A0A5K4FFG0_SCHMA Loading...

GDNF family receptor alpha-like AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FFG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 aa.

						>A0A5K4FFG0_SCHMA|A0A5K4FFG0
MCSFFNSYLYFISLIHLPCYLTQTDWDIRASVIFPSPPSSTSTTPIPVVPHKSSKHNVGNEMKNVVTESSRTNILQSVDEVIEKQEIRIDCLEALHNCESFSGICKVDVEIFKTFCGDWTDERSLMGCQRKYLRECQSALKTMNLGRPGLKYCICDSRSSRSIDDLTKCNLLRKNLNNHPCLAEPPIFLRELHTSGNFRHEPKKELKPESKATQSANNMNTNMKRLNTTSLLTEPVVSSIPMTTASPITMNTLSSMGSSNIELVDQHLNKNKENTSCLDLLENCTKLPACAIALNKYRALCTIRTCDKLKSQCLEASKKFLQFKTHMNCDCKSEINEGRYRRCLDYKESVIDNKCVEISSNQQVNSVNGNEMEYSFVNMNLEKNLVTIPVSPDYHTAVQNNSKNLENGTLPVLYQSHFITSNISGQTLNELTDIETIVSETWDNNMECYSIFYECLHEPVCLQHFVNLRYGCAQMNRQFNACRNPNQCINSLERFYKETNSLVNKAISCTCTVNDLDCQQMQNVFVPRCIRQSYGLRMDCYQAWVKCQNDPVCRTSYDLLVSECQTSNGLCHLNPSACLNSYRRLWSGPWAGGCSCEVTQPKLNPSNNVLTGCSEFGRILTQPPCVEITPKTHQPENPALTHKPLYCTIMKKLQIPFEDFVRMPSLRDYQEEGQFARNCSLLCNCHVGCRYEMCYGTEIKIWHAYSLSNRTSQIVTFPTRIQTINIYQPNLSLGCLYLPKFNRHCTCYANDHVVCNVFSLKNQYFVTGYKLLIDFDVKMYSTTIDLLADDKSLSEYEFYGSIVQLEFLLTNFLAHLFGQESCRLILSAYQTIDDKHFWSKQHSSNSNSNKLLKRLEYLLAINLDTSFPTENKTSVFMH
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	48.2	Very low	49	Very low	195 Å²	195	134.5 Å²	134.5	96%	0.961	67%	0.665	S	S	*	*				0	-75.4	0	-68.6	-49.9	177	0	0	113	S3 F4	M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.26Å; M1-F4 PolarHBondContact O-N 3Å
2	C	43.1	Very low	48.9	Very low	108 Å²	108	129.6 Å²	129.6	73%	0.73	64%	0.642	S	S	*	*	H	α-helix	trans	-50.8	-36.6	-170.6	-54	0	0	0	0	115.9	F4 F5 N6	C2-F4 VanDerWaalsContact C-N 3.31Å; C2-F4 PolarHBondContact O-N 2.74Å; C2-F5 PolarHBondContact O-N 2.84Å; C2-N6 PolarHBondContact O-N 3.26Å
3	S	50.1	Low	48.4	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	63%	0.628	S	S	*	*	H	α-helix	trans	-64.9	-29.3	178	-155.7	0	0	0	0	114.3	M1 S7	M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.26Å; S3-S7 PolarHBondContact O-N 3.35Å
4	F	50.8	Low	47.9	Very low	166 Å²	166	123.1 Å²	123.1	73%	0.728	62%	0.621	S	S	*	*	H	α-helix	trans	-73.3	-36.9	174.8	-75.9	-84.3	0	0	0	111.3	M1 C2 N6 S7 Y8	M1-F4 PolarHBondContact O-N 3Å; C2-F4 VanDerWaalsContact C-N 3.31Å; C2-F4 PolarHBondContact O-N 2.74Å; F4-N6 PolarHBondContact O-N 2.83Å; F4-S7 PolarHBondContact O-N 2.9Å; F4-Y8 WeakPolarHBondContact O-CB 3.41Å; F4-Y8 PolarHBondContact O-N 3.37Å
5	F	48.6	Very low	47.6	Very low	154 Å²	154	123.5 Å²	123.5	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-62	-42.2	176.5	-111.5	-89.9	0	0	0	112.5	C2 Y8 L9	C2-F5 PolarHBondContact O-N 2.84Å; F5-Y8 PolarHBondContact O-N 3.28Å; F5-L9 WeakPolarHBondContact O-CB 3.46Å; F5-L9 WeakPolarHBondContact O-CG 3.48Å; F5-L9 PolarHBondContact O-N 3.04Å
6	N	50.6	Low	47	Very low	115 Å²	115	125.4 Å²	125.4	62%	0.615	63%	0.63	S	S	*	*	H	α-helix	trans	-65.2	-38.2	173.9	-86.3	-8.6	0	0	0	112.4	C2 F4 Y8 L9 Y10	C2-N6 PolarHBondContact O-N 3.26Å; F4-N6 PolarHBondContact O-N 2.83Å; N6-Y8 VanDerWaalsContact C-N 3.34Å; N6-L9 PolarHBondContact O-N 3.13Å; N6-Y10 WeakPolarHBondContact O-CB 3.41Å; N6-Y10 PolarHBondContact O-N 3.02Å
7	S	55.3	Low	46.1	Very low	64 Å²	64	125.1 Å²	125.1	45%	0.448	63%	0.63	S	S	.	*	H	α-helix	trans	-65.1	-39	175	-156.5	0	0	0	0	111.9	S3 F4 Y10 F11	S3-S7 PolarHBondContact O-N 3.35Å; F4-S7 PolarHBondContact O-N 2.9Å; S7-Y10 PolarHBondContact O-N 2.83Å; S7-F11 WeakPolarHBondContact O-CD2 3.47Å; S7-F11 PolarHBondContact O-N 3.1Å
8	Y	48.5	Very low	45.4	Very low	172 Å²	172	123.4 Å²	123.4	68%	0.675	63%	0.629	S	S	*	*	H	α-helix	trans	-67	-41.4	177.1	-151.2	-100	0	0	0	111.9	F4 F5 N6 F11 I12	F4-Y8 WeakPolarHBondContact O-CB 3.41Å; F4-Y8 PolarHBondContact O-N 3.37Å; F5-Y8 PolarHBondContact O-N 3.28Å; N6-Y8 VanDerWaalsContact C-N 3.34Å; Y8-F11 PolarHBondContact O-N 2.82Å; Y8-I12 HydrophobicContact CD1-CD1 3.68Å; Y8-I12 HydrophobicContact CD1-CG1 4.42Å; Y8-I12 HydrophobicContact CE1-CD1 3.86Å; Y8-I12 WeakPolarHBondContact O-CG1 3.33Å; Y8-I12 PolarHBondContact O-N 2.77Å
9	L	50.6	Low	44.5	Very low	99 Å²	99	123.6 Å²	123.6	52%	0.518	64%	0.641	S	S	.	*	H	α-helix	trans	-63.7	-39.2	173.1	-73.7	168.5	0	0	0	112.1	F5 N6 I12 S13	F5-L9 WeakPolarHBondContact O-CB 3.46Å; F5-L9 WeakPolarHBondContact O-CG 3.48Å; F5-L9 PolarHBondContact O-N 3.04Å; N6-L9 PolarHBondContact O-N 3.13Å; L9-I12 PolarHBondContact O-N 3.22Å; L9-S13 PolarHBondContact O-N 2.86Å; L9-S13 PolarHBondContact O-OG 3.09Å; L9-S13 VanDerWaalsContact O-OG 3.14Å
10	Y	46.9	Very low	43.7	Very low	168 Å²	168	128 Å²	128	66%	0.659	65%	0.65	S	S	*	*	H	α-helix	trans	-63.6	-41.1	176.1	-141.1	-90.3	0	0	0	111.8	N6 S7 S13 L14	N6-Y10 WeakPolarHBondContact O-CB 3.41Å; N6-Y10 PolarHBondContact O-N 3.02Å; S7-Y10 PolarHBondContact O-N 2.83Å; Y10-S13 WeakPolarHBondContact CA-OG 3.45Å; Y10-S13 PolarHBondContact O-N 3.28Å; Y10-S13 PolarHBondContact O-OG 3.18Å; Y10-L14 HydrophobicContact CD1-CD1 3.99Å; Y10-L14 HydrophobicContact CE1-CD1 4.43Å; Y10-L14 PolarHBondContact O-N 2.66Å
11	F	46.1	Very low	43.1	Very low	137 Å²	137	129.7 Å²	129.7	60%	0.601	66%	0.66	S	S	*	*	H	α-helix	trans	-62.5	-44.2	172.1	-97.3	-91.6	0	0	0	112.5	S7 Y8 S13 L14 I15	S7-F11 WeakPolarHBondContact O-CD2 3.47Å; S7-F11 PolarHBondContact O-N 3.1Å; Y8-F11 PolarHBondContact O-N 2.82Å; F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S13 PolarHBondContact O-N 2.73Å; F11-L14 PolarHBondContact O-N 2.79Å; F11-L14 VanDerWaalsContact O-N 3.15Å; F11-I15 WeakPolarHBondContact O-CG1 3.29Å; F11-I15 PolarHBondContact O-N 2.88Å
12	I	48.7	Very low	42.2	Very low	76 Å²	76	125.9 Å²	125.9	39%	0.39	65%	0.648	S	S	.	*	H	α-helix	trans	-62.5	-38.3	176.3	-69.9	168.6	0	0	0	111.5	Y8 L9 I15 H16	Y8-I12 HydrophobicContact CD1-CD1 3.68Å; Y8-I12 HydrophobicContact CD1-CG1 4.42Å; Y8-I12 HydrophobicContact CE1-CD1 3.86Å; Y8-I12 WeakPolarHBondContact O-CG1 3.33Å; Y8-I12 PolarHBondContact O-N 2.77Å; L9-I12 PolarHBondContact O-N 3.22Å; I12-I15 PolarHBondContact O-N 3.37Å; I12-H16 PolarHBondContact O-N 2.89Å
13	S	42.4	Very low	41.6	Very low	65 Å²	65	128.6 Å²	128.6	46%	0.455	65%	0.65	S	S	.	*	H	α-helix	trans	-70	-28.5	174.4	51.7	0	0	0	0	113.9	L9 Y10 F11 H16	L9-S13 PolarHBondContact O-N 2.86Å; L9-S13 PolarHBondContact O-OG 3.09Å; L9-S13 VanDerWaalsContact O-OG 3.14Å; Y10-S13 WeakPolarHBondContact CA-OG 3.45Å; Y10-S13 PolarHBondContact O-N 3.28Å; Y10-S13 PolarHBondContact O-OG 3.18Å; F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S13 PolarHBondContact O-N 2.73Å; S13-H16 PolarHBondContact O-N 2.71Å
14	L	40.6	Very low	40.6	Very low	103 Å²	103	129 Å²	129	54%	0.539	65%	0.649	S	S	.	*	H	α-helix	trans	-73.3	-31.2	173	-79.9	163.6	0	0	0	112.5	Y10 F11 H16	Y10-L14 HydrophobicContact CD1-CD1 3.99Å; Y10-L14 HydrophobicContact CE1-CD1 4.43Å; Y10-L14 PolarHBondContact O-N 2.66Å; F11-L14 PolarHBondContact O-N 2.79Å; F11-L14 VanDerWaalsContact O-N 3.15Å; L14-H16 PolarHBondContact O-N 2.85Å
15	I	44	Very low	39.6	Very low	130 Å²	130	125.6 Å²	125.6	67%	0.667	64%	0.638	S	S	*	*	H	α-helix	trans	-70.8	-15.9	173	-67.5	163.2	0	0	0	111.8	F11 I12	F11-I15 WeakPolarHBondContact O-CG1 3.29Å; F11-I15 PolarHBondContact O-N 2.88Å; I12-I15 PolarHBondContact O-N 3.37Å
16	H	37.5	Very low	38.6	Very low	154 Å²	154	124.7 Å²	124.7	71%	0.713	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	9.1	179.9	-98.1	-63.1	0	0	0	115.7	I12 S13 L14	I12-H16 PolarHBondContact O-N 2.89Å; S13-H16 PolarHBondContact O-N 2.71Å; L14-H16 PolarHBondContact O-N 2.85Å
17	L	32.6	Very low	37.8	Very low	120 Å²	120	122.1 Å²	122.1	63%	0.628	62%	0.616	S	S	*	*	S	Bend	trans	-66.2	138	163.2	-106.1	68.7	0	0	0	110	C19	L17-C19 PolarHBondContact O-N 2.9Å
18	P	32.7	Very low	36.8	Very low	95 Å²	95	125 Å²	125	62%	0.617	63%	0.625	S	S	*	*			trans	-71.6	121.3	-175.8	28.2	-34.3	0	0	0	111.3	Y20	P18-Y20 HydrophobicContact CB-CD2 3.85Å; P18-Y20 HydrophobicContact CB-CE2 4.05Å; P18-Y20 HydrophobicContact CG-CD2 4Å; P18-Y20 HydrophobicContact CG-CE2 4.21Å; P18-Y20 PolarHBondContact O-N 2.8Å
19	C	29	Very low	36.2	Very low	126 Å²	126	121.8 Å²	121.8	85%	0.851	61%	0.612	S	S	*	*			trans	-70.8	63.4	174.4	-70.6	0	0	0	0	113.1	L17 L21	L17-C19 PolarHBondContact O-N 2.9Å; C19-L21 PolarHBondContact O-N 2.69Å
20	Y	28.6	Very low	35.3	Very low	212 Å²	212	120.4 Å²	120.4	83%	0.831	62%	0.615	S	S	*	*			trans	-68.5	71.1	162.2	-82.2	-81.3	0	0	0	110.4	P18	P18-Y20 HydrophobicContact CB-CD2 3.85Å; P18-Y20 HydrophobicContact CB-CE2 4.05Å; P18-Y20 HydrophobicContact CG-CD2 4Å; P18-Y20 HydrophobicContact CG-CE2 4.21Å; P18-Y20 PolarHBondContact O-N 2.8Å
21	L	29.6	Very low	34.6	Very low	163 Å²	163	116.1 Å²	116.1	85%	0.853	61%	0.609	S	S	*	*			trans	-165.7	56	173.5	-113.6	168.1	0	0	0	115.1	C19	C19-L21 PolarHBondContact O-N 2.69Å
22	T	30.2	Very low	34	Very low	115 Å²	115	114.2 Å²	114.2	71%	0.706	61%	0.609	S	S	*	*			trans	-133.3	30.9	168.6	53.9	0	0	0	0	114.5	T24	T22-T24 PolarHBondContact O-N 3.2Å
23	Q	30.3	Very low	33.4	Very low	166 Å²	166	118.3 Å²	118.3	78%	0.776	63%	0.63	S	S	*	*			trans	-85.5	86.8	166.2	-172.3	167.1	0.2	0	0	110.1	D25	Q23-D25 HydrophobicContact CG-CB 4.41Å; Q23-D25 PolarHBondContact O-N 2.83Å
24	T	28.7	Very low	32.9	Very low	110 Å²	110	123.7 Å²	123.7	68%	0.675	65%	0.645	S	S	*	*			trans	-74.5	67.1	172.9	56.7	0	0	0	0	111	T22 W26	T22-T24 PolarHBondContact O-N 3.2Å; T24-W26 VanDerWaalsContact O-CD1 3.27Å
25	D	30.3	Very low	32.5	Very low	94 Å²	94	124.4 Å²	124.4	50%	0.503	66%	0.656	S	S	.	*			trans	-75.1	136.7	168.2	-161.6	-2.7	0	0	0	109.1	Q23 D27 K141	Q23-D25 HydrophobicContact CG-CB 4.41Å; Q23-D25 PolarHBondContact O-N 2.83Å; D25-D27 PolarHBondContact O-N 2.9Å; D25-K141 VanDerWaalsContact CG-NZ 3.3Å; D25-K141 IonicContact OD1-NZ 2.74Å; D25-K141 PolarHBondContact OD1-NZ 2.84Å; D25-K141 VanDerWaalsContact OD1-NZ 3.17Å; D25-K141 IonicContact OD2-NZ 3.07Å; D25-K141 PolarHBondContact OD2-NZ 3.02Å
26	W	28.4	Very low	32	Very low	135 Å²	135	123.4 Å²	123.4	51%	0.511	66%	0.66	S	S	.	*	S	Bend	trans	-90.1	68.1	-166	-81.7	57.1	0	0	0	111.6	T24 T302 R304	T24-W26 VanDerWaalsContact O-CD1 3.27Å; W26-T302 HydrophobicContact CZ3-CG2 4.37Å; W26-R304 VanDerWaalsContact CD1-NH1 3.27Å; W26-R304 VanDerWaalsContact CE2-NH1 3.29Å; W26-R304 VanDerWaalsContact NE1-NH2 3.17Å
27	D	32.9	Very low	31.8	Very low	60 Å²	60	121.6 Å²	121.6	32%	0.321	66%	0.662	S	S	.	*			trans	-140.1	93.1	173.2	-161.6	-5.4	0	0	0	114.2	D25 R29	D25-D27 PolarHBondContact O-N 2.9Å; D27-R29 PolarHBondContact O-N 2.83Å; D27-R29 WeakPolarHBondContact OD1-CB 3.31Å; D27-R29 WeakPolarHBondContact OD1-CD 3.46Å; D27-R29 WeakPolarHBondContact OD1-CG 3.33Å; D27-R29 PolarHBondContact OD1-N 2.89Å; D27-R29 VanDerWaalsContact OD1-N 3.09Å; D27-R29 IonicContact OD1-NE 2.69Å
28	I	34.6	Very low	31.9	Very low	124 Å²	124	121.5 Å²	121.5	64%	0.636	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	14	179.5	-47.4	178.9	0	0	0	111.2
29	R	36.2	Very low	31.7	Very low	105 Å²	105	122.6 Å²	122.6	40%	0.396	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-13.6	-175.4	-64.9	169.9	179.2	-131.3	6.3	115.2	D27 D108	D27-R29 PolarHBondContact O-N 2.83Å; D27-R29 WeakPolarHBondContact OD1-CB 3.31Å; D27-R29 WeakPolarHBondContact OD1-CD 3.46Å; D27-R29 WeakPolarHBondContact OD1-CG 3.33Å; D27-R29 PolarHBondContact OD1-N 2.89Å; D27-R29 VanDerWaalsContact OD1-N 3.09Å; D27-R29 IonicContact OD1-NE 2.69Å; R29-D108 IonicContact CZ-OD1 2.89Å; R29-D108 VanDerWaalsContact NH1-CG 3.33Å; R29-D108 IonicContact NH1-OD1 2.7Å; R29-D108 PolarHBondContact NH1-OD1 3.21Å; R29-D108 IonicContact NH1-OD2 3.23Å; R29-D108 PolarHBondContact NH1-OD2 3.46Å
30	A	32.2	Very low	31.9	Very low	70 Å²	70	122 Å²	122	58%	0.579	68%	0.676	S	S	*	*			trans	-117.8	91.7	-169.1	0	0	0	0	0	113.9
31	S	31	Very low	31.9	Very low	78 Å²	78	118.3 Å²	118.3	55%	0.545	68%	0.676	S	S	.	*			trans	-171.3	50.3	167.4	42.7	0	0	0	0	114.6	R342	S31-R342 PolarHBondContact O-NH2 3.11Å; S31-R342 PolarHBondContact OG-NH2 2.04Å
32	V	33.3	Very low	32.1	Very low	97 Å²	97	116.2 Å²	116.2	59%	0.588	68%	0.675	S	S	*	*			trans	-133.9	120.6	168.2	-179	0	0	0	0	109.7
33	I	35.7	Very low	32.2	Very low	163 Å²	163	116.9 Å²	116.9	84%	0.836	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-95.2	127.3	168.4	-60	173.2	0	0	0	106.8
34	F	32.1	Very low	32.3	Very low	177 Å²	177	115.8 Å²	115.8	78%	0.776	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-80.7	133.1	174.1	-68.1	-83.5	0	0	0	110.1
35	P	32.9	Very low	32.5	Very low	118 Å²	118	115.6 Å²	115.6	77%	0.766	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-68.2	142.2	168.1	30.2	-33.5	0	0	0	109.8
36	S	32.4	Very low	32.8	Very low	109 Å²	109	119.2 Å²	119.2	76%	0.762	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66	144.1	173.1	40.5	0	0	0	0	111.2
37	P	35.3	Very low	33.1	Very low	116 Å²	116	117.8 Å²	117.8	75%	0.753	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-66.6	142.9	176.7	28.1	-34.2	0	0	0	110.7
38	P	33.4	Very low	33.2	Very low	119 Å²	119	121 Å²	121	77%	0.773	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68.6	137.7	-178	28.3	-34.8	0	0	0	111.6	S40	P38-S40 PolarHBondContact O-N 2.85Å
39	S	29.3	Very low	33.2	Very low	118 Å²	118	121 Å²	121	83%	0.825	74%	0.738	S	S	*	*			trans	-71.5	89.5	176	40.4	0	0	0	0	111.6	T41	S39-T41 PolarHBondContact O-N 3.24Å; S39-T41 VanDerWaalsContact O-N 3.13Å
40	S	33.2	Very low	33.1	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	75%	0.753	S	S	*	*			trans	-72.4	101.3	174.1	42.6	0	0	0	0	111.4	P38 S42	P38-S40 PolarHBondContact O-N 2.85Å; S40-S42 PolarHBondContact O-N 2.85Å
41	T	28.2	Very low	33.4	Very low	136 Å²	136	126.2 Å²	126.2	83%	0.834	76%	0.763	S	S	*	*			trans	-65	128.2	168.3	48.7	0	0	0	0	110.4	S39	S39-T41 PolarHBondContact O-N 3.24Å; S39-T41 VanDerWaalsContact O-N 3.13Å
42	S	33.9	Very low	33.6	Very low	119 Å²	119	131.6 Å²	131.6	83%	0.832	78%	0.777	S	S	*	*			trans	-131.7	135.1	165.4	54.8	0	0	0	0	108.9	S40	S40-S42 PolarHBondContact O-N 2.85Å
43	T	31.8	Very low	33.7	Very low	129 Å²	129	132.2 Å²	132.2	79%	0.791	79%	0.786	S	S	*	*			trans	-107.9	127.8	-160.7	-56.5	0	0	0	0	111.6
44	T	32.4	Very low	33.7	Very low	142 Å²	142	129.3 Å²	129.3	87%	0.871	78%	0.78	S	S	*	*			trans	-153.7	136.1	151.2	10.6	0	0	0	0	110.7
45	P	33.9	Very low	33.7	Very low	107 Å²	107	129.9 Å²	129.9	70%	0.695	78%	0.782	S	S	*	*			trans	-109.6	162.6	-174.1	40.3	-34.5	0	0	0	114.2
46	I	35	Very low	33.8	Very low	169 Å²	169	132.9 Å²	132.9	87%	0.867	79%	0.785	S	S	*	*			trans	178.3	149.7	138.8	-95.9	156.1	0	0	0	109.9
47	P	35.3	Very low	33.8	Very low	106 Å²	106	135 Å²	135	69%	0.688	79%	0.788	S	S	*	*			trans	-134.1	-160	-137	37.5	-17.2	0	0	0	117.5
48	V	35.5	Very low	33.9	Very low	128 Å²	128	136.7 Å²	136.7	78%	0.776	80%	0.796	S	S	*	*			trans	71.1	146.7	170.3	-115.9	0	0	0	0	116.1
49	V	34.5	Very low	34.1	Very low	124 Å²	124	133.6 Å²	133.6	75%	0.752	79%	0.785	S	S	*	*			cis	-144.2	148	13.4	-168.6	0	0	0	0	112.3
50	P	34.7	Very low	34.6	Very low	110 Å²	110	134.6 Å²	134.6	71%	0.714	78%	0.782	S	S	*	*			trans	-121	158.3	175	40.8	-30.6	0	0	0	117
51	H	37.3	Very low	34.8	Very low	173 Å²	173	136 Å²	136	80%	0.801	78%	0.776	S	S	*	*			trans	-139.2	132.2	162.2	-85.3	-111.2	0	0	0	108.2
52	K	36.4	Very low	35.3	Very low	192 Å²	192	135 Å²	135	84%	0.835	76%	0.763	S	S	*	*				63.5	134.7	64.5	-77.8	-169.8	175.8	176.7	0	114.1
53	S	34.7	Very low	35.5	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	76%	0.755	S	S	*	*			cis	-176.1	179.9	-3.4	46.5	0	0	0	0	112.7
54	S	35.5	Very low	35.8	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	75%	0.75	S	S	*	*			trans	93.7	117.2	172.1	-153.1	0	0	0	0	114.5
55	K	32.1	Very low	35.9	Very low	190 Å²	190	135.6 Å²	135.6	83%	0.826	74%	0.744	S	S	*	*			cis	78.8	120.6	47	-71.3	-171.9	173	-173.6	0	114.9
56	H	35.8	Very low	36.1	Very low	181 Å²	181	136.5 Å²	136.5	84%	0.838	75%	0.747	S	S	*	*				-162.4	156.6	111.4	-116.9	-87.9	0	0	0	112.8
57	N	32.4	Very low	36	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	74%	0.737	S	S	*	*			trans	-107	161.5	-179.4	-73.2	-3.1	0	0	0	112.2
58	V	37.1	Very low	36	Very low	152 Å²	152	136.7 Å²	136.7	92%	0.921	74%	0.742	S	S	*	*			trans	167.6	137.7	132.4	152.1	0	0	0	0	108.1
59	G	37.2	Very low	35.9	Very low	54 Å²	54	135.4 Å²	135.4	56%	0.557	74%	0.739	S	S	*	*			cis	165.9	153.3	-9.3	0	0	0	0	0	112.7
60	N	38.9	Very low	35.7	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	74%	0.74	S	S	*	*			trans	66.9	158.4	156.5	-61.2	40.7	0	0	0	118.4
61	E	38.3	Very low	35.5	Very low	140 Å²	140	141.6 Å²	141.6	65%	0.654	75%	0.752	S	S	*	*			cis	-170	172.7	-20.7	-103.1	-179.2	140.2	0	0	107
62	M	38.3	Very low	35.2	Very low	115 Å²	115	139 Å²	139	57%	0.567	75%	0.748	S	S	*	*			cis	-162.3	151.5	0.6	-126.4	-169.3	-169.1	0	0	109.3
63	K	38.1	Very low	34.8	Very low	154 Å²	154	137 Å²	137	67%	0.67	75%	0.747	S	S	*	*			trans	66.5	151.7	146.3	-68.4	174.2	177.2	157	0	119.2
64	N	39.1	Very low	34.8	Very low	126 Å²	126	139.1 Å²	139.1	67%	0.674	75%	0.748	S	S	*	*			cis	-168.2	157.1	-9.5	-115.7	3.1	0	0	0	112.2
65	V	34.7	Very low	34.6	Very low	123 Å²	123	141.6 Å²	141.6	75%	0.745	75%	0.752	S	S	*	*			trans	63.4	130	138.4	169.8	0	0	0	0	118.3
66	V	36.5	Very low	34.7	Very low	126 Å²	126	141 Å²	141	76%	0.764	75%	0.753	S	S	*	*			cis	-159.1	171.2	-1.7	108.9	0	0	0	0	111.2
67	T	34.5	Very low	34.5	Very low	107 Å²	107	137.2 Å²	137.2	66%	0.656	75%	0.746	S	S	*	*			trans	-66.8	174.9	172	51	0	0	0	0	112.4
68	E	34.5	Very low	34.5	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.804	74%	0.743	S	S	*	*			cis	-164.3	166.5	20	-151	152.2	-143.6	0	0	111.9
69	S	32.6	Very low	34.1	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	74%	0.738	S	S	*	*			trans	71.6	106.4	152.9	-147.1	0	0	0	0	121.7
70	S	30.9	Very low	33.9	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	75%	0.753	S	S	*	*				69.1	81.6	127.7	-51	0	0	0	0	120.3
71	R	30.4	Very low	33.7	Very low	255 Å²	255	141.9 Å²	141.9	96%	0.962	76%	0.756	S	S	*	*			trans	-145.9	150.1	152	-114.1	176.6	-178	165.2	1.5	112.1
72	T	30.5	Very low	33.5	Very low	119 Å²	119	143 Å²	143	73%	0.73	77%	0.765	S	S	*	*			trans	-102.4	153.9	-174.3	47.2	0	0	0	0	113.7
73	N	29.8	Very low	33.3	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	78%	0.776	S	S	*	*			trans	86	154	159.7	-52.7	-28	0	0	0	119.5
74	I	34	Very low	33.3	Very low	155 Å²	155	147.6 Å²	147.6	80%	0.795	78%	0.784	S	S	*	*			trans	93.9	92.2	159.6	-48	-173.4	0	0	0	118.1
75	L	30.4	Very low	33	Very low	153 Å²	153	149.7 Å²	149.7	80%	0.801	79%	0.79	S	S	*	*			trans	75.5	154.6	136.5	-147	70.3	0	0	0	120.6
76	Q	34	Very low	33.4	Very low	178 Å²	178	150.4 Å²	150.4	83%	0.832	79%	0.785	S	S	*	*			trans	71.8	141.8	176.7	-55.4	177	-91.2	0	0	115.2
77	S	33.4	Very low	34.3	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	78%	0.784	S	S	*	*			cis	-164.7	147.7	-15	48.1	0	0	0	0	111.3
78	V	31.6	Very low	35.7	Very low	122 Å²	122	155 Å²	155	74%	0.739	79%	0.786	S	S	*	*			trans	37.7	118	146.5	-175.6	0	0	0	0	119.4
79	D	28.7	Very low	37.8	Very low	152 Å²	152	150.9 Å²	150.9	81%	0.813	77%	0.769	S	S	*	*			trans	73.6	158.5	157.1	-61.9	-20.1	0	0	0	121.6
80	E	32.6	Very low	40.4	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	74%	0.737	S	S	*	*			trans	75.3	152.5	179.7	-56.8	-158.9	122.9	0	0	120.3
81	V	34.4	Very low	43.1	Very low	134 Å²	134	141.4 Å²	141.4	81%	0.812	70%	0.701	S	S	*	*			trans	68.9	62	169.1	-153.2	0	0	0	0	119.2
82	I	34.9	Very low	46	Very low	164 Å²	164	130.6 Å²	130.6	84%	0.841	66%	0.662	S	S	*	*			trans	-132.6	79.1	134.5	-54.1	-177.4	0	0	0	109	K84	I82-K84 PolarHBondContact O-N 3.04Å
83	E	33.3	Very low	48.7	Very low	173 Å²	173	130.2 Å²	130.2	81%	0.808	65%	0.652	S	S	*	*			trans	-79.8	106.1	174.5	-171.7	-177.7	-175.4	0	0	110.3	Q85	E83-Q85 PolarHBondContact O-N 3.18Å
84	K	37.7	Very low	51.4	Low	191 Å²	191	123.7 Å²	123.7	83%	0.83	62%	0.619	S	S	*	*			trans	-78.4	111.2	163.3	-83.5	-175.5	175	177.7	0	108.6	I82 E86	I82-K84 PolarHBondContact O-N 3.04Å; K84-E86 PolarHBondContact O-N 2.92Å
85	Q	34.4	Very low	54.1	Low	171 Å²	171	116.4 Å²	116.4	80%	0.799	58%	0.582	S	S	*	*			trans	-58.4	106.7	172	-77.9	-176	-30.8	0	0	110.8	E83 I87	E83-Q85 PolarHBondContact O-N 3.18Å; Q85-I87 PolarHBondContact O-N 2.81Å
86	E	43.1	Very low	56.8	Low	137 Å²	137	115 Å²	115	64%	0.64	57%	0.571	S	S	*	*			trans	-71.5	105.4	170.3	-173.3	172	-130.9	0	0	108.6	K84 R88	K84-E86 PolarHBondContact O-N 2.92Å; E86-R88 PolarHBondContact O-N 2.87Å
87	I	55.1	Low	59.3	Low	144 Å²	144	109.8 Å²	109.8	74%	0.738	55%	0.549	S	S	*	.			trans	-65.1	107.1	174.6	-59	176.4	0	0	0	107.1	Q85 I89	Q85-I87 PolarHBondContact O-N 2.81Å; I87-I89 HydrophobicContact CG2-CG1 4.11Å; I87-I89 WeakPolarHBondContact O-CG1 3.45Å; I87-I89 PolarHBondContact O-N 3.19Å
88	R	64.4	Low	61.9	Low	187 Å²	187	105.2 Å²	105.2	71%	0.706	52%	0.517	S	S	*	.			trans	-73.9	91.6	177.9	-78.6	-178.4	-85.4	-173.3	-8.8	110.1	E86 I154	E86-R88 PolarHBondContact O-N 2.87Å; R88-I154 HydrophobicContact CB-CD1 3.8Å; R88-I154 HydrophobicContact CB-CG1 4.14Å; R88-I154 HydrophobicContact CB-CG2 4.46Å; R88-I154 HydrophobicContact CG-CG2 4.44Å
89	I	77.6	Confident	64.5	Low	85 Å²	85	102.2 Å²	102.2	44%	0.436	50%	0.495	S	S	.	.			trans	-81.7	136	179	-42	177.7	0	0	0	110.1	I87 A94 C153 I154	I87-I89 HydrophobicContact CG2-CG1 4.11Å; I87-I89 WeakPolarHBondContact O-CG1 3.45Å; I87-I89 PolarHBondContact O-N 3.19Å; I89-A94 HydrophobicContact CG2-CB 3.79Å; I89-C153 WeakPolarHBondContact O-CA 3.24Å; I89-I154 VanDerWaalsContact O-CG1 3.25Å; I89-I154 WeakPolarHBondContact O-CG1 3.38Å; I89-I154 PolarHBondContact O-N 3.22Å
90	D	87	Confident	67.1	Low	11 Å²	11	98.3 Å²	98.3	6%	0.059	48%	0.479	C	S	.	.	B	Isolated β-bridge	trans	-74	137.2	174.2	-175.4	-84.4	0	0	0	112.2	L92 E93 A94 I154 R161	D90-L92 VanDerWaalsContact C-N 3.34Å; D90-L92 PolarHBondContact O-N 2.82Å; D90-L92 PolarHBondContact OD1-N 3.28Å; D90-E93 HydrophobicContact CB-CB 3.88Å; D90-E93 PolarHBondContact O-N 3.44Å; D90-E93 PolarHBondContact OD1-N 3.42Å; D90-A94 WeakPolarHBondContact O-CB 3.48Å; D90-A94 PolarHBondContact O-N 2.77Å; D90-I154 WeakPolarHBondContact CA-O 3.39Å; D90-R161 IonicContact OD1-CZ 3.23Å; D90-R161 IonicContact OD1-NH1 3.38Å; D90-R161 IonicContact OD1-NH2 3.26Å; D90-R161 PolarHBondContact OD1-NH2 2.93Å; D90-R161 IonicContact OD2-CZ 3.5Å; D90-R161 IonicContact OD2-NH1 3.3Å; D90-R161 PolarHBondContact OD2-NH1 3.33Å; D90-R161 IonicContact OD2-NH2 3.56Å; D90-R161 PolarHBondContact OD2-NH2 2.72Å
