A265-R387 HydrophobicContact CB-CB 3.63Å; A265-L388 HydrophobicContact CB-CD2 4.08Å; A265-L388 HydrophobicContact CB-CG 4Å; A265-L388 WeakPolarHBondContact O-CD2 3.47Å
266	E	93	Very high	87.6	Confident	65 Å²	65	39.6 Å²	39.6	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-63.5	-44.8	174.5	-73.1	175.2	-175	0	0	111.6	D262 T263 V264 T269 V270 L718	D262-E266 WeakPolarHBondContact O-CG 3.45Å; D262-E266 PolarHBondContact O-N 2.84Å; T263-E266 PolarHBondContact O-N 3.35Å; V264-E266 PolarHBondContact O-N 2.95Å; E266-T269 CarbonylContact O-C 3.57Å; E266-T269 WeakPolarHBondContact O-CA 3.45Å; E266-T269 WeakPolarHBondContact O-CB 3.49Å; E266-T269 PolarHBondContact O-N 2.98Å; E266-T269 VanDerWaalsContact O-N 3.09Å; E266-V270 WeakPolarHBondContact O-CG2 3.35Å; E266-V270 PolarHBondContact O-N 3.13Å; E266-L718 HydrophobicContact CB-CD1 4.36Å; E266-L718 HydrophobicContact CB-CD2 4.26Å; E266-L718 HydrophobicContact CG-CD2 3.95Å
267	Q	93.8	Very high	88.9	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-38.3	179.2	-65.5	-49	-51.7	0	0	112.9	T263 V264 T269 V270 A271 R719 E721 F724	T263-Q267 HydrophobicContact CG2-CG 4.23Å; T263-Q267 VanDerWaalsContact O-CG 3.26Å; T263-Q267 WeakPolarHBondContact O-CG 3.47Å; T263-Q267 PolarHBondContact O-N 3.05Å; V264-Q267 PolarHBondContact O-N 3.37Å; Q267-T269 VanDerWaalsContact C-N 3.28Å; Q267-T269 PolarHBondContact O-N 2.94Å; Q267-V270 PolarHBondContact O-N 3.06Å; Q267-A271 PolarHBondContact O-N 2.92Å; Q267-R719 PolarHBondContact NE2-O 2.98Å; Q267-E721 HydrophobicContact CG-CB 4.24Å; Q267-E721 HydrophobicContact CG-CG 4.45Å; Q267-F724 HydrophobicContact CB-CB 4.22Å; Q267-F724 HydrophobicContact CB-CD1 3.36Å; Q267-F724 HydrophobicContact CB-CD2 3.89Å; Q267-F724 HydrophobicContact CB-CE1 3.57Å; Q267-F724 HydrophobicContact CB-CE2 4.07Å; Q267-F724 HydrophobicContact CB-CG 3.53Å; Q267-F724 HydrophobicContact CB-CZ 3.93Å; Q267-F724 HydrophobicContact CG-CB 3.95Å; Q267-F724 HydrophobicContact CG-CD1 4.05Å; Q267-F724 HydrophobicContact CG-CD2 4.25Å; Q267-F724 HydrophobicContact CG-CG 3.8Å
268	L	95.3	Very high	90.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-40.2	169.7	-72.9	173.7	0	0	0	111.4	V264 A271 D272 L306 I384 L388 F724 F728	V264-L268 HydrophobicContact CG1-CD1 4.21Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.05Å; L268-A271 PolarHBondContact O-N 2.74Å; L268-D272 PolarHBondContact O-N 3.41Å; L268-L306 HydrophobicContact CD1-CD1 4.01Å; L268-L306 HydrophobicContact CD1-CD2 4.22Å; L268-L306 HydrophobicContact CD2-CD1 3.98Å; L268-L306 HydrophobicContact CD2-CD2 4.25Å; L268-I384 HydrophobicContact CD1-CG2 4.27Å; L268-L388 HydrophobicContact CB-CD2 4.18Å; L268-L388 HydrophobicContact CD1-CD1 4.27Å; L268-F724 HydrophobicContact CD2-CE1 4.49Å; L268-F724 HydrophobicContact CD2-CZ 3.85Å; L268-F724 HydrophobicContact CG-CZ 3.96Å; L268-F728 HydrophobicContact CD2-CD2 4.38Å; L268-F728 HydrophobicContact CD2-CE2 3.93Å; L268-F728 HydrophobicContact CD2-CZ 4.36Å
269	T	96.5	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.6	-54.7	0	0	0	0	111.7	A265 E266 Q267 Q273 T391 N393 I509 Y716 L718	A265-T269 WeakPolarHBondContact O-CB 3.49Å; A265-T269 PolarHBondContact O-N 2.85Å; A265-T269 PolarHBondContact O-OG1 2.75Å; E266-T269 CarbonylContact O-C 3.57Å; E266-T269 WeakPolarHBondContact O-CA 3.45Å; E266-T269 WeakPolarHBondContact O-CB 3.49Å; E266-T269 PolarHBondContact O-N 2.98Å; E266-T269 VanDerWaalsContact O-N 3.09Å; Q267-T269 VanDerWaalsContact C-N 3.28Å; Q267-T269 PolarHBondContact O-N 2.94Å; T269-Q273 WeakPolarHBondContact O-CB 3.49Å; T269-Q273 PolarHBondContact O-N 2.8Å; T269-T391 PolarHBondContact OG1-OG1 3.05Å; T269-T391 VanDerWaalsContact OG1-OG1 3.09Å; T269-N393 WeakPolarHBondContact CA-ND2 3.37Å; T269-N393 HydrophobicContact CG2-CB 4.24Å; T269-I509 HydrophobicContact CG2-CD1 3.92Å; T269-I509 WeakPolarHBondContact O-CD1 3.03Å; T269-Y716 HydrophobicContact CG2-CD1 3.88Å; T269-Y716 HydrophobicContact CG2-CE1 3.57Å; T269-Y716 HydrophobicContact CG2-CE2 4.27Å; T269-Y716 HydrophobicContact CG2-CG 4.33Å; T269-L718 HydrophobicContact CG2-CD1 3.78Å
270	V	95.5	Very high	92.5	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-45.2	175	170.9	0	0	0	0	111.6	E266 Q267 Q273 R274 L718 P720	E266-V270 WeakPolarHBondContact O-CG2 3.35Å; E266-V270 PolarHBondContact O-N 3.13Å; Q267-V270 PolarHBondContact O-N 3.06Å; V270-Q273 PolarHBondContact O-N 2.99Å; V270-R274 PolarHBondContact O-N 3.01Å; V270-R274 VanDerWaalsContact O-N 3.11Å; V270-L718 HydrophobicContact CG2-CB 3.32Å; V270-L718 HydrophobicContact CG2-CD1 4.13Å; V270-L718 HydrophobicContact CG2-CG 4.38Å; V270-P720 HydrophobicContact CG1-CB 3.85Å; V270-P720 HydrophobicContact CG1-CG 3.68Å
271	A	94.5	Very high	93.1	Very high	29 Å²	29	37 Å²	37	24%	0.24	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-48.3	-179.9	0	0	0	0	0	111.6	Q267 L268 R274 L275	Q267-A271 PolarHBondContact O-N 2.92Å; L268-A271 PolarHBondContact O-N 2.74Å; A271-R274 PolarHBondContact O-N 3.3Å; A271-L275 PolarHBondContact O-N 3.21Å
272	D	97.5	Very high	93.4	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.032	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-35.1	178.5	-72.8	-14	0	0	0	112.2	L268 R274 L275 F276 Q302 N393 A396 I509	L268-D272 PolarHBondContact O-N 3.41Å; D272-R274 VanDerWaalsContact C-N 3.33Å; D272-R274 PolarHBondContact O-N 2.99Å; D272-L275 PolarHBondContact O-N 3.38Å; D272-F276 VanDerWaalsContact O-CB 3.26Å; D272-F276 WeakPolarHBondContact O-CB 3.37Å; D272-F276 PolarHBondContact O-N 3.4Å; D272-Q302 WeakPolarHBondContact OD1-CG 3.36Å; D272-N393 PolarHBondContact OD2-ND2 2.97Å; D272-N393 PolarHBondContact OD2-OD1 3.46Å; D272-A396 WeakPolarHBondContact OD2-CB 3.33Å; D272-I509 HydrophobicContact CB-CD1 3.73Å; D272-I509 HydrophobicContact CB-CG2 4.19Å
273	Q	96.4	Very high	93.6	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.121	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-47.7	176.8	179.6	-166.5	7.6	0	0	110.1	T269 V270 F276 L277 I509 A713 Y716	T269-Q273 WeakPolarHBondContact O-CB 3.49Å; T269-Q273 PolarHBondContact O-N 2.8Å; V270-Q273 PolarHBondContact O-N 2.99Å; Q273-F276 PolarHBondContact O-N 2.87Å; Q273-L277 HydrophobicContact CG-CD1 3.92Å; Q273-L277 HydrophobicContact CG-CG 4.37Å; Q273-L277 WeakPolarHBondContact O-CB 3.47Å; Q273-L277 VanDerWaalsContact O-CG 3.31Å; Q273-L277 WeakPolarHBondContact O-CG 3.47Å; Q273-L277 PolarHBondContact O-N 3.17Å; Q273-I509 HydrophobicContact CB-CD1 3.96Å; Q273-A713 PolarHBondContact NE2-O 2.81Å; Q273-Y716 HydrophobicContact CB-CD2 4.36Å; Q273-Y716 HydrophobicContact CG-CD2 3.96Å
274	R	95	Very high	94	Very high	178 Å²	178	31 Å²	31	67%	0.672	15%	0.151	S	C	*	.	H	α-helix	trans	-57.7	-52.5	179.2	179.4	178.9	175.4	174.8	-1.7	111	V270 A271 D272 F276 L277 D278	V270-R274 PolarHBondContact O-N 3.01Å; V270-R274 VanDerWaalsContact O-N 3.11Å; A271-R274 PolarHBondContact O-N 3.3Å; D272-R274 VanDerWaalsContact C-N 3.33Å; D272-R274 PolarHBondContact O-N 2.99Å; R274-F276 VanDerWaalsContact C-N 3.32Å; R274-F276 PolarHBondContact O-N 3.23Å; R274-L277 PolarHBondContact O-N 2.81Å; R274-D278 IonicContact NE-OD2 2.84Å; R274-D278 WeakPolarHBondContact O-CB 3.34Å; R274-D278 VanDerWaalsContact O-CG 3.29Å; R274-D278 PolarHBondContact O-N 3.27Å
275	L	96.8	Very high	94.2	Very high	42 Å²	42	30.8 Å²	30.8	22%	0.22	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-41.8	179.6	-66.2	174	0	0	0	112	A271 D272 D278 M279 A298 Q302	A271-L275 PolarHBondContact O-N 3.21Å; D272-L275 PolarHBondContact O-N 3.38Å; L275-D278 PolarHBondContact O-N 2.99Å; L275-M279 WeakPolarHBondContact O-CB 3.42Å; L275-M279 PolarHBondContact O-N 3.4Å; L275-A298 HydrophobicContact CD2-CB 4.08Å; L275-Q302 HydrophobicContact CD1-CB 3.41Å; L275-Q302 VanDerWaalsContact CD1-CB 3.41Å; L275-Q302 HydrophobicContact CD1-CG 3.6Å
276	F	97.1	Very high	94.1	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-35	-179.4	-175.4	-120.9	0	0	0	113.2	D272 Q273 R274 M279 I509 P510 I706 L709 Q710 A713	D272-F276 VanDerWaalsContact O-CB 3.26Å; D272-F276 WeakPolarHBondContact O-CB 3.37Å; D272-F276 PolarHBondContact O-N 3.4Å; Q273-F276 PolarHBondContact O-N 2.87Å; R274-F276 VanDerWaalsContact C-N 3.32Å; R274-F276 PolarHBondContact O-N 3.23Å; F276-M279 HydrophobicContact CD2-CE 3.79Å; F276-M279 HydrophobicContact CE2-CE 3.64Å; F276-I509 HydrophobicContact CB-CG2 4.44Å; F276-P510 HydrophobicContact CD2-CG 4.39Å; F276-P510 HydrophobicContact CE1-CG 4.08Å; F276-P510 HydrophobicContact CE2-CG 3.63Å; F276-P510 VanDerWaalsContact CZ-CD 3.47Å; F276-P510 HydrophobicContact CZ-CG 3.45Å; F276-P510 VanDerWaalsContact CZ-CG 3.45Å; F276-I706 HydrophobicContact CE2-CG2 3.94Å; F276-I706 HydrophobicContact CZ-CG2 4.1Å; F276-L709 HydrophobicContact CE1-CB 4.11Å; F276-L709 HydrophobicContact CZ-CB 3.94Å; F276-Q710 HydrophobicContact CD1-CG 4.16Å; F276-Q710 HydrophobicContact CE1-CB 4.27Å; F276-Q710 HydrophobicContact CE1-CG 3.72Å; F276-Q710 HydrophobicContact CE2-CG 4.2Å; F276-Q710 HydrophobicContact CZ-CG 3.72Å; F276-Q710 PolarHBondContact O-NE2 3.23Å; F276-A713 HydrophobicContact CD1-CB 3.81Å; F276-A713 HydrophobicContact CE1-CB 4.14Å
277	L	93.2	Very high	94.2	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.183	16%	0.158	C	C	.	.	H	α-helix	trans	-74.3	-33.1	175.5	-70.2	179.4	0	0	0	113	K107 Q273 R274 M279 Q710 A713 Q714	K107-L277 PolarHBondContact NZ-O 3.48Å; Q273-L277 HydrophobicContact CG-CD1 3.92Å; Q273-L277 HydrophobicContact CG-CG 4.37Å; Q273-L277 WeakPolarHBondContact O-CB 3.47Å; Q273-L277 VanDerWaalsContact O-CG 3.31Å; Q273-L277 WeakPolarHBondContact O-CG 3.47Å; Q273-L277 PolarHBondContact O-N 3.17Å; R274-L277 PolarHBondContact O-N 2.81Å; L277-M279 VanDerWaalsContact C-N 3.33Å; L277-Q710 HydrophobicContact CD2-CB 4.29Å; L277-Q710 WeakPolarHBondContact CD2-O 3.4Å; L277-A713 HydrophobicContact CD2-CB 4.05Å; L277-A713 HydrophobicContact CG-CB 4.49Å; L277-Q714 HydrophobicContact CD1-CG 4.25Å; L277-Q714 HydrophobicContact CD2-CG 3.74Å
278	D	92.6	Very high	94.2	Very high	108 Å²	108	32.8 Å²	32.8	58%	0.578	16%	0.158	S	C	*	.	H	α-helix	trans	-79.8	-15.4	176.6	-69.7	-19.5	0	0	0	112.4	R274 L275 E280	R274-D278 IonicContact NE-OD2 2.84Å; R274-D278 WeakPolarHBondContact O-CB 3.34Å; R274-D278 VanDerWaalsContact O-CG 3.29Å; R274-D278 PolarHBondContact O-N 3.27Å; L275-D278 PolarHBondContact O-N 2.99Å; D278-E280 PolarHBondContact O-N 3.44Å
279	M	93.7	Very high	94.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	16%	0.163	C	C	.	.			trans	-63.2	128	178.5	-173	-176.1	66.2	0	0	112.4	L275 F276 L277 V296 L512 I706 Q710	L275-M279 WeakPolarHBondContact O-CB 3.42Å; L275-M279 PolarHBondContact O-N 3.4Å; F276-M279 HydrophobicContact CD2-CE 3.79Å; F276-M279 HydrophobicContact CE2-CE 3.64Å; L277-M279 VanDerWaalsContact C-N 3.33Å; M279-V296 HydrophobicContact CG-CG2 4.17Å; M279-V296 HydrophobicContact SD-CG2 4.18Å; M279-L512 HydrophobicContact CE-CD1 3.79Å; M279-L512 HydrophobicContact SD-CD1 3.8Å; M279-L512 HydrophobicContact SD-CD2 3.44Å; M279-L512 WeakPolarHBondContact SD-CD2 3.23Å; M279-L512 HydrophobicContact SD-CG 4.27Å; M279-I706 HydrophobicContact CE-CG2 3.66Å; M279-Q710 PolarHBondContact O-NE2 3.18Å
280	E	90.8	Very high	93.8	Very high	79 Å²	79	37.8 Å²	37.8	37%	0.369	20%	0.2	S	C	.	.			trans	-80	128.7	175.7	-64.8	-165.7	-173.5	0	0	110.8	D278 N282 D283 S295	D278-E280 PolarHBondContact O-N 3.44Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 2.98Å; E280-D283 HydrophobicContact CB-CB 4.01Å; E280-D283 WeakPolarHBondContact O-CB 3.24Å; E280-D283 PolarHBondContact O-N 3.45Å; E280-D283 VanDerWaalsContact O-N 3.15Å; E280-S295 PolarHBondContact N-OG 3.16Å; E280-S295 VanDerWaalsContact N-OG 3.13Å
281	L	91.6	Very high	93.6	Very high	19 Å²	19	43 Å²	43	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-37.2	-178.5	-65.6	171.1	0	0	0	112.1	Y53 P104 D283 C284 L703 I706 F707	Y53-L281 HydrophobicContact CE1-CD1 3.79Å; P104-L281 HydrophobicContact CB-CD1 4.14Å; P104-L281 HydrophobicContact CG-CD1 4.2Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.42Å; L281-C284 VanDerWaalsContact O-CB 3.31Å; L281-C284 WeakPolarHBondContact O-CB 3.49Å; L281-C284 PolarHBondContact O-N 3.14Å; L281-L703 VanDerWaalsContact O-CD2 3.26Å; L281-L703 WeakPolarHBondContact O-CD2 3.47Å; L281-I706 HydrophobicContact CD2-CB 3.87Å; L281-I706 HydrophobicContact CD2-CG2 3.54Å; L281-F707 HydrophobicContact CD1-CB 3.81Å; L281-F707 HydrophobicContact CD1-CD2 4.21Å; L281-F707 HydrophobicContact CD1-CG 4.38Å
282	N	90.2	Very high	93.5	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.043	25%	0.248	C	C	.	.	H	α-helix	trans	-69.8	-29.6	177.1	-178.6	78.1	0	0	0	112.6	R56 E280 C284 L285 I286	R56-N282 WeakPolarHBondContact CB-ND2 3.08Å; R56-N282 VanDerWaalsContact CD-ND2 3.28Å; R56-N282 WeakPolarHBondContact CD-ND2 3.41Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 2.98Å; N282-C284 PolarHBondContact O-N 3.23Å; N282-L285 WeakPolarHBondContact O-CB 3.18Å; N282-L285 PolarHBondContact O-N 3.02Å; N282-I286 WeakPolarHBondContact ND2-CD1 3.24Å; N282-I286 PolarHBondContact O-N 3.29Å; N282-I286 VanDerWaalsContact O-N 3.15Å
283	D	92.7	Very high	93.3	Very high	18 Å²	18	47.3 Å²	47.3	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-28.6	175.3	-88.5	7.5	0	0	0	111.7	E280 L281 L285 I286 Y287 A293 S295 V296	E280-D283 HydrophobicContact CB-CB 4.01Å; E280-D283 WeakPolarHBondContact O-CB 3.24Å; E280-D283 PolarHBondContact O-N 3.45Å; E280-D283 VanDerWaalsContact O-N 3.15Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact C-N 3.28Å; D283-L285 PolarHBondContact O-N 3.07Å; D283-I286 PolarHBondContact O-N 3.01Å; D283-Y287 WeakPolarHBondContact O-CB 3.45Å; D283-Y287 PolarHBondContact O-N 3.01Å; D283-A293 HydrophobicContact CB-CB 4.02Å; D283-A293 WeakPolarHBondContact O-CB 3.2Å; D283-S295 VanDerWaalsContact CB-OG 3.25Å; D283-S295 WeakPolarHBondContact CB-OG 3.35Å; D283-S295 VanDerWaalsContact CG-OG 3.31Å; D283-S295 WeakPolarHBondContact OD2-CB 3.47Å; D283-S295 PolarHBondContact OD2-N 2.81Å; D283-S295 PolarHBondContact OD2-OG 3.39Å; D283-V296 HydrophobicContact CB-CG2 3.92Å
284	C	94.8	Very high	93.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-37.5	172.2	-62.5	0	0	0	0	112	L281 N282 A288 L516 L519 L703	L281-C284 VanDerWaalsContact O-CB 3.31Å; L281-C284 WeakPolarHBondContact O-CB 3.49Å; L281-C284 PolarHBondContact O-N 3.14Å; N282-C284 PolarHBondContact O-N 3.23Å; C284-A288 WeakPolarHBondContact O-CB 3.42Å; C284-A288 PolarHBondContact O-N 3.35Å; C284-L516 HydrophobicContact CB-CD2 4.03Å; C284-L519 HydrophobicContact CB-CD1 3.79Å; C284-L703 HydrophobicContact CB-CD2 4Å
285	L	93.9	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.6	-38.1	175.9	-62.2	177.1	0	0	0	112.1	T54 L57 N282 D283 R289 L519 E699 L703	T54-L285 HydrophobicContact CG2-CD1 3.87Å; L57-L285 HydrophobicContact CD1-CB 4.4Å; L57-L285 HydrophobicContact CD1-CD1 4.02Å; L57-L285 HydrophobicContact CD2-CB 4.16Å; L57-L285 HydrophobicContact CG-CD1 4.45Å; N282-L285 WeakPolarHBondContact O-CB 3.18Å; N282-L285 PolarHBondContact O-N 3.02Å; D283-L285 VanDerWaalsContact C-N 3.28Å; D283-L285 PolarHBondContact O-N 3.07Å; L285-R289 WeakPolarHBondContact O-CD 3.47Å; L285-R289 WeakPolarHBondContact O-CG 3.42Å; L285-R289 PolarHBondContact O-N 3.22Å; L285-R289 PolarHBondContact O-NH1 3.13Å; L285-L519 HydrophobicContact CD2-CD1 4.33Å; L285-L519 HydrophobicContact CD2-CD2 3.77Å; L285-E699 HydrophobicContact CD2-CB 3.85Å; L285-E699 HydrophobicContact CD2-CG 4.2Å; L285-L703 HydrophobicContact CD1-CD1 3.67Å; L285-L703 HydrophobicContact CD2-CD1 4.11Å; L285-L703 HydrophobicContact CD2-CG 4.42Å; L285-L703 HydrophobicContact CG-CD1 3.81Å; L285-L703 HydrophobicContact CG-CD2 4.48Å
286	I	92.3	Very high	93	Very high	39 Å²	39	41.5 Å²	41.5	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-46.9	176.6	-65.8	176.5	0	0	0	109.5	N282 D283 A288 R289 K291 A293	N282-I286 WeakPolarHBondContact ND2-CD1 3.24Å; N282-I286 PolarHBondContact O-N 3.29Å; N282-I286 VanDerWaalsContact O-N 3.15Å; D283-I286 PolarHBondContact O-N 3.01Å; I286-A288 PolarHBondContact O-N 2.78Å; I286-R289 WeakPolarHBondContact O-CB 3.4Å; I286-R289 PolarHBondContact O-N 3.45Å; I286-R289 VanDerWaalsContact O-N 3.11Å; I286-K291 HydrophobicContact CG2-CB 3.5Å; I286-K291 VanDerWaalsContact CG2-CB 3.5Å; I286-K291 HydrophobicContact CG2-CD 4.45Å; I286-K291 PolarHBondContact O-N 3.21Å; I286-A293 HydrophobicContact CB-CB 4.47Å; I286-A293 HydrophobicContact CG2-CB 4.3Å
287	Y	94.2	Very high	93	Very high	72 Å²	72	43.9 Å²	43.9	28%	0.282	25%	0.249	S	C	.	.	H	α-helix	trans	-59.3	-46.9	177.1	-175	-90.6	0	0	0	112.1	D283 R289 G290 A293 V296 I300 L516	D283-Y287 WeakPolarHBondContact O-CB 3.45Å; D283-Y287 PolarHBondContact O-N 3.01Å; Y287-R289 PolarHBondContact O-N 2.99Å; Y287-G290 PolarHBondContact O-N 3.3Å; Y287-A293 HydrophobicContact CD2-CB 4.37Å; Y287-V296 HydrophobicContact CD1-CG1 4.22Å; Y287-V296 HydrophobicContact CD2-CB 4.4Å; Y287-V296 HydrophobicContact CD2-CG1 3.78Å; Y287-V296 HydrophobicContact CE2-CG1 4.31Å; Y287-V296 HydrophobicContact CG-CB 4.47Å; Y287-V296 HydrophobicContact CG-CG1 3.74Å; Y287-I300 HydrophobicContact CD2-CD1 4.42Å; Y287-I300 HydrophobicContact CE1-CD1 4.15Å; Y287-I300 HydrophobicContact CE2-CD1 3.58Å; Y287-I300 VanDerWaalsContact CZ-CD1 3.42Å; Y287-I300 WeakPolarHBondContact OH-CD1 3.48Å; Y287-L516 HydrophobicContact CD1-CD1 3.9Å; Y287-L516 HydrophobicContact CD1-CD2 4.03Å; Y287-L516 HydrophobicContact CD1-CG 4.42Å; Y287-L516 HydrophobicContact CE1-CD1 3.89Å
288	A	93.1	Very high	93.1	Very high	5 Å²	5	44 Å²	44	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-17.1	177.9	0	0	0	0	0	114	C284 I286 L519	C284-A288 WeakPolarHBondContact O-CB 3.42Å; C284-A288 PolarHBondContact O-N 3.35Å; I286-A288 PolarHBondContact O-N 2.78Å; A288-L519 HydrophobicContact CB-CB 3.71Å
289	R	93.1	Very high	93.3	Very high	31 Å²	31	39.4 Å²	39.4	12%	0.117	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	10.4	174.9	-68.9	170.1	173.5	70	2.2	112.9	L57 L285 I286 Y287 K291 D528 E699	L57-R289 VanDerWaalsContact CD1-NH2 3.29Å; L285-R289 WeakPolarHBondContact O-CD 3.47Å; L285-R289 WeakPolarHBondContact O-CG 3.42Å; L285-R289 PolarHBondContact O-N 3.22Å; L285-R289 PolarHBondContact O-NH1 3.13Å; I286-R289 WeakPolarHBondContact O-CB 3.4Å; I286-R289 PolarHBondContact O-N 3.45Å; I286-R289 VanDerWaalsContact O-N 3.11Å; Y287-R289 PolarHBondContact O-N 2.99Å; R289-K291 VanDerWaalsContact C-N 3.27Å; R289-K291 PolarHBondContact O-N 3.46Å; R289-D528 IonicContact CZ-OD1 3.54Å; R289-D528 IonicContact CZ-OD2 2.75Å; R289-D528 IonicContact NE-OD1 3.92Å; R289-D528 IonicContact NE-OD2 3.79Å; R289-D528 PolarHBondContact NE-OD2 2.77Å; R289-D528 IonicContact NH2-OD1 3.81Å; R289-D528 PolarHBondContact NH2-OD1 3.29Å; R289-D528 IonicContact NH2-OD2 3.95Å; R289-E699 IonicContact CZ-OE1 3.2Å; R289-E699 IonicContact NH1-OE1 2.81Å; R289-E699 PolarHBondContact NH1-OE1 3.15Å; R289-E699 IonicContact NH2-OE1 3.43Å; R289-E699 PolarHBondContact NH2-OE1 3.17Å; R289-E699 IonicContact NH2-OE2 3.3Å; R289-E699 PolarHBondContact NH2-OE2 2.85Å
290	G	91.2	Very high	93.4	Very high	76 Å²	76	40.7 Å²	40.7	78%	0.784	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	18.7	-180	0	0	0	0	0	114.3	Y287	Y287-G290 PolarHBondContact O-N 3.3Å
291	K	91.4	Very high	93.7	Very high	127 Å²	127	40.9 Å²	40.9	55%	0.552	24%	0.241	S	C	*	.			trans	-98.7	150.6	178.4	-67.8	178.6	-177	177.6	0	110.5	I286 R289 A293	I286-K291 HydrophobicContact CG2-CB 3.5Å; I286-K291 VanDerWaalsContact CG2-CB 3.5Å; I286-K291 HydrophobicContact CG2-CD 4.45Å; I286-K291 PolarHBondContact O-N 3.21Å; R289-K291 VanDerWaalsContact C-N 3.27Å; R289-K291 PolarHBondContact O-N 3.46Å; K291-A293 PolarHBondContact O-N 3.41Å
292	P	91.2	Very high	93.9	Very high	122 Å²	122	40.8 Å²	40.8	79%	0.792	24%	0.24	S	C	*	.			trans	-63.2	130.3	179.5	26.3	-34.3	0	0	0	110.8
293	A	93.6	Very high	94.3	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	24%	0.242	C	C	.	.			trans	-135.7	91.3	-177	0	0	0	0	0	108.8	D283 I286 Y287 K291 S295 V296 Q297	D283-A293 HydrophobicContact CB-CB 4.02Å; D283-A293 WeakPolarHBondContact O-CB 3.2Å; I286-A293 HydrophobicContact CB-CB 4.47Å; I286-A293 HydrophobicContact CG2-CB 4.3Å; Y287-A293 HydrophobicContact CD2-CB 4.37Å; K291-A293 PolarHBondContact O-N 3.41Å; A293-S295 VanDerWaalsContact C-N 3.32Å; A293-S295 PolarHBondContact O-N 2.96Å; A293-V296 HydrophobicContact CB-CB 4.19Å; A293-V296 HydrophobicContact CB-CG2 4.44Å; A293-V296 PolarHBondContact O-N 3.18Å; A293-Q297 WeakPolarHBondContact O-CB 3.43Å; A293-Q297 PolarHBondContact O-N 2.74Å
294	P	92.9	Very high	94.4	Very high	99 Å²	99	42.5 Å²	42.5	64%	0.643	25%	0.248	S	C	*	.	H	α-helix	trans	-58.3	-38.3	-168	-26.5	34.9	0	0	0	114.4	Q297 A298	P294-Q297 PolarHBondContact O-N 2.77Å; P294-A298 PolarHBondContact O-N 3.2Å
295	S	93.3	Very high	94.4	Very high	25 Å²	25	44.4 Å²	44.4	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-37.1	-177.6	71.5	0	0	0	0	112.4	E280 D283 A293 T299	E280-S295 PolarHBondContact N-OG 3.16Å; E280-S295 VanDerWaalsContact N-OG 3.13Å; D283-S295 VanDerWaalsContact CB-OG 3.25Å; D283-S295 WeakPolarHBondContact CB-OG 3.35Å; D283-S295 VanDerWaalsContact CG-OG 3.31Å; D283-S295 WeakPolarHBondContact OD2-CB 3.47Å; D283-S295 PolarHBondContact OD2-N 2.81Å; D283-S295 PolarHBondContact OD2-OG 3.39Å; A293-S295 VanDerWaalsContact C-N 3.32Å; A293-S295 PolarHBondContact O-N 2.96Å; S295-T299 PolarHBondContact O-OG1 3.25Å
296	V	96.2	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.3	-42.7	172.8	173.9	0	0	0	0	110.6	M279 D283 Y287 A293 A298 T299 I300 L512 L516	M279-V296 HydrophobicContact CG-CG2 4.17Å; M279-V296 HydrophobicContact SD-CG2 4.18Å; D283-V296 HydrophobicContact CB-CG2 3.92Å; Y287-V296 HydrophobicContact CD1-CG1 4.22Å; Y287-V296 HydrophobicContact CD2-CB 4.4Å; Y287-V296 HydrophobicContact CD2-CG1 3.78Å; Y287-V296 HydrophobicContact CE2-CG1 4.31Å; Y287-V296 HydrophobicContact CG-CB 4.47Å; Y287-V296 HydrophobicContact CG-CG1 3.74Å; A293-V296 HydrophobicContact CB-CB 4.19Å; A293-V296 HydrophobicContact CB-CG2 4.44Å; A293-V296 PolarHBondContact O-N 3.18Å; V296-A298 VanDerWaalsContact C-N 3.31Å; V296-A298 PolarHBondContact O-N 2.87Å; V296-T299 WeakPolarHBondContact O-CB 3.33Å; V296-T299 PolarHBondContact O-N 3.44Å; V296-T299 VanDerWaalsContact O-N 3.11Å; V296-I300 HydrophobicContact CG1-CD1 3.93Å; V296-I300 HydrophobicContact CG1-CG1 4.49Å; V296-I300 PolarHBondContact O-N 2.88Å; V296-I300 VanDerWaalsContact O-N 3.1Å; V296-L512 HydrophobicContact CG1-CD2 3.99Å; V296-L516 HydrophobicContact CG1-CD1 3.97Å
297	Q	96.5	Very high	94.7	Very high	53 Å²	53	43.7 Å²	43.7	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-41.6	179.5	-170.4	61.3	47.6	0	0	111.5	A293 P294 T299 I300 D301	A293-Q297 WeakPolarHBondContact O-CB 3.43Å; A293-Q297 PolarHBondContact O-N 2.74Å; P294-Q297 PolarHBondContact O-N 2.77Å; Q297-T299 VanDerWaalsContact C-N 3.27Å; Q297-T299 PolarHBondContact O-N 2.97Å; Q297-I300 CarbonylContact O-C 3.45Å; Q297-I300 PolarHBondContact O-N 2.72Å; Q297-I300 VanDerWaalsContact O-N 3.08Å; Q297-D301 PolarHBondContact NE2-OD1 3.5Å; Q297-D301 WeakPolarHBondContact O-CB 3.39Å; Q297-D301 PolarHBondContact O-N 2.96Å
298	A	96.4	Very high	94.7	Very high	37 Å²	37	42.9 Å²	42.9	31%	0.306	25%	0.25	S	S	.	.	H	α-helix	trans	-58.6	-37.8	176.3	0	0	0	0	0	113	L275 P294 V296 Q302	L275-A298 HydrophobicContact CD2-CB 4.08Å; P294-A298 PolarHBondContact O-N 3.2Å; V296-A298 VanDerWaalsContact C-N 3.31Å; V296-A298 PolarHBondContact O-N 2.87Å; A298-Q302 WeakPolarHBondContact O-CB 3.48Å; A298-Q302 PolarHBondContact O-N 3.21Å; A298-Q302 VanDerWaalsContact O-N 3.1Å
299	T	97.3	Very high	94.7	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-38.8	175.9	-54.5	0	0	0	0	111.5	S295 V296 Q297 Y303 L512	S295-T299 PolarHBondContact O-OG1 3.25Å; V296-T299 WeakPolarHBondContact O-CB 3.33Å; V296-T299 PolarHBondContact O-N 3.44Å; V296-T299 VanDerWaalsContact O-N 3.11Å; Q297-T299 VanDerWaalsContact C-N 3.27Å; Q297-T299 PolarHBondContact O-N 2.97Å; T299-Y303 PolarHBondContact O-N 3.13Å; T299-Y303 VanDerWaalsContact O-N 3.17Å; T299-L512 HydrophobicContact CG2-CD2 4.18Å
300	I	95.8	Very high	94.6	Very high	30 Å²	30	41.3 Å²	41.3	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-41.9	176.4	-66.7	172.3	0	0	0	111	Y287 V296 Q297 Q302 Y303 N304 L516	Y287-I300 HydrophobicContact CD2-CD1 4.42Å; Y287-I300 HydrophobicContact CE1-CD1 4.15Å; Y287-I300 HydrophobicContact CE2-CD1 3.58Å; Y287-I300 VanDerWaalsContact CZ-CD1 3.42Å; Y287-I300 WeakPolarHBondContact OH-CD1 3.48Å; V296-I300 HydrophobicContact CG1-CD1 3.93Å; V296-I300 HydrophobicContact CG1-CG1 4.49Å; V296-I300 PolarHBondContact O-N 2.88Å; V296-I300 VanDerWaalsContact O-N 3.1Å; Q297-I300 CarbonylContact O-C 3.45Å; Q297-I300 PolarHBondContact O-N 2.72Å; Q297-I300 VanDerWaalsContact O-N 3.08Å; I300-Q302 VanDerWaalsContact C-N 3.34Å; I300-Q302 PolarHBondContact O-N 3.3Å; I300-Y303 WeakPolarHBondContact O-CB 3.16Å; I300-Y303 PolarHBondContact O-N 3.22Å; I300-N304 WeakPolarHBondContact CG2-ND2 3.26Å; I300-N304 WeakPolarHBondContact O-CB 3.43Å; I300-N304 VanDerWaalsContact O-CG 3.31Å; I300-N304 PolarHBondContact O-N 3.3Å; I300-N304 PolarHBondContact O-ND2 2.93Å; I300-L516 HydrophobicContact CD1-CD1 4.49Å
301	D	95.8	Very high	94.5	Very high	84 Å²	84	37.7 Å²	37.7	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-41.2	179.6	-68.9	-16.7	0	0	0	111	Q297 N304 K305	Q297-D301 PolarHBondContact NE2-OD1 3.5Å; Q297-D301 WeakPolarHBondContact O-CB 3.39Å; Q297-D301 PolarHBondContact O-N 2.96Å; D301-N304 PolarHBondContact O-N 3.37Å; D301-K305 WeakPolarHBondContact O-CB 3.39Å; D301-K305 PolarHBondContact O-N 3.33Å
302	Q	96.1	Very high	94.4	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-44.3	173.3	-179.4	71	6.5	0	0	112.1	D272 L275 A298 I300 K305 L306 F728	D272-Q302 WeakPolarHBondContact OD1-CG 3.36Å; L275-Q302 HydrophobicContact CD1-CB 3.41Å; L275-Q302 VanDerWaalsContact CD1-CB 3.41Å; L275-Q302 HydrophobicContact CD1-CG 3.6Å; A298-Q302 WeakPolarHBondContact O-CB 3.48Å; A298-Q302 PolarHBondContact O-N 3.21Å; A298-Q302 VanDerWaalsContact O-N 3.1Å; I300-Q302 VanDerWaalsContact C-N 3.34Å; I300-Q302 PolarHBondContact O-N 3.3Å; Q302-K305 PolarHBondContact O-N 3.02Å; Q302-L306 PolarHBondContact O-N 3.44Å; Q302-F728 VanDerWaalsContact NE2-CE1 3.27Å
303	Y	97.5	Very high	94.1	Very high	19 Å²	19	26.1 Å²	26.1	8%	0.075	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-50.2	175.1	175.6	-82.3	0	0	0	111.5	T299 I300 K305 L306 Y307 S395 K398 A399 M402 Y511	T299-Y303 PolarHBondContact O-N 3.13Å; T299-Y303 VanDerWaalsContact O-N 3.17Å; I300-Y303 WeakPolarHBondContact O-CB 3.16Å; I300-Y303 PolarHBondContact O-N 3.22Å; Y303-K305 VanDerWaalsContact C-N 3.31Å; Y303-K305 PolarHBondContact O-N 3.22Å; Y303-L306 PolarHBondContact O-N 3.22Å; Y303-Y307 WeakPolarHBondContact O-CB 3.49Å; Y303-Y307 PolarHBondContact O-N 2.65Å; Y303-S395 WeakPolarHBondContact CD2-O 3.45Å; Y303-S395 WeakPolarHBondContact CE2-O 3.39Å; Y303-K398 HydrophobicContact CE2-CB 4.05Å; Y303-K398 HydrophobicContact CE2-CG 4.04Å; Y303-K398 PolarHBondContact OH-O 2.93Å; Y303-A399 HydrophobicContact CD2-CB 3.67Å; Y303-A399 HydrophobicContact CE1-CB 4.42Å; Y303-A399 VanDerWaalsContact CE2-CA 3.42Å; Y303-A399 HydrophobicContact CE2-CB 3.53Å; Y303-A399 VanDerWaalsContact CE2-N 3.26Å; Y303-A399 HydrophobicContact CG-CB 4.17Å; Y303-M402 WeakPolarHBondContact OH-CG 3.44Å; Y303-Y511 HydrophobicContact CD2-CD2 4.07Å; Y303-Y511 AromaticContact CD2-CE2 3.91Å; Y303-Y511 HydrophobicContact CD2-CE2 3.91Å; Y303-Y511 AromaticContact CE2-CD2 3.73Å; Y303-Y511 HydrophobicContact CE2-CD2 3.73Å; Y303-Y511 AromaticContact CE2-CE2 3.46Å; Y303-Y511 HydrophobicContact CE2-CE2 3.46Å; Y303-Y511 VanDerWaalsContact CE2-CE2 3.46Å; Y303-Y511 AromaticContact CZ-CE2 3.84Å
304	N	95.7	Very high	93.6	Very high	44 Å²	44	26 Å²	26	24%	0.235	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-38.1	-180	-71.2	-24	0	0	0	111.5	I300 D301 Y307 H308	I300-N304 WeakPolarHBondContact CG2-ND2 3.26Å; I300-N304 WeakPolarHBondContact O-CB 3.43Å; I300-N304 VanDerWaalsContact O-CG 3.31Å; I300-N304 PolarHBondContact O-N 3.3Å; I300-N304 PolarHBondContact O-ND2 2.93Å; D301-N304 PolarHBondContact O-N 3.37Å; N304-Y307 WeakPolarHBondContact O-CB 3.39Å; N304-Y307 PolarHBondContact O-N 3.1Å; N304-H308 PolarHBondContact O-CD2 3.31Å; N304-H308 PolarHBondContact O-N 3.41Å
305	K	95.2	Very high	93.2	Very high	39 Å²	39	21.7 Å²	21.7	17%	0.17	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-46.4	175.1	178.5	173.6	176.5	-169.7	0	111.6	D301 Q302 Y303 H308 L309 F728 H729 L733	D301-K305 WeakPolarHBondContact O-CB 3.39Å; D301-K305 PolarHBondContact O-N 3.33Å; Q302-K305 PolarHBondContact O-N 3.02Å; Y303-K305 VanDerWaalsContact C-N 3.31Å; Y303-K305 PolarHBondContact O-N 3.22Å; K305-H308 PolarHBondContact O-N 3.25Å; K305-L309 VanDerWaalsContact O-CB 3.26Å; K305-L309 WeakPolarHBondContact O-CB 3.36Å; K305-L309 PolarHBondContact O-N 2.86Å; K305-F728 HydrophobicContact CD-CD1 4.36Å; K305-F728 HydrophobicContact CD-CE1 3.61Å; K305-F728 HydrophobicContact CD-CZ 3.85Å; K305-F728 WeakPolarHBondContact CE-O 3.31Å; K305-F728 HydrophobicContact CG-CE1 4.17Å; K305-F728 HydrophobicContact CG-CZ 3.87Å; K305-F728 VanDerWaalsContact NZ-CD1 3.3Å; K305-F728 PolarHBondContact NZ-O 2.91Å; K305-H729 VanDerWaalsContact NZ-CA 3.32Å; K305-H729 PolarHBondContact NZ-CD2 3.42Å; K305-H729 VanDerWaalsContact NZ-CG 3.3Å; K305-H729 PolarHBondContact NZ-NE2 2.97Å; K305-L733 HydrophobicContact CG-CD1 4.13Å
306	L	96.3	Very high	92.3	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-41.6	175.8	179.3	58.6	0	0	0	111.6	L268 Q302 Y303 H308 L309 V310 W381 A396 A399 I400 F728	L268-L306 HydrophobicContact CD1-CD1 4.01Å; L268-L306 HydrophobicContact CD1-CD2 4.22Å; L268-L306 HydrophobicContact CD2-CD1 3.98Å; L268-L306 HydrophobicContact CD2-CD2 4.25Å; Q302-L306 PolarHBondContact O-N 3.44Å; Y303-L306 PolarHBondContact O-N 3.22Å; L306-H308 PolarHBondContact O-N 3.39Å; L306-L309 HydrophobicContact CD1-CD2 4.24Å; L306-L309 WeakPolarHBondContact O-CB 3.4Å; L306-L309 PolarHBondContact O-N 2.87Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 2.81Å; L306-V310 VanDerWaalsContact O-N 3.09Å; L306-W381 HydrophobicContact CD1-CH2 4.18Å; L306-W381 HydrophobicContact CD1-CZ3 4.08Å; L306-A396 HydrophobicContact CD2-CB 3.5Å; L306-A396 VanDerWaalsContact CD2-CB 3.5Å; L306-A399 HydrophobicContact CB-CB 4.21Å; L306-A399 HydrophobicContact CD2-CB 3.93Å; L306-A399 HydrophobicContact CG-CB 4.06Å; L306-I400 HydrophobicContact CD1-CG1 4.37Å; L306-I400 HydrophobicContact CD2-CD1 4.44Å; L306-I400 HydrophobicContact CD2-CG1 4.2Å; L306-I400 HydrophobicContact CG-CG1 4.22Å; L306-F728 HydrophobicContact CD1-CE2 4.45Å
307	Y	96.2	Very high	90.5	Very high	20 Å²	20	26.7 Å²	26.7	8%	0.078	15%	0.147	C	C	.	.	H	α-helix	trans	-56.1	-49.6	174.5	174	-84	0	0	0	111.8	Y303 N304 V310 Q311 M402 A403 S406	Y303-Y307 WeakPolarHBondContact O-CB 3.49Å; Y303-Y307 PolarHBondContact O-N 2.65Å; N304-Y307 WeakPolarHBondContact O-CB 3.39Å; N304-Y307 PolarHBondContact O-N 3.1Å; Y307-V310 PolarHBondContact O-N 2.85Å; Y307-Q311 HydrophobicContact CE1-CG 4.48Å; Y307-Q311 PolarHBondContact O-N 3.09Å; Y307-Q311 PolarHBondContact OH-NE2 3.2Å; Y307-M402 HydrophobicContact CD2-CB 3.96Å; Y307-M402 VanDerWaalsContact CE2-C 3.48Å; Y307-M402 HydrophobicContact CE2-CB 3.93Å; Y307-M402 WeakPolarHBondContact CE2-O 3.31Å; Y307-A403 HydrophobicContact CD2-CB 3.72Å; Y307-A403 VanDerWaalsContact CE2-CA 3.48Å; Y307-A403 HydrophobicContact CE2-CB 4.01Å; Y307-A403 HydrophobicContact CG-CB 4.15Å; Y307-A403 WeakPolarHBondContact O-CB 3.41Å; Y307-S406 WeakPolarHBondContact OH-CB 3.31Å
308	H	93.9	Very high	88.3	Confident	55 Å²	55	29.3 Å²	29.3	26%	0.255	16%	0.163	S	C	.	.	H	α-helix	trans	-70.7	-31.1	178.3	-71.3	-52.3	0	0	0	112.6	N304 K305 L306 V310 Q311 S312 L733	N304-H308 PolarHBondContact O-CD2 3.31Å; N304-H308 PolarHBondContact O-N 3.41Å; K305-H308 PolarHBondContact O-N 3.25Å; L306-H308 PolarHBondContact O-N 3.39Å; H308-V310 VanDerWaalsContact C-N 3.32Å; H308-V310 PolarHBondContact O-N 3.12Å; H308-Q311 PolarHBondContact ND1-OE1 3.22Å; H308-Q311 PolarHBondContact O-N 3.38Å; H308-S312 WeakPolarHBondContact O-CB 3.26Å; H308-S312 PolarHBondContact O-N 3.12Å; H308-S312 PolarHBondContact O-OG 3Å; H308-L733 HydrophobicContact CB-CD1 4.43Å; H308-L733 HydrophobicContact CB-CD2 4.32Å
309	L	92.2	Very high	85.9	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-43.1	174.7	176.4	63.3	0	0	0	111.2	K305 L306 S312 S313 W381 W727 F728 Y731 L733	K305-L309 VanDerWaalsContact O-CB 3.26Å; K305-L309 WeakPolarHBondContact O-CB 3.36Å; K305-L309 PolarHBondContact O-N 2.86Å; L306-L309 HydrophobicContact CD1-CD2 4.24Å; L306-L309 WeakPolarHBondContact O-CB 3.4Å; L306-L309 PolarHBondContact O-N 2.87Å; L309-S312 PolarHBondContact O-N 3.49Å; L309-S313 VanDerWaalsContact O-CB 3.32Å; L309-S313 WeakPolarHBondContact O-CB 3.35Å; L309-S313 PolarHBondContact O-N 2.76Å; L309-S313 PolarHBondContact O-OG 2.8Å; L309-W381 HydrophobicContact CD2-CH2 4.08Å; L309-W381 HydrophobicContact CG-CH2 4.12Å; L309-W381 HydrophobicContact CG-CZ2 4.22Å; L309-W727 HydrophobicContact CD1-CH2 4.43Å; L309-W727 HydrophobicContact CD1-CZ2 4.46Å; L309-W727 HydrophobicContact CD2-CH2 3.88Å; L309-W727 HydrophobicContact CD2-CZ3 4.39Å; L309-F728 HydrophobicContact CD2-CD2 3.61Å; L309-F728 HydrophobicContact CD2-CE2 3.53Å; L309-Y731 HydrophobicContact CD1-CD1 3.25Å; L309-Y731 HydrophobicContact CD1-CD2 3.98Å; L309-Y731 HydrophobicContact CD1-CE1 3.67Å; L309-Y731 HydrophobicContact CD1-CE2 4.35Å; L309-Y731 HydrophobicContact CD1-CG 3.42Å; L309-Y731 VanDerWaalsContact CD1-CG 3.42Å; L309-L733 HydrophobicContact CB-CD2 4.06Å; L309-L733 HydrophobicContact CD1-CD2 4.4Å
310	V	92	Very high	83.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-51.4	175.9	175.3	0	0	0	0	110.2	L306 Y307 H308 S312 S313 M314 W381 I400 A403 L404	L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 2.81Å; L306-V310 VanDerWaalsContact O-N 3.09Å; Y307-V310 PolarHBondContact O-N 2.85Å; H308-V310 VanDerWaalsContact C-N 3.32Å; H308-V310 PolarHBondContact O-N 3.12Å; V310-S312 VanDerWaalsContact C-N 3.35Å; V310-S312 PolarHBondContact O-N 3.07Å; V310-S313 PolarHBondContact O-N 2.8Å; V310-S313 PolarHBondContact O-OG 3.13Å; V310-M314 PolarHBondContact O-N 2.5Å; V310-W381 HydrophobicContact CB-CD2 4.4Å; V310-W381 HydrophobicContact CB-CZ2 4.31Å; V310-W381 HydrophobicContact CG1-CD2 4.23Å; V310-W381 HydrophobicContact CG1-CG 4.08Å; V310-W381 HydrophobicContact CG2-CD2 3.74Å; V310-W381 HydrophobicContact CG2-CE3 3.76Å; V310-W381 HydrophobicContact CG2-CG 4.41Å; V310-W381 HydrophobicContact CG2-CH2 3.83Å; V310-W381 HydrophobicContact CG2-CZ2 3.8Å; V310-W381 HydrophobicContact CG2-CZ3 3.81Å; V310-I400 HydrophobicContact CG2-CB 4.35Å; V310-I400 HydrophobicContact CG2-CG1 3.86Å; V310-I400 HydrophobicContact CG2-CG2 4.33Å; V310-A403 HydrophobicContact CB-CB 3.58Å; V310-A403 HydrophobicContact CG1-CB 3.61Å; V310-A403 HydrophobicContact CG2-CB 4.19Å; V310-L404 HydrophobicContact CG1-CD2 4.14Å; V310-L404 HydrophobicContact CG1-CG 4.44Å
311	Q	90	Very high	81.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-46.5	176.7	-68.5	-177.3	-32.7	0	0	111.8	Y307 H308 S313 M314 F315 A403 S406 A739	Y307-Q311 HydrophobicContact CE1-CG 4.48Å; Y307-Q311 PolarHBondContact O-N 3.09Å; Y307-Q311 PolarHBondContact OH-NE2 3.2Å; H308-Q311 PolarHBondContact ND1-OE1 3.22Å; H308-Q311 PolarHBondContact O-N 3.38Å; Q311-S313 PolarHBondContact O-N 3.02Å; Q311-M314 WeakPolarHBondContact O-CB 3.44Å; Q311-M314 PolarHBondContact O-N 3.22Å; Q311-M314 VanDerWaalsContact O-N 3.08Å; Q311-F315 WeakPolarHBondContact O-CD2 3.49Å; Q311-F315 PolarHBondContact O-N 2.97Å; Q311-F315 VanDerWaalsContact O-N 3.1Å; Q311-A403 HydrophobicContact CG-CB 4.42Å; Q311-S406 PolarHBondContact NE2-OG 3.06Å; Q311-A739 HydrophobicContact CB-CB 4.39Å
312	S	88.1	Confident	79.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-40	-177.5	-54.9	0	0	0	0	111.9	H308 L309 V310 M314 F315 N316 L733 I734	H308-S312 WeakPolarHBondContact O-CB 3.26Å; H308-S312 PolarHBondContact O-N 3.12Å; H308-S312 PolarHBondContact O-OG 3Å; L309-S312 PolarHBondContact O-N 3.49Å; V310-S312 VanDerWaalsContact C-N 3.35Å; V310-S312 PolarHBondContact O-N 3.07Å; S312-M314 PolarHBondContact O-N 2.74Å; S312-F315 PolarHBondContact O-N 3.21Å; S312-F315 VanDerWaalsContact O-N 3.16Å; S312-N316 VanDerWaalsContact O-CB 3.23Å; S312-N316 WeakPolarHBondContact O-CB 3.35Å; S312-N316 VanDerWaalsContact O-CG 3.31Å; S312-N316 PolarHBondContact O-N 3.36Å; S312-N316 PolarHBondContact O-ND2 3.32Å; S312-L733 WeakPolarHBondContact OG-CA 3.47Å; S312-I734 WeakPolarHBondContact OG-CG1 3.47Å; S312-I734 PolarHBondContact OG-N 3.15Å
313	S	85.6	Confident	76.7	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-21.7	175.7	73.6	0	0	0	0	113.6	L309 V310 Q311 W381 Y731	L309-S313 VanDerWaalsContact O-CB 3.32Å; L309-S313 WeakPolarHBondContact O-CB 3.35Å; L309-S313 PolarHBondContact O-N 2.76Å; L309-S313 PolarHBondContact O-OG 2.8Å; V310-S313 PolarHBondContact O-N 2.8Å; V310-S313 PolarHBondContact O-OG 3.13Å; Q311-S313 PolarHBondContact O-N 3.02Å; S313-W381 PolarHBondContact OG-NE1 2.98Å; S313-Y731 WeakPolarHBondContact CA-OH 3.45Å
314	M	83	Confident	73.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-87.9	-31.6	174.8	-66.7	-170.9	68.5	0	0	112.4	V310 Q311 S312 K374 C377 I378 L404 V409 L412	V310-M314 PolarHBondContact O-N 2.5Å; Q311-M314 WeakPolarHBondContact O-CB 3.44Å; Q311-M314 PolarHBondContact O-N 3.22Å; Q311-M314 VanDerWaalsContact O-N 3.08Å; S312-M314 PolarHBondContact O-N 2.74Å; M314-K374 HydrophobicContact CE-CB 4.47Å; M314-K374 VanDerWaalsContact O-CD 3.23Å; M314-K374 WeakPolarHBondContact O-CD 3.37Å; M314-K374 WeakPolarHBondContact O-CE 3.49Å; M314-K374 PolarHBondContact O-NZ 3.42Å; M314-C377 HydrophobicContact CG-CB 4.08Å; M314-I378 HydrophobicContact CE-CD1 3.8Å; M314-I378 HydrophobicContact CE-CG1 3.4Å; M314-I378 HydrophobicContact SD-CG1 4.11Å; M314-L404 HydrophobicContact SD-CD2 4.39Å; M314-V409 HydrophobicContact CE-CG1 3.81Å; M314-V409 HydrophobicContact SD-CB 4.37Å; M314-V409 HydrophobicContact SD-CG1 3.64Å; M314-V409 HydrophobicContact SD-CG2 3.78Å; M314-L412 HydrophobicContact CE-CD1 3.49Å; M314-L412 VanDerWaalsContact CE-CD1 3.49Å
315	F	83.1	Confident	71.2	Confident	9 Å²	9	41.1 Å²	41.1	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-116.1	-5.1	-170.4	-59.4	-63.6	0	0	0	115.3	Q311 S312 P408 V409 L412 I734 A739 R742 L746	Q311-F315 WeakPolarHBondContact O-CD2 3.49Å; Q311-F315 PolarHBondContact O-N 2.97Å; Q311-F315 VanDerWaalsContact O-N 3.1Å; S312-F315 PolarHBondContact O-N 3.21Å; S312-F315 VanDerWaalsContact O-N 3.16Å; F315-P408 HydrophobicContact CE2-CB 3.87Å; F315-P408 HydrophobicContact CZ-CB 4.18Å; F315-P408 WeakPolarHBondContact CZ-O 3.06Å; F315-V409 HydrophobicContact CE2-CG2 3.98Å; F315-V409 HydrophobicContact CZ-CG2 4.3Å; F315-L412 HydrophobicContact CE1-CD1 3.87Å; F315-L412 HydrophobicContact CE1-CD2 4.26Å; F315-L412 HydrophobicContact CE1-CG 4.37Å; F315-L412 HydrophobicContact CZ-CD1 3.86Å; F315-L412 HydrophobicContact CZ-CG 4.4Å; F315-I734 HydrophobicContact CB-CD1 3.6Å; F315-I734 HydrophobicContact CD2-CD1 4.37Å; F315-I734 HydrophobicContact CG-CD1 4.44Å; F315-A739 HydrophobicContact CD2-CB 3.72Å; F315-A739 HydrophobicContact CE2-CB 4.14Å; F315-R742 HydrophobicContact CB-CB 4.23Å; F315-R742 HydrophobicContact CD1-CB 4.33Å; F315-R742 HydrophobicContact CG-CB 4.48Å; F315-R742 VanDerWaalsContact O-CD 3.22Å; F315-R742 WeakPolarHBondContact O-CD 3.34Å; F315-R742 PolarHBondContact O-NH1 3.26Å; F315-L746 HydrophobicContact CD1-CD1 4.03Å; F315-L746 HydrophobicContact CE1-CD1 4.18Å
316	N	76.3	Confident	68.2	Low	31 Å²	31	45 Å²	45	17%	0.166	24%	0.238	C	C	.	.	S	Bend	trans	-70.9	144.3	167.5	-74.8	-22.8	0	0	0	110.8	S312 P732 I734 R742	S312-N316 VanDerWaalsContact O-CB 3.23Å; S312-N316 WeakPolarHBondContact O-CB 3.35Å; S312-N316 VanDerWaalsContact O-CG 3.31Å; S312-N316 PolarHBondContact O-N 3.36Å; S312-N316 PolarHBondContact O-ND2 3.32Å; N316-P732 PolarHBondContact ND2-O 3.39Å; N316-I734 WeakPolarHBondContact OD1-CG2 3.32Å; N316-R742 PolarHBondContact OD1-NH1 2.75Å
317	S	56.5	Low	65.1	Low	98 Å²	98	48.8 Å²	48.8	69%	0.685	26%	0.263	S	S	*	.			trans	-50.9	157.7	-165.2	49.6	0	0	0	0	116.7	Q319	S317-Q319 PolarHBondContact O-N 3.25Å
318	D	51.8	Low	61.9	Low	108 Å²	108	53.4 Å²	53.4	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	16.9	-163.6	-60.3	-51.1	0	0	0	119.9	F321	D318-F321 HydrophobicContact CB-CE2 3.78Å; D318-F321 HydrophobicContact CB-CZ 4.2Å; D318-F321 WeakPolarHBondContact O-CE2 3.42Å; D318-F321 VanDerWaalsContact OD1-CZ 3.31Å; D318-F321 WeakPolarHBondContact OD1-CZ 3.46Å
319	Q	45.4	Very low	58.9	Low	125 Å²	125	53.6 Å²	53.6	58%	0.584	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.5	-171.5	-72.1	-84.8	-15	0	0	115.1	S317	S317-Q319 PolarHBondContact O-N 3.25Å
320	D	46.2	Very low	55.9	Low	71 Å²	71	61 Å²	61	38%	0.38	34%	0.337	S	S	.	.			trans	-148.3	79.5	-167.9	-84.6	-44.5	0	0	0	112.6	L253 N255 W257	L253-D320 WeakPolarHBondContact CD2-OD2 3.47Å; N255-D320 VanDerWaalsContact ND2-CB 3.32Å; N255-D320 WeakPolarHBondContact ND2-CB 3.46Å; N255-D320 PolarHBondContact ND2-O 2.96Å; N255-D320 PolarHBondContact ND2-OD1 3.09Å; W257-D320 PolarHBondContact NE1-O 2.9Å; W257-D320 VanDerWaalsContact NE1-O 3.08Å
321	F	50.4	Low	52.8	Low	35 Å²	35	71.5 Å²	71.5	15%	0.154	38%	0.379	C	S	.	.			trans	-106.3	159	-178.4	-69	-64.5	0	0	0	113.7	D318 I323 L373	D318-F321 HydrophobicContact CB-CE2 3.78Å; D318-F321 HydrophobicContact CB-CZ 4.2Å; D318-F321 WeakPolarHBondContact O-CE2 3.42Å; D318-F321 VanDerWaalsContact OD1-CZ 3.31Å; D318-F321 WeakPolarHBondContact OD1-CZ 3.46Å; F321-I323 PolarHBondContact O-N 3.37Å; F321-L373 HydrophobicContact CB-CB 4.45Å; F321-L373 HydrophobicContact CB-CD2 3.5Å; F321-L373 HydrophobicContact CB-CG 4.34Å; F321-L373 HydrophobicContact CD1-CB 3.93Å; F321-L373 HydrophobicContact CD2-CB 4.46Å; F321-L373 HydrophobicContact CD2-CD1 3.58Å; F321-L373 HydrophobicContact CD2-CD2 4.1Å; F321-L373 HydrophobicContact CD2-CG 4.25Å; F321-L373 HydrophobicContact CE1-CB 4.27Å; F321-L373 HydrophobicContact CE2-CD1 3.72Å; F321-L373 HydrophobicContact CG-CB 4.04Å; F321-L373 HydrophobicContact CG-CD1 3.98Å; F321-L373 HydrophobicContact CG-CD2 3.82Å; F321-L373 HydrophobicContact CG-CG 4.14Å; F321-L373 HydrophobicContact CZ-CD1 4.3Å
322	P	49.6	Very low	49.7	Very low	8 Å²	8	75.9 Å²	75.9	5%	0.052	41%	0.41	C	S	.	.			trans	-65.6	135.6	175.7	23.9	-28.1	0	0	0	110.9	W257 L324	W257-P322 HydrophobicContact CB-CB 3.72Å; W257-P322 HydrophobicContact CD2-CB 3.74Å; W257-P322 HydrophobicContact CD2-CG 3.91Å; W257-P322 HydrophobicContact CE3-CB 4.04Å; W257-P322 HydrophobicContact CE3-CG 4.25Å; W257-P322 HydrophobicContact CG-CB 3.6Å; W257-P322 HydrophobicContact CG-CG 4.12Å; P322-L324 VanDerWaalsContact C-N 3.26Å; P322-L324 PolarHBondContact O-N 3.31Å
323	I	45.6	Very low	46.6	Very low	111 Å²	111	86.9 Å²	86.9	57%	0.569	45%	0.451	S	S	*	.			trans	-75	86.3	167.8	-55.2	173.3	0	0	0	106.6	F321 V325	F321-I323 PolarHBondContact O-N 3.37Å; I323-V325 PolarHBondContact O-N 2.72Å
324	L	35.9	Very low	43.8	Very low	35 Å²	35	97.5 Å²	97.5	18%	0.183	49%	0.49	C	S	.	.			trans	-71.3	113	164.4	-84.7	-177.8	0	0	0	108.4	P322	P322-L324 VanDerWaalsContact C-N 3.26Å; P322-L324 PolarHBondContact O-N 3.31Å
325	V	40.9	Very low	41	Very low	106 Å²	106	106.2 Å²	106.2	64%	0.642	53%	0.529	S	S	*	.			trans	-75.4	120.7	161.3	-179.5	0	0	0	0	106.1	I323 P327	I323-V325 PolarHBondContact O-N 2.72Å; V325-P327 WeakPolarHBondContact O-CD 2.9Å
326	E	33.3	Very low	38.2	Very low	120 Å²	120	113.4 Å²	113.4	56%	0.561	57%	0.567	S	S	*	*			trans	-51.3	116.9	169.7	-112.8	-175.4	175.5	0	0	107.8	T328	E326-T328 VanDerWaalsContact C-N 3.27Å; E326-T328 PolarHBondContact O-N 2.7Å