91	C	89.1	Confident	69	Low	0 Å²	0	96.1 Å²	96.1	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-61	-38.5	-175.5	-57.4	0	0	0	0	113.6	L95 C153 I154 C155 L172	C91-L95 WeakPolarHBondContact O-CB 3.13Å; C91-L95 PolarHBondContact O-N 3.5Å; C91-C153 VanDerWaalsContact CA-SG 3.53Å; C91-C153 HydrophobicContact CB-CB 3.82Å; C91-C153 WeakPolarHBondContact CB-SG 3.42Å; C91-C153 WeakPolarHBondContact SG-CB 3.35Å; C91-C153 PolarHBondContact SG-O 3.22Å; C91-C153 CovalentContact SG-SG 2.03Å; C91-C153 PolarHBondContact SG-SG 3.11Å; C91-I154 PolarHBondContact N-O 2.82Å; C91-I154 PolarHBondContact SG-O 3.34Å; C91-I154 VanDerWaalsContact SG-O 3.4Å; C91-C155 VanDerWaalsContact SG-SG 3.63Å; C91-L172 HydrophobicContact CB-CD2 3.96Å; C91-L172 WeakPolarHBondContact O-CD2 3.48Å
92	L	89.3	Confident	70.4	Confident	28 Å²	28	95.3 Å²	95.3	15%	0.147	47%	0.468	C	S	.	.	H	α-helix	trans	-79.9	-35.3	180	-69.3	-178.5	0	0	0	111.6	D90 L95 H96 W119 D165 K168 C169 L172	D90-L92 VanDerWaalsContact C-N 3.34Å; D90-L92 PolarHBondContact O-N 2.82Å; D90-L92 PolarHBondContact OD1-N 3.28Å; L92-L95 PolarHBondContact O-N 3.36Å; L92-H96 WeakPolarHBondContact O-CB 3.1Å; L92-H96 PolarHBondContact O-N 2.89Å; L92-W119 HydrophobicContact CD2-CH2 3.68Å; L92-W119 HydrophobicContact CD2-CZ3 3.84Å; L92-D165 HydrophobicContact CD1-CB 4.12Å; L92-D165 WeakPolarHBondContact CD1-O 3.41Å; L92-K168 HydrophobicContact CD1-CB 4.15Å; L92-K168 HydrophobicContact CD2-CB 4.36Å; L92-C169 HydrophobicContact CD1-CB 3.82Å; L92-C169 HydrophobicContact CG-CB 3.8Å; L92-L172 HydrophobicContact CD2-CD2 3.96Å
93	E	87.9	Confident	72.5	Confident	111 Å²	111	89.5 Å²	89.5	52%	0.519	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-47.9	175.4	-168.5	179.6	168.3	0	0	111	D90 L95 H96 N97	D90-E93 HydrophobicContact CB-CB 3.88Å; D90-E93 PolarHBondContact O-N 3.44Å; D90-E93 PolarHBondContact OD1-N 3.42Å; E93-L95 PolarHBondContact O-N 2.8Å; E93-H96 PolarHBondContact O-N 2.9Å; E93-N97 VanDerWaalsContact O-CB 3.3Å; E93-N97 WeakPolarHBondContact O-CB 3.25Å; E93-N97 PolarHBondContact O-N 3.18Å; E93-N97 PolarHBondContact O-ND2 2.89Å; E93-N97 VanDerWaalsContact O-ND2 3.17Å
94	A	87	Confident	74.7	Confident	13 Å²	13	84.9 Å²	84.9	11%	0.107	43%	0.428	C	S	.	.	H	α-helix	trans	-58.8	-44.5	175.1	0	0	0	0	0	112.5	I89 D90 C98 L150	I89-A94 HydrophobicContact CG2-CB 3.79Å; D90-A94 WeakPolarHBondContact O-CB 3.48Å; D90-A94 PolarHBondContact O-N 2.77Å; A94-C98 WeakPolarHBondContact O-CB 3.44Å; A94-C98 PolarHBondContact O-N 3.22Å; A94-L150 HydrophobicContact CB-CD2 3.4Å
95	L	90.1	Very high	77	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-69.4	-45.4	-179.9	-173.9	63.3	0	0	0	112.3	C91 L92 E93 N97 C98 E99 V109 W119 M143 L150 L172	C91-L95 WeakPolarHBondContact O-CB 3.13Å; C91-L95 PolarHBondContact O-N 3.5Å; L92-L95 PolarHBondContact O-N 3.36Å; E93-L95 PolarHBondContact O-N 2.8Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.02Å; L95-C98 CarbonylContact O-C 3.57Å; L95-C98 WeakPolarHBondContact O-CA 3.28Å; L95-C98 WeakPolarHBondContact O-CB 3.39Å; L95-C98 PolarHBondContact O-N 3.2Å; L95-C98 VanDerWaalsContact O-N 3.11Å; L95-E99 PolarHBondContact O-N 2.88Å; L95-V109 HydrophobicContact CD1-CB 4.41Å; L95-V109 HydrophobicContact CD1-CG1 3.86Å; L95-V109 HydrophobicContact CD1-CG2 3.58Å; L95-W119 HydrophobicContact CD2-CD2 4.15Å; L95-W119 HydrophobicContact CD2-CH2 3.96Å; L95-W119 HydrophobicContact CD2-CZ2 3.3Å; L95-M143 HydrophobicContact CD1-CE 3.71Å; L95-L150 HydrophobicContact CD1-CD1 4.45Å; L95-L172 HydrophobicContact CB-CD2 4.13Å; L95-L172 HydrophobicContact CD2-CD1 3.9Å; L95-L172 HydrophobicContact CD2-CD2 3.57Å; L95-L172 HydrophobicContact CD2-CG 4.39Å; L95-L172 HydrophobicContact CG-CD2 4.48Å
96	H	88.1	Confident	79.6	Confident	123 Å²	123	72.6 Å²	72.6	57%	0.569	37%	0.374	S	S	*	.	H	α-helix	trans	-60.2	-42.9	176.3	177.3	-87.9	0	0	0	111.3	L92 E93 C98 E99 S100	L92-H96 WeakPolarHBondContact O-CB 3.1Å; L92-H96 PolarHBondContact O-N 2.89Å; E93-H96 PolarHBondContact O-N 2.9Å; H96-C98 VanDerWaalsContact C-N 3.33Å; H96-C98 PolarHBondContact O-N 3Å; H96-E99 PolarHBondContact O-N 2.92Å; H96-S100 VanDerWaalsContact O-CB 3.28Å; H96-S100 WeakPolarHBondContact O-CB 3.48Å; H96-S100 PolarHBondContact O-N 3.31Å; H96-S100 PolarHBondContact O-OG 2.92Å
97	N	86.2	Confident	81.7	Confident	68 Å²	68	69.3 Å²	69.3	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-57.3	-48.5	173	-70.7	-20.2	0	0	0	110.4	E93 L95 E99 S100 F101	E93-N97 VanDerWaalsContact O-CB 3.3Å; E93-N97 WeakPolarHBondContact O-CB 3.25Å; E93-N97 PolarHBondContact O-N 3.18Å; E93-N97 PolarHBondContact O-ND2 2.89Å; E93-N97 VanDerWaalsContact O-ND2 3.17Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.02Å; N97-E99 PolarHBondContact O-N 3.26Å; N97-S100 PolarHBondContact O-N 3.22Å; N97-S100 PolarHBondContact O-OG 2.93Å; N97-F101 HydrophobicContact CB-CE2 4.41Å; N97-F101 WeakPolarHBondContact O-CD2 3.31Å; N97-F101 PolarHBondContact O-N 3Å; N97-F101 VanDerWaalsContact O-N 3.08Å
98	C	87.1	Confident	83.2	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.034	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-36.4	178.4	-170.2	0	0	0	0	114.3	A94 L95 H96 C105 K106 V109	A94-C98 WeakPolarHBondContact O-CB 3.44Å; A94-C98 PolarHBondContact O-N 3.22Å; L95-C98 CarbonylContact O-C 3.57Å; L95-C98 WeakPolarHBondContact O-CA 3.28Å; L95-C98 WeakPolarHBondContact O-CB 3.39Å; L95-C98 PolarHBondContact O-N 3.2Å; L95-C98 VanDerWaalsContact O-N 3.11Å; H96-C98 VanDerWaalsContact C-N 3.33Å; H96-C98 PolarHBondContact O-N 3Å; C98-C105 VanDerWaalsContact CA-SG 3.58Å; C98-C105 HydrophobicContact CB-CB 4.15Å; C98-C105 WeakPolarHBondContact CB-SG 3.4Å; C98-C105 VanDerWaalsContact SG-CA 3.52Å; C98-C105 WeakPolarHBondContact SG-CB 3.45Å; C98-C105 PolarHBondContact SG-O 2.85Å; C98-C105 CovalentContact SG-SG 2.04Å; C98-C105 PolarHBondContact SG-SG 2.83Å; C98-K106 PolarHBondContact O-N 2.86Å; C98-V109 HydrophobicContact CB-CG2 4.31Å; C98-V109 VanDerWaalsContact SG-CG2 3.56Å
99	E	86.9	Confident	84.4	Confident	60 Å²	60	53.8 Å²	53.8	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-74.7	-31.5	174.3	-70.8	-173.5	144.5	0	0	112.8	L95 H96 N97 V109 K113	L95-E99 PolarHBondContact O-N 2.88Å; H96-E99 PolarHBondContact O-N 2.92Å; N97-E99 PolarHBondContact O-N 3.26Å; E99-V109 HydrophobicContact CG-CB 4.4Å; E99-V109 HydrophobicContact CG-CG1 3.9Å; E99-V109 HydrophobicContact CG-CG2 4.38Å; E99-V109 WeakPolarHBondContact OE1-CG1 3.37Å; E99-K113 WeakPolarHBondContact OE1-CE 3.43Å; E99-K113 IonicContact OE1-NZ 2.89Å; E99-K113 PolarHBondContact OE1-NZ 2.96Å
100	S	82.5	Confident	84.9	Confident	69 Å²	69	54 Å²	54	48%	0.483	30%	0.295	S	S	.	.	H	α-helix	trans	-74.3	-32.6	179.1	75.2	0	0	0	0	113.4	H96 N97 S102	H96-S100 VanDerWaalsContact O-CB 3.28Å; H96-S100 WeakPolarHBondContact O-CB 3.48Å; H96-S100 PolarHBondContact O-N 3.31Å; H96-S100 PolarHBondContact O-OG 2.92Å; N97-S100 PolarHBondContact O-N 3.22Å; N97-S100 PolarHBondContact O-OG 2.93Å; S100-S102 PolarHBondContact O-N 2.76Å
101	F	73.6	Confident	84.9	Confident	142 Å²	142	56.3 Å²	56.3	62%	0.623	31%	0.307	S	S	*	.	S	Bend	trans	-81.9	110.1	178.3	-72.3	-61	0	0	0	111.7	N97 G103	N97-F101 HydrophobicContact CB-CE2 4.41Å; N97-F101 WeakPolarHBondContact O-CD2 3.31Å; N97-F101 PolarHBondContact O-N 3Å; N97-F101 VanDerWaalsContact O-N 3.08Å; F101-G103 PolarHBondContact O-N 2.97Å; F101-G103 VanDerWaalsContact O-N 3.15Å
102	S	63.4	Low	84.9	Confident	118 Å²	118	56.3 Å²	56.3	83%	0.825	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	115.9	171	57.9	0	0	0	0	111.2	S100	S100-S102 PolarHBondContact O-N 2.76Å
103	G	77.8	Confident	84.8	Confident	42 Å²	42	58.3 Å²	58.3	43%	0.433	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	152.4	-159.7	179.6	0	0	0	0	0	112	F101 C105 K106 V107	F101-G103 PolarHBondContact O-N 2.97Å; F101-G103 VanDerWaalsContact O-N 3.15Å; G103-C105 PolarHBondContact O-N 2.7Å; G103-K106 PolarHBondContact O-N 2.03Å; G103-V107 PolarHBondContact O-N 3Å
104	I	80.5	Confident	84.7	Confident	75 Å²	75	57.6 Å²	57.6	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-28.5	-171.6	-52.3	164.3	0	0	0	112	V107 D108	I104-V107 PolarHBondContact O-N 2.89Å; I104-D108 WeakPolarHBondContact O-CB 3.5Å; I104-D108 PolarHBondContact O-N 2.87Å
105	C	86	Confident	84.7	Confident	18 Å²	18	60.1 Å²	60.1	12%	0.122	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-52.7	177.7	-150	0	0	0	0	111.5	C98 G103 V107 D108 V109 R147	C98-C105 VanDerWaalsContact CA-SG 3.58Å; C98-C105 HydrophobicContact CB-CB 4.15Å; C98-C105 WeakPolarHBondContact CB-SG 3.4Å; C98-C105 VanDerWaalsContact SG-CA 3.52Å; C98-C105 WeakPolarHBondContact SG-CB 3.45Å; C98-C105 PolarHBondContact SG-O 2.85Å; C98-C105 CovalentContact SG-SG 2.04Å; C98-C105 PolarHBondContact SG-SG 2.83Å; G103-C105 PolarHBondContact O-N 2.7Å; C105-V107 VanDerWaalsContact C-N 3.28Å; C105-V107 PolarHBondContact O-N 3.44Å; C105-D108 WeakPolarHBondContact O-CB 3.41Å; C105-D108 PolarHBondContact O-N 3.04Å; C105-D108 VanDerWaalsContact O-N 3.09Å; C105-V109 WeakPolarHBondContact O-CG2 3.39Å; C105-V109 PolarHBondContact O-N 3.04Å; C105-V109 VanDerWaalsContact O-N 3.09Å; C105-R147 HydrophobicContact CB-CB 4.47Å
106	K	87.9	Confident	84.5	Confident	87 Å²	87	60.3 Å²	60.3	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-56.3	-41.2	174.3	178.3	172.9	175.4	165	0	112.6	C98 G103 V109 E110	C98-K106 PolarHBondContact O-N 2.86Å; G103-K106 PolarHBondContact O-N 2.03Å; K106-V109 PolarHBondContact O-N 2.8Å; K106-E110 WeakPolarHBondContact CE-OE1 3.28Å; K106-E110 IonicContact NZ-OE1 3.45Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.08Å
107	V	88.5	Confident	84.2	Confident	68 Å²	68	55.5 Å²	55.5	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-39.7	176.5	177.1	0	0	0	0	111.6	G103 I104 C105 V109 E110 I111	G103-V107 PolarHBondContact O-N 3Å; I104-V107 PolarHBondContact O-N 2.89Å; C105-V107 VanDerWaalsContact C-N 3.28Å; C105-V107 PolarHBondContact O-N 3.44Å; V107-V109 VanDerWaalsContact C-N 3.28Å; V107-V109 PolarHBondContact O-N 2.04Å; V107-E110 PolarHBondContact O-N 3.25Å; V107-I111 HydrophobicContact CG1-CD1 3.87Å; V107-I111 HydrophobicContact CG1-CG1 4.37Å; V107-I111 WeakPolarHBondContact O-CB 3.47Å; V107-I111 VanDerWaalsContact O-CG1 3.24Å; V107-I111 WeakPolarHBondContact O-CG1 3.3Å; V107-I111 PolarHBondContact O-N 2.96Å
108	D	86.9	Confident	84.1	Confident	3 Å²	3	55 Å²	55	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-34.6	175.8	-65.8	-27.3	0	0	0	111.1	R29 I104 C105 F112 T142 R147	R29-D108 IonicContact CZ-OD1 2.89Å; R29-D108 VanDerWaalsContact NH1-CG 3.33Å; R29-D108 IonicContact NH1-OD1 2.7Å; R29-D108 PolarHBondContact NH1-OD1 3.21Å; R29-D108 IonicContact NH1-OD2 3.23Å; R29-D108 PolarHBondContact NH1-OD2 3.46Å; I104-D108 WeakPolarHBondContact O-CB 3.5Å; I104-D108 PolarHBondContact O-N 2.87Å; C105-D108 WeakPolarHBondContact O-CB 3.41Å; C105-D108 PolarHBondContact O-N 3.04Å; C105-D108 VanDerWaalsContact O-N 3.09Å; D108-F112 PolarHBondContact O-N 3.29Å; D108-F112 VanDerWaalsContact O-N 3.1Å; D108-T142 HydrophobicContact CB-CG2 3.84Å; D108-R147 IonicContact OD2-NH1 2.7Å
109	V	88.5	Confident	83.7	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-71.5	-41.4	172.6	-179	0	0	0	0	112.7	L95 C98 E99 C105 K106 V107 F112 K113 M143	L95-V109 HydrophobicContact CD1-CB 4.41Å; L95-V109 HydrophobicContact CD1-CG1 3.86Å; L95-V109 HydrophobicContact CD1-CG2 3.58Å; C98-V109 HydrophobicContact CB-CG2 4.31Å; C98-V109 VanDerWaalsContact SG-CG2 3.56Å; E99-V109 HydrophobicContact CG-CB 4.4Å; E99-V109 HydrophobicContact CG-CG1 3.9Å; E99-V109 HydrophobicContact CG-CG2 4.38Å; E99-V109 WeakPolarHBondContact OE1-CG1 3.37Å; C105-V109 WeakPolarHBondContact O-CG2 3.39Å; C105-V109 PolarHBondContact O-N 3.04Å; C105-V109 VanDerWaalsContact O-N 3.09Å; K106-V109 PolarHBondContact O-N 2.8Å; V107-V109 VanDerWaalsContact C-N 3.28Å; V107-V109 PolarHBondContact O-N 2.04Å; V109-F112 WeakPolarHBondContact O-CB 3.46Å; V109-F112 PolarHBondContact O-N 2.93Å; V109-K113 PolarHBondContact O-N 2.97Å; V109-M143 HydrophobicContact CG2-CE 4.08Å; V109-M143 HydrophobicContact CG2-SD 4.04Å
110	E	88	Confident	83.3	Confident	91 Å²	91	56.3 Å²	56.3	43%	0.425	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-39.1	176	-74	171.2	178.9	0	0	111.5	K106 V107 K113 T114	K106-E110 WeakPolarHBondContact CE-OE1 3.28Å; K106-E110 IonicContact NZ-OE1 3.45Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.08Å; V107-E110 PolarHBondContact O-N 3.25Å; E110-K113 PolarHBondContact O-N 3.22Å; E110-T114 VanDerWaalsContact O-CB 3.3Å; E110-T114 WeakPolarHBondContact O-CB 3.4Å; E110-T114 PolarHBondContact O-N 3.02Å; E110-T114 PolarHBondContact O-OG1 3.25Å
111	I	87.7	Confident	82.7	Confident	59 Å²	59	55.8 Å²	55.8	30%	0.303	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-45.7	170.6	-74.3	169.6	0	0	0	110.9	V107 T114 F115 A139	V107-I111 HydrophobicContact CG1-CD1 3.87Å; V107-I111 HydrophobicContact CG1-CG1 4.37Å; V107-I111 WeakPolarHBondContact O-CB 3.47Å; V107-I111 VanDerWaalsContact O-CG1 3.24Å; V107-I111 WeakPolarHBondContact O-CG1 3.3Å; V107-I111 PolarHBondContact O-N 2.96Å; I111-T114 PolarHBondContact O-N 3.16Å; I111-F115 HydrophobicContact CG2-CD2 3.86Å; I111-F115 HydrophobicContact CG2-CE2 4.07Å; I111-F115 VanDerWaalsContact O-CD2 3.28Å; I111-F115 WeakPolarHBondContact O-CD2 3.32Å; I111-F115 PolarHBondContact O-N 2.92Å; I111-F115 VanDerWaalsContact O-N 3.07Å; I111-A139 HydrophobicContact CG2-CB 3.92Å
112	F	87.9	Confident	82.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-49.4	176.5	174.2	-122.2	0	0	0	112.5	D108 V109 T114 F115 C116 W119 A139 L140 M143 L172 N175 L176	D108-F112 PolarHBondContact O-N 3.29Å; D108-F112 VanDerWaalsContact O-N 3.1Å; V109-F112 WeakPolarHBondContact O-CB 3.46Å; V109-F112 PolarHBondContact O-N 2.93Å; F112-T114 VanDerWaalsContact C-N 3.29Å; F112-T114 PolarHBondContact O-N 3.29Å; F112-F115 PolarHBondContact O-N 2.68Å; F112-C116 HydrophobicContact CD2-CB 3.8Å; F112-C116 HydrophobicContact CE2-CB 3.71Å; F112-C116 WeakPolarHBondContact O-CB 2.98Å; F112-C116 PolarHBondContact O-N 3.23Å; F112-W119 HydrophobicContact CE1-CB 3.87Å; F112-W119 HydrophobicContact CE1-CG 4.22Å; F112-W119 HydrophobicContact CZ-CB 4.39Å; F112-A139 HydrophobicContact CB-CB 4.28Å; F112-A139 HydrophobicContact CD2-CB 4.42Å; F112-L140 HydrophobicContact CD2-CD2 4.44Å; F112-L140 HydrophobicContact CE2-CD2 3.67Å; F112-L140 HydrophobicContact CE2-CG 4.21Å; F112-L140 HydrophobicContact CZ-CD2 4.47Å; F112-M143 HydrophobicContact CB-CE 4.42Å; F112-M143 HydrophobicContact CB-CG 3.67Å; F112-M143 HydrophobicContact CB-SD 3.86Å; F112-M143 HydrophobicContact CD1-CE 3.66Å; F112-M143 HydrophobicContact CD1-CG 4.06Å; F112-M143 HydrophobicContact CD1-SD 4.21Å; F112-M143 HydrophobicContact CD2-CG 4.02Å; F112-M143 HydrophobicContact CE1-CE 4.19Å; F112-M143 HydrophobicContact CG-CE 4.2Å; F112-M143 HydrophobicContact CG-CG 3.66Å; F112-M143 HydrophobicContact CG-SD 4.17Å; F112-L172 HydrophobicContact CE1-CD1 4.49Å; F112-N175 HydrophobicContact CZ-CB 4.39Å; F112-L176 HydrophobicContact CE1-CD2 4.23Å; F112-L176 HydrophobicContact CE2-CD2 4.38Å; F112-L176 HydrophobicContact CZ-CD2 3.95Å
113	K	88.1	Confident	82.2	Confident	69 Å²	69	59.6 Å²	59.6	30%	0.3	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-38.1	174.9	-69.6	177.8	-175.9	175.1	0	112.5	E99 V109 E110 G117 W119	E99-K113 WeakPolarHBondContact OE1-CE 3.43Å; E99-K113 IonicContact OE1-NZ 2.89Å; E99-K113 PolarHBondContact OE1-NZ 2.96Å; V109-K113 PolarHBondContact O-N 2.97Å; E110-K113 PolarHBondContact O-N 3.22Å; K113-G117 CarbonylContact O-C 3.56Å; K113-G117 WeakPolarHBondContact O-CA 3.39Å; K113-G117 PolarHBondContact O-N 3.31Å; K113-W119 VanDerWaalsContact CE-NE1 3.34Å
114	T	86.3	Confident	81.2	Confident	97 Å²	97	60.2 Å²	60.2	60%	0.595	31%	0.306	S	S	*	.	H	α-helix	trans	-67.4	-41.9	-177.3	-61.1	0	0	0	0	113	E110 I111 F112	E110-T114 VanDerWaalsContact O-CB 3.3Å; E110-T114 WeakPolarHBondContact O-CB 3.4Å; E110-T114 PolarHBondContact O-N 3.02Å; E110-T114 PolarHBondContact O-OG1 3.25Å; I111-T114 PolarHBondContact O-N 3.16Å; F112-T114 VanDerWaalsContact C-N 3.29Å; F112-T114 PolarHBondContact O-N 3.29Å
115	F	87.1	Confident	80.1	Confident	66 Å²	66	57 Å²	57	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-102.5	-27.4	-173.1	-62.8	-66.3	0	0	0	114.7	I111 F112 Y132 E135 C136	I111-F115 HydrophobicContact CG2-CD2 3.86Å; I111-F115 HydrophobicContact CG2-CE2 4.07Å; I111-F115 VanDerWaalsContact O-CD2 3.28Å; I111-F115 WeakPolarHBondContact O-CD2 3.32Å; I111-F115 PolarHBondContact O-N 2.92Å; I111-F115 VanDerWaalsContact O-N 3.07Å; F112-F115 PolarHBondContact O-N 2.68Å; F115-Y132 AromaticContact CD1-CD1 3.89Å; F115-Y132 HydrophobicContact CD1-CD1 3.89Å; F115-Y132 HydrophobicContact CD1-CG 4.1Å; F115-Y132 HydrophobicContact CE1-CD1 4.16Å; F115-E135 HydrophobicContact CB-CB 3.99Å; F115-E135 HydrophobicContact CD1-CB 3.53Å; F115-E135 HydrophobicContact CD1-CG 4.09Å; F115-E135 HydrophobicContact CD2-CB 4Å; F115-E135 HydrophobicContact CE1-CB 3.92Å; F115-E135 HydrophobicContact CE1-CG 4.01Å; F115-E135 HydrophobicContact CE2-CB 4.36Å; F115-E135 HydrophobicContact CG-CB 3.56Å; F115-E135 HydrophobicContact CZ-CB 4.32Å; F115-E135 HydrophobicContact CZ-CG 4.37Å; F115-C136 HydrophobicContact CB-CB 4.2Å
116	C	86	Confident	78.4	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-102.4	-5.3	-179.7	-61.6	0	0	0	0	114.6	F112 C136 H179	F112-C116 HydrophobicContact CD2-CB 3.8Å; F112-C116 HydrophobicContact CE2-CB 3.71Å; F112-C116 WeakPolarHBondContact O-CB 2.98Å; F112-C116 PolarHBondContact O-N 3.23Å; C116-C136 WeakPolarHBondContact CA-SG 3.49Å; C116-C136 HydrophobicContact CB-CB 4.2Å; C116-C136 WeakPolarHBondContact CB-SG 3.48Å; C116-C136 WeakPolarHBondContact SG-CA 3.04Å; C116-C136 WeakPolarHBondContact SG-CB 2.94Å; C116-C136 PolarHBondContact SG-O 3.46Å; C116-C136 VanDerWaalsContact SG-O 3.38Å; C116-C136 CovalentContact SG-SG 2.04Å; C116-C136 PolarHBondContact SG-SG 3.02Å; C116-H179 PolarHBondContact O-NE2 2.91Å
117	G	82.2	Confident	76.9	Confident	21 Å²	21	60.5 Å²	60.5	22%	0.216	32%	0.318	C	S	.	.			trans	88.8	170.3	-172.4	0	0	0	0	0	112.9	K113 W119	K113-G117 CarbonylContact O-C 3.56Å; K113-G117 WeakPolarHBondContact O-CA 3.39Å; K113-G117 PolarHBondContact O-N 3.31Å; G117-W119 PolarHBondContact O-N 3.28Å
118	D	82.2	Confident	76.2	Confident	58 Å²	58	59.2 Å²	59.2	31%	0.31	31%	0.311	S	S	.	.			trans	-72.3	123.8	178.6	-159.9	-49.8	0	0	0	110.8	T120 D121 L125	D118-T120 VanDerWaalsContact CG-OG1 3.31Å; D118-T120 PolarHBondContact O-N 3.24Å; D118-T120 WeakPolarHBondContact OD1-CB 3.46Å; D118-T120 WeakPolarHBondContact OD1-CG2 3.12Å; D118-T120 PolarHBondContact OD1-N 3.14Å; D118-T120 PolarHBondContact OD1-OG1 3.06Å; D118-D121 PolarHBondContact O-N 3.48Å; D118-L125 WeakPolarHBondContact O-CG 3.33Å
119	W	79.8	Confident	75.7	Confident	17 Å²	17	64.7 Å²	64.7	6%	0.064	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.5	-179.6	67.8	-96.7	0	0	0	113.8	L92 L95 F112 K113 G117 K168 L171 L172 N175	L92-W119 HydrophobicContact CD2-CH2 3.68Å; L92-W119 HydrophobicContact CD2-CZ3 3.84Å; L95-W119 HydrophobicContact CD2-CD2 4.15Å; L95-W119 HydrophobicContact CD2-CH2 3.96Å; L95-W119 HydrophobicContact CD2-CZ2 3.3Å; F112-W119 HydrophobicContact CE1-CB 3.87Å; F112-W119 HydrophobicContact CE1-CG 4.22Å; F112-W119 HydrophobicContact CZ-CB 4.39Å; K113-W119 VanDerWaalsContact CE-NE1 3.34Å; G117-W119 PolarHBondContact O-N 3.28Å; W119-K168 HydrophobicContact CZ3-CB 4.31Å; W119-L171 WeakPolarHBondContact O-CD2 3.02Å; W119-L171 WeakPolarHBondContact O-CG 3.38Å; W119-L172 HydrophobicContact CB-CD1 4.27Å; W119-L172 HydrophobicContact CD2-CB 4.47Å; W119-L172 HydrophobicContact CD2-CD1 3.87Å; W119-L172 HydrophobicContact CE3-CB 3.68Å; W119-L172 HydrophobicContact CE3-CD1 3.95Å; W119-L172 HydrophobicContact CE3-CG 4.25Å; W119-L172 HydrophobicContact CG-CD1 4Å; W119-L172 HydrophobicContact CZ3-CB 3.95Å; W119-L172 HydrophobicContact CZ3-CD2 4.41Å; W119-N175 WeakPolarHBondContact CA-ND2 3.33Å; W119-N175 PolarHBondContact O-ND2 3.27Å
120	T	77.9	Confident	75	Confident	75 Å²	75	71.7 Å²	71.7	46%	0.46	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.1	178.6	64.4	0	0	0	0	114.2	D118	D118-T120 VanDerWaalsContact CG-OG1 3.31Å; D118-T120 PolarHBondContact O-N 3.24Å; D118-T120 WeakPolarHBondContact OD1-CB 3.46Å; D118-T120 WeakPolarHBondContact OD1-CG2 3.12Å; D118-T120 PolarHBondContact OD1-N 3.14Å; D118-T120 PolarHBondContact OD1-OG1 3.06Å
121	D	70.6	Confident	74.6	Confident	59 Å²	59	74.5 Å²	74.5	32%	0.316	37%	0.374	S	S	.	.			trans	-114.7	112.6	-178.8	164.1	40.8	0	0	0	112.3	D118 R123 S124 L125	D118-D121 PolarHBondContact O-N 3.48Å; D121-R123 PolarHBondContact O-N 3.36Å; D121-R123 WeakPolarHBondContact OD1-CB 3.46Å; D121-R123 PolarHBondContact OD1-N 3.06Å; D121-S124 PolarHBondContact O-N 2.95Å; D121-S124 VanDerWaalsContact O-N 3.17Å; D121-S124 VanDerWaalsContact OD2-CB 3.29Å; D121-S124 WeakPolarHBondContact OD2-CB 3.27Å; D121-S124 PolarHBondContact OD2-N 3.45Å; D121-S124 PolarHBondContact OD2-OG 2.93Å; D121-L125 WeakPolarHBondContact O-CD1 3.29Å; D121-L125 VanDerWaalsContact O-CG 3.31Å; D121-L125 WeakPolarHBondContact O-CG 3.27Å
122	E	62.6	Low	74.4	Confident	120 Å²	120	74.8 Å²	74.8	56%	0.561	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.4	177.7	-65.6	-149.6	111.6	0	0	114.6	L171 K174	E122-L171 HydrophobicContact CG-CD1 3.89Å; E122-L171 HydrophobicContact CG-CD2 3.89Å; E122-K174 IonicContact OE1-NZ 3.62Å
123	R	63	Low	74.2	Confident	219 Å²	219	77.3 Å²	77.3	83%	0.826	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-39.9	-178.4	-58.5	-177.8	179.1	-166.5	0.5	112.5	D121 L125	D121-R123 PolarHBondContact O-N 3.36Å; D121-R123 WeakPolarHBondContact OD1-CB 3.46Å; D121-R123 PolarHBondContact OD1-N 3.06Å; R123-L125 PolarHBondContact O-N 2.96Å; R123-L125 VanDerWaalsContact O-N 3.14Å