327	P	31.5	Very low	35.9	Very low	84 Å²	84	121 Å²	121	55%	0.545	60%	0.599	S	S	.	*			trans	-63.1	108.1	154	26.5	-25.8	0	0	0	103.2	V325 P329 Y423	V325-P327 WeakPolarHBondContact O-CD 2.9Å; P327-P329 WeakPolarHBondContact O-CD 3.07Å; P327-Y423 HydrophobicContact CG-CE1 3.86Å
328	T	28.2	Very low	34.5	Very low	116 Å²	116	127.7 Å²	127.7	71%	0.712	61%	0.609	S	S	*	*			trans	-39.2	111.1	175.3	20	0	0	0	0	107.4	E326 I330	E326-T328 VanDerWaalsContact C-N 3.27Å; E326-T328 PolarHBondContact O-N 2.7Å; T328-I330 PolarHBondContact O-N 3.48Å
329	P	30.4	Very low	33.3	Very low	60 Å²	60	125.7 Å²	125.7	39%	0.39	61%	0.614	S	S	.	*			trans	-62.2	113	-174.4	18.6	-28.2	0	0	0	106.1	P327 Y331 S332	P327-P329 WeakPolarHBondContact O-CD 3.07Å; P329-Y331 PolarHBondContact O-N 3.32Å; P329-S332 PolarHBondContact O-N 2.77Å
330	I	29.9	Very low	32.5	Very low	157 Å²	157	127.6 Å²	127.6	81%	0.805	63%	0.628	S	S	*	*	S	Bend	trans	-58.2	-13.4	-179.8	-65.8	174.7	0	0	0	110.4	T328 S332	T328-I330 PolarHBondContact O-N 3.48Å; I330-S332 PolarHBondContact O-N 2.68Å
331	Y	27.1	Very low	31.5	Very low	221 Å²	221	134 Å²	134	87%	0.867	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	59.1	174.1	-66.7	-81.4	0	0	0	114.4	P329	P329-Y331 PolarHBondContact O-N 3.32Å
332	S	24.1	Very low	30.4	Very low	93 Å²	93	140 Å²	140	65%	0.65	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.2	28.7	150.9	73.6	0	0	0	0	115.5	P329 I330 R334	P329-S332 PolarHBondContact O-N 2.77Å; I330-S332 PolarHBondContact O-N 2.68Å; S332-R334 PolarHBondContact O-N 3.06Å
333	R	24	Very low	29.2	Very low	231 Å²	231	143.9 Å²	143.9	87%	0.872	71%	0.71	S	S	*	*			trans	-73.6	62.9	148.5	-103.5	-168.6	-70.3	-159.1	-6	108.8	F335	R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 PolarHBondContact O-N 3.35Å
334	R	25.9	Very low	28.3	Very low	229 Å²	229	145.2 Å²	145.2	86%	0.864	73%	0.726	S	S	*	*			trans	-60.7	109.8	154	-94.8	-171	-177.2	-179.5	2.7	104.9	S332 N336	S332-R334 PolarHBondContact O-N 3.06Å; R334-N336 VanDerWaalsContact C-N 3.28Å; R334-N336 PolarHBondContact O-N 3.07Å
335	F	25.6	Very low	27.7	Very low	183 Å²	183	147.2 Å²	147.2	80%	0.803	75%	0.747	S	S	*	*			trans	-44.9	90	168.6	-79.7	-101.8	0	0	0	110.4	R333 K337	R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 PolarHBondContact O-N 3.35Å; F335-K337 PolarHBondContact O-N 2.95Å
336	N	24.3	Very low	27	Very low	160 Å²	160	147.9 Å²	147.9	86%	0.856	75%	0.752	S	S	*	*			trans	-73.3	83.5	152.7	-87.9	-20.7	0	0	0	106.3	R334 R338	R334-N336 VanDerWaalsContact C-N 3.28Å; R334-N336 PolarHBondContact O-N 3.07Å; N336-R338 PolarHBondContact O-N 3.38Å
337	K	26.5	Very low	26.4	Very low	189 Å²	189	153.9 Å²	153.9	82%	0.822	77%	0.769	S	S	*	*			trans	-62.2	84.6	158.2	-88.4	-177.5	172.3	178.5	0	107.4	F335	F335-K337 PolarHBondContact O-N 2.95Å
338	R	28.3	Very low	26.1	Very low	240 Å²	240	155 Å²	155	91%	0.906	77%	0.774	S	S	*	*			trans	-156.7	122.4	157.3	-108.3	172.2	-166.7	-164.6	3	108.2	N336	N336-R338 PolarHBondContact O-N 3.38Å
339	G	26.9	Very low	25.8	Very low	66 Å²	66	152.7 Å²	152.7	68%	0.68	76%	0.763	S	S	*	*			trans	-63.3	144.1	-162.8	0	0	0	0	0	114.5
340	N	27.8	Very low	25.6	Very low	164 Å²	164	156.2 Å²	156.2	88%	0.877	79%	0.786	S	S	*	*				-161.7	95.1	126.5	-127.4	-6.7	0	0	0	107.5	N342	N340-N342 PolarHBondContact O-N 2.93Å
341	Y	25.9	Very low	25.4	Very low	205 Å²	205	156.2 Å²	156.2	80%	0.804	78%	0.782	S	S	*	*			trans	-65.6	121.8	161.4	-58.8	-85.6	0	0	0	105.7
342	N	26.7	Very low	25.3	Very low	161 Å²	161	151.3 Å²	151.3	86%	0.861	77%	0.77	S	S	*	*			trans	154	46.1	154.5	-73.3	-15.9	0	0	0	114.3	N340	N340-N342 PolarHBondContact O-N 2.93Å
343	S	25.2	Very low	25.4	Very low	91 Å²	91	153 Å²	153	64%	0.636	77%	0.77	S	S	*	*			trans	-139.4	97.3	155.5	-163.5	0	0	0	0	111.8	A345	S343-A345 PolarHBondContact O-N 3.3Å
344	P	25.4	Very low	25.5	Very low	139 Å²	139	146.4 Å²	146.4	90%	0.903	76%	0.756	S	S	*	*			trans	-76.1	12.3	175.1	-13	29.2	0	0	0	114.6
345	A	24.5	Very low	25.5	Very low	76 Å²	76	141 Å²	141	63%	0.628	74%	0.743	S	S	*	*			trans	-116.9	-1.8	-158.9	0	0	0	0	0	118	S343 R347	S343-A345 PolarHBondContact O-N 3.3Å; A345-R347 VanDerWaalsContact C-N 3.27Å; A345-R347 PolarHBondContact O-N 3.22Å
346	T	25.1	Very low	25.9	Very low	121 Å²	121	136.6 Å²	136.6	74%	0.742	72%	0.721	S	S	*	*			trans	-89.4	71.9	173.9	47	0	0	0	0	111.2	V348	T346-V348 PolarHBondContact O-N 3.29Å
347	R	21.8	Very low	26.1	Very low	245 Å²	245	132.6 Å²	132.6	93%	0.925	71%	0.706	S	S	*	*			trans	-65	77	162.4	-164.7	-176.3	-165.6	-169.3	4.1	107.9	A345 S349	A345-R347 VanDerWaalsContact C-N 3.27Å; A345-R347 PolarHBondContact O-N 3.22Å; R347-S349 PolarHBondContact O-N 3.49Å
348	V	25	Very low	26.2	Very low	107 Å²	107	130.5 Å²	130.5	65%	0.648	70%	0.696	S	S	*	*			trans	-75.7	100.1	175.4	-172.3	0	0	0	0	107.3	T346 I352	T346-V348 PolarHBondContact O-N 3.29Å; V348-I352 HydrophobicContact CG1-CD1 4.11Å; V348-I352 HydrophobicContact CG1-CG1 4.39Å
349	S	22.3	Very low	26.2	Very low	68 Å²	68	124.7 Å²	124.7	48%	0.476	69%	0.693	S	S	.	*			trans	-44.1	157.7	166.2	-156.9	0	0	0	0	111	R347 Q351	R347-S349 PolarHBondContact O-N 3.49Å; S349-Q351 PolarHBondContact O-N 3.42Å
350	P	25.1	Very low	26.2	Very low	135 Å²	135	126.1 Å²	126.1	88%	0.877	69%	0.692	S	S	*	*	S	Bend	trans	-63.5	13.7	-178.7	-16.7	30.4	0	0	0	115.4	I352	P350-I352 PolarHBondContact O-N 3.39Å
351	Q	25.9	Very low	26.3	Very low	157 Å²	157	123.5 Å²	123.5	73%	0.734	68%	0.684	S	S	*	*			trans	-89.7	76.2	-178	-63.7	-175.1	-17.7	0	0	110.7	S349	S349-Q351 PolarHBondContact O-N 3.42Å
352	I	25.3	Very low	26.5	Very low	118 Å²	118	119.6 Å²	119.6	61%	0.605	68%	0.677	S	S	*	*			trans	-133.2	72.7	151.3	-52.3	-179.6	0	0	0	106.9	V348 P350 T354	V348-I352 HydrophobicContact CG1-CD1 4.11Å; V348-I352 HydrophobicContact CG1-CG1 4.39Å; P350-I352 PolarHBondContact O-N 3.39Å; I352-T354 WeakPolarHBondContact CG2-OG1 3.49Å; I352-T354 PolarHBondContact O-N 3.25Å
353	I	26.2	Very low	26.9	Very low	127 Å²	127	120.1 Å²	120.1	65%	0.651	67%	0.674	S	S	*	*			trans	-65.1	90.1	153.7	-56.1	171.4	0	0	0	104	I355	I353-I355 VanDerWaalsContact C-N 3.26Å; I353-I355 HydrophobicContact CB-CG1 4.34Å; I353-I355 HydrophobicContact CG2-CD1 4.47Å; I353-I355 HydrophobicContact CG2-CG1 3.51Å; I353-I355 PolarHBondContact O-N 2.87Å
354	T	26.6	Very low	27.2	Very low	93 Å²	93	123.5 Å²	123.5	57%	0.571	69%	0.685	S	S	*	*			trans	-72	99	162.6	-41.5	0	0	0	0	104.8	I352 W356	I352-T354 WeakPolarHBondContact CG2-OG1 3.49Å; I352-T354 PolarHBondContact O-N 3.25Å; T354-W356 PolarHBondContact O-N 3.29Å
355	I	25.5	Very low	27.9	Very low	116 Å²	116	119.1 Å²	119.1	60%	0.595	66%	0.658	S	S	*	*			trans	-68	113.7	-178.7	-66.1	166.9	0	0	0	107.2	I353 S357	I353-I355 VanDerWaalsContact C-N 3.26Å; I353-I355 HydrophobicContact CB-CG1 4.34Å; I353-I355 HydrophobicContact CG2-CD1 4.47Å; I353-I355 HydrophobicContact CG2-CG1 3.51Å; I353-I355 PolarHBondContact O-N 2.87Å; I355-S357 PolarHBondContact O-N 2.79Å; I355-S357 VanDerWaalsContact O-N 3.14Å
356	W	33	Very low	28.8	Very low	90 Å²	90	119.4 Å²	119.4	34%	0.341	66%	0.655	S	S	.	*			trans	-81.1	23.4	170.8	-68.2	62.3	0	0	0	112	T354 K372 L373	T354-W356 PolarHBondContact O-N 3.29Å; W356-K372 HydrophobicContact CH2-CB 3.51Å; W356-K372 HydrophobicContact CH2-CD 3.18Å; W356-K372 HydrophobicContact CH2-CG 3.9Å; W356-K372 HydrophobicContact CZ2-CD 4.3Å; W356-K372 HydrophobicContact CZ3-CB 3.41Å; W356-K372 VanDerWaalsContact CZ3-CB 3.41Å; W356-K372 HydrophobicContact CZ3-CD 3.56Å; W356-K372 HydrophobicContact CZ3-CG 4.12Å; W356-L373 HydrophobicContact CE3-CD2 4.26Å
357	S	30.1	Very low	29.9	Very low	77 Å²	77	117.3 Å²	117.3	54%	0.538	65%	0.65	S	S	.	*	S	Bend	trans	-101.7	115.7	177.7	-169.6	0	0	0	0	109	I355	I355-S357 PolarHBondContact O-N 2.79Å; I355-S357 VanDerWaalsContact O-N 3.14Å
358	K	27.9	Very low	31.5	Very low	144 Å²	144	107.6 Å²	107.6	63%	0.626	62%	0.62	S	S	*	*	S	Bend	trans	45.7	93.3	149.1	-63.9	177.9	176	173.8	0	116.3
359	S	28.2	Very low	33.1	Very low	118 Å²	118	105.1 Å²	105.1	83%	0.825	60%	0.603	S	S	*	*			trans	151.3	82.4	133.9	65.6	0	0	0	0	112.2
360	S	26.8	Very low	35.2	Very low	96 Å²	96	103.4 Å²	103.4	67%	0.671	59%	0.59	S	S	*	*			trans	-142.9	106.7	150.2	-152.9	0	0	0	0	108.6	N362	S360-N362 PolarHBondContact O-N 3.38Å
361	P	29.9	Very low	37.2	Very low	109 Å²	109	97.2 Å²	97.2	71%	0.708	55%	0.55	S	S	*	*			trans	-75.8	27.7	-175.7	30.6	-32.5	0	0	0	113.5	H363	P361-H363 PolarHBondContact O-CD2 3.11Å; P361-H363 PolarHBondContact O-N 3.08Å; P361-H363 VanDerWaalsContact O-N 3.11Å
362	N	31.3	Very low	39.2	Very low	124 Å²	124	93.4 Å²	93.4	66%	0.663	53%	0.531	S	S	*	.			trans	-79.5	99.3	172.4	-81.2	-9.7	0	0	0	109.2	S360 N364 S365	S360-N362 PolarHBondContact O-N 3.38Å; N362-N364 PolarHBondContact O-N 3.1Å; N362-S365 PolarHBondContact O-N 3.1Å
363	H	33.1	Very low	41.4	Very low	171 Å²	171	88.8 Å²	88.8	79%	0.792	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	11.2	-174.8	-76	-76.6	0	0	0	117.7	P361	P361-H363 PolarHBondContact O-CD2 3.11Å; P361-H363 PolarHBondContact O-N 3.08Å; P361-H363 VanDerWaalsContact O-N 3.11Å
364	N	32.6	Very low	44.1	Very low	162 Å²	162	83.1 Å²	83.1	87%	0.866	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-3.8	178.3	-63.1	-9.7	0	0	0	113.9	N362	N362-N364 PolarHBondContact O-N 3.1Å
365	S	40.2	Very low	46.8	Very low	48 Å²	48	78.7 Å²	78.7	34%	0.336	45%	0.451	S	S	.	.	S	Bend	trans	-90.7	-17.8	-178.2	-170.2	0	0	0	0	114.5	N362 A367 S368 D369	N362-S365 PolarHBondContact O-N 3.1Å; S365-A367 PolarHBondContact O-N 3.43Å; S365-S368 PolarHBondContact O-N 3.28Å; S365-S368 VanDerWaalsContact O-N 3.1Å; S365-S368 PolarHBondContact O-OG 3.09Å; S365-D369 WeakPolarHBondContact CB-OD2 3.48Å; S365-D369 PolarHBondContact O-N 3.4Å; S365-D369 PolarHBondContact OG-OD2 3.3Å
366	S	44.2	Very low	49.5	Very low	82 Å²	82	73.2 Å²	73.2	57%	0.573	42%	0.423	S	S	*	.	H	α-helix	trans	-59.5	-42.9	-165.8	58.2	0	0	0	0	113.7	S368 D369 V370	S366-S368 VanDerWaalsContact C-N 3.34Å; S366-S368 PolarHBondContact O-N 2.8Å; S366-D369 PolarHBondContact O-N 3.02Å; S366-V370 WeakPolarHBondContact O-CB 3.47Å; S366-V370 WeakPolarHBondContact O-CG2 3.41Å; S366-V370 PolarHBondContact O-N 3.04Å
367	A	48	Very low	52	Low	76 Å²	76	68.9 Å²	68.9	63%	0.628	41%	0.407	S	S	*	.	H	α-helix	trans	-63.3	-39.8	179.4	0	0	0	0	0	112.1	S365 G371	S365-A367 PolarHBondContact O-N 3.43Å; A367-G371 PolarHBondContact O-N 3.07Å
368	S	54	Low	54.8	Low	42 Å²	42	65.2 Å²	65.2	29%	0.294	38%	0.381	S	S	.	.	H	α-helix	trans	-69.6	-37.5	178.4	99.9	0	0	0	0	111.6	S365 S366 K372	S365-S368 PolarHBondContact O-N 3.28Å; S365-S368 VanDerWaalsContact O-N 3.1Å; S365-S368 PolarHBondContact O-OG 3.09Å; S366-S368 VanDerWaalsContact C-N 3.34Å; S366-S368 PolarHBondContact O-N 2.8Å; S368-K372 WeakPolarHBondContact O-CB 3.33Å; S368-K372 WeakPolarHBondContact O-CD 3.22Å; S368-K372 WeakPolarHBondContact O-CG 3.28Å; S368-K372 PolarHBondContact O-N 3.46Å; S368-K372 VanDerWaalsContact O-N 3.14Å; S368-K372 PolarHBondContact OG-NZ 3Å
369	D	60	Low	57.7	Low	55 Å²	55	58.7 Å²	58.7	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-70.4	-45.1	179.6	-65.1	-32.2	0	0	0	110.1	S365 S366 G371 K372 L373	S365-D369 WeakPolarHBondContact CB-OD2 3.48Å; S365-D369 PolarHBondContact O-N 3.4Å; S365-D369 PolarHBondContact OG-OD2 3.3Å; S366-D369 PolarHBondContact O-N 3.02Å; D369-G371 PolarHBondContact O-N 3.5Å; D369-K372 PolarHBondContact O-N 2.99Å; D369-L373 WeakPolarHBondContact O-CB 3.45Å; D369-L373 WeakPolarHBondContact O-CD1 3.35Å; D369-L373 WeakPolarHBondContact O-CG 3.46Å; D369-L373 PolarHBondContact O-N 3.26Å
370	V	65.3	Low	60.6	Low	32 Å²	32	53.8 Å²	53.8	19%	0.194	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176.4	176.3	0	0	0	0	111.3	S366 K372 L373 K374 L746	S366-V370 WeakPolarHBondContact O-CB 3.47Å; S366-V370 WeakPolarHBondContact O-CG2 3.41Å; S366-V370 PolarHBondContact O-N 3.04Å; V370-K372 VanDerWaalsContact C-N 3.32Å; V370-K372 PolarHBondContact O-N 2.96Å; V370-L373 PolarHBondContact O-N 3.35Å; V370-K374 HydrophobicContact CG1-CG 4.43Å; V370-K374 WeakPolarHBondContact O-CG 3.31Å; V370-K374 PolarHBondContact O-N 2.88Å; V370-L746 HydrophobicContact CG1-CD2 3.7Å
371	G	67.4	Low	63.8	Low	5 Å²	5	49.3 Å²	49.3	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-42.9	179.2	0	0	0	0	0	113	A367 D369 K374 T375 S415	A367-G371 PolarHBondContact O-N 3.07Å; D369-G371 PolarHBondContact O-N 3.5Å; G371-K374 PolarHBondContact O-N 3.47Å; G371-T375 PolarHBondContact O-N 3Å; G371-T375 PolarHBondContact O-OG1 3.23Å; G371-T375 VanDerWaalsContact O-OG1 3.06Å; G371-S415 PolarHBondContact O-OG 3.37Å
372	K	68.1	Low	66.9	Low	77 Å²	77	44.1 Å²	44.1	34%	0.335	25%	0.253	S	S	.	.	H	α-helix	trans	-69	-37.7	176.7	-70.9	174.4	-146.8	165.4	0	112.8	W356 S368 D369 V370 T375 G376	W356-K372 HydrophobicContact CH2-CB 3.51Å; W356-K372 HydrophobicContact CH2-CD 3.18Å; W356-K372 HydrophobicContact CH2-CG 3.9Å; W356-K372 HydrophobicContact CZ2-CD 4.3Å; W356-K372 HydrophobicContact CZ3-CB 3.41Å; W356-K372 VanDerWaalsContact CZ3-CB 3.41Å; W356-K372 HydrophobicContact CZ3-CD 3.56Å; W356-K372 HydrophobicContact CZ3-CG 4.12Å; S368-K372 WeakPolarHBondContact O-CB 3.33Å; S368-K372 WeakPolarHBondContact O-CD 3.22Å; S368-K372 WeakPolarHBondContact O-CG 3.28Å; S368-K372 PolarHBondContact O-N 3.46Å; S368-K372 VanDerWaalsContact O-N 3.14Å; S368-K372 PolarHBondContact OG-NZ 3Å; D369-K372 PolarHBondContact O-N 2.99Å; V370-K372 VanDerWaalsContact C-N 3.32Å; V370-K372 PolarHBondContact O-N 2.96Å; K372-T375 WeakPolarHBondContact O-CB 3.44Å; K372-T375 PolarHBondContact O-N 3.2Å; K372-G376 PolarHBondContact O-N 3.3Å
373	L	71.2	Confident	69.9	Low	21 Å²	21	39.9 Å²	39.9	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-42.1	175.8	-67.1	162.3	0	0	0	111.1	F321 W356 D369 V370 G376 C377	F321-L373 HydrophobicContact CB-CB 4.45Å; F321-L373 HydrophobicContact CB-CD2 3.5Å; F321-L373 HydrophobicContact CB-CG 4.34Å; F321-L373 HydrophobicContact CD1-CB 3.93Å; F321-L373 HydrophobicContact CD2-CB 4.46Å; F321-L373 HydrophobicContact CD2-CD1 3.58Å; F321-L373 HydrophobicContact CD2-CD2 4.1Å; F321-L373 HydrophobicContact CD2-CG 4.25Å; F321-L373 HydrophobicContact CE1-CB 4.27Å; F321-L373 HydrophobicContact CE2-CD1 3.72Å; F321-L373 HydrophobicContact CG-CB 4.04Å; F321-L373 HydrophobicContact CG-CD1 3.98Å; F321-L373 HydrophobicContact CG-CD2 3.82Å; F321-L373 HydrophobicContact CG-CG 4.14Å; F321-L373 HydrophobicContact CZ-CD1 4.3Å; W356-L373 HydrophobicContact CE3-CD2 4.26Å; D369-L373 WeakPolarHBondContact O-CB 3.45Å; D369-L373 WeakPolarHBondContact O-CD1 3.35Å; D369-L373 WeakPolarHBondContact O-CG 3.46Å; D369-L373 PolarHBondContact O-N 3.26Å; V370-L373 PolarHBondContact O-N 3.35Å; L373-G376 PolarHBondContact O-N 2.75Å; L373-C377 PolarHBondContact O-N 3.28Å; L373-C377 PolarHBondContact O-SG 3.42Å; L373-C377 VanDerWaalsContact O-SG 3.36Å
374	K	82.4	Confident	72.8	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-38.1	174.2	-58.9	-42.9	178.8	-165.1	0	112.1	M314 V370 G371 G376 C377 I378 L412 S415	M314-K374 HydrophobicContact CE-CB 4.47Å; M314-K374 VanDerWaalsContact O-CD 3.23Å; M314-K374 WeakPolarHBondContact O-CD 3.37Å; M314-K374 WeakPolarHBondContact O-CE 3.49Å; M314-K374 PolarHBondContact O-NZ 3.42Å; V370-K374 HydrophobicContact CG1-CG 4.43Å; V370-K374 WeakPolarHBondContact O-CG 3.31Å; V370-K374 PolarHBondContact O-N 2.88Å; G371-K374 PolarHBondContact O-N 3.47Å; K374-G376 VanDerWaalsContact C-N 3.27Å; K374-G376 PolarHBondContact O-N 3.06Å; K374-C377 PolarHBondContact O-N 2.9Å; K374-I378 WeakPolarHBondContact O-CG1 3.35Å; K374-I378 PolarHBondContact O-N 3.49Å; K374-L412 HydrophobicContact CB-CD1 4.34Å; K374-L412 HydrophobicContact CG-CD1 4.4Å; K374-S415 WeakPolarHBondContact CB-OG 3.33Å
375	T	84.1	Confident	75.8	Confident	1 Å²	1	24 Å²	24	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-57.3	-42.5	171.1	-59.8	0	0	0	0	111.1	G371 K372 I378 I379 S415 V418 L419 Y423	G371-T375 PolarHBondContact O-N 3Å; G371-T375 PolarHBondContact O-OG1 3.23Å; G371-T375 VanDerWaalsContact O-OG1 3.06Å; K372-T375 WeakPolarHBondContact O-CB 3.44Å; K372-T375 PolarHBondContact O-N 3.2Å; T375-I378 PolarHBondContact O-N 3.29Å; T375-I379 HydrophobicContact CG2-CD1 3.9Å; T375-I379 HydrophobicContact CG2-CG1 4.45Å; T375-I379 WeakPolarHBondContact O-CG1 3.26Å; T375-I379 PolarHBondContact O-N 3.46Å; T375-S415 WeakPolarHBondContact OG1-CA 3.48Å; T375-S415 WeakPolarHBondContact OG1-CB 3.46Å; T375-S415 PolarHBondContact OG1-O 2.87Å; T375-S415 VanDerWaalsContact OG1-O 3.05Å; T375-V418 HydrophobicContact CG2-CB 4.43Å; T375-V418 HydrophobicContact CG2-CG1 4.01Å; T375-L419 HydrophobicContact CG2-CB 4.21Å; T375-Y423 HydrophobicContact CG2-CD2 4.19Å; T375-Y423 HydrophobicContact CG2-CE2 4.27Å
376	G	81.7	Confident	78.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.6	-47.5	173.4	0	0	0	0	0	113.5	K372 L373 K374 I378 I379 T380	K372-G376 PolarHBondContact O-N 3.3Å; L373-G376 PolarHBondContact O-N 2.75Å; K374-G376 VanDerWaalsContact C-N 3.27Å; K374-G376 PolarHBondContact O-N 3.06Å; G376-I378 VanDerWaalsContact C-N 3.32Å; G376-I378 PolarHBondContact O-N 2.7Å; G376-I379 PolarHBondContact O-N 3.4Å; G376-T380 PolarHBondContact O-N 3.45Å; G376-T380 PolarHBondContact O-OG1 3.4Å
377	C	85	Confident	80.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-42.1	175.6	-59.4	0	0	0	0	112.2	W257 M314 L373 K374 T380 W381	W257-C377 HydrophobicContact CH2-CB 3.67Å; W257-C377 HydrophobicContact CZ2-CB 3.92Å; W257-C377 WeakPolarHBondContact CZ2-SG 3.16Å; M314-C377 HydrophobicContact CG-CB 4.08Å; L373-C377 PolarHBondContact O-N 3.28Å; L373-C377 PolarHBondContact O-SG 3.42Å; L373-C377 VanDerWaalsContact O-SG 3.36Å; K374-C377 PolarHBondContact O-N 2.9Å; C377-T380 VanDerWaalsContact C-OG1 3.24Å; C377-T380 VanDerWaalsContact CA-OG1 3.31Å; C377-T380 WeakPolarHBondContact CA-OG1 3.5Å; C377-T380 PolarHBondContact O-OG1 3.44Å; C377-W381 PolarHBondContact O-N 3.27Å; C377-W381 VanDerWaalsContact O-N 3.16Å
378	I	89.1	Confident	83.2	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-47.6	178.2	-65.1	167.3	0	0	0	110.5	M314 K374 T375 G376 T380 W381 I382 L404 W416 L419	M314-I378 HydrophobicContact CE-CD1 3.8Å; M314-I378 HydrophobicContact CE-CG1 3.4Å; M314-I378 HydrophobicContact SD-CG1 4.11Å; K374-I378 WeakPolarHBondContact O-CG1 3.35Å; K374-I378 PolarHBondContact O-N 3.49Å; T375-I378 PolarHBondContact O-N 3.29Å; G376-I378 VanDerWaalsContact C-N 3.32Å; G376-I378 PolarHBondContact O-N 2.7Å; I378-T380 VanDerWaalsContact C-N 3.35Å; I378-T380 PolarHBondContact O-N 2.93Å; I378-W381 PolarHBondContact O-N 3.06Å; I378-I382 HydrophobicContact CG2-CD1 3.66Å; I378-I382 HydrophobicContact CG2-CG1 4.32Å; I378-I382 VanDerWaalsContact O-CG1 3.31Å; I378-I382 WeakPolarHBondContact O-CG1 3.32Å; I378-I382 PolarHBondContact O-N 3.02Å; I378-L404 HydrophobicContact CG2-CD2 4.39Å; I378-W416 HydrophobicContact CD1-CD2 4.37Å; I378-W416 HydrophobicContact CD1-CZ2 4.3Å; I378-W416 HydrophobicContact CG2-CH2 3.84Å; I378-W416 HydrophobicContact CG2-CZ2 4.27Å; I378-W416 HydrophobicContact CG2-CZ3 4.01Å; I378-L419 HydrophobicContact CG2-CD2 3.75Å
379	I	89.7	Confident	85.2	Confident	7 Å²	7	22.5 Å²	22.5	4%	0.036	10%	0.103	C	C	.	.	H	α-helix	trans	-56.5	-49.3	179.4	-71.8	166.4	0	0	0	110.9	T375 G376 W381 I382 D383 L419 Y423	T375-I379 HydrophobicContact CG2-CD1 3.9Å; T375-I379 HydrophobicContact CG2-CG1 4.45Å; T375-I379 WeakPolarHBondContact O-CG1 3.26Å; T375-I379 PolarHBondContact O-N 3.46Å; G376-I379 PolarHBondContact O-N 3.4Å; I379-W381 VanDerWaalsContact C-N 3.33Å; I379-W381 PolarHBondContact O-N 3.14Å; I379-I382 WeakPolarHBondContact O-CB 3.44Å; I379-I382 PolarHBondContact O-N 3.14Å; I379-I382 VanDerWaalsContact O-N 3.12Å; I379-D383 PolarHBondContact O-N 3.42Å; I379-L419 HydrophobicContact CD1-CD1 4.06Å; I379-L419 HydrophobicContact CG1-CD1 3.46Å; I379-L419 VanDerWaalsContact CG1-CD1 3.46Å; I379-Y423 HydrophobicContact CD1-CD1 3.73Å; I379-Y423 HydrophobicContact CD1-CD2 3.73Å; I379-Y423 HydrophobicContact CD1-CE1 3.97Å; I379-Y423 HydrophobicContact CD1-CE2 3.97Å; I379-Y423 HydrophobicContact CD1-CG 3.59Å
380	T	89.4	Confident	86.7	Confident	15 Å²	15	24.1 Å²	24.1	9%	0.092	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-39.8	-179.7	41.3	0	0	0	0	112.9	W257 L261 G376 C377 I378 D383 I384	W257-T380 HydrophobicContact CE3-CG2 3.93Å; W257-T380 HydrophobicContact CZ3-CG2 4.07Å; W257-T380 WeakPolarHBondContact CZ3-OG1 3.41Å; L261-T380 HydrophobicContact CD2-CG2 4.39Å; G376-T380 PolarHBondContact O-N 3.45Å; G376-T380 PolarHBondContact O-OG1 3.4Å; C377-T380 VanDerWaalsContact C-OG1 3.24Å; C377-T380 VanDerWaalsContact CA-OG1 3.31Å; C377-T380 WeakPolarHBondContact CA-OG1 3.5Å; C377-T380 PolarHBondContact O-OG1 3.44Å; I378-T380 VanDerWaalsContact C-N 3.35Å; I378-T380 PolarHBondContact O-N 2.93Å; T380-D383 PolarHBondContact O-N 3.4Å; T380-I384 VanDerWaalsContact O-CG1 3.31Å; T380-I384 WeakPolarHBondContact O-CG1 3.3Å; T380-I384 PolarHBondContact O-N 3.01Å
381	W	93.9	Very high	88	Confident	1 Å²	1	23.7 Å²	23.7	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-70.5	-33.5	175.5	-78.2	117.8	0	0	0	112.8	L256 W257 L306 L309 V310 S313 C377 I378 I379 D383 I384 A385 I400 L404	L256-W381 HydrophobicContact CD2-CH2 3.93Å; L256-W381 HydrophobicContact CD2-CZ2 3.42Å; L256-W381 VanDerWaalsContact CD2-CZ2 3.42Å; W257-W381 AromaticContact CH2-NE1 3.88Å; L306-W381 HydrophobicContact CD1-CH2 4.18Å; L306-W381 HydrophobicContact CD1-CZ3 4.08Å; L309-W381 HydrophobicContact CD2-CH2 4.08Å; L309-W381 HydrophobicContact CG-CH2 4.12Å; L309-W381 HydrophobicContact CG-CZ2 4.22Å; V310-W381 HydrophobicContact CB-CD2 4.4Å; V310-W381 HydrophobicContact CB-CZ2 4.31Å; V310-W381 HydrophobicContact CG1-CD2 4.23Å; V310-W381 HydrophobicContact CG1-CG 4.08Å; V310-W381 HydrophobicContact CG2-CD2 3.74Å; V310-W381 HydrophobicContact CG2-CE3 3.76Å; V310-W381 HydrophobicContact CG2-CG 4.41Å; V310-W381 HydrophobicContact CG2-CH2 3.83Å; V310-W381 HydrophobicContact CG2-CZ2 3.8Å; V310-W381 HydrophobicContact CG2-CZ3 3.81Å; S313-W381 PolarHBondContact OG-NE1 2.98Å; C377-W381 PolarHBondContact O-N 3.27Å; C377-W381 VanDerWaalsContact O-N 3.16Å; I378-W381 PolarHBondContact O-N 3.06Å; I379-W381 VanDerWaalsContact C-N 3.33Å; I379-W381 PolarHBondContact O-N 3.14Å; W381-D383 VanDerWaalsContact C-N 3.33Å; W381-I384 HydrophobicContact CD2-CD1 4.41Å; W381-I384 HydrophobicContact CE3-CB 4.37Å; W381-I384 HydrophobicContact CE3-CD1 3.83Å; W381-I384 HydrophobicContact CE3-CG2 4.37Å; W381-I384 HydrophobicContact CZ3-CD1 4.04Å; W381-I384 HydrophobicContact CZ3-CG2 4.44Å; W381-A385 WeakPolarHBondContact O-CB 3.37Å; W381-A385 PolarHBondContact O-N 3.09Å; W381-I400 HydrophobicContact CB-CG2 4.08Å; W381-I400 HydrophobicContact CE3-CD1 3.84Å; W381-I400 HydrophobicContact CE3-CG1 4.03Å; W381-I400 HydrophobicContact CE3-CG2 4.27Å; W381-I400 HydrophobicContact CZ3-CD1 3.99Å; W381-I400 HydrophobicContact CZ3-CG1 4.2Å; W381-L404 HydrophobicContact CB-CD1 4.38Å; W381-L404 HydrophobicContact CB-CD2 4.38Å
382	I	94.6	Very high	89.3	Confident	0 Å²	0	26 Å²	26	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-42.1	171.8	-70	166.1	0	0	0	110.4	I378 I379 A385 Y386 L404 L419 H426 K429 F430	I378-I382 HydrophobicContact CG2-CD1 3.66Å; I378-I382 HydrophobicContact CG2-CG1 4.32Å; I378-I382 VanDerWaalsContact O-CG1 3.31Å; I378-I382 WeakPolarHBondContact O-CG1 3.32Å; I378-I382 PolarHBondContact O-N 3.02Å; I379-I382 WeakPolarHBondContact O-CB 3.44Å; I379-I382 PolarHBondContact O-N 3.14Å; I379-I382 VanDerWaalsContact O-N 3.12Å; I382-A385 PolarHBondContact O-N 3.2Å; I382-Y386 WeakPolarHBondContact O-CB 3.41Å; I382-Y386 PolarHBondContact O-N 3.17Å; I382-L404 HydrophobicContact CG1-CD1 4.02Å; I382-L419 HydrophobicContact CD1-CD2 3.81Å; I382-H426 HydrophobicContact CG2-CB 4.41Å; I382-K429 HydrophobicContact CG2-CB 3.86Å; I382-F430 HydrophobicContact CD1-CB 3.77Å; I382-F430 HydrophobicContact CD1-CG 4.38Å; I382-F430 HydrophobicContact CG1-CB 4.02Å; I382-F430 HydrophobicContact CG1-CD2 4.33Å; I382-F430 HydrophobicContact CG2-CB 4.43Å
383	D	93	Very high	90.6	Very high	35 Å²	35	22.4 Å²	22.4	19%	0.187	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-43.3	178.9	-71.6	-23.8	0	0	0	111.8	L261 I379 T380 W381 A385 Y386 R387 H426	L261-D383 HydrophobicContact CD1-CB 4.07Å; I379-D383 PolarHBondContact O-N 3.42Å; T380-D383 PolarHBondContact O-N 3.4Å; W381-D383 VanDerWaalsContact C-N 3.33Å; D383-A385 VanDerWaalsContact C-N 3.33Å; D383-A385 PolarHBondContact O-N 2.88Å; D383-Y386 WeakPolarHBondContact O-CB 3.46Å; D383-Y386 PolarHBondContact O-N 3.11Å; D383-R387 WeakPolarHBondContact O-CG 3.17Å; D383-R387 PolarHBondContact O-N 3.24Å; D383-H426 IonicContact OD1-CE1 3.27Å; D383-H426 PolarHBondContact OD1-CE1 3.21Å; D383-H426 IonicContact OD1-ND1 2.65Å; D383-H426 PolarHBondContact OD1-ND1 2.85Å; D383-H426 IonicContact OD2-CE1 3.4Å; D383-H426 PolarHBondContact OD2-CE1 3.34Å; D383-H426 VanDerWaalsContact OD2-CE1 3.25Å; D383-H426 IonicContact OD2-ND1 3.14Å
384	I	94.3	Very high	91.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.4	-46.2	171.7	-67.3	165	0	0	0	110.3	L261 V264 A265 L268 T380 W381 Y386 R387 L388 I400	L261-I384 HydrophobicContact CB-CG1 4.22Å; L261-I384 HydrophobicContact CD2-CD1 4.02Å; L261-I384 HydrophobicContact CD2-CG1 3.98Å; V264-I384 HydrophobicContact CG1-CD1 3.98Å; V264-I384 HydrophobicContact CG1-CG1 4.43Å; V264-I384 HydrophobicContact CG1-CG2 4.4Å; A265-I384 HydrophobicContact CB-CG2 4.33Å; L268-I384 HydrophobicContact CD1-CG2 4.27Å; T380-I384 VanDerWaalsContact O-CG1 3.31Å; T380-I384 WeakPolarHBondContact O-CG1 3.3Å; T380-I384 PolarHBondContact O-N 3.01Å; W381-I384 HydrophobicContact CD2-CD1 4.41Å; W381-I384 HydrophobicContact CE3-CB 4.37Å; W381-I384 HydrophobicContact CE3-CD1 3.83Å; W381-I384 HydrophobicContact CE3-CG2 4.37Å; W381-I384 HydrophobicContact CZ3-CD1 4.04Å; W381-I384 HydrophobicContact CZ3-CG2 4.44Å; I384-Y386 VanDerWaalsContact C-N 3.31Å; I384-Y386 PolarHBondContact O-N 3.29Å; I384-R387 PolarHBondContact O-N 2.95Å; I384-L388 HydrophobicContact CG2-CD1 3.92Å; I384-L388 HydrophobicContact CG2-CG 4.39Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 2.67Å; I384-I400 HydrophobicContact CG2-CD1 3.93Å
385	A	97	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-38.9	177.1	0	0	0	0	0	112.1	W381 I382 D383 R387 L388 R389 L397 I400 I401 L433	W381-A385 WeakPolarHBondContact O-CB 3.37Å; W381-A385 PolarHBondContact O-N 3.09Å; I382-A385 PolarHBondContact O-N 3.2Å; D383-A385 VanDerWaalsContact C-N 3.33Å; D383-A385 PolarHBondContact O-N 2.88Å; A385-R387 VanDerWaalsContact C-N 3.35Å; A385-R387 PolarHBondContact O-N 2.93Å; A385-L388 PolarHBondContact O-N 3.1Å; A385-R389 PolarHBondContact O-N 3.35Å; A385-L397 HydrophobicContact CB-CD1 3.81Å; A385-L397 WeakPolarHBondContact O-CD1 3.26Å; A385-I400 HydrophobicContact CB-CB 4.49Å; A385-I400 HydrophobicContact CB-CG2 4.06Å; A385-I401 HydrophobicContact CB-CD1 4.48Å; A385-L433 HydrophobicContact CB-CD1 3.84Å
386	Y	95.6	Very high	93.2	Very high	71 Å²	71	22 Å²	22	28%	0.278	10%	0.095	S	C	.	.	H	α-helix	trans	-63.4	-41.6	175.7	-171.8	-102.5	0	0	0	111.5	I382 D383 I384 R389 Q390 K429 L433	I382-Y386 WeakPolarHBondContact O-CB 3.41Å; I382-Y386 PolarHBondContact O-N 3.17Å; D383-Y386 WeakPolarHBondContact O-CB 3.46Å; D383-Y386 PolarHBondContact O-N 3.11Å; I384-Y386 VanDerWaalsContact C-N 3.31Å; I384-Y386 PolarHBondContact O-N 3.29Å; Y386-R389 WeakPolarHBondContact O-CB 3.14Å; Y386-R389 PolarHBondContact O-N 2.89Å; Y386-Q390 PolarHBondContact O-N 2.84Å; Y386-K429 HydrophobicContact CD2-CB 4.43Å; Y386-K429 HydrophobicContact CD2-CD 4.27Å; Y386-K429 HydrophobicContact CD2-CG 4.13Å; Y386-K429 HydrophobicContact CE2-CG 4.35Å; Y386-K429 HydrophobicContact CG-CD 4.36Å; Y386-L433 HydrophobicContact CD2-CD2 4.47Å
387	R	95	Very high	94	Very high	69 Å²	69	22 Å²	22	26%	0.26	10%	0.095	S	C	.	.	H	α-helix	trans	-65.8	-41.1	172.5	-67.4	-54.7	-56.4	-127.3	1.3	112.8	D262 A265 D383 I384 A385 R389 Q390 T391	D262-R387 WeakPolarHBondContact OD1-CD 3.45Å; D262-R387 WeakPolarHBondContact OD1-CG 3.25Å; D262-R387 IonicContact OD1-CZ 3.15Å; D262-R387 IonicContact OD1-NE 3.87Å; D262-R387 PolarHBondContact OD1-NE 3.24Å; D262-R387 IonicContact OD1-NH1 3.87Å; D262-R387 PolarHBondContact OD1-NH1 3.31Å; D262-R387 IonicContact OD1-NH2 2.8Å; D262-R387 IonicContact OD2-CZ 2.88Å; D262-R387 IonicContact OD2-NH1 2.94Å; D262-R387 PolarHBondContact OD2-NH1 3.35Å; D262-R387 IonicContact OD2-NH2 3.75Å; A265-R387 HydrophobicContact CB-CB 3.63Å; D383-R387 WeakPolarHBondContact O-CG 3.17Å; D383-R387 PolarHBondContact O-N 3.24Å; I384-R387 PolarHBondContact O-N 2.95Å; A385-R387 VanDerWaalsContact C-N 3.35Å; A385-R387 PolarHBondContact O-N 2.93Å; R387-R389 PolarHBondContact O-N 3.37Å; R387-Q390 VanDerWaalsContact CD-OE1 3.25Å; R387-Q390 CarbonylContact O-C 3.28Å; R387-Q390 WeakPolarHBondContact O-CA 3.46Å; R387-Q390 WeakPolarHBondContact O-CB 3.48Å; R387-Q390 PolarHBondContact O-N 2.88Å; R387-T391 PolarHBondContact O-N 2.96Å
388	L	96.7	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-31.8	174.9	-72.3	165.9	0	0	0	112.5	A265 L268 I384 A385 T391 R392 N393 A396 L397 I400	A265-L388 HydrophobicContact CB-CD2 4.08Å; A265-L388 HydrophobicContact CB-CG 4Å; A265-L388 WeakPolarHBondContact O-CD2 3.47Å; L268-L388 HydrophobicContact CB-CD2 4.18Å; L268-L388 HydrophobicContact CD1-CD1 4.27Å; I384-L388 HydrophobicContact CG2-CD1 3.92Å; I384-L388 HydrophobicContact CG2-CG 4.39Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 2.67Å; A385-L388 PolarHBondContact O-N 3.1Å; L388-T391 WeakPolarHBondContact CA-OG1 3.45Å; L388-T391 CarbonylContact O-C 3.56Å; L388-T391 PolarHBondContact O-OG1 2.9Å; L388-R392 WeakPolarHBondContact O-CA 3.39Å; L388-R392 PolarHBondContact O-N 3.11Å; L388-N393 HydrophobicContact CD2-CB 3.99Å; L388-N393 PolarHBondContact O-N 2.95Å; L388-A396 HydrophobicContact CD1-CB 3.73Å; L388-A396 HydrophobicContact CD2-CB 3.95Å; L388-A396 HydrophobicContact CG-CB 4.43Å; L388-L397 HydrophobicContact CB-CB 4.31Å; L388-I400 HydrophobicContact CD1-CD1 3.4Å
389	R	94.8	Very high	95	Very high	77 Å²	77	22 Å²	22	29%	0.291	10%	0.096	S	C	.	.	H	α-helix	trans	-67.8	-35.3	171.1	178.6	-108.5	170.8	154.6	-8.5	112.1	A385 Y386 R387 R392 L397 Y432 L433	A385-R389 PolarHBondContact O-N 3.35Å; Y386-R389 WeakPolarHBondContact O-CB 3.14Å; Y386-R389 PolarHBondContact O-N 2.89Å; R387-R389 PolarHBondContact O-N 3.37Å; R389-R392 PolarHBondContact O-N 3.49Å; R389-L397 HydrophobicContact CB-CD2 3.99Å; R389-L397 HydrophobicContact CG-CD2 4.45Å; R389-Y432 PolarHBondContact NH2-OH 3.42Å; R389-L433 HydrophobicContact CB-CD2 3.53Å; R389-L433 HydrophobicContact CG-CD2 3.78Å
390	Q	92.3	Very high	95.4	Very high	89 Å²	89	21.7 Å²	21.7	42%	0.416	9%	0.094	S	C	.	.	H	α-helix	trans	-71	-40.2	173.9	-65.6	176.2	-13.1	0	0	112.2	Y386 R387 R392	Y386-Q390 PolarHBondContact O-N 2.84Å; R387-Q390 VanDerWaalsContact CD-OE1 3.25Å; R387-Q390 CarbonylContact O-C 3.28Å; R387-Q390 WeakPolarHBondContact O-CA 3.46Å; R387-Q390 WeakPolarHBondContact O-CB 3.48Å; R387-Q390 PolarHBondContact O-N 2.88Å; Q390-R392 PolarHBondContact O-N 3.25Å
391	T	92.1	Very high	95.7	Very high	23 Å²	23	21 Å²	21	14%	0.141	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.2	172.2	66.7	0	0	0	0	112.8	T269 R387 L388 N393 Y716	T269-T391 PolarHBondContact OG1-OG1 3.05Å; T269-T391 VanDerWaalsContact OG1-OG1 3.09Å; R387-T391 PolarHBondContact O-N 2.96Å; L388-T391 WeakPolarHBondContact CA-OG1 3.45Å; L388-T391 CarbonylContact O-C 3.56Å; L388-T391 PolarHBondContact O-OG1 2.9Å; T391-N393 PolarHBondContact O-N 3.18Å; T391-Y716 WeakPolarHBondContact O-CE1 3.43Å; T391-Y716 PolarHBondContact O-OH 3.02Å
392	R	95.3	Very high	95.8	Very high	54 Å²	54	22 Å²	22	20%	0.204	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	31.7	177.7	-47.1	171.5	71.4	-164.6	5	113	L388 R389 Q390 Y394 C453 S506 V508 I509 Y716	L388-R392 WeakPolarHBondContact O-CA 3.39Å; L388-R392 PolarHBondContact O-N 3.11Å; R389-R392 PolarHBondContact O-N 3.49Å; Q390-R392 PolarHBondContact O-N 3.25Å; R392-Y394 HydrophobicContact CB-CE2 4.11Å; R392-Y394 WeakPolarHBondContact O-CD2 3.36Å; R392-Y394 PolarHBondContact O-N 3.14Å; R392-C453 PolarHBondContact NH2-SG 2.99Å; R392-S506 PolarHBondContact NH1-O 3.22Å; R392-V508 HydrophobicContact CB-CG2 4.38Å; R392-I509 PolarHBondContact O-N 3.28Å; R392-Y716 PolarHBondContact O-OH 3.39Å
393	N	96.1	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-86.6	89.1	167	-176.8	-3	0	0	0	109.9	T269 D272 L388 T391 S395 A396 L397 I509	T269-N393 WeakPolarHBondContact CA-ND2 3.37Å; T269-N393 HydrophobicContact CG2-CB 4.24Å; D272-N393 PolarHBondContact OD2-ND2 2.97Å; D272-N393 PolarHBondContact OD2-OD1 3.46Å; L388-N393 HydrophobicContact CD2-CB 3.99Å; L388-N393 PolarHBondContact O-N 2.95Å; T391-N393 PolarHBondContact O-N 3.18Å; N393-S395 VanDerWaalsContact C-N 3.33Å; N393-S395 PolarHBondContact OD1-N 3.47Å; N393-A396 VanDerWaalsContact ND2-CB 3.33Å; N393-A396 WeakPolarHBondContact ND2-CB 3.48Å; N393-A396 PolarHBondContact OD1-N 2.84Å; N393-A396 VanDerWaalsContact OD1-N 3.15Å; N393-L397 VanDerWaalsContact O-CB 3.23Å; N393-L397 WeakPolarHBondContact O-CB 3.28Å; N393-L397 PolarHBondContact O-N 3.19Å; N393-L397 VanDerWaalsContact O-N 3.13Å; N393-I509 HydrophobicContact CB-CB 4.44Å; N393-I509 HydrophobicContact CB-CD1 4.27Å
394	Y	97.3	Very high	96	Very high	15 Å²	15	20.3 Å²	20.3	6%	0.059	9%	0.086	C	C	.	.	H	α-helix	trans	-75.9	-20.5	-178.8	-62.2	-72.7	0	0	0	113.2	R392 L397 K398 V436 L446 L450 V508 I509	R392-Y394 HydrophobicContact CB-CE2 4.11Å; R392-Y394 WeakPolarHBondContact O-CD2 3.36Å; R392-Y394 PolarHBondContact O-N 3.14Å; Y394-L397 HydrophobicContact CD1-CD2 4.07Å; Y394-K398 WeakPolarHBondContact O-CB 3.38Å; Y394-K398 PolarHBondContact O-N 3.4Å; Y394-V436 HydrophobicContact CE1-CG1 4.38Å; Y394-L446 HydrophobicContact CD1-CD1 3.51Å; Y394-L446 HydrophobicContact CD2-CD1 4.13Å; Y394-L446 HydrophobicContact CE1-CD1 4.04Å; Y394-L446 HydrophobicContact CG-CD1 3.58Å; Y394-L450 HydrophobicContact CD2-CD2 3.94Å; Y394-L450 HydrophobicContact CE2-CD2 4.26Å; Y394-V508 HydrophobicContact CD2-CG1 4.09Å; Y394-V508 HydrophobicContact CE2-CG1 3.98Å; Y394-I509 WeakPolarHBondContact CB-O 3.4Å; Y394-I509 PolarHBondContact N-O 2.93Å
395	S	96.9	Very high	96	Very high	4 Å²	4	23 Å²	23	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-59	175	-171.9	0	0	0	0	110.3	Y303 N393 L397 K398 A399	Y303-S395 WeakPolarHBondContact CD2-O 3.45Å; Y303-S395 WeakPolarHBondContact CE2-O 3.39Å; N393-S395 VanDerWaalsContact C-N 3.33Å; N393-S395 PolarHBondContact OD1-N 3.47Å; S395-L397 PolarHBondContact O-N 2.92Å; S395-K398 PolarHBondContact O-N 2.9Å; S395-A399 PolarHBondContact O-N 3.39Å
396	A	97.9	Very high	95.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-40.7	178	0	0	0	0	0	112.8	D272 L306 L388 N393 K398 A399 I400	D272-A396 WeakPolarHBondContact OD2-CB 3.33Å; L306-A396 HydrophobicContact CD2-CB 3.5Å; L306-A396 VanDerWaalsContact CD2-CB 3.5Å; L388-A396 HydrophobicContact CD1-CB 3.73Å; L388-A396 HydrophobicContact CD2-CB 3.95Å; L388-A396 HydrophobicContact CG-CB 4.43Å; N393-A396 VanDerWaalsContact ND2-CB 3.33Å; N393-A396 WeakPolarHBondContact ND2-CB 3.48Å; N393-A396 PolarHBondContact OD1-N 2.84Å; N393-A396 VanDerWaalsContact OD1-N 3.15Å; A396-K398 VanDerWaalsContact C-N 3.32Å; A396-K398 PolarHBondContact O-N 3.16Å; A396-A399 WeakPolarHBondContact O-CB 3.4Å; A396-A399 PolarHBondContact O-N 2.99Å; A396-I400 WeakPolarHBondContact O-CG1 3.38Å; A396-I400 PolarHBondContact O-N 2.86Å
397	L	97.9	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-48.6	174.3	171.2	61.2	0	0	0	111	A385 L388 R389 N393 Y394 S395 A399 I400 I401 L433 V437	A385-L397 HydrophobicContact CB-CD1 3.81Å; A385-L397 WeakPolarHBondContact O-CD1 3.26Å; L388-L397 HydrophobicContact CB-CB 4.31Å; R389-L397 HydrophobicContact CB-CD2 3.99Å; R389-L397 HydrophobicContact CG-CD2 4.45Å; N393-L397 VanDerWaalsContact O-CB 3.23Å; N393-L397 WeakPolarHBondContact O-CB 3.28Å; N393-L397 PolarHBondContact O-N 3.19Å; N393-L397 VanDerWaalsContact O-N 3.13Å; Y394-L397 HydrophobicContact CD1-CD2 4.07Å; S395-L397 PolarHBondContact O-N 2.92Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.11Å; L397-I400 PolarHBondContact O-N 3.42Å; L397-I401 HydrophobicContact CD1-CD1 4.45Å; L397-I401 HydrophobicContact CD1-CG1 3.87Å; L397-I401 WeakPolarHBondContact O-CG1 3.25Å; L397-I401 PolarHBondContact O-N 3.26Å; L397-L433 HydrophobicContact CD1-CB 4.36Å; L397-L433 HydrophobicContact CD1-CD1 4.49Å; L397-L433 HydrophobicContact CD1-CD2 4.02Å; L397-V437 HydrophobicContact CD2-CG1 3.83Å; L397-V437 HydrophobicContact CG-CG1 4.07Å
398	K	96.9	Very high	95.4	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-42.1	178.2	-177.1	79.4	-170.7	-159.2	0	110.5	Y303 Y394 S395 A396 I400 I401 M402 V437 Y511	Y303-K398 HydrophobicContact CE2-CB 4.05Å; Y303-K398 HydrophobicContact CE2-CG 4.04Å; Y303-K398 PolarHBondContact OH-O 2.93Å; Y394-K398 WeakPolarHBondContact O-CB 3.38Å; Y394-K398 PolarHBondContact O-N 3.4Å; S395-K398 PolarHBondContact O-N 2.9Å; A396-K398 VanDerWaalsContact C-N 3.32Å; A396-K398 PolarHBondContact O-N 3.16Å; K398-I400 PolarHBondContact O-N 2.84Å; K398-I401 PolarHBondContact O-N 3.2Å; K398-M402 HydrophobicContact CD-CG 4.23Å; K398-M402 HydrophobicContact CG-CG 4.14Å; K398-M402 VanDerWaalsContact O-CB 3.29Å; K398-M402 WeakPolarHBondContact O-CB 3.36Å; K398-M402 WeakPolarHBondContact O-CG 3.43Å; K398-M402 PolarHBondContact O-N 2.86Å; K398-V437 HydrophobicContact CD-CB 3.73Å; K398-V437 HydrophobicContact CD-CG1 4.49Å; K398-V437 HydrophobicContact CD-CG2 4.07Å; K398-V437 PolarHBondContact NZ-O 2.94Å; K398-Y511 HydrophobicContact CB-CD2 4.1Å; K398-Y511 HydrophobicContact CB-CG 4.17Å; K398-Y511 HydrophobicContact CG-CD1 4.19Å; K398-Y511 HydrophobicContact CG-CD2 3.91Å; K398-Y511 HydrophobicContact CG-CE1 4.39Å; K398-Y511 HydrophobicContact CG-CE2 4.11Å; K398-Y511 HydrophobicContact CG-CG 3.96Å
399	A	97.8	Very high	95.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.7	-48.2	178.8	0	0	0	0	0	111.9	Y303 L306 S395 A396 L397 M402 A403	Y303-A399 HydrophobicContact CD2-CB 3.67Å; Y303-A399 HydrophobicContact CE1-CB 4.42Å; Y303-A399 VanDerWaalsContact CE2-CA 3.42Å; Y303-A399 HydrophobicContact CE2-CB 3.53Å; Y303-A399 VanDerWaalsContact CE2-N 3.26Å; Y303-A399 HydrophobicContact CG-CB 4.17Å; L306-A399 HydrophobicContact CB-CB 4.21Å; L306-A399 HydrophobicContact CD2-CB 3.93Å; L306-A399 HydrophobicContact CG-CB 4.06Å; S395-A399 PolarHBondContact O-N 3.39Å; A396-A399 WeakPolarHBondContact O-CB 3.4Å; A396-A399 PolarHBondContact O-N 2.99Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.11Å; A399-M402 PolarHBondContact O-N 2.71Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.28Å
400	I	97.7	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-47.3	-179	-64.8	165.9	0	0	0	111.3	L306 V310 W381 I384 A385 L388 A396 L397 K398 M402 A403 L404	L306-I400 HydrophobicContact CD1-CG1 4.37Å; L306-I400 HydrophobicContact CD2-CD1 4.44Å; L306-I400 HydrophobicContact CD2-CG1 4.2Å; L306-I400 HydrophobicContact CG-CG1 4.22Å; V310-I400 HydrophobicContact CG2-CB 4.35Å; V310-I400 HydrophobicContact CG2-CG1 3.86Å; V310-I400 HydrophobicContact CG2-CG2 4.33Å; W381-I400 HydrophobicContact CB-CG2 4.08Å; W381-I400 HydrophobicContact CE3-CD1 3.84Å; W381-I400 HydrophobicContact CE3-CG1 4.03Å; W381-I400 HydrophobicContact CE3-CG2 4.27Å; W381-I400 HydrophobicContact CZ3-CD1 3.99Å; W381-I400 HydrophobicContact CZ3-CG1 4.2Å; I384-I400 HydrophobicContact CG2-CD1 3.93Å; A385-I400 HydrophobicContact CB-CB 4.49Å; A385-I400 HydrophobicContact CB-CG2 4.06Å; L388-I400 HydrophobicContact CD1-CD1 3.4Å; A396-I400 WeakPolarHBondContact O-CG1 3.38Å; A396-I400 PolarHBondContact O-N 2.86Å; L397-I400 PolarHBondContact O-N 3.42Å; K398-I400 PolarHBondContact O-N 2.84Å; I400-M402 VanDerWaalsContact C-N 3.27Å; I400-M402 PolarHBondContact O-N 3.28Å; I400-A403 PolarHBondContact O-N 3.1Å; I400-A403 VanDerWaalsContact O-N 3.14Å; I400-L404 HydrophobicContact CG2-CD1 4.05Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CG 3.4Å; I400-L404 PolarHBondContact O-N 2.91Å
401	I	97.4	Very high	94.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-39.9	179.2	-64.7	-61.7	0	0	0	110.9	A385 L397 K398 L404 Q405 F430 L433 A434 V437	A385-I401 HydrophobicContact CB-CD1 4.48Å; L397-I401 HydrophobicContact CD1-CD1 4.45Å; L397-I401 HydrophobicContact CD1-CG1 3.87Å; L397-I401 WeakPolarHBondContact O-CG1 3.25Å; L397-I401 PolarHBondContact O-N 3.26Å; K398-I401 PolarHBondContact O-N 3.2Å; I401-L404 PolarHBondContact O-N 2.88Å; I401-Q405 HydrophobicContact CG2-CG 4.41Å; I401-Q405 VanDerWaalsContact O-CB 3.31Å; I401-Q405 WeakPolarHBondContact O-CB 3.26Å; I401-Q405 VanDerWaalsContact O-CG 3.29Å; I401-Q405 WeakPolarHBondContact O-CG 3.45Å; I401-Q405 PolarHBondContact O-N 2.95Å; I401-F430 HydrophobicContact CD1-CD2 4.06Å; I401-F430 HydrophobicContact CD1-CE2 4.22Å; I401-L433 HydrophobicContact CD1-CB 3.79Å; I401-L433 HydrophobicContact CD1-CD1 4.49Å; I401-L433 HydrophobicContact CG1-CB 4.4Å; I401-A434 HydrophobicContact CG2-CB 4.17Å; I401-V437 HydrophobicContact CB-CG2 3.95Å; I401-V437 HydrophobicContact CG1-CG2 4Å; I401-V437 HydrophobicContact CG2-CG2 3.86Å
402	M	95.9	Very high	94.3	Very high	21 Å²	21	14.3 Å²	14.3	10%	0.103	7%	0.069	C	C	.	.	H	α-helix	trans	-65.1	-38.7	175.3	-68.2	-68.7	89	0	0	113	Y303 Y307 K398 A399 I400 Q405 S406 F439	Y303-M402 WeakPolarHBondContact OH-CG 3.44Å; Y307-M402 HydrophobicContact CD2-CB 3.96Å; Y307-M402 VanDerWaalsContact CE2-C 3.48Å; Y307-M402 HydrophobicContact CE2-CB 3.93Å; Y307-M402 WeakPolarHBondContact CE2-O 3.31Å; K398-M402 HydrophobicContact CD-CG 4.23Å; K398-M402 HydrophobicContact CG-CG 4.14Å; K398-M402 VanDerWaalsContact O-CB 3.29Å; K398-M402 WeakPolarHBondContact O-CB 3.36Å; K398-M402 WeakPolarHBondContact O-CG 3.43Å; K398-M402 PolarHBondContact O-N 2.86Å; A399-M402 PolarHBondContact O-N 2.71Å; I400-M402 VanDerWaalsContact C-N 3.27Å; I400-M402 PolarHBondContact O-N 3.28Å; M402-Q405 HydrophobicContact CE-CB 4.48Å; M402-Q405 CarbonylContact O-C 3.57Å; M402-Q405 PolarHBondContact O-N 2.95Å; M402-S406 PolarHBondContact O-N 2.75Å; M402-F439 HydrophobicContact CE-CD2 4.12Å; M402-F439 HydrophobicContact CE-CE2 3.4Å; M402-F439 HydrophobicContact CE-CZ 4.01Å; M402-F439 HydrophobicContact SD-CD2 4.25Å; M402-F439 HydrophobicContact SD-CE1 4.24Å; M402-F439 HydrophobicContact SD-CE2 3.08Å; M402-F439 WeakPolarHBondContact SD-CE2 3.35Å; M402-F439 HydrophobicContact SD-CZ 3.08Å; M402-F439 WeakPolarHBondContact SD-CZ 3.28Å
403	A	95.9	Very high	93.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.6	-42	175.9	0	0	0	0	0	111.6	Y307 V310 Q311 A399 I400 Q405 S406 V409	Y307-A403 HydrophobicContact CD2-CB 3.72Å; Y307-A403 VanDerWaalsContact CE2-CA 3.48Å; Y307-A403 HydrophobicContact CE2-CB 4.01Å; Y307-A403 HydrophobicContact CG-CB 4.15Å; Y307-A403 WeakPolarHBondContact O-CB 3.41Å; V310-A403 HydrophobicContact CB-CB 3.58Å; V310-A403 HydrophobicContact CG1-CB 3.61Å; V310-A403 HydrophobicContact CG2-CB 4.19Å; Q311-A403 HydrophobicContact CG-CB 4.42Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.28Å; I400-A403 PolarHBondContact O-N 3.1Å; I400-A403 VanDerWaalsContact O-N 3.14Å; A403-Q405 VanDerWaalsContact C-N 3.31Å; A403-Q405 PolarHBondContact O-N 3.41Å; A403-S406 WeakPolarHBondContact O-CB 3.46Å; A403-S406 PolarHBondContact O-N 3.19Å; A403-S406 VanDerWaalsContact O-N 3.12Å; A403-S406 PolarHBondContact O-OG 2.87Å; A403-V409 WeakPolarHBondContact O-CG2 3.42Å
404	L	95.9	Very high	92.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.3	-33	175.6	-68	177.8	0	0	0	112.6	V310 M314 I378 W381 I382 I400 I401 S406 V409 W416 F430	V310-L404 HydrophobicContact CG1-CD2 4.14Å; V310-L404 HydrophobicContact CG1-CG 4.44Å; M314-L404 HydrophobicContact SD-CD2 4.39Å; I378-L404 HydrophobicContact CG2-CD2 4.39Å; W381-L404 HydrophobicContact CB-CD1 4.38Å; W381-L404 HydrophobicContact CB-CD2 4.38Å; I382-L404 HydrophobicContact CG1-CD1 4.02Å; I400-L404 HydrophobicContact CG2-CD1 4.05Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CG 3.4Å; I400-L404 PolarHBondContact O-N 2.91Å; I401-L404 PolarHBondContact O-N 2.88Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-V409 HydrophobicContact CD2-CG1 4.25Å; L404-V409 WeakPolarHBondContact O-CG1 3.33Å; L404-W416 HydrophobicContact CB-CH2 4.37Å; L404-W416 HydrophobicContact CB-CZ2 4.45Å; L404-F430 HydrophobicContact CB-CE2 3.93Å; L404-F430 HydrophobicContact CD1-CD2 4.15Å; L404-F430 HydrophobicContact CD1-CE2 4.15Å
405	Q	94.5	Very high	92.2	Very high	57 Å²	57	19.2 Å²	19.2	27%	0.266	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	2.3	174.2	-68.7	-179.1	-25.6	0	0	113.4	I401 M402 A403 L410 F430	I401-Q405 HydrophobicContact CG2-CG 4.41Å; I401-Q405 VanDerWaalsContact O-CB 3.31Å; I401-Q405 WeakPolarHBondContact O-CB 3.26Å; I401-Q405 VanDerWaalsContact O-CG 3.29Å; I401-Q405 WeakPolarHBondContact O-CG 3.45Å; I401-Q405 PolarHBondContact O-N 2.95Å; M402-Q405 HydrophobicContact CE-CB 4.48Å; M402-Q405 CarbonylContact O-C 3.57Å; M402-Q405 PolarHBondContact O-N 2.95Å; A403-Q405 VanDerWaalsContact C-N 3.31Å; A403-Q405 PolarHBondContact O-N 3.41Å; Q405-L410 HydrophobicContact CB-CD1 4.48Å; Q405-L410 WeakPolarHBondContact O-CD1 3.17Å; Q405-F430 HydrophobicContact CG-CE2 4.29Å; Q405-F430 HydrophobicContact CG-CZ 3.79Å
406	S	94	Very high	91.7	Very high	7 Å²	7	19.4 Å²	19.4	5%	0.049	9%	0.091	C	C	.	.	S	Bend	trans	-70.6	150.3	177	72.4	0	0	0	0	110.9	Y307 Q311 M402 A403 L404 P408 V409 L410	Y307-S406 WeakPolarHBondContact OH-CB 3.31Å; Q311-S406 PolarHBondContact NE2-OG 3.06Å; M402-S406 PolarHBondContact O-N 2.75Å; A403-S406 WeakPolarHBondContact O-CB 3.46Å; A403-S406 PolarHBondContact O-N 3.19Å; A403-S406 VanDerWaalsContact O-N 3.12Å; A403-S406 PolarHBondContact O-OG 2.87Å; L404-S406 VanDerWaalsContact C-N 3.29Å; S406-P408 VanDerWaalsContact C-CD 3.45Å; S406-P408 VanDerWaalsContact C-N 3.35Å; S406-V409 PolarHBondContact O-N 3.3Å; S406-L410 PolarHBondContact O-N 3.34Å
407	T	90.3	Very high	91.1	Very high	53 Å²	53	22.4 Å²	22.4	33%	0.325	11%	0.107	S	C	.	.	H	α-helix	trans	-52.9	-42.7	-178.6	-51.4	0	0	0	0	113.9	V409 R411 L740	T407-V409 VanDerWaalsContact C-N 3.28Å; T407-V409 PolarHBondContact O-N 3.07Å; T407-R411 PolarHBondContact O-N 2.8Å; T407-L740 HydrophobicContact CG2-CD1 4.02Å
408	P	90	Very high	90.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-36.3	176.7	-26.1	35.6	0	0	0	113.9	F315 S406 E736 A739 L740 S743	F315-P408 HydrophobicContact CE2-CB 3.87Å; F315-P408 HydrophobicContact CZ-CB 4.18Å; F315-P408 WeakPolarHBondContact CZ-O 3.06Å; S406-P408 VanDerWaalsContact C-CD 3.45Å; S406-P408 VanDerWaalsContact C-N 3.35Å; P408-E736 HydrophobicContact CG-CG 4.46Å; P408-A739 HydrophobicContact CB-CB 3.97Å; P408-A739 HydrophobicContact CG-CB 4.08Å; P408-L740 HydrophobicContact CG-CB 4.05Å; P408-L740 HydrophobicContact CG-CD1 4.14Å; P408-S743 VanDerWaalsContact O-CB 3.24Å; P408-S743 WeakPolarHBondContact O-CB 3.42Å; P408-S743 PolarHBondContact O-OG 3.23Å
409	V	90.1	Very high	90.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-87.4	-41.4	-175.3	179.8	0	0	0	0	111.8	M314 F315 A403 L404 S406 T407 R411 L412 W416	M314-V409 HydrophobicContact CE-CG1 3.81Å; M314-V409 HydrophobicContact SD-CB 4.37Å; M314-V409 HydrophobicContact SD-CG1 3.64Å; M314-V409 HydrophobicContact SD-CG2 3.78Å; F315-V409 HydrophobicContact CE2-CG2 3.98Å; F315-V409 HydrophobicContact CZ-CG2 4.3Å; A403-V409 WeakPolarHBondContact O-CG2 3.42Å; L404-V409 HydrophobicContact CD2-CG1 4.25Å; L404-V409 WeakPolarHBondContact O-CG1 3.33Å; S406-V409 PolarHBondContact O-N 3.3Å; T407-V409 VanDerWaalsContact C-N 3.28Å; T407-V409 PolarHBondContact O-N 3.07Å; V409-R411 PolarHBondContact O-N 3.05Å; V409-L412 WeakPolarHBondContact O-CB 3.33Å; V409-L412 PolarHBondContact O-N 2.95Å; V409-L412 VanDerWaalsContact O-N 3.15Å; V409-W416 HydrophobicContact CG1-CZ2 4.03Å; V409-W416 PolarHBondContact O-NE1 2.94Å
410	L	89.1	Confident	89.7	Confident	50 Å²	50	26.9 Å²	26.9	26%	0.262	13%	0.129	S	C	.	.	H	α-helix	trans	-63.4	-26.8	178.9	-73.9	-177.2	0	0	0	113.3	Q405 S406 L412 W416 F761	Q405-L410 HydrophobicContact CB-CD1 4.48Å; Q405-L410 WeakPolarHBondContact O-CD1 3.17Å; S406-L410 PolarHBondContact O-N 3.34Å; L410-L412 PolarHBondContact O-N 2.83Å; L410-W416 HydrophobicContact CD2-CZ2 4.21Å; L410-F761 HydrophobicContact CD2-CD2 4.19Å; L410-F761 HydrophobicContact CD2-CE2 3.87Å
411	R	88.1	Confident	89	Confident	34 Å²	34	36.3 Å²	36.3	13%	0.128	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.3	177.4	-172.2	173.5	54.1	-135.9	-10.2	113.5	T407 V409 W413 L740 S743 C744 M753	T407-R411 PolarHBondContact O-N 2.8Å; V409-R411 PolarHBondContact O-N 3.05Å; R411-W413 PolarHBondContact O-N 2.95Å; R411-L740 VanDerWaalsContact NH1-CD1 3.32Å; R411-L740 PolarHBondContact NH2-O 3.29Å; R411-S743 PolarHBondContact NE-OG 3.02Å; R411-S743 PolarHBondContact NH2-OG 3.17Å; R411-C744 PolarHBondContact NH1-SG 2.86Å; R411-C744 PolarHBondContact NH2-SG 3.16Å; R411-C744 VanDerWaalsContact NH2-SG 3.36Å; R411-M753 HydrophobicContact CG-CE 3.55Å
412	L	84.3	Confident	88.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	19%	0.191	C	C	.	.			trans	-70.2	62.6	176.9	-61.9	175.8	0	0	0	111.6	M314 F315 K374 V409 L410 H414 S415 W416 E747	M314-L412 HydrophobicContact CE-CD1 3.49Å; M314-L412 VanDerWaalsContact CE-CD1 3.49Å; F315-L412 HydrophobicContact CE1-CD1 3.87Å; F315-L412 HydrophobicContact CE1-CD2 4.26Å; F315-L412 HydrophobicContact CE1-CG 4.37Å; F315-L412 HydrophobicContact CZ-CD1 3.86Å; F315-L412 HydrophobicContact CZ-CG 4.4Å; K374-L412 HydrophobicContact CB-CD1 4.34Å; K374-L412 HydrophobicContact CG-CD1 4.4Å; V409-L412 WeakPolarHBondContact O-CB 3.33Å; V409-L412 PolarHBondContact O-N 2.95Å; V409-L412 VanDerWaalsContact O-N 3.15Å; L410-L412 PolarHBondContact O-N 2.83Å; L412-H414 VanDerWaalsContact C-N 3.27Å; L412-H414 PolarHBondContact O-N 2.84Å; L412-S415 PolarHBondContact O-N 2.84Å; L412-S415 VanDerWaalsContact O-N 3.16Å; L412-W416 PolarHBondContact O-N 2.76Å; L412-E747 VanDerWaalsContact C-OE2 3.3Å; L412-E747 WeakPolarHBondContact CA-OE2 3.48Å; L412-E747 HydrophobicContact CD2-CG 4.42Å
413	W	78.7	Confident	88	Confident	103 Å²	103	42.7 Å²	42.7	39%	0.39	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-33.5	-168.3	66.6	-90.1	0	0	0	111	R411 S415 W416 N417 E747 M753	R411-W413 PolarHBondContact O-N 2.95Å; W413-S415 VanDerWaalsContact C-N 3.32Å; W413-S415 PolarHBondContact O-N 3.37Å; W413-W416 PolarHBondContact O-N 2.82Å; W413-N417 VanDerWaalsContact O-CB 3.29Å; W413-N417 WeakPolarHBondContact O-CB 3.39Å; W413-N417 PolarHBondContact O-N 2.71Å; W413-E747 PolarHBondContact N-OE2 2.87Å; W413-E747 PolarHBondContact NE1-OE2 3.5Å; W413-M753 HydrophobicContact CB-SD 4.43Å; W413-M753 HydrophobicContact CG-SD 3.88Å
414	H	80	Confident	87.7	Confident	68 Å²	68	47.4 Å²	47.4	32%	0.315	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-46.4	176.7	-172.3	74.6	0	0	0	109.8	L412 W416 N417 V418 E747	L412-H414 VanDerWaalsContact C-N 3.27Å; L412-H414 PolarHBondContact O-N 2.84Å; H414-W416 PolarHBondContact O-N 2.97Å; H414-N417 PolarHBondContact O-N 2.99Å; H414-V418 VanDerWaalsContact O-CG2 3.26Å; H414-V418 WeakPolarHBondContact O-CG2 3.38Å; H414-V418 PolarHBondContact O-N 3.39Å; H414-E747 WeakPolarHBondContact CB-OE1 3.36Å
415	S	86.4	Confident	87.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-39.3	179	-60.6	0	0	0	0	113.2	G371 K374 T375 L412 W413 L419	G371-S415 PolarHBondContact O-OG 3.37Å; K374-S415 WeakPolarHBondContact CB-OG 3.33Å; T375-S415 WeakPolarHBondContact OG1-CA 3.48Å; T375-S415 WeakPolarHBondContact OG1-CB 3.46Å; T375-S415 PolarHBondContact OG1-O 2.87Å; T375-S415 VanDerWaalsContact OG1-O 3.05Å; L412-S415 PolarHBondContact O-N 2.84Å; L412-S415 VanDerWaalsContact O-N 3.16Å; W413-S415 VanDerWaalsContact C-N 3.32Å; W413-S415 PolarHBondContact O-N 3.37Å; S415-L419 WeakPolarHBondContact O-CB 3.18Å; S415-L419 PolarHBondContact O-N 3.11Å
416	W	87.7	Confident	87.5	Confident	8 Å²	8	52.3 Å²	52.3	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-38	175.1	-74.7	109.2	0	0	0	112.6	I378 L404 V409 L410 L412 W413 H414 L419 E420 F427 F430	I378-W416 HydrophobicContact CD1-CD2 4.37Å; I378-W416 HydrophobicContact CD1-CZ2 4.3Å; I378-W416 HydrophobicContact CG2-CH2 3.84Å; I378-W416 HydrophobicContact CG2-CZ2 4.27Å; I378-W416 HydrophobicContact CG2-CZ3 4.01Å; L404-W416 HydrophobicContact CB-CH2 4.37Å; L404-W416 HydrophobicContact CB-CZ2 4.45Å; V409-W416 HydrophobicContact CG1-CZ2 4.03Å; V409-W416 PolarHBondContact O-NE1 2.94Å; L410-W416 HydrophobicContact CD2-CZ2 4.21Å; L412-W416 PolarHBondContact O-N 2.76Å; W413-W416 PolarHBondContact O-N 2.82Å; H414-W416 PolarHBondContact O-N 2.97Å; W416-L419 HydrophobicContact CE3-CD2 3.62Å; W416-L419 HydrophobicContact CZ3-CD2 3.6Å; W416-L419 WeakPolarHBondContact O-CB 3.3Å; W416-L419 PolarHBondContact O-N 3.49Å; W416-E420 PolarHBondContact O-N 3.37Å; W416-F427 HydrophobicContact CE3-CE2 4.44Å; W416-F430 HydrophobicContact CH2-CD1 4.29Å; W416-F430 HydrophobicContact CH2-CD2 4.32Å; W416-F430 AromaticContact CH2-CE1 3.98Å; W416-F430 HydrophobicContact CH2-CE1 3.98Å; W416-F430 HydrophobicContact CH2-CE2 4.01Å; W416-F430 HydrophobicContact CH2-CG 4.45Å; W416-F430 AromaticContact CH2-CZ 3.82Å; W416-F430 HydrophobicContact CH2-CZ 3.82Å; W416-F430 AromaticContact CZ3-CD1 3.93Å; W416-F430 HydrophobicContact CZ3-CD1 3.93Å; W416-F430 AromaticContact CZ3-CE1 3.91Å; W416-F430 HydrophobicContact CZ3-CE1 3.91Å; W416-F430 HydrophobicContact CZ3-CG 4.27Å; W416-F430 HydrophobicContact CZ3-CZ 4.24Å
417	N	84.5	Confident	87.4	Confident	64 Å²	64	52 Å²	52	34%	0.342	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-41.7	176.1	-76	-4.2	0	0	0	111.7	W413 H414 L419 E420 Y421	W413-N417 VanDerWaalsContact O-CB 3.29Å; W413-N417 WeakPolarHBondContact O-CB 3.39Å; W413-N417 PolarHBondContact O-N 2.71Å; H414-N417 PolarHBondContact O-N 2.99Å; N417-L419 VanDerWaalsContact C-N 3.29Å; N417-L419 PolarHBondContact O-N 2.88Å; N417-E420 PolarHBondContact O-N 3.26Å; N417-Y421 VanDerWaalsContact O-CB 3.3Å; N417-Y421 WeakPolarHBondContact O-CB 3.36Å; N417-Y421 PolarHBondContact O-N 3.31Å
418	V	86.7	Confident	87.6	Confident	24 Å²	24	53.3 Å²	53.3	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-41.9	172.8	173.4	0	0	0	0	110.1	T375 H414 H422 Y423	T375-V418 HydrophobicContact CG2-CB 4.43Å; T375-V418 HydrophobicContact CG2-CG1 4.01Å; H414-V418 VanDerWaalsContact O-CG2 3.26Å; H414-V418 WeakPolarHBondContact O-CG2 3.38Å; H414-V418 PolarHBondContact O-N 3.39Å; V418-H422 WeakPolarHBondContact O-CB 3.47Å; V418-H422 PolarHBondContact O-N 2.82Å; V418-Y423 HydrophobicContact CG1-CE2 4.44Å
419	L	87.4	Confident	87.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-47.8	174.8	-179.8	66.1	0	0	0	112	T375 I378 I379 I382 S415 W416 N417 Y423 H424 H426 F427	T375-L419 HydrophobicContact CG2-CB 4.21Å; I378-L419 HydrophobicContact CG2-CD2 3.75Å; I379-L419 HydrophobicContact CD1-CD1 4.06Å; I379-L419 HydrophobicContact CG1-CD1 3.46Å; I379-L419 VanDerWaalsContact CG1-CD1 3.46Å; I382-L419 HydrophobicContact CD1-CD2 3.81Å; S415-L419 WeakPolarHBondContact O-CB 3.18Å; S415-L419 PolarHBondContact O-N 3.11Å; W416-L419 HydrophobicContact CE3-CD2 3.62Å; W416-L419 HydrophobicContact CZ3-CD2 3.6Å; W416-L419 WeakPolarHBondContact O-CB 3.3Å; W416-L419 PolarHBondContact O-N 3.49Å; N417-L419 VanDerWaalsContact C-N 3.29Å; N417-L419 PolarHBondContact O-N 2.88Å; L419-Y423 CarbonylContact O-C 2.97Å; L419-Y423 WeakPolarHBondContact O-CA 3.31Å; L419-Y423 WeakPolarHBondContact O-CB 3.3Å; L419-Y423 PolarHBondContact O-N 3.24Å; L419-H424 PolarHBondContact O-N 3.42Å; L419-H426 HydrophobicContact CD1-CB 3.92Å; L419-F427 HydrophobicContact CD2-CD2 4.22Å; L419-F427 HydrophobicContact CG-CB 4.22Å; L419-F427 HydrophobicContact CG-CD2 4.43Å
420	E	89.1	Confident	88.2	Confident	72 Å²	72	55.3 Å²	55.3	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-39.6	-179.2	-178.9	163.6	-155	0	0	112.4	W416 N417 H424 F427	W416-E420 PolarHBondContact O-N 3.37Å; N417-E420 PolarHBondContact O-N 3.26Å; E420-H424 PolarHBondContact O-ND1 3.46Å; E420-F427 HydrophobicContact CB-CD1 4.12Å; E420-F427 HydrophobicContact CB-CD2 4.33Å; E420-F427 HydrophobicContact CB-CE1 4.11Å; E420-F427 HydrophobicContact CB-CE2 4.36Å; E420-F427 HydrophobicContact CB-CG 4.2Å; E420-F427 HydrophobicContact CB-CZ 4.23Å; E420-F427 HydrophobicContact CG-CD1 3.84Å; E420-F427 HydrophobicContact CG-CE1 3.63Å; E420-F427 HydrophobicContact CG-CG 4.42Å; E420-F427 HydrophobicContact CG-CZ 4.1Å; E420-F427 WeakPolarHBondContact OE1-CE1 3.41Å
421	Y	82.3	Confident	88.5	Confident	197 Å²	197	56.5 Å²	56.5	77%	0.773	25%	0.252	S	S	*	.	H	α-helix	trans	-83	-45.3	-176.1	-171.4	-97.4	0	0	0	113.5	N417	N417-Y421 VanDerWaalsContact O-CB 3.3Å; N417-Y421 WeakPolarHBondContact O-CB 3.36Å; N417-Y421 PolarHBondContact O-N 3.31Å
422	H	84.9	Confident	88.8	Confident	114 Å²	114	58.8 Å²	58.8	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-95.6	-26.3	-176.1	-69.5	-76.4	0	0	0	113.9	V418	V418-H422 WeakPolarHBondContact O-CB 3.47Å; V418-H422 PolarHBondContact O-N 2.82Å
423	Y	88.9	Confident	89.3	Confident	42 Å²	42	58.7 Å²	58.7	17%	0.165	26%	0.26	C	S	.	.			trans	-127.4	44.2	-171.9	-60.7	-83.3	0	0	0	111.5	P327 T375 I379 V418 L419 E425 H426 F427	P327-Y423 HydrophobicContact CG-CE1 3.86Å; T375-Y423 HydrophobicContact CG2-CD2 4.19Å; T375-Y423 HydrophobicContact CG2-CE2 4.27Å; I379-Y423 HydrophobicContact CD1-CD1 3.73Å; I379-Y423 HydrophobicContact CD1-CD2 3.73Å; I379-Y423 HydrophobicContact CD1-CE1 3.97Å; I379-Y423 HydrophobicContact CD1-CE2 3.97Å; I379-Y423 HydrophobicContact CD1-CG 3.59Å; V418-Y423 HydrophobicContact CG1-CE2 4.44Å; L419-Y423 CarbonylContact O-C 2.97Å; L419-Y423 WeakPolarHBondContact O-CA 3.31Å; L419-Y423 WeakPolarHBondContact O-CB 3.3Å; L419-Y423 PolarHBondContact O-N 3.24Å; Y423-E425 PolarHBondContact O-N 3.41Å; Y423-H426 PolarHBondContact O-N 3.45Å; Y423-F427 PolarHBondContact O-N 2.87Å; Y423-F427 VanDerWaalsContact O-N 3.16Å
424	H	89	Confident	90	Very high	100 Å²	100	54.5 Å²	54.5	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-51	-36	-173.4	-169.9	76.4	0	0	0	114.1	L419 E420 F427 M428	L419-H424 PolarHBondContact O-N 3.42Å; E420-H424 PolarHBondContact O-ND1 3.46Å; H424-F427 WeakPolarHBondContact O-CB 3.5Å; H424-F427 PolarHBondContact O-N 3.48Å; H424-M428 WeakPolarHBondContact CE1-CE 3.28Å; H424-M428 VanDerWaalsContact NE2-CE 3.29Å; H424-M428 WeakPolarHBondContact NE2-CE 3.38Å; H424-M428 WeakPolarHBondContact O-CG 3.34Å; H424-M428 PolarHBondContact O-N 3.39Å
425	E	92.1	Very high	90.7	Very high	125 Å²	125	53.5 Å²	53.5	58%	0.584	25%	0.248	S	C	*	.	H	α-helix	trans	-61.5	-45.5	176.7	-168.3	-165.1	141.9	0	0	112.3	Y423 F427 M428 K429	Y423-E425 PolarHBondContact O-N 3.41Å; E425-F427 VanDerWaalsContact C-N 3.33Å; E425-M428 PolarHBondContact O-N 2.97Å; E425-K429 WeakPolarHBondContact O-CG 3.39Å; E425-K429 PolarHBondContact O-N 3.25Å; E425-K429 WeakPolarHBondContact OE1-CE 3.46Å; E425-K429 IonicContact OE1-NZ 2.75Å; E425-K429 PolarHBondContact OE1-NZ 3.4Å
426	H	93.2	Very high	90.8	Very high	35 Å²	35	53.6 Å²	53.6	16%	0.162	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-36.9	177.5	-65.4	-85.3	0	0	0	111.1	I382 D383 L419 Y423 M428 K429 F430	I382-H426 HydrophobicContact CG2-CB 4.41Å; D383-H426 IonicContact OD1-CE1 3.27Å; D383-H426 PolarHBondContact OD1-CE1 3.21Å; D383-H426 IonicContact OD1-ND1 2.65Å; D383-H426 PolarHBondContact OD1-ND1 2.85Å; D383-H426 IonicContact OD2-CE1 3.4Å; D383-H426 PolarHBondContact OD2-CE1 3.34Å; D383-H426 VanDerWaalsContact OD2-CE1 3.25Å; D383-H426 IonicContact OD2-ND1 3.14Å; L419-H426 HydrophobicContact CD1-CB 3.92Å; Y423-H426 PolarHBondContact O-N 3.45Å; H426-M428 VanDerWaalsContact C-N 3.31Å; H426-M428 PolarHBondContact O-N 2.95Å; H426-K429 WeakPolarHBondContact O-CB 3.01Å; H426-K429 PolarHBondContact O-N 3.5Å; H426-F430 PolarHBondContact O-N 3.33Å
427	F	93.6	Very high	90.9	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-40.4	173.1	-173.3	-115.9	0	0	0	112.2	W416 L419 E420 Y423 H424 E425 F430 K431 F761	W416-F427 HydrophobicContact CE3-CE2 4.44Å; L419-F427 HydrophobicContact CD2-CD2 4.22Å; L419-F427 HydrophobicContact CG-CB 4.22Å; L419-F427 HydrophobicContact CG-CD2 4.43Å; E420-F427 HydrophobicContact CB-CD1 4.12Å; E420-F427 HydrophobicContact CB-CD2 4.33Å; E420-F427 HydrophobicContact CB-CE1 4.11Å; E420-F427 HydrophobicContact CB-CE2 4.36Å; E420-F427 HydrophobicContact CB-CG 4.2Å; E420-F427 HydrophobicContact CB-CZ 4.23Å; E420-F427 HydrophobicContact CG-CD1 3.84Å; E420-F427 HydrophobicContact CG-CE1 3.63Å; E420-F427 HydrophobicContact CG-CG 4.42Å; E420-F427 HydrophobicContact CG-CZ 4.1Å; E420-F427 WeakPolarHBondContact OE1-CE1 3.41Å; Y423-F427 PolarHBondContact O-N 2.87Å; Y423-F427 VanDerWaalsContact O-N 3.16Å; H424-F427 WeakPolarHBondContact O-CB 3.5Å; H424-F427 PolarHBondContact O-N 3.48Å; E425-F427 VanDerWaalsContact C-N 3.33Å; F427-F430 WeakPolarHBondContact O-CB 3.41Å; F427-F430 PolarHBondContact O-N 3.15Å; F427-K431 HydrophobicContact CD1-CD 4.38Å; F427-K431 HydrophobicContact CE1-CD 4.02Å; F427-K431 HydrophobicContact CZ-CD 4.43Å; F427-K431 VanDerWaalsContact CZ-CE 3.43Å; F427-K431 PolarHBondContact O-N 3.24Å; F427-F761 HydrophobicContact CE2-CE1 4.21Å; F427-F761 HydrophobicContact CZ-CE1 4.07Å
428	M	94	Very high	91.1	Very high	80 Å²	80	51.3 Å²	51.3	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-69.6	-37.1	174.3	-70.5	-59	162.5	0	0	112.8	H424 E425 H426 F430 K431 Y432	H424-M428 WeakPolarHBondContact CE1-CE 3.28Å; H424-M428 VanDerWaalsContact NE2-CE 3.29Å; H424-M428 WeakPolarHBondContact NE2-CE 3.38Å; H424-M428 WeakPolarHBondContact O-CG 3.34Å; H424-M428 PolarHBondContact O-N 3.39Å; E425-M428 PolarHBondContact O-N 2.97Å; H426-M428 VanDerWaalsContact C-N 3.31Å; H426-M428 PolarHBondContact O-N 2.95Å; M428-F430 VanDerWaalsContact C-N 3.32Å; M428-F430 PolarHBondContact O-N 3.43Å; M428-K431 PolarHBondContact O-N 2.86Å; M428-K431 HydrophobicContact SD-CD 4.11Å; M428-Y432 VanDerWaalsContact O-CB 3.28Å; M428-Y432 WeakPolarHBondContact O-CB 3.41Å; M428-Y432 PolarHBondContact O-N 2.85Å
429	K	95.7	Very high	91.1	Very high	41 Å²	41	55 Å²	55	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-45.8	169.6	-72.3	173.1	-172.6	161	0	110.8	I382 Y386 E425 H426 Y432 L433	I382-K429 HydrophobicContact CG2-CB 3.86Å; Y386-K429 HydrophobicContact CD2-CB 4.43Å; Y386-K429 HydrophobicContact CD2-CD 4.27Å; Y386-K429 HydrophobicContact CD2-CG 4.13Å; Y386-K429 HydrophobicContact CE2-CG 4.35Å; Y386-K429 HydrophobicContact CG-CD 4.36Å; E425-K429 WeakPolarHBondContact O-CG 3.39Å; E425-K429 PolarHBondContact O-N 3.25Å; E425-K429 WeakPolarHBondContact OE1-CE 3.46Å; E425-K429 IonicContact OE1-NZ 2.75Å; E425-K429 PolarHBondContact OE1-NZ 3.4Å; H426-K429 WeakPolarHBondContact O-CB 3.01Å; H426-K429 PolarHBondContact O-N 3.5Å; K429-Y432 PolarHBondContact O-N 3.3Å; K429-L433 WeakPolarHBondContact O-CB 3.44Å; K429-L433 WeakPolarHBondContact O-CG 3.35Å; K429-L433 PolarHBondContact O-N 2.9Å
430	F	96.8	Very high	90.8	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-51.2	176.2	171.8	-106.2	0	0	0	112.3	I382 I401 L404 Q405 W416 H426 F427 M428 Y432 L433 A434	I382-F430 HydrophobicContact CD1-CB 3.77Å; I382-F430 HydrophobicContact CD1-CG 4.38Å; I382-F430 HydrophobicContact CG1-CB 4.02Å; I382-F430 HydrophobicContact CG1-CD2 4.33Å; I382-F430 HydrophobicContact CG2-CB 4.43Å; I401-F430 HydrophobicContact CD1-CD2 4.06Å; I401-F430 HydrophobicContact CD1-CE2 4.22Å; L404-F430 HydrophobicContact CB-CE2 3.93Å; L404-F430 HydrophobicContact CD1-CD2 4.15Å; L404-F430 HydrophobicContact CD1-CE2 4.15Å; Q405-F430 HydrophobicContact CG-CE2 4.29Å; Q405-F430 HydrophobicContact CG-CZ 3.79Å; W416-F430 HydrophobicContact CH2-CD1 4.29Å; W416-F430 HydrophobicContact CH2-CD2 4.32Å; W416-F430 AromaticContact CH2-CE1 3.98Å; W416-F430 HydrophobicContact CH2-CE1 3.98Å; W416-F430 HydrophobicContact CH2-CE2 4.01Å; W416-F430 HydrophobicContact CH2-CG 4.45Å; W416-F430 AromaticContact CH2-CZ 3.82Å; W416-F430 HydrophobicContact CH2-CZ 3.82Å; W416-F430 AromaticContact CZ3-CD1 3.93Å; W416-F430 HydrophobicContact CZ3-CD1 3.93Å; W416-F430 AromaticContact CZ3-CE1 3.91Å; W416-F430 HydrophobicContact CZ3-CE1 3.91Å; W416-F430 HydrophobicContact CZ3-CG 4.27Å; W416-F430 HydrophobicContact CZ3-CZ 4.24Å; H426-F430 PolarHBondContact O-N 3.33Å; F427-F430 WeakPolarHBondContact O-CB 3.41Å; F427-F430 PolarHBondContact O-N 3.15Å; M428-F430 VanDerWaalsContact C-N 3.32Å; M428-F430 PolarHBondContact O-N 3.43Å; F430-Y432 VanDerWaalsContact C-N 3.3Å; F430-Y432 PolarHBondContact O-N 2.85Å; F430-L433 PolarHBondContact O-N 3.47Å; F430-A434 VanDerWaalsContact O-CB 3.3Å; F430-A434 WeakPolarHBondContact O-CB 2.88Å; F430-A434 PolarHBondContact O-N 3.11Å
431	K	94.7	Very high	90.4	Very high	76 Å²	76	61.5 Å²	61.5	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-56.8	-44.7	176.5	-77.8	-176.6	171.4	173.3	0	112	F427 M428 A434 S435	F427-K431 HydrophobicContact CD1-CD 4.38Å; F427-K431 HydrophobicContact CE1-CD 4.02Å; F427-K431 HydrophobicContact CZ-CD 4.43Å; F427-K431 VanDerWaalsContact CZ-CE 3.43Å; F427-K431 PolarHBondContact O-N 3.24Å; M428-K431 PolarHBondContact O-N 2.86Å; M428-K431 HydrophobicContact SD-CD 4.11Å; K431-A434 PolarHBondContact O-N 2.76Å; K431-S435 PolarHBondContact O-N 3.24Å
432	Y	94.7	Very high	90.4	Very high	82 Å²	82	55.8 Å²	55.8	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-51.2	176.6	174.4	-93.8	0	0	0	111.5	R389 M428 K429 F430 A434 S435 V436	R389-Y432 PolarHBondContact NH2-OH 3.42Å; M428-Y432 VanDerWaalsContact O-CB 3.28Å; M428-Y432 WeakPolarHBondContact O-CB 3.41Å; M428-Y432 PolarHBondContact O-N 2.85Å; K429-Y432 PolarHBondContact O-N 3.3Å; F430-Y432 VanDerWaalsContact C-N 3.3Å; F430-Y432 PolarHBondContact O-N 2.85Å; Y432-A434 PolarHBondContact O-N 2.66Å; Y432-S435 PolarHBondContact O-N 3.06Å; Y432-S435 PolarHBondContact O-OG 3.08Å; Y432-V436 HydrophobicContact CE1-CG2 3.9Å; Y432-V436 HydrophobicContact CE2-CG2 4.39Å; Y432-V436 WeakPolarHBondContact O-CG2 3.07Å; Y432-V436 PolarHBondContact O-N 2.7Å
433	L	95.3	Very high	90.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-43.3	-179.9	-68.4	169.5	0	0	0	111.6	A385 Y386 R389 L397 I401 K429 F430 S435 V436 V437	A385-L433 HydrophobicContact CB-CD1 3.84Å; Y386-L433 HydrophobicContact CD2-CD2 4.47Å; R389-L433 HydrophobicContact CB-CD2 3.53Å; R389-L433 HydrophobicContact CG-CD2 3.78Å; L397-L433 HydrophobicContact CD1-CB 4.36Å; L397-L433 HydrophobicContact CD1-CD1 4.49Å; L397-L433 HydrophobicContact CD1-CD2 4.02Å; I401-L433 HydrophobicContact CD1-CB 3.79Å; I401-L433 HydrophobicContact CD1-CD1 4.49Å; I401-L433 HydrophobicContact CG1-CB 4.4Å; K429-L433 WeakPolarHBondContact O-CB 3.44Å; K429-L433 WeakPolarHBondContact O-CG 3.35Å; K429-L433 PolarHBondContact O-N 2.9Å; F430-L433 PolarHBondContact O-N 3.47Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 3.02Å; L433-V436 WeakPolarHBondContact O-CB 3.3Å; L433-V436 PolarHBondContact O-N 2.71Å; L433-V436 VanDerWaalsContact O-N 3.14Å; L433-V437 PolarHBondContact O-N 3.26Å
434	A	94.1	Very high	90.5	Very high	14 Å²	14	52.2 Å²	52.2	12%	0.116	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-39	175.1	0	0	0	0	0	112.5	I401 F430 K431 Y432 V436 V437 S438	I401-A434 HydrophobicContact CG2-CB 4.17Å; F430-A434 VanDerWaalsContact O-CB 3.3Å; F430-A434 WeakPolarHBondContact O-CB 2.88Å; F430-A434 PolarHBondContact O-N 3.11Å; K431-A434 PolarHBondContact O-N 2.76Å; Y432-A434 PolarHBondContact O-N 2.66Å; A434-V436 VanDerWaalsContact C-N 3.3Å; A434-V436 PolarHBondContact O-N 2.8Å; A434-V437 CarbonylContact O-C 3.58Å; A434-V437 PolarHBondContact O-N 3.4Å; A434-S438 WeakPolarHBondContact O-CA 3.16Å; A434-S438 PolarHBondContact O-N 2.8Å
435	S	93.1	Very high	90.5	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-34.6	176	78.8	0	0	0	0	112.8	K431 Y432 L433 Q445	K431-S435 PolarHBondContact O-N 3.24Å; Y432-S435 PolarHBondContact O-N 3.06Å; Y432-S435 PolarHBondContact O-OG 3.08Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 3.02Å; S435-Q445 PolarHBondContact O-OE1 3.37Å
436	V	89.5	Confident	90.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-70.3	-38.2	-180	173.8	0	0	0	0	111.7	Y394 Y432 L433 A434	Y394-V436 HydrophobicContact CE1-CG1 4.38Å; Y432-V436 HydrophobicContact CE1-CG2 3.9Å; Y432-V436 HydrophobicContact CE2-CG2 4.39Å; Y432-V436 WeakPolarHBondContact O-CG2 3.07Å; Y432-V436 PolarHBondContact O-N 2.7Å; L433-V436 WeakPolarHBondContact O-CB 3.3Å; L433-V436 PolarHBondContact O-N 2.71Å; L433-V436 VanDerWaalsContact O-N 3.14Å; A434-V436 VanDerWaalsContact C-N 3.3Å; A434-V436 PolarHBondContact O-N 2.8Å
437	V	89.5	Confident	90.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	26	179.8	-60	0	0	0	0	112.9	L397 K398 I401 L433 A434	L397-V437 HydrophobicContact CD2-CG1 3.83Å; L397-V437 HydrophobicContact CG-CG1 4.07Å; K398-V437 HydrophobicContact CD-CB 3.73Å; K398-V437 HydrophobicContact CD-CG1 4.49Å; K398-V437 HydrophobicContact CD-CG2 4.07Å; K398-V437 PolarHBondContact NZ-O 2.94Å; I401-V437 HydrophobicContact CB-CG2 3.95Å; I401-V437 HydrophobicContact CG1-CG2 4Å; I401-V437 HydrophobicContact CG2-CG2 3.86Å; L433-V437 PolarHBondContact O-N 3.26Å; A434-V437 CarbonylContact O-C 3.58Å; A434-V437 PolarHBondContact O-N 3.4Å
438	S	89.2	Confident	90.3	Very high	23 Å²	23	52.4 Å²	52.4	16%	0.161	26%	0.255	C	S	.	.			trans	-59.6	154.7	179.9	-175.1	0	0	0	0	111.5	A434 D440 Q443	A434-S438 WeakPolarHBondContact O-CA 3.16Å; A434-S438 PolarHBondContact O-N 2.8Å; S438-D440 WeakPolarHBondContact CB-OD2 3.4Å; S438-D440 PolarHBondContact OG-N 3.4Å; S438-D440 PolarHBondContact OG-OD2 3.36Å; S438-Q443 WeakPolarHBondContact O-CA 3.01Å; S438-Q443 WeakPolarHBondContact O-CG 3.44Å
439	F	85.4	Confident	90.1	Very high	102 Å²	102	52.5 Å²	52.5	45%	0.447	25%	0.251	S	S	.	.			trans	-77.1	-8.7	172.2	-74.4	-71.7	0	0	0	113.7	M402 N441 N442	M402-F439 HydrophobicContact CE-CD2 4.12Å; M402-F439 HydrophobicContact CE-CE2 3.4Å; M402-F439 HydrophobicContact CE-CZ 4.01Å; M402-F439 HydrophobicContact SD-CD2 4.25Å; M402-F439 HydrophobicContact SD-CE1 4.24Å; M402-F439 HydrophobicContact SD-CE2 3.08Å; M402-F439 WeakPolarHBondContact SD-CE2 3.35Å; M402-F439 HydrophobicContact SD-CZ 3.08Å; M402-F439 WeakPolarHBondContact SD-CZ 3.28Å; F439-N441 PolarHBondContact O-N 2.9Å; F439-N442 PolarHBondContact O-N 3.37Å
440	D	82.3	Confident	90	Very high	89 Å²	89	50.6 Å²	50.6	48%	0.476	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55	134.7	-176.9	-60.5	-42.5	0	0	0	112.7	S438 N442 Q443 E444	S438-D440 WeakPolarHBondContact CB-OD2 3.4Å; S438-D440 PolarHBondContact OG-N 3.4Å; S438-D440 PolarHBondContact OG-OD2 3.36Å; D440-N442 PolarHBondContact O-N 3.2Å; D440-N442 VanDerWaalsContact O-N 3.15Å; D440-Q443 WeakPolarHBondContact O-CA 3.23Å; D440-Q443 PolarHBondContact O-N 3.11Å; D440-E444 PolarHBondContact O-N 3.03Å
441	N	81.2	Confident	89.8	Confident	119 Å²	119	53.6 Å²	53.6	64%	0.636	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	43.8	47.2	-178.7	-166.8	25.3	0	0	0	112.9	F439 Q443 E444	F439-N441 PolarHBondContact O-N 2.9Å; N441-Q443 VanDerWaalsContact C-N 3.33Å; N441-Q443 PolarHBondContact O-N 2.88Å; N441-E444 HydrophobicContact CB-CB 3.99Å; N441-E444 PolarHBondContact ND2-OE2 2.86Å; N441-E444 PolarHBondContact O-N 3.42Å
442	N	81.2	Confident	89.6	Confident	77 Å²	77	56.4 Å²	56.4	41%	0.412	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	58.2	40.7	-177.3	-166.8	13.2	0	0	0	113.2	F439 D440 R447	F439-N442 PolarHBondContact O-N 3.37Å; D440-N442 PolarHBondContact O-N 3.2Å; D440-N442 VanDerWaalsContact O-N 3.15Å; N442-R447 VanDerWaalsContact CG-NH2 3.3Å; N442-R447 PolarHBondContact ND2-NH2 3.3Å; N442-R447 WeakPolarHBondContact O-CD 3.11Å; N442-R447 PolarHBondContact O-NE 3.14Å; N442-R447 PolarHBondContact OD1-NH2 2.61Å
443	Q	87	Confident	89.4	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.047	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	40.1	-180	-40.7	-175.1	-13.1	0	0	114	S438 D440 N441 Q445 L446 R447 Y511 V514	S438-Q443 WeakPolarHBondContact O-CA 3.01Å; S438-Q443 WeakPolarHBondContact O-CG 3.44Å; D440-Q443 WeakPolarHBondContact O-CA 3.23Å; D440-Q443 PolarHBondContact O-N 3.11Å; N441-Q443 VanDerWaalsContact C-N 3.33Å; N441-Q443 PolarHBondContact O-N 2.88Å; Q443-Q445 VanDerWaalsContact C-N 3.31Å; Q443-Q445 PolarHBondContact O-N 2.81Å; Q443-L446 HydrophobicContact CB-CB 4.22Å; Q443-L446 WeakPolarHBondContact O-CB 3.38Å; Q443-L446 PolarHBondContact O-N 2.76Å; Q443-R447 WeakPolarHBondContact O-CG 3.45Å; Q443-R447 PolarHBondContact O-N 3.32Å; Q443-Y511 VanDerWaalsContact OE1-CD1 3.28Å; Q443-V514 HydrophobicContact CB-CG2 4.48Å
444	E	88.1	Confident	89.1	Confident	70 Å²	70	52.8 Å²	52.8	33%	0.327	26%	0.258	S	S	.	.	H	α-helix	trans	-53.2	-42.2	-175.5	-177.5	-177.3	176.1	0	0	113.9	D440 N441 L446 R447 K448	D440-E444 PolarHBondContact O-N 3.03Å; N441-E444 HydrophobicContact CB-CB 3.99Å; N441-E444 PolarHBondContact ND2-OE2 2.86Å; N441-E444 PolarHBondContact O-N 3.42Å; E444-L446 VanDerWaalsContact C-N 3.28Å; E444-L446 PolarHBondContact O-N 2.78Å; E444-R447 WeakPolarHBondContact O-CB 3.5Å; E444-R447 PolarHBondContact O-N 3.45Å; E444-K448 HydrophobicContact CG-CD 4.29Å; E444-K448 HydrophobicContact CG-CG 4.49Å; E444-K448 WeakPolarHBondContact O-CG 3.2Å; E444-K448 PolarHBondContact O-N 3.03Å; E444-K448 WeakPolarHBondContact OE1-CE 3.49Å; E444-K448 IonicContact OE1-NZ 2.74Å; E444-K448 PolarHBondContact OE1-NZ 3.15Å
445	Q	89	Confident	88.8	Confident	89 Å²	89	55.3 Å²	55.3	42%	0.416	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-36	178.7	-72.6	-155.4	24.6	0	0	113.2	S435 Q443 R449	S435-Q445 PolarHBondContact O-OE1 3.37Å; Q443-Q445 VanDerWaalsContact C-N 3.31Å; Q443-Q445 PolarHBondContact O-N 2.81Å; Q445-R449 WeakPolarHBondContact O-CG 3.29Å; Q445-R449 PolarHBondContact O-N 3.45Å; Q445-R449 PolarHBondContact O-NH1 3.14Å
446	L	91.2	Very high	88.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-74.3	-44	176.7	-178.6	58.1	0	0	0	110	Y394 Q443 E444 K448 R449 L450 V514	Y394-L446 HydrophobicContact CD1-CD1 3.51Å; Y394-L446 HydrophobicContact CD2-CD1 4.13Å; Y394-L446 HydrophobicContact CE1-CD1 4.04Å; Y394-L446 HydrophobicContact CG-CD1 3.58Å; Q443-L446 HydrophobicContact CB-CB 4.22Å; Q443-L446 WeakPolarHBondContact O-CB 3.38Å; Q443-L446 PolarHBondContact O-N 2.76Å; E444-L446 VanDerWaalsContact C-N 3.28Å; E444-L446 PolarHBondContact O-N 2.78Å; L446-K448 PolarHBondContact O-N 2.96Å; L446-R449 WeakPolarHBondContact O-CB 3.24Å; L446-R449 PolarHBondContact O-N 3.35Å; L446-R449 VanDerWaalsContact O-N 3.14Å; L446-L450 HydrophobicContact CD1-CD1 4.31Å; L446-L450 HydrophobicContact CD1-CG 4.2Å; L446-L450 HydrophobicContact CG-CD1 4.05Å; L446-L450 HydrophobicContact CG-CG 4.36Å; L446-L450 WeakPolarHBondContact O-CG 3.26Å; L446-L450 PolarHBondContact O-N 3.33Å; L446-V514 HydrophobicContact CD2-CG2 3.88Å; L446-V514 HydrophobicContact CG-CG2 4.35Å
447	R	92.2	Very high	88.3	Confident	44 Å²	44	57.5 Å²	57.5	17%	0.166	27%	0.273	C	S	.	.	H	α-helix	trans	-52.5	-55	174.3	-71.9	171.7	177.6	-79.5	-9.4	112	N442 Q443 E444 R449 L450 D451 V514 S517 D518	N442-R447 VanDerWaalsContact CG-NH2 3.3Å; N442-R447 PolarHBondContact ND2-NH2 3.3Å; N442-R447 WeakPolarHBondContact O-CD 3.11Å; N442-R447 PolarHBondContact O-NE 3.14Å; N442-R447 PolarHBondContact OD1-NH2 2.61Å; Q443-R447 WeakPolarHBondContact O-CG 3.45Å; Q443-R447 PolarHBondContact O-N 3.32Å; E444-R447 WeakPolarHBondContact O-CB 3.5Å; E444-R447 PolarHBondContact O-N 3.45Å; R447-R449 PolarHBondContact O-N 2.98Å; R447-L450 PolarHBondContact O-N 2.94Å; R447-D451 PolarHBondContact O-N 3.15Å; R447-V514 HydrophobicContact CG-CG1 3.5Å; R447-V514 VanDerWaalsContact CG-CG1 3.5Å; R447-V514 PolarHBondContact NH2-O 3.13Å; R447-S517 PolarHBondContact NH2-OG 2.84Å; R447-D518 IonicContact CZ-OD1 3.63Å; R447-D518 VanDerWaalsContact CZ-OD1 3.3Å; R447-D518 IonicContact CZ-OD2 3.25Å; R447-D518 VanDerWaalsContact NH1-CG 3.26Å; R447-D518 IonicContact NH1-OD1 2.6Å; R447-D518 PolarHBondContact NH1-OD1 3.15Å; R447-D518 VanDerWaalsContact NH1-OD1 3.1Å; R447-D518 IonicContact NH1-OD2 3.95Å; R447-D518 PolarHBondContact NH1-OD2 3.35Å; R447-D518 IonicContact NH2-OD1 2.93Å; R447-D518 PolarHBondContact NH2-OD1 3.43Å; R447-D518 IonicContact NH2-OD2 3.14Å
448	K	91.6	Very high	88.1	Confident	132 Å²	132	58 Å²	58	57%	0.574	28%	0.275	S	S	*	.	H	α-helix	trans	-54.6	-39.4	178.3	-74	178.8	-178.8	170.6	0	112.5	E444 L446 K452	E444-K448 HydrophobicContact CG-CD 4.29Å; E444-K448 HydrophobicContact CG-CG 4.49Å; E444-K448 WeakPolarHBondContact O-CG 3.2Å; E444-K448 PolarHBondContact O-N 3.03Å; E444-K448 WeakPolarHBondContact OE1-CE 3.49Å; E444-K448 IonicContact OE1-NZ 2.74Å; E444-K448 PolarHBondContact OE1-NZ 3.15Å; L446-K448 PolarHBondContact O-N 2.96Å; K448-K452 WeakPolarHBondContact O-CB 3.24Å; K448-K452 PolarHBondContact O-N 3.49Å; K448-K452 VanDerWaalsContact O-N 3.16Å
449	R	91.4	Very high	87.7	Confident	83 Å²	83	62 Å²	62	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-49.2	176.8	-75.5	173.5	169.4	87.7	-4.4	111	Q445 L446 R447 D451 K452 C453	Q445-R449 WeakPolarHBondContact O-CG 3.29Å; Q445-R449 PolarHBondContact O-N 3.45Å; Q445-R449 PolarHBondContact O-NH1 3.14Å; L446-R449 WeakPolarHBondContact O-CB 3.24Å; L446-R449 PolarHBondContact O-N 3.35Å; L446-R449 VanDerWaalsContact O-N 3.14Å; R447-R449 PolarHBondContact O-N 2.98Å; R449-D451 PolarHBondContact O-N 2.81Å; R449-K452 WeakPolarHBondContact O-CB 2.83Å; R449-K452 PolarHBondContact O-N 2.94Å; R449-C453 PolarHBondContact O-N 3.42Å; R449-C453 VanDerWaalsContact O-N 3.11Å; R449-C453 PolarHBondContact O-SG 3.01Å
450	L	93.4	Very high	87.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-42.6	179.3	-67	177.9	0	0	0	112	Y394 L446 R447 K452 C453 A454 V508 P510 V514 F515 L709	Y394-L450 HydrophobicContact CD2-CD2 3.94Å; Y394-L450 HydrophobicContact CE2-CD2 4.26Å; L446-L450 HydrophobicContact CD1-CD1 4.31Å; L446-L450 HydrophobicContact CD1-CG 4.2Å; L446-L450 HydrophobicContact CG-CD1 4.05Å; L446-L450 HydrophobicContact CG-CG 4.36Å; L446-L450 WeakPolarHBondContact O-CG 3.26Å; L446-L450 PolarHBondContact O-N 3.33Å; R447-L450 PolarHBondContact O-N 2.94Å; L450-K452 VanDerWaalsContact C-N 3.33Å; L450-K452 PolarHBondContact O-N 2.8Å; L450-C453 WeakPolarHBondContact O-CA 3.41Å; L450-C453 WeakPolarHBondContact O-CB 3.29Å; L450-C453 PolarHBondContact O-N 3.33Å; L450-A454 PolarHBondContact O-N 2.78Å; L450-V508 HydrophobicContact CD2-CG1 3.97Å; L450-P510 HydrophobicContact CD1-CB 3.8Å; L450-P510 HydrophobicContact CD2-CB 3.81Å; L450-P510 HydrophobicContact CG-CB 4.46Å; L450-V514 HydrophobicContact CD1-CG2 4.41Å; L450-F515 HydrophobicContact CB-CZ 4.35Å; L450-F515 HydrophobicContact CD1-CE2 3.96Å; L450-F515 HydrophobicContact CD1-CZ 4.01Å; L450-L709 HydrophobicContact CB-CD1 4.39Å; L450-L709 HydrophobicContact CD2-CD1 4.36Å
451	D	91	Very high	87.4	Confident	63 Å²	63	58.1 Å²	58.1	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-42.1	175.7	-70.3	-29	0	0	0	111.6	R447 R449 C453 A454 N455	R447-D451 PolarHBondContact O-N 3.15Å; R449-D451 PolarHBondContact O-N 2.81Å; D451-C453 VanDerWaalsContact C-N 3.27Å; D451-C453 PolarHBondContact O-N 2.67Å; D451-A454 PolarHBondContact O-N 3.28Å; D451-N455 VanDerWaalsContact O-CB 3.26Å; D451-N455 WeakPolarHBondContact O-CB 3.43Å; D451-N455 VanDerWaalsContact O-CG 3.22Å; D451-N455 PolarHBondContact O-N 3.49Å; D451-N455 PolarHBondContact O-ND2 3.5Å
452	K	90.4	Very high	87.2	Confident	136 Å²	136	57 Å²	57	59%	0.591	26%	0.255	S	S	*	.	H	α-helix	trans	-60.5	-36.7	173.5	-173.7	175.4	-177.8	173.7	0	112	K448 R449 L450 K456	K448-K452 WeakPolarHBondContact O-CB 3.24Å; K448-K452 PolarHBondContact O-N 3.49Å; K448-K452 VanDerWaalsContact O-N 3.16Å; R449-K452 WeakPolarHBondContact O-CB 2.83Å; R449-K452 PolarHBondContact O-N 2.94Å; L450-K452 VanDerWaalsContact C-N 3.33Å; L450-K452 PolarHBondContact O-N 2.8Å; K452-K456 VanDerWaalsContact O-CG 3.28Å; K452-K456 WeakPolarHBondContact O-CG 2.98Å; K452-K456 PolarHBondContact O-N 3.49Å; K452-K456 VanDerWaalsContact O-N 3.14Å
453	C	91.1	Very high	87	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.027	27%	0.268	C	S	.	.	H	α-helix	trans	-69.6	-47.2	177.2	-48.9	0	0	0	0	111.8	R392 R449 L450 D451 K456 M457 V508 L709 N712	R392-C453 PolarHBondContact NH2-SG 2.99Å; R449-C453 PolarHBondContact O-N 3.42Å; R449-C453 VanDerWaalsContact O-N 3.11Å; R449-C453 PolarHBondContact O-SG 3.01Å; L450-C453 WeakPolarHBondContact O-CA 3.41Å; L450-C453 WeakPolarHBondContact O-CB 3.29Å; L450-C453 PolarHBondContact O-N 3.33Å; D451-C453 VanDerWaalsContact C-N 3.27Å; D451-C453 PolarHBondContact O-N 2.67Å; C453-K456 PolarHBondContact O-N 3.04Å; C453-M457 PolarHBondContact O-N 2.82Å; C453-M457 VanDerWaalsContact O-N 3.09Å; C453-V508 HydrophobicContact CB-CG2 4.09Å; C453-L709 HydrophobicContact CB-CD2 3.74Å; C453-N712 PolarHBondContact O-ND2 2.82Å
454	A	89	Confident	86.1	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-46	178.2	0	0	0	0	0	110.6	L450 D451 K456 M457 Y458 L708 L709	L450-A454 PolarHBondContact O-N 2.78Å; D451-A454 PolarHBondContact O-N 3.28Å; A454-K456 PolarHBondContact O-N 2.82Å; A454-M457 PolarHBondContact O-N 3.04Å; A454-M457 VanDerWaalsContact O-N 3.15Å; A454-Y458 PolarHBondContact O-N 3.13Å; A454-L708 HydrophobicContact CB-CB 4.05Å; A454-L708 HydrophobicContact CB-CD1 4.26Å; A454-L709 HydrophobicContact CB-CD2 4.36Å; A454-L709 HydrophobicContact CB-CG 4.37Å
455	N	87.1	Confident	85.1	Confident	67 Å²	67	64.4 Å²	64.4	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-40.2	177.8	-76.6	-28.6	0	0	0	113.1	D451 M457 Y458 W459	D451-N455 VanDerWaalsContact O-CB 3.26Å; D451-N455 WeakPolarHBondContact O-CB 3.43Å; D451-N455 VanDerWaalsContact O-CG 3.22Å; D451-N455 PolarHBondContact O-N 3.49Å; D451-N455 PolarHBondContact O-ND2 3.5Å; N455-M457 VanDerWaalsContact C-N 3.34Å; N455-Y458 PolarHBondContact O-N 3.47Å; N455-W459 VanDerWaalsContact O-CD1 3.25Å; N455-W459 PolarHBondContact O-N 3.28Å
456	K	87.3	Confident	83.3	Confident	94 Å²	94	65.3 Å²	65.3	41%	0.409	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-44.9	174.1	-79.2	178.3	174.5	-164.8	0	111.3	K452 C453 A454 W459 Y460	K452-K456 VanDerWaalsContact O-CG 3.28Å; K452-K456 WeakPolarHBondContact O-CG 2.98Å; K452-K456 PolarHBondContact O-N 3.49Å; K452-K456 VanDerWaalsContact O-N 3.14Å; C453-K456 PolarHBondContact O-N 3.04Å; A454-K456 PolarHBondContact O-N 2.82Å; K456-W459 PolarHBondContact O-N 3.23Å; K456-Y460 PolarHBondContact O-N 3.45Å
457	M	86.4	Confident	81.2	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-34.1	-179.2	-171.9	57.3	-175.5	0	0	113	C453 A454 N455 W459 Y460 L461 L505 L708 Q711 N712 F715	C453-M457 PolarHBondContact O-N 2.82Å; C453-M457 VanDerWaalsContact O-N 3.09Å; A454-M457 PolarHBondContact O-N 3.04Å; A454-M457 VanDerWaalsContact O-N 3.15Å; N455-M457 VanDerWaalsContact C-N 3.34Å; M457-W459 PolarHBondContact O-N 3.11Å; M457-Y460 HydrophobicContact CE-CD1 3.79Å; M457-Y460 HydrophobicContact CE-CE1 4.18Å; M457-Y460 PolarHBondContact O-N 3.16Å; M457-Y460 HydrophobicContact SD-CD1 3.74Å; M457-Y460 HydrophobicContact SD-CG 4.29Å; M457-L461 HydrophobicContact CE-CD1 4.26Å; M457-L461 HydrophobicContact CE-CD2 3.81Å; M457-L461 HydrophobicContact CE-CG 3.89Å; M457-L461 HydrophobicContact CG-CD1 4.42Å; M457-L461 WeakPolarHBondContact O-CG 3.42Å; M457-L461 PolarHBondContact O-N 3.47Å; M457-L505 HydrophobicContact SD-CD2 4.46Å; M457-L708 WeakPolarHBondContact CG-O 3.34Å; M457-Q711 HydrophobicContact CE-CB 3.45Å; M457-Q711 VanDerWaalsContact CE-CB 3.45Å; M457-Q711 HydrophobicContact CG-CB 3.97Å; M457-Q711 HydrophobicContact SD-CB 4.5Å; M457-N712 WeakPolarHBondContact CB-ND2 3.3Å; M457-F715 HydrophobicContact CE-CE2 3.55Å; M457-F715 HydrophobicContact CE-CZ 4.11Å; M457-F715 HydrophobicContact SD-CE2 3.84Å
458	Y	84.1	Confident	79.1	Confident	12 Å²	12	72.2 Å²	72.2	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-55.1	-52.2	171.1	170.9	-110.4	0	0	0	111.5	A454 N455 Y460 L461 K462 I473 R475	A454-Y458 PolarHBondContact O-N 3.13Å; N455-Y458 PolarHBondContact O-N 3.47Å; Y458-Y460 VanDerWaalsContact C-N 3.33Å; Y458-Y460 PolarHBondContact O-N 2.79Å; Y458-L461 PolarHBondContact O-N 3.36Å; Y458-K462 HydrophobicContact CE1-CD 4.16Å; Y458-K462 WeakPolarHBondContact O-CB 3.33Å; Y458-K462 PolarHBondContact O-N 3.37Å; Y458-K462 PolarHBondContact OH-NZ 3.35Å; Y458-I473 HydrophobicContact CD2-CB 4.28Å; Y458-I473 HydrophobicContact CD2-CG2 3.99Å; Y458-I473 HydrophobicContact CE2-CB 4.14Å; Y458-I473 HydrophobicContact CE2-CG2 4.23Å; Y458-I473 WeakPolarHBondContact CE2-O 3.34Å; Y458-I473 PolarHBondContact OH-O 3.3Å; Y458-R475 HydrophobicContact CD1-CG 4.2Å; Y458-R475 HydrophobicContact CE1-CB 4.05Å; Y458-R475 HydrophobicContact CE1-CG 3.88Å
459	W	80.4	Confident	76.6	Confident	106 Å²	106	68.8 Å²	68.8	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-38	178.6	-77.2	116.8	0	0	0	112.8	N455 K456 M457 K462 L463	N455-W459 VanDerWaalsContact O-CD1 3.25Å; N455-W459 PolarHBondContact O-N 3.28Å; K456-W459 PolarHBondContact O-N 3.23Å; M457-W459 PolarHBondContact O-N 3.11Å; W459-K462 HydrophobicContact CE3-CD 4.03Å; W459-K462 HydrophobicContact CZ3-CD 3.77Å; W459-K462 PolarHBondContact O-N 3.23Å; W459-L463 WeakPolarHBondContact O-CB 3Å; W459-L463 WeakPolarHBondContact O-CD1 3.38Å; W459-L463 VanDerWaalsContact O-CG 3.25Å; W459-L463 WeakPolarHBondContact O-CG 3.06Å; W459-L463 PolarHBondContact O-N 3.19Å
460	Y	81.5	Confident	74.3	Confident	66 Å²	66	66.4 Å²	66.4	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-59.3	-47.2	174.5	175.7	-95.3	0	0	0	112.1	K456 M457 Y458 L463 N464 L505 F715	K456-Y460 PolarHBondContact O-N 3.45Å; M457-Y460 HydrophobicContact CE-CD1 3.79Å; M457-Y460 HydrophobicContact CE-CE1 4.18Å; M457-Y460 PolarHBondContact O-N 3.16Å; M457-Y460 HydrophobicContact SD-CD1 3.74Å; M457-Y460 HydrophobicContact SD-CG 4.29Å; Y458-Y460 VanDerWaalsContact C-N 3.33Å; Y458-Y460 PolarHBondContact O-N 2.79Å; Y460-L463 PolarHBondContact O-N 2.89Å; Y460-N464 VanDerWaalsContact CD2-ND2 3.29Å; Y460-N464 WeakPolarHBondContact CD2-ND2 3.46Å; Y460-N464 WeakPolarHBondContact CE2-ND2 3.46Å; Y460-N464 PolarHBondContact O-N 2.82Å; Y460-N464 VanDerWaalsContact O-N 3.15Å; Y460-N464 PolarHBondContact O-ND2 2.81Å; Y460-L505 HydrophobicContact CD1-CD2 4.25Å; Y460-L505 HydrophobicContact CD2-CD1 3.9Å; Y460-L505 HydrophobicContact CD2-CD2 3.69Å; Y460-L505 HydrophobicContact CD2-CG 4.33Å; Y460-L505 HydrophobicContact CE1-CD1 4.49Å; Y460-L505 HydrophobicContact CE2-CD1 3.34Å; Y460-L505 HydrophobicContact CE2-CD2 4Å; Y460-L505 HydrophobicContact CE2-CG 4.24Å; Y460-L505 HydrophobicContact CG-CD2 3.81Å; Y460-F715 AromaticContact CE1-CZ 3.82Å; Y460-F715 HydrophobicContact CE1-CZ 3.82Å
461	L	80.6	Confident	72	Confident	43 Å²	43	66.4 Å²	66.4	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-42	177.9	-69.6	175.2	0	0	0	112	M457 Y458 L463 N464 N465 I473 L708 Q711	M457-L461 HydrophobicContact CE-CD1 4.26Å; M457-L461 HydrophobicContact CE-CD2 3.81Å; M457-L461 HydrophobicContact CE-CG 3.89Å; M457-L461 HydrophobicContact CG-CD1 4.42Å; M457-L461 WeakPolarHBondContact O-CG 3.42Å; M457-L461 PolarHBondContact O-N 3.47Å; Y458-L461 PolarHBondContact O-N 3.36Å; L461-L463 VanDerWaalsContact C-N 3.3Å; L461-L463 PolarHBondContact O-N 3.27Å; L461-N464 PolarHBondContact O-N 3.18Å; L461-N465 PolarHBondContact O-N 3.22Å; L461-I473 HydrophobicContact CD1-CD1 4.46Å; L461-L708 HydrophobicContact CD1-CD2 3.93Å; L461-Q711 HydrophobicContact CD1-CB 4.43Å; L461-Q711 HydrophobicContact CD1-CG 4.22Å