124	S	57.5	Low	73.9	Confident	56 Å²	56	83.3 Å²	83.3	39%	0.392	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-59.5	-20.3	173.1	-67.5	0	0	0	0	113	D121	D121-S124 PolarHBondContact O-N 2.95Å; D121-S124 VanDerWaalsContact O-N 3.17Å; D121-S124 VanDerWaalsContact OD2-CB 3.29Å; D121-S124 WeakPolarHBondContact OD2-CB 3.27Å; D121-S124 PolarHBondContact OD2-N 3.45Å; D121-S124 PolarHBondContact OD2-OG 2.93Å
125	L	57	Low	74	Confident	8 Å²	8	82.6 Å²	82.6	4%	0.042	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-96.6	6.8	-169.5	-66	162	0	0	0	115.1	D118 D121 R123 L171 N175	D118-L125 WeakPolarHBondContact O-CG 3.33Å; D121-L125 WeakPolarHBondContact O-CD1 3.29Å; D121-L125 VanDerWaalsContact O-CG 3.31Å; D121-L125 WeakPolarHBondContact O-CG 3.27Å; R123-L125 PolarHBondContact O-N 2.96Å; R123-L125 VanDerWaalsContact O-N 3.14Å; L125-L171 HydrophobicContact CD1-CD1 3.76Å; L125-L171 HydrophobicContact CD1-CD2 4.16Å; L125-L171 HydrophobicContact CD1-CG 3.99Å; L125-N175 VanDerWaalsContact CD1-CG 3.48Å; L125-N175 WeakPolarHBondContact CD1-ND2 3.01Å; L125-N175 VanDerWaalsContact CD1-OD1 3.3Å; L125-N175 WeakPolarHBondContact CD1-OD1 3.01Å; L125-N175 HydrophobicContact CD2-CB 4.08Å; L125-N175 VanDerWaalsContact CD2-CG 3.44Å
126	M	51.6	Low	74.1	Confident	137 Å²	137	79.5 Å²	79.5	68%	0.675	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-100	4.1	-177.9	-68.1	-84	75.2	0	0	114.7
127	G	56.4	Low	74.2	Confident	41 Å²	41	82.5 Å²	82.5	42%	0.423	40%	0.395	S	S	.	.			trans	-134.1	101.9	-177.1	0	0	0	0	0	114.1	Q129	G127-Q129 PolarHBondContact O-N 3.35Å
128	C	72.8	Confident	74.5	Confident	40 Å²	40	84.9 Å²	84.9	27%	0.27	41%	0.408	S	S	.	.			trans	-68	100.9	158.5	-172.4	0	0	0	0	108.7	R130 L133 P180 C181	C128-R130 PolarHBondContact O-N 3.32Å; C128-L133 WeakPolarHBondContact SG-CD1 3.43Å; C128-P180 HydrophobicContact CB-CB 3.99Å; C128-C181 WeakPolarHBondContact CA-SG 3.4Å; C128-C181 HydrophobicContact CB-CB 4.04Å; C128-C181 WeakPolarHBondContact CB-SG 3.5Å; C128-C181 WeakPolarHBondContact SG-CA 3.06Å; C128-C181 WeakPolarHBondContact SG-CB 3.42Å; C128-C181 CovalentContact SG-SG 2.03Å; C128-C181 PolarHBondContact SG-SG 3.14Å
129	Q	75.8	Confident	74.8	Confident	119 Å²	119	82.2 Å²	82.2	56%	0.556	39%	0.394	S	S	*	.			trans	-72	120.5	-178.3	-62.1	-169.4	20.3	0	0	109.9	G127 K131 Y132 L133	G127-Q129 PolarHBondContact O-N 3.35Å; Q129-K131 PolarHBondContact O-N 3.37Å; Q129-Y132 HydrophobicContact CB-CD2 4.09Å; Q129-Y132 CarbonylContact O-C 3.52Å; Q129-Y132 PolarHBondContact O-N 3.35Å; Q129-L133 PolarHBondContact O-N 3Å
130	R	74.1	Confident	75.3	Confident	147 Å²	147	81.4 Å²	81.4	56%	0.555	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-48.3	-34.7	179	-168.2	-174.1	-166.1	125.3	13.8	113.3	C128 Y132 E191	C128-R130 PolarHBondContact O-N 3.32Å; R130-Y132 VanDerWaalsContact C-N 3.31Å; R130-Y132 PolarHBondContact O-N 3.19Å; R130-E191 IonicContact CZ-OE1 3.25Å; R130-E191 VanDerWaalsContact CZ-OE1 3.25Å; R130-E191 IonicContact NE-OE1 3.09Å; R130-E191 PolarHBondContact NE-OE1 3.01Å; R130-E191 VanDerWaalsContact NE-OE1 3.09Å; R130-E191 VanDerWaalsContact NH2-CD 3.34Å; R130-E191 IonicContact NH2-OE1 2.68Å; R130-E191 PolarHBondContact NH2-OE1 3.4Å
131	K	80.7	Confident	75.8	Confident	151 Å²	151	81.8 Å²	81.8	66%	0.657	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-65.3	-27.2	178.6	-171.5	-175.7	172.9	-158.5	0	114.1	Q129	Q129-K131 PolarHBondContact O-N 3.37Å
132	Y	83	Confident	76.6	Confident	65 Å²	65	80.1 Å²	80.1	26%	0.255	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-124.2	21.4	-173	-53.6	-54.9	0	0	0	112.6	F115 Q129 R130 R134 E135 C136	F115-Y132 AromaticContact CD1-CD1 3.89Å; F115-Y132 HydrophobicContact CD1-CD1 3.89Å; F115-Y132 HydrophobicContact CD1-CG 4.1Å; F115-Y132 HydrophobicContact CE1-CD1 4.16Å; Q129-Y132 HydrophobicContact CB-CD2 4.09Å; Q129-Y132 CarbonylContact O-C 3.52Å; Q129-Y132 PolarHBondContact O-N 3.35Å; R130-Y132 VanDerWaalsContact C-N 3.31Å; R130-Y132 PolarHBondContact O-N 3.19Å; Y132-R134 PolarHBondContact O-N 2.94Å; Y132-E135 VanDerWaalsContact CA-OE2 3.27Å; Y132-E135 WeakPolarHBondContact CA-OE2 3.38Å; Y132-E135 PolarHBondContact O-N 3.48Å; Y132-C136 VanDerWaalsContact O-CB 3.31Å; Y132-C136 WeakPolarHBondContact O-CB 3.37Å; Y132-C136 PolarHBondContact O-N 2.94Å
133	L	83.2	Confident	77.9	Confident	52 Å²	52	74.4 Å²	74.4	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-56.3	-51.5	-174.7	173.3	64.2	0	0	0	111.8	C128 Q129 Q137 C181	C128-L133 WeakPolarHBondContact SG-CD1 3.43Å; Q129-L133 PolarHBondContact O-N 3Å; L133-Q137 HydrophobicContact CD1-CG 4.49Å; L133-Q137 WeakPolarHBondContact O-CB 3.38Å; L133-Q137 WeakPolarHBondContact O-CG 3.38Å; L133-Q137 PolarHBondContact O-N 2.89Å; L133-C181 HydrophobicContact CD1-CB 4.32Å
134	R	82.1	Confident	79.2	Confident	196 Å²	196	64.9 Å²	64.9	74%	0.74	32%	0.317	S	S	*	.	H	α-helix	trans	-74.4	-34.1	-176.2	-68.3	-173.4	-179.1	-117.8	4.8	111.7	Y132 S138	Y132-R134 PolarHBondContact O-N 2.94Å; R134-S138 VanDerWaalsContact O-CB 3.3Å; R134-S138 WeakPolarHBondContact O-CB 3.5Å; R134-S138 PolarHBondContact O-N 3.35Å; R134-S138 PolarHBondContact O-OG 3.21Å
135	E	88.2	Confident	80.4	Confident	81 Å²	81	66.8 Å²	66.8	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-46.8	177.5	-63.3	82.8	168.2	0	0	110.7	F115 Y132 S138 A139	F115-E135 HydrophobicContact CB-CB 3.99Å; F115-E135 HydrophobicContact CD1-CB 3.53Å; F115-E135 HydrophobicContact CD1-CG 4.09Å; F115-E135 HydrophobicContact CD2-CB 4Å; F115-E135 HydrophobicContact CE1-CB 3.92Å; F115-E135 HydrophobicContact CE1-CG 4.01Å; F115-E135 HydrophobicContact CE2-CB 4.36Å; F115-E135 HydrophobicContact CG-CB 3.56Å; F115-E135 HydrophobicContact CZ-CB 4.32Å; F115-E135 HydrophobicContact CZ-CG 4.37Å; Y132-E135 VanDerWaalsContact CA-OE2 3.27Å; Y132-E135 WeakPolarHBondContact CA-OE2 3.38Å; Y132-E135 PolarHBondContact O-N 3.48Å; E135-S138 PolarHBondContact O-N 3.45Å; E135-A139 WeakPolarHBondContact O-CB 3.32Å; E135-A139 PolarHBondContact O-N 3.02Å
136	C	88.9	Confident	81.6	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-43.3	174.5	177.1	0	0	0	0	112	F115 C116 Y132 S138 A139 L140 H179	F115-C136 HydrophobicContact CB-CB 4.2Å; C116-C136 WeakPolarHBondContact CA-SG 3.49Å; C116-C136 HydrophobicContact CB-CB 4.2Å; C116-C136 WeakPolarHBondContact CB-SG 3.48Å; C116-C136 WeakPolarHBondContact SG-CA 3.04Å; C116-C136 WeakPolarHBondContact SG-CB 2.94Å; C116-C136 PolarHBondContact SG-O 3.46Å; C116-C136 VanDerWaalsContact SG-O 3.38Å; C116-C136 CovalentContact SG-SG 2.04Å; C116-C136 PolarHBondContact SG-SG 3.02Å; Y132-C136 VanDerWaalsContact O-CB 3.31Å; Y132-C136 WeakPolarHBondContact O-CB 3.37Å; Y132-C136 PolarHBondContact O-N 2.94Å; C136-S138 VanDerWaalsContact C-N 3.27Å; C136-S138 PolarHBondContact O-N 3.01Å; C136-A139 PolarHBondContact O-N 3.18Å; C136-A139 VanDerWaalsContact O-N 3.17Å; C136-L140 WeakPolarHBondContact O-CB 3.22Å; C136-L140 WeakPolarHBondContact O-CD1 3.44Å; C136-L140 WeakPolarHBondContact O-CG 3.43Å; C136-L140 PolarHBondContact O-N 3.02Å; C136-L140 VanDerWaalsContact SG-CD1 3.55Å; C136-H179 PolarHBondContact SG-CE1 3.32Å
137	Q	89.3	Confident	83	Confident	70 Å²	70	65.7 Å²	65.7	33%	0.327	31%	0.313	S	S	.	.	H	α-helix	trans	-57	-40.8	172.8	-77	172.6	-19.4	0	0	112.2	L133 K141 C181	L133-Q137 HydrophobicContact CD1-CG 4.49Å; L133-Q137 WeakPolarHBondContact O-CB 3.38Å; L133-Q137 WeakPolarHBondContact O-CG 3.38Å; L133-Q137 PolarHBondContact O-N 2.89Å; Q137-K141 PolarHBondContact O-N 3.11Å; Q137-C181 HydrophobicContact CG-CB 4.16Å; Q137-C181 VanDerWaalsContact CG-O 3.29Å; Q137-C181 WeakPolarHBondContact CG-O 3.33Å; Q137-C181 PolarHBondContact NE2-O 3.41Å
138	S	87.4	Confident	84.2	Confident	70 Å²	70	64.1 Å²	64.1	49%	0.49	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-40.9	176.1	-58.5	0	0	0	0	112	R134 E135 C136 K141 T142	R134-S138 VanDerWaalsContact O-CB 3.3Å; R134-S138 WeakPolarHBondContact O-CB 3.5Å; R134-S138 PolarHBondContact O-N 3.35Å; R134-S138 PolarHBondContact O-OG 3.21Å; E135-S138 PolarHBondContact O-N 3.45Å; C136-S138 VanDerWaalsContact C-N 3.27Å; C136-S138 PolarHBondContact O-N 3.01Å; S138-K141 PolarHBondContact O-N 3.34Å; S138-T142 WeakPolarHBondContact O-CB 3.35Å; S138-T142 PolarHBondContact O-N 3.44Å; S138-T142 PolarHBondContact O-OG1 3.3Å
139	A	89.4	Confident	84.7	Confident	2 Å²	2	64.3 Å²	64.3	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-44.9	175.6	0	0	0	0	0	111.8	I111 F112 E135 C136 K141 T142 M143	I111-A139 HydrophobicContact CG2-CB 3.92Å; F112-A139 HydrophobicContact CB-CB 4.28Å; F112-A139 HydrophobicContact CD2-CB 4.42Å; E135-A139 WeakPolarHBondContact O-CB 3.32Å; E135-A139 PolarHBondContact O-N 3.02Å; C136-A139 PolarHBondContact O-N 3.18Å; C136-A139 VanDerWaalsContact O-N 3.17Å; A139-K141 PolarHBondContact O-N 3.24Å; A139-T142 CarbonylContact O-C 3.41Å; A139-T142 WeakPolarHBondContact O-CA 3.41Å; A139-T142 WeakPolarHBondContact O-CB 3.45Å; A139-T142 PolarHBondContact O-N 3.01Å; A139-T142 VanDerWaalsContact O-N 3.08Å; A139-M143 WeakPolarHBondContact O-CG 3.26Å; A139-M143 PolarHBondContact O-N 3.28Å
140	L	90.2	Very high	85.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-42.9	174.2	-75.1	159	0	0	0	112.1	F112 C136 T142 M143 N144 N175 H179 C181 L182	F112-L140 HydrophobicContact CD2-CD2 4.44Å; F112-L140 HydrophobicContact CE2-CD2 3.67Å; F112-L140 HydrophobicContact CE2-CG 4.21Å; F112-L140 HydrophobicContact CZ-CD2 4.47Å; C136-L140 WeakPolarHBondContact O-CB 3.22Å; C136-L140 WeakPolarHBondContact O-CD1 3.44Å; C136-L140 WeakPolarHBondContact O-CG 3.43Å; C136-L140 PolarHBondContact O-N 3.02Å; C136-L140 VanDerWaalsContact SG-CD1 3.55Å; L140-T142 VanDerWaalsContact C-N 3.32Å; L140-T142 PolarHBondContact O-N 3.45Å; L140-M143 PolarHBondContact O-N 3.48Å; L140-N144 WeakPolarHBondContact O-CB 3.49Å; L140-N144 PolarHBondContact O-N 2.93Å; L140-N144 PolarHBondContact O-ND2 2.79Å; L140-N175 VanDerWaalsContact CD2-O 3.25Å; L140-N175 WeakPolarHBondContact CD2-O 3.46Å; L140-H179 HydrophobicContact CD1-CB 3.73Å; L140-H179 HydrophobicContact CD2-CB 3.99Å; L140-C181 HydrophobicContact CD1-CB 4.23Å; L140-L182 HydrophobicContact CB-CD2 4.15Å; L140-L182 HydrophobicContact CD1-CD2 3.96Å; L140-L182 HydrophobicContact CD1-CG 4.01Å
141	K	88	Confident	85.8	Confident	84 Å²	84	55.6 Å²	55.6	37%	0.365	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-43.5	172.4	-169.1	-176.5	179.1	-175.1	0	110.8	D25 Q137 S138 A139 N144 L145	D25-K141 VanDerWaalsContact CG-NZ 3.3Å; D25-K141 IonicContact OD1-NZ 2.74Å; D25-K141 PolarHBondContact OD1-NZ 2.84Å; D25-K141 VanDerWaalsContact OD1-NZ 3.17Å; D25-K141 IonicContact OD2-NZ 3.07Å; D25-K141 PolarHBondContact OD2-NZ 3.02Å; Q137-K141 PolarHBondContact O-N 3.11Å; S138-K141 PolarHBondContact O-N 3.34Å; A139-K141 PolarHBondContact O-N 3.24Å; K141-N144 PolarHBondContact O-N 3.48Å; K141-L145 HydrophobicContact CG-CD1 3.96Å; K141-L145 WeakPolarHBondContact O-CB 3.49Å; K141-L145 PolarHBondContact O-N 3.17Å
142	T	88.3	Confident	86	Confident	24 Å²	24	55.8 Å²	55.8	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-39.2	-179.7	-52.2	0	0	0	0	112.5	D108 S138 A139 L140 G146	D108-T142 HydrophobicContact CB-CG2 3.84Å; S138-T142 WeakPolarHBondContact O-CB 3.35Å; S138-T142 PolarHBondContact O-N 3.44Å; S138-T142 PolarHBondContact O-OG1 3.3Å; A139-T142 CarbonylContact O-C 3.41Å; A139-T142 WeakPolarHBondContact O-CA 3.41Å; A139-T142 WeakPolarHBondContact O-CB 3.45Å; A139-T142 PolarHBondContact O-N 3.01Å; A139-T142 VanDerWaalsContact O-N 3.08Å; L140-T142 VanDerWaalsContact C-N 3.32Å; L140-T142 PolarHBondContact O-N 3.45Å; T142-G146 WeakPolarHBondContact O-CA 3.37Å; T142-G146 PolarHBondContact O-N 3.31Å
143	M	89.7	Confident	86.2	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.1	-37.8	176.7	-66.6	-68.5	-71.7	0	0	112.5	L95 V109 F112 A139 L140 P148 G149 L150 L176	L95-M143 HydrophobicContact CD1-CE 3.71Å; V109-M143 HydrophobicContact CG2-CE 4.08Å; V109-M143 HydrophobicContact CG2-SD 4.04Å; F112-M143 HydrophobicContact CB-CE 4.42Å; F112-M143 HydrophobicContact CB-CG 3.67Å; F112-M143 HydrophobicContact CB-SD 3.86Å; F112-M143 HydrophobicContact CD1-CE 3.66Å; F112-M143 HydrophobicContact CD1-CG 4.06Å; F112-M143 HydrophobicContact CD1-SD 4.21Å; F112-M143 HydrophobicContact CD2-CG 4.02Å; F112-M143 HydrophobicContact CE1-CE 4.19Å; F112-M143 HydrophobicContact CG-CE 4.2Å; F112-M143 HydrophobicContact CG-CG 3.66Å; F112-M143 HydrophobicContact CG-SD 4.17Å; A139-M143 WeakPolarHBondContact O-CG 3.26Å; A139-M143 PolarHBondContact O-N 3.28Å; L140-M143 PolarHBondContact O-N 3.48Å; M143-P148 HydrophobicContact SD-CG 3.93Å; M143-G149 PolarHBondContact O-N 3.15Å; M143-L150 HydrophobicContact CE-CD1 3.85Å; M143-L150 PolarHBondContact O-N 3.12Å; M143-L176 HydrophobicContact CB-CD2 3.49Å; M143-L176 VanDerWaalsContact CB-CD2 3.49Å; M143-L176 HydrophobicContact CE-CD2 4.37Å; M143-L176 HydrophobicContact CG-CD2 4.19Å
144	N	88.9	Confident	86.4	Confident	18 Å²	18	51.9 Å²	51.9	10%	0.096	25%	0.249	C	C	.	.	H	α-helix	trans	-79.5	-39.7	-178.3	-78.7	-46.8	0	0	0	113.6	L140 K141 G149 K151 L176	L140-N144 WeakPolarHBondContact O-CB 3.49Å; L140-N144 PolarHBondContact O-N 2.93Å; L140-N144 PolarHBondContact O-ND2 2.79Å; K141-N144 PolarHBondContact O-N 3.48Å; N144-G149 CarbonylContact O-C 3.6Å; N144-K151 HydrophobicContact CB-CB 3.97Å; N144-K151 WeakPolarHBondContact O-CB 3.31Å; N144-K151 PolarHBondContact O-N 3.09Å; N144-K151 WeakPolarHBondContact OD1-CA 3.18Å; N144-K151 PolarHBondContact OD1-N 3.02Å; N144-L176 PolarHBondContact ND2-O 3.17Å
145	L	83.4	Confident	86.6	Confident	96 Å²	96	43.4 Å²	43.4	50%	0.503	22%	0.22	S	C	.	.	H	α-helix	trans	-115.8	-16.9	-171.2	-57.6	179.6	0	0	0	114.5	K141 K151	K141-L145 HydrophobicContact CG-CD1 3.96Å; K141-L145 WeakPolarHBondContact O-CB 3.49Å; K141-L145 PolarHBondContact O-N 3.17Å; L145-K151 HydrophobicContact CD2-CD 3.79Å
146	G	82.8	Confident	86.1	Confident	8 Å²	8	42.3 Å²	42.3	8%	0.082	22%	0.217	C	C	.	.	S	Bend	trans	-82.3	-158.1	175.2	0	0	0	0	0	112.4	T142 P148 G149	T142-G146 WeakPolarHBondContact O-CA 3.37Å; T142-G146 PolarHBondContact O-N 3.31Å; G146-P148 VanDerWaalsContact C-N 3.34Å; G146-G149 PolarHBondContact O-N 3.08Å
147	R	80.3	Confident	84.9	Confident	115 Å²	115	47.2 Å²	47.2	43%	0.434	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.8	-176.1	-68	-173.8	-171.5	77.3	4.5	116.2	C105 D108 G149	C105-R147 HydrophobicContact CB-CB 4.47Å; D108-R147 IonicContact OD2-NH1 2.7Å; R147-G149 VanDerWaalsContact C-N 3.27Å; R147-G149 PolarHBondContact O-N 2.98Å
148	P	81.5	Confident	83.8	Confident	8 Å²	8	50 Å²	50	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26	177.3	-18.2	32.1	0	0	0	112.9	M143 G146 L150	M143-P148 HydrophobicContact SD-CG 3.93Å; G146-P148 VanDerWaalsContact C-N 3.34Å; P148-L150 HydrophobicContact CB-CD1 3.94Å; P148-L150 HydrophobicContact CB-CG 3.77Å; P148-L150 WeakPolarHBondContact O-CD2 3.08Å; P148-L150 WeakPolarHBondContact O-CG 3.37Å; P148-L150 PolarHBondContact O-N 2.96Å
149	G	82.9	Confident	82.2	Confident	43 Å²	43	53 Å²	53	44%	0.443	28%	0.28	S	S	.	.			trans	62.3	20.3	172.9	0	0	0	0	0	115.8	M143 N144 G146 R147 K151	M143-G149 PolarHBondContact O-N 3.15Å; N144-G149 CarbonylContact O-C 3.6Å; G146-G149 PolarHBondContact O-N 3.08Å; R147-G149 VanDerWaalsContact C-N 3.27Å; R147-G149 PolarHBondContact O-N 2.98Å; G149-K151 VanDerWaalsContact C-N 3.26Å; G149-K151 PolarHBondContact O-N 3.27Å; G149-K151 VanDerWaalsContact O-N 3.1Å
150	L	88.8	Confident	80.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-76.9	-0.6	-159	-59.8	175	0	0	0	115.5	A94 L95 M143 P148 Y152 C153 L176	A94-L150 HydrophobicContact CB-CD2 3.4Å; L95-L150 HydrophobicContact CD1-CD1 4.45Å; M143-L150 HydrophobicContact CE-CD1 3.85Å; M143-L150 PolarHBondContact O-N 3.12Å; P148-L150 HydrophobicContact CB-CD1 3.94Å; P148-L150 HydrophobicContact CB-CG 3.77Å; P148-L150 WeakPolarHBondContact O-CD2 3.08Å; P148-L150 WeakPolarHBondContact O-CG 3.37Å; P148-L150 PolarHBondContact O-N 2.96Å; L150-Y152 PolarHBondContact O-N 2.99Å; L150-Y152 VanDerWaalsContact O-N 3.11Å; L150-C153 HydrophobicContact CB-CB 4.5Å; L150-C153 HydrophobicContact CD2-CB 4.2Å; L150-C153 PolarHBondContact O-N 2.96Å; L150-C153 VanDerWaalsContact O-N 3.16Å; L150-C153 PolarHBondContact O-SG 2.92Å; L150-L176 HydrophobicContact CB-CD1 3.6Å; L150-L176 HydrophobicContact CD1-CD1 3.56Å; L150-L176 HydrophobicContact CD1-CD2 4.42Å; L150-L176 HydrophobicContact CG-CD1 4.2Å
151	K	85	Confident	79.9	Confident	83 Å²	83	60.8 Å²	60.8	36%	0.361	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36	-176.4	-172.3	178.1	176.2	-157.7	0	113.9	N144 L145 G149 N177	N144-K151 HydrophobicContact CB-CB 3.97Å; N144-K151 WeakPolarHBondContact O-CB 3.31Å; N144-K151 PolarHBondContact O-N 3.09Å; N144-K151 WeakPolarHBondContact OD1-CA 3.18Å; N144-K151 PolarHBondContact OD1-N 3.02Å; L145-K151 HydrophobicContact CD2-CD 3.79Å; G149-K151 VanDerWaalsContact C-N 3.26Å; G149-K151 PolarHBondContact O-N 3.27Å; G149-K151 VanDerWaalsContact O-N 3.1Å; K151-N177 PolarHBondContact O-OD1 2.65Å
152	Y	84.6	Confident	79.5	Confident	155 Å²	155	58.9 Å²	58.9	61%	0.608	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-117	19.1	-176.9	-58	-69.8	0	0	0	112.7	L150	L150-Y152 PolarHBondContact O-N 2.99Å; L150-Y152 VanDerWaalsContact O-N 3.11Å
153	C	87.6	Confident	78.9	Confident	6 Å²	6	64.4 Å²	64.4	4%	0.041	35%	0.35	C	S	.	.			trans	-66.6	146.9	-180	72.3	0	0	0	0	112	I89 C91 L150	I89-C153 WeakPolarHBondContact O-CA 3.24Å; C91-C153 VanDerWaalsContact CA-SG 3.53Å; C91-C153 HydrophobicContact CB-CB 3.82Å; C91-C153 WeakPolarHBondContact CB-SG 3.42Å; C91-C153 WeakPolarHBondContact SG-CB 3.35Å; C91-C153 PolarHBondContact SG-O 3.22Å; C91-C153 CovalentContact SG-SG 2.03Å; C91-C153 PolarHBondContact SG-SG 3.11Å; L150-C153 HydrophobicContact CB-CB 4.5Å; L150-C153 HydrophobicContact CD2-CB 4.2Å; L150-C153 PolarHBondContact O-N 2.96Å; L150-C153 VanDerWaalsContact O-N 3.16Å; L150-C153 PolarHBondContact O-SG 2.92Å
154	I	87.9	Confident	78.2	Confident	29 Å²	29	69.6 Å²	69.6	15%	0.149	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-101.5	158.8	-178.5	50.6	151.7	0	0	0	112.1	R88 I89 D90 C91 D156	R88-I154 HydrophobicContact CB-CD1 3.8Å; R88-I154 HydrophobicContact CB-CG1 4.14Å; R88-I154 HydrophobicContact CB-CG2 4.46Å; R88-I154 HydrophobicContact CG-CG2 4.44Å; I89-I154 VanDerWaalsContact O-CG1 3.25Å; I89-I154 WeakPolarHBondContact O-CG1 3.38Å; I89-I154 PolarHBondContact O-N 3.22Å; D90-I154 WeakPolarHBondContact CA-O 3.39Å; C91-I154 PolarHBondContact N-O 2.82Å; C91-I154 PolarHBondContact SG-O 3.34Å; C91-I154 VanDerWaalsContact SG-O 3.4Å; I154-D156 WeakPolarHBondContact CD1-OD1 3.4Å; I154-D156 WeakPolarHBondContact CD1-OD2 3.28Å
155	C	85.8	Confident	77.9	Confident	18 Å²	18	71.5 Å²	71.5	12%	0.122	39%	0.388	C	S	.	.			trans	-130.8	70.7	172.9	-69	0	0	0	0	108.9	C91 L166 C169	C91-C155 VanDerWaalsContact SG-SG 3.63Å; C155-L166 HydrophobicContact CB-CD1 4.38Å; C155-C169 WeakPolarHBondContact CA-SG 3.27Å; C155-C169 HydrophobicContact CB-CB 3.84Å; C155-C169 WeakPolarHBondContact CB-SG 3.38Å; C155-C169 WeakPolarHBondContact SG-CB 3.36Å; C155-C169 PolarHBondContact SG-O 2.91Å; C155-C169 CovalentContact SG-SG 2.04Å; C155-C169 PolarHBondContact SG-SG 3.05Å
156	D	76.8	Confident	77.7	Confident	59 Å²	59	69.2 Å²	69.2	32%	0.316	38%	0.376	S	S	.	.			trans	-63.9	139.6	-178.7	-72.1	-13.9	0	0	0	111.3	I154 R158 R161	I154-D156 WeakPolarHBondContact CD1-OD1 3.4Å; I154-D156 WeakPolarHBondContact CD1-OD2 3.28Å; D156-R158 HydrophobicContact CB-CG 3.66Å; D156-R158 PolarHBondContact O-N 3.31Å; D156-R158 IonicContact OD2-CZ 3.84Å; D156-R158 IonicContact OD2-NE 3.78Å; D156-R158 PolarHBondContact OD2-NE 2.74Å; D156-R158 IonicContact OD2-NH2 3.71Å; D156-R158 PolarHBondContact OD2-NH2 3.47Å; D156-R161 WeakPolarHBondContact O-CD 3.49Å; D156-R161 PolarHBondContact O-NH1 2.81Å; D156-R161 VanDerWaalsContact O-NH1 3.16Å
157	S	64	Low	77.6	Confident	103 Å²	103	72.8 Å²	72.8	72%	0.72	40%	0.397	S	S	*	.			trans	-80.5	51.4	168.2	50.5	0	0	0	0	112.1
158	R	65.5	Low	77.9	Confident	128 Å²	128	71.5 Å²	71.5	48%	0.483	39%	0.394	S	S	.	.			trans	-62.8	141.8	175.3	-59.1	-174.9	-173.2	171.5	5.8	109.8	D156 S160 R161	D156-R158 HydrophobicContact CB-CG 3.66Å; D156-R158 PolarHBondContact O-N 3.31Å; D156-R158 IonicContact OD2-CZ 3.84Å; D156-R158 IonicContact OD2-NE 3.78Å; D156-R158 PolarHBondContact OD2-NE 2.74Å; D156-R158 IonicContact OD2-NH2 3.71Å; D156-R158 PolarHBondContact OD2-NH2 3.47Å; R158-S160 PolarHBondContact O-N 3.13Å; R158-R161 WeakPolarHBondContact O-CB 3.25Å; R158-R161 PolarHBondContact O-N 3.01Å
159	S	54.6	Low	78.2	Confident	135 Å²	135	71.1 Å²	71.1	94%	0.944	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.3	-177.8	54.9	0	0	0	0	115
160	S	61.9	Low	78.2	Confident	110 Å²	110	72.8 Å²	72.8	77%	0.769	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.1	175.6	60.4	0	0	0	0	114.4	R158	R158-S160 PolarHBondContact O-N 3.13Å
161	R	69.8	Low	78	Confident	55 Å²	55	73.5 Å²	73.5	21%	0.208	39%	0.394	C	S	.	.	S	Bend	trans	-92.6	132.1	-177	165.6	168.4	-95.8	157.7	-2.3	110.6	D90 D156 R158 D165 L166	D90-R161 IonicContact OD1-CZ 3.23Å; D90-R161 IonicContact OD1-NH1 3.38Å; D90-R161 IonicContact OD1-NH2 3.26Å; D90-R161 PolarHBondContact OD1-NH2 2.93Å; D90-R161 IonicContact OD2-CZ 3.5Å; D90-R161 IonicContact OD2-NH1 3.3Å; D90-R161 PolarHBondContact OD2-NH1 3.33Å; D90-R161 IonicContact OD2-NH2 3.56Å; D90-R161 PolarHBondContact OD2-NH2 2.72Å; D156-R161 WeakPolarHBondContact O-CD 3.49Å; D156-R161 PolarHBondContact O-NH1 2.81Å; D156-R161 VanDerWaalsContact O-NH1 3.16Å; R158-R161 WeakPolarHBondContact O-CB 3.25Å; R158-R161 PolarHBondContact O-N 3.01Å; R161-D165 HydrophobicContact CG-CB 4.18Å; R161-L166 HydrophobicContact CG-CB 4.08Å
162	S	78.6	Confident	78.2	Confident	44 Å²	44	69.6 Å²	69.6	31%	0.308	38%	0.377	S	S	.	.			trans	-67.9	156.6	173.6	79.6	0	0	0	0	111.6	D164 D165 L166	S162-D164 PolarHBondContact O-N 3.1Å; S162-D164 PolarHBondContact OG-N 2.6Å; S162-D165 PolarHBondContact O-N 3.43Å; S162-D165 WeakPolarHBondContact OG-CB 3.45Å; S162-D165 PolarHBondContact OG-N 2.98Å; S162-D165 PolarHBondContact OG-OD2 3.23Å; S162-L166 PolarHBondContact O-N 3.07Å