462	K	77.8	Confident	69.8	Low	96 Å²	96	67.9 Å²	67.9	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-34.3	178.9	-170.3	171.1	-171.4	169	0	113	Y458 W459	Y458-K462 HydrophobicContact CE1-CD 4.16Å; Y458-K462 WeakPolarHBondContact O-CB 3.33Å; Y458-K462 PolarHBondContact O-N 3.37Å; Y458-K462 PolarHBondContact OH-NZ 3.35Å; W459-K462 HydrophobicContact CE3-CD 4.03Å; W459-K462 HydrophobicContact CZ3-CD 3.77Å; W459-K462 PolarHBondContact O-N 3.23Å
463	L	75.7	Confident	67.7	Low	130 Å²	130	62.4 Å²	62.4	68%	0.681	32%	0.321	S	S	*	.	H	α-helix	trans	-77.3	-37.9	178.7	-72.2	167.7	0	0	0	112.7	W459 Y460 L461	W459-L463 WeakPolarHBondContact O-CB 3Å; W459-L463 WeakPolarHBondContact O-CD1 3.38Å; W459-L463 VanDerWaalsContact O-CG 3.25Å; W459-L463 WeakPolarHBondContact O-CG 3.06Å; W459-L463 PolarHBondContact O-N 3.19Å; Y460-L463 PolarHBondContact O-N 2.89Å; L461-L463 VanDerWaalsContact C-N 3.3Å; L461-L463 PolarHBondContact O-N 3.27Å
464	N	69.8	Low	65.5	Low	95 Å²	95	62.9 Å²	62.9	51%	0.508	32%	0.324	S	S	.	.	H	α-helix	trans	-91.4	-12.1	-174.1	-67.3	-33.9	0	0	0	114.4	Y460 L461	Y460-N464 VanDerWaalsContact CD2-ND2 3.29Å; Y460-N464 WeakPolarHBondContact CD2-ND2 3.46Å; Y460-N464 WeakPolarHBondContact CE2-ND2 3.46Å; Y460-N464 PolarHBondContact O-N 2.82Å; Y460-N464 VanDerWaalsContact O-N 3.15Å; Y460-N464 PolarHBondContact O-ND2 2.81Å; L461-N464 PolarHBondContact O-N 3.18Å
465	N	65.1	Low	63.2	Low	88 Å²	88	66.5 Å²	66.5	47%	0.471	34%	0.338	S	S	.	.			trans	-132.9	88.5	175.5	-160.1	-13.3	0	0	0	109.3	L461 P468	L461-N465 PolarHBondContact O-N 3.22Å; N465-P468 HydrophobicContact CB-CG 4.12Å; N465-P468 WeakPolarHBondContact O-CD 3.37Å; N465-P468 WeakPolarHBondContact O-CG 3.19Å; N465-P468 WeakPolarHBondContact OD1-CD 3.48Å
466	P	51.3	Low	61	Low	107 Å²	107	64.4 Å²	64.4	70%	0.695	33%	0.327	S	S	*	.	S	Bend	trans	-81.6	-23.4	-177.8	29.2	-33.2	0	0	0	114
467	N	48.8	Very low	58.7	Low	152 Å²	152	62.3 Å²	62.3	81%	0.813	33%	0.333	S	S	*	.	S	Bend	trans	-113.9	38.1	-178.7	-76.5	-10	0	0	0	115.9	L469	N467-L469 PolarHBondContact O-N 3.3Å
468	P	46.7	Very low	56.2	Low	38 Å²	38	66.1 Å²	66.1	25%	0.247	35%	0.353	C	S	.	.			trans	-86.2	124.5	173.7	36.6	-32	0	0	0	107.2	N465 C470	N465-P468 HydrophobicContact CB-CG 4.12Å; N465-P468 WeakPolarHBondContact O-CD 3.37Å; N465-P468 WeakPolarHBondContact O-CG 3.19Å; N465-P468 WeakPolarHBondContact OD1-CD 3.48Å; P468-C470 HydrophobicContact CB-CB 3.32Å; P468-C470 HydrophobicContact CG-CB 3.51Å; P468-C470 CarbonylContact O-C 3.57Å; P468-C470 PolarHBondContact O-N 2.95Å
469	L	39.9	Very low	54.1	Low	59 Å²	59	66.5 Å²	66.5	31%	0.309	36%	0.356	S	S	.	.			trans	-49	6.8	143.8	-88.2	151.7	0	0	0	113.4	Y95 N467 G471	Y95-L469 HydrophobicContact CD2-CD2 3.39Å; Y95-L469 HydrophobicContact CE2-CD2 3.68Å; Y95-L469 HydrophobicContact CG-CD2 4.22Å; N467-L469 PolarHBondContact O-N 3.3Å; L469-G471 PolarHBondContact O-N 3.18Å
470	C	43.4	Very low	51.7	Low	34 Å²	34	67.1 Å²	67.1	23%	0.23	38%	0.377	C	S	.	.	S	Bend	trans	-49.1	93.9	146.9	178.2	0	0	0	0	104.8	P468 D472 I473	P468-C470 HydrophobicContact CB-CB 3.32Å; P468-C470 HydrophobicContact CG-CB 3.51Å; P468-C470 CarbonylContact O-C 3.57Å; P468-C470 PolarHBondContact O-N 2.95Å; C470-D472 PolarHBondContact O-N 2.78Å; C470-I473 VanDerWaalsContact SG-CD1 3.58Å; C470-I473 VanDerWaalsContact SG-CG1 3.55Å
471	G	44.6	Very low	49.2	Very low	1 Å²	1	70.9 Å²	70.9	1%	0.01	40%	0.397	C	S	.	.			trans	-45	123	165.3	0	0	0	0	0	105.1	N49 Y95 L469 I473	N49-G471 PolarHBondContact ND2-O 3.27Å; Y95-G471 WeakPolarHBondContact OH-CA 3.33Å; L469-G471 PolarHBondContact O-N 3.18Å; G471-I473 PolarHBondContact O-N 3.49Å
472	D	44.9	Very low	46.6	Very low	94 Å²	94	78 Å²	78	50%	0.503	43%	0.426	S	S	.	.			trans	-30.9	113.9	-171.3	-65.7	-69	0	0	0	106.7	T45 N49 C470 S474	T45-D472 PolarHBondContact OG1-OD2 3.43Å; N49-D472 PolarHBondContact ND2-O 2.88Å; C470-D472 PolarHBondContact O-N 2.78Å; D472-S474 PolarHBondContact O-N 3.22Å; D472-S474 PolarHBondContact O-OG 3.4Å; D472-S474 VanDerWaalsContact O-OG 3.13Å
473	I	46.4	Very low	44.2	Very low	20 Å²	20	82.3 Å²	82.3	10%	0.103	45%	0.447	C	S	.	.			trans	-60.9	86.7	159.7	-65.7	158	0	0	0	100.4	Y458 L461 C470 G471 R475 F707 L708	Y458-I473 HydrophobicContact CD2-CB 4.28Å; Y458-I473 HydrophobicContact CD2-CG2 3.99Å; Y458-I473 HydrophobicContact CE2-CB 4.14Å; Y458-I473 HydrophobicContact CE2-CG2 4.23Å; Y458-I473 WeakPolarHBondContact CE2-O 3.34Å; Y458-I473 PolarHBondContact OH-O 3.3Å; L461-I473 HydrophobicContact CD1-CD1 4.46Å; C470-I473 VanDerWaalsContact SG-CD1 3.58Å; C470-I473 VanDerWaalsContact SG-CG1 3.55Å; G471-I473 PolarHBondContact O-N 3.49Å; I473-R475 PolarHBondContact O-N 3.48Å; I473-R475 VanDerWaalsContact O-N 3.11Å; I473-F707 HydrophobicContact CD1-CD1 4.4Å; I473-F707 HydrophobicContact CD1-CE1 3.88Å; I473-L708 HydrophobicContact CG2-CD1 4.47Å; I473-L708 HydrophobicContact CG2-CD2 4.45Å
474	S	43.8	Very low	42.1	Very low	14 Å²	14	83.3 Å²	83.3	10%	0.098	45%	0.454	C	S	.	.			trans	-60	127.9	-175.4	-3.1	0	0	0	0	100.4	V46 D472 P476	V46-S474 WeakPolarHBondContact CG2-OG 3.01Å; D472-S474 PolarHBondContact O-N 3.22Å; D472-S474 PolarHBondContact O-OG 3.4Å; D472-S474 VanDerWaalsContact O-OG 3.13Å; S474-P476 VanDerWaalsContact O-N 3.16Å
475	R	42.1	Very low	40.4	Very low	78 Å²	78	83.8 Å²	83.8	29%	0.294	47%	0.465	S	S	.	.			trans	-42.8	134.7	179.3	-158.8	-171.6	-170.8	-166.8	4.4	106.3	Y458 I473 G477 D478	Y458-R475 HydrophobicContact CD1-CG 4.2Å; Y458-R475 HydrophobicContact CE1-CB 4.05Å; Y458-R475 HydrophobicContact CE1-CG 3.88Å; I473-R475 PolarHBondContact O-N 3.48Å; I473-R475 VanDerWaalsContact O-N 3.11Å; R475-G477 CarbonylContact O-C 3.57Å; R475-G477 PolarHBondContact O-N 3.16Å; R475-D478 HydrophobicContact CB-CB 3.64Å; R475-D478 VanDerWaalsContact CB-OD2 3.26Å; R475-D478 WeakPolarHBondContact CB-OD2 3.49Å; R475-D478 WeakPolarHBondContact CD-OD1 3.3Å; R475-D478 WeakPolarHBondContact CD-OD2 3.48Å; R475-D478 IonicContact CZ-OD1 2.74Å; R475-D478 IonicContact NE-OD1 2.67Å; R475-D478 IonicContact NH1-OD1 2.65Å; R475-D478 PolarHBondContact NH1-OD1 2.79Å; R475-D478 PolarHBondContact O-N 3.04Å
476	P	40.2	Very low	38.8	Very low	22 Å²	22	85.6 Å²	85.6	14%	0.143	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-21.2	179.3	-26.3	31.4	0	0	0	112.7	S474 K701 N705 L708	S474-P476 VanDerWaalsContact O-N 3.16Å; P476-K701 WeakPolarHBondContact O-CD 3.43Å; P476-K701 WeakPolarHBondContact O-CE 3.24Å; P476-K701 PolarHBondContact O-NZ 3.21Å; P476-N705 VanDerWaalsContact CB-OD1 3.3Å; P476-N705 WeakPolarHBondContact CB-OD1 3.31Å; P476-N705 WeakPolarHBondContact CG-OD1 3.5Å; P476-L708 HydrophobicContact CG-CD1 4.35Å
477	G	38.4	Very low	38	Very low	51 Å²	51	84.1 Å²	84.1	53%	0.526	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-19.8	170.3	0	0	0	0	0	119.4	R475 I479	R475-G477 CarbonylContact O-C 3.57Å; R475-G477 PolarHBondContact O-N 3.16Å; G477-I479 VanDerWaalsContact C-N 3.34Å; G477-I479 PolarHBondContact O-N 3.03Å
478	D	34.3	Very low	37.3	Very low	83 Å²	83	85 Å²	85	44%	0.444	47%	0.47	S	S	.	.			trans	-86.2	62	-169.3	-72.7	-9.3	0	0	0	112.8	R475	R475-D478 HydrophobicContact CB-CB 3.64Å; R475-D478 VanDerWaalsContact CB-OD2 3.26Å; R475-D478 WeakPolarHBondContact CB-OD2 3.49Å; R475-D478 WeakPolarHBondContact CD-OD1 3.3Å; R475-D478 WeakPolarHBondContact CD-OD2 3.48Å; R475-D478 IonicContact CZ-OD1 2.74Å; R475-D478 IonicContact NE-OD1 2.67Å; R475-D478 IonicContact NH1-OD1 2.65Å; R475-D478 PolarHBondContact NH1-OD1 2.79Å; R475-D478 PolarHBondContact O-N 3.04Å
479	I	39.9	Very low	36.7	Very low	20 Å²	20	93 Å²	93	10%	0.103	50%	0.497	C	S	.	.	S	Bend	trans	-125.3	75.6	168.2	-36	176.8	0	0	0	111.3	V46 G477 Q481 R697	V46-I479 HydrophobicContact CG1-CD1 4Å; G477-I479 VanDerWaalsContact C-N 3.34Å; G477-I479 PolarHBondContact O-N 3.03Å; I479-Q481 PolarHBondContact O-N 3.14Å; I479-R697 HydrophobicContact CD1-CG 4.27Å
480	S	30.5	Very low	36.7	Very low	119 Å²	119	93.3 Å²	93.3	83%	0.832	50%	0.504	S	S	*	.	S	Bend	trans	44	24.6	158.2	80.5	0	0	0	0	118.8
481	Q	28.1	Very low	36.2	Very low	145 Å²	145	101.2 Å²	101.2	68%	0.678	53%	0.529	S	S	*	.	S	Bend	trans	-134.2	127.3	166.7	-65.7	-175.1	-4.9	0	0	104.9	I479	I479-Q481 PolarHBondContact O-N 3.14Å
482	F	27.8	Very low	35.6	Very low	191 Å²	191	111.6 Å²	111.6	84%	0.838	57%	0.568	S	S	*	*			trans	82.5	48.7	-175.5	-44.7	-76.3	0	0	0	115.9	D484	F482-D484 PolarHBondContact O-N 3.28Å
483	E	27.2	Very low	35.4	Very low	187 Å²	187	112.7 Å²	112.7	87%	0.874	58%	0.578	S	S	*	*			trans	-70.1	92.6	138.1	-77.3	-176.8	160	0	0	106
484	D	31.2	Very low	34.8	Very low	152 Å²	152	119.9 Å²	119.9	81%	0.813	61%	0.609	S	S	*	*	S	Bend	trans	171.2	79.8	156.5	-84.9	-23.3	0	0	0	109	F482	F482-D484 PolarHBondContact O-N 3.28Å
485	S	33.6	Very low	34.2	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	64%	0.644	S	S	*	*	S	Bend	trans	177.2	-26.1	147.2	33.2	0	0	0	0	116
486	D	32.7	Very low	33.4	Very low	125 Å²	125	130.1 Å²	130.1	67%	0.668	66%	0.661	S	S	*	*			trans	-112	23.6	-167.5	-71.5	-22.9	0	0	0	116.1	E488	D486-E488 PolarHBondContact O-N 3.06Å; D486-E488 VanDerWaalsContact O-N 3.09Å
487	A	33.1	Very low	33	Very low	77 Å²	77	135 Å²	135	64%	0.636	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-7.3	178.6	0	0	0	0	0	114.5
488	E	33.6	Very low	32.7	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-28.2	-178.3	-128.1	176.2	-175.7	0	0	113.7	D486	D486-E488 PolarHBondContact O-N 3.06Å; D486-E488 VanDerWaalsContact O-N 3.09Å
489	Y	36.1	Very low	32.6	Very low	206 Å²	206	137.6 Å²	137.6	81%	0.808	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-23.7	177.3	-96.9	-86.2	0	0	0	113.7	R491	Y489-R491 VanDerWaalsContact C-N 3.3Å; Y489-R491 PolarHBondContact O-N 3.21Å
490	S	38.6	Very low	32.3	Very low	65 Å²	65	143.3 Å²	143.3	46%	0.455	74%	0.736	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	-17.9	-178.6	-65.9	0	0	0	0	113.9
491	R	33.5	Very low	32.9	Very low	199 Å²	199	144.2 Å²	144.2	75%	0.751	73%	0.727	S	S	*	*	S	Bend	trans	-84.5	-24.1	-179.2	-124.8	-176.8	-65.6	176.8	1.4	113.4	Y489	Y489-R491 VanDerWaalsContact C-N 3.3Å; Y489-R491 PolarHBondContact O-N 3.21Å
492	R	32.6	Very low	33.9	Very low	219 Å²	219	142.5 Å²	142.5	83%	0.826	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-13.5	-171.6	-164.6	170.9	-95.2	-177.7	-7	114.5
493	T	39.1	Very low	34.8	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-4	179.3	48.3	0	0	0	0	115.2	Y495	T493-Y495 VanDerWaalsContact C-N 3.29Å; T493-Y495 PolarHBondContact O-N 3.33Å
494	K	33.7	Very low	35.8	Very low	170 Å²	170	135.2 Å²	135.2	74%	0.739	71%	0.705	S	S	*	*	S	Bend	trans	-78	-11	178.2	-75.1	-169.9	178.4	-177.7	0	114.5
495	Y	31.5	Very low	37.4	Very low	215 Å²	215	129.1 Å²	129.1	84%	0.843	67%	0.672	S	S	*	*	S	Bend	trans	-141.1	74.7	178.3	-54.5	-75.5	0	0	0	110.5	T493	T493-Y495 VanDerWaalsContact C-N 3.29Å; T493-Y495 PolarHBondContact O-N 3.33Å
496	S	26.6	Very low	39.4	Very low	93 Å²	93	126.6 Å²	126.6	65%	0.65	66%	0.655	S	S	*	*			trans	-148.1	109.9	161	-160	0	0	0	0	110.8
497	T	31.2	Very low	41.9	Very low	125 Å²	125	120.7 Å²	120.7	77%	0.767	62%	0.623	S	S	*	*			trans	-15.9	127.3	162	-42.7	0	0	0	0	114.5	P499	T497-P499 WeakPolarHBondContact O-CD 3.37Å; T497-P499 WeakPolarHBondContact O-CG 3.24Å
498	S	32.2	Very low	44.8	Very low	117 Å²	117	117 Å²	117	82%	0.818	59%	0.593	S	S	*	*			trans	-37.7	96.3	177.2	51.8	0	0	0	0	113.6
499	P	31.1	Very low	47.8	Very low	71 Å²	71	109 Å²	109	46%	0.461	56%	0.556	S	S	.	*			trans	-90.4	139.2	179.8	13.5	4.7	0	0	0	108.9	T497 Q501 Y504	T497-P499 WeakPolarHBondContact O-CD 3.37Å; T497-P499 WeakPolarHBondContact O-CG 3.24Å; P499-Q501 PolarHBondContact O-N 3.44Å; P499-Y504 HydrophobicContact CB-CE2 4.22Å; P499-Y504 HydrophobicContact CG-CE2 4.34Å
500	N	34.7	Very low	50.7	Low	139 Å²	139	99.4 Å²	99.4	74%	0.743	52%	0.518	S	S	*	.			trans	-29.3	104.1	177.5	-80.7	-22.7	0	0	0	113.3	S502	N500-S502 PolarHBondContact O-N 3.37Å
501	Q	43.6	Very low	53.4	Low	139 Å²	139	98.4 Å²	98.4	65%	0.65	51%	0.505	S	S	*	.	H	α-helix	trans	-57.2	-22.1	-173.6	-68.2	178.1	2.8	0	0	113.4	P499	P499-Q501 PolarHBondContact O-N 3.44Å
502	S	47.7	Very low	56.3	Low	109 Å²	109	89.3 Å²	89.3	76%	0.762	47%	0.471	S	S	*	.	H	α-helix	trans	-65.2	-40.5	-173.5	174.5	0	0	0	0	114.3	N500	N500-S502 PolarHBondContact O-N 3.37Å
503	S	47.6	Very low	59.2	Low	90 Å²	90	79.8 Å²	79.8	63%	0.629	44%	0.442	S	S	*	.	H	α-helix	trans	-77.2	-25.4	-175.3	57.2	0	0	0	0	113.2	L505	S503-L505 VanDerWaalsContact C-N 3.32Å; S503-L505 PolarHBondContact O-N 2.85Å
504	Y	48.1	Very low	61.7	Low	134 Å²	134	74.2 Å²	74.2	53%	0.525	41%	0.407	S	S	.	.	H	α-helix	trans	-75.8	-18.9	-179.9	-79.5	-85.3	0	0	0	113.6	P499	P499-Y504 HydrophobicContact CB-CE2 4.22Å; P499-Y504 HydrophobicContact CG-CE2 4.34Å
505	L	64	Low	64.6	Low	24 Å²	24	66.6 Å²	66.6	13%	0.126	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	34.4	-170	-58.7	170.7	0	0	0	112.7	M457 Y460 S503 G507 F715	M457-L505 HydrophobicContact SD-CD2 4.46Å; Y460-L505 HydrophobicContact CD1-CD2 4.25Å; Y460-L505 HydrophobicContact CD2-CD1 3.9Å; Y460-L505 HydrophobicContact CD2-CD2 3.69Å; Y460-L505 HydrophobicContact CD2-CG 4.33Å; Y460-L505 HydrophobicContact CE1-CD1 4.49Å; Y460-L505 HydrophobicContact CE2-CD1 3.34Å; Y460-L505 HydrophobicContact CE2-CD2 4Å; Y460-L505 HydrophobicContact CE2-CG 4.24Å; Y460-L505 HydrophobicContact CG-CD2 3.81Å; S503-L505 VanDerWaalsContact C-N 3.32Å; S503-L505 PolarHBondContact O-N 2.85Å; L505-G507 PolarHBondContact O-N 2.98Å; L505-F715 HydrophobicContact CB-CD1 4.12Å; L505-F715 HydrophobicContact CB-CD2 4.17Å; L505-F715 HydrophobicContact CB-CE1 4.27Å; L505-F715 HydrophobicContact CB-CE2 4.3Å; L505-F715 HydrophobicContact CB-CG 4.08Å; L505-F715 HydrophobicContact CB-CZ 4.36Å; L505-F715 HydrophobicContact CD1-CE1 3.95Å; L505-F715 HydrophobicContact CD1-CZ 3.99Å; L505-F715 HydrophobicContact CD2-CE2 4.1Å; L505-F715 HydrophobicContact CD2-CZ 4.2Å; L505-F715 HydrophobicContact CG-CZ 4.41Å; L505-F715 WeakPolarHBondContact O-CB 3.5Å; L505-F715 WeakPolarHBondContact O-CG 3.43Å
506	S	75.2	Confident	67.7	Low	52 Å²	52	57 Å²	57	36%	0.364	34%	0.337	S	S	.	.			trans	-67.1	130.6	169.8	176.2	0	0	0	0	110.2	R392	R392-S506 PolarHBondContact NH1-O 3.22Å
507	G	86.3	Confident	70.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	32%	0.318	C	S	.	.			trans	-55.9	156.1	-178.2	0	0	0	0	0	114.1	L505 N712 Y716	L505-G507 PolarHBondContact O-N 2.98Å; G507-N712 WeakPolarHBondContact CA-O 3.12Å; G507-Y716 PolarHBondContact O-OH 3.02Å; G507-Y716 VanDerWaalsContact O-OH 3.08Å
508	V	94.3	Very high	73.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.29	C	S	.	.			trans	-140.7	130.2	179	-177	0	0	0	0	110.3	R392 Y394 L450 C453 L709 N712 Y716	R392-V508 HydrophobicContact CB-CG2 4.38Å; Y394-V508 HydrophobicContact CD2-CG1 4.09Å; Y394-V508 HydrophobicContact CE2-CG1 3.98Å; L450-V508 HydrophobicContact CD2-CG1 3.97Å; C453-V508 HydrophobicContact CB-CG2 4.09Å; V508-L709 HydrophobicContact CG1-CD2 4.29Å; V508-N712 HydrophobicContact CB-CB 4.35Å; V508-Y716 VanDerWaalsContact CA-OH 3.28Å; V508-Y716 WeakPolarHBondContact CA-OH 3.42Å; V508-Y716 PolarHBondContact N-OH 3.24Å
509	I	96.7	Very high	76.7	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-114	116.9	169.4	-53.1	174.6	0	0	0	108.2	T269 D272 Q273 F276 R392 N393 Y394 Y716	T269-I509 HydrophobicContact CG2-CD1 3.92Å; T269-I509 WeakPolarHBondContact O-CD1 3.03Å; D272-I509 HydrophobicContact CB-CD1 3.73Å; D272-I509 HydrophobicContact CB-CG2 4.19Å; Q273-I509 HydrophobicContact CB-CD1 3.96Å; F276-I509 HydrophobicContact CB-CG2 4.44Å; R392-I509 PolarHBondContact O-N 3.28Å; N393-I509 HydrophobicContact CB-CB 4.44Å; N393-I509 HydrophobicContact CB-CD1 4.27Å; Y394-I509 WeakPolarHBondContact CB-O 3.4Å; Y394-I509 PolarHBondContact N-O 2.93Å; I509-Y716 HydrophobicContact CD1-CE2 4.01Å; I509-Y716 HydrophobicContact CG1-CE2 3.58Å; I509-Y716 PolarHBondContact N-OH 3.46Å
510	P	96	Very high	79.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.019	24%	0.243	C	C	.	.			trans	-77.1	156.2	178.2	30.8	-33.3	0	0	0	112.5	F276 L450 L512 F515 L709	F276-P510 HydrophobicContact CD2-CG 4.39Å; F276-P510 HydrophobicContact CE1-CG 4.08Å; F276-P510 HydrophobicContact CE2-CG 3.63Å; F276-P510 VanDerWaalsContact CZ-CD 3.47Å; F276-P510 HydrophobicContact CZ-CG 3.45Å; F276-P510 VanDerWaalsContact CZ-CG 3.45Å; L450-P510 HydrophobicContact CD1-CB 3.8Å; L450-P510 HydrophobicContact CD2-CB 3.81Å; L450-P510 HydrophobicContact CG-CB 4.46Å; P510-L512 PolarHBondContact O-N 3.26Å; P510-F515 HydrophobicContact CB-CD2 4.46Å; P510-F515 HydrophobicContact CB-CE2 3.71Å; P510-F515 HydrophobicContact CG-CE2 4.12Å; P510-L709 HydrophobicContact CB-CD1 4.04Å; P510-L709 HydrophobicContact CG-CB 4.49Å; P510-L709 HydrophobicContact CG-CD1 4Å
511	Y	95.8	Very high	82.5	Confident	44 Å²	44	42.2 Å²	42.2	17%	0.173	24%	0.237	C	C	.	.			trans	-73	108.1	157	174.5	-117.4	0	0	0	108.7	Y303 K398 Q443 G513 V514	Y303-Y511 HydrophobicContact CD2-CD2 4.07Å; Y303-Y511 AromaticContact CD2-CE2 3.91Å; Y303-Y511 HydrophobicContact CD2-CE2 3.91Å; Y303-Y511 AromaticContact CE2-CD2 3.73Å; Y303-Y511 HydrophobicContact CE2-CD2 3.73Å; Y303-Y511 AromaticContact CE2-CE2 3.46Å; Y303-Y511 HydrophobicContact CE2-CE2 3.46Å; Y303-Y511 VanDerWaalsContact CE2-CE2 3.46Å; Y303-Y511 AromaticContact CZ-CE2 3.84Å; K398-Y511 HydrophobicContact CB-CD2 4.1Å; K398-Y511 HydrophobicContact CB-CG 4.17Å; K398-Y511 HydrophobicContact CG-CD1 4.19Å; K398-Y511 HydrophobicContact CG-CD2 3.91Å; K398-Y511 HydrophobicContact CG-CE1 4.39Å; K398-Y511 HydrophobicContact CG-CE2 4.11Å; K398-Y511 HydrophobicContact CG-CG 3.96Å; Q443-Y511 VanDerWaalsContact OE1-CD1 3.28Å; Y511-G513 PolarHBondContact O-N 3.47Å; Y511-G513 VanDerWaalsContact O-N 3.11Å; Y511-V514 HydrophobicContact CD1-CG2 4.05Å; Y511-V514 WeakPolarHBondContact O-CG2 3.34Å; Y511-V514 PolarHBondContact O-N 2.87Å
512	L	95.1	Very high	84.7	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.042	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.2	-172.7	-173.9	61.9	0	0	0	113.2	M279 V296 T299 P510 V514 F515 L516	M279-L512 HydrophobicContact CE-CD1 3.79Å; M279-L512 HydrophobicContact SD-CD1 3.8Å; M279-L512 HydrophobicContact SD-CD2 3.44Å; M279-L512 WeakPolarHBondContact SD-CD2 3.23Å; M279-L512 HydrophobicContact SD-CG 4.27Å; V296-L512 HydrophobicContact CG1-CD2 3.99Å; T299-L512 HydrophobicContact CG2-CD2 4.18Å; P510-L512 PolarHBondContact O-N 3.26Å; L512-V514 PolarHBondContact O-N 3.05Å; L512-V514 VanDerWaalsContact O-N 3.14Å; L512-F515 PolarHBondContact O-N 3.13Å; L512-L516 HydrophobicContact CD1-CG 4.46Å; L512-L516 HydrophobicContact CD2-CD1 3.89Å; L512-L516 HydrophobicContact CD2-CG 4.41Å; L512-L516 HydrophobicContact CG-CD1 3.75Å; L512-L516 HydrophobicContact CG-CG 3.89Å; L512-L516 PolarHBondContact O-N 3.46Å
513	G	92.4	Very high	86.9	Confident	20 Å²	20	33.9 Å²	33.9	21%	0.206	19%	0.187	C	C	.	.	H	α-helix	trans	-57.3	-27.4	178.6	0	0	0	0	0	114.6	Y511 F515 S517	Y511-G513 PolarHBondContact O-N 3.47Å; Y511-G513 VanDerWaalsContact O-N 3.11Å; G513-F515 VanDerWaalsContact C-N 3.32Å; G513-F515 PolarHBondContact O-N 2.9Å; G513-S517 WeakPolarHBondContact O-CB 3.28Å; G513-S517 PolarHBondContact O-N 3.05Å; G513-S517 PolarHBondContact O-OG 2.89Å
514	V	92.5	Very high	89	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-45.1	173.3	178.1	0	0	0	0	111.2	Q443 L446 R447 L450 Y511 L512 S517	Q443-V514 HydrophobicContact CB-CG2 4.48Å; L446-V514 HydrophobicContact CD2-CG2 3.88Å; L446-V514 HydrophobicContact CG-CG2 4.35Å; R447-V514 HydrophobicContact CG-CG1 3.5Å; R447-V514 VanDerWaalsContact CG-CG1 3.5Å; R447-V514 PolarHBondContact NH2-O 3.13Å; L450-V514 HydrophobicContact CD1-CG2 4.41Å; Y511-V514 HydrophobicContact CD1-CG2 4.05Å; Y511-V514 WeakPolarHBondContact O-CG2 3.34Å; Y511-V514 PolarHBondContact O-N 2.87Å; L512-V514 PolarHBondContact O-N 3.05Å; L512-V514 VanDerWaalsContact O-N 3.14Å; V514-S517 PolarHBondContact O-OG 3.41Å
515	F	95.1	Very high	91	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.044	19%	0.185	C	C	.	.	H	α-helix	trans	-83.7	-37.6	-175.9	-59.4	-71.2	0	0	0	111.5	L450 P510 L512 G513 S517 D518 L519 I702 N705 I706 L709	L450-F515 HydrophobicContact CB-CZ 4.35Å; L450-F515 HydrophobicContact CD1-CE2 3.96Å; L450-F515 HydrophobicContact CD1-CZ 4.01Å; P510-F515 HydrophobicContact CB-CD2 4.46Å; P510-F515 HydrophobicContact CB-CE2 3.71Å; P510-F515 HydrophobicContact CG-CE2 4.12Å; L512-F515 PolarHBondContact O-N 3.13Å; G513-F515 VanDerWaalsContact C-N 3.32Å; G513-F515 PolarHBondContact O-N 2.9Å; F515-S517 VanDerWaalsContact C-N 3.29Å; F515-S517 PolarHBondContact O-N 2.87Å; F515-D518 PolarHBondContact O-N 3.42Å; F515-D518 VanDerWaalsContact O-N 3.14Å; F515-L519 WeakPolarHBondContact O-CG 3.39Å; F515-L519 PolarHBondContact O-N 3.3Å; F515-I702 HydrophobicContact CB-CG2 3.96Å; F515-I702 HydrophobicContact CD1-CG2 3.97Å; F515-I702 HydrophobicContact CG-CG2 4.41Å; F515-N705 HydrophobicContact CE1-CB 4.23Å; F515-I706 HydrophobicContact CB-CD1 3.77Å; F515-I706 HydrophobicContact CB-CG1 4.06Å; F515-I706 HydrophobicContact CD1-CG1 4.15Å; F515-I706 HydrophobicContact CD2-CD1 4.49Å; F515-I706 HydrophobicContact CD2-CG1 3.99Å; F515-I706 HydrophobicContact CE2-CG1 4.48Å; F515-I706 HydrophobicContact CG-CD1 4.1Å; F515-I706 HydrophobicContact CG-CG1 3.79Å; F515-L709 HydrophobicContact CE2-CD1 3.68Å; F515-L709 HydrophobicContact CZ-CD1 3.47Å; F515-L709 VanDerWaalsContact CZ-CD1 3.47Å
516	L	95	Very high	92.1	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-34.4	177	-64.8	176.8	0	0	0	112	C284 Y287 V296 I300 L512 D518 L519 T520	C284-L516 HydrophobicContact CB-CD2 4.03Å; Y287-L516 HydrophobicContact CD1-CD1 3.9Å; Y287-L516 HydrophobicContact CD1-CD2 4.03Å; Y287-L516 HydrophobicContact CD1-CG 4.42Å; Y287-L516 HydrophobicContact CE1-CD1 3.89Å; V296-L516 HydrophobicContact CG1-CD1 3.97Å; I300-L516 HydrophobicContact CD1-CD1 4.49Å; L512-L516 HydrophobicContact CD1-CG 4.46Å; L512-L516 HydrophobicContact CD2-CD1 3.89Å; L512-L516 HydrophobicContact CD2-CG 4.41Å; L512-L516 HydrophobicContact CG-CD1 3.75Å; L512-L516 HydrophobicContact CG-CG 3.89Å; L512-L516 PolarHBondContact O-N 3.46Å; L516-D518 VanDerWaalsContact C-N 3.29Å; L516-D518 PolarHBondContact O-N 2.88Å; L516-L519 HydrophobicContact CD2-CD1 4.49Å; L516-T520 VanDerWaalsContact O-CB 3.31Å; L516-T520 WeakPolarHBondContact O-CB 3.34Å; L516-T520 PolarHBondContact O-N 3.49Å; L516-T520 PolarHBondContact O-OG1 2.85Å
517	S	92.5	Very high	92.6	Very high	37 Å²	37	34.5 Å²	34.5	26%	0.259	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-40.2	173.8	66.5	0	0	0	0	111.8	R447 G513 V514 F515 T520 L521	R447-S517 PolarHBondContact NH2-OG 2.84Å; G513-S517 WeakPolarHBondContact O-CB 3.28Å; G513-S517 PolarHBondContact O-N 3.05Å; G513-S517 PolarHBondContact O-OG 2.89Å; V514-S517 PolarHBondContact O-OG 3.41Å; F515-S517 VanDerWaalsContact C-N 3.29Å; F515-S517 PolarHBondContact O-N 2.87Å; S517-T520 PolarHBondContact O-N 3.43Å; S517-L521 WeakPolarHBondContact O-CB 3.09Å; S517-L521 PolarHBondContact O-N 2.85Å
518	D	92.1	Very high	92.6	Very high	33 Å²	33	35.8 Å²	35.8	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-72.1	-42.8	-177.8	-61.6	-4.3	0	0	0	111.2	R447 F515 L516 T520 L521 L522 I702	R447-D518 IonicContact CZ-OD1 3.63Å; R447-D518 VanDerWaalsContact CZ-OD1 3.3Å; R447-D518 IonicContact CZ-OD2 3.25Å; R447-D518 VanDerWaalsContact NH1-CG 3.26Å; R447-D518 IonicContact NH1-OD1 2.6Å; R447-D518 PolarHBondContact NH1-OD1 3.15Å; R447-D518 VanDerWaalsContact NH1-OD1 3.1Å; R447-D518 IonicContact NH1-OD2 3.95Å; R447-D518 PolarHBondContact NH1-OD2 3.35Å; R447-D518 IonicContact NH2-OD1 2.93Å; R447-D518 PolarHBondContact NH2-OD1 3.43Å; R447-D518 IonicContact NH2-OD2 3.14Å; F515-D518 PolarHBondContact O-N 3.42Å; F515-D518 VanDerWaalsContact O-N 3.14Å; L516-D518 VanDerWaalsContact C-N 3.29Å; L516-D518 PolarHBondContact O-N 2.88Å; D518-T520 VanDerWaalsContact C-N 3.29Å; D518-T520 PolarHBondContact O-N 2.94Å; D518-L521 PolarHBondContact O-N 2.95Å; D518-L522 WeakPolarHBondContact O-CB 3.4Å; D518-L522 WeakPolarHBondContact O-CG 3.44Å; D518-L522 PolarHBondContact O-N 2.79Å; D518-I702 HydrophobicContact CB-CD1 3.61Å; D518-I702 HydrophobicContact CB-CG1 4.46Å
519	L	94.7	Very high	92.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-40.4	174.2	-69.2	176.1	0	0	0	111.2	C284 L285 A288 F515 L516 L522 H523 E699 I702 L703	C284-L519 HydrophobicContact CB-CD1 3.79Å; L285-L519 HydrophobicContact CD2-CD1 4.33Å; L285-L519 HydrophobicContact CD2-CD2 3.77Å; A288-L519 HydrophobicContact CB-CB 3.71Å; F515-L519 WeakPolarHBondContact O-CG 3.39Å; F515-L519 PolarHBondContact O-N 3.3Å; L516-L519 HydrophobicContact CD2-CD1 4.49Å; L519-L522 PolarHBondContact O-N 3.09Å; L519-H523 WeakPolarHBondContact O-CB 3.38Å; L519-H523 PolarHBondContact O-N 3.09Å; L519-E699 HydrophobicContact CD2-CB 4.1Å; L519-E699 HydrophobicContact CD2-CG 4.22Å; L519-I702 HydrophobicContact CD1-CG2 4.33Å; L519-I702 HydrophobicContact CD2-CB 3.97Å; L519-I702 HydrophobicContact CD2-CD1 3.83Å; L519-I702 HydrophobicContact CD2-CG2 3.95Å; L519-I702 HydrophobicContact CG-CB 4.48Å; L519-I702 HydrophobicContact CG-CD1 4.31Å; L519-I702 HydrophobicContact CG-CG2 3.92Å; L519-L703 HydrophobicContact CD1-CD2 4.14Å
520	T	94.3	Very high	91.8	Very high	47 Å²	47	40.5 Å²	40.5	29%	0.288	22%	0.221	S	C	.	.	H	α-helix	trans	-66.1	-42	176.4	-55.6	0	0	0	0	111.1	L516 S517 D518 H523 H524	L516-T520 VanDerWaalsContact O-CB 3.31Å; L516-T520 WeakPolarHBondContact O-CB 3.34Å; L516-T520 PolarHBondContact O-N 3.49Å; L516-T520 PolarHBondContact O-OG1 2.85Å; S517-T520 PolarHBondContact O-N 3.43Å; D518-T520 VanDerWaalsContact C-N 3.29Å; D518-T520 PolarHBondContact O-N 2.94Å; T520-H523 WeakPolarHBondContact O-CB 3.5Å; T520-H523 PolarHBondContact O-N 3.21Å; T520-H524 PolarHBondContact O-N 3.5Å; T520-H524 PolarHBondContact O-ND1 3.48Å
521	L	93.3	Very high	91	Very high	118 Å²	118	41.9 Å²	41.9	62%	0.618	23%	0.231	S	C	*	.	H	α-helix	trans	-64.6	-41.6	175.6	-177.5	64.1	0	0	0	111.8	S517 D518 H523 H524 S525	S517-L521 WeakPolarHBondContact O-CB 3.09Å; S517-L521 PolarHBondContact O-N 2.85Å; D518-L521 PolarHBondContact O-N 2.95Å; L521-H523 VanDerWaalsContact C-N 3.29Å; L521-H523 PolarHBondContact O-N 3.09Å; L521-H524 PolarHBondContact O-N 2.96Å; L521-S525 VanDerWaalsContact O-CB 3.26Å; L521-S525 WeakPolarHBondContact O-CB 3.42Å; L521-S525 PolarHBondContact O-N 3.5Å; L521-S525 PolarHBondContact O-OG 2.85Å
522	L	91.1	Very high	90	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-36.3	173.4	-74.4	179.4	0	0	0	112.1	D518 L519 S525 S526 K695 R698 E699 I702	D518-L522 WeakPolarHBondContact O-CB 3.4Å; D518-L522 WeakPolarHBondContact O-CG 3.44Å; D518-L522 PolarHBondContact O-N 2.79Å; L519-L522 PolarHBondContact O-N 3.09Å; L522-S525 WeakPolarHBondContact CA-OG 3.3Å; L522-S525 PolarHBondContact O-OG 3.22Å; L522-S526 PolarHBondContact O-N 2.91Å; L522-K695 WeakPolarHBondContact O-CE 3.48Å; L522-R698 HydrophobicContact CD1-CB 3.87Å; L522-R698 HydrophobicContact CD2-CB 4.05Å; L522-E699 HydrophobicContact CB-CG 4.37Å; L522-E699 HydrophobicContact CD1-CG 4.06Å; L522-I702 HydrophobicContact CD1-CD1 3.43Å; L522-I702 VanDerWaalsContact CD1-CD1 3.43Å; L522-I702 HydrophobicContact CG-CD1 4.45Å
523	H	92.6	Very high	88.8	Confident	51 Å²	51	47.5 Å²	47.5	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-45.7	177.7	-179.8	61.4	0	0	0	112	L519 T520 L521 D528 K695	L519-H523 WeakPolarHBondContact O-CB 3.38Å; L519-H523 PolarHBondContact O-N 3.09Å; T520-H523 WeakPolarHBondContact O-CB 3.5Å; T520-H523 PolarHBondContact O-N 3.21Å; L521-H523 VanDerWaalsContact C-N 3.29Å; L521-H523 PolarHBondContact O-N 3.09Å; H523-D528 IonicContact CE1-OD2 2.71Å; H523-K695 PolarHBondContact ND1-NZ 2.86Å; H523-K695 PolarHBondContact O-NZ 3.4Å
524	H	91.9	Very high	87.5	Confident	142 Å²	142	54.6 Å²	54.6	66%	0.657	29%	0.288	S	S	*	.	H	α-helix	trans	-81.1	-28.1	-178.5	-63.2	96.1	0	0	0	113.6	T520 L521 S526	T520-H524 PolarHBondContact O-N 3.5Å; T520-H524 PolarHBondContact O-ND1 3.48Å; L521-H524 PolarHBondContact O-N 2.96Å; H524-S526 VanDerWaalsContact C-N 3.34Å; H524-S526 PolarHBondContact O-N 3.1Å
525	S	90.1	Very high	86	Confident	66 Å²	66	57.8 Å²	57.8	46%	0.462	30%	0.301	S	S	.	.	H	α-helix	trans	-78.2	-14	-178.8	60.4	0	0	0	0	114.2	L521 L522	L521-S525 VanDerWaalsContact O-CB 3.26Å; L521-S525 WeakPolarHBondContact O-CB 3.42Å; L521-S525 PolarHBondContact O-N 3.5Å; L521-S525 PolarHBondContact O-OG 2.85Å; L522-S525 WeakPolarHBondContact CA-OG 3.3Å; L522-S525 PolarHBondContact O-OG 3.22Å
526	S	87.2	Confident	83.7	Confident	24 Å²	24	61 Å²	61	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-153.4	137.8	-179.5	-62.1	0	0	0	0	111.4	L522 H524 K695 R698	L522-S526 PolarHBondContact O-N 2.91Å; H524-S526 VanDerWaalsContact C-N 3.34Å; H524-S526 PolarHBondContact O-N 3.1Å; S526-K695 VanDerWaalsContact O-CD 3.3Å; S526-K695 WeakPolarHBondContact O-CD 3.44Å; S526-K695 WeakPolarHBondContact O-CE 3.3Å; S526-K695 PolarHBondContact O-NZ 3.2Å; S526-R698 PolarHBondContact OG-NH2 3.49Å
527	P	86.1	Confident	81.2	Confident	81 Å²	81	65.7 Å²	65.7	53%	0.526	36%	0.356	S	S	.	.			trans	-73.7	148.5	179.5	31.6	-35.9	0	0	0	111.9	Y529 I530 N692	P527-Y529 VanDerWaalsContact C-N 3.27Å; P527-Y529 WeakPolarHBondContact CB-O 2.94Å; P527-I530 HydrophobicContact CG-CG1 4.35Å; P527-N692 PolarHBondContact O-ND2 2.7Å
528	D	86.5	Confident	78.5	Confident	28 Å²	28	68.2 Å²	68.2	15%	0.15	37%	0.373	C	S	.	.	S	Bend	trans	-65.4	-33	173.3	-74.5	-21.4	0	0	0	111.7	R289 H523 N692 K695 H696	R289-D528 IonicContact CZ-OD1 3.54Å; R289-D528 IonicContact CZ-OD2 2.75Å; R289-D528 IonicContact NE-OD1 3.92Å; R289-D528 IonicContact NE-OD2 3.79Å; R289-D528 PolarHBondContact NE-OD2 2.77Å; R289-D528 IonicContact NH2-OD1 3.81Å; R289-D528 PolarHBondContact NH2-OD1 3.29Å; R289-D528 IonicContact NH2-OD2 3.95Å; H523-D528 IonicContact CE1-OD2 2.71Å; D528-N692 WeakPolarHBondContact O-CB 3.37Å; D528-N692 PolarHBondContact O-N 3.18Å; D528-K695 VanDerWaalsContact OD1-CE 3.25Å; D528-K695 WeakPolarHBondContact OD1-CE 3.26Å; D528-K695 IonicContact OD1-NZ 3.61Å; D528-K695 PolarHBondContact OD1-NZ 3.14Å; D528-H696 IonicContact OD1-CE1 2.63Å
529	Y	88.1	Confident	75.5	Confident	82 Å²	82	72 Å²	72	32%	0.322	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.7	-178.9	-56.1	-87.1	0	0	0	111.4	F58 P527 T682 K689 L690 I691	F58-Y529 HydrophobicContact CB-CE1 4.28Å; F58-Y529 VanDerWaalsContact CB-OH 3.31Å; F58-Y529 WeakPolarHBondContact CB-OH 3.5Å; P527-Y529 VanDerWaalsContact C-N 3.27Å; P527-Y529 WeakPolarHBondContact CB-O 2.94Å; Y529-T682 HydrophobicContact CE1-CG2 4.22Å; Y529-K689 HydrophobicContact CD1-CB 4.39Å; Y529-K689 HydrophobicContact CG-CB 4.49Å; Y529-L690 CarbonylContact C-O 3.59Å; Y529-L690 WeakPolarHBondContact CA-O 3.46Å; Y529-I691 HydrophobicContact CD1-CG1 4.47Å; Y529-I691 HydrophobicContact CE1-CG1 4.17Å
530	I	84.5	Confident	72.6	Confident	21 Å²	21	80.6 Å²	80.6	11%	0.108	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.6	176.5	-59.2	162.6	0	0	0	109.8	V25 P527 Y535 L690 N692	V25-I530 HydrophobicContact CG1-CB 4.1Å; V25-I530 HydrophobicContact CG1-CD1 4.14Å; V25-I530 HydrophobicContact CG2-CD1 3.68Å; P527-I530 HydrophobicContact CG-CG1 4.35Å; I530-Y535 HydrophobicContact CB-CE2 4.33Å; I530-Y535 HydrophobicContact CD1-CE2 4.11Å; I530-Y535 HydrophobicContact CG2-CD2 3.52Å; I530-Y535 HydrophobicContact CG2-CE2 3.37Å; I530-L690 PolarHBondContact N-O 3.04Å; I530-L690 PolarHBondContact O-N 2.92Å; I530-N692 HydrophobicContact CD1-CB 3.79Å; I530-N692 VanDerWaalsContact CD1-CG 3.46Å; I530-N692 HydrophobicContact CG1-CB 4.13Å
531	S	81.2	Confident	69.6	Low	33 Å²	33	85 Å²	85	23%	0.231	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.8	178	-178	0	0	0	0	111.9	S533 K534 D688	S531-S533 PolarHBondContact O-N 2.65Å; S531-S533 PolarHBondContact OG-N 3.15Å; S531-S533 PolarHBondContact OG-OG 3.26Å; S531-K534 WeakPolarHBondContact O-CB 3.25Å; S531-K534 PolarHBondContact O-N 3.01Å; S531-D688 CarbonylContact C-O 3.59Å; S531-D688 VanDerWaalsContact C-O 3.28Å; S531-D688 WeakPolarHBondContact CA-O 3.33Å
532	R	74.8	Confident	66.6	Low	91 Å²	91	86.3 Å²	86.3	34%	0.343	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-58.4	-36.2	175.3	-175.5	171.1	-70.6	-94.2	-0	111.2	E30 K534 Y535 S536 D688 L690	E30-R532 IonicContact OE1-CZ 3.7Å; E30-R532 VanDerWaalsContact OE1-CZ 3.24Å; E30-R532 IonicContact OE1-NH1 2.8Å; E30-R532 PolarHBondContact OE1-NH1 3.04Å; E30-R532 IonicContact OE1-NH2 2.76Å; E30-R532 PolarHBondContact OE1-NH2 2.78Å; E30-R532 IonicContact OE2-CZ 3.48Å; E30-R532 IonicContact OE2-NH1 3.72Å; E30-R532 IonicContact OE2-NH2 2.66Å; E30-R532 PolarHBondContact OE2-NH2 3.27Å; R532-K534 PolarHBondContact O-N 2.86Å; R532-Y535 CarbonylContact O-C 3.6Å; R532-Y535 WeakPolarHBondContact O-CA 3.44Å; R532-Y535 PolarHBondContact O-N 3.33Å; R532-S536 PolarHBondContact O-N 3Å; R532-D688 PolarHBondContact N-O 3.45Å; R532-L690 HydrophobicContact CB-CD1 3.89Å; R532-L690 HydrophobicContact CB-CD2 4.48Å; R532-L690 HydrophobicContact CB-CG 4.11Å; R532-L690 HydrophobicContact CG-CD1 4.1Å
533	S	69.5	Low	63.8	Low	78 Å²	78	93.5 Å²	93.5	55%	0.545	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.6	173.8	67.9	0	0	0	0	113.6	S531 Y535	S531-S533 PolarHBondContact O-N 2.65Å; S531-S533 PolarHBondContact OG-N 3.15Å; S531-S533 PolarHBondContact OG-OG 3.26Å; S533-Y535 VanDerWaalsContact C-N 3.27Å; S533-Y535 PolarHBondContact O-N 2.8Å
534	K	65.5	Low	60.6	Low	169 Å²	169	99.5 Å²	99.5	74%	0.735	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-74.7	-17.4	175.9	-63.6	-175.9	179.3	-176.1	0	113	S531 R532	S531-K534 WeakPolarHBondContact O-CB 3.25Å; S531-K534 PolarHBondContact O-N 3.01Å; R532-K534 PolarHBondContact O-N 2.86Å
535	Y	59.6	Low	57.6	Low	69 Å²	69	99.8 Å²	99.8	27%	0.271	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-19	-172.2	-92.6	-110.6	0	0	0	114.3	K23 V25 I530 R532 S533	K23-Y535 HydrophobicContact CB-CD1 4.11Å; K23-Y535 HydrophobicContact CB-CE1 3.95Å; K23-Y535 HydrophobicContact CD-CD1 3.66Å; K23-Y535 HydrophobicContact CD-CE1 3.85Å; K23-Y535 HydrophobicContact CG-CD1 4.44Å; K23-Y535 HydrophobicContact CG-CE1 4.28Å; V25-Y535 HydrophobicContact CB-CD1 4.05Å; V25-Y535 HydrophobicContact CB-CE1 3.77Å; V25-Y535 HydrophobicContact CG1-CD1 4.33Å; V25-Y535 HydrophobicContact CG1-CE1 4.28Å; V25-Y535 HydrophobicContact CG2-CD1 4.34Å; V25-Y535 HydrophobicContact CG2-CE1 3.55Å; I530-Y535 HydrophobicContact CB-CE2 4.33Å; I530-Y535 HydrophobicContact CD1-CE2 4.11Å; I530-Y535 HydrophobicContact CG2-CD2 3.52Å; I530-Y535 HydrophobicContact CG2-CE2 3.37Å; R532-Y535 CarbonylContact O-C 3.6Å; R532-Y535 WeakPolarHBondContact O-CA 3.44Å; R532-Y535 PolarHBondContact O-N 3.33Å; S533-Y535 VanDerWaalsContact C-N 3.27Å; S533-Y535 PolarHBondContact O-N 2.8Å
536	S	47	Very low	54.7	Low	78 Å²	78	103.6 Å²	103.6	55%	0.545	53%	0.533	S	S	.	.	S	Bend	trans	-54.2	128	172.3	-158.8	0	0	0	0	108	R532 S538	R532-S536 PolarHBondContact O-N 3Å; S536-S538 VanDerWaalsContact C-N 3.26Å; S536-S538 PolarHBondContact O-N 3.24Å
537	P	43.1	Very low	51.7	Low	110 Å²	110	107.5 Å²	107.5	71%	0.714	56%	0.556	S	S	*	*			trans	-62.2	97.8	176.5	0.4	10.5	0	0	0	106.6	N539	P537-N539 PolarHBondContact O-N 2.95Å
538	S	34.6	Very low	48.8	Very low	89 Å²	89	110.8 Å²	110.8	62%	0.622	57%	0.569	S	S	*	*			trans	-47.3	120	159	165.1	0	0	0	0	105.3	S536 K540	S536-S538 VanDerWaalsContact C-N 3.26Å; S536-S538 PolarHBondContact O-N 3.24Å; S538-K540 PolarHBondContact O-N 2.67Å
539	N	31	Very low	46	Very low	114 Å²	114	117.5 Å²	117.5	61%	0.61	61%	0.605	S	S	*	*			trans	-49.5	75.4	167.6	-115.5	-20.6	0	0	0	108.9	P537 N541 K542	P537-N539 PolarHBondContact O-N 2.95Å; N539-N541 PolarHBondContact O-N 3.3Å; N539-K542 PolarHBondContact O-N 3.16Å; N539-K542 VanDerWaalsContact O-N 3.16Å
540	K	33.3	Very low	43	Very low	179 Å²	179	122.4 Å²	122.4	78%	0.778	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-7.1	174.8	-88.1	-168.7	171.6	-169.7	0	111.2	S538	S538-K540 PolarHBondContact O-N 2.67Å
541	N	30.8	Very low	40.2	Very low	139 Å²	139	131 Å²	131	74%	0.743	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	13.8	174.5	-65.8	4.4	0	0	0	114.4	N539	N539-N541 PolarHBondContact O-N 3.3Å
542	K	31.2	Very low	37.5	Very low	147 Å²	147	135 Å²	135	64%	0.639	70%	0.695	S	S	*	*	S	Bend	trans	-118.2	-5	173.3	-82.6	-168.2	176.1	-174.7	0	116.7	N539	N539-K542 PolarHBondContact O-N 3.16Å; N539-K542 VanDerWaalsContact O-N 3.16Å
543	Q	30.5	Very low	35	Very low	173 Å²	173	135.2 Å²	135.2	81%	0.808	72%	0.717	S	S	*	*	S	Bend	trans	-97.2	-6.4	176.9	-88.8	176.8	-10.4	0	0	115.3
544	E	25.4	Very low	32.8	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.822	73%	0.733	S	S	*	*	S	Bend	trans	-99.8	0.3	177.4	-93	-179.6	170.4	0	0	115.7
545	I	28.7	Very low	30.7	Very low	148 Å²	148	136.3 Å²	136.3	76%	0.759	73%	0.729	S	S	*	*	S	Bend	trans	-106.2	-5.6	178.3	-57.8	179.3	0	0	0	113
546	I	29.5	Very low	28.8	Very low	146 Å²	146	137.8 Å²	137.8	75%	0.749	75%	0.749	S	S	*	*	S	Bend	trans	-117.1	37.3	-173.3	-36	-178.8	0	0	0	113.6
547	T	25.5	Very low	27.6	Very low	107 Å²	107	139.8 Å²	139.8	66%	0.656	76%	0.759	S	S	*	*	S	Bend	trans	-121.8	-1	170.5	27.4	0	0	0	0	115.6
548	N	25.4	Very low	26.5	Very low	150 Å²	150	140.9 Å²	140.9	80%	0.802	76%	0.759	S	S	*	*	S	Bend	trans	-115.9	50.5	177.2	-76.2	-4.7	0	0	0	113.4
549	N	27.5	Very low	25.9	Very low	169 Å²	169	142 Å²	142	90%	0.904	76%	0.762	S	S	*	*			trans	-155.8	58.9	157.6	-88.9	-29.6	0	0	0	110.8
550	Q	24.9	Very low	25.7	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	77%	0.771	S	S	*	*			trans	-97.3	99.6	155.8	-72.5	-163.1	5.1	0	0	108.4
551	K	24.5	Very low	25.1	Very low	201 Å²	201	139.9 Å²	139.9	87%	0.874	77%	0.768	S	S	*	*			trans	171.3	103.8	148.1	-101.7	168.9	-179.8	-179.4	0	109.8
552	S	25.8	Very low	24.9	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	77%	0.77	S	S	*	*				160.3	98.4	129.9	47.3	0	0	0	0	107.9	L554	S552-L554 PolarHBondContact O-N 2.88Å
553	A	21	Very low	24.7	Very low	96 Å²	96	138.7 Å²	138.7	79%	0.793	77%	0.771	S	S	*	*			trans	-68.5	118.6	159	0	0	0	0	0	107.3
554	L	23.1	Very low	24.3	Very low	167 Å²	167	137.1 Å²	137.1	87%	0.874	77%	0.769	S	S	*	*			trans	-137.1	103.8	156.9	-140.2	84.1	0	0	0	107.8	S552	S552-L554 PolarHBondContact O-N 2.88Å
555	P	21.6	Very low	24.4	Very low	102 Å²	102	136.3 Å²	136.3	66%	0.662	77%	0.77	S	S	*	*			trans	-86	149.4	171	32.8	-27.4	0	0	0	109.8
556	S	19.5	Very low	24.2	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	77%	0.77	S	S	*	*			trans	58.3	117.2	156.3	50.9	0	0	0	0	117.3
557	T	21.8	Very low	24.2	Very low	121 Å²	121	136.3 Å²	136.3	74%	0.742	77%	0.771	S	S	*	*				172.7	133.6	117.9	28.1	0	0	0	0	112.3
558	N	21.8	Very low	24	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	77%	0.773	S	S	*	*			trans	63.3	110.5	136	-54.2	-11.4	0	0	0	119.1
559	T	20.9	Very low	24.2	Very low	113 Å²	113	137.1 Å²	137.1	69%	0.693	77%	0.772	S	S	*	*				75.7	103.3	89.6	-47.2	0	0	0	0	112.9
560	T	26.1	Very low	24.1	Very low	130 Å²	130	136 Å²	136	80%	0.798	77%	0.765	S	S	*	*			trans	-169.5	92.1	145.7	22.6	0	0	0	0	106.8
561	T	20.7	Very low	24.2	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.724	77%	0.765	S	S	*	*				39.9	91	86.7	59.7	0	0	0	0	114.7
562	I	28	Very low	24.3	Very low	153 Å²	153	132 Å²	132	79%	0.785	76%	0.758	S	S	*	*			trans	-148	101.6	147.8	-64.8	-167.2	0	0	0	108.7
563	T	25.9	Very low	24.1	Very low	107 Å²	107	132 Å²	132	66%	0.656	76%	0.758	S	S	*	*			trans	42.9	111.8	137	67.3	0	0	0	0	118.6
564	D	22.5	Very low	24.2	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	75%	0.754	S	S	*	*				66	109.3	88.9	-66.2	-37.2	0	0	0	113.2
565	N	28.2	Very low	24.3	Very low	158 Å²	158	130.8 Å²	130.8	85%	0.845	75%	0.752	S	S	*	*				179.7	107.4	114.8	-83.4	-27.5	0	0	0	110.7
566	N	24	Very low	24.3	Very low	144 Å²	144	134.2 Å²	134.2	77%	0.77	76%	0.763	S	S	*	*			trans	-49.3	130.8	154.8	-88.7	-36.5	0	0	0	110.9
567	I	28.8	Very low	24.3	Very low	150 Å²	150	135 Å²	135	77%	0.769	77%	0.768	S	S	*	*			trans	-143.3	108.1	132.9	-60.9	-172.2	0	0	0	107.2
568	N	23	Very low	24.4	Very low	129 Å²	129	133.7 Å²	133.7	69%	0.69	77%	0.77	S	S	*	*			trans	-72.9	121.8	161.1	-73.1	-31.2	0	0	0	107.6
569	D	27.8	Very low	24.5	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	78%	0.778	S	S	*	*			trans	-113.9	97.7	155.5	-87.5	-37.2	0	0	0	108.2	I571	D569-I571 PolarHBondContact O-N 2.76Å; D569-I571 VanDerWaalsContact O-N 3.17Å
570	D	25.8	Very low	24.5	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	79%	0.785	S	S	*	*			trans	-63.5	97.8	165	-72.9	-50.1	0	0	0	109.4
571	I	28.2	Very low	24.3	Very low	167 Å²	167	138.7 Å²	138.7	86%	0.856	79%	0.785	S	S	*	*			trans	-92.8	106	159.3	-64.5	-178.4	0	0	0	108.4	D569	D569-I571 PolarHBondContact O-N 2.76Å; D569-I571 VanDerWaalsContact O-N 3.17Å
572	N	24.9	Very low	24.5	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	79%	0.794	S	S	*	*			trans	-38.8	135.7	175.4	-79.1	-58	0	0	0	115.6	S574	N572-S574 PolarHBondContact O-N 2.96Å
573	S	21.6	Very low	24.1	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	79%	0.794	S	S	*	*			trans	-56.4	121.6	154.2	56.2	0	0	0	0	112.1
574	S	23.1	Very low	23.9	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	81%	0.805	S	S	*	*			trans	-163.8	147.7	145.8	61.9	0	0	0	0	108.6	N572	N572-S574 PolarHBondContact O-N 2.96Å
575	V	26.1	Very low	23.9	Very low	136 Å²	136	148 Å²	148	82%	0.824	81%	0.81	S	S	*	*			trans	91.5	49.1	-179.2	-155.4	0	0	0	0	114.9
576	I	20.8	Very low	23.5	Very low	174 Å²	174	145.8 Å²	145.8	89%	0.892	81%	0.807	S	S	*	*			trans	-125.9	86.5	144	-60	178.5	0	0	0	106.8
577	S	20.3	Very low	23.4	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	81%	0.812	S	S	*	*			trans	-177.2	72.1	163.5	55.9	0	0	0	0	112
578	A	24	Very low	23	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	82%	0.818	S	S	*	*			trans	-162.7	32.8	167.9	0	0	0	0	0	116.2
579	I	23.7	Very low	22.9	Very low	174 Å²	174	149.1 Å²	149.1	89%	0.892	82%	0.818	S	S	*	*			trans	-138.8	68.5	161.7	-50.3	178	0	0	0	108.8
580	N	20.1	Very low	22.6	Very low	155 Å²	155	148.9 Å²	148.9	83%	0.829	82%	0.822	S	S	*	*			trans	-116	103.4	158.4	-94.8	-17.2	0	0	0	105.4
581	N	23.3	Very low	22.5	Very low	151 Å²	151	150.6 Å²	150.6	81%	0.807	82%	0.822	S	S	*	*			trans	170.7	90.3	151.2	-88	-17.9	0	0	0	110.3
582	T	24.5	Very low	22.2	Very low	149 Å²	149	148.9 Å²	148.9	91%	0.914	82%	0.815	S	S	*	*			trans	-163.9	86.9	139	28.5	0	0	0	0	108.5	Y584	T582-Y584 PolarHBondContact O-N 3.18Å
583	N	19.7	Very low	22.3	Very low	147 Å²	147	147.5 Å²	147.5	79%	0.786	81%	0.813	S	S	*	*			trans	-55.8	122.5	157.7	-76.3	-45.8	0	0	0	109.3
584	Y	21	Very low	22.5	Very low	226 Å²	226	151.7 Å²	151.7	89%	0.886	81%	0.813	S	S	*	*			trans	-167.6	137.6	139.7	-95.4	-71	0	0	0	108.9	T582	T582-Y584 PolarHBondContact O-N 3.18Å
585	F	21.8	Very low	22.6	Very low	193 Å²	193	149.6 Å²	149.6	85%	0.846	81%	0.807	S	S	*	*			trans	88.5	67.8	-176.7	-66.9	-78.8	0	0	0	118.7
586	S	21	Very low	22.5	Very low	112 Å²	112	151 Å²	151	78%	0.783	81%	0.808	S	S	*	*				6.2	108.6	125.2	-4	0	0	0	0	118.5
587	K	20.7	Very low	22.6	Very low	204 Å²	204	150.5 Å²	150.5	89%	0.887	81%	0.806	S	S	*	*			trans	-11.1	123.2	140.4	-65.3	169.2	177.4	173.9	0	116.5
588	Q	20.3	Very low	22.9	Very low	191 Å²	191	153.5 Å²	153.5	89%	0.893	80%	0.804	S	S	*	*			trans	-137	96.2	135.7	-149	168.1	27.5	0	0	109.1	V590	Q588-V590 PolarHBondContact O-N 3.26Å
589	S	21.4	Very low	22.7	Very low	98 Å²	98	157 Å²	157	69%	0.685	81%	0.809	S	S	*	*			trans	-75.7	114.4	174.5	73.3	0	0	0	0	109.3	K591	S589-K591 PolarHBondContact O-N 2.9Å
590	V	22	Very low	22.6	Very low	141 Å²	141	156 Å²	156	86%	0.855	81%	0.805	S	S	*	*			trans	-78.1	106.8	162	177.4	0	0	0	0	107	Q588 N592	Q588-V590 PolarHBondContact O-N 3.26Å; V590-N592 PolarHBondContact O-N 2.68Å
591	K	23.5	Very low	22.6	Very low	179 Å²	179	156.4 Å²	156.4	78%	0.778	80%	0.801	S	S	*	*			trans	-62	114.9	173.4	-74.2	177.1	174.3	178.2	0	109.1	S589 P593	S589-K591 PolarHBondContact O-N 2.9Å; K591-P593 WeakPolarHBondContact O-CD 3.08Å
592	N	22.8	Very low	22.6	Very low	131 Å²	131	156.5 Å²	156.5	70%	0.701	80%	0.8	S	S	*	*			trans	-66.9	115.1	166.2	-174.8	2.2	0	0	0	108.9	V590	V590-N592 PolarHBondContact O-N 2.68Å
593	P	25.7	Very low	22.4	Very low	108 Å²	108	153.2 Å²	153.2	70%	0.701	78%	0.783	S	S	*	*			trans	-92.6	9	-170.5	36.1	-32	0	0	0	114	K591 G595	K591-P593 WeakPolarHBondContact O-CD 3.08Å; P593-G595 PolarHBondContact O-N 2.81Å
594	Y	27.1	Very low	22.5	Very low	204 Å²	204	153.3 Å²	153.3	80%	0.8	78%	0.784	S	S	*	*			trans	-82	73.5	175.6	-64.9	-74.2	0	0	0	110.8
595	G	25	Very low	22.8	Very low	58 Å²	58	151.1 Å²	151.1	60%	0.598	78%	0.782	S	S	*	*			trans	-59.9	131.7	167	0	0	0	0	0	110.7	P593 I597	P593-G595 PolarHBondContact O-N 2.81Å; G595-I597 PolarHBondContact O-N 3.42Å
596	I	23.5	Very low	22.8	Very low	165 Å²	165	149.4 Å²	149.4	85%	0.846	78%	0.78	S	S	*	*			trans	-52.5	101.2	173.6	-61.7	160.6	0	0	0	109.1	K598	I596-K598 PolarHBondContact O-N 3Å
597	I	23.9	Very low	22.8	Very low	165 Å²	165	147 Å²	147	85%	0.846	77%	0.773	S	S	*	*			trans	-85.4	106.9	170.8	-58.9	-179.1	0	0	0	107.4	G595 L599	G595-I597 PolarHBondContact O-N 3.42Å; I597-L599 PolarHBondContact O-N 2.62Å
598	K	24.8	Very low	22.9	Very low	178 Å²	178	144.4 Å²	144.4	77%	0.774	77%	0.769	S	S	*	*			trans	-58.6	128.4	171.1	-78.2	177.6	174	177.7	0	110	I596 L600	I596-K598 PolarHBondContact O-N 3Å; K598-L600 PolarHBondContact O-N 2.73Å; K598-L600 VanDerWaalsContact O-N 3.07Å
599	L	20	Very low	23	Very low	169 Å²	169	145.3 Å²	145.3	89%	0.885	77%	0.77	S	S	*	*			trans	-57.6	100.9	171.5	-169.2	70.7	0	0	0	109.6	I597 H601	I597-L599 PolarHBondContact O-N 2.62Å; L599-H601 PolarHBondContact O-N 2.82Å
600	L	22.3	Very low	23	Very low	152 Å²	152	147.5 Å²	147.5	80%	0.796	78%	0.779	S	S	*	*			trans	-87.1	108.7	171.6	-95.6	157	0	0	0	109	K598 I602	K598-L600 PolarHBondContact O-N 2.73Å; K598-L600 VanDerWaalsContact O-N 3.07Å; L600-I602 PolarHBondContact O-N 3.09Å
601	H	21.1	Very low	23.1	Very low	164 Å²	164	151.5 Å²	151.5	76%	0.759	78%	0.779	S	S	*	*			trans	-59.9	110.4	167.7	-135.4	-94.5	0	0	0	108.8	L599	L599-H601 PolarHBondContact O-N 2.82Å
602	I	22.1	Very low	23	Very low	152 Å²	152	148 Å²	148	78%	0.779	78%	0.777	S	S	*	*			trans	-132.4	86.8	163.2	-55.1	177.8	0	0	0	106.5	L600	L600-I602 PolarHBondContact O-N 3.09Å
603	S	19.7	Very low	22.9	Very low	80 Å²	80	148.1 Å²	148.1	56%	0.559	78%	0.783	S	S	*	*			trans	-80.1	144.5	157.4	-60.2	0	0	0	0	108
604	D	22.5	Very low	22.8	Very low	149 Å²	149	148.5 Å²	148.5	80%	0.797	79%	0.786	S	S	*	*			trans	68	90.5	162	-51.5	-24.4	0	0	0	117.1
605	Q	26.6	Very low	22.5	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	79%	0.787	S	S	*	*			trans	-154.1	134.2	133.5	-76.2	-141.8	-0.5	0	0	112.4
606	L	22.7	Very low	22.3	Very low	157 Å²	157	151.7 Å²	151.7	82%	0.822	80%	0.802	S	S	*	*			trans	74.8	88.3	156.9	-101.5	64.7	0	0	0	119
607	G	20.8	Very low	22.1	Very low	60 Å²	60	148.3 Å²	148.3	62%	0.619	79%	0.793	S	S	*	*			trans	-64.2	155.9	136.6	0	0	0	0	0	111.3
608	N	22.6	Very low	22	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	79%	0.793	S	S	*	*			trans	114.6	77.1	170.1	-59.5	-12.8	0	0	0	114.5
609	F	23.1	Very low	21.9	Very low	210 Å²	210	145 Å²	145	92%	0.921	80%	0.795	S	S	*	*			trans	-141.3	77.1	146.7	-100.1	-77.1	0	0	0	109.5	R611	F609-R611 PolarHBondContact O-N 3.13Å
610	T	21	Very low	22	Very low	143 Å²	143	144 Å²	144	88%	0.877	80%	0.795	S	S	*	*			trans	-77.8	97.2	160.5	40.8	0	0	0	0	107.8
611	R	24	Very low	21.9	Very low	225 Å²	225	140.7 Å²	140.7	85%	0.849	79%	0.79	S	S	*	*			trans	-100.3	107.7	173.1	-159.8	172.1	-174.7	-179.8	0.7	109.5	F609	F609-R611 PolarHBondContact O-N 3.13Å
612	S	22.4	Very low	22.1	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	79%	0.791	S	S	*	*			trans	-26.8	125.1	167.4	52.5	0	0	0	0	116
613	T	20.1	Very low	22	Very low	135 Å²	135	136.6 Å²	136.6	83%	0.828	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.9	134.1	160.6	39.4	0	0	0	0	110.6
614	P	24.2	Very low	22.1	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-86	130.1	-179.2	32.2	-29.2	0	0	0	111.7
615	D	20.9	Very low	22.1	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.4	131.9	171.9	-96.9	-38.2	0	0	0	111.8
616	L	19.9	Very low	21.8	Very low	172 Å²	172	133.7 Å²	133.7	90%	0.901	79%	0.794	S	S	*	*			trans	-127.3	79.1	175	-100.5	157.5	0	0	0	108
617	S	18.7	Very low	21.8	Very low	95 Å²	95	134.5 Å²	134.5	66%	0.664	79%	0.793	S	S	*	*			trans	-158.8	61.6	176.1	57.2	0	0	0	0	113.1
618	V	22.5	Very low	21.8	Very low	139 Å²	139	136.4 Å²	136.4	84%	0.842	80%	0.797	S	S	*	*			trans	-145.7	115.1	158.3	-177	0	0	0	0	107.6
619	V	23.4	Very low	21.9	Very low	134 Å²	134	136.4 Å²	136.4	81%	0.812	80%	0.798	S	S	*	*			trans	170.1	88.5	138.3	174.6	0	0	0	0	106.2
620	V	20.5	Very low	21.8	Very low	147 Å²	147	133 Å²	133	89%	0.891	79%	0.789	S	S	*	*			trans	-136.5	141.1	159.1	173.9	0	0	0	0	105.8
621	A	21.2	Very low	21.9	Very low	83 Å²	83	133 Å²	133	69%	0.686	78%	0.783	S	S	*	*			trans	81.9	120.4	-166.6	0	0	0	0	0	112
622	S	26.2	Very low	21.8	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	78%	0.779	S	S	*	*				-152.9	142.2	55.8	-57.6	0	0	0	0	113.5
623	S	18.6	Very low	21.9	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	78%	0.781	S	S	*	*			trans	-54.1	138.7	161.5	49.7	0	0	0	0	114.1
624	S	23.2	Very low	22	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	78%	0.784	S	S	*	*			trans	-171.1	103.9	148.6	42.3	0	0	0	0	108.5
625	T	21.5	Very low	22.1	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	79%	0.786	S	S	*	*				67.2	112.9	108.1	51.9	0	0	0	0	115.9
626	V	19.8	Very low	22	Very low	123 Å²	123	132.1 Å²	132.1	75%	0.745	78%	0.783	S	S	*	*			trans	53	109.3	132.1	-171.7	0	0	0	0	116.8
627	Q	22.9	Very low	21.9	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	78%	0.778	S	S	*	*				-178	131.2	106.5	-137	130.8	-25.5	0	0	109.7
628	S	20.4	Very low	22.1	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	79%	0.79	S	S	*	*			trans	-60.8	138.2	161.8	49.4	0	0	0	0	110.5
629	D	25.1	Very low	22.2	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	79%	0.788	S	S	*	*			trans	-160.3	155	136	-98.4	-30.7	0	0	0	113.8
630	N	21.6	Very low	22.2	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	79%	0.786	S	S	*	*			trans	-80.2	166.4	-158.4	-71.8	-60.5	0	0	0	115.5
631	N	22.7	Very low	22.2	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	78%	0.781	S	S	*	*			trans	79	101.9	143.9	-71.5	-19.3	0	0	0	120.6
632	S	21.1	Very low	22.2	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	79%	0.785	S	S	*	*				22.4	111.9	114.6	159.2	0	0	0	0	117.4
633	T	25.3	Very low	22.2	Very low	125 Å²	125	146 Å²	146	77%	0.767	78%	0.784	S	S	*	*			trans	-158.2	119.8	132.4	-8	0	0	0	0	111.7	Q635	T633-Q635 PolarHBondContact O-N 2.57Å
634	K	22	Very low	22.3	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.896	78%	0.776	S	S	*	*			trans	-63.4	121.9	159.7	-77.7	172.2	173.6	173.9	0	108.2
635	Q	26.5	Very low	22.2	Very low	168 Å²	168	147.3 Å²	147.3	79%	0.785	78%	0.781	S	S	*	*			trans	-136	116	156.4	-77.5	-156.4	-10.3	0	0	111	T633	T633-Q635 PolarHBondContact O-N 2.57Å
636	S	19.5	Very low	22.4	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	78%	0.783	S	S	*	*			trans	-102.5	103.2	169.8	47.6	0	0	0	0	108.5
637	W	17.8	Very low	22.5	Very low	214 Å²	214	149.8 Å²	149.8	81%	0.811	79%	0.79	S	S	*	*			trans	-147.3	99.7	167.5	-76.2	79	0	0	0	107.7
638	K	21.9	Very low	22.5	Very low	208 Å²	208	146.5 Å²	146.5	90%	0.904	79%	0.793	S	S	*	*				46.4	101.4	102.6	-79.1	-173	176.6	177.6	0	114.5
639	L	24.5	Very low	22.6	Very low	153 Å²	153	147.4 Å²	147.4	80%	0.801	80%	0.799	S	S	*	*			trans	-106.1	125	160.9	-119.1	87.1	0	0	0	110.2
640	L	23.7	Very low	22.9	Very low	148 Å²	148	145.8 Å²	145.8	78%	0.775	80%	0.797	S	S	*	*			trans	53.4	104.3	145.6	-58	167.5	0	0	0	118.8
641	K	20.3	Very low	23.1	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.796	80%	0.801	S	S	*	*				67.3	121.2	70	-85.1	-170.1	175.8	178.2	0	116.8
642	N	21	Very low	22.9	Very low	141 Å²	141	148.7 Å²	148.7	75%	0.754	81%	0.807	S	S	*	*			trans	70.1	133.1	144.8	-63.5	-0.4	0	0	0	116.8
643	V	25.8	Very low	23	Very low	128 Å²	128	148.3 Å²	148.3	78%	0.776	80%	0.802	S	S	*	*				-166.7	108.2	63.2	163.6	0	0	0	0	105.8
644	S	21.4	Very low	22.7	Very low	94 Å²	94	147.2 Å²	147.2	66%	0.657	80%	0.799	S	S	*	*				62.9	123.8	94.1	73.5	0	0	0	0	118.5
645	N	20.9	Very low	22.6	Very low	153 Å²	153	144 Å²	144	82%	0.818	80%	0.797	S	S	*	*			trans	70.3	136.6	147.9	-69.9	-3.4	0	0	0	117.6
646	T	26.7	Very low	22.5	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	80%	0.798	S	S	*	*			cis	-155.6	146.6	38.4	43.2	0	0	0	0	111.8
647	N	21.5	Very low	22.6	Very low	169 Å²	169	140.9 Å²	140.9	90%	0.904	80%	0.799	S	S	*	*			trans	-65	138.5	166.8	-66.3	-40.3	0	0	0	112.4
648	A	22.8	Very low	22.9	Very low	105 Å²	105	137.4 Å²	137.4	87%	0.868	80%	0.797	S	S	*	*			trans	-152	115.3	149.5	0	0	0	0	0	109.8
649	S	22.9	Very low	23	Very low	118 Å²	118	138 Å²	138	83%	0.825	79%	0.793	S	S	*	*			trans	-88.8	172.9	178.9	-109.3	0	0	0	0	111.1
650	P	30.9	Very low	22.9	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	79%	0.791	S	S	*	*			trans	-100	152	-133.3	37.8	-36.1	0	0	0	114.8
651	V	25.2	Very low	23.1	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	79%	0.793	S	S	*	*			trans	-122.8	118.2	169.9	179.7	0	0	0	0	109.7
652	K	20.3	Very low	23.2	Very low	207 Å²	207	136 Å²	136	90%	0.9	79%	0.793	S	S	*	*			trans	-83.1	132	163	-88	178	173.2	176.8	0	108.8
653	P	22.5	Very low	23.3	Very low	102 Å²	102	136.2 Å²	136.2	66%	0.662	79%	0.793	S	S	*	*				-139.9	120.4	129.4	18.2	3.7	0	0	0	110.4
654	S	19.4	Very low	23.1	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	80%	0.796	S	S	*	*				60.8	108.6	94.3	68.7	0	0	0	0	115.8
655	V	19.6	Very low	23.3	Very low	139 Å²	139	142.3 Å²	142.3	84%	0.842	81%	0.806	S	S	*	*			trans	64.2	109.7	139.2	-169.6	0	0	0	0	118.5
656	S	24.5	Very low	23.4	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	81%	0.809	S	S	*	*				-172.6	131.4	122.2	38.4	0	0	0	0	109.9
657	A	21	Very low	23.3	Very low	96 Å²	96	139.8 Å²	139.8	79%	0.793	80%	0.804	S	S	*	*			trans	-76.8	131.2	169.2	0	0	0	0	0	108.7
658	D	23.8	Very low	23.4	Very low	141 Å²	141	143 Å²	143	75%	0.754	80%	0.803	S	S	*	*			trans	-172.2	144	131.4	-120.9	-23.5	0	0	0	113.2
659	R	25.4	Very low	23.6	Very low	222 Å²	222	143.9 Å²	143.9	84%	0.838	80%	0.798	S	S	*	*			trans	73	100	153	-69	175.6	177.1	-172.9	-3.8	120.9
660	N	21.4	Very low	23.7	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	80%	0.798	S	S	*	*			trans	-14.8	118.9	136.6	-76.8	-23.7	0	0	0	115.8
661	D	27.5	Very low	23.4	Very low	153 Å²	153	150.8 Å²	150.8	82%	0.818	80%	0.801	S	S	*	*			trans	-143.1	103.3	136.6	-90.5	-34.7	0	0	0	108.8	I663	D661-I663 PolarHBondContact O-N 3.26Å
662	N	22	Very low	23.3	Very low	150 Å²	150	152.1 Å²	152.1	80%	0.802	80%	0.798	S	S	*	*			trans	-73.1	85.2	177.2	-79.3	-43.7	0	0	0	109.8	Q664	N662-Q664 PolarHBondContact O-N 3.47Å
663	I	23.8	Very low	23.5	Very low	145 Å²	145	152 Å²	152	74%	0.744	80%	0.797	S	S	*	*			trans	-77.5	106.4	167.2	-62.6	175.2	0	0	0	108.1	D661 L665	D661-I663 PolarHBondContact O-N 3.26Å; I663-L665 PolarHBondContact O-N 3.11Å
664	Q	22.7	Very low	23.6	Very low	183 Å²	183	155.2 Å²	155.2	86%	0.855	80%	0.801	S	S	*	*			trans	-57.3	101.4	168.9	-83.5	177.6	-15.4	0	0	110.5	N662 N666	N662-Q664 PolarHBondContact O-N 3.47Å; Q664-N666 PolarHBondContact O-N 3.49Å
665	L	24.1	Very low	23.7	Very low	166 Å²	166	154.1 Å²	154.1	87%	0.869	81%	0.806	S	S	*	*			trans	-80.2	105.5	166.4	-84.5	162.6	0	0	0	109.7	I663 G667	I663-L665 PolarHBondContact O-N 3.11Å; L665-G667 VanDerWaalsContact C-N 3.29Å; L665-G667 PolarHBondContact O-N 2.95Å
666	N	22.6	Very low	24.1	Very low	164 Å²	164	151.5 Å²	151.5	88%	0.877	79%	0.787	S	S	*	*			trans	-60.2	82.9	166.6	-92.5	-18.7	0	0	0	111.3	Q664 R668	Q664-N666 PolarHBondContact O-N 3.49Å; N666-R668 PolarHBondContact O-N 3.3Å
667	G	26.3	Very low	24.4	Very low	66 Å²	66	152 Å²	152	68%	0.68	79%	0.79	S	S	*	*			trans	-79.3	85.7	167.5	0	0	0	0	0	111.1	L665 V669	L665-G667 VanDerWaalsContact C-N 3.29Å; L665-G667 PolarHBondContact O-N 2.95Å; G667-V669 VanDerWaalsContact C-N 3.31Å; G667-V669 PolarHBondContact O-N 2.97Å
668	R	21.8	Very low	24.9	Very low	238 Å²	238	158.4 Å²	158.4	90%	0.898	79%	0.794	S	S	*	*			trans	-68	82.4	175.4	-170.3	177.6	-172.3	165.8	1.8	110.5	N666 K670	N666-R668 PolarHBondContact O-N 3.3Å; R668-K670 PolarHBondContact O-N 3.05Å; R668-K670 VanDerWaalsContact O-N 3.16Å
669	V	27.4	Very low	25.6	Very low	123 Å²	123	157.3 Å²	157.3	75%	0.745	78%	0.779	S	S	*	*			trans	-70.6	108.7	170.9	-179.4	0	0	0	0	108.2	G667 K671	G667-V669 VanDerWaalsContact C-N 3.31Å; G667-V669 PolarHBondContact O-N 2.97Å; V669-K671 VanDerWaalsContact C-N 3.34Å; V669-K671 PolarHBondContact O-N 3.16Å
670	K	24.4	Very low	26.4	Very low	191 Å²	191	150.9 Å²	150.9	83%	0.83	76%	0.759	S	S	*	*			trans	-59.6	93	169.9	-71.8	177.1	177.7	176	0	108.7	R668 E672	R668-K670 PolarHBondContact O-N 3.05Å; R668-K670 VanDerWaalsContact O-N 3.16Å; K670-E672 PolarHBondContact O-N 2.79Å; K670-E672 VanDerWaalsContact O-N 3.15Å
671	K	24.6	Very low	27.7	Very low	190 Å²	190	147 Å²	147	83%	0.826	74%	0.743	S	S	*	*			trans	-72.2	101.3	162.6	-80.5	-175.8	175.2	179	0	107.3	V669 K673	V669-K671 VanDerWaalsContact C-N 3.34Å; V669-K671 PolarHBondContact O-N 3.16Å; K671-K673 PolarHBondContact O-N 3.22Å
672	E	24.3	Very low	28.9	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	71%	0.707	S	S	*	*			trans	-55.5	109.1	168.2	-69.8	-177.7	159.5	0	0	108.4	K670 F674	K670-E672 PolarHBondContact O-N 2.79Å; K670-E672 VanDerWaalsContact O-N 3.15Å; E672-F674 PolarHBondContact O-N 3.37Å
673	K	23.5	Very low	30.5	Very low	203 Å²	203	134.4 Å²	134.4	88%	0.883	68%	0.676	S	S	*	*			trans	-71.1	94.5	175.1	-73.1	178.7	175.6	-179.9	0	107.6	K671 G675	K671-K673 PolarHBondContact O-N 3.22Å; K673-G675 PolarHBondContact O-N 3.44Å
674	F	24.8	Very low	31.9	Very low	170 Å²	170	132 Å²	132	75%	0.746	66%	0.664	S	S	*	*			trans	-57.6	122	161.7	-75.9	-83.6	0	0	0	107.9	E672 L676	E672-F674 PolarHBondContact O-N 3.37Å; F674-L676 PolarHBondContact O-N 2.96Å
675	G	22.9	Very low	33.1	Very low	79 Å²	79	125.7 Å²	125.7	81%	0.814	64%	0.64	S	S	*	*			trans	-67	86.4	-174.7	0	0	0	0	0	112.3	K673 S677	K673-G675 PolarHBondContact O-N 3.44Å; G675-S677 VanDerWaalsContact C-N 3.34Å
676	L	27.9	Very low	34.4	Very low	84 Å²	84	124.8 Å²	124.8	44%	0.44	64%	0.642	S	S	.	*			trans	-87.5	2.3	178.1	-67.1	172.7	0	0	0	113.8	F674 R678 R679	F674-L676 PolarHBondContact O-N 2.96Å; L676-R678 PolarHBondContact O-N 3.05Å; L676-R679 PolarHBondContact O-N 3.43Å; L676-R679 VanDerWaalsContact O-N 3.1Å
677	S	30.9	Very low	36.1	Very low	126 Å²	126	120.7 Å²	120.7	88%	0.881	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-14	-167.8	-165.5	0	0	0	0	115.7	G675	G675-S677 VanDerWaalsContact C-N 3.34Å
678	R	31.2	Very low	38	Very low	230 Å²	230	121.8 Å²	121.8	87%	0.868	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-15.3	178.1	-163.7	176.4	-72.2	-128.1	2	113.8	L676 H680	L676-R678 PolarHBondContact O-N 3.05Å; R678-H680 PolarHBondContact O-N 2.96Å
679	R	37.6	Very low	40.9	Very low	118 Å²	118	117.2 Å²	117.2	45%	0.445	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-15.1	-168.7	-67.5	-168.3	-176.5	179.9	-3.5	114.9	D60 E62 L676	D60-R679 IonicContact OD2-CZ 2.87Å; D60-R679 IonicContact OD2-NE 3.69Å; D60-R679 IonicContact OD2-NH1 3.63Å; E62-R679 IonicContact OE2-NH1 4Å; E62-R679 PolarHBondContact OE2-NH1 3.21Å; L676-R679 PolarHBondContact O-N 3.43Å; L676-R679 VanDerWaalsContact O-N 3.1Å
680	H	42.4	Very low	43.6	Very low	87 Å²	87	111.6 Å²	111.6	40%	0.403	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.5	4	-168	-61.4	-74.4	0	0	0	115.8	R678 T682 I683	R678-H680 PolarHBondContact O-N 2.96Å; H680-T682 VanDerWaalsContact C-N 3.26Å; H680-T682 PolarHBondContact O-N 3.07Å; H680-I683 HydrophobicContact CB-CD1 3.79Å; H680-I683 HydrophobicContact CB-CG1 4.48Å; H680-I683 WeakPolarHBondContact ND1-CD1 3.45Å; H680-I683 PolarHBondContact O-N 2.85Å
681	S	48.9	Very low	46.6	Very low	59 Å²	59	102.6 Å²	102.6	41%	0.413	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.5	-171.7	61.4	0	0	0	0	114	S685	S681-S685 PolarHBondContact O-OG 3.17Å
682	T	51.9	Low	49.6	Very low	12 Å²	12	94.1 Å²	94.1	7%	0.074	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.4	-174.4	53.1	0	0	0	0	115.1	L28 F58 Y529 H680	L28-T682 PolarHBondContact N-O 3.43Å; F58-T682 PolarHBondContact O-OG1 2.97Å; Y529-T682 HydrophobicContact CE1-CG2 4.22Å; H680-T682 VanDerWaalsContact C-N 3.26Å; H680-T682 PolarHBondContact O-N 3.07Å
683	I	56.8	Low	52.5	Low	26 Å²	26	86.5 Å²	86.5	13%	0.133	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-67.3	-171.4	-55.3	-179.7	0	0	0	110.2	S27 V29 L63 V67 H680	S27-I683 PolarHBondContact OG-O 2.88Å; V29-I683 HydrophobicContact CG2-CG2 4.35Å; V29-I683 WeakPolarHBondContact CG2-O 3.05Å; L63-I683 HydrophobicContact CD1-CD1 3.27Å; L63-I683 HydrophobicContact CD1-CG1 3.63Å; L63-I683 HydrophobicContact CD2-CD1 4.33Å; L63-I683 HydrophobicContact CD2-CG1 4.05Å; L63-I683 HydrophobicContact CG-CD1 4.42Å; L63-I683 HydrophobicContact CG-CG1 4.41Å; V67-I683 HydrophobicContact CG2-CG2 4.39Å; H680-I683 HydrophobicContact CB-CD1 3.79Å; H680-I683 HydrophobicContact CB-CG1 4.48Å; H680-I683 WeakPolarHBondContact ND1-CD1 3.45Å; H680-I683 PolarHBondContact O-N 2.85Å
684	D	53.5	Low	55.3	Low	94 Å²	94	79.8 Å²	79.8	50%	0.503	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	-0	-179.6	-79.9	-39.1	0	0	0	111.9	V29	V29-D684 WeakPolarHBondContact CG2-OD1 3.43Å
685	S	47.9	Very low	58.4	Low	50 Å²	50	71.7 Å²	71.7	35%	0.35	39%	0.39	S	S	.	.			trans	-62.7	146.3	-165.4	85.4	0	0	0	0	110.3	S681 D687	S681-S685 PolarHBondContact O-OG 3.17Å; S685-D687 PolarHBondContact O-N 2.87Å; S685-D687 WeakPolarHBondContact OG-CB 3.4Å; S685-D687 PolarHBondContact OG-OD2 2.94Å
686	T	51.7	Low	61.5	Low	148 Å²	148	68 Å²	68	91%	0.908	35%	0.352	S	S	*	.	S	Bend	trans	-54.6	9.8	174.2	49.4	0	0	0	0	114.5	D688	T686-D688 PolarHBondContact O-N 2.88Å
687	D	57.3	Low	64.3	Low	77 Å²	77	66.4 Å²	66.4	41%	0.412	34%	0.339	S	S	.	.			trans	-63.2	129.6	170	-85.3	-12.2	0	0	0	110.5	S685 K689	S685-D687 PolarHBondContact O-N 2.87Å; S685-D687 WeakPolarHBondContact OG-CB 3.4Å; S685-D687 PolarHBondContact OG-OD2 2.94Å; D687-K689 PolarHBondContact O-N 2.81Å
688	D	67.3	Low	67.1	Low	89 Å²	89	65.1 Å²	65.1	48%	0.476	32%	0.316	S	S	.	.	S	Bend	trans	-62.5	-2.5	173	-90.9	-28.4	0	0	0	113.1	S531 R532 T686	S531-D688 CarbonylContact C-O 3.59Å; S531-D688 VanDerWaalsContact C-O 3.28Å; S531-D688 WeakPolarHBondContact CA-O 3.33Å; R532-D688 PolarHBondContact N-O 3.45Å; T686-D688 PolarHBondContact O-N 2.88Å
689	K	81.4	Confident	70	Confident	142 Å²	142	54.2 Å²	54.2	62%	0.617	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	113	-170.3	-69.5	179.2	-175.9	171.6	0	113.2	Y529 D687	Y529-K689 HydrophobicContact CD1-CB 4.39Å; Y529-K689 HydrophobicContact CG-CB 4.49Å; D687-K689 PolarHBondContact O-N 2.81Å
690	L	83.9	Confident	72.5	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.7	179	-53.8	-176.3	0	0	0	112.2	V25 Y529 I530 R532	V25-L690 HydrophobicContact CG1-CB 3.42Å; V25-L690 VanDerWaalsContact CG1-CB 3.42Å; V25-L690 HydrophobicContact CG1-CD1 4.04Å; V25-L690 HydrophobicContact CG1-CG 4.36Å; Y529-L690 CarbonylContact C-O 3.59Å; Y529-L690 WeakPolarHBondContact CA-O 3.46Å; I530-L690 PolarHBondContact N-O 3.04Å; I530-L690 PolarHBondContact O-N 2.92Å; R532-L690 HydrophobicContact CB-CD1 3.89Å; R532-L690 HydrophobicContact CB-CD2 4.48Å; R532-L690 HydrophobicContact CB-CG 4.11Å; R532-L690 HydrophobicContact CG-CD1 4.1Å
691	I	87.3	Confident	74.7	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130	180	-62.2	156.6	0	0	0	109.4	V25 G26 L31 F58 Y529 L693	V25-I691 VanDerWaalsContact CA-O 3.23Å; V25-I691 WeakPolarHBondContact CA-O 3.49Å; G26-I691 PolarHBondContact N-O 3.38Å; G26-I691 WeakPolarHBondContact O-CB 3.31Å; G26-I691 PolarHBondContact O-N 3.3Å; L31-I691 HydrophobicContact CD1-CB 4.03Å; L31-I691 HydrophobicContact CD1-CD1 3.87Å; L31-I691 HydrophobicContact CD1-CG2 3.95Å; F58-I691 HydrophobicContact CB-CD1 4.36Å; F58-I691 HydrophobicContact CB-CG1 4.31Å; F58-I691 HydrophobicContact CD1-CD1 4.47Å; F58-I691 HydrophobicContact CD1-CG1 4.37Å; F58-I691 HydrophobicContact CD1-CG2 3.9Å; F58-I691 HydrophobicContact CD2-CD1 3.42Å; F58-I691 VanDerWaalsContact CD2-CD1 3.42Å; F58-I691 HydrophobicContact CD2-CG1 4.12Å; F58-I691 HydrophobicContact CE1-CG2 3.67Å; F58-I691 HydrophobicContact CE2-CD1 3.68Å; F58-I691 HydrophobicContact CE2-CG2 4.41Å; F58-I691 HydrophobicContact CG-CD1 3.85Å; F58-I691 HydrophobicContact CG-CG1 4.02Å; F58-I691 HydrophobicContact CG-CG2 4.36Å; F58-I691 HydrophobicContact CZ-CD1 4.31Å; F58-I691 HydrophobicContact CZ-CG2 3.92Å; Y529-I691 HydrophobicContact CD1-CG1 4.47Å; Y529-I691 HydrophobicContact CE1-CG1 4.17Å; I691-L693 HydrophobicContact CG2-CD2 4.45Å; I691-L693 PolarHBondContact O-N 3.05Å
692	N	88.1	Confident	76.7	Confident	12 Å²	12	45.7 Å²	45.7	6%	0.064	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	84.9	179.5	-175.5	-0.6	0	0	0	111.8	P527 D528 I530 D694 K695 H696	P527-N692 PolarHBondContact O-ND2 2.7Å; D528-N692 WeakPolarHBondContact O-CB 3.37Å; D528-N692 PolarHBondContact O-N 3.18Å; I530-N692 HydrophobicContact CD1-CB 3.79Å; I530-N692 VanDerWaalsContact CD1-CG 3.46Å; I530-N692 HydrophobicContact CG1-CB 4.13Å; N692-D694 PolarHBondContact O-N 3Å; N692-D694 PolarHBondContact OD1-N 2.76Å; N692-K695 HydrophobicContact CB-CB 4.26Å; N692-K695 PolarHBondContact O-N 3.06Å; N692-K695 PolarHBondContact OD1-N 3.1Å; N692-H696 PolarHBondContact O-CD2 3.21Å; N692-H696 VanDerWaalsContact O-CD2 3.28Å; N692-H696 PolarHBondContact O-N 2.6Å
693	L	84.6	Confident	78.7	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-25.4	178.5	-75.3	-175.1	0	0	0	113	R24 L31 F35 T50 I691 K695 H696 R697	R24-L693 HydrophobicContact CB-CB 4.01Å; R24-L693 VanDerWaalsContact O-CB 3.29Å; R24-L693 WeakPolarHBondContact O-CB 3.3Å; R24-L693 PolarHBondContact O-N 3.49Å; L31-L693 HydrophobicContact CB-CD1 4.49Å; L31-L693 HydrophobicContact CD1-CD1 3.91Å; L31-L693 HydrophobicContact CD1-CD2 3.81Å; L31-L693 HydrophobicContact CD1-CG 3.73Å; L31-L693 HydrophobicContact CD2-CD1 3.38Å; L31-L693 HydrophobicContact CD2-CG 3.69Å; L31-L693 HydrophobicContact CG-CD1 4.09Å; L31-L693 HydrophobicContact CG-CG 4.3Å; F35-L693 HydrophobicContact CE1-CD1 4.07Å; F35-L693 HydrophobicContact CZ-CD1 4.45Å; T50-L693 HydrophobicContact CG2-CD2 4.38Å; I691-L693 HydrophobicContact CG2-CD2 4.45Å; I691-L693 PolarHBondContact O-N 3.05Å; L693-K695 VanDerWaalsContact C-N 3.34Å; L693-K695 PolarHBondContact O-N 2.94Å; L693-H696 PolarHBondContact O-N 3.09Å; L693-R697 VanDerWaalsContact O-CB 3.31Å; L693-R697 WeakPolarHBondContact O-CB 3.35Å; L693-R697 PolarHBondContact O-N 2.81Å
694	D	84	Confident	80.2	Confident	62 Å²	62	44 Å²	44	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-37.8	176.2	-78.2	-38.2	0	0	0	112.4	R24 N692	R24-D694 WeakPolarHBondContact CD-OD1 3.49Å; N692-D694 PolarHBondContact O-N 3Å; N692-D694 PolarHBondContact OD1-N 2.76Å
695	K	88.5	Confident	82.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-52.8	169.8	177.6	-172.6	-179.5	174.3	0	110.5	L522 H523 S526 D528 N692 L693 R697 R698 E699	L522-K695 WeakPolarHBondContact O-CE 3.48Å; H523-K695 PolarHBondContact ND1-NZ 2.86Å; H523-K695 PolarHBondContact O-NZ 3.4Å; S526-K695 VanDerWaalsContact O-CD 3.3Å; S526-K695 WeakPolarHBondContact O-CD 3.44Å; S526-K695 WeakPolarHBondContact O-CE 3.3Å; S526-K695 PolarHBondContact O-NZ 3.2Å; D528-K695 VanDerWaalsContact OD1-CE 3.25Å; D528-K695 WeakPolarHBondContact OD1-CE 3.26Å; D528-K695 IonicContact OD1-NZ 3.61Å; D528-K695 PolarHBondContact OD1-NZ 3.14Å; N692-K695 HydrophobicContact CB-CB 4.26Å; N692-K695 PolarHBondContact O-N 3.06Å; N692-K695 PolarHBondContact OD1-N 3.1Å; L693-K695 VanDerWaalsContact C-N 3.34Å; L693-K695 PolarHBondContact O-N 2.94Å; K695-R697 PolarHBondContact O-N 3.17Å; K695-R698 WeakPolarHBondContact O-CB 3.37Å; K695-R698 PolarHBondContact O-N 2.88Å; K695-E699 WeakPolarHBondContact CE-OE1 3.29Å; K695-E699 PolarHBondContact O-N 3.17Å
696	H	89.4	Confident	84.3	Confident	2 Å²	2	38 Å²	38	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-28.8	-176.5	-69.4	-42.3	0	0	0	112.7	T50 T54 F58 D528 N692 L693 R698 E699 F700	T50-H696 VanDerWaalsContact CG2-C 3.46Å; T50-H696 HydrophobicContact CG2-CB 3.92Å; T54-H696 HydrophobicContact CG2-CB 3.86Å; F58-H696 AromaticContact CD1-NE2 3.94Å; F58-H696 AromaticContact CE1-CD2 3.83Å; F58-H696 AromaticContact CE1-NE2 3.81Å; D528-H696 IonicContact OD1-CE1 2.63Å; N692-H696 PolarHBondContact O-CD2 3.21Å; N692-H696 VanDerWaalsContact O-CD2 3.28Å; N692-H696 PolarHBondContact O-N 2.6Å; L693-H696 PolarHBondContact O-N 3.09Å; H696-R698 PolarHBondContact O-N 2.71Å; H696-E699 IonicContact CE1-OE2 2.76Å; H696-E699 IonicContact CG-OE2 2.77Å; H696-E699 IonicContact ND1-OE2 3.65Å; H696-E699 PolarHBondContact ND1-OE2 3.49Å; H696-E699 PolarHBondContact O-N 2.83Å; H696-F700 VanDerWaalsContact O-CB 3.3Å; H696-F700 WeakPolarHBondContact O-CB 3.44Å; H696-F700 PolarHBondContact O-N 3.42Å
697	R	86.5	Confident	86.2	Confident	49 Å²	49	31.2 Å²	31.2	19%	0.185	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-38.1	172.4	177.2	175.7	150.7	-146.3	-12.5	112.6	R24 T50 I479 L693 K695 K701	R24-R697 VanDerWaalsContact NH1-NH1 3.14Å; T50-R697 HydrophobicContact CG2-CB 4.01Å; T50-R697 VanDerWaalsContact CG2-N 3.32Å; I479-R697 HydrophobicContact CD1-CG 4.27Å; L693-R697 VanDerWaalsContact O-CB 3.31Å; L693-R697 WeakPolarHBondContact O-CB 3.35Å; L693-R697 PolarHBondContact O-N 2.81Å; K695-R697 PolarHBondContact O-N 3.17Å; R697-K701 PolarHBondContact O-N 2.8Å
698	R	88.3	Confident	87.8	Confident	100 Å²	100	27.6 Å²	27.6	38%	0.377	13%	0.126	S	C	.	.	H	α-helix	trans	-69.9	-39.3	175	-72.5	-175.8	-74.3	152.3	-2.5	111.4	L522 S526 K695 H696 K701	L522-R698 HydrophobicContact CD1-CB 3.87Å; L522-R698 HydrophobicContact CD2-CB 4.05Å; S526-R698 PolarHBondContact OG-NH2 3.49Å; K695-R698 WeakPolarHBondContact O-CB 3.37Å; K695-R698 PolarHBondContact O-N 2.88Å; H696-R698 PolarHBondContact O-N 2.71Å; R698-K701 PolarHBondContact O-N 2.75Å
699	E	92.9	Very high	89.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-43.2	174.1	-66	178.7	150.3	0	0	111.5	L285 R289 L519 L522 K695 H696 K701 I702 L703	L285-E699 HydrophobicContact CD2-CB 3.85Å; L285-E699 HydrophobicContact CD2-CG 4.2Å; R289-E699 IonicContact CZ-OE1 3.2Å; R289-E699 IonicContact NH1-OE1 2.81Å; R289-E699 PolarHBondContact NH1-OE1 3.15Å; R289-E699 IonicContact NH2-OE1 3.43Å; R289-E699 PolarHBondContact NH2-OE1 3.17Å; R289-E699 IonicContact NH2-OE2 3.3Å; R289-E699 PolarHBondContact NH2-OE2 2.85Å; L519-E699 HydrophobicContact CD2-CB 4.1Å; L519-E699 HydrophobicContact CD2-CG 4.22Å; L522-E699 HydrophobicContact CB-CG 4.37Å; L522-E699 HydrophobicContact CD1-CG 4.06Å; K695-E699 WeakPolarHBondContact CE-OE1 3.29Å; K695-E699 PolarHBondContact O-N 3.17Å; H696-E699 IonicContact CE1-OE2 2.76Å; H696-E699 IonicContact CG-OE2 2.77Å; H696-E699 IonicContact ND1-OE2 3.65Å; H696-E699 PolarHBondContact ND1-OE2 3.49Å; H696-E699 PolarHBondContact O-N 2.83Å; E699-K701 VanDerWaalsContact C-N 3.3Å; E699-K701 PolarHBondContact O-N 2.88Å; E699-I702 WeakPolarHBondContact O-CB 3.39Å; E699-I702 PolarHBondContact O-N 3.25Å; E699-L703 PolarHBondContact O-N 3.08Å
700	F	89.6	Confident	89.7	Confident	5 Å²	5	16.7 Å²	16.7	2%	0.022	8%	0.075	C	C	.	.	H	α-helix	trans	-55.1	-42.7	175.1	162.4	-118.3	0	0	0	112.1	V46 N49 T50 Y53 H696 I702 L703 A704	V46-F700 HydrophobicContact CG1-CE1 4.38Å; N49-F700 HydrophobicContact CB-CE1 4.23Å; N49-F700 HydrophobicContact CB-CE2 3.88Å; N49-F700 HydrophobicContact CB-CZ 3.64Å; T50-F700 HydrophobicContact CG2-CB 4.33Å; T50-F700 WeakPolarHBondContact OG1-CD1 3.47Å; Y53-F700 HydrophobicContact CD1-CD2 4.11Å; Y53-F700 AromaticContact CD2-CD2 3.36Å; Y53-F700 HydrophobicContact CD2-CD2 3.36Å; Y53-F700 AromaticContact CD2-CE2 3.35Å; Y53-F700 HydrophobicContact CD2-CE2 3.35Å; Y53-F700 HydrophobicContact CE1-CD2 4.43Å; Y53-F700 HydrophobicContact CE1-CE2 4.47Å; Y53-F700 AromaticContact CE2-CD2 3.83Å; Y53-F700 HydrophobicContact CE2-CD2 3.83Å; Y53-F700 AromaticContact CE2-CE2 3.37Å; Y53-F700 HydrophobicContact CE2-CE2 3.37Å; Y53-F700 HydrophobicContact CE2-CZ 4.5Å; Y53-F700 AromaticContact CG-CD2 3.54Å; Y53-F700 HydrophobicContact CG-CD2 3.54Å; Y53-F700 HydrophobicContact CG-CE2 4Å; Y53-F700 AromaticContact CZ-CE2 3.93Å; H696-F700 VanDerWaalsContact O-CB 3.3Å; H696-F700 WeakPolarHBondContact O-CB 3.44Å; H696-F700 PolarHBondContact O-N 3.42Å; F700-I702 VanDerWaalsContact C-N 3.26Å; F700-I702 PolarHBondContact O-N 3.06Å; F700-L703 PolarHBondContact O-N 2.85Å; F700-L703 VanDerWaalsContact O-N 3.16Å; F700-A704 HydrophobicContact CD2-CB 4.49Å; F700-A704 HydrophobicContact CE2-CB 4.03Å; F700-A704 HydrophobicContact CZ-CB 4.36Å; F700-A704 WeakPolarHBondContact O-CB 3.46Å; F700-A704 PolarHBondContact O-N 3.02Å
701	K	88.5	Confident	90	Very high	60 Å²	60	17.7 Å²	17.7	26%	0.261	8%	0.079	S	C	.	.	H	α-helix	trans	-56.3	-40.9	176.2	-73.4	-175.8	172.2	-146.7	0	112.7	P476 R697 R698 E699 N705	P476-K701 WeakPolarHBondContact O-CD 3.43Å; P476-K701 WeakPolarHBondContact O-CE 3.24Å; P476-K701 PolarHBondContact O-NZ 3.21Å; R697-K701 PolarHBondContact O-N 2.8Å; R698-K701 PolarHBondContact O-N 2.75Å; E699-K701 VanDerWaalsContact C-N 3.3Å; E699-K701 PolarHBondContact O-N 2.88Å; K701-N705 PolarHBondContact O-N 3.27Å
702	I	92.3	Very high	90.1	Very high	21 Å²	21	17.8 Å²	17.8	11%	0.108	8%	0.079	C	C	.	.	H	α-helix	trans	-69.2	-45.8	178.2	-66.1	161.3	0	0	0	109.9	F515 D518 L519 L522 E699 F700 A704 N705 I706	F515-I702 HydrophobicContact CB-CG2 3.96Å; F515-I702 HydrophobicContact CD1-CG2 3.97Å; F515-I702 HydrophobicContact CG-CG2 4.41Å; D518-I702 HydrophobicContact CB-CD1 3.61Å; D518-I702 HydrophobicContact CB-CG1 4.46Å; L519-I702 HydrophobicContact CD1-CG2 4.33Å; L519-I702 HydrophobicContact CD2-CB 3.97Å; L519-I702 HydrophobicContact CD2-CD1 3.83Å; L519-I702 HydrophobicContact CD2-CG2 3.95Å; L519-I702 HydrophobicContact CG-CB 4.48Å; L519-I702 HydrophobicContact CG-CD1 4.31Å; L519-I702 HydrophobicContact CG-CG2 3.92Å; L522-I702 HydrophobicContact CD1-CD1 3.43Å; L522-I702 VanDerWaalsContact CD1-CD1 3.43Å; L522-I702 HydrophobicContact CG-CD1 4.45Å; E699-I702 WeakPolarHBondContact O-CB 3.39Å; E699-I702 PolarHBondContact O-N 3.25Å; F700-I702 VanDerWaalsContact C-N 3.26Å; F700-I702 PolarHBondContact O-N 3.06Å; I702-A704 VanDerWaalsContact C-N 3.31Å; I702-A704 PolarHBondContact O-N 3.09Å; I702-N705 WeakPolarHBondContact O-CB 3.47Å; I702-N705 PolarHBondContact O-N 3.44Å; I702-N705 VanDerWaalsContact O-N 3.14Å; I702-I706 HydrophobicContact CG2-CD1 4.35Å; I702-I706 WeakPolarHBondContact O-CG1 3.1Å; I702-I706 PolarHBondContact O-N 2.9Å
703	L	92.7	Very high	90.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-36.8	177.8	-64.3	-174.5	0	0	0	113	Y53 L281 C284 L285 L519 E699 F700 N705 I706 F707	Y53-L703 HydrophobicContact CD1-CB 3.63Å; Y53-L703 HydrophobicContact CD1-CD1 3.86Å; Y53-L703 HydrophobicContact CD1-CG 4.44Å; Y53-L703 HydrophobicContact CE1-CB 3.91Å; L281-L703 VanDerWaalsContact O-CD2 3.26Å; L281-L703 WeakPolarHBondContact O-CD2 3.47Å; C284-L703 HydrophobicContact CB-CD2 4Å; L285-L703 HydrophobicContact CD1-CD1 3.67Å; L285-L703 HydrophobicContact CD2-CD1 4.11Å; L285-L703 HydrophobicContact CD2-CG 4.42Å; L285-L703 HydrophobicContact CG-CD1 3.81Å; L285-L703 HydrophobicContact CG-CD2 4.48Å; L519-L703 HydrophobicContact CD1-CD2 4.14Å; E699-L703 PolarHBondContact O-N 3.08Å; F700-L703 PolarHBondContact O-N 2.85Å; F700-L703 VanDerWaalsContact O-N 3.16Å; L703-N705 VanDerWaalsContact C-N 3.3Å; L703-N705 PolarHBondContact O-N 3.04Å; L703-I706 HydrophobicContact CD2-CD1 4.13Å; L703-I706 PolarHBondContact O-N 2.96Å; L703-F707 WeakPolarHBondContact O-CB 3.32Å; L703-F707 PolarHBondContact O-N 3.42Å
704	A	89.2	Confident	90.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-39.2	174.3	0	0	0	0	0	111.3	F700 I702 F707 L708	F700-A704 HydrophobicContact CD2-CB 4.49Å; F700-A704 HydrophobicContact CE2-CB 4.03Å; F700-A704 HydrophobicContact CZ-CB 4.36Å; F700-A704 WeakPolarHBondContact O-CB 3.46Å; F700-A704 PolarHBondContact O-N 3.02Å; I702-A704 VanDerWaalsContact C-N 3.31Å; I702-A704 PolarHBondContact O-N 3.09Å; A704-F707 PolarHBondContact O-N 2.56Å; A704-L708 VanDerWaalsContact O-CG 3.28Å; A704-L708 WeakPolarHBondContact O-CG 3.46Å; A704-L708 PolarHBondContact O-N 3.5Å
705	N	91.7	Very high	90.9	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.102	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-45.1	172.5	-78.1	-0.8	0	0	0	112	P476 F515 K701 I702 L703 F707 L708 L709	P476-N705 VanDerWaalsContact CB-OD1 3.3Å; P476-N705 WeakPolarHBondContact CB-OD1 3.31Å; P476-N705 WeakPolarHBondContact CG-OD1 3.5Å; F515-N705 HydrophobicContact CE1-CB 4.23Å; K701-N705 PolarHBondContact O-N 3.27Å; I702-N705 WeakPolarHBondContact O-CB 3.47Å; I702-N705 PolarHBondContact O-N 3.44Å; I702-N705 VanDerWaalsContact O-N 3.14Å; L703-N705 VanDerWaalsContact C-N 3.3Å; L703-N705 PolarHBondContact O-N 3.04Å; N705-F707 VanDerWaalsContact C-N 3.3Å; N705-F707 PolarHBondContact O-N 3.27Å; N705-L708 PolarHBondContact O-N 3.28Å; N705-L709 WeakPolarHBondContact O-CG 3.05Å; N705-L709 PolarHBondContact O-N 2.95Å
706	I	94.2	Very high	91	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-44	176.6	-60.1	173.6	0	0	0	110.1	F276 M279 L281 F515 I702 L703 L708 L709 Q710	F276-I706 HydrophobicContact CE2-CG2 3.94Å; F276-I706 HydrophobicContact CZ-CG2 4.1Å; M279-I706 HydrophobicContact CE-CG2 3.66Å; L281-I706 HydrophobicContact CD2-CB 3.87Å; L281-I706 HydrophobicContact CD2-CG2 3.54Å; F515-I706 HydrophobicContact CB-CD1 3.77Å; F515-I706 HydrophobicContact CB-CG1 4.06Å; F515-I706 HydrophobicContact CD1-CG1 4.15Å; F515-I706 HydrophobicContact CD2-CD1 4.49Å; F515-I706 HydrophobicContact CD2-CG1 3.99Å; F515-I706 HydrophobicContact CE2-CG1 4.48Å; F515-I706 HydrophobicContact CG-CD1 4.1Å; F515-I706 HydrophobicContact CG-CG1 3.79Å; I702-I706 HydrophobicContact CG2-CD1 4.35Å; I702-I706 WeakPolarHBondContact O-CG1 3.1Å; I702-I706 PolarHBondContact O-N 2.9Å; L703-I706 HydrophobicContact CD2-CD1 4.13Å; L703-I706 PolarHBondContact O-N 2.96Å; I706-L708 PolarHBondContact O-N 3.22Å; I706-L709 CarbonylContact O-C 3.54Å; I706-L709 WeakPolarHBondContact O-CB 3.25Å; I706-L709 PolarHBondContact O-N 2.77Å; I706-L709 VanDerWaalsContact O-N 3.13Å; I706-Q710 PolarHBondContact O-N 2.87Å
707	F	92.1	Very high	90.8	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-47.5	175.7	173.2	-111.6	0	0	0	112.2	P104 L281 I473 L703 A704 N705 L709 Q710 Q711	P104-F707 HydrophobicContact CB-CD2 3.66Å; P104-F707 HydrophobicContact CB-CE2 3.58Å; P104-F707 HydrophobicContact CB-CG 4.43Å; P104-F707 HydrophobicContact CB-CZ 4.29Å; P104-F707 HydrophobicContact CG-CD2 3.88Å; P104-F707 HydrophobicContact CG-CE2 3.98Å; P104-F707 HydrophobicContact CG-CG 4.16Å; P104-F707 HydrophobicContact CG-CZ 4.33Å; L281-F707 HydrophobicContact CD1-CB 3.81Å; L281-F707 HydrophobicContact CD1-CD2 4.21Å; L281-F707 HydrophobicContact CD1-CG 4.38Å; I473-F707 HydrophobicContact CD1-CD1 4.4Å; I473-F707 HydrophobicContact CD1-CE1 3.88Å; L703-F707 WeakPolarHBondContact O-CB 3.32Å; L703-F707 PolarHBondContact O-N 3.42Å; A704-F707 PolarHBondContact O-N 2.56Å; N705-F707 VanDerWaalsContact C-N 3.3Å; N705-F707 PolarHBondContact O-N 3.27Å; F707-L709 PolarHBondContact O-N 2.96Å; F707-Q710 WeakPolarHBondContact O-CA 3.41Å; F707-Q710 WeakPolarHBondContact O-CB 3.36Å; F707-Q710 PolarHBondContact O-N 3.4Å; F707-Q711 HydrophobicContact CD1-CG 4.46Å; F707-Q711 HydrophobicContact CD2-CG 4.32Å; F707-Q711 HydrophobicContact CE1-CG 3.98Å; F707-Q711 HydrophobicContact CE2-CG 3.81Å; F707-Q711 HydrophobicContact CZ-CG 3.63Å; F707-Q711 WeakPolarHBondContact O-CG 3.05Å; F707-Q711 PolarHBondContact O-N 3.3Å
708	L	91.4	Very high	90.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-34.5	176	-70.5	169.9	0	0	0	112	A454 M457 L461 I473 P476 A704 N705 I706 Q711 N712	A454-L708 HydrophobicContact CB-CB 4.05Å; A454-L708 HydrophobicContact CB-CD1 4.26Å; M457-L708 WeakPolarHBondContact CG-O 3.34Å; L461-L708 HydrophobicContact CD1-CD2 3.93Å; I473-L708 HydrophobicContact CG2-CD1 4.47Å; I473-L708 HydrophobicContact CG2-CD2 4.45Å; P476-L708 HydrophobicContact CG-CD1 4.35Å; A704-L708 VanDerWaalsContact O-CG 3.28Å; A704-L708 WeakPolarHBondContact O-CG 3.46Å; A704-L708 PolarHBondContact O-N 3.5Å; N705-L708 PolarHBondContact O-N 3.28Å; I706-L708 PolarHBondContact O-N 3.22Å; L708-Q711 PolarHBondContact O-N 3Å; L708-N712 PolarHBondContact O-N 3.2Å; L708-N712 PolarHBondContact O-ND2 3.21Å
709	L	93.7	Very high	90.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-72.5	-36.8	173.3	-67.4	173.1	0	0	0	112.2	F276 L450 C453 A454 V508 P510 F515 N705 I706 F707 Q711 N712 A713	F276-L709 HydrophobicContact CE1-CB 4.11Å; F276-L709 HydrophobicContact CZ-CB 3.94Å; L450-L709 HydrophobicContact CB-CD1 4.39Å; L450-L709 HydrophobicContact CD2-CD1 4.36Å; C453-L709 HydrophobicContact CB-CD2 3.74Å; A454-L709 HydrophobicContact CB-CD2 4.36Å; A454-L709 HydrophobicContact CB-CG 4.37Å; V508-L709 HydrophobicContact CG1-CD2 4.29Å; P510-L709 HydrophobicContact CB-CD1 4.04Å; P510-L709 HydrophobicContact CG-CB 4.49Å; P510-L709 HydrophobicContact CG-CD1 4Å; F515-L709 HydrophobicContact CE2-CD1 3.68Å; F515-L709 HydrophobicContact CZ-CD1 3.47Å; F515-L709 VanDerWaalsContact CZ-CD1 3.47Å; N705-L709 WeakPolarHBondContact O-CG 3.05Å; N705-L709 PolarHBondContact O-N 2.95Å; I706-L709 CarbonylContact O-C 3.54Å; I706-L709 WeakPolarHBondContact O-CB 3.25Å; I706-L709 PolarHBondContact O-N 2.77Å; I706-L709 VanDerWaalsContact O-N 3.13Å; F707-L709 PolarHBondContact O-N 2.96Å; L709-Q711 VanDerWaalsContact C-N 3.27Å; L709-Q711 PolarHBondContact O-N 2.96Å; L709-N712 WeakPolarHBondContact O-CB 3.49Å; L709-N712 PolarHBondContact O-N 3.3Å; L709-N712 VanDerWaalsContact O-N 3.13Å; L709-A713 PolarHBondContact O-N 3.43Å
710	Q	94.3	Very high	90.5	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-40.6	170.9	-72.7	-178.3	-40.6	0	0	110.8	F276 L277 M279 I706 F707 N712 A713 Q714	F276-Q710 HydrophobicContact CD1-CG 4.16Å; F276-Q710 HydrophobicContact CE1-CB 4.27Å; F276-Q710 HydrophobicContact CE1-CG 3.72Å; F276-Q710 HydrophobicContact CE2-CG 4.2Å; F276-Q710 HydrophobicContact CZ-CG 3.72Å; F276-Q710 PolarHBondContact O-NE2 3.23Å; L277-Q710 HydrophobicContact CD2-CB 4.29Å; L277-Q710 WeakPolarHBondContact CD2-O 3.4Å; M279-Q710 PolarHBondContact O-NE2 3.18Å; I706-Q710 PolarHBondContact O-N 2.87Å; F707-Q710 WeakPolarHBondContact O-CA 3.41Å; F707-Q710 WeakPolarHBondContact O-CB 3.36Å; F707-Q710 PolarHBondContact O-N 3.4Å; Q710-N712 VanDerWaalsContact C-N 3.34Å; Q710-N712 PolarHBondContact O-N 3.01Å; Q710-A713 PolarHBondContact O-N 3.41Å; Q710-A713 VanDerWaalsContact O-N 3.16Å; Q710-Q714 PolarHBondContact O-N 3.01Å
711	Q	90.3	Very high	90.2	Very high	26 Å²	26	40.8 Å²	40.8	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-35.7	174.9	-63.3	-58.7	106.6	0	0	112.1	M457 L461 F707 L708 L709 Q714	M457-Q711 HydrophobicContact CE-CB 3.45Å; M457-Q711 VanDerWaalsContact CE-CB 3.45Å; M457-Q711 HydrophobicContact CG-CB 3.97Å; M457-Q711 HydrophobicContact SD-CB 4.5Å; L461-Q711 HydrophobicContact CD1-CB 4.43Å; L461-Q711 HydrophobicContact CD1-CG 4.22Å; F707-Q711 HydrophobicContact CD1-CG 4.46Å; F707-Q711 HydrophobicContact CD2-CG 4.32Å; F707-Q711 HydrophobicContact CE1-CG 3.98Å; F707-Q711 HydrophobicContact CE2-CG 3.81Å; F707-Q711 HydrophobicContact CZ-CG 3.63Å; F707-Q711 WeakPolarHBondContact O-CG 3.05Å; F707-Q711 PolarHBondContact O-N 3.3Å; L708-Q711 PolarHBondContact O-N 3Å; L709-Q711 VanDerWaalsContact C-N 3.27Å; L709-Q711 PolarHBondContact O-N 2.96Å; Q711-Q714 PolarHBondContact O-N 3.39Å
712	N	89.7	Confident	89.8	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-44.1	169.5	-81.1	-84.9	0	0	0	111.7	C453 M457 G507 V508 L708 L709 Q710 Q714 F715	C453-N712 PolarHBondContact O-ND2 2.82Å; M457-N712 WeakPolarHBondContact CB-ND2 3.3Å; G507-N712 WeakPolarHBondContact CA-O 3.12Å; V508-N712 HydrophobicContact CB-CB 4.35Å; L708-N712 PolarHBondContact O-N 3.2Å; L708-N712 PolarHBondContact O-ND2 3.21Å; L709-N712 WeakPolarHBondContact O-CB 3.49Å; L709-N712 PolarHBondContact O-N 3.3Å; L709-N712 VanDerWaalsContact O-N 3.13Å; Q710-N712 VanDerWaalsContact C-N 3.34Å; Q710-N712 PolarHBondContact O-N 3.01Å; N712-Q714 PolarHBondContact O-N 3.15Å; N712-Q714 VanDerWaalsContact O-N 3.11Å; N712-F715 WeakPolarHBondContact O-CD2 3.35Å; N712-F715 PolarHBondContact O-N 3.15Å
713	A	93.5	Very high	89.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-15.2	-176.9	0	0	0	0	0	113.4	Q273 F276 L277 L709 Q710 F715 Y716	Q273-A713 PolarHBondContact NE2-O 2.81Å; F276-A713 HydrophobicContact CD1-CB 3.81Å; F276-A713 HydrophobicContact CE1-CB 4.14Å; L277-A713 HydrophobicContact CD2-CB 4.05Å; L277-A713 HydrophobicContact CG-CB 4.49Å; L709-A713 PolarHBondContact O-N 3.43Å; Q710-A713 PolarHBondContact O-N 3.41Å; Q710-A713 VanDerWaalsContact O-N 3.16Å; A713-F715 PolarHBondContact O-N 2.69Å; A713-Y716 HydrophobicContact CB-CE2 4.4Å; A713-Y716 VanDerWaalsContact O-CD2 3.3Å; A713-Y716 WeakPolarHBondContact O-CD2 3.37Å
714	Q	90.9	Very high	88.8	Confident	95 Å²	95	46.5 Å²	46.5	44%	0.444	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.3	172.7	-69.9	169.4	13.9	0	0	113.1	L277 Q710 Q711 N712 Y716	L277-Q714 HydrophobicContact CD1-CG 4.25Å; L277-Q714 HydrophobicContact CD2-CG 3.74Å; Q710-Q714 PolarHBondContact O-N 3.01Å; Q711-Q714 PolarHBondContact O-N 3.39Å; N712-Q714 PolarHBondContact O-N 3.15Å; N712-Q714 VanDerWaalsContact O-N 3.11Å; Q714-Y716 VanDerWaalsContact C-N 3.35Å; Q714-Y716 PolarHBondContact O-N 3.04Å
715	F	88.8	Confident	88.5	Confident	74 Å²	74	48.8 Å²	48.8	33%	0.325	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.9	-177	-66.1	-74.7	0	0	0	114.9	M457 Y460 L505 N712 A713 S717	M457-F715 HydrophobicContact CE-CE2 3.55Å; M457-F715 HydrophobicContact CE-CZ 4.11Å; M457-F715 HydrophobicContact SD-CE2 3.84Å; Y460-F715 AromaticContact CE1-CZ 3.82Å; Y460-F715 HydrophobicContact CE1-CZ 3.82Å; L505-F715 HydrophobicContact CB-CD1 4.12Å; L505-F715 HydrophobicContact CB-CD2 4.17Å; L505-F715 HydrophobicContact CB-CE1 4.27Å; L505-F715 HydrophobicContact CB-CE2 4.3Å; L505-F715 HydrophobicContact CB-CG 4.08Å; L505-F715 HydrophobicContact CB-CZ 4.36Å; L505-F715 HydrophobicContact CD1-CE1 3.95Å; L505-F715 HydrophobicContact CD1-CZ 3.99Å; L505-F715 HydrophobicContact CD2-CE2 4.1Å; L505-F715 HydrophobicContact CD2-CZ 4.2Å; L505-F715 HydrophobicContact CG-CZ 4.41Å; L505-F715 WeakPolarHBondContact O-CB 3.5Å; L505-F715 WeakPolarHBondContact O-CG 3.43Å; N712-F715 WeakPolarHBondContact O-CD2 3.35Å; N712-F715 PolarHBondContact O-N 3.15Å; A713-F715 PolarHBondContact O-N 2.69Å; F715-S717 PolarHBondContact O-N 3.43Å
716	Y	90.5	Very high	88.1	Confident	27 Å²	27	50.7 Å²	50.7	11%	0.106	27%	0.268	C	S	.	.			trans	-68.3	126.7	168.4	-69	-73.3	0	0	0	110.1	T269 Q273 T391 R392 G507 V508 I509 A713 Q714 L718	T269-Y716 HydrophobicContact CG2-CD1 3.88Å; T269-Y716 HydrophobicContact CG2-CE1 3.57Å; T269-Y716 HydrophobicContact CG2-CE2 4.27Å; T269-Y716 HydrophobicContact CG2-CG 4.33Å; Q273-Y716 HydrophobicContact CB-CD2 4.36Å; Q273-Y716 HydrophobicContact CG-CD2 3.96Å; T391-Y716 WeakPolarHBondContact O-CE1 3.43Å; T391-Y716 PolarHBondContact O-OH 3.02Å; R392-Y716 PolarHBondContact O-OH 3.39Å; G507-Y716 PolarHBondContact O-OH 3.02Å; G507-Y716 VanDerWaalsContact O-OH 3.08Å; V508-Y716 VanDerWaalsContact CA-OH 3.28Å; V508-Y716 WeakPolarHBondContact CA-OH 3.42Å; V508-Y716 PolarHBondContact N-OH 3.24Å; I509-Y716 HydrophobicContact CD1-CE2 4.01Å; I509-Y716 HydrophobicContact CG1-CE2 3.58Å; I509-Y716 PolarHBondContact N-OH 3.46Å; A713-Y716 HydrophobicContact CB-CE2 4.4Å; A713-Y716 VanDerWaalsContact O-CD2 3.3Å; A713-Y716 WeakPolarHBondContact O-CD2 3.37Å; Q714-Y716 VanDerWaalsContact C-N 3.35Å; Q714-Y716 PolarHBondContact O-N 3.04Å; Y716-L718 HydrophobicContact CD1-CD1 4.18Å