163	I	75.9	Confident	78.3	Confident	140 Å²	140	67.9 Å²	67.9	72%	0.718	37%	0.37	S	S	*	.	H	α-helix	trans	-60.4	-37.6	174.2	-63.5	172.5	0	0	0	110.1	L166 T167	I163-L166 PolarHBondContact O-N 3.17Å; I163-T167 WeakPolarHBondContact O-CB 3.31Å; I163-T167 PolarHBondContact O-N 3.04Å; I163-T167 PolarHBondContact O-OG1 2.04Å
164	D	76.4	Confident	78.1	Confident	108 Å²	108	72 Å²	72	58%	0.578	39%	0.387	S	S	*	.	H	α-helix	trans	-64.9	-41.9	178.5	-56.2	-34.9	0	0	0	111.5	S162 T167 K168	S162-D164 PolarHBondContact O-N 3.1Å; S162-D164 PolarHBondContact OG-N 2.6Å; D164-T167 WeakPolarHBondContact O-CB 3.36Å; D164-T167 PolarHBondContact O-N 3.37Å; D164-K168 VanDerWaalsContact O-CG 3.25Å; D164-K168 WeakPolarHBondContact O-CG 3.43Å; D164-K168 PolarHBondContact O-N 3.18Å
165	D	81.5	Confident	77.9	Confident	58 Å²	58	71 Å²	71	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-75.1	-32	179.3	-57.9	-42.5	0	0	0	112.1	L92 R161 S162 T167 K168 C169	L92-D165 HydrophobicContact CD1-CB 4.12Å; L92-D165 WeakPolarHBondContact CD1-O 3.41Å; R161-D165 HydrophobicContact CG-CB 4.18Å; S162-D165 PolarHBondContact O-N 3.43Å; S162-D165 WeakPolarHBondContact OG-CB 3.45Å; S162-D165 PolarHBondContact OG-N 2.98Å; S162-D165 PolarHBondContact OG-OD2 3.23Å; D165-T167 VanDerWaalsContact C-N 3.29Å; D165-K168 IonicContact OD1-NZ 2.93Å; D165-K168 PolarHBondContact OD1-NZ 3.39Å; D165-C169 WeakPolarHBondContact O-CB 3.31Å; D165-C169 PolarHBondContact O-N 3.02Å
166	L	80	Confident	77.8	Confident	48 Å²	48	70.1 Å²	70.1	25%	0.251	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-38.8	168.6	-171.9	58.6	0	0	0	111.1	C155 R161 S162 I163 C169 N170	C155-L166 HydrophobicContact CB-CD1 4.38Å; R161-L166 HydrophobicContact CG-CB 4.08Å; S162-L166 PolarHBondContact O-N 3.07Å; I163-L166 PolarHBondContact O-N 3.17Å; L166-C169 PolarHBondContact O-N 2.03Å; L166-N170 WeakPolarHBondContact O-CB 3.38Å; L166-N170 PolarHBondContact O-N 2.99Å; L166-N170 PolarHBondContact O-ND2 2.7Å
167	T	80.6	Confident	78	Confident	84 Å²	84	70 Å²	70	52%	0.515	38%	0.375	S	S	.	.	H	α-helix	trans	-66	-49.7	176.5	-56.2	0	0	0	0	111.2	I163 D164 D165 C169 N170 L171	I163-T167 WeakPolarHBondContact O-CB 3.31Å; I163-T167 PolarHBondContact O-N 3.04Å; I163-T167 PolarHBondContact O-OG1 2.04Å; D164-T167 WeakPolarHBondContact O-CB 3.36Å; D164-T167 PolarHBondContact O-N 3.37Å; D165-T167 VanDerWaalsContact C-N 3.29Å; T167-C169 VanDerWaalsContact C-N 3.32Å; T167-C169 PolarHBondContact O-N 2.67Å; T167-N170 PolarHBondContact O-N 3.08Å; T167-L171 WeakPolarHBondContact O-CB 3.2Å; T167-L171 PolarHBondContact O-N 2.92Å
168	K	85.7	Confident	78.6	Confident	88 Å²	88	71 Å²	71	38%	0.383	37%	0.372	S	S	.	.	H	α-helix	trans	-57.1	-42.5	173.8	-69.4	166.7	-152.9	160.3	0	112.2	L92 W119 D164 D165 L171 L172	L92-K168 HydrophobicContact CD1-CB 4.15Å; L92-K168 HydrophobicContact CD2-CB 4.36Å; W119-K168 HydrophobicContact CZ3-CB 4.31Å; D164-K168 VanDerWaalsContact O-CG 3.25Å; D164-K168 WeakPolarHBondContact O-CG 3.43Å; D164-K168 PolarHBondContact O-N 3.18Å; D165-K168 IonicContact OD1-NZ 2.93Å; D165-K168 PolarHBondContact OD1-NZ 3.39Å; K168-L171 PolarHBondContact O-N 2.83Å; K168-L172 WeakPolarHBondContact O-CB 3.35Å; K168-L172 PolarHBondContact O-N 3.14Å
169	C	87.2	Confident	79.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.2	-48.2	178.6	-167.5	0	0	0	0	111.3	L92 C155 D165 L166 T167 L171 L172 R173	L92-C169 HydrophobicContact CD1-CB 3.82Å; L92-C169 HydrophobicContact CG-CB 3.8Å; C155-C169 WeakPolarHBondContact CA-SG 3.27Å; C155-C169 HydrophobicContact CB-CB 3.84Å; C155-C169 WeakPolarHBondContact CB-SG 3.38Å; C155-C169 WeakPolarHBondContact SG-CB 3.36Å; C155-C169 PolarHBondContact SG-O 2.91Å; C155-C169 CovalentContact SG-SG 2.04Å; C155-C169 PolarHBondContact SG-SG 3.05Å; D165-C169 WeakPolarHBondContact O-CB 3.31Å; D165-C169 PolarHBondContact O-N 3.02Å; L166-C169 PolarHBondContact O-N 2.03Å; T167-C169 VanDerWaalsContact C-N 3.32Å; T167-C169 PolarHBondContact O-N 2.67Å; C169-L171 VanDerWaalsContact C-N 3.32Å; C169-L171 PolarHBondContact O-N 2.99Å; C169-L172 PolarHBondContact O-N 2.82Å; C169-R173 WeakPolarHBondContact O-CB 3.41Å; C169-R173 PolarHBondContact O-N 2.93Å
170	N	83.6	Confident	80.8	Confident	77 Å²	77	61.2 Å²	61.2	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-35.4	177.7	-73.7	-39.5	0	0	0	112.2	L166 T167 R173 K174	L166-N170 WeakPolarHBondContact O-CB 3.38Å; L166-N170 PolarHBondContact O-N 2.99Å; L166-N170 PolarHBondContact O-ND2 2.7Å; T167-N170 PolarHBondContact O-N 3.08Å; N170-R173 PolarHBondContact O-N 3.27Å; N170-K174 VanDerWaalsContact O-CB 3.29Å; N170-K174 WeakPolarHBondContact O-CB 3.49Å; N170-K174 PolarHBondContact O-N 2.93Å
171	L	85.4	Confident	81.8	Confident	16 Å²	16	56 Å²	56	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-51.4	173.5	-173.9	57.8	0	0	0	111	W119 E122 L125 T167 K168 C169 R173 K174 N175	W119-L171 WeakPolarHBondContact O-CD2 3.02Å; W119-L171 WeakPolarHBondContact O-CG 3.38Å; E122-L171 HydrophobicContact CG-CD1 3.89Å; E122-L171 HydrophobicContact CG-CD2 3.89Å; L125-L171 HydrophobicContact CD1-CD1 3.76Å; L125-L171 HydrophobicContact CD1-CD2 4.16Å; L125-L171 HydrophobicContact CD1-CG 3.99Å; T167-L171 WeakPolarHBondContact O-CB 3.2Å; T167-L171 PolarHBondContact O-N 2.92Å; K168-L171 PolarHBondContact O-N 2.83Å; C169-L171 VanDerWaalsContact C-N 3.32Å; C169-L171 PolarHBondContact O-N 2.99Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 2.73Å; L171-K174 HydrophobicContact CD1-CD 4.3Å; L171-K174 WeakPolarHBondContact O-CB 3.03Å; L171-K174 PolarHBondContact O-N 2.84Å; L171-K174 VanDerWaalsContact O-N 3.14Å; L171-N175 PolarHBondContact O-N 2.91Å; L171-N175 PolarHBondContact O-ND2 2.88Å; L171-N175 PolarHBondContact O-OD1 3.06Å
172	L	88.7	Confident	82.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-51.7	-49.5	173	176.8	59.3	0	0	0	111.8	C91 L92 L95 F112 W119 K168 C169 K174 N175 L176	C91-L172 HydrophobicContact CB-CD2 3.96Å; C91-L172 WeakPolarHBondContact O-CD2 3.48Å; L92-L172 HydrophobicContact CD2-CD2 3.96Å; L95-L172 HydrophobicContact CB-CD2 4.13Å; L95-L172 HydrophobicContact CD2-CD1 3.9Å; L95-L172 HydrophobicContact CD2-CD2 3.57Å; L95-L172 HydrophobicContact CD2-CG 4.39Å; L95-L172 HydrophobicContact CG-CD2 4.48Å; F112-L172 HydrophobicContact CE1-CD1 4.49Å; W119-L172 HydrophobicContact CB-CD1 4.27Å; W119-L172 HydrophobicContact CD2-CB 4.47Å; W119-L172 HydrophobicContact CD2-CD1 3.87Å; W119-L172 HydrophobicContact CE3-CB 3.68Å; W119-L172 HydrophobicContact CE3-CD1 3.95Å; W119-L172 HydrophobicContact CE3-CG 4.25Å; W119-L172 HydrophobicContact CG-CD1 4Å; W119-L172 HydrophobicContact CZ3-CB 3.95Å; W119-L172 HydrophobicContact CZ3-CD2 4.41Å; K168-L172 WeakPolarHBondContact O-CB 3.35Å; K168-L172 PolarHBondContact O-N 3.14Å; C169-L172 PolarHBondContact O-N 2.82Å; L172-K174 PolarHBondContact O-N 3.35Å; L172-N175 PolarHBondContact O-N 3.15Å; L172-N175 VanDerWaalsContact O-N 3.13Å; L172-L176 HydrophobicContact CD1-CD1 3.67Å; L172-L176 HydrophobicContact CD1-CG 4.07Å; L172-L176 HydrophobicContact CG-CD1 3.77Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.02Å
173	R	86.7	Confident	81.5	Confident	120 Å²	120	58.2 Å²	58.2	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-38	179.8	-172.9	176	171.8	-161.6	-1.2	112.7	C169 N170 L171 N177	C169-R173 WeakPolarHBondContact O-CB 3.41Å; C169-R173 PolarHBondContact O-N 2.93Å; N170-R173 PolarHBondContact O-N 3.27Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 2.73Å; R173-N177 WeakPolarHBondContact O-CB 2.99Å; R173-N177 PolarHBondContact O-N 2.82Å; R173-N177 PolarHBondContact O-ND2 3.38Å
174	K	83	Confident	80.1	Confident	93 Å²	93	59 Å²	59	40%	0.404	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-42.6	171.6	176.5	-171.4	175.2	-167.8	0	110.9	E122 N170 L171 L172 L176 N178	E122-K174 IonicContact OE1-NZ 3.62Å; N170-K174 VanDerWaalsContact O-CB 3.29Å; N170-K174 WeakPolarHBondContact O-CB 3.49Å; N170-K174 PolarHBondContact O-N 2.93Å; L171-K174 HydrophobicContact CD1-CD 4.3Å; L171-K174 WeakPolarHBondContact O-CB 3.03Å; L171-K174 PolarHBondContact O-N 2.84Å; L171-K174 VanDerWaalsContact O-N 3.14Å; L172-K174 PolarHBondContact O-N 3.35Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.42Å; K174-N178 CarbonylContact O-C 3.59Å; K174-N178 VanDerWaalsContact O-CA 3.31Å; K174-N178 WeakPolarHBondContact O-CA 3.36Å; K174-N178 WeakPolarHBondContact O-CB 3.4Å; K174-N178 PolarHBondContact O-N 3.01Å
175	N	83.2	Confident	78.3	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.032	31%	0.305	C	S	.	.	H	α-helix	trans	-71.6	-27.5	-178.7	-58	-24.2	0	0	0	113.5	F112 W119 L125 L140 L171 L172 H179	F112-N175 HydrophobicContact CZ-CB 4.39Å; W119-N175 WeakPolarHBondContact CA-ND2 3.33Å; W119-N175 PolarHBondContact O-ND2 3.27Å; L125-N175 VanDerWaalsContact CD1-CG 3.48Å; L125-N175 WeakPolarHBondContact CD1-ND2 3.01Å; L125-N175 VanDerWaalsContact CD1-OD1 3.3Å; L125-N175 WeakPolarHBondContact CD1-OD1 3.01Å; L125-N175 HydrophobicContact CD2-CB 4.08Å; L125-N175 VanDerWaalsContact CD2-CG 3.44Å; L140-N175 VanDerWaalsContact CD2-O 3.25Å; L140-N175 WeakPolarHBondContact CD2-O 3.46Å; L171-N175 PolarHBondContact O-N 2.91Å; L171-N175 PolarHBondContact O-ND2 2.88Å; L171-N175 PolarHBondContact O-OD1 3.06Å; L172-N175 PolarHBondContact O-N 3.15Å; L172-N175 VanDerWaalsContact O-N 3.13Å; N175-H179 WeakPolarHBondContact O-CB 3.36Å
176	L	85.6	Confident	75.9	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-84.2	-32.2	179.1	-70.2	166.1	0	0	0	113.1	F112 M143 N144 L150 L172 K174 L182	F112-L176 HydrophobicContact CE1-CD2 4.23Å; F112-L176 HydrophobicContact CE2-CD2 4.38Å; F112-L176 HydrophobicContact CZ-CD2 3.95Å; M143-L176 HydrophobicContact CB-CD2 3.49Å; M143-L176 VanDerWaalsContact CB-CD2 3.49Å; M143-L176 HydrophobicContact CE-CD2 4.37Å; M143-L176 HydrophobicContact CG-CD2 4.19Å; N144-L176 PolarHBondContact ND2-O 3.17Å; L150-L176 HydrophobicContact CB-CD1 3.6Å; L150-L176 HydrophobicContact CD1-CD1 3.56Å; L150-L176 HydrophobicContact CD1-CD2 4.42Å; L150-L176 HydrophobicContact CG-CD1 4.2Å; L172-L176 HydrophobicContact CD1-CD1 3.67Å; L172-L176 HydrophobicContact CD1-CG 4.07Å; L172-L176 HydrophobicContact CG-CD1 3.77Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.02Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.42Å; L176-L182 WeakPolarHBondContact O-CD1 3.37Å
177	N	79.3	Confident	73.6	Confident	56 Å²	56	65.5 Å²	65.5	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-108.8	-27.4	-172.4	-65.3	-80.2	0	0	0	114	K151 R173 L182	K151-N177 PolarHBondContact O-OD1 2.65Å; R173-N177 WeakPolarHBondContact O-CB 2.99Å; R173-N177 PolarHBondContact O-N 2.82Å; R173-N177 PolarHBondContact O-ND2 3.38Å; N177-L182 WeakPolarHBondContact O-CD1 3.49Å
178	N	78	Confident	71	Confident	125 Å²	125	70.7 Å²	70.7	67%	0.668	37%	0.366	S	S	*	.	S	Bend	trans	-124.2	27.9	-175.2	-59.5	-21.2	0	0	0	112	K174	K174-N178 CarbonylContact O-C 3.59Å; K174-N178 VanDerWaalsContact O-CA 3.31Å; K174-N178 WeakPolarHBondContact O-CA 3.36Å; K174-N178 WeakPolarHBondContact O-CB 3.4Å; K174-N178 PolarHBondContact O-N 3.01Å
179	H	84.4	Confident	68.4	Low	5 Å²	5	72.7 Å²	72.7	2%	0.023	38%	0.381	C	S	.	.			trans	-61.6	142.5	178.2	-158.1	-95.8	0	0	0	111.4	C116 C136 L140 N175 C181 L182	C116-H179 PolarHBondContact O-NE2 2.91Å; C136-H179 PolarHBondContact SG-CE1 3.32Å; L140-H179 HydrophobicContact CD1-CB 3.73Å; L140-H179 HydrophobicContact CD2-CB 3.99Å; N175-H179 WeakPolarHBondContact O-CB 3.36Å; H179-C181 WeakPolarHBondContact ND1-CB 3.37Å; H179-C181 PolarHBondContact ND1-N 3.37Å; H179-C181 VanDerWaalsContact ND1-N 3.15Å; H179-C181 PolarHBondContact O-N 3.35Å; H179-L182 HydrophobicContact CB-CD1 4.13Å; H179-L182 HydrophobicContact CB-CG 4.06Å; H179-L182 WeakPolarHBondContact O-CB 3.39Å; H179-L182 PolarHBondContact O-N 3.33Å
180	P	80.5	Confident	65.6	Low	52 Å²	52	83 Å²	83	34%	0.338	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.3	175.2	-27.2	36.2	0	0	0	114.9	C128	C128-P180 HydrophobicContact CB-CB 3.99Å
181	C	82.7	Confident	63	Low	2 Å²	2	85.9 Å²	85.9	1%	0.014	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10	173.2	-62.1	0	0	0	0	114.9	C128 L133 Q137 L140 H179	C128-C181 WeakPolarHBondContact CA-SG 3.4Å; C128-C181 HydrophobicContact CB-CB 4.04Å; C128-C181 WeakPolarHBondContact CB-SG 3.5Å; C128-C181 WeakPolarHBondContact SG-CA 3.06Å; C128-C181 WeakPolarHBondContact SG-CB 3.42Å; C128-C181 CovalentContact SG-SG 2.03Å; C128-C181 PolarHBondContact SG-SG 3.14Å; L133-C181 HydrophobicContact CD1-CB 4.32Å; Q137-C181 HydrophobicContact CG-CB 4.16Å; Q137-C181 VanDerWaalsContact CG-O 3.29Å; Q137-C181 WeakPolarHBondContact CG-O 3.33Å; Q137-C181 PolarHBondContact NE2-O 3.41Å; L140-C181 HydrophobicContact CD1-CB 4.23Å; H179-C181 WeakPolarHBondContact ND1-CB 3.37Å; H179-C181 PolarHBondContact ND1-N 3.37Å; H179-C181 VanDerWaalsContact ND1-N 3.15Å; H179-C181 PolarHBondContact O-N 3.35Å
182	L	78.4	Confident	60.4	Low	81 Å²	81	91 Å²	91	42%	0.424	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-22.6	175.3	-64.4	174.6	0	0	0	112.6	L140 L176 N177 H179	L140-L182 HydrophobicContact CB-CD2 4.15Å; L140-L182 HydrophobicContact CD1-CD2 3.96Å; L140-L182 HydrophobicContact CD1-CG 4.01Å; L176-L182 WeakPolarHBondContact O-CD1 3.37Å; N177-L182 WeakPolarHBondContact O-CD1 3.49Å; H179-L182 HydrophobicContact CB-CD1 4.13Å; H179-L182 HydrophobicContact CB-CG 4.06Å; H179-L182 WeakPolarHBondContact O-CB 3.39Å; H179-L182 PolarHBondContact O-N 3.33Å
183	A	65.3	Low	57.6	Low	64 Å²	64	99.9 Å²	99.9	53%	0.529	50%	0.499	S	S	.	.	S	Bend	trans	-70.1	130.1	165.3	0	0	0	0	0	108.8
184	E	46.9	Very low	54.8	Low	155 Å²	155	100 Å²	100	72%	0.724	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-60.4	135.9	166	-66.3	-174.1	116.9	0	0	109.1
185	P	37	Very low	52.4	Low	84 Å²	84	101.6 Å²	101.6	55%	0.545	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-61.5	134.1	176.3	26.1	-33.3	0	0	0	109.1	I187	P185-I187 PolarHBondContact O-N 2.98Å
186	P	31.1	Very low	49.8	Very low	104 Å²	104	104.2 Å²	104.2	68%	0.675	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-57.3	139.8	179.6	23.2	-33.3	0	0	0	110.3	F188	P186-F188 PolarHBondContact O-N 3.45Å
187	I	31.2	Very low	47.2	Very low	164 Å²	164	112.4 Å²	112.4	84%	0.841	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	29.6	-159	-52.3	164.2	0	0	0	113.3	P185	P185-I187 PolarHBondContact O-N 2.98Å
188	F	26.9	Very low	44.7	Very low	192 Å²	192	119.3 Å²	119.3	84%	0.842	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	-1.5	-170.5	-73	-74	0	0	0	115.5	P186 R190	P186-F188 PolarHBondContact O-N 3.45Å; F188-R190 PolarHBondContact O-N 3.4Å
189	L	31.2	Very low	42.5	Very low	131 Å²	131	124.6 Å²	124.6	69%	0.686	65%	0.646	S	S	*	*			trans	-91.3	78.7	173.3	-104.5	71.9	0	0	0	112.6	E191	L189-E191 PolarHBondContact O-N 3.22Å
190	R	28.6	Very low	39.9	Very low	216 Å²	216	132.4 Å²	132.4	82%	0.815	68%	0.682	S	S	*	*			trans	-43.2	132.9	161.1	-97.4	175.1	164.6	171.1	-4.8	111.1	F188 L192	F188-R190 PolarHBondContact O-N 3.4Å; R190-L192 HydrophobicContact CB-CD1 4.09Å; R190-L192 PolarHBondContact O-N 2.86Å
191	E	29.3	Very low	37.6	Very low	137 Å²	137	136.8 Å²	136.8	64%	0.64	70%	0.698	S	S	*	*			trans	-83.3	101.3	153.1	-71.2	-170.4	175.2	0	0	108.1	R130 L189 H193	R130-E191 IonicContact CZ-OE1 3.25Å; R130-E191 VanDerWaalsContact CZ-OE1 3.25Å; R130-E191 IonicContact NE-OE1 3.09Å; R130-E191 PolarHBondContact NE-OE1 3.01Å; R130-E191 VanDerWaalsContact NE-OE1 3.09Å; R130-E191 VanDerWaalsContact NH2-CD 3.34Å; R130-E191 IonicContact NH2-OE1 2.68Å; R130-E191 PolarHBondContact NH2-OE1 3.4Å; L189-E191 PolarHBondContact O-N 3.22Å; E191-H193 PolarHBondContact O-N 2.99Å
192	L	30.6	Very low	35.2	Very low	124 Å²	124	141.2 Å²	141.2	65%	0.649	73%	0.727	S	S	*	*			trans	-70.4	116.9	163.5	-108.1	72.9	0	0	0	107.6	R190 T194	R190-L192 HydrophobicContact CB-CD1 4.09Å; R190-L192 PolarHBondContact O-N 2.86Å; L192-T194 HydrophobicContact CB-CG2 4.42Å; L192-T194 PolarHBondContact O-N 3.12Å
193	H	29.7	Very low	33	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.866	74%	0.739	S	S	*	*			trans	-65.5	97.4	167.8	-71.2	-92.3	0	0	0	109.7	E191	E191-H193 PolarHBondContact O-N 2.99Å
194	T	27.7	Very low	31.5	Very low	121 Å²	121	149.6 Å²	149.6	74%	0.742	75%	0.748	S	S	*	*			trans	-104.3	65.6	169.4	56.7	0	0	0	0	110.6	L192 G196	L192-T194 HydrophobicContact CB-CG2 4.42Å; L192-T194 PolarHBondContact O-N 3.12Å; T194-G196 PolarHBondContact O-N 3.27Å
195	S	33.5	Very low	30.6	Very low	127 Å²	127	149 Å²	149	89%	0.888	75%	0.745	S	S	*	*			trans	-72.9	113.1	154.5	-169	0	0	0	0	106.9
196	G	27.8	Very low	30.4	Very low	61 Å²	61	151.2 Å²	151.2	63%	0.629	75%	0.752	S	S	*	*			trans	-85	143.8	-167.5	0	0	0	0	0	113.4	T194	T194-G196 PolarHBondContact O-N 3.27Å
197	N	31.9	Very low	30.4	Very low	172 Å²	172	153.3 Å²	153.3	92%	0.92	75%	0.75	S	S	*	*			trans	-124.3	105.4	153.4	-117.6	-29.6	0	0	0	108.4
198	F	26.2	Very low	30.3	Very low	201 Å²	201	151.7 Å²	151.7	88%	0.882	75%	0.751	S	S	*	*			trans	-73.6	132.2	177.2	-93.3	-101.8	0	0	0	110.7
199	R	31.9	Very low	30.7	Very low	237 Å²	237	150.1 Å²	150.1	89%	0.894	75%	0.746	S	S	*	*			trans	-162	149	139.8	-108.9	157.8	-167.5	-157.9	2.3	113
200	H	30.3	Very low	30.9	Very low	168 Å²	168	149 Å²	149	78%	0.778	75%	0.749	S	S	*	*			trans	-46.4	150.8	-176.7	-43.4	-77.9	0	0	0	114.1
201	E	30.5	Very low	31.3	Very low	144 Å²	144	148.9 Å²	148.9	67%	0.673	75%	0.754	S	S	*	*				-157.3	148.4	59.4	-111.8	-73.6	103.6	0	0	112.3	K203	E201-K203 IonicContact OE1-NZ 3.56Å; E201-K203 IonicContact OE2-NZ 2.76Å; E201-K203 PolarHBondContact OE2-NZ 2.86Å
202	P	33.9	Very low	31.4	Very low	96 Å²	96	146.6 Å²	146.6	62%	0.623	76%	0.759	S	S	*	*			trans	-117	125.2	173.6	36.1	-24.2	0	0	0	114.3
203	K	30.5	Very low	31.6	Very low	157 Å²	157	147.7 Å²	147.7	68%	0.683	77%	0.771	S	S	*	*			trans	-160.5	131.3	155.2	-91.5	117.4	-150.8	164.4	0	114.7	E201	E201-K203 IonicContact OE1-NZ 3.56Å; E201-K203 IonicContact OE2-NZ 2.76Å; E201-K203 PolarHBondContact OE2-NZ 2.86Å
204	K	34.8	Very low	31.9	Very low	163 Å²	163	147.7 Å²	147.7	71%	0.709	77%	0.771	S	S	*	*			trans	71.9	122.7	135.2	-68.8	-179.3	160.2	-100.7	0	121.9
205	E	29	Very low	32.4	Very low	142 Å²	142	147.7 Å²	147.7	66%	0.664	78%	0.776	S	S	*	*				51.3	139.2	115.4	-56.9	172	127.7	0	0	119.1
206	L	30.8	Very low	32.6	Very low	132 Å²	132	145.1 Å²	145.1	69%	0.691	76%	0.763	S	S	*	*			cis	-162.7	157.7	22.7	-156.3	76.9	0	0	0	111.9
207	K	31.2	Very low	33.2	Very low	147 Å²	147	148.8 Å²	148.8	64%	0.639	77%	0.768	S	S	*	*			trans	54.9	127.5	157.7	-82.6	179	174.4	-164.7	0	121.2	E209	K207-E209 HydrophobicContact CD-CG 4.37Å; K207-E209 IonicContact NZ-OE1 2.72Å; K207-E209 PolarHBondContact NZ-OE1 3.04Å
208	P	29.3	Very low	33.5	Very low	131 Å²	131	147 Å²	147	85%	0.851	76%	0.758	S	S	*	*			trans	-90.9	147.4	136	35.2	-29.1	0	0	0	110.8
209	E	36.1	Very low	34.1	Very low	159 Å²	159	144.5 Å²	144.5	74%	0.743	75%	0.751	S	S	*	*			trans	-114.3	157.1	172	-87.7	-174	-173.2	0	0	113.3	K207	K207-E209 HydrophobicContact CD-CG 4.37Å; K207-E209 IonicContact NZ-OE1 2.72Å; K207-E209 PolarHBondContact NZ-OE1 3.04Å
210	S	35.2	Very low	34.4	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	74%	0.742	S	S	*	*			trans	-93.3	164.3	-160	60.3	0	0	0	0	114.3
211	K	36.2	Very low	34.7	Very low	213 Å²	213	136.3 Å²	136.3	93%	0.926	74%	0.735	S	S	*	*			trans	-146.2	139.1	132.3	-108.7	161.4	-169.4	174.8	0	109.8
212	A	32.6	Very low	35.1	Very low	88 Å²	88	136 Å²	136	73%	0.727	74%	0.738	S	S	*	*			trans	-132.6	163	-178.3	0	0	0	0	0	110
213	T	33.8	Very low	35	Very low	147 Å²	147	139.1 Å²	139.1	90%	0.902	75%	0.746	S	S	*	*			trans	-141	156.3	163.5	-55.4	0	0	0	0	107.9
214	Q	37.7	Very low	35.2	Very low	187 Å²	187	140.7 Å²	140.7	87%	0.874	75%	0.753	S	S	*	*			trans	-109.3	177.9	-144.5	-59.9	165.8	-4.2	0	0	114.2
215	S	37.6	Very low	34.9	Very low	122 Å²	122	143.5 Å²	143.5	85%	0.853	76%	0.759	S	S	*	*			trans	104.7	129.7	158.9	-160.5	0	0	0	0	116.4
216	A	37.9	Very low	35.1	Very low	73 Å²	73	144.5 Å²	144.5	60%	0.603	77%	0.768	S	S	*	*			cis	-164.9	161.1	-18.6	0	0	0	0	0	112.6
217	N	39.8	Very low	34.9	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	77%	0.768	S	S	*	*			trans	71.6	108.8	150.3	-60.7	-19.7	0	0	0	122.7
218	N	39.3	Very low	34.8	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	77%	0.774	S	S	*	*				69.9	148.7	125.1	-62.9	-12	0	0	0	120.5
219	M	38	Very low	34.9	Very low	149 Å²	149	143.4 Å²	143.4	73%	0.734	77%	0.772	S	S	*	*			cis	-156.7	144.5	8.1	-133.7	179.8	-168.4	0	0	112.4
220	N	37.9	Very low	34.5	Very low	130 Å²	130	141 Å²	141	70%	0.695	77%	0.773	S	S	*	*			trans	50.4	148.4	139.6	-68.8	3.1	0	0	0	122.8
221	T	37.5	Very low	34.1	Very low	103 Å²	103	143.3 Å²	143.3	63%	0.632	78%	0.776	S	S	*	*			cis	-167.4	158.2	-6.5	18.6	0	0	0	0	112.4
222	N	37.7	Very low	33.6	Very low	138 Å²	138	140 Å²	140	74%	0.738	77%	0.767	S	S	*	*			trans	71.6	149	144.4	-71.3	-15.4	0	0	0	121.3
223	M	32.8	Very low	33.4	Very low	161 Å²	161	142.4 Å²	142.4	79%	0.793	77%	0.773	S	S	*	*			cis	-172.1	175.6	-25	-123.9	-70.3	-177.3	0	0	111.9
224	K	34	Very low	33.2	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.826	77%	0.768	S	S	*	*			trans	83.2	88.3	163.1	-70.7	-174.6	178.1	-179.2	0	121.5
225	R	28.6	Very low	33	Very low	223 Å²	223	140.3 Å²	140.3	84%	0.842	76%	0.764	S	S	*	*				-11.1	149.6	129	-67.1	173.5	165.9	171.8	-5.4	118.5
226	L	32.9	Very low	32.5	Very low	163 Å²	163	140 Å²	140	85%	0.853	76%	0.757	S	S	*	*				-155	159.7	101	-132.1	78.1	0	0	0	113
227	N	28	Very low	32.2	Very low	130 Å²	130	142.3 Å²	142.3	70%	0.695	76%	0.763	S	S	*	*			trans	-114.8	165.2	175.3	-57	-9.9	0	0	0	108.9
228	T	28.6	Very low	31.8	Very low	123 Å²	123	141 Å²	141	76%	0.755	77%	0.765	S	S	*	*				162.5	149.2	106.7	46.1	0	0	0	0	115.2
229	T	31.1	Very low	31.6	Very low	134 Å²	134	139 Å²	139	82%	0.822	76%	0.761	S	S	*	*			trans	65.6	130.5	148.3	41.8	0	0	0	0	122.9
230	S	27.9	Very low	31.5	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	77%	0.765	S	S	*	*			trans	-78.3	153.1	162.4	-26.2	0	0	0	0	112.6