717	S	85.8	Confident	87.6	Confident	122 Å²	122	51 Å²	51	85%	0.853	27%	0.269	S	S	*	.			trans	-109.8	69.5	173.2	177.9	0	0	0	0	109.4	F715	F715-S717 PolarHBondContact O-N 3.43Å
718	L	87.8	Confident	87.4	Confident	46 Å²	46	50.9 Å²	50.9	24%	0.241	27%	0.269	C	S	.	.			trans	-119.9	142.4	-178.2	-61.3	176.2	0	0	0	110	E266 T269 V270 Y716	E266-L718 HydrophobicContact CB-CD1 4.36Å; E266-L718 HydrophobicContact CB-CD2 4.26Å; E266-L718 HydrophobicContact CG-CD2 3.95Å; T269-L718 HydrophobicContact CG2-CD1 3.78Å; V270-L718 HydrophobicContact CG2-CB 3.32Å; V270-L718 HydrophobicContact CG2-CD1 4.13Å; V270-L718 HydrophobicContact CG2-CG 4.38Å; Y716-L718 HydrophobicContact CD1-CD1 4.18Å
719	R	86.3	Confident	87.1	Confident	195 Å²	195	57 Å²	57	74%	0.736	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-97.1	127.7	-179.5	-177.3	176	177	161.5	-1.7	110.4	Q267	Q267-R719 PolarHBondContact NE2-O 2.98Å
720	P	87	Confident	86.7	Confident	78 Å²	78	60.4 Å²	60.4	51%	0.506	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67	134.1	172.1	-11.4	22.5	0	0	0	111.9	V270	V270-P720 HydrophobicContact CG1-CB 3.85Å; V270-P720 HydrophobicContact CG1-CG 3.68Å
721	E	82.9	Confident	86.2	Confident	79 Å²	79	62.7 Å²	62.7	37%	0.369	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-103.2	118	173.3	-68.2	-60.1	150.1	0	0	110.3	Q267 D723 F724 S725	Q267-E721 HydrophobicContact CG-CB 4.24Å; Q267-E721 HydrophobicContact CG-CG 4.45Å; E721-D723 VanDerWaalsContact C-N 3.31Å; E721-D723 PolarHBondContact O-N 3.47Å; E721-F724 HydrophobicContact CB-CB 4.3Å; E721-F724 PolarHBondContact O-N 3.13Å; E721-S725 PolarHBondContact O-N 3.43Å; E721-S725 PolarHBondContact O-OG 3.17Å
722	P	80.1	Confident	85.9	Confident	89 Å²	89	65.8 Å²	65.8	58%	0.578	35%	0.352	S	S	*	.	H	α-helix	trans	-61.8	-34.5	-177.9	-24.9	34.5	0	0	0	114.2	S725 T726	P722-S725 PolarHBondContact O-N 2.97Å; P722-T726 PolarHBondContact O-N 3.33Å; P722-T726 PolarHBondContact O-OG1 3.22Å
723	D	79	Confident	85.9	Confident	96 Å²	96	69.3 Å²	69.3	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-67.3	-42.4	-178.5	-66.8	-17	0	0	0	111.2	I254 E721 S725 T726 W727	I254-D723 HydrophobicContact CD1-CB 4.27Å; E721-D723 VanDerWaalsContact C-N 3.31Å; E721-D723 PolarHBondContact O-N 3.47Å; D723-S725 VanDerWaalsContact C-N 3.34Å; D723-S725 PolarHBondContact O-N 3.45Å; D723-T726 PolarHBondContact O-N 3.49Å; D723-W727 WeakPolarHBondContact O-CB 3.42Å; D723-W727 PolarHBondContact O-N 2.91Å
724	F	85.2	Confident	85.5	Confident	16 Å²	16	69.8 Å²	69.8	7%	0.07	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-46.6	172.6	174.2	-90.6	0	0	0	110.9	V264 Q267 L268 E721 T726 W727 F728	V264-F724 HydrophobicContact CG1-CE2 4.11Å; Q267-F724 HydrophobicContact CB-CB 4.22Å; Q267-F724 HydrophobicContact CB-CD1 3.36Å; Q267-F724 HydrophobicContact CB-CD2 3.89Å; Q267-F724 HydrophobicContact CB-CE1 3.57Å; Q267-F724 HydrophobicContact CB-CE2 4.07Å; Q267-F724 HydrophobicContact CB-CG 3.53Å; Q267-F724 HydrophobicContact CB-CZ 3.93Å; Q267-F724 HydrophobicContact CG-CB 3.95Å; Q267-F724 HydrophobicContact CG-CD1 4.05Å; Q267-F724 HydrophobicContact CG-CD2 4.25Å; Q267-F724 HydrophobicContact CG-CG 3.8Å; L268-F724 HydrophobicContact CD2-CE1 4.49Å; L268-F724 HydrophobicContact CD2-CZ 3.85Å; L268-F724 HydrophobicContact CG-CZ 3.96Å; E721-F724 HydrophobicContact CB-CB 4.3Å; E721-F724 PolarHBondContact O-N 3.13Å; F724-T726 VanDerWaalsContact C-N 3.28Å; F724-T726 PolarHBondContact O-N 3.06Å; F724-W727 AromaticContact CD2-CE3 3.87Å; F724-W727 HydrophobicContact CD2-CE3 3.87Å; F724-W727 HydrophobicContact CD2-CZ3 4.01Å; F724-W727 AromaticContact CE2-CE3 3.82Å; F724-W727 HydrophobicContact CE2-CE3 3.82Å; F724-W727 AromaticContact CE2-CZ3 3.49Å; F724-W727 HydrophobicContact CE2-CZ3 3.49Å; F724-W727 VanDerWaalsContact CE2-CZ3 3.49Å; F724-W727 HydrophobicContact CZ-CZ3 4.11Å; F724-W727 PolarHBondContact O-N 3.37Å; F724-F728 HydrophobicContact CD1-CB 4.35Å; F724-F728 HydrophobicContact CE1-CB 3.97Å; F724-F728 HydrophobicContact CE1-CG 4.17Å; F724-F728 HydrophobicContact CZ-CB 4.15Å; F724-F728 HydrophobicContact CZ-CD2 4.13Å; F724-F728 HydrophobicContact CZ-CG 4.23Å; F724-F728 WeakPolarHBondContact O-CB 3.38Å; F724-F728 PolarHBondContact O-N 3.49Å
725	S	84	Confident	85.5	Confident	49 Å²	49	67.7 Å²	67.7	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-45	179.4	-64.5	0	0	0	0	110.4	E721 P722 D723 F728 H729	E721-S725 PolarHBondContact O-N 3.43Å; E721-S725 PolarHBondContact O-OG 3.17Å; P722-S725 PolarHBondContact O-N 2.97Å; D723-S725 VanDerWaalsContact C-N 3.34Å; D723-S725 PolarHBondContact O-N 3.45Å; S725-F728 PolarHBondContact O-N 3.35Å; S725-H729 PolarHBondContact O-N 2.86Å; S725-H729 PolarHBondContact O-ND1 3.01Å
726	T	81.8	Confident	85.3	Confident	59 Å²	59	66.1 Å²	66.1	36%	0.362	36%	0.363	S	S	.	.	H	α-helix	trans	-66.2	-45.6	-179.3	-49.9	0	0	0	0	111.9	I250 P722 D723 F724 H729 S730	I250-T726 HydrophobicContact CD1-CG2 3.24Å; P722-T726 PolarHBondContact O-N 3.33Å; P722-T726 PolarHBondContact O-OG1 3.22Å; D723-T726 PolarHBondContact O-N 3.49Å; F724-T726 VanDerWaalsContact C-N 3.28Å; F724-T726 PolarHBondContact O-N 3.06Å; T726-H729 PolarHBondContact O-N 3.26Å; T726-S730 WeakPolarHBondContact O-CB 3.2Å; T726-S730 PolarHBondContact O-N 3.45Å; T726-S730 PolarHBondContact O-OG 2.67Å
727	W	83.8	Confident	85.3	Confident	7 Å²	7	69.5 Å²	69.5	3%	0.027	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-50	174.1	166.3	81.9	0	0	0	112.4	I254 L256 L309 D723 F724 H729 S730 Y731	I254-W727 HydrophobicContact CB-CG 4.46Å; I254-W727 HydrophobicContact CG2-CG 4.25Å; I254-W727 PolarHBondContact O-NE1 2.95Å; L256-W727 HydrophobicContact CB-CH2 4.33Å; L256-W727 HydrophobicContact CB-CZ2 3.76Å; L256-W727 HydrophobicContact CD1-CH2 3.61Å; L256-W727 HydrophobicContact CD1-CZ2 3.94Å; L256-W727 HydrophobicContact CD1-CZ3 4.41Å; L256-W727 HydrophobicContact CD2-CH2 4.39Å; L256-W727 HydrophobicContact CD2-CZ2 4.41Å; L256-W727 HydrophobicContact CG-CH2 4.31Å; L256-W727 HydrophobicContact CG-CZ2 4.24Å; L309-W727 HydrophobicContact CD1-CH2 4.43Å; L309-W727 HydrophobicContact CD1-CZ2 4.46Å; L309-W727 HydrophobicContact CD2-CH2 3.88Å; L309-W727 HydrophobicContact CD2-CZ3 4.39Å; D723-W727 WeakPolarHBondContact O-CB 3.42Å; D723-W727 PolarHBondContact O-N 2.91Å; F724-W727 AromaticContact CD2-CE3 3.87Å; F724-W727 HydrophobicContact CD2-CE3 3.87Å; F724-W727 HydrophobicContact CD2-CZ3 4.01Å; F724-W727 AromaticContact CE2-CE3 3.82Å; F724-W727 HydrophobicContact CE2-CE3 3.82Å; F724-W727 AromaticContact CE2-CZ3 3.49Å; F724-W727 HydrophobicContact CE2-CZ3 3.49Å; F724-W727 VanDerWaalsContact CE2-CZ3 3.49Å; F724-W727 HydrophobicContact CZ-CZ3 4.11Å; F724-W727 PolarHBondContact O-N 3.37Å; W727-H729 PolarHBondContact O-N 3.36Å; W727-S730 PolarHBondContact O-N 2.99Å; W727-S730 VanDerWaalsContact O-N 3.13Å; W727-S730 PolarHBondContact O-OG 2.63Å; W727-Y731 AromaticContact CE2-CD2 3.93Å; W727-Y731 AromaticContact CZ2-CD2 3.92Å; W727-Y731 HydrophobicContact CZ2-CD2 3.92Å; W727-Y731 HydrophobicContact CZ2-CE2 4.34Å; W727-Y731 AromaticContact NE1-CD2 3.68Å; W727-Y731 PolarHBondContact O-N 2.84Å
728	F	87.6	Confident	85.4	Confident	4 Å²	4	68 Å²	68	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-31	-178	-179.4	-103.6	0	0	0	111.7	L268 Q302 K305 L306 L309 F724 S725	L268-F728 HydrophobicContact CD2-CD2 4.38Å; L268-F728 HydrophobicContact CD2-CE2 3.93Å; L268-F728 HydrophobicContact CD2-CZ 4.36Å; Q302-F728 VanDerWaalsContact NE2-CE1 3.27Å; K305-F728 HydrophobicContact CD-CD1 4.36Å; K305-F728 HydrophobicContact CD-CE1 3.61Å; K305-F728 HydrophobicContact CD-CZ 3.85Å; K305-F728 WeakPolarHBondContact CE-O 3.31Å; K305-F728 HydrophobicContact CG-CE1 4.17Å; K305-F728 HydrophobicContact CG-CZ 3.87Å; K305-F728 VanDerWaalsContact NZ-CD1 3.3Å; K305-F728 PolarHBondContact NZ-O 2.91Å; L306-F728 HydrophobicContact CD1-CE2 4.45Å; L309-F728 HydrophobicContact CD2-CD2 3.61Å; L309-F728 HydrophobicContact CD2-CE2 3.53Å; F724-F728 HydrophobicContact CD1-CB 4.35Å; F724-F728 HydrophobicContact CE1-CB 3.97Å; F724-F728 HydrophobicContact CE1-CG 4.17Å; F724-F728 HydrophobicContact CZ-CB 4.15Å; F724-F728 HydrophobicContact CZ-CD2 4.13Å; F724-F728 HydrophobicContact CZ-CG 4.23Å; F724-F728 WeakPolarHBondContact O-CB 3.38Å; F724-F728 PolarHBondContact O-N 3.49Å; S725-F728 PolarHBondContact O-N 3.35Å
729	H	86.4	Confident	85.4	Confident	128 Å²	128	65.8 Å²	65.8	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-86.4	-22.5	176.1	-66.4	84	0	0	0	114.7	K305 S725 T726 W727	K305-H729 VanDerWaalsContact NZ-CA 3.32Å; K305-H729 PolarHBondContact NZ-CD2 3.42Å; K305-H729 VanDerWaalsContact NZ-CG 3.3Å; K305-H729 PolarHBondContact NZ-NE2 2.97Å; S725-H729 PolarHBondContact O-N 2.86Å; S725-H729 PolarHBondContact O-ND1 3.01Å; T726-H729 PolarHBondContact O-N 3.26Å; W727-H729 PolarHBondContact O-N 3.36Å
730	S	84.7	Confident	85.5	Confident	72 Å²	72	59 Å²	59	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-95.1	-10.5	178.8	66.2	0	0	0	0	114.3	T726 W727	T726-S730 WeakPolarHBondContact O-CB 3.2Å; T726-S730 PolarHBondContact O-N 3.45Å; T726-S730 PolarHBondContact O-OG 2.67Å; W727-S730 PolarHBondContact O-N 2.99Å; W727-S730 VanDerWaalsContact O-N 3.13Å; W727-S730 PolarHBondContact O-OG 2.63Å
731	Y	84.9	Confident	85.5	Confident	50 Å²	50	60 Å²	60	20%	0.196	33%	0.329	C	S	.	.	S	Bend	trans	-61.3	127	-176.6	-164	-83.9	0	0	0	112.5	L309 S313 W727 L733	L309-Y731 HydrophobicContact CD1-CD1 3.25Å; L309-Y731 HydrophobicContact CD1-CD2 3.98Å; L309-Y731 HydrophobicContact CD1-CE1 3.67Å; L309-Y731 HydrophobicContact CD1-CE2 4.35Å; L309-Y731 HydrophobicContact CD1-CG 3.42Å; L309-Y731 VanDerWaalsContact CD1-CG 3.42Å; S313-Y731 WeakPolarHBondContact CA-OH 3.45Å; W727-Y731 AromaticContact CE2-CD2 3.93Å; W727-Y731 AromaticContact CZ2-CD2 3.92Å; W727-Y731 HydrophobicContact CZ2-CD2 3.92Å; W727-Y731 HydrophobicContact CZ2-CE2 4.34Å; W727-Y731 AromaticContact NE1-CD2 3.68Å; W727-Y731 PolarHBondContact O-N 2.84Å; Y731-L733 HydrophobicContact CD1-CD2 4.26Å; Y731-L733 PolarHBondContact O-N 3.11Å
732	P	84	Confident	85.5	Confident	91 Å²	91	60.4 Å²	60.4	59%	0.591	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.3	116.7	178.3	-20.7	32.7	0	0	0	112.4	N316	N316-P732 PolarHBondContact ND2-O 3.39Å
733	L	89.4	Confident	85.8	Confident	78 Å²	78	56.1 Å²	56.1	41%	0.408	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-95	142.1	177.2	-56.7	177.2	0	0	0	111.1	K305 H308 L309 S312 Y731	K305-L733 HydrophobicContact CG-CD1 4.13Å; H308-L733 HydrophobicContact CB-CD1 4.43Å; H308-L733 HydrophobicContact CB-CD2 4.32Å; L309-L733 HydrophobicContact CB-CD2 4.06Å; L309-L733 HydrophobicContact CD1-CD2 4.4Å; S312-L733 WeakPolarHBondContact OG-CA 3.47Å; Y731-L733 HydrophobicContact CD1-CD2 4.26Å; Y731-L733 PolarHBondContact O-N 3.11Å
734	I	85.4	Confident	85.9	Confident	11 Å²	11	54 Å²	54	6%	0.056	29%	0.292	C	S	.	.			trans	-105.6	155.5	170	64.7	176.3	0	0	0	110.7	S312 F315 N316 E738 A739	S312-I734 WeakPolarHBondContact OG-CG1 3.47Å; S312-I734 PolarHBondContact OG-N 3.15Å; F315-I734 HydrophobicContact CB-CD1 3.6Å; F315-I734 HydrophobicContact CD2-CD1 4.37Å; F315-I734 HydrophobicContact CG-CD1 4.44Å; N316-I734 WeakPolarHBondContact OD1-CG2 3.32Å; I734-E738 WeakPolarHBondContact CA-OE2 3.34Å; I734-E738 HydrophobicContact CB-CB 4.16Å; I734-E738 WeakPolarHBondContact CB-OE2 3.41Å; I734-A739 HydrophobicContact CD1-CB 3.71Å; I734-A739 HydrophobicContact CG1-CB 4.25Å
735	S	89.2	Confident	85.7	Confident	50 Å²	50	59.7 Å²	59.7	35%	0.35	32%	0.323	S	S	.	.			trans	-73.2	158.8	174.5	70.6	0	0	0	0	111.9	N737 E738 A739	S735-N737 PolarHBondContact O-N 3.45Å; S735-E738 PolarHBondContact N-OE2 3.22Å; S735-E738 PolarHBondContact O-N 3.12Å; S735-E738 VanDerWaalsContact O-N 3.14Å; S735-E738 VanDerWaalsContact OG-CG 3.28Å; S735-E738 WeakPolarHBondContact OG-CG 3.41Å; S735-E738 PolarHBondContact OG-N 3.5Å; S735-E738 PolarHBondContact OG-OE2 3.35Å; S735-A739 PolarHBondContact O-N 3.28Å
736	E	86.3	Confident	85.4	Confident	42 Å²	42	60.6 Å²	60.6	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-34.8	175.8	-169.9	-177	-169.7	0	0	111.9	P408 L740 R805	P408-E736 HydrophobicContact CG-CG 4.46Å; E736-L740 WeakPolarHBondContact O-CB 3.48Å; E736-L740 PolarHBondContact O-N 3.07Å; E736-R805 IonicContact OE1-NE 3.93Å; E736-R805 IonicContact OE2-CZ 3.27Å; E736-R805 VanDerWaalsContact OE2-CZ 3.27Å; E736-R805 IonicContact OE2-NE 2.97Å; E736-R805 PolarHBondContact OE2-NE 3.46Å; E736-R805 IonicContact OE2-NH2 2.72Å; E736-R805 PolarHBondContact OE2-NH2 3.31Å
737	N	89.1	Confident	85.2	Confident	98 Å²	98	58.9 Å²	58.9	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-70.8	-39.1	177.5	-66.1	-22.2	0	0	0	112	S735 L740 N741	S735-N737 PolarHBondContact O-N 3.45Å; N737-L740 WeakPolarHBondContact O-CB 3.36Å; N737-L740 PolarHBondContact O-N 3.37Å; N737-N741 VanDerWaalsContact O-CG 3.24Å; N737-N741 PolarHBondContact O-N 3.5Å; N737-N741 PolarHBondContact O-ND2 2.77Å; N737-N741 PolarHBondContact O-OD1 2.83Å
738	E	88.5	Confident	84.5	Confident	89 Å²	89	63.3 Å²	63.3	42%	0.416	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-42.3	174.2	-74.2	166.4	174.6	0	0	111.5	I734 S735 L740 N741 R742	I734-E738 WeakPolarHBondContact CA-OE2 3.34Å; I734-E738 HydrophobicContact CB-CB 4.16Å; I734-E738 WeakPolarHBondContact CB-OE2 3.41Å; S735-E738 PolarHBondContact N-OE2 3.22Å; S735-E738 PolarHBondContact O-N 3.12Å; S735-E738 VanDerWaalsContact O-N 3.14Å; S735-E738 VanDerWaalsContact OG-CG 3.28Å; S735-E738 WeakPolarHBondContact OG-CG 3.41Å; S735-E738 PolarHBondContact OG-N 3.5Å; S735-E738 PolarHBondContact OG-OE2 3.35Å; E738-L740 VanDerWaalsContact C-N 3.27Å; E738-L740 PolarHBondContact O-N 3.27Å; E738-N741 PolarHBondContact O-N 3.46Å; E738-R742 WeakPolarHBondContact O-CG 3.47Å; E738-R742 PolarHBondContact O-N 2.85Å
739	A	87	Confident	83.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.2	-42.9	172.8	0	0	0	0	0	110.8	Q311 F315 P408 I734 S735 S743	Q311-A739 HydrophobicContact CB-CB 4.39Å; F315-A739 HydrophobicContact CD2-CB 3.72Å; F315-A739 HydrophobicContact CE2-CB 4.14Å; P408-A739 HydrophobicContact CB-CB 3.97Å; P408-A739 HydrophobicContact CG-CB 4.08Å; I734-A739 HydrophobicContact CD1-CB 3.71Å; I734-A739 HydrophobicContact CG1-CB 4.25Å; S735-A739 PolarHBondContact O-N 3.28Å; A739-S743 VanDerWaalsContact O-CB 3.24Å; A739-S743 WeakPolarHBondContact O-CB 3.37Å; A739-S743 PolarHBondContact O-N 2.84Å
740	L	88.3	Confident	81.5	Confident	54 Å²	54	67.2 Å²	67.2	28%	0.283	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-46.3	176	-171.6	69.6	0	0	0	111.6	T407 P408 R411 E736 N737 E738 S743 C744	T407-L740 HydrophobicContact CG2-CD1 4.02Å; P408-L740 HydrophobicContact CG-CB 4.05Å; P408-L740 HydrophobicContact CG-CD1 4.14Å; R411-L740 VanDerWaalsContact NH1-CD1 3.32Å; R411-L740 PolarHBondContact NH2-O 3.29Å; E736-L740 WeakPolarHBondContact O-CB 3.48Å; E736-L740 PolarHBondContact O-N 3.07Å; N737-L740 WeakPolarHBondContact O-CB 3.36Å; N737-L740 PolarHBondContact O-N 3.37Å; E738-L740 VanDerWaalsContact C-N 3.27Å; E738-L740 PolarHBondContact O-N 3.27Å; L740-S743 PolarHBondContact O-N 3.03Å; L740-C744 PolarHBondContact O-N 2.96Å; L740-C744 PolarHBondContact O-SG 2.89Å
741	N	87.9	Confident	79.8	Confident	97 Å²	97	73 Å²	73	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-62.9	-48.7	179.5	-68.8	-15	0	0	0	111.1	N737 E738 S743 C744 D745	N737-N741 VanDerWaalsContact O-CG 3.24Å; N737-N741 PolarHBondContact O-N 3.5Å; N737-N741 PolarHBondContact O-ND2 2.77Å; N737-N741 PolarHBondContact O-OD1 2.83Å; E738-N741 PolarHBondContact O-N 3.46Å; N741-S743 PolarHBondContact O-N 2.98Å; N741-C744 WeakPolarHBondContact O-CA 3.46Å; N741-C744 VanDerWaalsContact O-CB 3.31Å; N741-C744 WeakPolarHBondContact O-CB 3.26Å; N741-C744 PolarHBondContact O-N 2.87Å; N741-D745 VanDerWaalsContact O-CG 3.27Å; N741-D745 PolarHBondContact O-N 2.88Å
742	R	83.8	Confident	78	Confident	88 Å²	88	79 Å²	79	33%	0.332	43%	0.428	S	S	.	.	H	α-helix	trans	-60.3	-36.4	177.6	-69.1	-177.2	-173.6	175.6	9.2	112.3	F315 N316 E738 D745 L746	F315-R742 HydrophobicContact CB-CB 4.23Å; F315-R742 HydrophobicContact CD1-CB 4.33Å; F315-R742 HydrophobicContact CG-CB 4.48Å; F315-R742 VanDerWaalsContact O-CD 3.22Å; F315-R742 WeakPolarHBondContact O-CD 3.34Å; F315-R742 PolarHBondContact O-NH1 3.26Å; N316-R742 PolarHBondContact OD1-NH1 2.75Å; E738-R742 WeakPolarHBondContact O-CG 3.47Å; E738-R742 PolarHBondContact O-N 2.85Å; R742-D745 PolarHBondContact O-N 2.9Å; R742-L746 WeakPolarHBondContact O-CB 3.17Å; R742-L746 VanDerWaalsContact O-CG 3.22Å; R742-L746 WeakPolarHBondContact O-CG 3.3Å; R742-L746 PolarHBondContact O-N 3.45Å; R742-L746 VanDerWaalsContact O-N 3.09Å
743	S	85.2	Confident	76.3	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-70.5	-30.2	174.8	167.3	0	0	0	0	112.5	P408 R411 A739 L740 N741 E747	P408-S743 VanDerWaalsContact O-CB 3.24Å; P408-S743 WeakPolarHBondContact O-CB 3.42Å; P408-S743 PolarHBondContact O-OG 3.23Å; R411-S743 PolarHBondContact NE-OG 3.02Å; R411-S743 PolarHBondContact NH2-OG 3.17Å; A739-S743 VanDerWaalsContact O-CB 3.24Å; A739-S743 WeakPolarHBondContact O-CB 3.37Å; A739-S743 PolarHBondContact O-N 2.84Å; L740-S743 PolarHBondContact O-N 3.03Å; N741-S743 PolarHBondContact O-N 2.98Å; S743-E747 PolarHBondContact O-N 2.86Å; S743-E747 VanDerWaalsContact O-N 3.15Å
744	C	82.2	Confident	74.2	Confident	52 Å²	52	79.5 Å²	79.5	35%	0.351	42%	0.42	S	S	.	.	H	α-helix	trans	-69.5	-38.7	172.7	-67.9	0	0	0	0	111.1	R411 L740 N741 L746 E747	R411-C744 PolarHBondContact NH1-SG 2.86Å; R411-C744 PolarHBondContact NH2-SG 3.16Å; R411-C744 VanDerWaalsContact NH2-SG 3.36Å; L740-C744 PolarHBondContact O-N 2.96Å; L740-C744 PolarHBondContact O-SG 2.89Å; N741-C744 WeakPolarHBondContact O-CA 3.46Å; N741-C744 VanDerWaalsContact O-CB 3.31Å; N741-C744 WeakPolarHBondContact O-CB 3.26Å; N741-C744 PolarHBondContact O-N 2.87Å; C744-L746 VanDerWaalsContact C-N 3.3Å; C744-E747 CarbonylContact O-C 3.41Å
745	D	80.2	Confident	72.4	Confident	134 Å²	134	86.4 Å²	86.4	72%	0.717	45%	0.453	S	S	*	.	H	α-helix	trans	-68	-33.2	179.3	-59.8	-29	0	0	0	111.7	N741 R742	N741-D745 VanDerWaalsContact O-CG 3.27Å; N741-D745 PolarHBondContact O-N 2.88Å; R742-D745 PolarHBondContact O-N 2.9Å
746	L	78	Confident	70.3	Confident	69 Å²	69	87.8 Å²	87.8	36%	0.361	45%	0.453	S	S	.	.	H	α-helix	trans	-74.8	-45.2	178	-75.2	172.7	0	0	0	113	F315 V370 R742 C744	F315-L746 HydrophobicContact CD1-CD1 4.03Å; F315-L746 HydrophobicContact CE1-CD1 4.18Å; V370-L746 HydrophobicContact CG1-CD2 3.7Å; R742-L746 WeakPolarHBondContact O-CB 3.17Å; R742-L746 VanDerWaalsContact O-CG 3.22Å; R742-L746 WeakPolarHBondContact O-CG 3.3Å; R742-L746 PolarHBondContact O-N 3.45Å; R742-L746 VanDerWaalsContact O-N 3.09Å; C744-L746 VanDerWaalsContact C-N 3.3Å
747	E	76.2	Confident	68.4	Low	22 Å²	22	89.3 Å²	89.3	10%	0.103	47%	0.465	C	S	.	.	S	Bend	trans	-133.4	92.6	-179.2	-67.5	-174.5	-168.6	0	0	109.8	L412 W413 H414 S743 C744	L412-E747 VanDerWaalsContact C-OE2 3.3Å; L412-E747 WeakPolarHBondContact CA-OE2 3.48Å; L412-E747 HydrophobicContact CD2-CG 4.42Å; W413-E747 PolarHBondContact N-OE2 2.87Å; W413-E747 PolarHBondContact NE1-OE2 3.5Å; H414-E747 WeakPolarHBondContact CB-OE1 3.36Å; S743-E747 PolarHBondContact O-N 2.86Å; S743-E747 VanDerWaalsContact O-N 3.15Å; C744-E747 CarbonylContact O-C 3.41Å
748	P	69.8	Low	66	Low	101 Å²	101	90.3 Å²	90.3	66%	0.656	47%	0.471	S	S	*	.			trans	-65.5	149.2	178.5	25.9	-32.9	0	0	0	111.3	D750	P748-D750 PolarHBondContact O-N 3.24Å; P748-D750 VanDerWaalsContact O-N 3.15Å
749	A	59.1	Low	63.4	Low	87 Å²	87	94.7 Å²	94.7	72%	0.719	48%	0.483	S	S	*	.			trans	-72.6	105.6	-175.1	0	0	0	0	0	112.2
750	D	51.7	Low	60.9	Low	126 Å²	126	98.7 Å²	98.7	67%	0.674	51%	0.509	S	S	*	.			trans	-81	148.4	162.6	-96	-30.9	0	0	0	111.3	P748 Q752 M753	P748-D750 PolarHBondContact O-N 3.24Å; P748-D750 VanDerWaalsContact O-N 3.15Å; D750-Q752 PolarHBondContact O-N 3.42Å; D750-M753 HydrophobicContact CB-CG 4.41Å; D750-M753 WeakPolarHBondContact O-CB 3.42Å; D750-M753 WeakPolarHBondContact O-CG 3.39Å; D750-M753 PolarHBondContact O-N 2.96Å
751	E	48.6	Very low	58.8	Low	193 Å²	193	99.5 Å²	99.5	90%	0.902	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-58.2	-22.2	-175	-72.7	-165.7	155	0	0	114.9	M753	E751-M753 PolarHBondContact O-N 3.29Å
752	Q	48.1	Very low	56.1	Low	178 Å²	178	98.6 Å²	98.6	83%	0.832	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-70.1	-14.4	174.8	-61.1	-174.8	7.7	0	0	112.8	D750	D750-Q752 PolarHBondContact O-N 3.42Å
753	M	49.1	Very low	53.4	Low	27 Å²	27	98 Å²	98	13%	0.133	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-74.1	-26.4	-170.4	-76	-84.6	-70.8	0	0	115.9	R411 W413 D750 E751 Q755 H756	R411-M753 HydrophobicContact CG-CE 3.55Å; W413-M753 HydrophobicContact CB-SD 4.43Å; W413-M753 HydrophobicContact CG-SD 3.88Å; D750-M753 HydrophobicContact CB-CG 4.41Å; D750-M753 WeakPolarHBondContact O-CB 3.42Å; D750-M753 WeakPolarHBondContact O-CG 3.39Å; D750-M753 PolarHBondContact O-N 2.96Å; E751-M753 PolarHBondContact O-N 3.29Å; M753-Q755 PolarHBondContact O-N 3.43Å; M753-H756 PolarHBondContact O-N 3.23Å
754	Q	44.7	Very low	50.5	Low	151 Å²	151	102 Å²	102	71%	0.706	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-18.2	-176.5	-69.4	-169.6	5.4	0	0	112.2	N758	Q754-N758 VanDerWaalsContact O-CB 3.24Å; Q754-N758 WeakPolarHBondContact O-CB 3.46Å; Q754-N758 PolarHBondContact O-N 2.89Å; Q754-N758 PolarHBondContact O-ND2 3.42Å
755	Q	46.4	Very low	47.7	Very low	157 Å²	157	104.7 Å²	104.7	73%	0.734	57%	0.57	S	S	*	*	H	α-helix	trans	-74.8	-31.3	178.4	-63	-173.4	15.3	0	0	113.5	M753 N758 R759	M753-Q755 PolarHBondContact O-N 3.43Å; Q755-N758 CarbonylContact O-C 3.59Å; Q755-R759 PolarHBondContact O-N 2.88Å; Q755-R759 VanDerWaalsContact O-N 3.1Å
756	H	46.6	Very low	45.1	Very low	79 Å²	79	108.2 Å²	108.2	37%	0.366	58%	0.575	S	S	.	*	H	α-helix	trans	-83.7	-36.4	-175.8	-123.1	-99.9	0	0	0	113.1	M753 N758 R759	M753-H756 PolarHBondContact O-N 3.23Å; H756-N758 PolarHBondContact O-N 2.85Å; H756-R759 PolarHBondContact O-N 3.4Å
757	V	45.8	Very low	42.4	Very low	73 Å²	73	110 Å²	110	44%	0.442	59%	0.589	S	S	.	*	H	α-helix	trans	-63.8	-31.6	169.7	-178	0	0	0	0	110.8
758	N	38.1	Very low	39.9	Very low	120 Å²	120	118.1 Å²	118.1	64%	0.642	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-2.3	177.6	-68.5	-24.6	0	0	0	114.2	Q754 Q755 H756 P760	Q754-N758 VanDerWaalsContact O-CB 3.24Å; Q754-N758 WeakPolarHBondContact O-CB 3.46Å; Q754-N758 PolarHBondContact O-N 2.89Å; Q754-N758 PolarHBondContact O-ND2 3.42Å; Q755-N758 CarbonylContact O-C 3.59Å; H756-N758 PolarHBondContact O-N 2.85Å; N758-P760 WeakPolarHBondContact O-CD 3.43Å
759	R	34.5	Very low	37.6	Very low	181 Å²	181	120.3 Å²	120.3	68%	0.683	63%	0.63	S	S	*	*	S	Bend	trans	-88.6	98.1	165.6	-102	-175.1	-168.7	-174.5	4	107.9	Q755 H756 F761	Q755-R759 PolarHBondContact O-N 2.88Å; Q755-R759 VanDerWaalsContact O-N 3.1Å; H756-R759 PolarHBondContact O-N 3.4Å; R759-F761 PolarHBondContact O-N 3.31Å; R759-F761 VanDerWaalsContact O-N 3.08Å
760	P	34.5	Very low	35.8	Very low	83 Å²	83	121.7 Å²	121.7	54%	0.539	63%	0.63	S	S	.	*			trans	-56.5	123.6	163.1	24.2	-31.5	0	0	0	106.8	N758 S762 A763	N758-P760 WeakPolarHBondContact O-CD 3.43Å; P760-S762 PolarHBondContact O-N 2.84Å; P760-A763 HydrophobicContact CG-CB 4.12Å; P760-A763 PolarHBondContact O-N 2.97Å; P760-A763 VanDerWaalsContact O-N 3.14Å
761	F	44.9	Very low	34.4	Very low	72 Å²	72	120.4 Å²	120.4	32%	0.316	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.3	6.4	172.2	-80.4	-81	0	0	0	113.5	L410 F427 R759	L410-F761 HydrophobicContact CD2-CD2 4.19Å; L410-F761 HydrophobicContact CD2-CE2 3.87Å; F427-F761 HydrophobicContact CE2-CE1 4.21Å; F427-F761 HydrophobicContact CZ-CE1 4.07Å; R759-F761 PolarHBondContact O-N 3.31Å; R759-F761 VanDerWaalsContact O-N 3.08Å
762	S	30.8	Very low	33.2	Very low	78 Å²	78	118.7 Å²	118.7	55%	0.545	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	0.9	179	-157.6	0	0	0	0	115	P760	P760-S762 PolarHBondContact O-N 2.84Å
763	A	26.2	Very low	32	Very low	74 Å²	74	116.2 Å²	116.2	61%	0.612	63%	0.63	S	S	*	*			trans	-131.1	70.5	-177.8	0	0	0	0	0	113.2	P760	P760-A763 HydrophobicContact CG-CB 4.12Å; P760-A763 PolarHBondContact O-N 2.97Å; P760-A763 VanDerWaalsContact O-N 3.14Å
764	S	24	Very low	30.8	Very low	85 Å²	85	119.9 Å²	119.9	59%	0.594	66%	0.659	S	S	*	*			trans	-123.2	101	146.5	-173.2	0	0	0	0	106.6	Y766	S764-Y766 PolarHBondContact O-N 2.9Å; S764-Y766 WeakPolarHBondContact OG-CD2 3.11Å
765	P	24.4	Very low	29.7	Very low	108 Å²	108	116.1 Å²	116.1	70%	0.701	66%	0.66	S	S	*	*			trans	-68	89.7	163.2	28.7	-26.8	0	0	0	105.6	T767	P765-T767 PolarHBondContact O-N 3.26Å
766	Y	25.6	Very low	28.4	Very low	209 Å²	209	113.8 Å²	113.8	82%	0.82	67%	0.668	S	S	*	*			trans	-66.6	83.6	151.7	-88.7	-85.7	0	0	0	105.4	S764 F768	S764-Y766 PolarHBondContact O-N 2.9Å; S764-Y766 WeakPolarHBondContact OG-CD2 3.11Å; Y766-F768 PolarHBondContact O-N 3.35Å
767	T	22.2	Very low	27.2	Very low	105 Å²	105	115.5 Å²	115.5	64%	0.644	68%	0.683	S	S	*	*			trans	-57.1	121.5	152.2	39	0	0	0	0	105.9	P765 D769	P765-T767 PolarHBondContact O-N 3.26Å; T767-D769 PolarHBondContact O-N 3.36Å
768	F	22.2	Very low	26.1	Very low	194 Å²	194	118.4 Å²	118.4	85%	0.851	70%	0.697	S	S	*	*			trans	-71	66.4	-178.8	-147	-90.3	0	0	0	108.6	Y766 T770	Y766-F768 PolarHBondContact O-N 3.35Å; F768-T770 PolarHBondContact O-N 2.91Å; F768-T770 PolarHBondContact O-OG1 3.48Å
769	D	22.1	Very low	25.4	Very low	147 Å²	147	119.5 Å²	119.5	79%	0.786	70%	0.701	S	S	*	*			trans	-83.5	114.2	177.2	-109.3	-25.8	0	0	0	110	T767 S771	T767-D769 PolarHBondContact O-N 3.36Å; D769-S771 PolarHBondContact O-N 2.88Å
770	T	21.2	Very low	24.7	Very low	115 Å²	115	118.9 Å²	118.9	71%	0.706	71%	0.709	S	S	*	*			trans	-94.3	76.6	-171.6	-48.6	0	0	0	0	107.6	F768	F768-T770 PolarHBondContact O-N 2.91Å; F768-T770 PolarHBondContact O-OG1 3.48Å
771	S	23.1	Very low	24.2	Very low	99 Å²	99	121.7 Å²	121.7	69%	0.692	72%	0.72	S	S	*	*			trans	172.8	93.6	161.4	36.6	0	0	0	0	110.8	D769	D769-S771 PolarHBondContact O-N 2.88Å
772	D	23.4	Very low	23	Very low	158 Å²	158	123 Å²	123	85%	0.845	73%	0.734	S	S	*	*			trans	-170.7	82.8	134	-103.3	-19.5	0	0	0	109.3
773	S	21.3	Very low	22.6	Very low	126 Å²	126	126.7 Å²	126.7	88%	0.881	75%	0.748	S	S	*	*			trans	-94.3	82.4	157.9	64.2	0	0	0	0	107.7
774	S	23.9	Very low	22.5	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	76%	0.762	S	S	*	*			trans	-153.6	133	159.2	78	0	0	0	0	111.2
775	G	22.7	Very low	22.4	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	77%	0.768	S	S	*	*			trans	87.5	54.5	153.2	0	0	0	0	0	118.3	V777	G775-V777 VanDerWaalsContact C-N 3.26Å; G775-V777 PolarHBondContact O-N 3.19Å
776	A	18.8	Very low	22.3	Very low	108 Å²	108	140.6 Å²	140.6	89%	0.893	78%	0.778	S	S	*	*			trans	-80.5	74.2	153.9	0	0	0	0	0	109.9
777	V	21.7	Very low	22.2	Very low	114 Å²	114	139.9 Å²	139.9	69%	0.691	78%	0.781	S	S	*	*			trans	-151.3	100.6	169.9	-177.6	0	0	0	0	108.3	G775	G775-V777 VanDerWaalsContact C-N 3.26Å; G775-V777 PolarHBondContact O-N 3.19Å
778	D	23.6	Very low	22.3	Very low	135 Å²	135	144 Å²	144	72%	0.722	79%	0.793	S	S	*	*				163.4	113.7	122.7	-88.4	-30.5	0	0	0	113.8
779	I	22.3	Very low	22.5	Very low	143 Å²	143	146.3 Å²	146.3	73%	0.733	80%	0.796	S	S	*	*				55	107.6	124.1	-56.3	171.6	0	0	0	118.2	N781	I779-N781 PolarHBondContact O-N 2.9Å
780	I	19.9	Very low	22.7	Very low	167 Å²	167	146.1 Å²	146.1	86%	0.856	80%	0.795	S	S	*	*			trans	-32.1	112.5	147.3	-60.1	161.6	0	0	0	111.4
781	N	23.3	Very low	22.7	Very low	143 Å²	143	148 Å²	148	77%	0.765	80%	0.801	S	S	*	*			trans	-133.7	131.4	157.4	-164.7	2.9	0	0	0	111	I779	I779-N781 PolarHBondContact O-N 2.9Å
782	T	21.5	Very low	23	Very low	99 Å²	99	148.8 Å²	148.8	61%	0.607	80%	0.802	S	S	*	*			trans	-60.6	147.7	-176.5	48.4	0	0	0	0	114.9
783	N	20.7	Very low	23	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	80%	0.803	S	S	*	*			trans	47.6	95.6	142.3	-63.6	-24.7	0	0	0	118.3
784	K	24.1	Very low	23.1	Very low	208 Å²	208	149.5 Å²	149.5	90%	0.904	80%	0.795	S	S	*	*			trans	-134.6	134.4	145.8	-96.3	-176.3	178.7	176.9	0	111.6
785	P	23.2	Very low	23	Very low	113 Å²	113	152.7 Å²	152.7	73%	0.734	80%	0.797	S	S	*	*			trans	-90.4	153.9	-172.1	35.7	-33.5	0	0	0	113.5
786	R	20.8	Very low	23	Very low	237 Å²	237	155 Å²	155	89%	0.894	80%	0.797	S	S	*	*			trans	47.4	96.8	154.2	-74.6	-179.5	173.5	160.5	-1.9	117.3
787	H	25.1	Very low	23.2	Very low	194 Å²	194	157.9 Å²	157.9	90%	0.898	79%	0.792	S	S	*	*			trans	-116.9	111.7	141.5	-88.1	-64.4	0	0	0	110.1	R789	H787-R789 PolarHBondContact O-N 3.46Å
788	Q	23.6	Very low	23.2	Very low	192 Å²	192	164.1 Å²	164.1	90%	0.897	80%	0.803	S	S	*	*			trans	-69.1	109.4	171.1	-157.8	159.4	10.5	0	0	106.9
789	R	26.2	Very low	23.1	Very low	242 Å²	242	162 Å²	162	91%	0.913	80%	0.799	S	S	*	*			trans	-121.3	106.1	179.4	-142	177.8	-162	169.6	4.3	109.9	H787	H787-R789 PolarHBondContact O-N 3.46Å
790	N	25.5	Very low	23.2	Very low	143 Å²	143	165 Å²	165	77%	0.765	81%	0.807	S	S	*	*			trans	-18.9	131.2	174.3	-60.8	-15.7	0	0	0	117.8	T792	N790-T792 PolarHBondContact O-N 3.41Å; N790-T792 VanDerWaalsContact O-N 3.16Å
791	D	22.8	Very low	23.5	Very low	154 Å²	154	166.6 Å²	166.6	82%	0.824	80%	0.803	S	S	*	*			trans	-59.8	102	166.5	-61.7	-53.3	0	0	0	111.4
792	T	28	Very low	23.4	Very low	116 Å²	116	163.5 Å²	163.5	71%	0.712	80%	0.798	S	S	*	*			trans	-100.6	99.2	157	53.6	0	0	0	0	108.2	N790 I794	N790-T792 PolarHBondContact O-N 3.41Å; N790-T792 VanDerWaalsContact O-N 3.16Å; T792-I794 VanDerWaalsContact C-N 3.28Å; T792-I794 PolarHBondContact O-N 2.93Å
793	N	23.6	Very low	23.6	Very low	161 Å²	161	165.1 Å²	165.1	86%	0.861	80%	0.802	S	S	*	*			trans	-58.5	83.2	171.3	-81.4	-44.3	0	0	0	110.8	H795	N793-H795 PolarHBondContact O-N 3.42Å
794	I	23	Very low	23.7	Very low	139 Å²	139	163 Å²	163	71%	0.713	79%	0.794	S	S	*	*			trans	-85.1	102.7	163.8	-61.4	178.1	0	0	0	106.3	T792 V796	T792-I794 VanDerWaalsContact C-N 3.28Å; T792-I794 PolarHBondContact O-N 2.93Å; I794-V796 VanDerWaalsContact C-N 3.29Å; I794-V796 HydrophobicContact CG2-CG2 4.32Å; I794-V796 PolarHBondContact O-N 3Å
795	H	22.2	Very low	23.8	Very low	170 Å²	170	159.7 Å²	159.7	79%	0.787	78%	0.776	S	S	*	*			trans	-63.7	84.7	175.7	-174.8	-40.4	0	0	0	109.7	N793 E797	N793-H795 PolarHBondContact O-N 3.42Å; H795-E797 PolarHBondContact O-N 3.3Å
796	V	23.6	Very low	24	Very low	122 Å²	122	157.4 Å²	157.4	74%	0.739	76%	0.761	S	S	*	*			trans	-72.9	112	172.5	179.4	0	0	0	0	108.2	I794 R798	I794-V796 VanDerWaalsContact C-N 3.29Å; I794-V796 HydrophobicContact CG2-CG2 4.32Å; I794-V796 PolarHBondContact O-N 3Å; V796-R798 PolarHBondContact O-N 3.39Å
797	E	22.1	Very low	24.2	Very low	168 Å²	168	151.9 Å²	151.9	79%	0.785	76%	0.756	S	S	*	*			trans	-51.2	123	173.1	-89.4	-175.8	138.4	0	0	111	H795 S799	H795-E797 PolarHBondContact O-N 3.3Å; E797-S799 PolarHBondContact O-N 3.4Å
798	R	21.1	Very low	24.2	Very low	244 Å²	244	146.5 Å²	146.5	92%	0.921	74%	0.74	S	S	*	*			trans	-59.8	104.4	173.7	-142.4	177	-168.7	-162.4	3.3	108.6	V796	V796-R798 PolarHBondContact O-N 3.39Å
799	S	23.3	Very low	24.3	Very low	91 Å²	91	140 Å²	140	64%	0.636	72%	0.72	S	S	*	*			trans	-65.6	138.6	179.1	59.5	0	0	0	0	110.8	E797 Y801	E797-S799 PolarHBondContact O-N 3.4Å; S799-Y801 PolarHBondContact O-N 3.13Å
800	K	24.1	Very low	24.1	Very low	205 Å²	205	133.2 Å²	133.2	89%	0.891	71%	0.705	S	S	*	*	S	Bend	trans	-67.9	23.9	-166.7	-67.7	173.7	-175.6	171	0	115.9	A802	K800-A802 PolarHBondContact O-N 2.91Å
801	Y	25.5	Very low	23.9	Very low	201 Å²	201	131.8 Å²	131.8	79%	0.788	70%	0.704	S	S	*	*			trans	-104.2	64.2	-171.5	-53.7	-74.5	0	0	0	111	S799	S799-Y801 PolarHBondContact O-N 3.13Å
802	A	21.8	Very low	23.8	Very low	79 Å²	79	132.1 Å²	132.1	65%	0.653	70%	0.704	S	S	*	*			trans	-72.2	141.4	164.4	0	0	0	0	0	109.3	K800 T804	K800-A802 PolarHBondContact O-N 2.91Å; A802-T804 PolarHBondContact O-N 2.98Å
803	I	24.5	Very low	23.5	Very low	133 Å²	133	136.8 Å²	136.8	68%	0.682	71%	0.71	S	S	*	*			trans	-50.3	96.9	168.5	-61.3	162.9	0	0	0	107.8	R805	I803-R805 PolarHBondContact O-N 3.46Å; I803-R805 VanDerWaalsContact O-N 3.16Å
804	T	23	Very low	23.4	Very low	111 Å²	111	133.5 Å²	133.5	68%	0.681	71%	0.705	S	S	*	*			trans	-83.5	97.3	176.6	42.7	0	0	0	0	107.3	A802	A802-T804 PolarHBondContact O-N 2.98Å
805	R	26.3	Very low	23.4	Very low	139 Å²	139	132.8 Å²	132.8	53%	0.525	71%	0.707	S	S	.	*			trans	-48.1	136.2	168.4	-146	174.9	-174.9	179.3	2.4	108.6	E736 I803	E736-R805 IonicContact OE1-NE 3.93Å; E736-R805 IonicContact OE2-CZ 3.27Å; E736-R805 VanDerWaalsContact OE2-CZ 3.27Å; E736-R805 IonicContact OE2-NE 2.97Å; E736-R805 PolarHBondContact OE2-NE 3.46Å; E736-R805 IonicContact OE2-NH2 2.72Å; E736-R805 PolarHBondContact OE2-NH2 3.31Å; I803-R805 PolarHBondContact O-N 3.46Å; I803-R805 VanDerWaalsContact O-N 3.16Å
806	P	27.1	Very low	23.3	Very low	64 Å²	64	131 Å²	131	42%	0.416	71%	0.709	S	S	.	*			trans	-57.9	148.7	167.8	24.2	-29.6	0	0	0	108.9	S808	P806-S808 PolarHBondContact O-N 2.88Å
807	P	26.2	Very low	23.2	Very low	122 Å²	122	131.1 Å²	131.1	79%	0.792	71%	0.709	S	S	*	*			trans	-60.8	105.8	174.5	1.9	6.6	0	0	0	107.5	A809	P807-A809 PolarHBondContact O-N 3.2Å
808	S	24.9	Very low	23.1	Very low	80 Å²	80	130 Å²	130	56%	0.559	71%	0.714	S	S	*	*			trans	-62.4	110.3	172	24.2	0	0	0	0	107.4	P806 T810	P806-S808 PolarHBondContact O-N 2.88Å; S808-T810 PolarHBondContact O-N 2.82Å
809	A	24.7	Very low	23.1	Very low	57 Å²	57	124.3 Å²	124.3	47%	0.471	71%	0.707	S	S	.	*			trans	-70.9	68	166.9	0	0	0	0	0	109	P807	P807-A809 PolarHBondContact O-N 3.2Å
810	T	22.5	Very low	23	Very low	98 Å²	98	126.6 Å²	126.6	60%	0.601	72%	0.717	S	S	*	*			trans	-140	117.4	165.9	44.1	0	0	0	0	108	S808 I812	S808-T810 PolarHBondContact O-N 2.82Å; T810-I812 PolarHBondContact O-N 3.03Å
811	P	22.4	Very low	22.9	Very low	114 Å²	114	121.8 Å²	121.8	74%	0.74	71%	0.71	S	S	*	*			trans	-60.7	120.5	166.8	-9.7	23.7	0	0	0	106.9	Y813	P811-Y813 PolarHBondContact O-N 3.03Å
812	I	21	Very low	22.7	Very low	160 Å²	160	119.9 Å²	119.9	82%	0.821	71%	0.711	S	S	*	*			trans	-58.9	106.1	176.5	-63	168.7	0	0	0	107.2	T810 A814	T810-I812 PolarHBondContact O-N 3.03Å; I812-A814 PolarHBondContact O-N 3.2Å; I812-A814 VanDerWaalsContact O-N 3.13Å
813	Y	21.5	Very low	22.6	Very low	214 Å²	214	124.7 Å²	124.7	84%	0.839	72%	0.722	S	S	*	*			trans	-65.7	106.9	158.9	-78.9	-83.3	0	0	0	106.2	P811 T815	P811-Y813 PolarHBondContact O-N 3.03Å; Y813-T815 PolarHBondContact O-N 3.15Å
814	A	21.4	Very low	22.4	Very low	92 Å²	92	128.9 Å²	128.9	76%	0.76	73%	0.73	S	S	*	*			trans	-64.5	103.3	173.5	0	0	0	0	0	108.4	I812 T816	I812-A814 PolarHBondContact O-N 3.2Å; I812-A814 VanDerWaalsContact O-N 3.13Å; A814-T816 PolarHBondContact O-N 3Å
815	T	21.6	Very low	22.3	Very low	125 Å²	125	131 Å²	131	77%	0.767	74%	0.737	S	S	*	*			trans	-65	114.9	166.7	-37.5	0	0	0	0	107.5	Y813 T817	Y813-T815 PolarHBondContact O-N 3.15Å; T815-T817 PolarHBondContact O-N 2.96Å
816	T	20.5	Very low	22.1	Very low	133 Å²	133	129 Å²	129	82%	0.816	74%	0.742	S	S	*	*			trans	-57.8	97.6	172.2	30.3	0	0	0	0	110.6	A814	A814-T816 PolarHBondContact O-N 3Å
817	T	22.9	Very low	21.9	Very low	123 Å²	123	133.4 Å²	133.4	76%	0.755	76%	0.762	S	S	*	*			trans	-109.5	107	153.9	31.2	0	0	0	0	108.2	T815 T819	T815-T817 PolarHBondContact O-N 2.96Å; T817-T819 PolarHBondContact O-N 3.47Å
818	T	18.4	Very low	21.7	Very low	145 Å²	145	133.7 Å²	133.7	89%	0.89	76%	0.762	S	S	*	*			trans	-55.6	97.5	169	16.2	0	0	0	0	110.2
819	T	22.6	Very low	21.4	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	78%	0.775	S	S	*	*			trans	-138.7	114.6	156.2	-17.4	0	0	0	0	109.2	T817 S821	T817-T819 PolarHBondContact O-N 3.47Å; T819-S821 PolarHBondContact O-N 2.91Å
820	T	19.9	Very low	21.3	Very low	140 Å²	140	144.4 Å²	144.4	86%	0.859	80%	0.797	S	S	*	*			trans	-49.6	108	173.3	47.4	0	0	0	0	112.4
821	S	22.5	Very low	21.3	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	80%	0.8	S	S	*	*			trans	-171.3	108.2	143.1	57.6	0	0	0	0	110.2	T819 M823	T819-S821 PolarHBondContact O-N 2.91Å; S821-M823 PolarHBondContact O-N 3.43Å; S821-M823 VanDerWaalsContact O-N 3.11Å
822	I	20.3	Very low	21.2	Very low	160 Å²	160	146.5 Å²	146.5	82%	0.821	81%	0.806	S	S	*	*			trans	-57.1	104.6	171.4	-62.4	155.1	0	0	0	108.6
823	M	19.9	Very low	21.3	Very low	180 Å²	180	146.7 Å²	146.7	89%	0.887	81%	0.806	S	S	*	*			trans	-106.2	100.6	161	-80	-141.2	88.6	0	0	109.3	S821	S821-M823 PolarHBondContact O-N 3.43Å; S821-M823 VanDerWaalsContact O-N 3.11Å
824	R	20.9	Very low	21.2	Very low	222 Å²	222	141.5 Å²	141.5	84%	0.838	80%	0.802	S	S	*	*			trans	-63.6	138	170.2	-95.2	176.4	-171.6	155.8	4	110.6	P826	R824-P826 WeakPolarHBondContact O-CD 3.49Å
825	N	21.5	Very low	21.4	Very low	154 Å²	154	142.2 Å²	142.2	82%	0.824	80%	0.801	S	S	*	*			trans	-54.5	115.8	168.8	-167.8	-0.7	0	0	0	111.5
826	P	22	Very low	21.3	Very low	99 Å²	99	141.7 Å²	141.7	64%	0.643	80%	0.802	S	S	*	*			trans	-89.1	117.8	173.7	32.1	-24.6	0	0	0	108.5	R824	R824-P826 WeakPolarHBondContact O-CD 3.49Å
827	N	22.2	Very low	21.6	Very low	156 Å²	156	141.9 Å²	141.9	83%	0.834	80%	0.804	S	S	*	*			trans	170	74.4	147.7	-82.5	-20.3	0	0	0	109.6
828	T	21.6	Very low	21.5	Very low	128 Å²	128	141.8 Å²	141.8	79%	0.785	81%	0.808	S	S	*	*			trans	-135.9	121.4	159.4	43.2	0	0	0	0	109.7
829	H	20.2	Very low	21.9	Very low	182 Å²	182	138.4 Å²	138.4	84%	0.843	80%	0.802	S	S	*	*			trans	39.7	100.8	151.5	-75.2	-86.2	0	0	0	119
830	I	22.6	Very low	21.9	Very low	179 Å²	179	137.7 Å²	137.7	92%	0.918	80%	0.802	S	S	*	*			trans	-89.4	108.2	156.7	-64.2	174.6	0	0	0	107.7
831	S	21.4	Very low	21.9	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	80%	0.802	S	S	*	*			trans	-94	132.7	167.1	49	0	0	0	0	110.6
832	N	19.4	Very low	22.1	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	80%	0.802	S	S	*	*			trans	-10.5	119.2	159.6	-60	-21.4	0	0	0	117.5
833	I	24.6	Very low	22.2	Very low	163 Å²	163	141.7 Å²	141.7	84%	0.836	80%	0.803	S	S	*	*			trans	-135.3	131.3	146.8	-62.5	-176.7	0	0	0	110.2
834	S	19.7	Very low	22.3	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	79%	0.794	S	S	*	*			trans	-53.8	169.2	178.4	-26.8	0	0	0	0	116.7
835	S	24.2	Very low	22.5	Very low	107 Å²	107	137 Å²	137	75%	0.748	80%	0.798	S	S	*	*			trans	113.7	90.7	157	71.9	0	0	0	0	113.5
836	S	20.2	Very low	22.5	Very low	113 Å²	113	139.5 Å²	139.5	79%	0.79	80%	0.801	S	S	*	*				67.1	90.7	89.5	69.6	0	0	0	0	113.4
837	T	27.7	Very low	22.5	Very low	138 Å²	138	140 Å²	140	85%	0.847	81%	0.808	S	S	*	*			trans	-142.5	110.8	145.1	-39.2	0	0	0	0	109.5
838	S	20.3	Very low	22.4	Very low	120 Å²	120	143 Å²	143	84%	0.839	81%	0.807	S	S	*	*			trans	-43.7	132.1	167.3	33.6	0	0	0	0	114.5
839	G	26	Very low	22.6	Very low	75 Å²	75	144.4 Å²	144.4	77%	0.773	81%	0.808	S	S	*	*			trans	-163.4	85.3	172.3	0	0	0	0	0	112.1
840	S	23.6	Very low	22.7	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	80%	0.798	S	S	*	*			trans	38.5	113.9	149.1	-169.3	0	0	0	0	121.7
841	L	20	Very low	22.7	Very low	163 Å²	163	136.1 Å²	136.1	85%	0.853	79%	0.789	S	S	*	*			trans	17.5	123.5	134.3	-67.1	102.5	0	0	0	119.7
842	S	24.9	Very low	22.8	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	79%	0.793	S	S	*	*				155.7	122.5	101.4	-167.9	0	0	0	0	113.4
843	R	22.9	Very low	22.9	Very low	220 Å²	220	140.9 Å²	140.9	83%	0.83	80%	0.796	S	S	*	*			trans	49.8	114.6	147.3	-90.7	173.2	168.9	162.7	-3.6	122.4
844	N	21.9	Very low	22.9	Very low	131 Å²	131	138.9 Å²	138.9	70%	0.701	80%	0.796	S	S	*	*				48.3	107	121.9	-67.7	-10.9	0	0	0	119.2
845	N	25.4	Very low	22.9	Very low	171 Å²	171	138.5 Å²	138.5	91%	0.914	79%	0.793	S	S	*	*				-151.2	119	118.4	-99.4	-27.6	0	0	0	111
846	K	20.8	Very low	22.8	Very low	207 Å²	207	138.6 Å²	138.6	90%	0.9	79%	0.794	S	S	*	*			trans	-92.1	119.3	168.9	-75.2	172.6	174.7	171.5	0	107.2
847	S	23.6	Very low	23.3	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	80%	0.796	S	S	*	*			trans	-141.8	107.1	153.1	60.5	0	0	0	0	108.9
848	R	20.2	Very low	23.2	Very low	217 Å²	217	141.5 Å²	141.5	82%	0.819	80%	0.795	S	S	*	*			trans	-80.8	118.4	-177.8	-179.7	-178.3	-176.3	176.7	1.1	108.2
849	I	24.1	Very low	23.3	Very low	159 Å²	159	143 Å²	143	82%	0.815	79%	0.793	S	S	*	*			trans	-111.1	95.2	168.2	-59.1	177.3	0	0	0	106.9
850	N	23.1	Very low	23.2	Very low	117 Å²	117	146.5 Å²	146.5	63%	0.626	79%	0.793	S	S	*	*			trans	-100.7	104.8	165.7	-81.7	2.1	0	0	0	106.9
851	G	23	Very low	23.4	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	80%	0.796	S	S	*	*			trans	-98.4	85.5	167.3	0	0	0	0	0	109.4
852	T	23.1	Very low	23.7	Very low	127 Å²	127	147.3 Å²	147.3	78%	0.779	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.7	127.9	172.9	18.6	0	0	0	0	110.4	S854	T852-S854 PolarHBondContact O-N 2.94Å
853	Y	20.7	Very low	23.6	Very low	230 Å²	230	151.3 Å²	151.3	90%	0.902	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-50.6	117.3	167.2	-63.3	-91.5	0	0	0	111.2
854	S	26	Very low	23.6	Very low	120 Å²	120	150 Å²	150	84%	0.839	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-102.8	121.6	168.4	-164.6	0	0	0	0	108.7	T852	T852-S854 PolarHBondContact O-N 2.94Å
855	S	19.8	Very low	23.7	Very low	99 Å²	99	151.1 Å²	151.1	69%	0.692	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.6	155.1	171	-61.7	0	0	0	0	109.8
856	S	21.3	Very low	23.4	Very low	109 Å²	109	153.5 Å²	153.5	76%	0.762	79%	0.791	S	S	*	*			trans	66.4	102.6	160.9	64.2	0	0	0	0	118.8
857	D	30.1	Very low	23.6	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	78%	0.783	S	S	*	*			trans	-136.7	118.1	140.3	-84	-40.3	0	0	0	108.6
858	L	25.8	Very low	23.5	Very low	157 Å²	157	149.1 Å²	149.1	82%	0.822	78%	0.782	S	S	*	*			trans	32.3	106.2	146.6	-70.3	153	0	0	0	117.9
859	L	23.2	Very low	23.9	Very low	152 Å²	152	144.4 Å²	144.4	80%	0.796	78%	0.777	S	S	*	*				48.1	104.9	76.8	-130.2	84.2	0	0	0	114.9
860	D	24.7	Very low	23.9	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	78%	0.775	S	S	*	*			trans	41.1	97	148.2	-62.8	-32.8	0	0	0	118.5
861	D	26.8	Very low	23.8	Very low	153 Å²	153	144.2 Å²	144.2	82%	0.818	78%	0.783	S	S	*	*			trans	-133.6	127.7	151.1	-104.8	-26.7	0	0	0	111.3
862	I	25.9	Very low	24	Very low	136 Å²	136	150.4 Å²	150.4	70%	0.697	79%	0.793	S	S	*	*			trans	85.8	75.6	153.6	-50.3	158.1	0	0	0	116
863	K	23.8	Very low	23.9	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.826	79%	0.794	S	S	*	*			trans	-64.1	143.3	139.3	-113.5	174.7	-178.8	173.9	0	109.4
864	Y	21.8	Very low	24.1	Very low	193 Å²	193	148.3 Å²	148.3	76%	0.757	79%	0.79	S	S	*	*			trans	70.8	96.4	164.3	-89.4	-98.4	0	0	0	117.6
865	N	24.9	Very low	24	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	78%	0.782	S	S	*	*			trans	-132.8	106.3	136.8	-91.2	-40.7	0	0	0	109.3
866	R	18.8	Very low	24.3	Very low	221 Å²	221	146.8 Å²	146.8	83%	0.834	79%	0.787	S	S	*	*			trans	-85.4	104.2	169.6	-178	-171.8	-144.8	-149.3	4.6	106.2
867	S	25.7	Very low	24.4	Very low	104 Å²	104	148 Å²	148	73%	0.727	79%	0.785	S	S	*	*			trans	-117	104.5	170	43.2	0	0	0	0	109.2
868	T	21.6	Very low	24.1	Very low	122 Å²	122	147.2 Å²	147.2	75%	0.748	79%	0.786	S	S	*	*			trans	-74.4	116.2	164.9	45.6	0	0	0	0	109.1
869	T	27	Very low	24	Very low	117 Å²	117	147.5 Å²	147.5	72%	0.718	79%	0.787	S	S	*	*			trans	-142.5	91.9	165	50.5	0	0	0	0	106.2
870	T	24.5	Very low	24.1	Very low	124 Å²	124	147.5 Å²	147.5	76%	0.761	79%	0.788	S	S	*	*				58.5	102.2	102.6	53.4	0	0	0	0	114.1
871	D	22.1	Very low	24	Very low	149 Å²	149	148 Å²	148	80%	0.797	79%	0.789	S	S	*	*			trans	31.1	102.4	137.9	-61.5	-22.3	0	0	0	118.7
872	E	25.9	Very low	23.9	Very low	199 Å²	199	145.9 Å²	145.9	93%	0.93	79%	0.786	S	S	*	*			trans	-121.5	95.6	145.2	-80.9	-170.4	153.8	0	0	108.8
873	L	21.2	Very low	23.6	Very low	153 Å²	153	146.5 Å²	146.5	80%	0.801	79%	0.791	S	S	*	*			trans	-84.3	119.9	159.5	-73.9	165.6	0	0	0	107.4
874	I	24.1	Very low	23.7	Very low	160 Å²	160	146.3 Å²	146.3	82%	0.821	79%	0.793	S	S	*	*			trans	168.1	121	164.2	-87	145.9	0	0	0	102.2
875	T	26	Very low	23.7	Very low	111 Å²	111	144.9 Å²	144.9	68%	0.681	79%	0.793	S	S	*	*			cis	-163.8	117.6	33.8	1.8	0	0	0	0	106.8
876	G	24.2	Very low	23.8	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	80%	0.797	S	S	*	*			trans	-95.7	99.3	164.2	0	0	0	0	0	108.7
877	N	25.3	Very low	24	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	79%	0.792	S	S	*	*			trans	-99.4	96.3	171.8	-78.6	-6.6	0	0	0	109.2
878	T	22	Very low	24.1	Very low	138 Å²	138	145 Å²	145	85%	0.847	80%	0.796	S	S	*	*			trans	-61.6	121.3	159.4	-41.7	0	0	0	0	107.9
879	L	25.6	Very low	24.2	Very low	162 Å²	162	147.3 Å²	147.3	85%	0.848	80%	0.796	S	S	*	*			trans	-125.5	129	167.9	-121.4	105.2	0	0	0	110.9
880	D	23.9	Very low	24.2	Very low	153 Å²	153	150.1 Å²	150.1	82%	0.818	80%	0.8	S	S	*	*			trans	-67.1	156.3	-169.9	-98.1	-44.7	0	0	0	115.4
881	I	22.6	Very low	24	Very low	157 Å²	157	150.2 Å²	150.2	81%	0.805	80%	0.797	S	S	*	*			trans	-57.4	127.8	164.6	-65.6	161.9	0	0	0	109.8
882	S	24.1	Very low	24.1	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	79%	0.79	S	S	*	*			trans	-136.7	115.7	161.5	-162.9	0	0	0	0	111.3
883	N	19.6	Very low	23.9	Very low	149 Å²	149	148.3 Å²	148.3	80%	0.797	78%	0.782	S	S	*	*			trans	-62	129.5	164.1	-85.7	-40.6	0	0	0	110.1
884	Q	26.3	Very low	24.1	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	78%	0.782	S	S	*	*			trans	-121.2	115.5	154.8	-85.2	-165.8	-4.9	0	0	110.9
885	Q	22	Very low	23.9	Very low	164 Å²	164	145.5 Å²	145.5	77%	0.766	78%	0.784	S	S	*	*			trans	-57.4	142.7	163.4	-65.8	166	-20.7	0	0	110.1
886	N	27.5	Very low	23.8	Very low	170 Å²	170	146.7 Å²	146.7	91%	0.909	79%	0.791	S	S	*	*			trans	-151.7	122.5	137.4	-100.1	-30.3	0	0	0	111.7
887	N	22.2	Very low	23.7	Very low	135 Å²	135	147.3 Å²	147.3	72%	0.722	78%	0.783	S	S	*	*			trans	-79.8	136.9	179.6	-71.3	-56	0	0	0	111.2
888	H	29.1	Very low	23.5	Very low	176 Å²	176	150.8 Å²	150.8	82%	0.815	79%	0.786	S	S	*	*			trans	-158.4	102.8	146.9	-86.5	-16.1	0	0	0	107.9
889	K	22.3	Very low	23.5	Very low	171 Å²	171	155.6 Å²	155.6	74%	0.743	79%	0.789	S	S	*	*				86.8	136.4	88.7	-93.7	-175.6	177.5	176	0	113.7
890	H	27.8	Very low	23.2	Very low	175 Å²	175	152.9 Å²	152.9	81%	0.81	78%	0.779	S	S	*	*			trans	94.5	95.7	173.3	-55.8	-71.4	0	0	0	114.8
891	N	21.2	Very low	23.1	Very low	127 Å²	127	151.4 Å²	151.4	68%	0.679	78%	0.776	S	S	*	*				92.8	138.7	50.6	-159.9	14.6	0	0	0	112.8
892	M	23.4	Very low	23	Very low	133 Å²	133	152.1 Å²	152.1	66%	0.655	78%	0.776	S	S	*	*			trans	90.1	96.6	174.8	-57.8	-65.4	160.2	0	0	116.1
893	K	22	Very low	22.9	Very low	174 Å²	174	156.2 Å²	156.2	76%	0.757	78%	0.78	S	S	*	*				62.8	108.2	85.8	-73.6	-172.4	-177.3	177.6	0	112.6
894	T	25.5	Very low	22.9	Very low	131 Å²	131	153.9 Å²	153.9	80%	0.804	78%	0.775	S	S	*	*				178.3	122.8	99.4	39	0	0	0	0	109.9
895	S	19.7	Very low	22.5	Very low	124 Å²	124	151.2 Å²	151.2	87%	0.867	78%	0.777	S	S	*	*			trans	-64.1	132.8	164.5	-51.7	0	0	0	0	110.3
896	T	24.4	Very low	22.5	Very low	136 Å²	136	148.3 Å²	148.3	83%	0.834	78%	0.775	S	S	*	*			trans	-148.9	122.9	146.1	-22.3	0	0	0	0	110.2
897	S	22.3	Very low	22.1	Very low	89 Å²	89	145.9 Å²	145.9	62%	0.622	77%	0.766	S	S	*	*			trans	-73	146	-175.7	52.3	0	0	0	0	113.1
898	R	19.2	Very low	22	Very low	208 Å²	208	145.7 Å²	145.7	79%	0.785	77%	0.77	S	S	*	*				59.1	94.5	122.8	-159.6	-177.5	-71.2	151.6	-5.6	116.2	T900	R898-T900 HydrophobicContact CG-CG2 4.39Å
899	W	22	Very low	21.6	Very low	239 Å²	239	146.1 Å²	146.1	91%	0.905	77%	0.77	S	S	*	*			trans	-119.4	88.9	143.9	-75.8	80.2	0	0	0	108.8	T901	W899-T901 PolarHBondContact O-N 2.99Å
900	T	20.7	Very low	21.6	Very low	105 Å²	105	143.6 Å²	143.6	64%	0.644	77%	0.765	S	S	*	*			trans	-76.1	103.1	158.3	44.6	0	0	0	0	107.4	R898	R898-T900 HydrophobicContact CG-CG2 4.39Å
901	T	21.7	Very low	21.4	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	77%	0.766	S	S	*	*			trans	-100.5	103.2	164.5	23.7	0	0	0	0	108.4	W899	W899-T901 PolarHBondContact O-N 2.99Å
902	H	19.3	Very low	21.4	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.796	77%	0.768	S	S	*	*			trans	-57.4	131.8	158.2	-72.1	-95.5	0	0	0	109.1
903	K	21.9	Very low	21.5	Very low	195 Å²	195	145.8 Å²	145.8	85%	0.848	78%	0.775	S	S	*	*			trans	-176.2	123.5	133	-103.6	165.8	-176.9	-177.9	0	111.8
904	S	21.2	Very low	21.8	Very low	100 Å²	100	145.4 Å²	145.4	70%	0.699	78%	0.782	S	S	*	*			trans	75.2	93.5	138	-44.3	0	0	0	0	117.9	S906	S904-S906 PolarHBondContact O-N 3.12Å
905	S	18.1	Very low	22	Very low	129 Å²	129	150 Å²	150	90%	0.902	79%	0.786	S	S	*	*			trans	-41.2	111.7	139.3	44.8	0	0	0	0	111.9
906	S	20.6	Very low	22.8	Very low	103 Å²	103	150 Å²	150	72%	0.72	78%	0.777	S	S	*	*			trans	-127.9	112.4	153.2	75.2	0	0	0	0	108.8	S904 T908	S904-S906 PolarHBondContact O-N 3.12Å; S906-T908 PolarHBondContact O-N 3.41Å
907	T	20	Very low	23.8	Very low	119 Å²	119	148.5 Å²	148.5	73%	0.73	77%	0.771	S	S	*	*			trans	-59.7	113.5	171.3	46.5	0	0	0	0	111
908	T	20.2	Very low	25.4	Very low	130 Å²	130	147.7 Å²	147.7	80%	0.798	76%	0.76	S	S	*	*			trans	-127.4	95	148.4	47.4	0	0	0	0	106.6	S906 D910	S906-T908 PolarHBondContact O-N 3.41Å; T908-D910 PolarHBondContact O-N 2.73Å
909	F	21.2	Very low	27.9	Very low	185 Å²	185	138.2 Å²	138.2	81%	0.811	73%	0.725	S	S	*	*			trans	-55	106.4	169.4	-92.7	-99	0	0	0	108.6	T911	F909-T911 PolarHBondContact O-N 3.44Å
910	D	21.2	Very low	30.6	Very low	119 Å²	119	128.7 Å²	128.7	64%	0.636	70%	0.695	S	S	*	*			trans	-79.4	99.6	175.2	-143.9	13.9	0	0	0	107.5	T908 R912	T908-D910 PolarHBondContact O-N 2.73Å; D910-R912 PolarHBondContact O-N 2.97Å; D910-R912 IonicContact OD1-NH1 3.65Å; D910-R912 IonicContact OD2-CZ 3.95Å; D910-R912 IonicContact OD2-NH1 2.89Å; D910-R912 PolarHBondContact OD2-NH1 3.33Å
911	T	22.9	Very low	33.5	Very low	135 Å²	135	123.7 Å²	123.7	83%	0.828	66%	0.664	S	S	*	*			trans	-75.6	58.3	-174.4	41.3	0	0	0	0	112.7	F909	F909-T911 PolarHBondContact O-N 3.44Å
912	R	22.8	Very low	36.4	Very low	192 Å²	192	118.7 Å²	118.7	73%	0.725	63%	0.633	S	S	*	*			trans	-102.4	6.7	-171.1	-91.9	-178.5	172.2	134.6	-6.9	117.9	D910	D910-R912 PolarHBondContact O-N 2.97Å; D910-R912 IonicContact OD1-NH1 3.65Å; D910-R912 IonicContact OD2-CZ 3.95Å; D910-R912 IonicContact OD2-NH1 2.89Å; D910-R912 PolarHBondContact OD2-NH1 3.33Å
913	N	25.8	Very low	39.4	Very low	153 Å²	153	110.5 Å²	110.5	82%	0.818	60%	0.595	S	S	*	*			trans	-117.9	14.3	-168.4	-81.8	-10.4	0	0	0	118.8	Y915	N913-Y915 VanDerWaalsContact C-N 3.35Å; N913-Y915 PolarHBondContact O-N 3.4Å
914	D	27.9	Very low	42.2	Very low	167 Å²	167	101.9 Å²	101.9	89%	0.893	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	12.7	-174	-87.1	-12.1	0	0	0	116.9
915	Y	30.1	Very low	44.7	Very low	228 Å²	228	97.4 Å²	97.4	89%	0.894	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.9	-178.9	-74.8	-71.2	0	0	0	116	N913 S917	N913-Y915 VanDerWaalsContact C-N 3.35Å; N913-Y915 PolarHBondContact O-N 3.4Å; Y915-S917 PolarHBondContact O-N 3.29Å
916	N	36.3	Very low	47.1	Very low	124 Å²	124	92.6 Å²	92.6	66%	0.663	49%	0.491	S	S	*	.			trans	-103.7	54.7	-173.1	-145.7	15.1	0	0	0	112.8	N918	N916-N918 PolarHBondContact O-N 2.87Å; N916-N918 PolarHBondContact OD1-ND2 3.36Å; N916-N918 VanDerWaalsContact OD1-ND2 3.08Å
917	S	44.1	Very low	48.6	Very low	103 Å²	103	92.2 Å²	92.2	72%	0.72	48%	0.478	S	S	*	.			trans	-78.7	49.4	174.4	69.2	0	0	0	0	112	Y915	Y915-S917 PolarHBondContact O-N 3.29Å
918	N	57.2	Low	49.6	Very low	72 Å²	72	90.2 Å²	90.2	39%	0.385	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-67.1	133	170	-71.2	-17.8	0	0	0	108.3	N916 S920	N916-N918 PolarHBondContact O-N 2.87Å; N916-N918 PolarHBondContact OD1-ND2 3.36Å; N916-N918 VanDerWaalsContact OD1-ND2 3.08Å; N918-S920 PolarHBondContact O-N 2.86Å
919	L	71.8	Confident	50.3	Low	10 Å²	10	88.2 Å²	88.2	5%	0.052	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	120.6	177.8	177	75.4	0	0	0	107.7	I921 V975 F1022 Y1023 I1026 K1113	L919-I921 HydrophobicContact CD2-CG2 4.13Å; L919-I921 HydrophobicContact CG-CG2 4.03Å; L919-V975 HydrophobicContact CB-CB 4.47Å; L919-V975 HydrophobicContact CD2-CB 4.5Å; L919-V975 PolarHBondContact O-N 2.95Å; L919-F1022 HydrophobicContact CD2-CD1 3.72Å; L919-F1022 HydrophobicContact CD2-CE1 3.51Å; L919-Y1023 HydrophobicContact CB-CE1 3.73Å; L919-Y1023 HydrophobicContact CB-CE2 3.95Å; L919-Y1023 VanDerWaalsContact CB-OH 3.23Å; L919-Y1023 WeakPolarHBondContact CB-OH 3.35Å; L919-Y1023 HydrophobicContact CD2-CD1 4.39Å; L919-Y1023 HydrophobicContact CD2-CD2 4.4Å; L919-Y1023 HydrophobicContact CD2-CE1 4.27Å; L919-Y1023 HydrophobicContact CD2-CE2 4.24Å; L919-Y1023 HydrophobicContact CD2-CG 4.49Å; L919-Y1023 PolarHBondContact N-OH 3.39Å; L919-I1026 HydrophobicContact CD2-CD1 3.98Å; L919-K1113 HydrophobicContact CD1-CB 3.38Å; L919-K1113 VanDerWaalsContact CD1-O 3.22Å; L919-K1113 WeakPolarHBondContact CD1-O 3.44Å
920	S	77	Confident	50.9	Low	39 Å²	39	84.5 Å²	84.5	27%	0.273	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.2	171.9	66.1	0	0	0	0	108.6	N918 L973 K1113 H1114 C1115	N918-S920 PolarHBondContact O-N 2.86Å; S920-L973 CarbonylContact C-O 3.51Å; S920-L973 WeakPolarHBondContact CA-O 3.22Å; S920-K1113 PolarHBondContact N-O 3.28Å; S920-H1114 VanDerWaalsContact O-CA 3.26Å; S920-H1114 WeakPolarHBondContact O-CA 3.32Å; S920-H1114 PolarHBondContact O-ND1 2.86Å; S920-H1114 VanDerWaalsContact O-ND1 3.11Å; S920-H1114 PolarHBondContact OG-ND1 3.01Å; S920-C1115 PolarHBondContact O-N 2.86Å
921	I	83.3	Confident	51.6	Low	0 Å²	0	85.4 Å²	85.4	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.9	175.5	68.8	169.5	0	0	0	110.1	L919 V923 Q972 L973 V975 V984 F1022 C1115	L919-I921 HydrophobicContact CD2-CG2 4.13Å; L919-I921 HydrophobicContact CG-CG2 4.03Å; I921-V923 HydrophobicContact CD1-CG2 3.62Å; I921-V923 HydrophobicContact CG1-CG2 4.03Å; I921-Q972 CarbonylContact O-C 3.57Å; I921-Q972 VanDerWaalsContact O-CA 3.26Å; I921-Q972 WeakPolarHBondContact O-CA 3.4Å; I921-L973 HydrophobicContact CD1-CB 4.14Å; I921-L973 HydrophobicContact CD1-CD1 4.34Å; I921-L973 HydrophobicContact CG1-CB 3.67Å; I921-L973 PolarHBondContact N-O 3.31Å; I921-L973 PolarHBondContact O-N 3.29Å; I921-V975 HydrophobicContact CB-CG2 4.33Å; I921-V975 HydrophobicContact CD1-CG2 3.58Å; I921-V975 HydrophobicContact CG1-CG2 3.73Å; I921-V975 HydrophobicContact CG2-CG2 3.68Å; I921-V984 HydrophobicContact CD1-CG1 3.28Å; I921-F1022 HydrophobicContact CD1-CE1 4.47Å; I921-F1022 HydrophobicContact CD1-CE2 4.41Å; I921-F1022 HydrophobicContact CD1-CZ 3.93Å; I921-F1022 HydrophobicContact CG2-CE1 3.55Å; I921-F1022 HydrophobicContact CG2-CZ 3.73Å; I921-C1115 CarbonylContact C-O 3.55Å; I921-C1115 WeakPolarHBondContact CA-O 3.39Å; I921-C1115 HydrophobicContact CG2-CB 4.14Å
922	T	82	Confident	52	Low	17 Å²	17	88.6 Å²	88.6	10%	0.104	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.7	169	-70	0	0	0	0	107.4	I970 Q972 H1114 C1115 T1116 V1117	T922-I970 HydrophobicContact CG2-CG2 3.12Å; T922-Q972 PolarHBondContact OG1-NE2 2.86Å; T922-H1114 PolarHBondContact OG1-CE1 2.95Å; T922-H1114 PolarHBondContact OG1-NE2 3.39Å; T922-C1115 PolarHBondContact N-O 2.84Å; T922-T1116 HydrophobicContact CG2-CG2 4.41Å; T922-T1116 CarbonylContact O-C 3.57Å; T922-T1116 WeakPolarHBondContact O-CA 3.18Å; T922-V1117 PolarHBondContact O-N 3.3Å
923	V	83	Confident	52.6	Low	0 Å²	0	84.9 Å²	84.9	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.2	176.2	-173.3	0	0	0	0	109.3	I921 I970 I971 L973 A988 F992 L1004 V1117 L1119	I921-V923 HydrophobicContact CD1-CG2 3.62Å; I921-V923 HydrophobicContact CG1-CG2 4.03Å; V923-I970 CarbonylContact O-C 3.46Å; V923-I970 WeakPolarHBondContact O-CA 3.32Å; V923-I971 PolarHBondContact N-O 2.93Å; V923-I971 PolarHBondContact O-N 3.34Å; V923-L973 HydrophobicContact CG2-CD1 3.85Å; V923-A988 HydrophobicContact CB-CB 4.43Å; V923-A988 HydrophobicContact CG1-CB 4.03Å; V923-A988 HydrophobicContact CG2-CB 4.44Å; V923-F992 HydrophobicContact CB-CE2 4.46Å; V923-F992 HydrophobicContact CG1-CE2 3.95Å; V923-F992 HydrophobicContact CG1-CZ 4.44Å; V923-F992 WeakPolarHBondContact O-CZ 3.38Å; V923-L1004 HydrophobicContact CG1-CD1 4.42Å; V923-V1117 CarbonylContact C-O 3.53Å; V923-V1117 VanDerWaalsContact CA-O 3.24Å; V923-V1117 WeakPolarHBondContact CA-O 3.49Å; V923-L1119 HydrophobicContact CG1-CB 3.94Å; V923-L1119 HydrophobicContact CG1-CD1 4.13Å
924	S	79.9	Confident	53	Low	14 Å²	14	81.6 Å²	81.6	10%	0.098	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.2	169.4	43.9	0	0	0	0	110.5	P969 V1117 E1118 L1119	S924-P969 WeakPolarHBondContact CA-O 3.44Å; S924-V1117 PolarHBondContact N-O 3.45Å; S924-E1118 CarbonylContact O-C 3.52Å; S924-E1118 WeakPolarHBondContact O-CA 3.47Å; S924-E1118 VanDerWaalsContact OG-CG 3.24Å; S924-E1118 WeakPolarHBondContact OG-CG 3.4Å; S924-L1119 PolarHBondContact O-N 2.98Å
925	L	74.6	Confident	53.2	Low	6 Å²	6	82.7 Å²	82.7	3%	0.031	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.5	177.9	173	68.2	0	0	0	110.6	F939 P969 F992 Y1002 L1119	L925-F939 HydrophobicContact CD2-CE1 3.47Å; L925-F939 VanDerWaalsContact CD2-CE1 3.47Å; L925-F939 HydrophobicContact CD2-CZ 3.33Å; L925-P969 HydrophobicContact CB-CG 4.29Å; L925-P969 PolarHBondContact N-O 2.82Å; L925-F992 HydrophobicContact CB-CD1 4.1Å; L925-F992 HydrophobicContact CB-CD2 4.14Å; L925-F992 HydrophobicContact CB-CE1 3.81Å; L925-F992 HydrophobicContact CB-CE2 3.86Å; L925-F992 HydrophobicContact CB-CG 4.28Å; L925-F992 HydrophobicContact CB-CZ 3.68Å; L925-F992 HydrophobicContact CD2-CB 4.28Å; L925-F992 HydrophobicContact CD2-CD1 4.22Å; L925-F992 HydrophobicContact CD2-CD2 4.44Å; L925-F992 HydrophobicContact CD2-CG 4.08Å; L925-Y1002 HydrophobicContact CD1-CE1 3.96Å; L925-L1119 HydrophobicContact CD1-CB 4.33Å; L925-L1119 HydrophobicContact CD1-CD2 3.37Å; L925-L1119 HydrophobicContact CD1-CG 4.44Å
926	H	67.2	Low	53.5	Low	28 Å²	28	75.7 Å²	75.7	13%	0.13	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.3	171.8	-77.6	-108.8	0	0	0	109.5	Q968 E1118 L1119 W1120	H926-Q968 PolarHBondContact CE1-NE2 2.69Å; H926-Q968 PolarHBondContact CE1-OE1 2.95Å; H926-Q968 VanDerWaalsContact CE1-OE1 3.3Å; H926-Q968 PolarHBondContact ND1-NE2 2.93Å; H926-Q968 PolarHBondContact NE2-OE1 3.49Å; H926-Q968 VanDerWaalsContact NE2-OE1 3.07Å; H926-E1118 IonicContact CD2-OE1 2.77Å; H926-E1118 IonicContact CD2-OE2 3.94Å; H926-E1118 IonicContact CE1-OE1 2.8Å; H926-E1118 IonicContact CE1-OE2 3.24Å; H926-E1118 IonicContact NE2-OE1 3.68Å; H926-E1118 PolarHBondContact NE2-OE1 3.14Å; H926-E1118 IonicContact NE2-OE2 3.1Å; H926-E1118 PolarHBondContact NE2-OE2 3.17Å; H926-L1119 PolarHBondContact N-O 3.32Å; H926-W1120 HydrophobicContact CB-CD2 3.94Å; H926-W1120 HydrophobicContact CB-CE3 4.33Å; H926-W1120 HydrophobicContact CB-CG 4.27Å; H926-W1120 HydrophobicContact CB-CZ2 4.23Å; H926-W1120 AromaticContact CD2-NE1 3.79Å; H926-W1120 AromaticContact CE1-CZ2 3.85Å; H926-W1120 AromaticContact CG-CE2 3.79Å; H926-W1120 AromaticContact CG-CZ2 3.89Å; H926-W1120 AromaticContact CG-NE1 3.91Å; H926-W1120 AromaticContact ND1-CE2 4Å; H926-W1120 AromaticContact ND1-CZ2 3.59Å
927	H	52.5	Low	53.7	Low	95 Å²	95	70.8 Å²	70.8	44%	0.44	40%	0.397	S	S	.	.			trans	-110.5	122	168.7	-165.9	55.7	0	0	0	109.2	N929	H927-N929 PolarHBondContact O-N 2.87Å; H927-N929 VanDerWaalsContact O-N 3.11Å
928	T	39.9	Very low	53.7	Low	78 Å²	78	71.5 Å²	71.5	48%	0.479	40%	0.399	S	S	.	.			trans	-70.8	106.9	174.7	56.7	0	0	0	0	108.6	S930 W1120	T928-S930 VanDerWaalsContact C-N 3.34Å; T928-S930 PolarHBondContact O-N 2.97Å; T928-W1120 HydrophobicContact CG2-CZ3 4.44Å
929	N	35.9	Very low	53.1	Low	87 Å²	87	70.5 Å²	70.5	47%	0.465	39%	0.391	S	S	.	.			trans	-70.7	87.7	179.4	-155	18.8	0	0	0	109.3	H927 Q931	H927-N929 PolarHBondContact O-N 2.87Å; H927-N929 VanDerWaalsContact O-N 3.11Å; N929-Q931 VanDerWaalsContact C-N 3.32Å
930	S	34.6	Very low	51.8	Low	107 Å²	107	72.7 Å²	72.7	75%	0.748	40%	0.402	S	S	*	.			trans	-90.4	14.5	-179.5	79.6	0	0	0	0	113.9	T928	T928-S930 VanDerWaalsContact C-N 3.34Å; T928-S930 PolarHBondContact O-N 2.97Å
931	Q	34.3	Very low	50.4	Low	139 Å²	139	73.4 Å²	73.4	65%	0.65	41%	0.411	S	S	*	.			trans	-103.7	108.8	171.7	-75.6	-167.1	-14.1	0	0	110.2	N929 D933	N929-Q931 VanDerWaalsContact C-N 3.32Å; Q931-D933 PolarHBondContact O-N 3.24Å
932	H	31.8	Very low	48.5	Very low	202 Å²	202	81.4 Å²	81.4	94%	0.935	45%	0.446	S	S	*	.			trans	-61.8	16	174.8	-90.1	-76.1	0	0	0	115.1
933	D	35	Very low	46.4	Very low	114 Å²	114	80.9 Å²	80.9	61%	0.61	44%	0.443	S	S	*	.	S	Bend	trans	-106.8	15.3	-163	-142.4	23.9	0	0	0	114.7	Q931 R935	Q931-D933 PolarHBondContact O-N 3.24Å; D933-R935 PolarHBondContact O-N 2.97Å
934	G	34.2	Very low	44.4	Very low	83 Å²	83	83.5 Å²	83.5	86%	0.856	46%	0.464	S	S	*	.			trans	63.7	-2.9	175.4	0	0	0	0	0	115.6
935	R	32.9	Very low	42.4	Very low	191 Å²	191	90.7 Å²	90.7	72%	0.721	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-82.5	122.7	176.3	-67.6	-177.9	-178.4	-168.6	0.3	109.6	D933 S937	D933-R935 PolarHBondContact O-N 2.97Å; R935-S937 PolarHBondContact O-N 3.16Å
936	V	35.5	Very low	40.5	Very low	81 Å²	81	96.3 Å²	96.3	49%	0.491	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-57.8	128.2	165	-179.5	0	0	0	0	107.3	I940	V936-I940 HydrophobicContact CG1-CB 3.73Å; V936-I940 HydrophobicContact CG1-CD1 4.44Å; V936-I940 HydrophobicContact CG1-CG2 3.69Å
937	S	41.2	Very low	38.6	Very low	21 Å²	21	96.3 Å²	96.3	15%	0.147	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-57	138.8	-178.4	82.3	0	0	0	0	109.2	R935 F939 I940 A941	R935-S937 PolarHBondContact O-N 3.16Å; S937-F939 PolarHBondContact O-N 2.97Å; S937-F939 WeakPolarHBondContact OG-CB 3.26Å; S937-I940 PolarHBondContact O-N 3.38Å; S937-I940 PolarHBondContact OG-N 2.88Å; S937-A941 PolarHBondContact O-N 3.45Å
938	P	43.5	Very low	37.4	Very low	118 Å²	118	97.6 Å²	97.6	77%	0.766	55%	0.553	S	S	*	*	H	α-helix	trans	-52.1	-23.9	176.5	-26.3	33.2	0	0	0	112.6	K942	P938-K942 PolarHBondContact O-N 3.45Å
939	F	44.8	Very low	36.7	Very low	50 Å²	50	100.4 Å²	100.4	22%	0.219	56%	0.564	C	S	.	*	H	α-helix	trans	-66.7	-50.4	174.3	175.9	-103.6	0	0	0	113.6	L925 S937 A941 K942 V943 C994	L925-F939 HydrophobicContact CD2-CE1 3.47Å; L925-F939 VanDerWaalsContact CD2-CE1 3.47Å; L925-F939 HydrophobicContact CD2-CZ 3.33Å; S937-F939 PolarHBondContact O-N 2.97Å; S937-F939 WeakPolarHBondContact OG-CB 3.26Å; F939-A941 PolarHBondContact O-N 3.4Å; F939-K942 WeakPolarHBondContact O-CA 3.5Å; F939-K942 WeakPolarHBondContact O-CB 3.4Å; F939-K942 PolarHBondContact O-N 2.87Å; F939-V943 HydrophobicContact CD2-CG2 4.1Å; F939-V943 HydrophobicContact CE1-CG2 4.12Å; F939-V943 HydrophobicContact CE2-CG2 3.51Å; F939-V943 HydrophobicContact CZ-CG2 3.54Å; F939-V943 WeakPolarHBondContact O-CG2 3.48Å; F939-V943 PolarHBondContact O-N 3.18Å; F939-C994 WeakPolarHBondContact CE2-SG 3.31Å; F939-C994 WeakPolarHBondContact CZ-SG 3.32Å
940	I	43.9	Very low	36.1	Very low	56 Å²	56	101.6 Å²	101.6	29%	0.287	58%	0.579	S	S	.	*	H	α-helix	trans	-60.5	-38.7	177.6	-70.6	164.7	0	0	0	110.5	V936 S937 K942 V943 A944	V936-I940 HydrophobicContact CG1-CB 3.73Å; V936-I940 HydrophobicContact CG1-CD1 4.44Å; V936-I940 HydrophobicContact CG1-CG2 3.69Å; S937-I940 PolarHBondContact O-N 3.38Å; S937-I940 PolarHBondContact OG-N 2.88Å; I940-K942 VanDerWaalsContact C-N 3.26Å; I940-K942 PolarHBondContact O-N 3.16Å; I940-V943 PolarHBondContact O-N 3.17Å; I940-A944 WeakPolarHBondContact O-CB 3.24Å; I940-A944 PolarHBondContact O-N 3.41Å
941	A	48.1	Very low	35.5	Very low	55 Å²	55	106.2 Å²	106.2	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-60.6	-36.2	174.5	0	0	0	0	0	112.3	S937 F939	S937-A941 PolarHBondContact O-N 3.45Å; F939-A941 PolarHBondContact O-N 3.4Å
942	K	44.4	Very low	34.9	Very low	167 Å²	167	102.8 Å²	102.8	73%	0.726	59%	0.59	S	S	*	*	H	α-helix	trans	-75	-33.7	-179.3	-150	173.5	-173.5	-177.1	0	113	P938 F939 I940	P938-K942 PolarHBondContact O-N 3.45Å; F939-K942 WeakPolarHBondContact O-CA 3.5Å; F939-K942 WeakPolarHBondContact O-CB 3.4Å; F939-K942 PolarHBondContact O-N 2.87Å; I940-K942 VanDerWaalsContact C-N 3.26Å; I940-K942 PolarHBondContact O-N 3.16Å
943	V	37.6	Very low	34.5	Very low	7 Å²	7	98.4 Å²	98.4	4%	0.042	58%	0.582	C	S	.	*	H	α-helix	trans	-89.5	-23.2	-176	-173.1	0	0	0	0	112.9	F939 I940 H945 L946 P969 F992	F939-V943 HydrophobicContact CD2-CG2 4.1Å; F939-V943 HydrophobicContact CE1-CG2 4.12Å; F939-V943 HydrophobicContact CE2-CG2 3.51Å; F939-V943 HydrophobicContact CZ-CG2 3.54Å; F939-V943 WeakPolarHBondContact O-CG2 3.48Å; F939-V943 PolarHBondContact O-N 3.18Å; I940-V943 PolarHBondContact O-N 3.17Å; V943-H945 PolarHBondContact O-N 3.32Å; V943-L946 PolarHBondContact O-N 2.89Å; V943-P969 HydrophobicContact CB-CB 4.47Å; V943-P969 HydrophobicContact CG1-CB 3.49Å; V943-P969 VanDerWaalsContact CG1-CB 3.49Å; V943-P969 HydrophobicContact CG1-CG 4Å; V943-F992 HydrophobicContact CG1-CD1 4.06Å; V943-F992 WeakPolarHBondContact CG2-O 3.49Å
944	A	40	Very low	33.9	Very low	55 Å²	55	101.8 Å²	101.8	46%	0.455	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.7	-22.2	179.4	0	0	0	0	0	114.2	I940	I940-A944 WeakPolarHBondContact O-CB 3.24Å; I940-A944 PolarHBondContact O-N 3.41Å
945	H	39.6	Very low	33.3	Very low	164 Å²	164	101.5 Å²	101.5	76%	0.759	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-10.2	179.4	-60.1	-59.9	0	0	0	115.1	V943	V943-H945 PolarHBondContact O-N 3.32Å
946	L	34.1	Very low	32.9	Very low	125 Å²	125	101.2 Å²	101.2	65%	0.654	60%	0.598	S	S	*	*	S	Bend	trans	-109.5	-3.8	-168.4	-70.3	168.8	0	0	0	115	V943	V943-L946 PolarHBondContact O-N 2.89Å
947	G	27.9	Very low	32.3	Very low	28 Å²	28	104.3 Å²	104.3	29%	0.289	61%	0.611	S	S	.	*	S	Bend	trans	-121.9	140.1	177	0	0	0	0	0	111.4	L949	G947-L949 PolarHBondContact O-N 2.94Å
948	S	27.1	Very low	31.5	Very low	122 Å²	122	110.3 Å²	110.3	85%	0.853	64%	0.642	S	S	*	*			trans	-53.4	101.3	179.3	53.5	0	0	0	0	111.8	S950	S948-S950 PolarHBondContact O-N 2.89Å
949	L	25.3	Very low	30.5	Very low	137 Å²	137	112.3 Å²	112.3	72%	0.717	65%	0.646	S	S	*	*			trans	-55.7	110.2	154.9	-83.9	145.1	0	0	0	106	G947 H951	G947-L949 PolarHBondContact O-N 2.94Å; L949-H951 PolarHBondContact O-N 3.42Å
950	S	23	Very low	29.5	Very low	111 Å²	111	117.5 Å²	117.5	78%	0.776	67%	0.671	S	S	*	*			trans	-57.7	131.3	175.6	76.4	0	0	0	0	107.7	S948 G952	S948-S950 PolarHBondContact O-N 2.89Å; S950-G952 PolarHBondContact O-N 3.41Å
951	H	21.8	Very low	28.5	Very low	205 Å²	205	125 Å²	125	95%	0.949	70%	0.702	S	S	*	*			trans	-59.3	85	178.7	-81.5	-79.6	0	0	0	110.3	L949	L949-H951 PolarHBondContact O-N 3.42Å
952	G	21.9	Very low	27.2	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	71%	0.71	S	S	*	*			trans	-95.2	96.5	169.1	0	0	0	0	0	109.4	S950	S950-G952 PolarHBondContact O-N 3.41Å
953	S	22	Very low	26.2	Very low	110 Å²	110	128 Å²	128	77%	0.769	72%	0.719	S	S	*	*			trans	28.1	112.1	146.2	-168.2	0	0	0	0	118.4
954	H	22.5	Very low	25.6	Very low	185 Å²	185	132.2 Å²	132.2	86%	0.856	75%	0.748	S	S	*	*			trans	19.8	114	145.1	-90.5	67.1	0	0	0	117.6	H956	H954-H956 PolarHBondContact O-N 2.92Å
955	G	22.3	Very low	25.1	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	77%	0.767	S	S	*	*			trans	-57.5	127.2	177.3	0	0	0	0	0	113.5
956	H	24.7	Very low	24.9	Very low	184 Å²	184	137.4 Å²	137.4	85%	0.852	76%	0.76	S	S	*	*			trans	-115.5	123.9	143.8	-110.5	-63.3	0	0	0	107.5	H954 D958	H954-H956 PolarHBondContact O-N 2.92Å; H956-D958 PolarHBondContact O-N 3.26Å
957	N	22.3	Very low	25.4	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	76%	0.764	S	S	*	*			trans	-60.6	114.9	178	-65.7	-36	0	0	0	110.1
958	D	25.1	Very low	26.5	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	77%	0.769	S	S	*	*			trans	-143	117.6	157.3	-84.8	-40.2	0	0	0	110.2	H956 H960	H956-D958 PolarHBondContact O-N 3.26Å; D958-H960 PolarHBondContact O-N 2.88Å
959	N	23.1	Very low	28.1	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	74%	0.739	S	S	*	*			trans	-77.2	45	-169	-81.4	-35.8	0	0	0	114.2
960	H	23.9	Very low	30.2	Very low	159 Å²	159	133.3 Å²	133.3	74%	0.736	73%	0.726	S	S	*	*			trans	-112.6	102.4	171.4	-73.7	-65.5	0	0	0	109.9	D958 S962	D958-H960 PolarHBondContact O-N 2.88Å; H960-S962 PolarHBondContact O-N 2.88Å; H960-S962 PolarHBondContact O-OG 2.91Å
961	F	21.9	Very low	32.9	Very low	214 Å²	214	129.3 Å²	129.3	94%	0.939	70%	0.696	S	S	*	*			trans	-66.7	66	165.2	-96.5	-90.9	0	0	0	109.6
962	S	20.6	Very low	35.7	Very low	90 Å²	90	126 Å²	126	63%	0.629	68%	0.681	S	S	*	*			trans	-90.4	101	171	43.8	0	0	0	0	108.1	H960 S964	H960-S962 PolarHBondContact O-N 2.88Å; H960-S962 PolarHBondContact O-OG 2.91Å; S962-S964 PolarHBondContact O-N 3.27Å
963	H	23.4	Very low	38.5	Very low	195 Å²	195	123.7 Å²	123.7	90%	0.903	65%	0.652	S	S	*	*			trans	24.5	56.8	165.1	-68.1	-55.7	0	0	0	115.3	K965	H963-K965 PolarHBondContact O-N 3.46Å
964	S	24.9	Very low	41.3	Very low	94 Å²	94	122.2 Å²	122.2	66%	0.657	64%	0.642	S	S	*	*			trans	-63.8	117.7	174.2	57.4	0	0	0	0	105.8	S962 Q966	S962-S964 PolarHBondContact O-N 3.27Å; S964-Q966 PolarHBondContact O-N 3.21Å
965	K	29.4	Very low	43.9	Very low	195 Å²	195	113.5 Å²	113.5	85%	0.848	60%	0.602	S	S	*	*			trans	-42.8	105.2	179.3	-74.2	175.4	175.9	177.1	0	108	H963 T967	H963-K965 PolarHBondContact O-N 3.46Å; K965-T967 VanDerWaalsContact C-N 3.34Å; K965-T967 PolarHBondContact O-N 2.94Å
966	Q	36.3	Very low	46.7	Very low	133 Å²	133	111.9 Å²	111.9	62%	0.621	58%	0.579	S	S	*	*			trans	-64.5	97.8	-175.3	-152.4	166.9	11.1	0	0	106.3	S964 Q968	S964-Q966 PolarHBondContact O-N 3.21Å; Q966-Q968 PolarHBondContact O-N 2.92Å; Q966-Q968 VanDerWaalsContact O-N 3.09Å
967	T	43.4	Very low	49	Very low	120 Å²	120	106.6 Å²	106.6	74%	0.736	56%	0.56	S	S	*	*			trans	-65.3	112.9	-171.8	47.4	0	0	0	0	108.7	K965	K965-T967 VanDerWaalsContact C-N 3.34Å; K965-T967 PolarHBondContact O-N 2.94Å
968	Q	52	Low	51.7	Low	84 Å²	84	105.2 Å²	105.2	39%	0.393	56%	0.557	S	S	.	*			trans	-65.1	142.3	179.5	-65.6	178.4	-25.7	0	0	109.9	H926 Q966 I970	H926-Q968 PolarHBondContact CE1-NE2 2.69Å; H926-Q968 PolarHBondContact CE1-OE1 2.95Å; H926-Q968 VanDerWaalsContact CE1-OE1 3.3Å; H926-Q968 PolarHBondContact ND1-NE2 2.93Å; H926-Q968 PolarHBondContact NE2-OE1 3.49Å; H926-Q968 VanDerWaalsContact NE2-OE1 3.07Å; Q966-Q968 PolarHBondContact O-N 2.92Å; Q966-Q968 VanDerWaalsContact O-N 3.09Å; Q968-I970 WeakPolarHBondContact O-CG1 3.31Å; Q968-I970 PolarHBondContact O-N 2.72Å
969	P	60.9	Low	54.5	Low	33 Å²	33	99.1 Å²	99.1	21%	0.214	53%	0.525	C	S	.	.			trans	-68	128.4	176.5	29.4	-33.5	0	0	0	109.2	S924 L925 V943 F992	S924-P969 WeakPolarHBondContact CA-O 3.44Å; L925-P969 HydrophobicContact CB-CG 4.29Å; L925-P969 PolarHBondContact N-O 2.82Å; V943-P969 HydrophobicContact CB-CB 4.47Å; V943-P969 HydrophobicContact CG1-CB 3.49Å; V943-P969 VanDerWaalsContact CG1-CB 3.49Å; V943-P969 HydrophobicContact CG1-CG 4Å; P969-F992 HydrophobicContact CB-CD1 4.32Å; P969-F992 HydrophobicContact CB-CE1 3.93Å; P969-F992 HydrophobicContact CG-CD1 4.48Å; P969-F992 HydrophobicContact CG-CE1 4.17Å; P969-F992 WeakPolarHBondContact O-CE1 3.08Å
970	I	69.2	Low	57.5	Low	89 Å²	89	92.6 Å²	92.6	46%	0.456	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.3	-175.8	-66	167.1	0	0	0	108.7	T922 V923 Q968	T922-I970 HydrophobicContact CG2-CG2 3.12Å; V923-I970 CarbonylContact O-C 3.46Å; V923-I970 WeakPolarHBondContact O-CA 3.32Å; Q968-I970 WeakPolarHBondContact O-CG1 3.31Å; Q968-I970 PolarHBondContact O-N 2.72Å
971	I	79.7	Confident	60.5	Low	27 Å²	27	85 Å²	85	14%	0.138	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.1	177.6	-58.7	179.6	0	0	0	109.4	V923 L991 F992	V923-I971 PolarHBondContact N-O 2.93Å; V923-I971 PolarHBondContact O-N 3.34Å; I971-L991 VanDerWaalsContact CD1-C 3.48Å; I971-L991 HydrophobicContact CD1-CB 3.63Å; I971-L991 HydrophobicContact CG2-CB 4.08Å; I971-L991 HydrophobicContact CG2-CD1 3.6Å; I971-L991 HydrophobicContact CG2-CG 4.5Å; I971-F992 HydrophobicContact CB-CE1 4.47Å; I971-F992 HydrophobicContact CB-CZ 4.26Å; I971-F992 HydrophobicContact CD1-CB 4.41Å; I971-F992 HydrophobicContact CD1-CD1 3.37Å; I971-F992 HydrophobicContact CD1-CD2 4.08Å; I971-F992 HydrophobicContact CD1-CE1 3.47Å; I971-F992 VanDerWaalsContact CD1-CE1 3.47Å; I971-F992 HydrophobicContact CD1-CE2 4.15Å; I971-F992 HydrophobicContact CD1-CG 3.68Å; I971-F992 HydrophobicContact CD1-CZ 3.87Å; I971-F992 HydrophobicContact CG1-CD1 4.03Å; I971-F992 HydrophobicContact CG1-CE1 3.59Å; I971-F992 HydrophobicContact CG1-CZ 3.86Å
972	Q	79.5	Confident	63.6	Low	136 Å²	136	76.6 Å²	76.6	64%	0.636	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.3	172.3	-70.2	-169.3	-25.1	0	0	111.3	I921 T922	I921-Q972 CarbonylContact O-C 3.57Å; I921-Q972 VanDerWaalsContact O-CA 3.26Å; I921-Q972 WeakPolarHBondContact O-CA 3.4Å; T922-Q972 PolarHBondContact OG1-NE2 2.86Å
973	L	81.7	Confident	66.9	Low	18 Å²	18	75.7 Å²	75.7	9%	0.094	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.6	-179.1	-75.6	165	0	0	0	109.7	S920 I921 V923 K987 A988 L991	S920-L973 CarbonylContact C-O 3.51Å; S920-L973 WeakPolarHBondContact CA-O 3.22Å; I921-L973 HydrophobicContact CD1-CB 4.14Å; I921-L973 HydrophobicContact CD1-CD1 4.34Å; I921-L973 HydrophobicContact CG1-CB 3.67Å; I921-L973 PolarHBondContact N-O 3.31Å; I921-L973 PolarHBondContact O-N 3.29Å; V923-L973 HydrophobicContact CG2-CD1 3.85Å; L973-K987 HydrophobicContact CD2-CB 4.13Å; L973-A988 HydrophobicContact CD1-CB 3.76Å; L973-L991 HydrophobicContact CD2-CD1 3.3Å; L973-L991 HydrophobicContact CG-CD1 4.16Å
974	S	80.6	Confident	69.9	Low	79 Å²	79	66.5 Å²	66.5	55%	0.552	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.1	163.4	53	0	0	0	0	108.9
975	V	78.2	Confident	72.8	Confident	2 Å²	2	62 Å²	62	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129	179.4	-173.2	0	0	0	0	109.2	L919 I921 D979 V984 F1022 Y1023	L919-V975 HydrophobicContact CB-CB 4.47Å; L919-V975 HydrophobicContact CD2-CB 4.5Å; L919-V975 PolarHBondContact O-N 2.95Å; I921-V975 HydrophobicContact CB-CG2 4.33Å; I921-V975 HydrophobicContact CD1-CG2 3.58Å; I921-V975 HydrophobicContact CG1-CG2 3.73Å; I921-V975 HydrophobicContact CG2-CG2 3.68Å; V975-D979 HydrophobicContact CG1-CB 3.83Å; V975-V984 HydrophobicContact CG1-CG2 3.77Å; V975-V984 HydrophobicContact CG2-CG2 4.03Å; V975-F1022 HydrophobicContact CB-CD1 4.23Å; V975-F1022 HydrophobicContact CB-CE1 4.5Å; V975-F1022 HydrophobicContact CG1-CB 3.98Å; V975-F1022 HydrophobicContact CG1-CD1 3.64Å; V975-F1022 HydrophobicContact CG1-CE1 4.34Å; V975-F1022 HydrophobicContact CG1-CG 3.95Å; V975-F1022 HydrophobicContact CG2-CD1 4.12Å; V975-F1022 HydrophobicContact CG2-CE1 3.98Å; V975-Y1023 HydrophobicContact CB-CE2 4.31Å; V975-Y1023 HydrophobicContact CG1-CD2 4.34Å; V975-Y1023 HydrophobicContact CG1-CE2 4.08Å; V975-Y1023 WeakPolarHBondContact O-CE2 3.36Å; V975-Y1023 PolarHBondContact O-OH 3.24Å
976	S	79.6	Confident	75.5	Confident	44 Å²	44	55.7 Å²	55.7	31%	0.308	32%	0.319	S	S	.	.			trans	-78.1	147.4	174	-178.1	0	0	0	0	110.7	V978 D979 Y1023	S976-V978 PolarHBondContact O-N 3.33Å; S976-V978 WeakPolarHBondContact OG-CG2 3.47Å; S976-D979 WeakPolarHBondContact CB-OD2 3.47Å; S976-D979 PolarHBondContact N-OD2 3.23Å; S976-D979 WeakPolarHBondContact O-CB 3.28Å; S976-D979 PolarHBondContact O-N 3.46Å; S976-Y1023 WeakPolarHBondContact O-CE2 3.45Å
977	P	73.7	Confident	77.9	Confident	72 Å²	72	53.5 Å²	53.5	47%	0.468	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.4	175.6	-27.3	35.4	0	0	0	115.4	N1021 Y1023	P977-N1021 PolarHBondContact O-ND2 3.03Å; P977-Y1023 HydrophobicContact CB-CE2 4.43Å; P977-Y1023 HydrophobicContact CG-CE2 4.35Å
978	V	77.9	Confident	79.8	Confident	118 Å²	118	47.8 Å²	47.8	72%	0.715	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-7.8	178.5	-64.7	0	0	0	0	113.9	S976 S980	S976-V978 PolarHBondContact O-N 3.33Å; S976-V978 WeakPolarHBondContact OG-CG2 3.47Å; V978-S980 PolarHBondContact O-N 3.41Å
979	D	84.2	Confident	81.3	Confident	19 Å²	19	43.9 Å²	43.9	10%	0.102	25%	0.254	C	S	.	.			trans	-67	131.6	-177.9	-74.7	-20.7	0	0	0	110.4	V975 S976 D983 V984 K987 F1022	V975-D979 HydrophobicContact CG1-CB 3.83Å; S976-D979 WeakPolarHBondContact CB-OD2 3.47Å; S976-D979 PolarHBondContact N-OD2 3.23Å; S976-D979 WeakPolarHBondContact O-CB 3.28Å; S976-D979 PolarHBondContact O-N 3.46Å; D979-D983 HydrophobicContact CB-CB 4.34Å; D979-V984 HydrophobicContact CB-CG2 4.21Å; D979-K987 VanDerWaalsContact CG-NZ 3.34Å; D979-K987 IonicContact OD1-NZ 3.87Å; D979-K987 PolarHBondContact OD1-NZ 2.85Å; D979-K987 IonicContact OD2-NZ 3.25Å; D979-K987 PolarHBondContact OD2-NZ 3.09Å; D979-F1022 WeakPolarHBondContact O-CB 3.3Å; D979-F1022 PolarHBondContact O-N 3.28Å
980	S	87.3	Confident	82.3	Confident	24 Å²	24	49.7 Å²	49.7	17%	0.168	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-79	162.6	167.5	71.3	0	0	0	0	111.1	V978 S982 D983 V984 F1020	V978-S980 PolarHBondContact O-N 3.41Å; S980-S982 PolarHBondContact O-N 2.88Å; S980-D983 WeakPolarHBondContact CB-OD2 3.46Å; S980-D983 PolarHBondContact N-OD2 2.91Å; S980-D983 WeakPolarHBondContact O-CB 3.31Å; S980-D983 PolarHBondContact O-N 3.36Å; S980-D983 PolarHBondContact OG-N 2.95Å; S980-D983 PolarHBondContact OG-OD2 3.23Å; S980-V984 PolarHBondContact O-N 3.5Å; S980-V984 VanDerWaalsContact O-N 3.12Å; S980-F1020 VanDerWaalsContact CA-O 3.3Å; S980-F1020 WeakPolarHBondContact CA-O 3.41Å
981	V	85.7	Confident	82.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.1	-35.9	173.6	177	0	0	0	0	111.3	V984 L985 L1004 L1016 P1017 F1020 F1022	V981-V984 PolarHBondContact O-N 3.44Å; V981-L985 HydrophobicContact CG1-CD1 4.17Å; V981-L985 WeakPolarHBondContact O-CB 3.37Å; V981-L985 WeakPolarHBondContact O-CG 3.46Å; V981-L985 PolarHBondContact O-N 3.48Å; V981-L1004 HydrophobicContact CG1-CB 3.94Å; V981-L1004 HydrophobicContact CG1-CD2 4.26Å; V981-L1016 HydrophobicContact CG1-CB 3.93Å; V981-L1016 HydrophobicContact CG2-CB 3.92Å; V981-P1017 WeakPolarHBondContact CB-O 3.4Å; V981-P1017 WeakPolarHBondContact CG2-O 3.49Å; V981-F1020 PolarHBondContact N-O 3.45Å; V981-F1022 HydrophobicContact CG2-CD2 4Å
982	S	88.3	Confident	82.7	Confident	37 Å²	37	48.4 Å²	48.4	26%	0.259	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-36.6	174.5	-169.7	0	0	0	0	113.1	S980 L985 S986 K1018	S980-S982 PolarHBondContact O-N 2.88Å; S982-L985 PolarHBondContact O-N 3.34Å; S982-S986 WeakPolarHBondContact O-CB 3.33Å; S982-S986 PolarHBondContact O-N 2.76Å; S982-K1018 WeakPolarHBondContact CB-O 3.38Å; S982-K1018 PolarHBondContact N-O 3.2Å
983	D	90	Very high	82.4	Confident	70 Å²	70	44.7 Å²	44.7	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-68.5	-40.4	177.4	-58.8	-44.7	0	0	0	110.7	D979 S980 S986 K987	D979-D983 HydrophobicContact CB-CB 4.34Å; S980-D983 WeakPolarHBondContact CB-OD2 3.46Å; S980-D983 PolarHBondContact N-OD2 2.91Å; S980-D983 WeakPolarHBondContact O-CB 3.31Å; S980-D983 PolarHBondContact O-N 3.36Å; S980-D983 PolarHBondContact OG-N 2.95Å; S980-D983 PolarHBondContact OG-OD2 3.23Å; D983-S986 PolarHBondContact O-N 3.01Å; D983-K987 WeakPolarHBondContact O-CG 3.5Å; D983-K987 PolarHBondContact O-N 3.39Å
984	V	85.7	Confident	81.8	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-45.5	175	176.1	0	0	0	0	111.2	I921 V975 D979 S980 V981 S986 K987 A988 L1004 F1022	I921-V984 HydrophobicContact CD1-CG1 3.28Å; V975-V984 HydrophobicContact CG1-CG2 3.77Å; V975-V984 HydrophobicContact CG2-CG2 4.03Å; D979-V984 HydrophobicContact CB-CG2 4.21Å; S980-V984 PolarHBondContact O-N 3.5Å; S980-V984 VanDerWaalsContact O-N 3.12Å; V981-V984 PolarHBondContact O-N 3.44Å; V984-S986 VanDerWaalsContact C-N 3.34Å; V984-S986 PolarHBondContact O-N 3.28Å; V984-K987 PolarHBondContact O-N 2.92Å; V984-A988 WeakPolarHBondContact O-CB 3.47Å; V984-A988 PolarHBondContact O-N 3.06Å; V984-L1004 HydrophobicContact CG1-CD2 3.98Å; V984-F1022 HydrophobicContact CB-CD2 4.22Å; V984-F1022 HydrophobicContact CB-CE2 4.47Å; V984-F1022 HydrophobicContact CG1-CD2 4.35Å; V984-F1022 HydrophobicContact CG1-CE2 4.12Å; V984-F1022 HydrophobicContact CG2-CB 4.23Å; V984-F1022 HydrophobicContact CG2-CD2 3.82Å; V984-F1022 HydrophobicContact CG2-CE2 4.35Å; V984-F1022 HydrophobicContact CG2-CG 4.01Å
985	L	86	Confident	81.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-47	174	-83.2	162.5	0	0	0	111.5	V981 S982 A988 L989 V999 L1004 K1018 L1119	V981-L985 HydrophobicContact CG1-CD1 4.17Å; V981-L985 WeakPolarHBondContact O-CB 3.37Å; V981-L985 WeakPolarHBondContact O-CG 3.46Å; V981-L985 PolarHBondContact O-N 3.48Å; S982-L985 PolarHBondContact O-N 3.34Å; L985-A988 PolarHBondContact O-N 3.24Å; L985-L989 WeakPolarHBondContact O-CB 3.36Å; L985-L989 WeakPolarHBondContact O-CG 3.46Å; L985-L989 PolarHBondContact O-N 3.31Å; L985-V999 HydrophobicContact CB-CG1 3.62Å; L985-V999 HydrophobicContact CD1-CG1 3.72Å; L985-V999 HydrophobicContact CG-CG1 4.24Å; L985-L1004 HydrophobicContact CD1-CB 4.31Å; L985-L1004 HydrophobicContact CD2-CB 3.97Å; L985-L1004 HydrophobicContact CD2-CD1 3.25Å; L985-L1004 HydrophobicContact CD2-CG 4.16Å; L985-L1004 HydrophobicContact CG-CB 4.06Å; L985-L1004 HydrophobicContact CG-CD1 3.65Å; L985-L1004 HydrophobicContact CG-CG 4.31Å; L985-K1018 HydrophobicContact CD1-CD 4.4Å; L985-K1018 HydrophobicContact CD1-CG 4.2Å; L985-L1119 HydrophobicContact CD2-CD1 3.58Å; L985-L1119 HydrophobicContact CD2-CG 3.86Å
986	S	86.4	Confident	80.8	Confident	62 Å²	62	51.1 Å²	51.1	43%	0.434	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-43.5	179.6	-173.5	0	0	0	0	112	S982 D983 V984 K990	S982-S986 WeakPolarHBondContact O-CB 3.33Å; S982-S986 PolarHBondContact O-N 2.76Å; D983-S986 PolarHBondContact O-N 3.01Å; V984-S986 VanDerWaalsContact C-N 3.34Å; V984-S986 PolarHBondContact O-N 3.28Å; S986-K990 WeakPolarHBondContact O-CB 3.49Å; S986-K990 PolarHBondContact O-N 3.45Å
987	K	86	Confident	80.6	Confident	87 Å²	87	52.7 Å²	52.7	38%	0.378	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-45.2	173.8	-74.5	175.9	-172.3	172.7	0	111.4	L973 D979 D983 V984 K990 L991	L973-K987 HydrophobicContact CD2-CB 4.13Å; D979-K987 VanDerWaalsContact CG-NZ 3.34Å; D979-K987 IonicContact OD1-NZ 3.87Å; D979-K987 PolarHBondContact OD1-NZ 2.85Å; D979-K987 IonicContact OD2-NZ 3.25Å; D979-K987 PolarHBondContact OD2-NZ 3.09Å; D983-K987 WeakPolarHBondContact O-CG 3.5Å; D983-K987 PolarHBondContact O-N 3.39Å; V984-K987 PolarHBondContact O-N 2.92Å; K987-K990 PolarHBondContact O-N 3.29Å; K987-L991 WeakPolarHBondContact O-CG 3.24Å; K987-L991 PolarHBondContact O-N 2.88Å; K987-L991 VanDerWaalsContact O-N 3.1Å
988	A	84.2	Confident	80.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-50.4	178.8	0	0	0	0	0	112.1	V923 L973 V984 L985 K990 L991 F992 L1119	V923-A988 HydrophobicContact CB-CB 4.43Å; V923-A988 HydrophobicContact CG1-CB 4.03Å; V923-A988 HydrophobicContact CG2-CB 4.44Å; L973-A988 HydrophobicContact CD1-CB 3.76Å; V984-A988 WeakPolarHBondContact O-CB 3.47Å; V984-A988 PolarHBondContact O-N 3.06Å; L985-A988 PolarHBondContact O-N 3.24Å; A988-K990 VanDerWaalsContact C-N 3.29Å; A988-K990 PolarHBondContact O-N 2.88Å; A988-L991 PolarHBondContact O-N 2.74Å; A988-F992 HydrophobicContact CB-CD2 4.39Å; A988-F992 HydrophobicContact CB-CE2 4.3Å; A988-F992 WeakPolarHBondContact O-CD2 3.28Å; A988-F992 PolarHBondContact O-N 3.33Å; A988-L1119 HydrophobicContact CB-CD1 3.86Å
989	L	81.6	Confident	80.6	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-39.2	178.9	-72.4	172.8	0	0	0	112	L985 L991 F992 G993 C994 V999 Y1002 L1119	L985-L989 WeakPolarHBondContact O-CB 3.36Å; L985-L989 WeakPolarHBondContact O-CG 3.46Å; L985-L989 PolarHBondContact O-N 3.31Å; L989-L991 VanDerWaalsContact C-N 3.33Å; L989-L991 PolarHBondContact O-N 3.09Å; L989-F992 PolarHBondContact O-N 3.16Å; L989-G993 PolarHBondContact O-N 3.06Å; L989-C994 HydrophobicContact CB-CB 4.3Å; L989-C994 HydrophobicContact CD2-CB 3.94Å; L989-C994 CarbonylContact O-C 3.6Å; L989-C994 WeakPolarHBondContact O-CA 3.49Å; L989-C994 PolarHBondContact O-N 3.44Å; L989-V999 HydrophobicContact CD1-CG2 4.13Å; L989-Y1002 HydrophobicContact CD1-CD2 3.77Å; L989-Y1002 HydrophobicContact CD1-CE2 4.22Å; L989-Y1002 HydrophobicContact CD1-CG 4.46Å; L989-Y1002 HydrophobicContact CD2-CD2 3.84Å; L989-Y1002 HydrophobicContact CD2-CE1 4.43Å; L989-Y1002 HydrophobicContact CD2-CE2 3.72Å; L989-Y1002 HydrophobicContact CD2-CG 4.26Å; L989-Y1002 HydrophobicContact CG-CD2 4.42Å; L989-L1119 HydrophobicContact CD2-CD1 4.38Å; L989-L1119 HydrophobicContact CD2-CD2 3.84Å; L989-L1119 HydrophobicContact CG-CD1 4.37Å
990	K	82	Confident	80.3	Confident	155 Å²	155	57 Å²	57	67%	0.674	32%	0.317	S	S	*	.	H	α-helix	trans	-61.6	-41.2	174.7	-170.8	175.4	-179.3	178.6	0	111.8	S986 K987 A988 G993 A995	S986-K990 WeakPolarHBondContact O-CB 3.49Å; S986-K990 PolarHBondContact O-N 3.45Å; K987-K990 PolarHBondContact O-N 3.29Å; A988-K990 VanDerWaalsContact C-N 3.29Å; A988-K990 PolarHBondContact O-N 2.88Å; K990-G993 PolarHBondContact O-N 3.33Å; K990-A995 HydrophobicContact CG-CB 4.49Å
991	L	80.3	Confident	79.9	Confident	86 Å²	86	60.3 Å²	60.3	45%	0.45	33%	0.333	S	S	.	.	H	α-helix	trans	-74.6	-30	177.8	-66.8	178.9	0	0	0	113.5	I971 L973 K987 A988 L989 G993	I971-L991 VanDerWaalsContact CD1-C 3.48Å; I971-L991 HydrophobicContact CD1-CB 3.63Å; I971-L991 HydrophobicContact CG2-CB 4.08Å; I971-L991 HydrophobicContact CG2-CD1 3.6Å; I971-L991 HydrophobicContact CG2-CG 4.5Å; L973-L991 HydrophobicContact CD2-CD1 3.3Å; L973-L991 HydrophobicContact CG-CD1 4.16Å; K987-L991 WeakPolarHBondContact O-CG 3.24Å; K987-L991 PolarHBondContact O-N 2.88Å; K987-L991 VanDerWaalsContact O-N 3.1Å; A988-L991 PolarHBondContact O-N 2.74Å; L989-L991 VanDerWaalsContact C-N 3.33Å; L989-L991 PolarHBondContact O-N 3.09Å; L991-G993 PolarHBondContact O-N 3.43Å
992	F	77.3	Confident	79.6	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.3	170.4	-74.7	-62.5	0	0	0	113.5	V923 L925 V943 P969 I971 A988 L989	V923-F992 HydrophobicContact CB-CE2 4.46Å; V923-F992 HydrophobicContact CG1-CE2 3.95Å; V923-F992 HydrophobicContact CG1-CZ 4.44Å; V923-F992 WeakPolarHBondContact O-CZ 3.38Å; L925-F992 HydrophobicContact CB-CD1 4.1Å; L925-F992 HydrophobicContact CB-CD2 4.14Å; L925-F992 HydrophobicContact CB-CE1 3.81Å; L925-F992 HydrophobicContact CB-CE2 3.86Å; L925-F992 HydrophobicContact CB-CG 4.28Å; L925-F992 HydrophobicContact CB-CZ 3.68Å; L925-F992 HydrophobicContact CD2-CB 4.28Å; L925-F992 HydrophobicContact CD2-CD1 4.22Å; L925-F992 HydrophobicContact CD2-CD2 4.44Å; L925-F992 HydrophobicContact CD2-CG 4.08Å; V943-F992 HydrophobicContact CG1-CD1 4.06Å; V943-F992 WeakPolarHBondContact CG2-O 3.49Å; P969-F992 HydrophobicContact CB-CD1 4.32Å; P969-F992 HydrophobicContact CB-CE1 3.93Å; P969-F992 HydrophobicContact CG-CD1 4.48Å; P969-F992 HydrophobicContact CG-CE1 4.17Å; P969-F992 WeakPolarHBondContact O-CE1 3.08Å; I971-F992 HydrophobicContact CB-CE1 4.47Å; I971-F992 HydrophobicContact CB-CZ 4.26Å; I971-F992 HydrophobicContact CD1-CB 4.41Å; I971-F992 HydrophobicContact CD1-CD1 3.37Å; I971-F992 HydrophobicContact CD1-CD2 4.08Å; I971-F992 HydrophobicContact CD1-CE1 3.47Å; I971-F992 VanDerWaalsContact CD1-CE1 3.47Å; I971-F992 HydrophobicContact CD1-CE2 4.15Å; I971-F992 HydrophobicContact CD1-CG 3.68Å; I971-F992 HydrophobicContact CD1-CZ 3.87Å; I971-F992 HydrophobicContact CG1-CD1 4.03Å; I971-F992 HydrophobicContact CG1-CE1 3.59Å; I971-F992 HydrophobicContact CG1-CZ 3.86Å; A988-F992 HydrophobicContact CB-CD2 4.39Å; A988-F992 HydrophobicContact CB-CE2 4.3Å; A988-F992 WeakPolarHBondContact O-CD2 3.28Å; A988-F992 PolarHBondContact O-N 3.33Å; L989-F992 PolarHBondContact O-N 3.16Å
993	G	72.8	Confident	79.2	Confident	59 Å²	59	62.4 Å²	62.4	61%	0.608	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	20.1	-176.9	0	0	0	0	0	114.2	L989 K990 L991	L989-G993 PolarHBondContact O-N 3.06Å; K990-G993 PolarHBondContact O-N 3.33Å; L991-G993 PolarHBondContact O-N 3.43Å