231	L	26.4	Very low	31.3	Very low	156 Å²	156	138 Å²	138	82%	0.817	76%	0.762	S	S	*	*				-177.9	138.4	123	-120.6	69.9	0	0	0	113.7
232	L	25.5	Very low	30.9	Very low	143 Å²	143	140.9 Å²	140.9	75%	0.749	77%	0.771	S	S	*	*			trans	25.3	144.3	144.6	-62.3	170.2	0	0	0	124.7
233	T	29.4	Very low	30.6	Very low	139 Å²	139	139.6 Å²	139.6	85%	0.853	77%	0.768	S	S	*	*			trans	79.2	138.2	145.1	39.3	0	0	0	0	122.5
234	E	28.3	Very low	30.4	Very low	168 Å²	168	138.2 Å²	138.2	79%	0.785	77%	0.769	S	S	*	*			trans	-81.3	172.9	173.7	-51.3	-174.8	166.6	0	0	113.2
235	P	33.5	Very low	30.1	Very low	122 Å²	122	133.5 Å²	133.5	79%	0.792	77%	0.765	S	S	*	*				-149.4	137.8	88.9	36.3	-17.5	0	0	0	118.7
236	V	27.1	Very low	29.9	Very low	116 Å²	116	128.5 Å²	128.5	70%	0.703	76%	0.764	S	S	*	*			trans	27.9	135.6	131	-150.2	0	0	0	0	122.3
237	V	31.7	Very low	29.9	Very low	122 Å²	122	126.6 Å²	126.6	74%	0.739	76%	0.762	S	S	*	*				150.4	122.5	124.7	167.5	0	0	0	0	115.2
238	S	31.1	Very low	29.9	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	77%	0.77	S	S	*	*			trans	67	146.4	155.6	-72.2	0	0	0	0	122.4
239	S	35.4	Very low	29.8	Very low	90 Å²	90	128.3 Å²	128.3	63%	0.629	77%	0.769	S	S	*	*			cis	-170.4	161.8	-12.4	50.5	0	0	0	0	114.6
240	I	35.6	Very low	29.6	Very low	159 Å²	159	129.8 Å²	129.8	82%	0.815	77%	0.769	S	S	*	*			trans	81.1	137.9	147	-80	161.7	0	0	0	118
241	P	33.8	Very low	29.6	Very low	99 Å²	99	132.1 Å²	132.1	64%	0.643	77%	0.773	S	S	*	*				-143.7	-161.3	-86.3	34.9	-9.6	0	0	0	115.9
242	M	29.6	Very low	29.5	Very low	165 Å²	165	130.7 Å²	130.7	81%	0.813	77%	0.77	S	S	*	*			trans	86.1	132.6	163	-52.4	-150.9	179.7	0	0	117.5
243	T	31.9	Very low	29.5	Very low	111 Å²	111	131.9 Å²	131.9	68%	0.681	78%	0.777	S	S	*	*			cis	-155.6	135.2	-5.8	3.5	0	0	0	0	112.2
244	T	27.7	Very low	29.3	Very low	131 Å²	131	130.3 Å²	130.3	80%	0.804	77%	0.772	S	S	*	*			trans	34.4	137.1	143.2	54.5	0	0	0	0	122.1
245	A	28	Very low	29.2	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	77%	0.773	S	S	*	*			cis	-165.5	154.8	-2.6	0	0	0	0	0	113
246	S	25.3	Very low	29	Very low	118 Å²	118	131.3 Å²	131.3	83%	0.825	78%	0.781	S	S	*	*			trans	-174.6	164.1	163	-80.9	0	0	0	0	108.5
247	P	33.3	Very low	29	Very low	124 Å²	124	128.7 Å²	128.7	81%	0.805	78%	0.777	S	S	*	*			cis	-114.3	170	-35.1	38	-26.4	0	0	0	110.8
248	I	27.9	Very low	28.8	Very low	170 Å²	170	128.9 Å²	128.9	87%	0.872	78%	0.784	S	S	*	*			trans	-120.7	137.6	171.9	-64.5	-176.8	0	0	0	111.7
249	T	25.3	Very low	28.7	Very low	119 Å²	119	128 Å²	128	73%	0.73	78%	0.778	S	S	*	*			trans	-61.1	157.1	-176.7	-15.8	0	0	0	0	114.4
250	M	27.6	Very low	28.4	Very low	165 Å²	165	130.3 Å²	130.3	81%	0.813	78%	0.783	S	S	*	*			trans	21	115.9	142.2	-68.1	-89	-81	0	0	117.7
251	N	26.6	Very low	28.3	Very low	157 Å²	157	130.1 Å²	130.1	84%	0.84	78%	0.782	S	S	*	*				-164.4	160.4	121.1	-99.3	-28	0	0	0	113.1
252	T	25.1	Very low	28.2	Very low	125 Å²	125	134.1 Å²	134.1	77%	0.767	79%	0.792	S	S	*	*			trans	-65.4	136.6	173	43.3	0	0	0	0	111.5
253	L	25.4	Very low	28.4	Very low	168 Å²	168	132.9 Å²	132.9	88%	0.88	79%	0.788	S	S	*	*			trans	-141.8	91.7	161	-147.9	78.7	0	0	0	111.5
254	S	25.2	Very low	28.7	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	77%	0.773	S	S	*	*			trans	-68.7	159.7	160.3	-56.8	0	0	0	0	110
255	S	25.5	Very low	29.2	Very low	116 Å²	116	128.6 Å²	128.6	81%	0.811	76%	0.758	S	S	*	*			trans	67.3	68.9	163.9	-171	0	0	0	0	117.8
256	M	30	Very low	29.6	Very low	195 Å²	195	132.3 Å²	132.3	96%	0.961	76%	0.76	S	S	*	*				-134.8	142.7	129	-79.3	-163.5	169.7	0	0	109.2
257	G	26.5	Very low	30.2	Very low	61 Å²	61	135.2 Å²	135.2	63%	0.629	76%	0.76	S	S	*	*			cis	155.6	98.7	-1	0	0	0	0	0	110	S259	G257-S259 PolarHBondContact O-N 2.99Å
258	S	27.8	Very low	30.7	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	74%	0.743	S	S	*	*			trans	-38	112.2	-169.7	-167.8	0	0	0	0	115.8
259	S	28.7	Very low	31.1	Very low	91 Å²	91	132.2 Å²	132.2	64%	0.636	74%	0.739	S	S	*	*			trans	-168.9	157.8	157.4	44.5	0	0	0	0	109.3	G257	G257-S259 PolarHBondContact O-N 2.99Å
260	N	30	Very low	31.8	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	74%	0.743	S	S	*	*	S	Bend	trans	89.1	-10.6	-175.1	-55.6	-43.2	0	0	0	119.1	E262	N260-E262 VanDerWaalsContact C-N 3.26Å; N260-E262 PolarHBondContact O-N 3.13Å
261	I	33.7	Very low	32.2	Very low	154 Å²	154	135.2 Å²	135.2	79%	0.79	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-72	-23.8	173.6	-67.2	177.1	0	0	0	111.8
262	E	32	Very low	33.2	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-86.6	-7	-168.5	-140.7	163.9	-162.3	0	0	114.9	N260	N260-E262 VanDerWaalsContact C-N 3.26Å; N260-E262 PolarHBondContact O-N 3.13Å
263	L	34	Very low	34.6	Very low	140 Å²	140	138.9 Å²	138.9	73%	0.733	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-90.9	-1	-175.1	-135.5	78.1	0	0	0	114.6
264	V	37.6	Very low	36.2	Very low	59 Å²	59	136.7 Å²	136.7	36%	0.358	74%	0.735	S	S	.	*	S	Bend	trans	-89.6	-31.6	-170.7	-177.9	0	0	0	0	113.1	Q266 L268	V264-Q266 VanDerWaalsContact C-N 3.27Å; V264-Q266 PolarHBondContact O-N 3.29Å; V264-L268 HydrophobicContact CG1-CD1 4.27Å
265	D	37.8	Very low	38.6	Very low	93 Å²	93	133.9 Å²	133.9	50%	0.497	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-11.8	-173.3	-84.6	-23.4	0	0	0	114.5	K324	D265-K324 IonicContact OD1-NZ 3.86Å; D265-K324 PolarHBondContact OD1-NZ 3.34Å; D265-K324 IonicContact OD2-NZ 3.85Å; D265-K324 PolarHBondContact OD2-NZ 3.24Å
266	Q	36.1	Very low	41.3	Very low	168 Å²	168	128.4 Å²	128.4	79%	0.785	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9.6	-178.5	-67.5	-168	-2.7	0	0	115.3	V264	V264-Q266 VanDerWaalsContact C-N 3.27Å; V264-Q266 PolarHBondContact O-N 3.29Å
267	H	39.1	Very low	44.1	Very low	179 Å²	179	119.1 Å²	119.1	83%	0.829	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	-9.1	-178.1	-83.2	-64.9	0	0	0	116
268	L	43.4	Very low	47	Very low	86 Å²	86	117 Å²	117	45%	0.45	60%	0.603	S	S	.	*	S	Bend	trans	-91.3	-9.7	-179	-80.6	161.4	0	0	0	114.3	V264 K270 K324 T325	V264-L268 HydrophobicContact CG1-CD1 4.27Å; L268-K270 PolarHBondContact O-N 3.45Å; L268-K324 HydrophobicContact CD1-CB 4.39Å; L268-T325 HydrophobicContact CD2-CG2 4.45Å
269	N	36.1	Very low	49.7	Very low	145 Å²	145	114 Å²	114	78%	0.775	58%	0.577	S	S	*	*			trans	-96.6	63.4	-167.4	-140.1	-3.3	0	0	0	113
270	K	40.2	Very low	52.4	Low	190 Å²	190	110.8 Å²	110.8	83%	0.826	55%	0.553	S	S	*	*			trans	-136.3	98.6	175.1	-144.2	174.8	-167.5	176.1	0	112.2	L268 K272	L268-K270 PolarHBondContact O-N 3.45Å; K270-K272 PolarHBondContact O-N 2.98Å
271	N	35.9	Very low	55	Low	157 Å²	157	105.4 Å²	105.4	84%	0.84	52%	0.524	S	S	*	.			trans	-41.2	112.4	-174.1	-56.4	-3.8	0	0	0	113.6
272	K	47.2	Very low	57.5	Low	164 Å²	164	102.4 Å²	102.4	71%	0.713	51%	0.507	S	S	*	.			trans	-155.9	95.9	170.8	-130.7	-172.1	-177.8	-166.1	0	110.5	K270 N274 T275	K270-K272 PolarHBondContact O-N 2.98Å; K272-N274 PolarHBondContact O-N 3.24Å; K272-T275 PolarHBondContact O-OG1 3.46Å
273	E	54	Low	59.9	Low	195 Å²	195	97.3 Å²	97.3	91%	0.911	49%	0.485	S	S	*	.	S	Bend	trans	-67.3	7.9	-176	-61.7	170.5	118.1	0	0	114.7
274	N	59.7	Low	62.2	Low	123 Å²	123	90.7 Å²	90.7	66%	0.658	45%	0.45	S	S	*	.			trans	-139.4	60.7	-173.1	-71.4	-75.6	0	0	0	110.8	K272	K272-N274 PolarHBondContact O-N 3.24Å
275	T	74.6	Confident	64.4	Low	47 Å²	47	91.2 Å²	91.2	29%	0.288	45%	0.454	S	S	.	.			trans	-101.7	128	176.4	-55.1	0	0	0	0	110.1	K272 D279 L280	K272-T275 PolarHBondContact O-OG1 3.46Å; T275-D279 HydrophobicContact CG2-CB 4.27Å; T275-L280 HydrophobicContact CG2-CD2 3.75Å; T275-L280 HydrophobicContact CG2-CG 3.99Å
276	S	83.9	Confident	66.5	Low	2 Å²	2	92.6 Å²	92.6	1%	0.014	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-66.9	142.6	179.1	171.7	0	0	0	0	111.1	L278 D279 L280 D330 E334	S276-L278 PolarHBondContact O-N 3.22Å; S276-L278 PolarHBondContact OG-N 2.86Å; S276-D279 WeakPolarHBondContact CB-OD2 3.41Å; S276-D279 PolarHBondContact O-N 3.4Å; S276-L280 PolarHBondContact O-N 2.98Å; S276-D330 WeakPolarHBondContact CA-O 3.46Å; S276-E334 WeakPolarHBondContact CB-OE1 3.32Å; S276-E334 WeakPolarHBondContact OG-CG 3.49Å; S276-E334 PolarHBondContact OG-OE1 2.91Å
277	C	87.6	Confident	68.7	Low	0 Å²	0	88.6 Å²	88.6	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-58.5	-26.2	170.2	-54.5	0	0	0	0	112.1	L281 C329 D330 C343 Y346	C277-L281 WeakPolarHBondContact O-CB 3.38Å; C277-L281 PolarHBondContact O-N 3.06Å; C277-C329 VanDerWaalsContact CA-SG 3.52Å; C277-C329 HydrophobicContact CB-CB 3.84Å; C277-C329 WeakPolarHBondContact CB-SG 3.01Å; C277-C329 VanDerWaalsContact SG-C 3.58Å; C277-C329 WeakPolarHBondContact SG-CB 2.97Å; C277-C329 CovalentContact SG-SG 2.03Å; C277-C329 PolarHBondContact SG-SG 3.4Å; C277-D330 PolarHBondContact N-O 2.69Å; C277-C343 VanDerWaalsContact CB-SG 3.59Å; C277-Y346 HydrophobicContact CB-CD1 3.8Å; C277-Y346 HydrophobicContact CB-CE1 4.09Å; C277-Y346 WeakPolarHBondContact O-CD1 3.13Å; C277-Y346 WeakPolarHBondContact O-CE1 3.36Å
278	L	86.8	Confident	70.5	Confident	16 Å²	16	84.7 Å²	84.7	8%	0.084	43%	0.43	C	S	.	.	H	α-helix	trans	-73.8	-34.2	174.6	-64.4	-172.2	0	0	0	113.3	S276 L280 L281 E282 R339 R342 C343	S276-L278 PolarHBondContact O-N 3.22Å; S276-L278 PolarHBondContact OG-N 2.86Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L281 HydrophobicContact CD2-CD2 4.19Å; L278-L281 WeakPolarHBondContact O-CB 3.28Å; L278-L281 PolarHBondContact O-N 3.02Å; L278-E282 WeakPolarHBondContact O-CB 3.01Å; L278-E282 PolarHBondContact O-N 3.4Å; L278-R339 HydrophobicContact CD1-CB 3.73Å; L278-R339 HydrophobicContact CD1-CG 3.89Å; L278-R339 WeakPolarHBondContact CD1-O 3.44Å; L278-R342 HydrophobicContact CD2-CG 4.04Å; L278-C343 HydrophobicContact CD1-CB 4.27Å; L278-C343 HydrophobicContact CD2-CB 4.3Å; L278-C343 HydrophobicContact CG-CB 3.89Å
279	D	85.4	Confident	72.2	Confident	61 Å²	61	83.4 Å²	83.4	33%	0.326	43%	0.431	S	S	.	.	H	α-helix	trans	-69.5	-36.7	176.8	-56.6	-25.2	0	0	0	110.3	T275 S276 E282 N283 R339	T275-D279 HydrophobicContact CG2-CB 4.27Å; S276-D279 WeakPolarHBondContact CB-OD2 3.41Å; S276-D279 PolarHBondContact O-N 3.4Å; D279-E282 PolarHBondContact O-N 3.06Å; D279-N283 WeakPolarHBondContact O-CB 3.35Å; D279-N283 VanDerWaalsContact O-CG 3.23Å; D279-N283 PolarHBondContact O-N 3.16Å; D279-N283 PolarHBondContact O-ND2 2.94Å; D279-R339 IonicContact OD1-NH2 2.66Å; D279-R339 PolarHBondContact OD1-NH2 2.97Å
280	L	84.7	Confident	74.5	Confident	25 Å²	25	76.5 Å²	76.5	13%	0.131	39%	0.394	C	S	.	.	H	α-helix	trans	-64.1	-43.7	170.5	-68.7	-168.2	0	0	0	112.4	T275 S276 L278 N283 C284 T325 H326 C329	T275-L280 HydrophobicContact CG2-CD2 3.75Å; T275-L280 HydrophobicContact CG2-CG 3.99Å; S276-L280 PolarHBondContact O-N 2.98Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L280-N283 PolarHBondContact O-N 3.45Å; L280-C284 PolarHBondContact O-N 2.66Å; L280-T325 WeakPolarHBondContact CB-O 3.5Å; L280-T325 WeakPolarHBondContact CD1-O 3.46Å; L280-H326 PolarHBondContact O-CE1 3.1Å; L280-C329 HydrophobicContact CD1-CB 3.65Å
281	L	85.9	Confident	76.5	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.141	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-46	173.1	173.9	57.9	0	0	0	111.4	C277 L278 N283 C284 T285 L294 Y346	C277-L281 WeakPolarHBondContact O-CB 3.38Å; C277-L281 PolarHBondContact O-N 3.06Å; L278-L281 HydrophobicContact CD2-CD2 4.19Å; L278-L281 WeakPolarHBondContact O-CB 3.28Å; L278-L281 PolarHBondContact O-N 3.02Å; L281-N283 VanDerWaalsContact C-N 3.34Å; L281-N283 PolarHBondContact O-N 2.88Å; L281-C284 PolarHBondContact O-N 3.04Å; L281-T285 HydrophobicContact CD1-CG2 4.07Å; L281-T285 WeakPolarHBondContact O-CG2 2.97Å; L281-T285 PolarHBondContact O-N 2.86Å; L281-T285 PolarHBondContact O-OG1 3.27Å; L281-L294 HydrophobicContact CD1-CD2 3.46Å; L281-L294 VanDerWaalsContact CD1-CD2 3.46Å; L281-Y346 HydrophobicContact CB-CD1 4.2Å; L281-Y346 HydrophobicContact CB-CE1 3.75Å; L281-Y346 HydrophobicContact CB-CE2 4.36Å; L281-Y346 HydrophobicContact CD1-CD2 4.4Å; L281-Y346 HydrophobicContact CD1-CE2 3.81Å; L281-Y346 HydrophobicContact CD2-CD1 4.31Å; L281-Y346 HydrophobicContact CD2-CD2 4.03Å; L281-Y346 HydrophobicContact CD2-CE2 4.21Å; L281-Y346 HydrophobicContact CD2-CG 4.06Å; L281-Y346 HydrophobicContact CG-CE2 4.35Å
282	E	84.8	Confident	78.4	Confident	91 Å²	91	66.5 Å²	66.5	43%	0.425	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-40.4	178.8	-159.2	-166.4	107.5	0	0	111.8	L278 D279 T285 K286	L278-E282 WeakPolarHBondContact O-CB 3.01Å; L278-E282 PolarHBondContact O-N 3.4Å; D279-E282 PolarHBondContact O-N 3.06Å; E282-T285 WeakPolarHBondContact CA-OG1 3.13Å; E282-T285 PolarHBondContact O-N 2.62Å; E282-T285 PolarHBondContact O-OG1 2.93Å; E282-K286 WeakPolarHBondContact O-CG 3.24Å; E282-K286 PolarHBondContact O-N 3.02Å; E282-K286 VanDerWaalsContact O-N 3.12Å; E282-K286 WeakPolarHBondContact OE1-CE 3.41Å; E282-K286 IonicContact OE1-NZ 2.74Å; E282-K286 PolarHBondContact OE1-NZ 3.31Å
283	N	82.8	Confident	80.2	Confident	76 Å²	76	59.2 Å²	59.2	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-68.8	-35.2	177.3	-69.8	-23.9	0	0	0	112.8	D279 L280 L281 K286	D279-N283 WeakPolarHBondContact O-CB 3.35Å; D279-N283 VanDerWaalsContact O-CG 3.23Å; D279-N283 PolarHBondContact O-N 3.16Å; D279-N283 PolarHBondContact O-ND2 2.94Å; L280-N283 PolarHBondContact O-N 3.45Å; L281-N283 VanDerWaalsContact C-N 3.34Å; L281-N283 PolarHBondContact O-N 2.88Å; N283-K286 PolarHBondContact OD1-NZ 3.47Å
284	C	83.7	Confident	81.6	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-42.2	169.4	176.1	0	0	0	0	112.3	L280 L281 K286 L287 C290 H326	L280-C284 PolarHBondContact O-N 2.66Å; L281-C284 PolarHBondContact O-N 3.04Å; C284-K286 PolarHBondContact O-N 3.3Å; C284-L287 PolarHBondContact O-N 2.98Å; C284-L287 VanDerWaalsContact O-O 3.06Å; C284-C290 HydrophobicContact CB-CB 4.08Å; C284-C290 WeakPolarHBondContact CB-SG 3.16Å; C284-C290 WeakPolarHBondContact O-CB 3.42Å; C284-C290 WeakPolarHBondContact SG-CB 3.06Å; C284-C290 CovalentContact SG-SG 2.04Å; C284-C290 PolarHBondContact SG-SG 2.86Å; C284-H326 VanDerWaalsContact CB-CE1 3.43Å; C284-H326 WeakPolarHBondContact CB-CE1 3.23Å; C284-H326 VanDerWaalsContact CB-NE2 3.31Å; C284-H326 WeakPolarHBondContact CB-NE2 3.46Å; C284-H326 PolarHBondContact SG-NE2 3.24Å
285	T	83.1	Confident	82.7	Confident	71 Å²	71	48.2 Å²	48.2	44%	0.436	27%	0.27	S	S	.	.	H	α-helix	trans	-69.5	-20.4	-178.8	56.8	0	0	0	0	113.7	L281 E282 L287 L294	L281-T285 HydrophobicContact CD1-CG2 4.07Å; L281-T285 WeakPolarHBondContact O-CG2 2.97Å; L281-T285 PolarHBondContact O-N 2.86Å; L281-T285 PolarHBondContact O-OG1 3.27Å; E282-T285 WeakPolarHBondContact CA-OG1 3.13Å; E282-T285 PolarHBondContact O-N 2.62Å; E282-T285 PolarHBondContact O-OG1 2.93Å; T285-L287 VanDerWaalsContact C-N 3.29Å; T285-L294 HydrophobicContact CG2-CD2 4.47Å
286	K	82	Confident	83.2	Confident	121 Å²	121	49.7 Å²	49.7	53%	0.526	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.4	168.6	-70.5	165	-165.5	157.8	0	113.7	E282 N283 C284	E282-K286 WeakPolarHBondContact O-CG 3.24Å; E282-K286 PolarHBondContact O-N 3.02Å; E282-K286 VanDerWaalsContact O-N 3.12Å; E282-K286 WeakPolarHBondContact OE1-CE 3.41Å; E282-K286 IonicContact OE1-NZ 2.74Å; E282-K286 PolarHBondContact OE1-NZ 3.31Å; N283-K286 PolarHBondContact OD1-NZ 3.47Å; C284-K286 PolarHBondContact O-N 3.3Å
287	L	81.6	Confident	83.3	Confident	84 Å²	84	50 Å²	50	44%	0.44	27%	0.273	S	S	.	.	S	Bend	trans	-101.1	110.3	178.8	-66.9	175.4	0	0	0	109.9	C284 T285 A289 C290 A291	C284-L287 PolarHBondContact O-N 2.98Å; C284-L287 VanDerWaalsContact O-O 3.06Å; T285-L287 VanDerWaalsContact C-N 3.29Å; L287-A289 PolarHBondContact O-N 3.32Å; L287-A289 VanDerWaalsContact O-N 3.11Å; L287-C290 HydrophobicContact CB-CB 3.99Å; L287-C290 PolarHBondContact O-N 2.99Å; L287-A291 PolarHBondContact O-N 3.37Å
288	P	76.5	Confident	83.2	Confident	98 Å²	98	54.2 Å²	54.2	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-54.2	-38.2	-174.9	-29.3	36	0	0	0	114.1	A291 I292	P288-A291 PolarHBondContact O-N 3.12Å; P288-I292 WeakPolarHBondContact O-CB 3.44Å; P288-I292 WeakPolarHBondContact O-CD1 3.41Å; P288-I292 WeakPolarHBondContact O-CG1 3.45Å; P288-I292 PolarHBondContact O-N 3.01Å
289	A	79.9	Confident	82.9	Confident	58 Å²	58	56.6 Å²	56.6	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-41	177.3	0	0	0	0	0	112.8	L287 A293 F323	L287-A289 PolarHBondContact O-N 3.32Å; L287-A289 VanDerWaalsContact O-N 3.11Å; A289-A293 WeakPolarHBondContact O-CB 3.22Å; A289-A293 PolarHBondContact O-N 2.89Å; A289-F323 VanDerWaalsContact C-CZ 3.44Å; A289-F323 HydrophobicContact CB-CE1 3.85Å; A289-F323 HydrophobicContact CB-CZ 3.7Å
290	C	85.2	Confident	82.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-41.4	176.2	-169.1	0	0	0	0	111	C284 L287 I292 A293 L294 F323	C284-C290 HydrophobicContact CB-CB 4.08Å; C284-C290 WeakPolarHBondContact CB-SG 3.16Å; C284-C290 WeakPolarHBondContact O-CB 3.42Å; C284-C290 WeakPolarHBondContact SG-CB 3.06Å; C284-C290 CovalentContact SG-SG 2.04Å; C284-C290 PolarHBondContact SG-SG 2.86Å; L287-C290 HydrophobicContact CB-CB 3.99Å; L287-C290 PolarHBondContact O-N 2.99Å; C290-I292 VanDerWaalsContact C-N 3.35Å; C290-I292 PolarHBondContact O-N 2.84Å; C290-A293 PolarHBondContact O-N 3.17Å; C290-L294 VanDerWaalsContact O-CB 3.25Å; C290-L294 WeakPolarHBondContact O-CB 3.48Å; C290-L294 PolarHBondContact O-N 3.16Å; C290-F323 HydrophobicContact CB-CB 4.43Å; C290-F323 HydrophobicContact CB-CD1 3.71Å; C290-F323 HydrophobicContact CB-CD2 4.12Å; C290-F323 HydrophobicContact CB-CE1 3.97Å; C290-F323 HydrophobicContact CB-CE2 4.37Å; C290-F323 HydrophobicContact CB-CG 3.8Å; C290-F323 HydrophobicContact CB-CZ 4.31Å
291	A	82.1	Confident	82.8	Confident	19 Å²	19	54 Å²	54	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-42.9	173.9	0	0	0	0	0	112.5	L287 P288 N295	L287-A291 PolarHBondContact O-N 3.37Å; P288-A291 PolarHBondContact O-N 3.12Å; A291-N295 WeakPolarHBondContact O-CB 3.1Å; A291-N295 PolarHBondContact O-N 3.31Å; A291-N295 PolarHBondContact O-ND2 3.31Å
292	I	75.8	Confident	82.7	Confident	118 Å²	118	54 Å²	54	61%	0.605	30%	0.298	S	S	*	.	H	α-helix	trans	-64.7	-45.8	175	-71.1	163.6	0	0	0	110.9	P288 C290 N295 K296	P288-I292 WeakPolarHBondContact O-CB 3.44Å; P288-I292 WeakPolarHBondContact O-CD1 3.41Å; P288-I292 WeakPolarHBondContact O-CG1 3.45Å; P288-I292 PolarHBondContact O-N 3.01Å; C290-I292 VanDerWaalsContact C-N 3.35Å; C290-I292 PolarHBondContact O-N 2.84Å; I292-N295 PolarHBondContact O-N 2.92Å; I292-K296 PolarHBondContact O-N 2.92Å
293	A	83.6	Confident	82.2	Confident	12 Å²	12	56.2 Å²	56.2	10%	0.099	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-45.6	178.6	0	0	0	0	0	112.2	A289 C290 N295 K296 Y297 F320 F323	A289-A293 WeakPolarHBondContact O-CB 3.22Å; A289-A293 PolarHBondContact O-N 2.89Å; C290-A293 PolarHBondContact O-N 3.17Å; A293-N295 VanDerWaalsContact C-N 3.35Å; A293-N295 PolarHBondContact O-N 3.45Å; A293-K296 PolarHBondContact O-N 3.01Å; A293-Y297 VanDerWaalsContact O-CB 3.22Å; A293-Y297 WeakPolarHBondContact O-CB 3.06Å; A293-Y297 PolarHBondContact O-N 3.25Å; A293-F320 HydrophobicContact CB-CB 4.36Å; A293-F323 HydrophobicContact CB-CD2 4.21Å; A293-F323 HydrophobicContact CB-CE2 3.61Å
294	L	84.6	Confident	81.8	Confident	1 Å²	1	60 Å²	60	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-41.6	174.9	174.7	60.1	0	0	0	112.2	L281 T285 C290 Y297 R298 F320 Y346 V350	L281-L294 HydrophobicContact CD1-CD2 3.46Å; L281-L294 VanDerWaalsContact CD1-CD2 3.46Å; T285-L294 HydrophobicContact CG2-CD2 4.47Å; C290-L294 VanDerWaalsContact O-CB 3.25Å; C290-L294 WeakPolarHBondContact O-CB 3.48Å; C290-L294 PolarHBondContact O-N 3.16Å; L294-Y297 PolarHBondContact O-N 3.46Å; L294-R298 HydrophobicContact CD1-CG 4.2Å; L294-R298 WeakPolarHBondContact O-CB 3.09Å; L294-R298 WeakPolarHBondContact O-CG 3.32Å; L294-R298 PolarHBondContact O-N 3.19Å; L294-F320 HydrophobicContact CB-CD2 3.87Å; L294-F320 HydrophobicContact CB-CE2 3.76Å; L294-F320 HydrophobicContact CD1-CD2 4.26Å; L294-F320 HydrophobicContact CD1-CE1 4.45Å; L294-F320 HydrophobicContact CD1-CE2 3.64Å; L294-F320 HydrophobicContact CD1-CZ 3.75Å; L294-F320 HydrophobicContact CG-CE2 4.17Å; L294-Y346 HydrophobicContact CD1-CE2 4.46Å; L294-V350 HydrophobicContact CD1-CG1 3.85Å; L294-V350 HydrophobicContact CD1-CG2 4.2Å
295	N	81.9	Confident	81.4	Confident	86 Å²	86	61.5 Å²	61.5	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-70.3	-42.7	177.6	-72.9	-23.2	0	0	0	111.8	A291 I292 A293 Y297 R298 A299	A291-N295 WeakPolarHBondContact O-CB 3.1Å; A291-N295 PolarHBondContact O-N 3.31Å; A291-N295 PolarHBondContact O-ND2 3.31Å; I292-N295 PolarHBondContact O-N 2.92Å; A293-N295 VanDerWaalsContact C-N 3.35Å; A293-N295 PolarHBondContact O-N 3.45Å; N295-Y297 VanDerWaalsContact C-N 3.31Å; N295-Y297 PolarHBondContact O-N 3.3Å; N295-R298 PolarHBondContact O-N 3.44Å; N295-A299 WeakPolarHBondContact O-CB 3.33Å; N295-A299 PolarHBondContact O-N 3.24Å
296	K	84.6	Confident	81	Confident	78 Å²	78	59.1 Å²	59.1	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.2	172.8	-178.8	178.3	175.9	-176.1	0	110.8	I292 A293 A299 L300 E315 A316	I292-K296 PolarHBondContact O-N 2.92Å; A293-K296 PolarHBondContact O-N 3.01Å; K296-A299 PolarHBondContact O-N 3.3Å; K296-L300 HydrophobicContact CD-CD1 4.22Å; K296-L300 VanDerWaalsContact CE-CD1 3.43Å; K296-L300 HydrophobicContact CG-CD1 3.63Å; K296-L300 WeakPolarHBondContact O-CB 3.4Å; K296-L300 WeakPolarHBondContact O-CG 3.33Å; K296-L300 PolarHBondContact O-N 3.43Å; K296-L300 VanDerWaalsContact O-N 3.16Å; K296-E315 IonicContact NZ-OE1 2.66Å; K296-E315 PolarHBondContact NZ-OE1 3.5Å; K296-E315 IonicContact NZ-OE2 2.76Å; K296-E315 PolarHBondContact NZ-OE2 2.57Å; K296-A316 HydrophobicContact CD-CB 4.29Å; K296-A316 HydrophobicContact CG-CB 3.95Å
297	Y	86.5	Confident	80.7	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-52.6	177.6	173.3	-112.8	0	0	0	112.2	A293 L294 N295 A299 L300 C301 S317 F320 V350 N353 V356	A293-Y297 VanDerWaalsContact O-CB 3.22Å; A293-Y297 WeakPolarHBondContact O-CB 3.06Å; A293-Y297 PolarHBondContact O-N 3.25Å; L294-Y297 PolarHBondContact O-N 3.46Å; N295-Y297 VanDerWaalsContact C-N 3.31Å; N295-Y297 PolarHBondContact O-N 3.3Å; Y297-A299 VanDerWaalsContact C-N 3.25Å; Y297-A299 PolarHBondContact O-N 2.81Å; Y297-L300 PolarHBondContact O-N 3.24Å; Y297-L300 VanDerWaalsContact O-N 3.13Å; Y297-C301 HydrophobicContact CD2-CB 3.94Å; Y297-C301 WeakPolarHBondContact CD2-SG 3.43Å; Y297-C301 HydrophobicContact CE2-CB 3.62Å; Y297-C301 WeakPolarHBondContact CE2-SG 3.34Å; Y297-C301 WeakPolarHBondContact O-CB 3.31Å; Y297-C301 PolarHBondContact O-N 3.26Å; Y297-S317 VanDerWaalsContact CD2-CA 3.49Å; Y297-S317 VanDerWaalsContact CE2-CB 3.46Å; Y297-F320 AromaticContact CD1-CD1 3.78Å; Y297-F320 HydrophobicContact CD1-CD1 3.78Å; Y297-F320 HydrophobicContact CD1-CE1 4.19Å; Y297-F320 HydrophobicContact CD1-CG 4.26Å; Y297-F320 HydrophobicContact CE1-CD1 4.07Å; Y297-F320 HydrophobicContact CE1-CE1 4.26Å; Y297-F320 HydrophobicContact CG-CB 4.28Å; Y297-F320 HydrophobicContact CG-CD1 4.18Å; Y297-F320 HydrophobicContact CG-CG 4.37Å; Y297-V350 HydrophobicContact CD1-CG1 4.22Å; Y297-V350 HydrophobicContact CE1-CB 4.24Å; Y297-V350 HydrophobicContact CE1-CG1 3.83Å; Y297-V350 HydrophobicContact CE1-CG2 4.42Å; Y297-V350 PolarHBondContact OH-O 3.08Å; Y297-N353 VanDerWaalsContact OH-CB 3.28Å; Y297-N353 WeakPolarHBondContact OH-CB 3.15Å; Y297-V356 HydrophobicContact CE2-CG2 3.76Å; Y297-V356 WeakPolarHBondContact OH-CG2 3.05Å
298	R	85.6	Confident	80.5	Confident	90 Å²	90	62.7 Å²	62.7	34%	0.34	33%	0.333	S	S	.	.	H	α-helix	trans	-58.8	-33.2	176.2	-77.6	174.3	169.6	156.5	-1.7	113.6	L294 N295 T302 V350	L294-R298 HydrophobicContact CD1-CG 4.2Å; L294-R298 WeakPolarHBondContact O-CB 3.09Å; L294-R298 WeakPolarHBondContact O-CG 3.32Å; L294-R298 PolarHBondContact O-N 3.19Å; N295-R298 PolarHBondContact O-N 3.44Å; R298-T302 VanDerWaalsContact O-CG2 3.27Å; R298-T302 WeakPolarHBondContact O-CG2 3.26Å; R298-V350 HydrophobicContact CG-CG2 4.01Å
299	A	80	Confident	80.7	Confident	65 Å²	65	60.7 Å²	60.7	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-74.5	-29.2	178	0	0	0	0	0	113.5	N295 K296 Y297	N295-A299 WeakPolarHBondContact O-CB 3.33Å; N295-A299 PolarHBondContact O-N 3.24Å; K296-A299 PolarHBondContact O-N 3.3Å; Y297-A299 VanDerWaalsContact C-N 3.25Å; Y297-A299 PolarHBondContact O-N 2.81Å
300	L	85.1	Confident	80.9	Confident	30 Å²	30	61.9 Å²	61.9	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-102.5	-28.4	-174.1	-65.2	171.6	0	0	0	113.6	K296 Y297 T305 L309 Q312 C313 A316	K296-L300 HydrophobicContact CD-CD1 4.22Å; K296-L300 VanDerWaalsContact CE-CD1 3.43Å; K296-L300 HydrophobicContact CG-CD1 3.63Å; K296-L300 WeakPolarHBondContact O-CB 3.4Å; K296-L300 WeakPolarHBondContact O-CG 3.33Å; K296-L300 PolarHBondContact O-N 3.43Å; K296-L300 VanDerWaalsContact O-N 3.16Å; Y297-L300 PolarHBondContact O-N 3.24Å; Y297-L300 VanDerWaalsContact O-N 3.13Å; L300-T305 VanDerWaalsContact C-OG1 3.26Å; L300-T305 WeakPolarHBondContact O-CB 3.26Å; L300-T305 PolarHBondContact O-OG1 3.13Å; L300-L309 HydrophobicContact CD2-CD1 3.79Å; L300-Q312 HydrophobicContact CD1-CB 4.06Å; L300-Q312 HydrophobicContact CD2-CB 4.32Å; L300-C313 HydrophobicContact CB-CB 4.43Å; L300-A316 HydrophobicContact CD1-CB 3.95Å
301	C	84.6	Confident	80.8	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.02	34%	0.339	C	S	.	.	S	Bend	trans	-103.4	43.9	-178.9	-60.9	0	0	0	0	113.1	Y297 C313 N353	Y297-C301 HydrophobicContact CD2-CB 3.94Å; Y297-C301 WeakPolarHBondContact CD2-SG 3.43Å; Y297-C301 HydrophobicContact CE2-CB 3.62Å; Y297-C301 WeakPolarHBondContact CE2-SG 3.34Å; Y297-C301 WeakPolarHBondContact O-CB 3.31Å; Y297-C301 PolarHBondContact O-N 3.26Å; C301-C313 VanDerWaalsContact CA-SG 3.51Å; C301-C313 HydrophobicContact CB-CB 4.18Å; C301-C313 WeakPolarHBondContact CB-SG 3.34Å; C301-C313 WeakPolarHBondContact SG-CA 3.48Å; C301-C313 WeakPolarHBondContact SG-CB 3.19Å; C301-C313 PolarHBondContact SG-O 2.95Å; C301-C313 CovalentContact SG-SG 2.04Å; C301-C313 PolarHBondContact SG-SG 3.01Å; C301-N353 PolarHBondContact O-ND2 2.91Å
302	T	82.5	Confident	81	Confident	27 Å²	27	68.5 Å²	68.5	17%	0.166	35%	0.348	C	S	.	.	S	Bend	trans	-81.5	157.1	167.1	78.2	0	0	0	0	110.4	W26 R298 R304 T305 C306	W26-T302 HydrophobicContact CZ3-CG2 4.37Å; R298-T302 VanDerWaalsContact O-CG2 3.27Å; R298-T302 WeakPolarHBondContact O-CG2 3.26Å; T302-R304 PolarHBondContact O-N 3.16Å; T302-R304 PolarHBondContact OG1-N 3.27Å; T302-T305 PolarHBondContact N-OG1 2.93Å; T302-T305 PolarHBondContact O-N 3.44Å; T302-T305 PolarHBondContact O-OG1 3.1Å; T302-T305 PolarHBondContact OG1-N 3.45Å; T302-T305 VanDerWaalsContact OG1-N 3.12Å; T302-T305 PolarHBondContact OG1-OG1 3.1Å; T302-C306 PolarHBondContact O-N 3.12Å
303	I	75.5	Confident	81.7	Confident	136 Å²	136	63 Å²	63	70%	0.697	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.3	173.8	-58.5	171.8	0	0	0	112
304	R	73.7	Confident	81.9	Confident	157 Å²	157	64.2 Å²	64.2	59%	0.592	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-21.2	178.2	-59.4	-170.4	-174.1	100.1	-4.3	114.6	W26 T302	W26-R304 VanDerWaalsContact CD1-NH1 3.27Å; W26-R304 VanDerWaalsContact CE2-NH1 3.29Å; W26-R304 VanDerWaalsContact NE1-NH2 3.17Å; T302-R304 PolarHBondContact O-N 3.16Å; T302-R304 PolarHBondContact OG1-N 3.27Å
305	T	75.6	Confident	82.1	Confident	31 Å²	31	67.6 Å²	67.6	19%	0.19	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-13.5	-178.3	53.7	0	0	0	0	112.7	L300 T302 D307 K308 L309	L300-T305 VanDerWaalsContact C-OG1 3.26Å; L300-T305 WeakPolarHBondContact O-CB 3.26Å; L300-T305 PolarHBondContact O-OG1 3.13Å; T302-T305 PolarHBondContact N-OG1 2.93Å; T302-T305 PolarHBondContact O-N 3.44Å; T302-T305 PolarHBondContact O-OG1 3.1Å; T302-T305 PolarHBondContact OG1-N 3.45Å; T302-T305 VanDerWaalsContact OG1-N 3.12Å; T302-T305 PolarHBondContact OG1-OG1 3.1Å; T305-D307 VanDerWaalsContact C-N 3.3Å; T305-D307 PolarHBondContact O-N 3.07Å; T305-D307 VanDerWaalsContact O-N 3.16Å; T305-K308 PolarHBondContact O-N 2.68Å; T305-L309 HydrophobicContact CG2-CD1 4.16Å; T305-L309 WeakPolarHBondContact O-CA 3.34Å; T305-L309 PolarHBondContact O-N 3.49Å
306	C	75.3	Confident	82.5	Confident	21 Å²	21	63.5 Å²	63.5	14%	0.142	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-32.7	-57	176.3	-147.7	0	0	0	0	113.5	T302 K310 C355	T302-C306 PolarHBondContact O-N 3.12Å; C306-K310 VanDerWaalsContact O-CA 3.23Å; C306-K310 WeakPolarHBondContact O-CA 3.27Å; C306-K310 VanDerWaalsContact O-CB 3.28Å; C306-K310 WeakPolarHBondContact O-CB 3.32Å; C306-K310 PolarHBondContact O-N 3.21Å; C306-C355 HydrophobicContact CB-CB 4.23Å; C306-C355 WeakPolarHBondContact CB-SG 3.19Å; C306-C355 WeakPolarHBondContact SG-CA 3.46Å; C306-C355 WeakPolarHBondContact SG-CB 3.41Å; C306-C355 CovalentContact SG-SG 2.04Å; C306-C355 PolarHBondContact SG-SG 3.49Å
307	D	74.4	Confident	82.7	Confident	131 Å²	131	60 Å²	60	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-49.3	-175	-45	-67.2	0	0	0	111.8	T305 L309 K310	T305-D307 VanDerWaalsContact C-N 3.3Å; T305-D307 PolarHBondContact O-N 3.07Å; T305-D307 VanDerWaalsContact O-N 3.16Å; D307-L309 PolarHBondContact O-N 3.18Å; D307-K310 PolarHBondContact O-N 3.37Å
308	K	77.1	Confident	82.8	Confident	149 Å²	149	64.5 Å²	64.5	65%	0.648	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.6	-175.7	-63.8	-173.3	179.5	-178.6	0	113.3	T305	T305-K308 PolarHBondContact O-N 2.68Å
309	L	81.2	Confident	82.9	Confident	56 Å²	56	65 Å²	65	29%	0.293	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	31	-179.3	-63.1	175.7	0	0	0	112.2	L300 T305 D307 S311 Q312 C313	L300-L309 HydrophobicContact CD2-CD1 3.79Å; T305-L309 HydrophobicContact CG2-CD1 4.16Å; T305-L309 WeakPolarHBondContact O-CA 3.34Å; T305-L309 PolarHBondContact O-N 3.49Å; D307-L309 PolarHBondContact O-N 3.18Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 2.7Å; L309-Q312 PolarHBondContact O-N 3.17Å; L309-Q312 VanDerWaalsContact O-N 3.16Å; L309-Q312 PolarHBondContact O-OE1 3.35Å; L309-C313 WeakPolarHBondContact O-CB 3.42Å; L309-C313 PolarHBondContact O-N 2.89Å
310	K	83.6	Confident	83.2	Confident	83 Å²	83	62 Å²	62	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-52.8	-44.4	-174.1	-169	170.9	-179.1	176.4	0	113.2	C306 D307 L314 S359	C306-K310 VanDerWaalsContact O-CA 3.23Å; C306-K310 WeakPolarHBondContact O-CA 3.27Å; C306-K310 VanDerWaalsContact O-CB 3.28Å; C306-K310 WeakPolarHBondContact O-CB 3.32Å; C306-K310 PolarHBondContact O-N 3.21Å; D307-K310 PolarHBondContact O-N 3.37Å; K310-L314 HydrophobicContact CG-CD1 4.12Å; K310-L314 WeakPolarHBondContact O-CB 3.15Å; K310-L314 WeakPolarHBondContact O-CG 3.45Å; K310-L314 PolarHBondContact O-N 3.29Å; K310-S359 WeakPolarHBondContact CE-OG 3.43Å
311	S	84	Confident	83.2	Confident	83 Å²	83	64.3 Å²	64.3	58%	0.58	32%	0.315	S	S	*	.	H	α-helix	trans	-69	-40.6	-179.7	57.2	0	0	0	0	112.9	L309 L314 E315	L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 2.7Å; S311-L314 PolarHBondContact O-N 2.99Å; S311-E315 WeakPolarHBondContact O-CB 3.46Å; S311-E315 PolarHBondContact O-N 3.07Å
312	Q	86.9	Confident	83.2	Confident	75 Å²	75	71 Å²	71	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-72.3	-34.2	177.8	-55.3	84.1	-5.6	0	0	111.6	L300 L309 A316	L300-Q312 HydrophobicContact CD1-CB 4.06Å; L300-Q312 HydrophobicContact CD2-CB 4.32Å; L309-Q312 PolarHBondContact O-N 3.17Å; L309-Q312 VanDerWaalsContact O-N 3.16Å; L309-Q312 PolarHBondContact O-OE1 3.35Å; Q312-A316 VanDerWaalsContact O-CB 3.3Å; Q312-A316 WeakPolarHBondContact O-CB 3.22Å; Q312-A316 PolarHBondContact O-N 2.87Å
313	C	89	Confident	83.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-49.4	169	167.2	0	0	0	0	110.8	L300 C301 L309 E315 A316 S317	L300-C313 HydrophobicContact CB-CB 4.43Å; C301-C313 VanDerWaalsContact CA-SG 3.51Å; C301-C313 HydrophobicContact CB-CB 4.18Å; C301-C313 WeakPolarHBondContact CB-SG 3.34Å; C301-C313 WeakPolarHBondContact SG-CA 3.48Å; C301-C313 WeakPolarHBondContact SG-CB 3.19Å; C301-C313 PolarHBondContact SG-O 2.95Å; C301-C313 CovalentContact SG-SG 2.04Å; C301-C313 PolarHBondContact SG-SG 3.01Å; L309-C313 WeakPolarHBondContact O-CB 3.42Å; L309-C313 PolarHBondContact O-N 2.89Å; C313-E315 PolarHBondContact O-N 2.86Å; C313-A316 CarbonylContact O-C 3.6Å; C313-A316 PolarHBondContact O-N 3.36Å; C313-A316 VanDerWaalsContact O-N 3.17Å; C313-S317 WeakPolarHBondContact O-CB 3.46Å; C313-S317 PolarHBondContact O-N 2.98Å
314	L	88.2	Confident	83	Confident	38 Å²	38	71.2 Å²	71.2	20%	0.199	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-33.1	179	-66.8	170.6	0	0	0	113.3	K310 S311 S317 K318 V356 S359	K310-L314 HydrophobicContact CG-CD1 4.12Å; K310-L314 WeakPolarHBondContact O-CB 3.15Å; K310-L314 WeakPolarHBondContact O-CG 3.45Å; K310-L314 PolarHBondContact O-N 3.29Å; S311-L314 PolarHBondContact O-N 2.99Å; L314-S317 PolarHBondContact O-OG 3.18Å; L314-S317 VanDerWaalsContact O-OG 3.08Å; L314-K318 WeakPolarHBondContact O-CB 3.23Å; L314-K318 VanDerWaalsContact O-CG 3.27Å; L314-K318 WeakPolarHBondContact O-CG 3.48Å; L314-K318 PolarHBondContact O-N 3.47Å; L314-K318 VanDerWaalsContact O-N 3.08Å; L314-V356 HydrophobicContact CD2-CG1 4.35Å; L314-S359 WeakPolarHBondContact CD1-OG 3.38Å; L314-S359 VanDerWaalsContact CD2-CB 3.47Å
315	E	89.7	Confident	82.6	Confident	72 Å²	72	64.4 Å²	64.4	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-42.5	170.3	-171	-128	126.2	0	0	111.2	K296 S311 C313 K319	K296-E315 IonicContact NZ-OE1 2.66Å; K296-E315 PolarHBondContact NZ-OE1 3.5Å; K296-E315 IonicContact NZ-OE2 2.76Å; K296-E315 PolarHBondContact NZ-OE2 2.57Å; S311-E315 WeakPolarHBondContact O-CB 3.46Å; S311-E315 PolarHBondContact O-N 3.07Å; C313-E315 PolarHBondContact O-N 2.86Å; E315-K319 WeakPolarHBondContact O-CB 3.47Å; E315-K319 WeakPolarHBondContact O-CG 3.35Å; E315-K319 PolarHBondContact O-N 3.17Å; E315-K319 WeakPolarHBondContact OE1-CD 3.32Å; E315-K319 VanDerWaalsContact OE1-CE 3.26Å; E315-K319 WeakPolarHBondContact OE1-CE 3.08Å; E315-K319 IonicContact OE1-NZ 2.66Å; E315-K319 PolarHBondContact OE1-NZ 3.06Å
316	A	88.7	Confident	82.2	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-71	-38.2	178.3	0	0	0	0	0	112.8	K296 L300 Q312 C313 K319 F320	K296-A316 HydrophobicContact CD-CB 4.29Å; K296-A316 HydrophobicContact CG-CB 3.95Å; L300-A316 HydrophobicContact CD1-CB 3.95Å; Q312-A316 VanDerWaalsContact O-CB 3.3Å; Q312-A316 WeakPolarHBondContact O-CB 3.22Å; Q312-A316 PolarHBondContact O-N 2.87Å; C313-A316 CarbonylContact O-C 3.6Å; C313-A316 PolarHBondContact O-N 3.36Å; C313-A316 VanDerWaalsContact O-N 3.17Å; A316-K319 PolarHBondContact O-N 2.91Å; A316-F320 WeakPolarHBondContact O-CB 3.35Å; A316-F320 PolarHBondContact O-N 3.43Å
317	S	89.6	Confident	81.7	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-45.9	175.6	76.9	0	0	0	0	110.4	Y297 C313 L314 K319 F320 L321	Y297-S317 VanDerWaalsContact CD2-CA 3.49Å; Y297-S317 VanDerWaalsContact CE2-CB 3.46Å; C313-S317 WeakPolarHBondContact O-CB 3.46Å; C313-S317 PolarHBondContact O-N 2.98Å; L314-S317 PolarHBondContact O-OG 3.18Å; L314-S317 VanDerWaalsContact O-OG 3.08Å; S317-K319 VanDerWaalsContact C-N 3.34Å; S317-K319 PolarHBondContact O-N 3.06Å; S317-F320 PolarHBondContact O-N 3.3Å; S317-F320 VanDerWaalsContact O-N 3.14Å; S317-L321 WeakPolarHBondContact O-CB 3.41Å; S317-L321 WeakPolarHBondContact O-CG 3.48Å; S317-L321 PolarHBondContact O-N 3.22Å
318	K	88.8	Confident	81.6	Confident	103 Å²	103	69.5 Å²	69.5	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-42.4	174.6	-73.1	175.8	178.6	-173.1	0	112.2	L314 F320 Q322	L314-K318 WeakPolarHBondContact O-CB 3.23Å; L314-K318 VanDerWaalsContact O-CG 3.27Å; L314-K318 WeakPolarHBondContact O-CG 3.48Å; L314-K318 PolarHBondContact O-N 3.47Å; L314-K318 VanDerWaalsContact O-N 3.08Å; K318-F320 VanDerWaalsContact C-N 3.34Å; K318-F320 PolarHBondContact O-N 2.95Å; K318-Q322 VanDerWaalsContact O-CG 3.27Å; K318-Q322 WeakPolarHBondContact O-CG 3.47Å; K318-Q322 PolarHBondContact O-N 2.79Å; K318-Q322 VanDerWaalsContact O-N 3.12Å
319	K	87.7	Confident	82	Confident	99 Å²	99	62.9 Å²	62.9	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-68.6	-27.6	176	-76.1	177.4	177.2	175.6	0	114.1	E315 A316 S317 F323	E315-K319 WeakPolarHBondContact O-CB 3.47Å; E315-K319 WeakPolarHBondContact O-CG 3.35Å; E315-K319 PolarHBondContact O-N 3.17Å; E315-K319 WeakPolarHBondContact OE1-CD 3.32Å; E315-K319 VanDerWaalsContact OE1-CE 3.26Å; E315-K319 WeakPolarHBondContact OE1-CE 3.08Å; E315-K319 IonicContact OE1-NZ 2.66Å; E315-K319 PolarHBondContact OE1-NZ 3.06Å; A316-K319 PolarHBondContact O-N 2.91Å; S317-K319 VanDerWaalsContact C-N 3.34Å; S317-K319 PolarHBondContact O-N 3.06Å; K319-F323 WeakPolarHBondContact O-CD2 3.37Å; K319-F323 VanDerWaalsContact O-CE2 3.26Å; K319-F323 WeakPolarHBondContact O-CE2 3.41Å
320	F	86.9	Confident	82.3	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.013	31%	0.31	C	S	.	.	H	α-helix	trans	-79.7	-43.4	173.8	172.7	-116.8	0	0	0	112	A293 L294 Y297 A316 S317 K318 Q322 F323 H326 V350	A293-F320 HydrophobicContact CB-CB 4.36Å; L294-F320 HydrophobicContact CB-CD2 3.87Å; L294-F320 HydrophobicContact CB-CE2 3.76Å; L294-F320 HydrophobicContact CD1-CD2 4.26Å; L294-F320 HydrophobicContact CD1-CE1 4.45Å; L294-F320 HydrophobicContact CD1-CE2 3.64Å; L294-F320 HydrophobicContact CD1-CZ 3.75Å; L294-F320 HydrophobicContact CG-CE2 4.17Å; Y297-F320 AromaticContact CD1-CD1 3.78Å; Y297-F320 HydrophobicContact CD1-CD1 3.78Å; Y297-F320 HydrophobicContact CD1-CE1 4.19Å; Y297-F320 HydrophobicContact CD1-CG 4.26Å; Y297-F320 HydrophobicContact CE1-CD1 4.07Å; Y297-F320 HydrophobicContact CE1-CE1 4.26Å; Y297-F320 HydrophobicContact CG-CB 4.28Å; Y297-F320 HydrophobicContact CG-CD1 4.18Å; Y297-F320 HydrophobicContact CG-CG 4.37Å; A316-F320 WeakPolarHBondContact O-CB 3.35Å; A316-F320 PolarHBondContact O-N 3.43Å; S317-F320 PolarHBondContact O-N 3.3Å; S317-F320 VanDerWaalsContact O-N 3.14Å; K318-F320 VanDerWaalsContact C-N 3.34Å; K318-F320 PolarHBondContact O-N 2.95Å; F320-Q322 VanDerWaalsContact C-N 3.25Å; F320-Q322 PolarHBondContact O-N 3.4Å; F320-F323 PolarHBondContact O-N 3.3Å; F320-H326 AromaticContact CE1-CD2 3.98Å; F320-H326 AromaticContact CE2-CD2 3.26Å; F320-H326 WeakPolarHBondContact CE2-CD2 3.2Å; F320-H326 AromaticContact CE2-NE2 3.34Å; F320-H326 VanDerWaalsContact CE2-NE2 3.34Å; F320-H326 WeakPolarHBondContact CE2-NE2 3.32Å; F320-H326 HydrophobicContact CZ-CB 4.26Å; F320-H326 AromaticContact CZ-CD2 3.09Å; F320-H326 WeakPolarHBondContact CZ-CD2 3.47Å; F320-H326 AromaticContact CZ-CG 3.56Å; F320-H326 AromaticContact CZ-NE2 3.52Å; F320-V350 HydrophobicContact CD1-CG1 4.42Å; F320-V350 HydrophobicContact CE1-CG1 3.38Å; F320-V350 HydrophobicContact CZ-CG1 3.55Å
321	L	84.5	Confident	82.5	Confident	78 Å²	78	59 Å²	59	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-28.7	177.8	-70.4	167.8	0	0	0	113	S317 F323 K324 M327	S317-L321 WeakPolarHBondContact O-CB 3.41Å; S317-L321 WeakPolarHBondContact O-CG 3.48Å; S317-L321 PolarHBondContact O-N 3.22Å; L321-F323 PolarHBondContact O-N 3.46Å; L321-F323 VanDerWaalsContact O-N 3.1Å; L321-K324 PolarHBondContact O-N 2.89Å; L321-M327 HydrophobicContact CD2-CE 3.41Å; L321-M327 VanDerWaalsContact CD2-CE 3.41Å
322	Q	84.8	Confident	82.6	Confident	144 Å²	144	62.9 Å²	62.9	67%	0.673	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.4	174.9	-86.1	168.8	-8.9	0	0	114.5	K318 F320 K324	K318-Q322 VanDerWaalsContact O-CG 3.27Å; K318-Q322 WeakPolarHBondContact O-CG 3.47Å; K318-Q322 PolarHBondContact O-N 2.79Å; K318-Q322 VanDerWaalsContact O-N 3.12Å; F320-Q322 VanDerWaalsContact C-N 3.25Å; F320-Q322 PolarHBondContact O-N 3.4Å; Q322-K324 VanDerWaalsContact C-N 3.26Å; Q322-K324 PolarHBondContact O-N 3.39Å
323	F	82.3	Confident	82.3	Confident	45 Å²	45	61.7 Å²	61.7	20%	0.197	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-9.9	178.2	-68.6	-83.3	0	0	0	113.9	A289 C290 A293 K319 F320 L321 T325	A289-F323 VanDerWaalsContact C-CZ 3.44Å; A289-F323 HydrophobicContact CB-CE1 3.85Å; A289-F323 HydrophobicContact CB-CZ 3.7Å; C290-F323 HydrophobicContact CB-CB 4.43Å; C290-F323 HydrophobicContact CB-CD1 3.71Å; C290-F323 HydrophobicContact CB-CD2 4.12Å; C290-F323 HydrophobicContact CB-CE1 3.97Å; C290-F323 HydrophobicContact CB-CE2 4.37Å; C290-F323 HydrophobicContact CB-CG 3.8Å; C290-F323 HydrophobicContact CB-CZ 4.31Å; A293-F323 HydrophobicContact CB-CD2 4.21Å; A293-F323 HydrophobicContact CB-CE2 3.61Å; K319-F323 WeakPolarHBondContact O-CD2 3.37Å; K319-F323 VanDerWaalsContact O-CE2 3.26Å; K319-F323 WeakPolarHBondContact O-CE2 3.41Å; F320-F323 PolarHBondContact O-N 3.3Å; L321-F323 PolarHBondContact O-N 3.46Å; L321-F323 VanDerWaalsContact O-N 3.1Å; F323-T325 WeakPolarHBondContact CB-OG1 3.43Å; F323-T325 PolarHBondContact O-N 2.98Å
324	K	72	Confident	81.9	Confident	122 Å²	122	62.7 Å²	62.7	53%	0.53	30%	0.304	S	S	.	.			trans	57.5	-8.1	-176.4	-54.4	-179.9	-170.8	171.6	0	115.9	D265 L268 L321 Q322 H326	D265-K324 IonicContact OD1-NZ 3.86Å; D265-K324 PolarHBondContact OD1-NZ 3.34Å; D265-K324 IonicContact OD2-NZ 3.85Å; D265-K324 PolarHBondContact OD2-NZ 3.24Å; L268-K324 HydrophobicContact CD1-CB 4.39Å; L321-K324 PolarHBondContact O-N 2.89Å; Q322-K324 VanDerWaalsContact C-N 3.26Å; Q322-K324 PolarHBondContact O-N 3.39Å; K324-H326 PolarHBondContact O-N 3.41Å
325	T	64.3	Low	81.4	Confident	14 Å²	14	69.1 Å²	69.1	9%	0.086	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	6.6	-168.2	36.5	0	0	0	0	116.6	L268 L280 F323	L268-T325 HydrophobicContact CD2-CG2 4.45Å; L280-T325 WeakPolarHBondContact CB-O 3.5Å; L280-T325 WeakPolarHBondContact CD1-O 3.46Å; F323-T325 WeakPolarHBondContact CB-OG1 3.43Å; F323-T325 PolarHBondContact O-N 2.98Å
326	H	66.8	Low	81	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.037	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	3.2	-160.8	-63	-56.3	0	0	0	116.8	L280 C284 F320 K324 Y346 I351	L280-H326 PolarHBondContact O-CE1 3.1Å; C284-H326 VanDerWaalsContact CB-CE1 3.43Å; C284-H326 WeakPolarHBondContact CB-CE1 3.23Å; C284-H326 VanDerWaalsContact CB-NE2 3.31Å; C284-H326 WeakPolarHBondContact CB-NE2 3.46Å; C284-H326 PolarHBondContact SG-NE2 3.24Å; F320-H326 AromaticContact CE1-CD2 3.98Å; F320-H326 AromaticContact CE2-CD2 3.26Å; F320-H326 WeakPolarHBondContact CE2-CD2 3.2Å; F320-H326 AromaticContact CE2-NE2 3.34Å; F320-H326 VanDerWaalsContact CE2-NE2 3.34Å; F320-H326 WeakPolarHBondContact CE2-NE2 3.32Å; F320-H326 HydrophobicContact CZ-CB 4.26Å; F320-H326 AromaticContact CZ-CD2 3.09Å; F320-H326 WeakPolarHBondContact CZ-CD2 3.47Å; F320-H326 AromaticContact CZ-CG 3.56Å; F320-H326 AromaticContact CZ-NE2 3.52Å; K324-H326 PolarHBondContact O-N 3.41Å; H326-Y346 PolarHBondContact CE1-OH 3.01Å; H326-Y346 PolarHBondContact ND1-OH 2.97Å; H326-I351 HydrophobicContact CB-CD1 3.84Å; H326-I351 WeakPolarHBondContact O-CD1 3.21Å
327	M	65	Low	80.5	Confident	117 Å²	117	76.1 Å²	76.1	58%	0.576	37%	0.373	S	S	*	.	S	Bend	trans	-89	148.9	176.8	-70.1	-65.8	161.3	0	0	111.9	L321	L321-M327 HydrophobicContact CD2-CE 3.41Å; L321-M327 VanDerWaalsContact CD2-CE 3.41Å
328	N	71.6	Confident	79.9	Confident	166 Å²	166	77.9 Å²	77.9	89%	0.888	39%	0.392	S	S	*	.	S	Bend	trans	57	51.2	173.9	-60.5	-6.7	0	0	0	115.7
329	C	86	Confident	79.6	Confident	10 Å²	10	77.1 Å²	77.1	7%	0.068	39%	0.386	C	S	.	.			trans	-103.3	149.5	169.8	69.9	0	0	0	0	113.3	C277 L280 K347	C277-C329 VanDerWaalsContact CA-SG 3.52Å; C277-C329 HydrophobicContact CB-CB 3.84Å; C277-C329 WeakPolarHBondContact CB-SG 3.01Å; C277-C329 VanDerWaalsContact SG-C 3.58Å; C277-C329 WeakPolarHBondContact SG-CB 2.97Å; C277-C329 CovalentContact SG-SG 2.03Å; C277-C329 PolarHBondContact SG-SG 3.4Å; L280-C329 HydrophobicContact CD1-CB 3.65Å; C329-K347 PolarHBondContact O-NZ 3.48Å
330	D	87	Confident	79.4	Confident	54 Å²	54	76.6 Å²	76.6	29%	0.289	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-114.8	158	171.4	-159	-17.4	0	0	0	109.7	S276 C277 K332	S276-D330 WeakPolarHBondContact CA-O 3.46Å; C277-D330 PolarHBondContact N-O 2.69Å; D330-K332 WeakPolarHBondContact OD1-CG 3.25Å; D330-K332 PolarHBondContact OD1-N 3.39Å; D330-K332 IonicContact OD1-NZ 2.8Å; D330-K332 WeakPolarHBondContact OD2-CD 3.4Å; D330-K332 WeakPolarHBondContact OD2-CE 3.22Å; D330-K332 IonicContact OD2-NZ 2.66Å; D330-K332 PolarHBondContact OD2-NZ 2.91Å