994	C	69.6	Low	78.7	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.034	32%	0.323	C	S	.	.			trans	-106.8	31.1	-180	-69.7	0	0	0	0	112.9	F939 L989 D996 Q997	F939-C994 WeakPolarHBondContact CE2-SG 3.31Å; F939-C994 WeakPolarHBondContact CZ-SG 3.32Å; L989-C994 HydrophobicContact CB-CB 4.3Å; L989-C994 HydrophobicContact CD2-CB 3.94Å; L989-C994 CarbonylContact O-C 3.6Å; L989-C994 WeakPolarHBondContact O-CA 3.49Å; L989-C994 PolarHBondContact O-N 3.44Å; C994-D996 PolarHBondContact O-N 3.07Å; C994-D996 VanDerWaalsContact O-N 3.08Å; C994-Q997 HydrophobicContact CB-CB 4.44Å; C994-Q997 HydrophobicContact CB-CG 4.22Å; C994-Q997 WeakPolarHBondContact O-CB 3.34Å; C994-Q997 PolarHBondContact O-N 3.05Å
995	A	66.6	Low	78.3	Confident	66 Å²	66	60.3 Å²	60.3	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.5	-174.3	0	0	0	0	0	113.8	K990 Q997	K990-A995 HydrophobicContact CG-CB 4.49Å; A995-Q997 PolarHBondContact O-N 3.47Å
996	D	71.8	Confident	77.9	Confident	162 Å²	162	61.2 Å²	61.2	87%	0.866	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.8	-179.1	-44.8	-30.5	0	0	0	112.7	C994	C994-D996 PolarHBondContact O-N 3.07Å; C994-D996 VanDerWaalsContact O-N 3.08Å
997	Q	74.3	Confident	77	Confident	77 Å²	77	60 Å²	60	36%	0.36	32%	0.323	S	S	.	.	S	Bend	trans	-89.6	142.7	-176.8	-62.2	-179.9	-12.2	0	0	111.7	C994 A995 V999 Y1002	C994-Q997 HydrophobicContact CB-CB 4.44Å; C994-Q997 HydrophobicContact CB-CG 4.22Å; C994-Q997 WeakPolarHBondContact O-CB 3.34Å; C994-Q997 PolarHBondContact O-N 3.05Å; A995-Q997 PolarHBondContact O-N 3.47Å; Q997-V999 PolarHBondContact O-N 3.02Å; Q997-Y1002 HydrophobicContact CB-CE2 4.06Å; Q997-Y1002 PolarHBondContact OE1-OH 3.49Å
998	K	74	Confident	76	Confident	147 Å²	147	59.9 Å²	59.9	64%	0.639	32%	0.324	S	S	*	.			trans	-74.3	128.8	179.8	-65.1	-176.9	-179.2	177.7	0	110.2	D1000 N1001	K998-D1000 PolarHBondContact O-N 3.3Å; K998-D1000 VanDerWaalsContact O-N 3.09Å; K998-N1001 WeakPolarHBondContact O-CB 3.09Å; K998-N1001 PolarHBondContact O-N 3.44Å
999	V	78.8	Confident	74.6	Confident	26 Å²	26	69.4 Å²	69.4	16%	0.158	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-53.3	-28.8	171.9	176	0	0	0	0	111.9	L985 L989 Q997 N1001 Y1002 K1018	L985-V999 HydrophobicContact CB-CG1 3.62Å; L985-V999 HydrophobicContact CD1-CG1 3.72Å; L985-V999 HydrophobicContact CG-CG1 4.24Å; L989-V999 HydrophobicContact CD1-CG2 4.13Å; Q997-V999 PolarHBondContact O-N 3.02Å; V999-N1001 PolarHBondContact O-N 3.25Å; V999-Y1002 PolarHBondContact O-N 2.89Å; V999-Y1002 VanDerWaalsContact O-O 3.05Å; V999-K1018 PolarHBondContact O-NZ 3.45Å; V999-K1018 VanDerWaalsContact O-NZ 3.12Å
1000	D	77.4	Confident	73.2	Confident	126 Å²	126	75.5 Å²	75.5	67%	0.674	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24.4	176.4	-70.3	-29.5	0	0	0	113.8	K998 Y1002 K1018	K998-D1000 PolarHBondContact O-N 3.3Å; K998-D1000 VanDerWaalsContact O-N 3.09Å; D1000-Y1002 PolarHBondContact O-N 3.35Å; D1000-K1018 PolarHBondContact O-NZ 2.86Å
1001	N	78.3	Confident	71.9	Confident	94 Å²	94	69.9 Å²	69.9	50%	0.503	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-81.4	2.3	177.6	-62.2	-7.8	0	0	0	113	K998 V999 S1121	K998-N1001 WeakPolarHBondContact O-CB 3.09Å; K998-N1001 PolarHBondContact O-N 3.44Å; V999-N1001 PolarHBondContact O-N 3.25Å; N1001-S1121 CarbonylContact O-C 3.54Å; N1001-S1121 WeakPolarHBondContact O-CA 3.34Å
1002	Y	80.1	Confident	71	Confident	12 Å²	12	76 Å²	76	5%	0.047	40%	0.397	C	S	.	.			trans	-136	137.4	-173.6	-70.1	-79.4	0	0	0	112.1	L925 L989 Q997 V999 D1000 K1018 L1119 W1120 S1121	L925-Y1002 HydrophobicContact CD1-CE1 3.96Å; L989-Y1002 HydrophobicContact CD1-CD2 3.77Å; L989-Y1002 HydrophobicContact CD1-CE2 4.22Å; L989-Y1002 HydrophobicContact CD1-CG 4.46Å; L989-Y1002 HydrophobicContact CD2-CD2 3.84Å; L989-Y1002 HydrophobicContact CD2-CE1 4.43Å; L989-Y1002 HydrophobicContact CD2-CE2 3.72Å; L989-Y1002 HydrophobicContact CD2-CG 4.26Å; L989-Y1002 HydrophobicContact CG-CD2 4.42Å; Q997-Y1002 HydrophobicContact CB-CE2 4.06Å; Q997-Y1002 PolarHBondContact OE1-OH 3.49Å; V999-Y1002 PolarHBondContact O-N 2.89Å; V999-Y1002 VanDerWaalsContact O-O 3.05Å; D1000-Y1002 PolarHBondContact O-N 3.35Å; Y1002-K1018 WeakPolarHBondContact O-CE 3.19Å; Y1002-K1018 PolarHBondContact O-NZ 2.77Å; Y1002-L1119 HydrophobicContact CD1-CD2 3.08Å; Y1002-L1119 HydrophobicContact CD1-CG 4.24Å; Y1002-L1119 HydrophobicContact CD2-CD2 4.44Å; Y1002-L1119 HydrophobicContact CE1-CD2 3.58Å; Y1002-L1119 HydrophobicContact CG-CD2 3.55Å; Y1002-W1120 CarbonylContact C-O 3.47Å; Y1002-W1120 VanDerWaalsContact CA-O 3.28Å; Y1002-W1120 WeakPolarHBondContact CA-O 3.36Å; Y1002-S1121 VanDerWaalsContact CD1-CA 3.47Å
1003	D	80.4	Confident	70.5	Confident	70 Å²	70	80.2 Å²	80.2	37%	0.374	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.7	173.7	-73	-22.5	0	0	0	110.1	T1015 K1018 W1120	D1003-T1015 HydrophobicContact CB-CG2 3.87Å; D1003-K1018 WeakPolarHBondContact OD1-CE 3.49Å; D1003-K1018 IonicContact OD1-NZ 3.08Å; D1003-K1018 PolarHBondContact OD1-NZ 2.89Å; D1003-K1018 VanDerWaalsContact OD1-NZ 3.11Å; D1003-W1120 PolarHBondContact N-O 3.47Å; D1003-W1120 PolarHBondContact O-N 3.48Å
1004	L	78.9	Confident	70.4	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.6	179	-142.6	88.1	0	0	0	108.2	V923 V981 V984 L985 L1016 F1022 V1117 E1118 L1119	V923-L1004 HydrophobicContact CG1-CD1 4.42Å; V981-L1004 HydrophobicContact CG1-CB 3.94Å; V981-L1004 HydrophobicContact CG1-CD2 4.26Å; V984-L1004 HydrophobicContact CG1-CD2 3.98Å; L985-L1004 HydrophobicContact CD1-CB 4.31Å; L985-L1004 HydrophobicContact CD2-CB 3.97Å; L985-L1004 HydrophobicContact CD2-CD1 3.25Å; L985-L1004 HydrophobicContact CD2-CG 4.16Å; L985-L1004 HydrophobicContact CG-CB 4.06Å; L985-L1004 HydrophobicContact CG-CD1 3.65Å; L985-L1004 HydrophobicContact CG-CG 4.31Å; L1004-L1016 HydrophobicContact CD2-CD1 4.27Å; L1004-L1016 WeakPolarHBondContact O-CB 3.33Å; L1004-L1016 PolarHBondContact O-N 3.41Å; L1004-F1022 HydrophobicContact CD2-CD2 4.41Å; L1004-F1022 HydrophobicContact CD2-CE2 3.64Å; L1004-V1117 HydrophobicContact CB-CG1 4.25Å; L1004-V1117 HydrophobicContact CD1-CG1 4.49Å; L1004-V1117 HydrophobicContact CD2-CB 4.28Å; L1004-V1117 HydrophobicContact CD2-CG1 3.56Å; L1004-V1117 HydrophobicContact CG-CB 4.36Å; L1004-V1117 HydrophobicContact CG-CG1 3.45Å; L1004-V1117 VanDerWaalsContact CG-CG1 3.45Å; L1004-E1118 CarbonylContact C-O 3.54Å; L1004-L1119 HydrophobicContact CD1-CB 4.32Å; L1004-L1119 HydrophobicContact CD1-CD1 3.78Å; L1004-L1119 HydrophobicContact CD1-CG 4.13Å
1005	I	77.1	Confident	70.8	Confident	27 Å²	27	83.3 Å²	83.3	14%	0.138	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.4	-172.9	-55.9	-169.4	0	0	0	109.2	V1007 D1013 I1014 V1117 E1118 W1120	I1005-V1007 PolarHBondContact O-N 3.17Å; I1005-D1013 HydrophobicContact CG2-CB 3.56Å; I1005-I1014 WeakPolarHBondContact CA-O 3.35Å; I1005-V1117 VanDerWaalsContact C-CG1 3.41Å; I1005-V1117 CarbonylContact O-C 3.54Å; I1005-V1117 WeakPolarHBondContact O-CA 3.18Å; I1005-V1117 WeakPolarHBondContact O-CG1 3.46Å; I1005-E1118 HydrophobicContact CB-CB 4.41Å; I1005-E1118 PolarHBondContact N-O 3.03Å; I1005-E1118 PolarHBondContact O-N 3.05Å; I1005-W1120 HydrophobicContact CD1-CB 3.99Å; I1005-W1120 VanDerWaalsContact CD1-CD1 3.4Å; I1005-W1120 HydrophobicContact CD1-CD2 4.32Å; I1005-W1120 HydrophobicContact CD1-CG 3.63Å; I1005-W1120 HydrophobicContact CG1-CG 4.35Å
1006	H	78.7	Confident	71.4	Confident	19 Å²	19	80.3 Å²	80.3	9%	0.088	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.6	177.4	-177.3	-96	0	0	0	110.6	I1014 L1016 C1115	H1006-I1014 PolarHBondContact N-O 2.92Å; H1006-I1014 PolarHBondContact O-N 2.88Å; H1006-L1016 HydrophobicContact CB-CD1 4.09Å; H1006-L1016 HydrophobicContact CB-CD2 4.06Å; H1006-L1016 HydrophobicContact CB-CG 4.07Å; H1006-C1115 PolarHBondContact CD2-SG 3.26Å; H1006-C1115 PolarHBondContact NE2-SG 3.01Å
1007	V	66.6	Low	71.9	Confident	36 Å²	36	76 Å²	76	22%	0.218	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.6	179.9	-177.8	0	0	0	0	109.1	I1005 T1116 E1118	I1005-V1007 PolarHBondContact O-N 3.17Å; V1007-T1116 PolarHBondContact N-O 3.48Å; V1007-T1116 PolarHBondContact O-OG1 2.91Å; V1007-T1116 VanDerWaalsContact O-OG1 3.13Å; V1007-E1118 HydrophobicContact CG2-CB 4.06Å; V1007-E1118 HydrophobicContact CG2-CG 3.49Å; V1007-E1118 VanDerWaalsContact CG2-CG 3.49Å
1008	H	64.2	Low	72.2	Confident	86 Å²	86	74 Å²	74	40%	0.398	37%	0.37	S	S	.	.			trans	-115.1	131.1	176.6	-169.5	-82.8	0	0	0	109.3	D1010 A1011	H1008-D1010 PolarHBondContact ND1-N 3.07Å; H1008-D1010 VanDerWaalsContact ND1-N 3.2Å; H1008-D1010 PolarHBondContact O-N 3.33Å; H1008-D1010 VanDerWaalsContact O-N 3.1Å; H1008-A1011 HydrophobicContact CB-CB 3.89Å; H1008-A1011 WeakPolarHBondContact ND1-CB 3.33Å; H1008-A1011 PolarHBondContact ND1-N 3.17Å; H1008-A1011 PolarHBondContact O-N 3.24Å
1009	K	55.5	Low	72.6	Confident	199 Å²	199	75.5 Å²	75.5	87%	0.865	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.7	-176.4	-84	-173.8	174.2	-178.7	0	113.6
1010	D	51.5	Low	72.6	Confident	132 Å²	132	79.5 Å²	79.5	71%	0.706	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	13.4	-172.2	-51.2	-51.1	0	0	0	114.2	H1008	H1008-D1010 PolarHBondContact ND1-N 3.07Å; H1008-D1010 VanDerWaalsContact ND1-N 3.2Å; H1008-D1010 PolarHBondContact O-N 3.33Å; H1008-D1010 VanDerWaalsContact O-N 3.1Å
1011	A	55.4	Low	72.9	Confident	36 Å²	36	75.4 Å²	75.4	30%	0.298	37%	0.373	S	S	.	.	S	Bend	trans	-135	167.3	-178.9	0	0	0	0	0	111.9	H1008 L1033	H1008-A1011 HydrophobicContact CB-CB 3.89Å; H1008-A1011 WeakPolarHBondContact ND1-CB 3.33Å; H1008-A1011 PolarHBondContact ND1-N 3.17Å; H1008-A1011 PolarHBondContact O-N 3.24Å; A1011-L1033 HydrophobicContact CB-CD2 4.49Å
1012	R	61.3	Low	73.1	Confident	214 Å²	214	71 Å²	71	81%	0.808	35%	0.349	S	S	*	.			trans	-65.6	141.5	173.8	-68.3	-174.2	-178.8	-172.8	-0.3	109.8	I1014	R1012-I1014 WeakPolarHBondContact O-CG1 3.4Å
1013	D	67.6	Low	72.9	Confident	92 Å²	92	72.3 Å²	72.3	49%	0.492	35%	0.354	S	S	.	.			trans	-60.7	133.5	172.9	-62.8	-35.8	0	0	0	110.6	I1005	I1005-D1013 HydrophobicContact CG2-CB 3.56Å
1014	I	69.6	Low	72.5	Confident	54 Å²	54	74.2 Å²	74.2	28%	0.277	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.7	-174.5	-67.7	163.4	0	0	0	109.7	I1005 H1006 R1012 L1016	I1005-I1014 WeakPolarHBondContact CA-O 3.35Å; H1006-I1014 PolarHBondContact N-O 2.92Å; H1006-I1014 PolarHBondContact O-N 2.88Å; R1012-I1014 WeakPolarHBondContact O-CG1 3.4Å; I1014-L1016 PolarHBondContact O-N 3.37Å
1015	T	78	Confident	72.1	Confident	75 Å²	75	74.6 Å²	74.6	46%	0.46	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.9	172	-48.9	0	0	0	0	110.6	D1003	D1003-T1015 HydrophobicContact CB-CG2 3.87Å
1016	L	79	Confident	71.7	Confident	3 Å²	3	74.5 Å²	74.5	2%	0.016	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.4	-179.6	-61.3	172.8	0	0	0	110.4	V981 L1004 H1006 I1014 K1018 F1022 V1117	V981-L1016 HydrophobicContact CG1-CB 3.93Å; V981-L1016 HydrophobicContact CG2-CB 3.92Å; L1004-L1016 HydrophobicContact CD2-CD1 4.27Å; L1004-L1016 WeakPolarHBondContact O-CB 3.33Å; L1004-L1016 PolarHBondContact O-N 3.41Å; H1006-L1016 HydrophobicContact CB-CD1 4.09Å; H1006-L1016 HydrophobicContact CB-CD2 4.06Å; H1006-L1016 HydrophobicContact CB-CG 4.07Å; I1014-L1016 PolarHBondContact O-N 3.37Å; L1016-K1018 PolarHBondContact O-N 2.92Å; L1016-F1022 HydrophobicContact CD1-CD2 4.4Å; L1016-F1022 HydrophobicContact CD1-CE2 3.84Å; L1016-F1022 HydrophobicContact CD1-CZ 4.49Å; L1016-V1117 HydrophobicContact CD1-CG1 4.27Å
1017	P	82.5	Confident	70.9	Confident	72 Å²	72	77 Å²	77	47%	0.468	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-64.6	127.3	179.7	-20.9	31.8	0	0	0	112.6	V981 H1019 F1020	V981-P1017 WeakPolarHBondContact CB-O 3.4Å; V981-P1017 WeakPolarHBondContact CG2-O 3.49Å; P1017-H1019 VanDerWaalsContact C-N 3.29Å; P1017-H1019 PolarHBondContact O-N 2.81Å; P1017-H1019 VanDerWaalsContact O-N 3.12Å; P1017-F1020 HydrophobicContact CB-CB 4.36Å; P1017-F1020 HydrophobicContact CB-CD2 4.11Å; P1017-F1020 HydrophobicContact CB-CG 4.41Å; P1017-F1020 PolarHBondContact O-N 2.99Å; P1017-F1020 VanDerWaalsContact O-N 3.1Å
1018	K	80.7	Confident	69.8	Low	35 Å²	35	82.9 Å²	82.9	15%	0.152	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.5	-171.4	-59.2	-173.3	-172.3	-170.7	0	115.1	S982 L985 V999 D1000 Y1002 D1003 L1016	S982-K1018 WeakPolarHBondContact CB-O 3.38Å; S982-K1018 PolarHBondContact N-O 3.2Å; L985-K1018 HydrophobicContact CD1-CD 4.4Å; L985-K1018 HydrophobicContact CD1-CG 4.2Å; V999-K1018 PolarHBondContact O-NZ 3.45Å; V999-K1018 VanDerWaalsContact O-NZ 3.12Å; D1000-K1018 PolarHBondContact O-NZ 2.86Å; Y1002-K1018 WeakPolarHBondContact O-CE 3.19Å; Y1002-K1018 PolarHBondContact O-NZ 2.77Å; D1003-K1018 WeakPolarHBondContact OD1-CE 3.49Å; D1003-K1018 IonicContact OD1-NZ 3.08Å; D1003-K1018 PolarHBondContact OD1-NZ 2.89Å; D1003-K1018 VanDerWaalsContact OD1-NZ 3.11Å; L1016-K1018 PolarHBondContact O-N 2.92Å
1019	H	82.8	Confident	68.9	Low	178 Å²	178	79.7 Å²	79.7	82%	0.824	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.4	-176.3	-57	-52.4	0	0	0	114.4	P1017	P1017-H1019 VanDerWaalsContact C-N 3.29Å; P1017-H1019 PolarHBondContact O-N 2.81Å; P1017-H1019 VanDerWaalsContact O-N 3.12Å
1020	F	80	Confident	68.2	Low	110 Å²	110	74.8 Å²	74.8	48%	0.482	38%	0.375	S	S	.	.	S	Bend	trans	-83.4	154.4	-178.4	-94	-118.2	0	0	0	111.2	S980 V981 P1017 F1022	S980-F1020 VanDerWaalsContact CA-O 3.3Å; S980-F1020 WeakPolarHBondContact CA-O 3.41Å; V981-F1020 PolarHBondContact N-O 3.45Å; P1017-F1020 HydrophobicContact CB-CB 4.36Å; P1017-F1020 HydrophobicContact CB-CD2 4.11Å; P1017-F1020 HydrophobicContact CB-CG 4.41Å; P1017-F1020 PolarHBondContact O-N 2.99Å; P1017-F1020 VanDerWaalsContact O-N 3.1Å; F1020-F1022 PolarHBondContact O-N 3.48Å
1021	N	83.8	Confident	67.2	Low	40 Å²	40	74.1 Å²	74.1	21%	0.214	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-61.8	132.3	169.1	-179.5	-81.6	0	0	0	109.7	P977 Y1023 E1024 S1025	P977-N1021 PolarHBondContact O-ND2 3.03Å; N1021-Y1023 PolarHBondContact O-N 3.21Å; N1021-Y1023 WeakPolarHBondContact OD1-CB 3.3Å; N1021-Y1023 PolarHBondContact OD1-N 2.96Å; N1021-E1024 HydrophobicContact CB-CB 4.18Å; N1021-E1024 HydrophobicContact CB-CG 4.15Å; N1021-E1024 PolarHBondContact O-N 2.99Å; N1021-E1024 PolarHBondContact OD1-N 3.42Å; N1021-S1025 WeakPolarHBondContact O-CB 3.15Å; N1021-S1025 PolarHBondContact O-N 3.28Å; N1021-S1025 PolarHBondContact O-OG 3.38Å
1022	F	80.8	Confident	66	Low	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63.3	-43.3	-173.5	-173.4	-91.9	0	0	0	112.2	L919 I921 V975 D979 V981 V984 L1004 L1016 F1020 E1024 S1025 I1026 V1117	L919-F1022 HydrophobicContact CD2-CD1 3.72Å; L919-F1022 HydrophobicContact CD2-CE1 3.51Å; I921-F1022 HydrophobicContact CD1-CE1 4.47Å; I921-F1022 HydrophobicContact CD1-CE2 4.41Å; I921-F1022 HydrophobicContact CD1-CZ 3.93Å; I921-F1022 HydrophobicContact CG2-CE1 3.55Å; I921-F1022 HydrophobicContact CG2-CZ 3.73Å; V975-F1022 HydrophobicContact CB-CD1 4.23Å; V975-F1022 HydrophobicContact CB-CE1 4.5Å; V975-F1022 HydrophobicContact CG1-CB 3.98Å; V975-F1022 HydrophobicContact CG1-CD1 3.64Å; V975-F1022 HydrophobicContact CG1-CE1 4.34Å; V975-F1022 HydrophobicContact CG1-CG 3.95Å; V975-F1022 HydrophobicContact CG2-CD1 4.12Å; V975-F1022 HydrophobicContact CG2-CE1 3.98Å; D979-F1022 WeakPolarHBondContact O-CB 3.3Å; D979-F1022 PolarHBondContact O-N 3.28Å; V981-F1022 HydrophobicContact CG2-CD2 4Å; V984-F1022 HydrophobicContact CB-CD2 4.22Å; V984-F1022 HydrophobicContact CB-CE2 4.47Å; V984-F1022 HydrophobicContact CG1-CD2 4.35Å; V984-F1022 HydrophobicContact CG1-CE2 4.12Å; V984-F1022 HydrophobicContact CG2-CB 4.23Å; V984-F1022 HydrophobicContact CG2-CD2 3.82Å; V984-F1022 HydrophobicContact CG2-CE2 4.35Å; V984-F1022 HydrophobicContact CG2-CG 4.01Å; L1004-F1022 HydrophobicContact CD2-CD2 4.41Å; L1004-F1022 HydrophobicContact CD2-CE2 3.64Å; L1016-F1022 HydrophobicContact CD1-CD2 4.4Å; L1016-F1022 HydrophobicContact CD1-CE2 3.84Å; L1016-F1022 HydrophobicContact CD1-CZ 4.49Å; F1020-F1022 PolarHBondContact O-N 3.48Å; F1022-E1024 PolarHBondContact O-N 3.02Å; F1022-S1025 WeakPolarHBondContact CA-OG 3.43Å; F1022-S1025 PolarHBondContact O-N 3.02Å; F1022-S1025 PolarHBondContact O-OG 2.98Å; F1022-I1026 HydrophobicContact CD1-CD1 3.73Å; F1022-I1026 HydrophobicContact CE1-CD1 3.08Å; F1022-I1026 HydrophobicContact CE1-CG1 4.2Å; F1022-I1026 HydrophobicContact CE2-CD1 4.37Å; F1022-I1026 HydrophobicContact CZ-CD1 3.47Å; F1022-I1026 VanDerWaalsContact CZ-CD1 3.47Å; F1022-I1026 HydrophobicContact CZ-CG1 4.38Å; F1022-I1026 PolarHBondContact O-N 3.25Å; F1022-V1117 HydrophobicContact CZ-CG2 4.08Å
1023	Y	77.4	Confident	64.6	Low	41 Å²	41	74.6 Å²	74.6	16%	0.161	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-41.3	178.4	-84.8	-103.6	0	0	0	112.4	L919 V975 S976 P977 N1021 S1025 N1027	L919-Y1023 HydrophobicContact CB-CE1 3.73Å; L919-Y1023 HydrophobicContact CB-CE2 3.95Å; L919-Y1023 VanDerWaalsContact CB-OH 3.23Å; L919-Y1023 WeakPolarHBondContact CB-OH 3.35Å; L919-Y1023 HydrophobicContact CD2-CD1 4.39Å; L919-Y1023 HydrophobicContact CD2-CD2 4.4Å; L919-Y1023 HydrophobicContact CD2-CE1 4.27Å; L919-Y1023 HydrophobicContact CD2-CE2 4.24Å; L919-Y1023 HydrophobicContact CD2-CG 4.49Å; L919-Y1023 PolarHBondContact N-OH 3.39Å; V975-Y1023 HydrophobicContact CB-CE2 4.31Å; V975-Y1023 HydrophobicContact CG1-CD2 4.34Å; V975-Y1023 HydrophobicContact CG1-CE2 4.08Å; V975-Y1023 WeakPolarHBondContact O-CE2 3.36Å; V975-Y1023 PolarHBondContact O-OH 3.24Å; S976-Y1023 WeakPolarHBondContact O-CE2 3.45Å; P977-Y1023 HydrophobicContact CB-CE2 4.43Å; P977-Y1023 HydrophobicContact CG-CE2 4.35Å; N1021-Y1023 PolarHBondContact O-N 3.21Å; N1021-Y1023 WeakPolarHBondContact OD1-CB 3.3Å; N1021-Y1023 PolarHBondContact OD1-N 2.96Å; Y1023-S1025 VanDerWaalsContact C-N 3.34Å; Y1023-N1027 PolarHBondContact O-N 3.26Å; Y1023-N1027 PolarHBondContact O-ND2 3.31Å
1024	E	71.3	Confident	62.7	Low	109 Å²	109	74.7 Å²	74.7	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-40.9	175.8	-69.3	-173.3	165.7	0	0	111.1	N1021 F1022 I1026 N1027 Y1028	N1021-E1024 HydrophobicContact CB-CB 4.18Å; N1021-E1024 HydrophobicContact CB-CG 4.15Å; N1021-E1024 PolarHBondContact O-N 2.99Å; N1021-E1024 PolarHBondContact OD1-N 3.42Å; F1022-E1024 PolarHBondContact O-N 3.02Å; E1024-I1026 PolarHBondContact O-N 3.45Å; E1024-N1027 PolarHBondContact O-N 3.39Å; E1024-Y1028 WeakPolarHBondContact O-CB 3.32Å; E1024-Y1028 PolarHBondContact O-N 3.42Å
1025	S	71.1	Confident	60.8	Low	9 Å²	9	79.7 Å²	79.7	6%	0.063	41%	0.414	C	S	.	.	H	α-helix	trans	-65.1	-33.9	-176.6	67.8	0	0	0	0	114	N1021 F1022 Y1023 S1029	N1021-S1025 WeakPolarHBondContact O-CB 3.15Å; N1021-S1025 PolarHBondContact O-N 3.28Å; N1021-S1025 PolarHBondContact O-OG 3.38Å; F1022-S1025 WeakPolarHBondContact CA-OG 3.43Å; F1022-S1025 PolarHBondContact O-N 3.02Å; F1022-S1025 PolarHBondContact O-OG 2.98Å; Y1023-S1025 VanDerWaalsContact C-N 3.34Å; S1025-S1029 PolarHBondContact O-N 2.95Å; S1025-S1029 PolarHBondContact O-OG 2.97Å
1026	I	67.6	Low	58.3	Low	25 Å²	25	83.7 Å²	83.7	13%	0.128	43%	0.432	C	S	.	.	H	α-helix	trans	-75.6	-35.9	174.9	-67.9	173.4	0	0	0	112.1	L919 F1022 E1024 S1029 C1115	L919-I1026 HydrophobicContact CD2-CD1 3.98Å; F1022-I1026 HydrophobicContact CD1-CD1 3.73Å; F1022-I1026 HydrophobicContact CE1-CD1 3.08Å; F1022-I1026 HydrophobicContact CE1-CG1 4.2Å; F1022-I1026 HydrophobicContact CE2-CD1 4.37Å; F1022-I1026 HydrophobicContact CZ-CD1 3.47Å; F1022-I1026 VanDerWaalsContact CZ-CD1 3.47Å; F1022-I1026 HydrophobicContact CZ-CG1 4.38Å; F1022-I1026 PolarHBondContact O-N 3.25Å; E1024-I1026 PolarHBondContact O-N 3.45Å; I1026-S1029 PolarHBondContact O-OG 3.49Å; I1026-C1115 HydrophobicContact CD1-CB 4.16Å; I1026-C1115 VanDerWaalsContact CD1-SG 3.55Å
1027	N	61.5	Low	55.7	Low	72 Å²	72	92.3 Å²	92.3	39%	0.385	47%	0.47	S	S	.	.	H	α-helix	trans	-75.9	-32.8	177.8	-68.7	-52.8	0	0	0	111.5	Y1023 E1024 S1030	Y1023-N1027 PolarHBondContact O-N 3.26Å; Y1023-N1027 PolarHBondContact O-ND2 3.31Å; E1024-N1027 PolarHBondContact O-N 3.39Å; N1027-S1030 WeakPolarHBondContact O-CB 3.32Å; N1027-S1030 PolarHBondContact O-N 3.44Å
1028	Y	45.2	Very low	52.9	Low	158 Å²	158	96.8 Å²	96.8	62%	0.62	48%	0.484	S	S	*	.	H	α-helix	trans	-70.2	-32.2	178.1	-108.6	-84.4	0	0	0	113.1	E1024 S1030 F1031	E1024-Y1028 WeakPolarHBondContact O-CB 3.32Å; E1024-Y1028 PolarHBondContact O-N 3.42Å; Y1028-S1030 PolarHBondContact O-N 3.14Å; Y1028-F1031 PolarHBondContact O-N 2.96Å
1029	S	45.1	Very low	50.2	Low	20 Å²	20	106.2 Å²	106.2	14%	0.14	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.3	177.2	46.9	0	0	0	0	112.9	S1025 I1026 F1031	S1025-S1029 PolarHBondContact O-N 2.95Å; S1025-S1029 PolarHBondContact O-OG 2.97Å; I1026-S1029 PolarHBondContact O-OG 3.49Å; S1029-F1031 VanDerWaalsContact C-N 3.34Å
1030	S	39.9	Very low	47.3	Very low	96 Å²	96	106.5 Å²	106.5	67%	0.671	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21	168.9	-51	0	0	0	0	114	N1027 Y1028	N1027-S1030 WeakPolarHBondContact O-CB 3.32Å; N1027-S1030 PolarHBondContact O-N 3.44Å; Y1028-S1030 PolarHBondContact O-N 3.14Å
1031	F	31.6	Very low	44.5	Very low	117 Å²	117	109.1 Å²	109.1	51%	0.513	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-26.3	-175.7	-94	-85.2	0	0	0	114.3	Y1028 S1029 L1033 Y1104	Y1028-F1031 PolarHBondContact O-N 2.96Å; S1029-F1031 VanDerWaalsContact C-N 3.34Å; F1031-L1033 VanDerWaalsContact C-N 3.34Å; F1031-L1033 PolarHBondContact O-N 2.92Å; F1031-Y1104 AromaticContact CZ-CE2 3.86Å; F1031-Y1104 HydrophobicContact CZ-CE2 3.86Å; F1031-Y1104 AromaticContact CZ-CZ 3.81Å
1032	N	29.1	Very low	41.4	Very low	149 Å²	149	114.6 Å²	114.6	80%	0.797	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	8.1	-172.5	-106.3	-14.2	0	0	0	115.4	S1034	N1032-S1034 VanDerWaalsContact C-N 3.32Å
1033	L	31.2	Very low	38.5	Very low	111 Å²	111	121.5 Å²	121.5	58%	0.581	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	12.4	172.8	-124.2	76.6	0	0	0	113.7	A1011 F1031 N1035	A1011-L1033 HydrophobicContact CB-CD2 4.49Å; F1031-L1033 VanDerWaalsContact C-N 3.34Å; F1031-L1033 PolarHBondContact O-N 2.92Å; L1033-N1035 PolarHBondContact O-N 3.39Å; L1033-N1035 VanDerWaalsContact O-N 3.09Å
1034	S	29.2	Very low	35.8	Very low	94 Å²	94	127.9 Å²	127.9	66%	0.657	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	74	175.8	68.1	0	0	0	0	111.6	N1032	N1032-S1034 VanDerWaalsContact C-N 3.32Å
1035	N	28.9	Very low	33.3	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.6	7.1	154.9	-106.6	-10.1	0	0	0	114.9	L1033	L1033-N1035 PolarHBondContact O-N 3.39Å; L1033-N1035 VanDerWaalsContact O-N 3.09Å
1036	N	25.3	Very low	30.8	Very low	158 Å²	158	133.1 Å²	133.1	85%	0.845	67%	0.667	S	S	*	*	S	Bend	trans	-119.9	129.4	168.7	-80.6	-31.3	0	0	0	110.7
1037	K	25.6	Very low	28.5	Very low	185 Å²	185	137.1 Å²	137.1	80%	0.804	69%	0.692	S	S	*	*			trans	-59.1	144.1	-171.9	-62.8	165.7	173.6	175.3	0	112
1038	H	23.2	Very low	26.5	Very low	165 Å²	165	138.7 Å²	138.7	76%	0.764	71%	0.706	S	S	*	*			trans	58.7	95.9	162.7	-63.1	-73.9	0	0	0	117.7
1039	Y	23	Very low	25.2	Very low	234 Å²	234	138 Å²	138	92%	0.918	72%	0.719	S	S	*	*			trans	-142.6	124.4	134.1	-78.1	-71.3	0	0	0	109.4
1040	E	22.4	Very low	24.1	Very low	184 Å²	184	143.8 Å²	143.8	86%	0.86	75%	0.747	S	S	*	*			trans	-58.9	146.4	166.7	-74	173	146	0	0	109.7	L1042	E1040-L1042 PolarHBondContact O-N 3.22Å
1041	L	21	Very low	23.1	Very low	165 Å²	165	147.5 Å²	147.5	86%	0.864	75%	0.753	S	S	*	*			trans	-45.2	96.8	174.3	-165.2	85.2	0	0	0	110.5	E1043	L1041-E1043 PolarHBondContact O-N 3.32Å
1042	L	19.8	Very low	22.7	Very low	155 Å²	155	149.5 Å²	149.5	81%	0.812	77%	0.77	S	S	*	*			trans	-70.6	90	163.9	-83	166.6	0	0	0	106.9	E1040 F1044	E1040-L1042 PolarHBondContact O-N 3.22Å; L1042-F1044 PolarHBondContact O-N 3.47Å
1043	E	19.9	Very low	22.2	Very low	145 Å²	145	149.5 Å²	149.5	68%	0.678	77%	0.765	S	S	*	*			trans	-47.5	110.4	162.8	-159	169.9	-149.8	0	0	107.2	L1041 I1045	L1041-E1043 PolarHBondContact O-N 3.32Å; E1043-I1045 HydrophobicContact CB-CG1 4.29Å; E1043-I1045 HydrophobicContact CG-CG1 4.13Å; E1043-I1045 PolarHBondContact O-N 3.44Å
1044	F	19.4	Very low	21.7	Very low	174 Å²	174	150.7 Å²	150.7	76%	0.763	77%	0.772	S	S	*	*			trans	-66.5	82.5	168.3	-92.2	-90	0	0	0	107.3	L1042 C1046	L1042-F1044 PolarHBondContact O-N 3.47Å; F1044-C1046 PolarHBondContact O-N 3.28Å
1045	I	19.1	Very low	21.5	Very low	121 Å²	121	154 Å²	154	62%	0.621	78%	0.782	S	S	*	*			trans	-71.8	84.4	163.7	-59.7	175	0	0	0	105.4	E1043 T1047	E1043-I1045 HydrophobicContact CB-CG1 4.29Å; E1043-I1045 HydrophobicContact CG-CG1 4.13Å; E1043-I1045 PolarHBondContact O-N 3.44Å; I1045-T1047 HydrophobicContact CG2-CG2 3.85Å; I1045-T1047 PolarHBondContact O-N 3.01Å; I1045-T1047 VanDerWaalsContact O-N 3.11Å
1046	C	18.8	Very low	21.2	Very low	108 Å²	108	153.1 Å²	153.1	73%	0.73	78%	0.777	S	S	*	*			trans	-76.3	84.8	159.6	-74.5	0	0	0	0	107.2	F1044	F1044-C1046 PolarHBondContact O-N 3.28Å
1047	T	18.9	Very low	21.3	Very low	108 Å²	108	151.7 Å²	151.7	66%	0.663	77%	0.77	S	S	*	*			trans	-67.9	127	159.4	36.1	0	0	0	0	108	I1045 T1049	I1045-T1047 HydrophobicContact CG2-CG2 3.85Å; I1045-T1047 PolarHBondContact O-N 3.01Å; I1045-T1047 VanDerWaalsContact O-N 3.11Å; T1047-T1049 PolarHBondContact O-N 2.73Å
1048	P	20	Very low	21.3	Very low	105 Å²	105	149 Å²	149	68%	0.682	76%	0.764	S	S	*	*			trans	-69.2	120.5	178.9	27	-31.1	0	0	0	109.1	I1050	P1048-I1050 HydrophobicContact CB-CG1 4.48Å; P1048-I1050 PolarHBondContact O-N 2.93Å
1049	T	18.5	Very low	21.4	Very low	145 Å²	145	147.4 Å²	147.4	89%	0.89	76%	0.761	S	S	*	*			trans	-68.2	84.8	166.5	21.9	0	0	0	0	108.8	T1047	T1047-T1049 PolarHBondContact O-N 2.73Å
1050	I	22.1	Very low	21.5	Very low	140 Å²	140	142.8 Å²	142.8	72%	0.718	75%	0.752	S	S	*	*			trans	-81.4	115.5	162.3	-64.5	174.3	0	0	0	106.1	P1048 N1052	P1048-I1050 HydrophobicContact CB-CG1 4.48Å; P1048-I1050 PolarHBondContact O-N 2.93Å; I1050-N1052 PolarHBondContact O-N 3.18Å; I1050-N1052 VanDerWaalsContact O-N 3.09Å
1051	H	18.9	Very low	21.6	Very low	175 Å²	175	138.7 Å²	138.7	81%	0.81	74%	0.744	S	S	*	*			trans	-45.5	112.6	162	-92.1	-90.9	0	0	0	109.2
1052	N	22	Very low	21.7	Very low	159 Å²	159	138.6 Å²	138.6	85%	0.85	74%	0.743	S	S	*	*			trans	-123.8	107.8	158.3	-145.5	22.7	0	0	0	107.5	I1050	I1050-N1052 PolarHBondContact O-N 3.18Å; I1050-N1052 VanDerWaalsContact O-N 3.09Å
1053	E	19.8	Very low	22.1	Very low	149 Å²	149	138.6 Å²	138.6	70%	0.696	75%	0.745	S	S	*	*			trans	-64	151	170.4	-67.1	-179.7	148	0	0	110.4
1054	N	20.3	Very low	22.3	Very low	136 Å²	136	136.6 Å²	136.6	73%	0.727	75%	0.747	S	S	*	*			trans	71.4	100.2	155.2	-57.4	-25.2	0	0	0	117.9
1055	N	24.9	Very low	22.4	Very low	162 Å²	162	133.5 Å²	133.5	87%	0.866	75%	0.747	S	S	*	*				-169	134.5	103.4	-96.4	-25	0	0	0	112.6
1056	N	22.1	Very low	23	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	75%	0.752	S	S	*	*			trans	-35.7	137	159.7	-78	-23	0	0	0	113.5
1057	D	27.5	Very low	23.1	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	75%	0.754	S	S	*	*				171.3	118.2	99.5	-94.4	-42.3	0	0	0	111.3
1058	N	24.5	Very low	23.3	Very low	127 Å²	127	132.5 Å²	132.5	68%	0.679	75%	0.753	S	S	*	*				41	113.1	126.7	-66.8	-38.7	0	0	0	119.3
1059	N	25.8	Very low	23.4	Very low	132 Å²	132	132.8 Å²	132.8	71%	0.706	76%	0.758	S	S	*	*				146.9	135.4	105.4	-85.3	-29.8	0	0	0	115
1060	N	25.5	Very low	23.7	Very low	137 Å²	137	130.6 Å²	130.6	73%	0.733	75%	0.748	S	S	*	*			trans	73.4	106.4	143.2	-61.2	-15.9	0	0	0	117.7
1061	S	25.6	Very low	23.7	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	75%	0.754	S	S	*	*				107.2	103.8	77.3	66.8	0	0	0	0	108.7
1062	L	22.2	Very low	23.9	Very low	162 Å²	162	128.1 Å²	128.1	85%	0.848	75%	0.752	S	S	*	*				53.3	107.7	103.1	-81.9	156.4	0	0	0	114.1
1063	N	27.3	Very low	23.9	Very low	156 Å²	156	125.2 Å²	125.2	83%	0.834	75%	0.75	S	S	*	*			trans	-175.3	101.1	142.7	-91	-16	0	0	0	107.5
1064	S	24.8	Very low	24.1	Very low	103 Å²	103	122.2 Å²	122.2	72%	0.72	75%	0.751	S	S	*	*				80.2	97	91.9	70.4	0	0	0	0	113.6
1065	S	22.5	Very low	24.1	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	76%	0.761	S	S	*	*			trans	-55.1	-178	143.1	16.9	0	0	0	0	111.4
1066	P	30.4	Very low	24.1	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	76%	0.757	S	S	*	*			cis	-132.9	-154.4	-21.4	31.7	-8.9	0	0	0	110.5
1067	S	22.3	Very low	24	Very low	109 Å²	109	129.7 Å²	129.7	76%	0.762	76%	0.763	S	S	*	*			trans	83.8	142.3	161.5	81.6	0	0	0	0	114.6
1068	S	22.7	Very low	23.8	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	76%	0.762	S	S	*	*			cis	179.4	156.3	4.1	34.3	0	0	0	0	106.3
1069	S	22.4	Very low	23.7	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	77%	0.767	S	S	*	*			trans	63.7	148.2	150.7	65.5	0	0	0	0	116.7
1070	S	24.8	Very low	23.5	Very low	98 Å²	98	129 Å²	129	69%	0.685	77%	0.771	S	S	*	*			cis	-162.4	136.8	13.1	35.9	0	0	0	0	107.3
1071	T	21	Very low	23.6	Very low	137 Å²	137	130.4 Å²	130.4	84%	0.84	78%	0.778	S	S	*	*			trans	-36.7	128.9	153.3	-2.2	0	0	0	0	113.8
1072	T	24.2	Very low	23.4	Very low	127 Å²	127	131.5 Å²	131.5	78%	0.779	78%	0.781	S	S	*	*			trans	-175.8	105.9	143.8	10.8	0	0	0	0	107.3
1073	A	21.2	Very low	23.6	Very low	97 Å²	97	130.7 Å²	130.7	80%	0.802	78%	0.778	S	S	*	*				86.6	147.8	85.9	0	0	0	0	0	113.3
1074	A	24.8	Very low	23.4	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	77%	0.774	S	S	*	*			trans	87.4	84.3	168.2	0	0	0	0	0	117.7	I1076	A1074-I1076 PolarHBondContact O-N 3.12Å
1075	Y	18.8	Very low	23.4	Very low	238 Å²	238	135.2 Å²	135.2	93%	0.933	78%	0.775	S	S	*	*			trans	-44.2	115.2	137.9	-92.8	-105.3	0	0	0	110.6
1076	I	25.6	Very low	23.7	Very low	155 Å²	155	134 Å²	134	80%	0.795	78%	0.779	S	S	*	*			trans	-127.7	120.1	157.6	-65.2	-178.1	0	0	0	108.4	A1074	A1074-I1076 PolarHBondContact O-N 3.12Å
1077	K	20.7	Very low	23.4	Very low	203 Å²	203	137.8 Å²	137.8	88%	0.883	78%	0.784	S	S	*	*			trans	-100.9	114.4	178.8	-165.7	-172.4	-164.7	-179.9	0	105.4
1078	A	22.5	Very low	23.8	Very low	80 Å²	80	142.7 Å²	142.7	66%	0.661	79%	0.792	S	S	*	*			trans	-165.3	131.2	162.5	0	0	0	0	0	113.9
1079	N	23.3	Very low	23.9	Very low	146 Å²	146	146.8 Å²	146.8	78%	0.781	80%	0.8	S	S	*	*			trans	68.7	97.5	138	-64.8	-6.5	0	0	0	121.2
1080	N	20.9	Very low	23.9	Very low	149 Å²	149	147.7 Å²	147.7	80%	0.797	80%	0.796	S	S	*	*				20.1	110.6	109.1	-67	-12.7	0	0	0	116.4
1081	N	27.7	Very low	24	Very low	165 Å²	165	149 Å²	149	88%	0.882	80%	0.802	S	S	*	*			trans	-130.6	108.6	146.6	-97.1	-20	0	0	0	109.7
1082	T	21.9	Very low	24.2	Very low	123 Å²	123	150.9 Å²	150.9	76%	0.755	80%	0.799	S	S	*	*			trans	-61.8	131.3	160.5	44.4	0	0	0	0	110.2
1083	N	26.6	Very low	24.4	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	80%	0.797	S	S	*	*			trans	-160.6	110.9	150.4	-97.5	-21.5	0	0	0	112.9
1084	Y	22.2	Very low	24.5	Very low	195 Å²	195	153 Å²	153	77%	0.765	80%	0.798	S	S	*	*				57.4	114	129.4	-82.1	-93.7	0	0	0	122.5
1085	H	24.2	Very low	24.6	Very low	160 Å²	160	156.9 Å²	156.9	74%	0.741	80%	0.803	S	S	*	*			trans	49.2	101.1	131.2	-78.1	-41.8	0	0	0	120.7
1086	G	30.3	Very low	24.8	Very low	82 Å²	82	151 Å²	151	85%	0.845	79%	0.793	S	S	*	*			trans	-142	90.2	152.2	0	0	0	0	0	110.9	K1088	G1086-K1088 PolarHBondContact O-N 3.25Å
1087	K	24.2	Very low	24.8	Very low	195 Å²	195	150.2 Å²	150.2	85%	0.848	80%	0.795	S	S	*	*			trans	-73.3	111.4	170.1	-76.1	178	175.6	175.7	0	109.3
1088	K	29.4	Very low	25	Very low	211 Å²	211	145.6 Å²	145.6	92%	0.917	78%	0.784	S	S	*	*			trans	-137.6	129.2	152.6	-82.8	-168.9	177.7	178.2	0	110	G1086	G1086-K1088 PolarHBondContact O-N 3.25Å
1089	H	25.8	Very low	25	Very low	180 Å²	180	150.4 Å²	150.4	83%	0.833	79%	0.793	S	S	*	*			trans	-66.4	144.9	-177.7	-88.6	-88.1	0	0	0	113.4
1090	N	22.4	Very low	25	Very low	129 Å²	129	152.7 Å²	152.7	69%	0.69	79%	0.792	S	S	*	*			trans	42	132.6	147.9	-92.7	-20.2	0	0	0	119.7
1091	P	26.1	Very low	25	Very low	125 Å²	125	152 Å²	152	81%	0.812	79%	0.794	S	S	*	*				-136	158.6	50.8	30.7	-10.3	0	0	0	116.2
1092	K	25.1	Very low	24.8	Very low	178 Å²	178	151 Å²	151	77%	0.774	78%	0.781	S	S	*	*			trans	-54.3	134.1	177.3	-70.1	170.2	172.4	177.4	0	113.3
1093	P	28.1	Very low	24.6	Very low	114 Å²	114	154 Å²	154	74%	0.74	79%	0.787	S	S	*	*			trans	-84.1	115	164.3	31.1	-26.2	0	0	0	109.6	M1095	P1093-M1095 PolarHBondContact O-N 3.42Å
1094	N	24.8	Very low	24.4	Very low	154 Å²	154	155.8 Å²	155.8	82%	0.824	78%	0.784	S	S	*	*			trans	-69	98.3	164.3	-89.1	-13.9	0	0	0	108.5	T1096	N1094-T1096 PolarHBondContact O-N 3.46Å; N1094-T1096 VanDerWaalsContact O-N 3.16Å
1095	M	25.7	Very low	24.3	Very low	168 Å²	168	155.3 Å²	155.3	83%	0.828	79%	0.786	S	S	*	*			trans	-71.4	98.7	165.5	-71.1	-107.4	84.8	0	0	108.3	P1093	P1093-M1095 PolarHBondContact O-N 3.42Å
1096	T	24.4	Very low	24.3	Very low	115 Å²	115	153.8 Å²	153.8	71%	0.706	78%	0.782	S	S	*	*			trans	-103.4	95.9	160.8	29.4	0	0	0	0	107.2	N1094 T1098	N1094-T1096 PolarHBondContact O-N 3.46Å; N1094-T1096 VanDerWaalsContact O-N 3.16Å; T1096-T1098 PolarHBondContact O-N 2.7Å; T1096-T1098 PolarHBondContact O-OG1 2.95Å
1097	T	24.1	Very low	24	Very low	139 Å²	139	155.6 Å²	155.6	85%	0.853	78%	0.778	S	S	*	*			trans	-56.7	97.5	163.6	18.8	0	0	0	0	108.1
1098	T	24.4	Very low	23.9	Very low	105 Å²	105	152.2 Å²	152.2	64%	0.644	78%	0.778	S	S	*	*			trans	-100.1	100.7	172.7	-37.6	0	0	0	0	106.3	T1096 Y1100	T1096-T1098 PolarHBondContact O-N 2.7Å; T1096-T1098 PolarHBondContact O-OG1 2.95Å; T1098-Y1100 PolarHBondContact O-N 3.49Å
1099	E	23.5	Very low	23.8	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	78%	0.775	S	S	*	*			trans	-61.9	114.6	172.3	-78.3	179.3	149.9	0	0	109.2	T1101	E1099-T1101 PolarHBondContact O-N 2.94Å; E1099-T1101 VanDerWaalsContact O-N 3.13Å
1100	Y	23.7	Very low	23.9	Very low	193 Å²	193	146.8 Å²	146.8	76%	0.757	76%	0.763	S	S	*	*			trans	-76.6	93.1	177.3	-87	-88	0	0	0	110.3	T1098 K1102	T1098-Y1100 PolarHBondContact O-N 3.49Å; Y1100-K1102 VanDerWaalsContact C-N 3.27Å; Y1100-K1102 HydrophobicContact CD1-CD 4.37Å; Y1100-K1102 HydrophobicContact CD1-CG 3.98Å; Y1100-K1102 PolarHBondContact O-N 3.39Å; Y1100-K1102 VanDerWaalsContact O-N 3.12Å
1101	T	20.8	Very low	24.4	Very low	136 Å²	136	145.9 Å²	145.9	83%	0.834	77%	0.767	S	S	*	*			trans	-79.5	79.2	158.2	-26.5	0	0	0	0	108.1	E1099 Q1103	E1099-T1101 PolarHBondContact O-N 2.94Å; E1099-T1101 VanDerWaalsContact O-N 3.13Å; T1101-Q1103 PolarHBondContact O-N 3.16Å; T1101-Q1103 VanDerWaalsContact O-N 3.08Å
1102	K	22.2	Very low	25	Very low	143 Å²	143	146.9 Å²	146.9	62%	0.622	77%	0.765	S	S	*	*			trans	-72.1	101.8	176.9	-80.8	-180	179.8	177.3	0	109.5	Y1100 Y1104	Y1100-K1102 VanDerWaalsContact C-N 3.27Å; Y1100-K1102 HydrophobicContact CD1-CD 4.37Å; Y1100-K1102 HydrophobicContact CD1-CG 3.98Å; Y1100-K1102 PolarHBondContact O-N 3.39Å; Y1100-K1102 VanDerWaalsContact O-N 3.12Å; K1102-Y1104 WeakPolarHBondContact O-CD2 3.46Å; K1102-Y1104 PolarHBondContact O-N 2.93Å
1103	Q	19.4	Very low	26.7	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.874	75%	0.746	S	S	*	*			trans	-58.5	113.4	158.4	-78.7	-178.2	-19.3	0	0	108.6	T1101 K1105	T1101-Q1103 PolarHBondContact O-N 3.16Å; T1101-Q1103 VanDerWaalsContact O-N 3.08Å; Q1103-K1105 PolarHBondContact O-N 2.95Å
1104	Y	22.3	Very low	28.8	Very low	180 Å²	180	141.2 Å²	141.2	71%	0.706	73%	0.73	S	S	*	*			trans	-70.9	92.6	175.3	-67.3	-84.1	0	0	0	109.4	F1031 K1102 L1106	F1031-Y1104 AromaticContact CZ-CE2 3.86Å; F1031-Y1104 HydrophobicContact CZ-CE2 3.86Å; F1031-Y1104 AromaticContact CZ-CZ 3.81Å; K1102-Y1104 WeakPolarHBondContact O-CD2 3.46Å; K1102-Y1104 PolarHBondContact O-N 2.93Å; Y1104-L1106 PolarHBondContact O-N 3.05Å
1105	K	20.2	Very low	31.1	Very low	185 Å²	185	134.3 Å²	134.3	80%	0.804	69%	0.694	S	S	*	*			trans	-78.5	108.1	171	-149.9	174.9	-173	178.8	0	107.5	Q1103 T1107	Q1103-K1105 PolarHBondContact O-N 2.95Å; K1105-T1107 PolarHBondContact O-N 3.39Å
1106	L	22.9	Very low	33.7	Very low	128 Å²	128	129.2 Å²	129.2	67%	0.67	67%	0.672	S	S	*	*			trans	-49.4	113.6	173.4	-105.1	85.6	0	0	0	109.2	Y1104 S1108	Y1104-L1106 PolarHBondContact O-N 3.05Å; L1106-S1108 PolarHBondContact O-N 3.3Å
1107	T	24.1	Very low	36.5	Very low	121 Å²	121	123.7 Å²	123.7	74%	0.742	64%	0.638	S	S	*	*			trans	-75.4	116.7	172.7	45.9	0	0	0	0	108	K1105 K1109	K1105-T1107 PolarHBondContact O-N 3.39Å; T1107-K1109 PolarHBondContact O-N 3.36Å
1108	S	23.6	Very low	39.2	Very low	123 Å²	123	118.9 Å²	118.9	86%	0.86	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	35.9	-174.9	65.6	0	0	0	0	114.2	L1106	L1106-S1108 PolarHBondContact O-N 3.3Å
1109	K	26	Very low	41.8	Very low	194 Å²	194	113.9 Å²	113.9	84%	0.843	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	2.3	-167.5	-81.2	-166.7	174.4	-172.6	0	116.9	T1107	T1107-K1109 PolarHBondContact O-N 3.36Å
1110	S	28.2	Very low	44.2	Very low	83 Å²	83	109.7 Å²	109.7	58%	0.58	55%	0.552	S	S	*	*			trans	-111.3	102	167.2	60.6	0	0	0	0	110.4	N1112	S1110-N1112 VanDerWaalsContact C-N 3.29Å; S1110-N1112 PolarHBondContact O-N 3.22Å
1111	S	32.6	Very low	46.1	Very low	111 Å²	111	104.4 Å²	104.4	78%	0.776	54%	0.543	S	S	*	.			trans	-80.8	13.9	-164.1	46.6	0	0	0	0	115.9
1112	N	40	Very low	47.4	Very low	145 Å²	145	102.8 Å²	102.8	78%	0.775	53%	0.528	S	S	*	.			trans	-153.5	87.3	173	-87	-36	0	0	0	109.8	S1110 H1114	S1110-N1112 VanDerWaalsContact C-N 3.29Å; S1110-N1112 PolarHBondContact O-N 3.22Å; N1112-H1114 PolarHBondContact O-N 3.12Å; N1112-H1114 VanDerWaalsContact O-N 3.16Å
1113	K	60.7	Low	48.7	Very low	85 Å²	85	100.7 Å²	100.7	37%	0.37	52%	0.524	S	S	.	.			trans	-78.9	100.1	167.6	-67.3	-171.1	177	-171.9	0	106.9	L919 S920	L919-K1113 HydrophobicContact CD1-CB 3.38Å; L919-K1113 VanDerWaalsContact CD1-O 3.22Å; L919-K1113 WeakPolarHBondContact CD1-O 3.44Å; S920-K1113 PolarHBondContact N-O 3.28Å
1114	H	70.3	Confident	50.3	Low	88 Å²	88	95.9 Å²	95.9	41%	0.407	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.7	169.5	-171.5	63	0	0	0	109.2	S920 T922 N1112	S920-H1114 VanDerWaalsContact O-CA 3.26Å; S920-H1114 WeakPolarHBondContact O-CA 3.32Å; S920-H1114 PolarHBondContact O-ND1 2.86Å; S920-H1114 VanDerWaalsContact O-ND1 3.11Å; S920-H1114 PolarHBondContact OG-ND1 3.01Å; T922-H1114 PolarHBondContact OG1-CE1 2.95Å; T922-H1114 PolarHBondContact OG1-NE2 3.39Å; N1112-H1114 PolarHBondContact O-N 3.12Å; N1112-H1114 VanDerWaalsContact O-N 3.16Å
1115	C	74.8	Confident	52	Low	10 Å²	10	90.9 Å²	90.9	7%	0.068	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135	-179.5	159.4	0	0	0	0	110.4	S920 I921 T922 H1006 I1026 V1117	S920-C1115 PolarHBondContact O-N 2.86Å; I921-C1115 CarbonylContact C-O 3.55Å; I921-C1115 WeakPolarHBondContact CA-O 3.39Å; I921-C1115 HydrophobicContact CG2-CB 4.14Å; T922-C1115 PolarHBondContact N-O 2.84Å; H1006-C1115 PolarHBondContact CD2-SG 3.26Å; H1006-C1115 PolarHBondContact NE2-SG 3.01Å; I1026-C1115 HydrophobicContact CD1-CB 4.16Å; I1026-C1115 VanDerWaalsContact CD1-SG 3.55Å; C1115-V1117 VanDerWaalsContact SG-CG2 3.57Å
1116	T	79.2	Confident	54	Low	60 Å²	60	85.1 Å²	85.1	37%	0.368	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.7	175.4	40.4	0	0	0	0	110.2	T922 V1007	T922-T1116 HydrophobicContact CG2-CG2 4.41Å; T922-T1116 CarbonylContact O-C 3.57Å; T922-T1116 WeakPolarHBondContact O-CA 3.18Å; V1007-T1116 PolarHBondContact N-O 3.48Å; V1007-T1116 PolarHBondContact O-OG1 2.91Å; V1007-T1116 VanDerWaalsContact O-OG1 3.13Å
1117	V	83.1	Confident	56	Low	0 Å²	0	82.2 Å²	82.2	0%	0	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.2	-178.9	-155.3	0	0	0	0	109.5	T922 V923 S924 L1004 I1005 L1016 F1022 C1115	T922-V1117 PolarHBondContact O-N 3.3Å; V923-V1117 CarbonylContact C-O 3.53Å; V923-V1117 VanDerWaalsContact CA-O 3.24Å; V923-V1117 WeakPolarHBondContact CA-O 3.49Å; S924-V1117 PolarHBondContact N-O 3.45Å; L1004-V1117 HydrophobicContact CB-CG1 4.25Å; L1004-V1117 HydrophobicContact CD1-CG1 4.49Å; L1004-V1117 HydrophobicContact CD2-CB 4.28Å; L1004-V1117 HydrophobicContact CD2-CG1 3.56Å; L1004-V1117 HydrophobicContact CG-CB 4.36Å; L1004-V1117 HydrophobicContact CG-CG1 3.45Å; L1004-V1117 VanDerWaalsContact CG-CG1 3.45Å; I1005-V1117 VanDerWaalsContact C-CG1 3.41Å; I1005-V1117 CarbonylContact O-C 3.54Å; I1005-V1117 WeakPolarHBondContact O-CA 3.18Å; I1005-V1117 WeakPolarHBondContact O-CG1 3.46Å; L1016-V1117 HydrophobicContact CD1-CG1 4.27Å; F1022-V1117 HydrophobicContact CZ-CG2 4.08Å; C1115-V1117 VanDerWaalsContact SG-CG2 3.57Å
1118	E	81.7	Confident	58.3	Low	37 Å²	37	79.4 Å²	79.4	17%	0.173	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.1	176.7	-76	-179.6	168	0	0	110.4	S924 H926 L1004 I1005 V1007 W1120	S924-E1118 CarbonylContact O-C 3.52Å; S924-E1118 WeakPolarHBondContact O-CA 3.47Å; S924-E1118 VanDerWaalsContact OG-CG 3.24Å; S924-E1118 WeakPolarHBondContact OG-CG 3.4Å; H926-E1118 IonicContact CD2-OE1 2.77Å; H926-E1118 IonicContact CD2-OE2 3.94Å; H926-E1118 IonicContact CE1-OE1 2.8Å; H926-E1118 IonicContact CE1-OE2 3.24Å; H926-E1118 IonicContact NE2-OE1 3.68Å; H926-E1118 PolarHBondContact NE2-OE1 3.14Å; H926-E1118 IonicContact NE2-OE2 3.1Å; H926-E1118 PolarHBondContact NE2-OE2 3.17Å; L1004-E1118 CarbonylContact C-O 3.54Å; I1005-E1118 HydrophobicContact CB-CB 4.41Å; I1005-E1118 PolarHBondContact N-O 3.03Å; I1005-E1118 PolarHBondContact O-N 3.05Å; V1007-E1118 HydrophobicContact CG2-CB 4.06Å; V1007-E1118 HydrophobicContact CG2-CG 3.49Å; V1007-E1118 VanDerWaalsContact CG2-CG 3.49Å; E1118-W1120 PolarHBondContact OE2-NE1 3.42Å
1119	L	79	Confident	61	Low	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.7	177	-161	146.5	0	0	0	107.7	V923 S924 L925 H926 L985 A988 L989 Y1002 L1004	V923-L1119 HydrophobicContact CG1-CB 3.94Å; V923-L1119 HydrophobicContact CG1-CD1 4.13Å; S924-L1119 PolarHBondContact O-N 2.98Å; L925-L1119 HydrophobicContact CD1-CB 4.33Å; L925-L1119 HydrophobicContact CD1-CD2 3.37Å; L925-L1119 HydrophobicContact CD1-CG 4.44Å; H926-L1119 PolarHBondContact N-O 3.32Å; L985-L1119 HydrophobicContact CD2-CD1 3.58Å; L985-L1119 HydrophobicContact CD2-CG 3.86Å; A988-L1119 HydrophobicContact CB-CD1 3.86Å; L989-L1119 HydrophobicContact CD2-CD1 4.38Å; L989-L1119 HydrophobicContact CD2-CD2 3.84Å; L989-L1119 HydrophobicContact CG-CD1 4.37Å; Y1002-L1119 HydrophobicContact CD1-CD2 3.08Å; Y1002-L1119 HydrophobicContact CD1-CG 4.24Å; Y1002-L1119 HydrophobicContact CD2-CD2 4.44Å; Y1002-L1119 HydrophobicContact CE1-CD2 3.58Å; Y1002-L1119 HydrophobicContact CG-CD2 3.55Å; L1004-L1119 HydrophobicContact CD1-CB 4.32Å; L1004-L1119 HydrophobicContact CD1-CD1 3.78Å; L1004-L1119 HydrophobicContact CD1-CG 4.13Å
1120	W	72.9	Confident	63.9	Low	94 Å²	94	66.3 Å²	66.3	36%	0.356	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.7	-176.9	-78.9	76.1	0	0	0	109.8	H926 T928 Y1002 D1003 I1005 E1118	H926-W1120 HydrophobicContact CB-CD2 3.94Å; H926-W1120 HydrophobicContact CB-CE3 4.33Å; H926-W1120 HydrophobicContact CB-CG 4.27Å; H926-W1120 HydrophobicContact CB-CZ2 4.23Å; H926-W1120 AromaticContact CD2-NE1 3.79Å; H926-W1120 AromaticContact CE1-CZ2 3.85Å; H926-W1120 AromaticContact CG-CE2 3.79Å; H926-W1120 AromaticContact CG-CZ2 3.89Å; H926-W1120 AromaticContact CG-NE1 3.91Å; H926-W1120 AromaticContact ND1-CE2 4Å; H926-W1120 AromaticContact ND1-CZ2 3.59Å; T928-W1120 HydrophobicContact CG2-CZ3 4.44Å; Y1002-W1120 CarbonylContact C-O 3.47Å; Y1002-W1120 VanDerWaalsContact CA-O 3.28Å; Y1002-W1120 WeakPolarHBondContact CA-O 3.36Å; D1003-W1120 PolarHBondContact N-O 3.47Å; D1003-W1120 PolarHBondContact O-N 3.48Å; I1005-W1120 HydrophobicContact CD1-CB 3.99Å; I1005-W1120 VanDerWaalsContact CD1-CD1 3.4Å; I1005-W1120 HydrophobicContact CD1-CD2 4.32Å; I1005-W1120 HydrophobicContact CD1-CG 3.63Å; I1005-W1120 HydrophobicContact CG1-CG 4.35Å; E1118-W1120 PolarHBondContact OE2-NE1 3.42Å
1121	S	64.2	Low	67.1	Low	82 Å²	82	64.7 Å²	64.7	57%	0.573	35%	0.352	S	S	*	.			trans	-82.6	0	175.4	86.1	0	0	0	0	112.9	N1001 Y1002	N1001-S1121 CarbonylContact O-C 3.54Å; N1001-S1121 WeakPolarHBondContact O-CA 3.34Å; Y1002-S1121 VanDerWaalsContact CD1-CA 3.47Å

Retrieved 1,121 of 1,121 residues in 1655.7 ms (Link to these results)

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