331	C	89.6	Confident	79.2	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.014	41%	0.409	C	S	.	.	S	Bend	trans	-105.6	-13.2	172.3	-66.9	0	0	0	0	113	S333 E334 Y340 C343 L344	C331-S333 PolarHBondContact O-N 2.69Å; C331-E334 WeakPolarHBondContact O-CB 3.1Å; C331-E334 PolarHBondContact O-N 3.38Å; C331-Y340 HydrophobicContact CB-CD2 4.26Å; C331-Y340 HydrophobicContact CB-CE2 4.08Å; C331-Y340 VanDerWaalsContact O-CD2 3.29Å; C331-Y340 WeakPolarHBondContact O-CD2 3.47Å; C331-C343 WeakPolarHBondContact CA-SG 3.28Å; C331-C343 HydrophobicContact CB-CB 3.7Å; C331-C343 WeakPolarHBondContact CB-SG 3.22Å; C331-C343 WeakPolarHBondContact SG-CB 3.16Å; C331-C343 PolarHBondContact SG-O 3.25Å; C331-C343 VanDerWaalsContact SG-O 3.37Å; C331-C343 CovalentContact SG-SG 2.04Å; C331-C343 PolarHBondContact SG-SG 2.91Å; C331-L344 HydrophobicContact CB-CD2 4.1Å
332	K	84.7	Confident	79.1	Confident	165 Å²	165	83.5 Å²	83.5	72%	0.717	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.4	179.2	-66.3	175.3	-150.3	124.6	0	114.8	D330 E334	D330-K332 WeakPolarHBondContact OD1-CG 3.25Å; D330-K332 PolarHBondContact OD1-N 3.39Å; D330-K332 IonicContact OD1-NZ 2.8Å; D330-K332 WeakPolarHBondContact OD2-CD 3.4Å; D330-K332 WeakPolarHBondContact OD2-CE 3.22Å; D330-K332 IonicContact OD2-NZ 2.66Å; D330-K332 PolarHBondContact OD2-NZ 2.91Å; K332-E334 VanDerWaalsContact C-N 3.34Å
333	S	80.8	Confident	79.3	Confident	51 Å²	51	76.7 Å²	76.7	36%	0.357	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.5	173.9	50.1	0	0	0	0	114	C331 I335	C331-S333 PolarHBondContact O-N 2.69Å; S333-I335 PolarHBondContact O-N 2.89Å
334	E	81.8	Confident	79.6	Confident	21 Å²	21	78.1 Å²	78.1	10%	0.098	38%	0.38	C	S	.	.			trans	-83.7	93.4	-179.1	-68.8	-68.6	-178.9	0	0	112.1	S276 C331 K332 N336 R339 Y340 C343	S276-E334 WeakPolarHBondContact CB-OE1 3.32Å; S276-E334 WeakPolarHBondContact OG-CG 3.49Å; S276-E334 PolarHBondContact OG-OE1 2.91Å; C331-E334 WeakPolarHBondContact O-CB 3.1Å; C331-E334 PolarHBondContact O-N 3.38Å; K332-E334 VanDerWaalsContact C-N 3.34Å; E334-N336 VanDerWaalsContact C-N 3.26Å; E334-N336 PolarHBondContact O-N 2.82Å; E334-R339 HydrophobicContact CB-CB 4.28Å; E334-R339 VanDerWaalsContact CD-NE 3.27Å; E334-R339 HydrophobicContact CG-CB 4.28Å; E334-R339 IonicContact OE1-CZ 3.02Å; E334-R339 IonicContact OE1-NE 3.24Å; E334-R339 PolarHBondContact OE1-NE 2.99Å; E334-R339 VanDerWaalsContact OE1-NE 3.1Å; E334-R339 IonicContact OE1-NH2 2.65Å; E334-R339 PolarHBondContact OE1-NH2 2.04Å; E334-R339 WeakPolarHBondContact OE2-CB 3.47Å; E334-R339 WeakPolarHBondContact OE2-CD 3.38Å; E334-R339 IonicContact OE2-CZ 3.95Å; E334-R339 IonicContact OE2-NE 3.24Å; E334-R339 PolarHBondContact OE2-NE 2.85Å; E334-R339 IonicContact OE2-NH2 3.17Å; E334-Y340 HydrophobicContact CB-CD2 4.35Å; E334-C343 HydrophobicContact CG-CB 4.25Å
335	I	76.4	Confident	80.2	Confident	173 Å²	173	76.1 Å²	76.1	89%	0.887	38%	0.375	S	S	*	.			trans	-65.7	-27.9	-179.3	-56.1	168.6	0	0	0	112.3	S333	S333-I335 PolarHBondContact O-N 2.89Å
336	N	82.5	Confident	81.2	Confident	100 Å²	100	75.8 Å²	75.8	54%	0.535	37%	0.372	S	S	.	.	S	Bend	trans	-85.7	119.3	179.5	-179.4	-69.1	0	0	0	110.3	E334 G338 R339 Y340	E334-N336 VanDerWaalsContact C-N 3.26Å; E334-N336 PolarHBondContact O-N 2.82Å; N336-G338 PolarHBondContact O-N 2.74Å; N336-G338 VanDerWaalsContact O-N 3.11Å; N336-G338 WeakPolarHBondContact OD1-CA 3.04Å; N336-G338 PolarHBondContact OD1-N 2.83Å; N336-R339 HydrophobicContact CB-CB 4.3Å; N336-R339 CarbonylContact O-C 3.56Å; N336-R339 WeakPolarHBondContact O-CA 3.28Å; N336-R339 PolarHBondContact O-N 3.4Å; N336-R339 PolarHBondContact OD1-N 3.35Å; N336-Y340 PolarHBondContact O-N 2.88Å
337	E	78.1	Confident	82.2	Confident	121 Å²	121	78.1 Å²	78.1	57%	0.565	38%	0.383	S	S	*	.	H	α-helix	trans	-54.2	-35.9	-176.5	-160.4	-164.4	163.2	0	0	113.8	Y340 R341	E337-Y340 PolarHBondContact O-N 3.15Å; E337-R341 WeakPolarHBondContact O-CG 3Å; E337-R341 PolarHBondContact O-N 2.85Å; E337-R341 IonicContact OE1-CZ 3.27Å; E337-R341 VanDerWaalsContact OE1-CZ 3.24Å; E337-R341 IonicContact OE1-NE 2.63Å; E337-R341 PolarHBondContact OE1-NE 2.89Å; E337-R341 IonicContact OE1-NH2 2.66Å; E337-R341 PolarHBondContact OE1-NH2 2.83Å
338	G	77	Confident	83.3	Confident	40 Å²	40	79 Å²	79	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-71.2	-30.9	176.8	0	0	0	0	0	113.9	N336 R342	N336-G338 PolarHBondContact O-N 2.74Å; N336-G338 VanDerWaalsContact O-N 3.11Å; N336-G338 WeakPolarHBondContact OD1-CA 3.04Å; N336-G338 PolarHBondContact OD1-N 2.83Å; G338-R342 WeakPolarHBondContact O-CB 3.49Å
339	R	82.5	Confident	83.9	Confident	86 Å²	86	73.4 Å²	73.4	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-74.9	-40.6	166.7	-79.6	-177.1	63.9	132.1	-2.9	110.8	L278 D279 E334 N336 R342 C343	L278-R339 HydrophobicContact CD1-CB 3.73Å; L278-R339 HydrophobicContact CD1-CG 3.89Å; L278-R339 WeakPolarHBondContact CD1-O 3.44Å; D279-R339 IonicContact OD1-NH2 2.66Å; D279-R339 PolarHBondContact OD1-NH2 2.97Å; E334-R339 HydrophobicContact CB-CB 4.28Å; E334-R339 VanDerWaalsContact CD-NE 3.27Å; E334-R339 HydrophobicContact CG-CB 4.28Å; E334-R339 IonicContact OE1-CZ 3.02Å; E334-R339 IonicContact OE1-NE 3.24Å; E334-R339 PolarHBondContact OE1-NE 2.99Å; E334-R339 VanDerWaalsContact OE1-NE 3.1Å; E334-R339 IonicContact OE1-NH2 2.65Å; E334-R339 PolarHBondContact OE1-NH2 2.04Å; E334-R339 WeakPolarHBondContact OE2-CB 3.47Å; E334-R339 WeakPolarHBondContact OE2-CD 3.38Å; E334-R339 IonicContact OE2-CZ 3.95Å; E334-R339 IonicContact OE2-NE 3.24Å; E334-R339 PolarHBondContact OE2-NE 2.85Å; E334-R339 IonicContact OE2-NH2 3.17Å; N336-R339 HydrophobicContact CB-CB 4.3Å; N336-R339 CarbonylContact O-C 3.56Å; N336-R339 WeakPolarHBondContact O-CA 3.28Å; N336-R339 PolarHBondContact O-N 3.4Å; N336-R339 PolarHBondContact OD1-N 3.35Å; R339-R342 PolarHBondContact O-N 2.81Å; R339-C343 VanDerWaalsContact O-CB 3.27Å; R339-C343 WeakPolarHBondContact O-CB 3.39Å; R339-C343 PolarHBondContact O-N 2.9Å
340	Y	84.2	Confident	83.9	Confident	88 Å²	88	73.1 Å²	73.1	35%	0.345	36%	0.357	S	S	.	.	H	α-helix	trans	-58.5	-51.7	179.1	-175.8	-104.6	0	0	0	112.5	C331 E334 N336 E337 R342 C343 L344	C331-Y340 HydrophobicContact CB-CD2 4.26Å; C331-Y340 HydrophobicContact CB-CE2 4.08Å; C331-Y340 VanDerWaalsContact O-CD2 3.29Å; C331-Y340 WeakPolarHBondContact O-CD2 3.47Å; E334-Y340 HydrophobicContact CB-CD2 4.35Å; N336-Y340 PolarHBondContact O-N 2.88Å; E337-Y340 PolarHBondContact O-N 3.15Å; Y340-R342 PolarHBondContact O-N 3.34Å; Y340-C343 VanDerWaalsContact O-CB 3.31Å; Y340-C343 WeakPolarHBondContact O-CB 3.49Å; Y340-C343 PolarHBondContact O-N 3.02Å; Y340-C343 VanDerWaalsContact O-N 3.13Å; Y340-L344 HydrophobicContact CD1-CD1 4.12Å; Y340-L344 HydrophobicContact CE1-CD1 3.53Å; Y340-L344 HydrophobicContact CE1-CG 4.24Å; Y340-L344 PolarHBondContact O-N 2.9Å
341	R	82.6	Confident	83.8	Confident	153 Å²	153	72.6 Å²	72.6	58%	0.577	35%	0.354	S	S	*	.	H	α-helix	trans	-57.8	-49.7	175.7	-67.5	-179.6	-171.8	-153.7	7.4	111.4	E337 C343 L344 D345	E337-R341 WeakPolarHBondContact O-CG 3Å; E337-R341 PolarHBondContact O-N 2.85Å; E337-R341 IonicContact OE1-CZ 3.27Å; E337-R341 VanDerWaalsContact OE1-CZ 3.24Å; E337-R341 IonicContact OE1-NE 2.63Å; E337-R341 PolarHBondContact OE1-NE 2.89Å; E337-R341 IonicContact OE1-NH2 2.66Å; E337-R341 PolarHBondContact OE1-NH2 2.83Å; R341-C343 PolarHBondContact O-N 2.96Å; R341-L344 WeakPolarHBondContact O-CB 3.26Å; R341-L344 PolarHBondContact O-N 3.3Å; R341-D345 PolarHBondContact O-N 2.04Å
342	R	80.9	Confident	83.6	Confident	74 Å²	74	76 Å²	76	28%	0.279	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-31.1	176.8	-173.8	179.9	-68	142.3	2.1	113.2	S31 L278 G338 R339 Y340 Y346	S31-R342 PolarHBondContact O-NH2 3.11Å; S31-R342 PolarHBondContact OG-NH2 2.04Å; L278-R342 HydrophobicContact CD2-CG 4.04Å; G338-R342 WeakPolarHBondContact O-CB 3.49Å; R339-R342 PolarHBondContact O-N 2.81Å; Y340-R342 PolarHBondContact O-N 3.34Å; R342-Y346 VanDerWaalsContact O-CB 3.24Å; R342-Y346 WeakPolarHBondContact O-CB 3.49Å; R342-Y346 PolarHBondContact O-N 3.02Å
343	C	88.9	Confident	83.6	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68.9	-44.2	175	-171.6	0	0	0	0	111	C277 L278 C331 E334 R339 Y340 R341 Y346 K347	C277-C343 VanDerWaalsContact CB-SG 3.59Å; L278-C343 HydrophobicContact CD1-CB 4.27Å; L278-C343 HydrophobicContact CD2-CB 4.3Å; L278-C343 HydrophobicContact CG-CB 3.89Å; C331-C343 WeakPolarHBondContact CA-SG 3.28Å; C331-C343 HydrophobicContact CB-CB 3.7Å; C331-C343 WeakPolarHBondContact CB-SG 3.22Å; C331-C343 WeakPolarHBondContact SG-CB 3.16Å; C331-C343 PolarHBondContact SG-O 3.25Å; C331-C343 VanDerWaalsContact SG-O 3.37Å; C331-C343 CovalentContact SG-SG 2.04Å; C331-C343 PolarHBondContact SG-SG 2.91Å; E334-C343 HydrophobicContact CG-CB 4.25Å; R339-C343 VanDerWaalsContact O-CB 3.27Å; R339-C343 WeakPolarHBondContact O-CB 3.39Å; R339-C343 PolarHBondContact O-N 2.9Å; Y340-C343 VanDerWaalsContact O-CB 3.31Å; Y340-C343 WeakPolarHBondContact O-CB 3.49Å; Y340-C343 PolarHBondContact O-N 3.02Å; Y340-C343 VanDerWaalsContact O-N 3.13Å; R341-C343 PolarHBondContact O-N 2.96Å; C343-Y346 PolarHBondContact O-N 3.24Å; C343-K347 WeakPolarHBondContact O-CB 3.27Å; C343-K347 PolarHBondContact O-N 3.11Å
344	L	88.3	Confident	83.8	Confident	76 Å²	76	73.2 Å²	73.2	40%	0.398	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-47.8	173.5	-64.5	179.5	0	0	0	111.8	C331 Y340 R341 Y346 K347 E348	C331-L344 HydrophobicContact CB-CD2 4.1Å; Y340-L344 HydrophobicContact CD1-CD1 4.12Å; Y340-L344 HydrophobicContact CE1-CD1 3.53Å; Y340-L344 HydrophobicContact CE1-CG 4.24Å; Y340-L344 PolarHBondContact O-N 2.9Å; R341-L344 WeakPolarHBondContact O-CB 3.26Å; R341-L344 PolarHBondContact O-N 3.3Å; L344-Y346 PolarHBondContact O-N 2.82Å; L344-K347 PolarHBondContact O-N 3.14Å; L344-E348 PolarHBondContact O-N 3.4Å
345	D	85	Confident	83.8	Confident	80 Å²	80	72.6 Å²	72.6	43%	0.428	35%	0.352	S	S	.	.	H	α-helix	trans	-54.5	-43.3	175.8	-59.6	-26	0	0	0	111	R341 S349	R341-D345 PolarHBondContact O-N 2.04Å; D345-S349 WeakPolarHBondContact O-CB 3.4Å; D345-S349 PolarHBondContact O-N 3.45Å; D345-S349 PolarHBondContact O-OG 3.42Å
346	Y	85.9	Confident	83.8	Confident	6 Å²	6	65.2 Å²	65.2	2%	0.024	32%	0.315	C	S	.	.	H	α-helix	trans	-67.9	-41.4	177	175.8	-122.1	0	0	0	112.1	C277 L281 L294 H326 R342 C343 L344 V350 I351	C277-Y346 HydrophobicContact CB-CD1 3.8Å; C277-Y346 HydrophobicContact CB-CE1 4.09Å; C277-Y346 WeakPolarHBondContact O-CD1 3.13Å; C277-Y346 WeakPolarHBondContact O-CE1 3.36Å; L281-Y346 HydrophobicContact CB-CD1 4.2Å; L281-Y346 HydrophobicContact CB-CE1 3.75Å; L281-Y346 HydrophobicContact CB-CE2 4.36Å; L281-Y346 HydrophobicContact CD1-CD2 4.4Å; L281-Y346 HydrophobicContact CD1-CE2 3.81Å; L281-Y346 HydrophobicContact CD2-CD1 4.31Å; L281-Y346 HydrophobicContact CD2-CD2 4.03Å; L281-Y346 HydrophobicContact CD2-CE2 4.21Å; L281-Y346 HydrophobicContact CD2-CG 4.06Å; L281-Y346 HydrophobicContact CG-CE2 4.35Å; L294-Y346 HydrophobicContact CD1-CE2 4.46Å; H326-Y346 PolarHBondContact CE1-OH 3.01Å; H326-Y346 PolarHBondContact ND1-OH 2.97Å; R342-Y346 VanDerWaalsContact O-CB 3.24Å; R342-Y346 WeakPolarHBondContact O-CB 3.49Å; R342-Y346 PolarHBondContact O-N 3.02Å; C343-Y346 PolarHBondContact O-N 3.24Å; L344-Y346 PolarHBondContact O-N 2.82Å; Y346-V350 HydrophobicContact CD2-CB 3.81Å; Y346-V350 HydrophobicContact CD2-CG1 4.33Å; Y346-V350 HydrophobicContact CD2-CG2 3.76Å; Y346-V350 HydrophobicContact CE2-CB 3.56Å; Y346-V350 HydrophobicContact CE2-CG1 3.56Å; Y346-V350 HydrophobicContact CE2-CG2 3.7Å; Y346-V350 WeakPolarHBondContact O-CB 3.2Å; Y346-V350 PolarHBondContact O-N 3.33Å; Y346-I351 HydrophobicContact CE1-CD1 4.32Å
347	K	88.6	Confident	82.9	Confident	58 Å²	58	65.5 Å²	65.5	25%	0.252	31%	0.313	S	S	.	.	I	π-helix	trans	-62.4	-52.7	178.1	-175.8	164.1	-178.5	159.2	0	111.2	C329 C343 L344 I351 D352	C329-K347 PolarHBondContact O-NZ 3.48Å; C343-K347 WeakPolarHBondContact O-CB 3.27Å; C343-K347 PolarHBondContact O-N 3.11Å; L344-K347 PolarHBondContact O-N 3.14Å; K347-I351 HydrophobicContact CG-CB 4.21Å; K347-I351 HydrophobicContact CG-CG1 4.44Å; K347-I351 CarbonylContact O-C 3.55Å; K347-I351 WeakPolarHBondContact O-CA 3.41Å; K347-I351 WeakPolarHBondContact O-CB 3.39Å; K347-I351 PolarHBondContact O-N 3.07Å; K347-D352 WeakPolarHBondContact CE-OD1 3.34Å; K347-D352 WeakPolarHBondContact CE-OD2 3.36Å; K347-D352 WeakPolarHBondContact CG-OD2 3.42Å; K347-D352 PolarHBondContact O-N 2.9Å
348	E	87.2	Confident	81.5	Confident	134 Å²	134	64.9 Å²	64.9	63%	0.626	31%	0.313	S	S	*	.	I	π-helix	trans	-63.6	-44.8	178.7	-175.4	175.5	-164	0	0	112.5	L344 D352	L344-E348 PolarHBondContact O-N 3.4Å; E348-D352 CarbonylContact O-C 3.58Å
349	S	83.4	Confident	79.8	Confident	50 Å²	50	63.6 Å²	63.6	35%	0.35	30%	0.297	S	S	.	.	I	π-helix	trans	-79.2	-18.2	-174.7	65.7	0	0	0	0	115.1	D345 N353	D345-S349 WeakPolarHBondContact O-CB 3.4Å; D345-S349 PolarHBondContact O-N 3.45Å; D345-S349 PolarHBondContact O-OG 3.42Å; S349-N353 PolarHBondContact O-ND2 2.77Å
350	V	86	Confident	77.9	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.024	30%	0.303	C	S	.	.	I	π-helix	trans	-128.4	-34.1	-174.1	176.7	0	0	0	0	114.9	L294 Y297 R298 F320 Y346	L294-V350 HydrophobicContact CD1-CG1 3.85Å; L294-V350 HydrophobicContact CD1-CG2 4.2Å; Y297-V350 HydrophobicContact CD1-CG1 4.22Å; Y297-V350 HydrophobicContact CE1-CB 4.24Å; Y297-V350 HydrophobicContact CE1-CG1 3.83Å; Y297-V350 HydrophobicContact CE1-CG2 4.42Å; Y297-V350 PolarHBondContact OH-O 3.08Å; R298-V350 HydrophobicContact CG-CG2 4.01Å; F320-V350 HydrophobicContact CD1-CG1 4.42Å; F320-V350 HydrophobicContact CE1-CG1 3.38Å; F320-V350 HydrophobicContact CZ-CG1 3.55Å; Y346-V350 HydrophobicContact CD2-CB 3.81Å; Y346-V350 HydrophobicContact CD2-CG1 4.33Å; Y346-V350 HydrophobicContact CD2-CG2 3.76Å; Y346-V350 HydrophobicContact CE2-CB 3.56Å; Y346-V350 HydrophobicContact CE2-CG1 3.56Å; Y346-V350 HydrophobicContact CE2-CG2 3.7Å; Y346-V350 WeakPolarHBondContact O-CB 3.2Å; Y346-V350 PolarHBondContact O-N 3.33Å
351	I	85.7	Confident	75.6	Confident	42 Å²	42	65.2 Å²	65.2	22%	0.215	32%	0.323	C	S	.	.	I	π-helix	trans	-94.9	-58.1	-177.2	-47	-57.2	0	0	0	109.5	H326 Y346 K347 N353	H326-I351 HydrophobicContact CB-CD1 3.84Å; H326-I351 WeakPolarHBondContact O-CD1 3.21Å; Y346-I351 HydrophobicContact CE1-CD1 4.32Å; K347-I351 HydrophobicContact CG-CB 4.21Å; K347-I351 HydrophobicContact CG-CG1 4.44Å; K347-I351 CarbonylContact O-C 3.55Å; K347-I351 WeakPolarHBondContact O-CA 3.41Å; K347-I351 WeakPolarHBondContact O-CB 3.39Å; K347-I351 PolarHBondContact O-N 3.07Å; I351-N353 PolarHBondContact O-N 3.19Å; I351-N353 VanDerWaalsContact O-N 3.17Å
352	D	85.2	Confident	73.4	Confident	74 Å²	74	65.6 Å²	65.6	40%	0.396	33%	0.332	S	S	.	.	S	Bend	trans	-90.6	32.4	-175.6	-51.7	-8	0	0	0	110.5	K347 E348 K354	K347-D352 WeakPolarHBondContact CE-OD1 3.34Å; K347-D352 WeakPolarHBondContact CE-OD2 3.36Å; K347-D352 WeakPolarHBondContact CG-OD2 3.42Å; K347-D352 PolarHBondContact O-N 2.9Å; E348-D352 CarbonylContact O-C 3.58Å; D352-K354 PolarHBondContact O-N 3.08Å; D352-K354 VanDerWaalsContact O-N 3.16Å
353	N	84.9	Confident	71	Confident	17 Å²	17	68.6 Å²	68.6	9%	0.091	35%	0.349	C	S	.	.			trans	-79.3	102.8	-172	-176.3	-35.9	0	0	0	111.2	Y297 C301 S349 I351 C355 V356	Y297-N353 VanDerWaalsContact OH-CB 3.28Å; Y297-N353 WeakPolarHBondContact OH-CB 3.15Å; C301-N353 PolarHBondContact O-ND2 2.91Å; S349-N353 PolarHBondContact O-ND2 2.77Å; I351-N353 PolarHBondContact O-N 3.19Å; I351-N353 VanDerWaalsContact O-N 3.17Å; N353-C355 PolarHBondContact O-N 3.41Å; N353-C355 WeakPolarHBondContact OD1-CB 3.34Å; N353-C355 PolarHBondContact OD1-N 3.18Å; N353-C355 VanDerWaalsContact OD1-N 3.11Å; N353-V356 PolarHBondContact O-N 3.34Å
354	K	83.9	Confident	68.1	Low	140 Å²	140	74.1 Å²	74.1	61%	0.609	38%	0.383	S	S	*	.	H	α-helix	trans	-51.8	-26.5	-176.4	-64.6	171.7	-176.8	168.5	0	115	D352 V356 E357 I358	D352-K354 PolarHBondContact O-N 3.08Å; D352-K354 VanDerWaalsContact O-N 3.16Å; K354-V356 PolarHBondContact O-N 3.42Å; K354-E357 PolarHBondContact O-N 3.44Å; K354-I358 WeakPolarHBondContact O-CD1 3.36Å; K354-I358 VanDerWaalsContact O-CG1 3.26Å; K354-I358 WeakPolarHBondContact O-CG1 3.23Å; K354-I358 PolarHBondContact O-N 3.41Å
355	C	82.2	Confident	65.1	Low	9 Å²	9	78 Å²	78	6%	0.061	40%	0.404	C	S	.	.	H	α-helix	trans	-62	-26.8	175.3	-66.4	0	0	0	0	113.1	C306 N353	C306-C355 HydrophobicContact CB-CB 4.23Å; C306-C355 WeakPolarHBondContact CB-SG 3.19Å; C306-C355 WeakPolarHBondContact SG-CA 3.46Å; C306-C355 WeakPolarHBondContact SG-CB 3.41Å; C306-C355 CovalentContact SG-SG 2.04Å; C306-C355 PolarHBondContact SG-SG 3.49Å; N353-C355 PolarHBondContact O-N 3.41Å; N353-C355 WeakPolarHBondContact OD1-CB 3.34Å; N353-C355 PolarHBondContact OD1-N 3.18Å; N353-C355 VanDerWaalsContact OD1-N 3.11Å
356	V	77.9	Confident	62.3	Low	17 Å²	17	79.8 Å²	79.8	10%	0.103	42%	0.422	C	S	.	.	H	α-helix	trans	-90.2	-43.2	178	-170.6	0	0	0	0	111.2	Y297 L314 N353 K354 I358 S359 S360	Y297-V356 HydrophobicContact CE2-CG2 3.76Å; Y297-V356 WeakPolarHBondContact OH-CG2 3.05Å; L314-V356 HydrophobicContact CD2-CG1 4.35Å; N353-V356 PolarHBondContact O-N 3.34Å; K354-V356 PolarHBondContact O-N 3.42Å; V356-I358 VanDerWaalsContact C-N 3.28Å; V356-I358 PolarHBondContact O-N 3.46Å; V356-S359 PolarHBondContact O-N 2.91Å; V356-S360 PolarHBondContact O-N 2.79Å; V356-S360 VanDerWaalsContact O-N 3.13Å; V356-S360 PolarHBondContact O-OG 3.14Å
357	E	62.6	Low	59.7	Low	106 Å²	106	85.7 Å²	85.7	50%	0.495	46%	0.459	S	S	.	.	H	α-helix	trans	-53.8	-42.2	-179.8	-65	-170.1	114.2	0	0	113	K354 S359 S360	K354-E357 PolarHBondContact O-N 3.44Å; E357-S359 PolarHBondContact O-N 3.07Å; E357-S360 PolarHBondContact O-N 2.91Å
358	I	47.9	Very low	56.9	Low	108 Å²	108	90.9 Å²	90.9	55%	0.554	49%	0.489	S	S	*	.	H	α-helix	trans	-56.4	-17.2	177.4	-69.3	166.3	0	0	0	112.7	K354 V356	K354-I358 WeakPolarHBondContact O-CD1 3.36Å; K354-I358 VanDerWaalsContact O-CG1 3.26Å; K354-I358 WeakPolarHBondContact O-CG1 3.23Å; K354-I358 PolarHBondContact O-N 3.41Å; V356-I358 VanDerWaalsContact C-N 3.28Å; V356-I358 PolarHBondContact O-N 3.46Å
359	S	43.1	Very low	54	Low	13 Å²	13	87.4 Å²	87.4	9%	0.091	49%	0.49	C	S	.	.	H	α-helix	trans	-115.3	-22	-177.4	-46.6	0	0	0	0	114	K310 L314 V356 E357 N361 Q362	K310-S359 WeakPolarHBondContact CE-OG 3.43Å; L314-S359 WeakPolarHBondContact CD1-OG 3.38Å; L314-S359 VanDerWaalsContact CD2-CB 3.47Å; V356-S359 PolarHBondContact O-N 2.91Å; E357-S359 PolarHBondContact O-N 3.07Å; S359-N361 VanDerWaalsContact C-N 3.29Å; S359-N361 PolarHBondContact O-N 3.3Å; S359-Q362 PolarHBondContact O-N 2.91Å
360	S	42.4	Very low	51.6	Low	63 Å²	63	93 Å²	93	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-37.7	174.9	-63.1	0	0	0	0	112	V356 E357 Q362 Q363	V356-S360 PolarHBondContact O-N 2.79Å; V356-S360 VanDerWaalsContact O-N 3.13Å; V356-S360 PolarHBondContact O-OG 3.14Å; E357-S360 PolarHBondContact O-N 2.91Å; S360-Q362 PolarHBondContact O-N 3.23Å; S360-Q362 VanDerWaalsContact O-N 3.08Å; S360-Q363 PolarHBondContact O-N 3.47Å
361	N	35.8	Very low	48.8	Very low	145 Å²	145	101.3 Å²	101.3	78%	0.775	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	2.6	-179.7	-65.6	-17.8	0	0	0	114.1	S359	S359-N361 VanDerWaalsContact C-N 3.29Å; S359-N361 PolarHBondContact O-N 3.3Å
362	Q	35	Very low	46	Very low	161 Å²	161	106.9 Å²	106.9	75%	0.752	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	7.1	169.7	-68.6	-173.3	-39	0	0	113.2	S359 S360	S359-Q362 PolarHBondContact O-N 2.91Å; S360-Q362 PolarHBondContact O-N 3.23Å; S360-Q362 VanDerWaalsContact O-N 3.08Å
363	Q	31	Very low	43.2	Very low	137 Å²	137	111.5 Å²	111.5	64%	0.64	60%	0.6	S	S	*	*	S	Bend	trans	-124.7	27.4	177.9	-57.6	-140.2	-79.9	0	0	114.3	S360	S360-Q363 PolarHBondContact O-N 3.47Å
364	V	27.6	Very low	40.3	Very low	117 Å²	117	120.9 Å²	120.9	71%	0.709	64%	0.636	S	S	*	*	S	Bend	trans	-133.1	90.8	166.2	-175	0	0	0	0	109.3
365	N	26.3	Very low	37.5	Very low	158 Å²	158	119.6 Å²	119.6	85%	0.845	65%	0.645	S	S	*	*			trans	163.7	85.4	154.3	-87.7	-23.4	0	0	0	110.7
366	S	27.1	Very low	34.7	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	68%	0.681	S	S	*	*			trans	-161.4	119.6	160.5	-96.3	0	0	0	0	111.8
367	V	30.6	Very low	32.2	Very low	130 Å²	130	132.7 Å²	132.7	79%	0.788	71%	0.709	S	S	*	*			trans	64.1	95.5	158.7	-168.9	0	0	0	0	117
368	N	29.4	Very low	30.4	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	72%	0.717	S	S	*	*			trans	-64.6	147.9	144.9	-87.3	-8.3	0	0	0	109.3
369	G	26.7	Very low	29.4	Very low	62 Å²	62	135.6 Å²	135.6	64%	0.639	73%	0.726	S	S	*	*			trans	-53.9	157.8	-164.4	0	0	0	0	0	118.3
370	N	31.8	Very low	28.6	Very low	168 Å²	168	141.8 Å²	141.8	90%	0.898	76%	0.758	S	S	*	*				-142	164.7	102.4	-90.9	-20.1	0	0	0	110.2
371	E	27.7	Very low	27.9	Very low	178 Å²	178	145.9 Å²	145.9	83%	0.832	77%	0.774	S	S	*	*			trans	-87.6	151.3	-163.4	-58.5	164.3	120.2	0	0	113
372	M	27.1	Very low	27.5	Very low	158 Å²	158	145.2 Å²	145.2	78%	0.778	77%	0.766	S	S	*	*				150.7	108.5	114.7	-168	157.1	-75.8	0	0	113.5
373	E	26.9	Very low	27.2	Very low	171 Å²	171	144.4 Å²	144.4	80%	0.799	76%	0.76	S	S	*	*			trans	72.4	146.1	141.9	-157	154.9	-159.3	0	0	122.5
374	Y	23.6	Very low	27	Very low	215 Å²	215	144.1 Å²	144.1	84%	0.843	76%	0.763	S	S	*	*			trans	-33.2	140.8	176.3	-81.6	-116.7	0	0	0	117.8
375	S	24.8	Very low	26.9	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	77%	0.765	S	S	*	*				-172.6	162.4	91.5	-163.5	0	0	0	0	114.7
376	F	23.2	Very low	26.9	Very low	188 Å²	188	143.6 Å²	143.6	83%	0.825	76%	0.76	S	S	*	*			trans	-72.9	156.7	170.6	-106	-126.8	0	0	0	113.2
377	V	26.4	Very low	26.9	Very low	113 Å²	113	144 Å²	144	69%	0.685	76%	0.758	S	S	*	*			trans	83.8	128	147.9	168.5	0	0	0	0	120.5
378	N	25.5	Very low	26.7	Very low	126 Å²	126	145 Å²	145	67%	0.674	76%	0.757	S	S	*	*			trans	65.2	120.7	157.5	-75.3	-4.9	0	0	0	122.4
379	M	24.9	Very low	26.9	Very low	149 Å²	149	142.2 Å²	142.2	73%	0.734	75%	0.748	S	S	*	*				45.2	133.9	125.1	-60.1	-168.6	-73.4	0	0	121.3
380	N	26.6	Very low	26.9	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	75%	0.754	S	S	*	*			trans	89.4	105.8	161.1	-52.3	-36.1	0	0	0	117.2
381	L	27.8	Very low	26.8	Very low	149 Å²	149	142.4 Å²	142.4	78%	0.78	75%	0.747	S	S	*	*				42.9	120.1	98.8	-158.3	66.5	0	0	0	114.4
382	E	27.5	Very low	27.2	Very low	131 Å²	131	138.6 Å²	138.6	61%	0.612	74%	0.738	S	S	*	*			cis	-168.3	166.6	49.9	-149.6	176.1	-169.3	0	0	114.9
383	K	29.2	Very low	27.4	Very low	144 Å²	144	136.6 Å²	136.6	63%	0.626	73%	0.73	S	S	*	*			trans	67.9	106	148.7	-89	152.7	-163.2	156.9	0	122.7
384	N	27.6	Very low	27.6	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	73%	0.734	S	S	*	*				84.8	102.1	109.9	-73.6	16.5	0	0	0	124.3
385	L	24.9	Very low	28.1	Very low	143 Å²	143	135.7 Å²	135.7	75%	0.749	73%	0.725	S	S	*	*				85.3	135.1	105.1	-113.9	73.5	0	0	0	123.5
386	V	26.3	Very low	28.6	Very low	122 Å²	122	137.4 Å²	137.4	74%	0.739	73%	0.731	S	S	*	*			trans	62.4	145.9	157.7	-112.6	0	0	0	0	118.2
387	T	27	Very low	28.8	Very low	126 Å²	126	132.9 Å²	132.9	77%	0.773	73%	0.728	S	S	*	*			cis	-155.4	159.1	20.6	-36.8	0	0	0	0	114.3
388	I	26.8	Very low	29.2	Very low	150 Å²	150	134 Å²	134	77%	0.769	74%	0.735	S	S	*	*			trans	-74.4	-169.1	165.4	14.8	170.2	0	0	0	112.8
389	P	32.9	Very low	29.7	Very low	107 Å²	107	135.7 Å²	135.7	70%	0.695	74%	0.739	S	S	*	*			cis	-133.9	-161.2	-32.2	31.8	-10	0	0	0	113.6
390	V	26.2	Very low	30	Very low	129 Å²	129	134.2 Å²	134.2	78%	0.782	73%	0.734	S	S	*	*			trans	144.1	102.4	132.9	171.6	0	0	0	0	116.9
391	S	30.7	Very low	30.3	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	73%	0.732	S	S	*	*				69.9	178.3	119.4	-123.2	0	0	0	0	122.8
392	P	36.4	Very low	30.4	Very low	99 Å²	99	131.4 Å²	131.4	64%	0.643	73%	0.728	S	S	*	*				-143.3	-146.1	-97.6	48.6	-27.7	0	0	0	116.5
393	D	30.8	Very low	30.6	Very low	115 Å²	115	133.6 Å²	133.6	62%	0.615	74%	0.735	S	S	*	*			trans	100.4	127.5	156.4	-70.3	-35.6	0	0	0	121.6
394	Y	30.4	Very low	30.6	Very low	228 Å²	228	133.9 Å²	133.9	89%	0.894	74%	0.743	S	S	*	*				-160.8	158	110.3	-120.6	-91.2	0	0	0	112.3
395	H	34.1	Very low	30.7	Very low	140 Å²	140	134.4 Å²	134.4	65%	0.648	75%	0.745	S	S	*	*			trans	-103.7	161.9	-164.2	-58.1	-84.2	0	0	0	115.9
396	T	34.9	Very low	30.8	Very low	149 Å²	149	135.4 Å²	135.4	91%	0.914	75%	0.746	S	S	*	*				178.5	163.4	108.5	31.5	0	0	0	0	114
397	A	28.7	Very low	31.1	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	75%	0.753	S	S	*	*			trans	-164.4	144.3	-138	0	0	0	0	0	115
398	V	33.9	Very low	31.1	Very low	136 Å²	136	135 Å²	135	82%	0.824	75%	0.754	S	S	*	*			trans	-157.4	110.1	163.4	171.4	0	0	0	0	105.9
399	Q	36.6	Very low	31.4	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.752	76%	0.756	S	S	*	*				62.2	134.7	68.5	-65.3	-154.6	20.2	0	0	115.1
400	N	30.8	Very low	31.1	Very low	119 Å²	119	136.7 Å²	136.7	64%	0.636	76%	0.762	S	S	*	*			cis	-165.6	164.8	-7.9	-118.4	-21	0	0	0	112.7
401	N	32.3	Very low	31.3	Very low	134 Å²	134	136 Å²	136	72%	0.717	76%	0.761	S	S	*	*			trans	75.5	103.3	149.1	-69.5	-25.4	0	0	0	124.2
402	S	30	Very low	31.1	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	77%	0.765	S	S	*	*				92.8	123.1	112	-82.3	0	0	0	0	123.7
403	K	33.2	Very low	30.6	Very low	176 Å²	176	139.3 Å²	139.3	77%	0.765	77%	0.768	S	S	*	*			trans	90.3	93.8	136.4	-69.2	173.5	-175.6	179.6	0	121.6
404	N	29.2	Very low	30.5	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	78%	0.781	S	S	*	*				92.5	141.8	121.1	-64.4	7.1	0	0	0	121.3
405	L	28.6	Very low	30.2	Very low	142 Å²	142	141 Å²	141	74%	0.743	77%	0.773	S	S	*	*			trans	84.7	100.6	154.9	-141.6	69	0	0	0	119.1
406	E	26.8	Very low	30.1	Very low	163 Å²	163	139 Å²	139	76%	0.762	77%	0.774	S	S	*	*			trans	51.9	96.1	138.7	-62.9	168.3	-172	0	0	119.1
407	N	32.5	Very low	29.7	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	76%	0.76	S	S	*	*			trans	-147.9	123.3	141.6	-98.3	-67.7	0	0	0	109.3
408	G	26.6	Very low	29.6	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	75%	0.754	S	S	*	*			trans	-81.8	139.5	-178.5	0	0	0	0	0	112.5
409	T	33.3	Very low	29.3	Very low	135 Å²	135	142 Å²	142	83%	0.828	75%	0.754	S	S	*	*			trans	-146.2	142.5	174.1	-57.2	0	0	0	0	110.7
410	L	28	Very low	28.8	Very low	156 Å²	156	139.5 Å²	139.5	82%	0.817	75%	0.751	S	S	*	*			trans	-69.8	172.3	178.4	-81.6	70.1	0	0	0	112.4
411	P	28.6	Very low	28.8	Very low	116 Å²	116	137.9 Å²	137.9	75%	0.753	75%	0.749	S	S	*	*			cis	-130.4	161.6	-36.6	35	-19.8	0	0	0	112.1
412	V	27.6	Very low	28.6	Very low	134 Å²	134	139.6 Å²	139.6	81%	0.812	76%	0.758	S	S	*	*			trans	-112.6	151.5	179	178.2	0	0	0	0	111.8
413	L	25	Very low	28.8	Very low	138 Å²	138	142.2 Å²	142.2	72%	0.723	76%	0.762	S	S	*	*			trans	-55.7	149.5	-178.3	-66.5	75.9	0	0	0	113.3
414	Y	28.7	Very low	28.6	Very low	223 Å²	223	139.6 Å²	139.6	88%	0.875	77%	0.767	S	S	*	*			trans	-110.3	94.3	153.3	-90.4	-81	0	0	0	111
415	Q	25.9	Very low	28.6	Very low	156 Å²	156	135.5 Å²	135.5	73%	0.729	76%	0.76	S	S	*	*			trans	-107.7	109.1	164.9	-134	179.4	-5.1	0	0	107.4
416	S	31.1	Very low	28.7	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	77%	0.765	S	S	*	*			trans	-158.3	90.3	-178.6	53.9	0	0	0	0	108.1
417	H	27.2	Very low	28.7	Very low	134 Å²	134	136.1 Å²	136.1	62%	0.62	77%	0.768	S	S	*	*			cis	81.8	122.9	33.6	-138.9	-31.4	0	0	0	112.9
418	F	25.7	Very low	28.5	Very low	144 Å²	144	135.7 Å²	135.7	63%	0.632	77%	0.765	S	S	*	*			trans	73.3	109.7	171.8	-52.1	-72.7	0	0	0	119.9	T420	F418-T420 HydrophobicContact CD1-CG2 3.92Å; F418-T420 HydrophobicContact CE1-CG2 4.45Å
419	I	27.4	Very low	28.7	Very low	163 Å²	163	139 Å²	139	84%	0.836	77%	0.765	S	S	*	*				-118.4	96.6	117.9	-60	-179.2	0	0	0	107.2
420	T	26	Very low	28.4	Very low	110 Å²	110	141.8 Å²	141.8	68%	0.675	77%	0.768	S	S	*	*			trans	-102.4	90	166.4	41	0	0	0	0	108.8	F418	F418-T420 HydrophobicContact CD1-CG2 3.92Å; F418-T420 HydrophobicContact CE1-CG2 4.45Å
421	S	31.2	Very low	28.6	Very low	85 Å²	85	142.1 Å²	142.1	59%	0.594	77%	0.77	S	S	*	*			trans	-101.2	86.5	174.2	53.6	0	0	0	0	110.4	I423	S421-I423 PolarHBondContact O-N 2.78Å
422	N	27.8	Very low	28.8	Very low	169 Å²	169	140.7 Å²	140.7	90%	0.904	76%	0.76	S	S	*	*			trans	-67.3	84.5	163.7	-79.2	-11.5	0	0	0	109.1
423	I	33.7	Very low	29	Very low	153 Å²	153	139.5 Å²	139.5	79%	0.785	75%	0.749	S	S	*	*			trans	-100.9	104	167.2	-62.9	-178.3	0	0	0	107.6	S421	S421-I423 PolarHBondContact O-N 2.78Å
424	S	29.4	Very low	29.4	Very low	122 Å²	122	139.1 Å²	139.1	85%	0.853	75%	0.746	S	S	*	*			trans	-75.5	123	176.3	54.1	0	0	0	0	111.3
425	G	28.8	Very low	29.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	74%	0.738	S	S	*	*			trans	122.1	152.4	152.3	0	0	0	0	0	116.8
426	Q	31.2	Very low	29.8	Very low	183 Å²	183	132 Å²	132	86%	0.855	73%	0.726	S	S	*	*			trans	69.4	73.1	161.2	-55.9	-175.2	10.2	0	0	117
427	T	26.9	Very low	29.9	Very low	135 Å²	135	132.9 Å²	132.9	83%	0.828	72%	0.722	S	S	*	*				35.7	137.7	115.6	58.7	0	0	0	0	120
428	L	29.3	Very low	30.2	Very low	155 Å²	155	130.3 Å²	130.3	81%	0.812	72%	0.715	S	S	*	*			trans	78.7	74.3	159.6	-161.8	80.1	0	0	0	116
429	N	30	Very low	30.5	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	71%	0.712	S	S	*	*			trans	-161.5	26.9	149.2	-97.7	-21.8	0	0	0	113.5	L431	N429-L431 VanDerWaalsContact C-N 3.32Å; N429-L431 PolarHBondContact O-N 3.3Å
430	E	27.5	Very low	30.6	Very low	192 Å²	192	127.2 Å²	127.2	90%	0.897	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	77.9	179.7	-68.6	176.2	106.6	0	0	112.7
431	L	31.4	Very low	31	Very low	163 Å²	163	127.1 Å²	127.1	85%	0.853	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.3	-11.3	163.4	-139.8	71.3	0	0	0	115.7	N429	N429-L431 VanDerWaalsContact C-N 3.32Å; N429-L431 PolarHBondContact O-N 3.3Å
432	T	33.8	Very low	31.1	Very low	87 Å²	87	128.7 Å²	128.7	53%	0.534	70%	0.701	S	S	.	*	S	Bend	trans	-91.5	-34	-174.4	45.2	0	0	0	0	114.7	I434 E435	T432-I434 PolarHBondContact O-N 2.83Å; T432-E435 PolarHBondContact O-N 3.41Å
433	D	31.8	Very low	31.6	Very low	109 Å²	109	126.1 Å²	126.1	58%	0.583	69%	0.687	S	S	*	*	H	α-helix	trans	-80.6	2	-159.2	-56.4	-8.2	0	0	0	114.5	T436 I437	D433-T436 PolarHBondContact O-OG1 2.83Å; D433-I437 WeakPolarHBondContact O-CD1 3.36Å; D433-I437 WeakPolarHBondContact O-CG1 3.05Å
434	I	32.4	Very low	32.2	Very low	129 Å²	129	121.9 Å²	121.9	66%	0.662	67%	0.666	S	S	*	*	H	α-helix	trans	-81.1	-26.5	172.4	-62.7	175.8	0	0	0	110.8	T432 V438	T432-I434 PolarHBondContact O-N 2.83Å; I434-V438 PolarHBondContact O-N 2.05Å
435	E	32.3	Very low	33.2	Very low	152 Å²	152	119.9 Å²	119.9	71%	0.71	65%	0.646	S	S	*	*	H	α-helix	trans	-71.4	-33.2	-177.9	-163.4	160.2	-144.1	0	0	112	T432 S439	T432-E435 PolarHBondContact O-N 3.41Å; E435-S439 PolarHBondContact O-OG 3.15Å
436	T	31.3	Very low	34.7	Very low	79 Å²	79	118.8 Å²	118.8	49%	0.485	62%	0.623	S	S	.	*	H	α-helix	trans	-69.7	-48.8	172.2	17.4	0	0	0	0	112.7	D433 V438 S439 E440	D433-T436 PolarHBondContact O-OG1 2.83Å; T436-V438 VanDerWaalsContact C-N 3.29Å; T436-V438 PolarHBondContact O-N 3.22Å; T436-S439 WeakPolarHBondContact O-CA 3.24Å; T436-S439 WeakPolarHBondContact O-CB 3.42Å; T436-S439 PolarHBondContact O-N 2.95Å; T436-E440 PolarHBondContact O-N 3.43Å; T436-E440 VanDerWaalsContact O-N 3.11Å
437	I	32.3	Very low	36.8	Very low	115 Å²	115	112.9 Å²	112.9	59%	0.59	60%	0.596	S	S	*	*	H	α-helix	trans	-64.3	-32.5	-172.8	-64.5	170	0	0	0	112.4	D433	D433-I437 WeakPolarHBondContact O-CD1 3.36Å; D433-I437 WeakPolarHBondContact O-CG1 3.05Å
438	V	33.2	Very low	39.3	Very low	79 Å²	79	106.4 Å²	106.4	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-75.2	-28.7	173.9	179.4	0	0	0	0	111.8	I434 T436	I434-V438 PolarHBondContact O-N 2.05Å; T436-V438 VanDerWaalsContact C-N 3.29Å; T436-V438 PolarHBondContact O-N 3.22Å
439	S	32.6	Very low	41.4	Very low	80 Å²	80	103 Å²	103	56%	0.559	53%	0.533	S	S	*	.	H	α-helix	trans	-75	-30.3	179.5	-59.8	0	0	0	0	113.1	E435 T436 T441	E435-S439 PolarHBondContact O-OG 3.15Å; T436-S439 WeakPolarHBondContact O-CA 3.24Å; T436-S439 WeakPolarHBondContact O-CB 3.42Å; T436-S439 PolarHBondContact O-N 2.95Å; S439-T441 VanDerWaalsContact C-N 3.27Å; S439-T441 PolarHBondContact O-N 2.81Å
440	E	30.7	Very low	43.6	Very low	162 Å²	162	96.8 Å²	96.8	76%	0.757	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.7	-177.1	-70.2	-174.7	153.3	0	0	115.2	T436	T436-E440 PolarHBondContact O-N 3.43Å; T436-E440 VanDerWaalsContact O-N 3.11Å
441	T	33.7	Very low	46	Very low	109 Å²	109	87.7 Å²	87.7	67%	0.669	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-5.6	-179.1	54.3	0	0	0	0	115.2	S439	S439-T441 VanDerWaalsContact C-N 3.27Å; S439-T441 PolarHBondContact O-N 2.81Å
442	W	33.9	Very low	48.1	Very low	118 Å²	118	81.3 Å²	81.3	45%	0.447	42%	0.424	S	S	.	.			trans	-128	81.1	170.2	-75.2	-26.8	0	0	0	111.1	N444 P575	W442-N444 VanDerWaalsContact C-N 3.27Å; W442-N444 PolarHBondContact O-N 3.43Å; W442-P575 HydrophobicContact CD2-CG 3.82Å; W442-P575 HydrophobicContact CE3-CG 3.6Å; W442-P575 HydrophobicContact CH2-CG 4.02Å; W442-P575 HydrophobicContact CZ2-CG 4.22Å; W442-P575 HydrophobicContact CZ3-CG 3.7Å
443	D	37.9	Very low	49.9	Very low	114 Å²	114	81.3 Å²	81.3	61%	0.61	42%	0.415	S	S	*	.			trans	-68.3	89.8	162.8	-170.7	-2.6	0	0	0	109.6	N445	D443-N445 PolarHBondContact O-N 2.88Å; D443-N445 WeakPolarHBondContact OD1-CA 3.28Å; D443-N445 WeakPolarHBondContact OD1-CB 3.46Å; D443-N445 PolarHBondContact OD1-N 3.43Å
444	N	46	Very low	51.8	Low	65 Å²	65	79 Å²	79	35%	0.348	40%	0.401	S	S	.	.			trans	-67.8	-12.9	175	-69.2	-54.3	0	0	0	112.2	W442 M446	W442-N444 VanDerWaalsContact C-N 3.27Å; W442-N444 PolarHBondContact O-N 3.43Å; N444-M446 VanDerWaalsContact C-N 3.35Å; N444-M446 PolarHBondContact O-N 3.24Å
445	N	50.5	Low	53.7	Low	80 Å²	80	72.9 Å²	72.9	43%	0.428	37%	0.37	S	S	.	.			trans	-97.7	44.5	-175.8	-73.6	-54.9	0	0	0	112.8	D443 E447 T510	D443-N445 PolarHBondContact O-N 2.88Å; D443-N445 WeakPolarHBondContact OD1-CA 3.28Å; D443-N445 WeakPolarHBondContact OD1-CB 3.46Å; D443-N445 PolarHBondContact OD1-N 3.43Å; N445-E447 PolarHBondContact O-N 2.96Å; N445-T510 PolarHBondContact OD1-OG1 3.17Å
446	M	60.2	Low	55.5	Low	41 Å²	41	67.6 Å²	67.6	20%	0.202	35%	0.346	C	S	.	.			trans	-62.3	99.5	165.5	-76.8	-71.4	-57.9	0	0	109.9	N444 C448 I451 E454 K505	N444-M446 VanDerWaalsContact C-N 3.35Å; N444-M446 PolarHBondContact O-N 3.24Å; M446-C448 PolarHBondContact O-N 3.17Å; M446-I451 HydrophobicContact CB-CD1 3.97Å; M446-I451 HydrophobicContact CB-CG1 4.03Å; M446-I451 HydrophobicContact CE-CG1 4.2Å; M446-I451 WeakPolarHBondContact O-CD1 3.25Å; M446-E454 VanDerWaalsContact CE-OE2 3.29Å; M446-E454 WeakPolarHBondContact CE-OE2 3.41Å; M446-K505 HydrophobicContact CB-CD 4.29Å; M446-K505 HydrophobicContact CE-CD 4.42Å; M446-K505 HydrophobicContact CG-CD 4.02Å
447	E	74.3	Confident	57.2	Low	59 Å²	59	68.6 Å²	68.6	28%	0.276	35%	0.345	S	S	.	.			trans	-45.1	135.8	173.7	-59.8	164.2	155.2	0	0	110.4	N445 Y449 S450 I451 T510 K652	N445-E447 PolarHBondContact O-N 2.96Å; E447-Y449 PolarHBondContact O-N 3.47Å; E447-S450 WeakPolarHBondContact O-CA 3.42Å; E447-S450 WeakPolarHBondContact O-CB 3.46Å; E447-S450 PolarHBondContact O-N 3.3Å; E447-S450 PolarHBondContact OE2-OG 3.07Å; E447-I451 PolarHBondContact O-N 3.39Å; E447-T510 WeakPolarHBondContact CA-O 2.99Å; E447-K652 IonicContact OE2-NZ 2.99Å; E447-K652 PolarHBondContact OE2-NZ 2.03Å
448	C	81.1	Confident	58.7	Low	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-53.8	-32.9	179.7	-59.4	0	0	0	0	113.2	M446 I451 F452 C509 T510 C518 M521 Q522 F525	M446-C448 PolarHBondContact O-N 3.17Å; C448-I451 PolarHBondContact O-N 3.45Å; C448-F452 PolarHBondContact O-N 3.26Å; C448-F452 VanDerWaalsContact O-N 3.07Å; C448-C509 VanDerWaalsContact CA-SG 3.54Å; C448-C509 HydrophobicContact CB-CB 3.89Å; C448-C509 WeakPolarHBondContact CB-SG 3.46Å; C448-C509 WeakPolarHBondContact SG-CB 3.49Å; C448-C509 PolarHBondContact SG-O 3.21Å; C448-C509 CovalentContact SG-SG 2.03Å; C448-C509 PolarHBondContact SG-SG 3.24Å; C448-T510 PolarHBondContact N-O 3.4Å; C448-C518 PolarHBondContact N-SG 3.47Å; C448-C518 VanDerWaalsContact N-SG 3.42Å; C448-M521 HydrophobicContact CB-CB 3.92Å; C448-Q522 HydrophobicContact CB-CB 4.32Å; C448-Q522 WeakPolarHBondContact SG-CB 3.44Å; C448-F525 HydrophobicContact CB-CD2 4.41Å
449	Y	73.6	Confident	60.3	Low	82 Å²	82	63.8 Å²	63.8	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-66.2	-36.4	174.2	-169.5	-85.2	0	0	0	113.2	E447 I451 F452 Y453 M521	E447-Y449 PolarHBondContact O-N 3.47Å; Y449-I451 VanDerWaalsContact C-N 3.34Å; Y449-F452 HydrophobicContact CD2-CD1 4.44Å; Y449-F452 HydrophobicContact CE2-CD1 4.28Å; Y449-F452 HydrophobicContact CE2-CE1 4.5Å; Y449-F452 PolarHBondContact O-N 3.28Å; Y449-Y453 PolarHBondContact O-N 2.81Å; Y449-M521 HydrophobicContact CD2-CE 4.29Å; Y449-M521 HydrophobicContact CD2-CG 4.27Å; Y449-M521 HydrophobicContact CE2-CE 4.32Å
450	S	75.4	Confident	62.2	Low	17 Å²	17	62.4 Å²	62.4	12%	0.119	31%	0.306	C	S	.	.	H	α-helix	trans	-67.5	-35.9	177.5	-64.4	0	0	0	0	111.6	E447 Y453 E454 K652	E447-S450 WeakPolarHBondContact O-CA 3.42Å; E447-S450 WeakPolarHBondContact O-CB 3.46Å; E447-S450 PolarHBondContact O-N 3.3Å; E447-S450 PolarHBondContact OE2-OG 3.07Å; S450-Y453 WeakPolarHBondContact O-CB 3.1Å; S450-Y453 PolarHBondContact O-N 3.24Å; S450-E454 WeakPolarHBondContact O-CG 3.08Å; S450-E454 PolarHBondContact O-N 2.04Å; S450-K652 PolarHBondContact OG-NZ 3.12Å
451	I	78.6	Confident	64.4	Low	2 Å²	2	54.8 Å²	54.8	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-72	-38.8	175.9	-60.3	158.6	0	0	0	110.9	M446 E447 C448 Y449 Y453 E454 C455 K505 A506 C509 F525	M446-I451 HydrophobicContact CB-CD1 3.97Å; M446-I451 HydrophobicContact CB-CG1 4.03Å; M446-I451 HydrophobicContact CE-CG1 4.2Å; M446-I451 WeakPolarHBondContact O-CD1 3.25Å; E447-I451 PolarHBondContact O-N 3.39Å; C448-I451 PolarHBondContact O-N 3.45Å; Y449-I451 VanDerWaalsContact C-N 3.34Å; I451-Y453 VanDerWaalsContact C-N 3.29Å; I451-Y453 PolarHBondContact O-N 3.45Å; I451-E454 PolarHBondContact O-N 2.82Å; I451-C455 VanDerWaalsContact O-CB 3.24Å; I451-C455 WeakPolarHBondContact O-CB 3.42Å; I451-C455 PolarHBondContact O-N 3.2Å; I451-K505 HydrophobicContact CD1-CB 3.59Å; I451-K505 HydrophobicContact CG1-CB 3.99Å; I451-K505 HydrophobicContact CG1-CD 4.24Å; I451-A506 HydrophobicContact CG2-CB 4.04Å; I451-C509 HydrophobicContact CD1-CB 3.42Å; I451-C509 VanDerWaalsContact CD1-CB 3.42Å; I451-F525 HydrophobicContact CG2-CZ 4.26Å
452	F	75.6	Confident	66.4	Low	28 Å²	28	50.8 Å²	50.8	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-41.9	168.5	165.2	-110.9	0	0	0	111.5	C448 Y449 C455 L456 F465 M521 F525	C448-F452 PolarHBondContact O-N 3.26Å; C448-F452 VanDerWaalsContact O-N 3.07Å; Y449-F452 HydrophobicContact CD2-CD1 4.44Å; Y449-F452 HydrophobicContact CE2-CD1 4.28Å; Y449-F452 HydrophobicContact CE2-CE1 4.5Å; Y449-F452 PolarHBondContact O-N 3.28Å; F452-C455 CarbonylContact O-C 3.57Å; F452-C455 WeakPolarHBondContact O-CB 3.29Å; F452-C455 PolarHBondContact O-N 2.9Å; F452-L456 HydrophobicContact CE1-CD1 3.89Å; F452-L456 HydrophobicContact CE1-CG 4.32Å; F452-L456 HydrophobicContact CE2-CD1 4.45Å; F452-L456 HydrophobicContact CE2-CD2 3.81Å; F452-L456 HydrophobicContact CE2-CG 4.02Å; F452-L456 HydrophobicContact CZ-CD1 3.86Å; F452-L456 HydrophobicContact CZ-CD2 3.78Å; F452-L456 HydrophobicContact CZ-CG 3.93Å; F452-L456 PolarHBondContact O-N 2.82Å; F452-F465 HydrophobicContact CD2-CD1 4.2Å; F452-F465 HydrophobicContact CD2-CD2 4.4Å; F452-F465 AromaticContact CD2-CE1 3.62Å; F452-F465 HydrophobicContact CD2-CE1 3.62Å; F452-F465 AromaticContact CD2-CE2 3.83Å; F452-F465 HydrophobicContact CD2-CE2 3.83Å; F452-F465 AromaticContact CD2-CZ 3.4Å; F452-F465 HydrophobicContact CD2-CZ 3.4Å; F452-F465 VanDerWaalsContact CD2-CZ 3.4Å; F452-F465 HydrophobicContact CE2-CD1 4.13Å; F452-F465 AromaticContact CE2-CE1 3.45Å; F452-F465 HydrophobicContact CE2-CE1 3.45Å; F452-F465 VanDerWaalsContact CE2-CE1 3.45Å; F452-F465 HydrophobicContact CE2-CE2 4.49Å; F452-F465 AromaticContact CE2-CZ 3.67Å; F452-F465 HydrophobicContact CE2-CZ 3.67Å; F452-F465 HydrophobicContact CG-CZ 4.37Å; F452-M521 HydrophobicContact CB-CG 4.45Å; F452-M521 HydrophobicContact CB-SD 4.03Å; F452-M521 HydrophobicContact CD1-CE 3.47Å; F452-M521 VanDerWaalsContact CD1-CE 3.47Å; F452-M521 HydrophobicContact CD1-SD 3.98Å; F452-M521 HydrophobicContact CD2-CE 4.36Å; F452-M521 HydrophobicContact CD2-SD 4.16Å; F452-M521 HydrophobicContact CE1-CE 3.56Å; F452-M521 HydrophobicContact CE2-CE 4.44Å; F452-M521 HydrophobicContact CG-CE 3.9Å; F452-M521 HydrophobicContact CG-SD 3.77Å; F452-M521 HydrophobicContact CZ-CE 4.06Å; F452-F525 HydrophobicContact CB-CE2 4.42Å; F452-F525 HydrophobicContact CB-CZ 4.28Å
453	Y	70.2	Confident	68.4	Low	88 Å²	88	50.8 Å²	50.8	35%	0.345	25%	0.25	S	C	.	.	H	α-helix	trans	-65.2	-44.1	176.3	-173.8	-92.4	0	0	0	112.8	Y449 S450 I451 C455 L456 H457 L653	Y449-Y453 PolarHBondContact O-N 2.81Å; S450-Y453 WeakPolarHBondContact O-CB 3.1Å; S450-Y453 PolarHBondContact O-N 3.24Å; I451-Y453 VanDerWaalsContact C-N 3.29Å; I451-Y453 PolarHBondContact O-N 3.45Å; Y453-C455 VanDerWaalsContact C-N 3.25Å; Y453-C455 PolarHBondContact O-N 2.89Å; Y453-L456 HydrophobicContact CD2-CD1 4.46Å; Y453-L456 PolarHBondContact O-N 2.61Å; Y453-H457 AromaticContact CE1-CD2 3.93Å; Y453-H457 AromaticContact CE1-NE2 3.46Å; Y453-H457 WeakPolarHBondContact CE1-NE2 3.4Å; Y453-H457 AromaticContact CZ-NE2 3.39Å; Y453-H457 PolarHBondContact O-CD2 3.45Å; Y453-H457 VanDerWaalsContact O-CD2 3.24Å; Y453-H457 PolarHBondContact OH-NE2 3.48Å; Y453-L653 HydrophobicContact CD2-CD2 4.45Å; Y453-L653 HydrophobicContact CE2-CD2 3.57Å
454	E	72.6	Confident	70.3	Confident	61 Å²	61	47.4 Å²	47.4	29%	0.285	23%	0.23	S	C	.	.	H	α-helix	trans	-56.4	-42.5	170.9	-69.6	177.4	144.1	0	0	110.5	M446 S450 I451 L456 H457 L502 K505	M446-E454 VanDerWaalsContact CE-OE2 3.29Å; M446-E454 WeakPolarHBondContact CE-OE2 3.41Å; S450-E454 WeakPolarHBondContact O-CG 3.08Å; S450-E454 PolarHBondContact O-N 2.04Å; I451-E454 PolarHBondContact O-N 2.82Å; E454-L456 PolarHBondContact O-N 3.03Å; E454-H457 PolarHBondContact O-N 2.91Å; E454-L502 HydrophobicContact CB-CD1 3.86Å; E454-L502 HydrophobicContact CB-CD2 3.64Å; E454-L502 HydrophobicContact CB-CG 4.38Å; E454-L502 HydrophobicContact CG-CD2 4.16Å; E454-L502 VanDerWaalsContact OE2-CD2 3.28Å; E454-L502 WeakPolarHBondContact OE2-CD2 3.43Å; E454-K505 VanDerWaalsContact CD-NZ 3.35Å; E454-K505 IonicContact OE1-NZ 2.67Å; E454-K505 PolarHBondContact OE1-NZ 3.3Å; E454-K505 IonicContact OE2-NZ 3.1Å; E454-K505 PolarHBondContact OE2-NZ 3.12Å
455	C	72.4	Confident	71.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.2	-26.6	179.3	-162.3	0	0	0	0	114.1	I451 F452 Y453 H457 E458 C461	I451-C455 VanDerWaalsContact O-CB 3.24Å; I451-C455 WeakPolarHBondContact O-CB 3.42Å; I451-C455 PolarHBondContact O-N 3.2Å; F452-C455 CarbonylContact O-C 3.57Å; F452-C455 WeakPolarHBondContact O-CB 3.29Å; F452-C455 PolarHBondContact O-N 2.9Å; Y453-C455 VanDerWaalsContact C-N 3.25Å; Y453-C455 PolarHBondContact O-N 2.89Å; C455-H457 VanDerWaalsContact C-N 3.26Å; C455-H457 PolarHBondContact O-N 2.93Å; C455-E458 PolarHBondContact O-N 2.93Å; C455-C461 HydrophobicContact CB-CB 4.1Å; C455-C461 WeakPolarHBondContact CB-SG 3.29Å; C455-C461 WeakPolarHBondContact SG-CB 3.42Å; C455-C461 PolarHBondContact SG-O 2.93Å; C455-C461 CovalentContact SG-SG 2.05Å; C455-C461 PolarHBondContact SG-SG 3.37Å
456	L	69.7	Low	72.8	Confident	40 Å²	40	43.8 Å²	43.8	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-26.7	174.1	-74.1	175.1	0	0	0	113.2	F452 Y453 E454 L462 N811	F452-L456 HydrophobicContact CE1-CD1 3.89Å; F452-L456 HydrophobicContact CE1-CG 4.32Å; F452-L456 HydrophobicContact CE2-CD1 4.45Å; F452-L456 HydrophobicContact CE2-CD2 3.81Å; F452-L456 HydrophobicContact CE2-CG 4.02Å; F452-L456 HydrophobicContact CZ-CD1 3.86Å; F452-L456 HydrophobicContact CZ-CD2 3.78Å; F452-L456 HydrophobicContact CZ-CG 3.93Å; F452-L456 PolarHBondContact O-N 2.82Å; Y453-L456 HydrophobicContact CD2-CD1 4.46Å; Y453-L456 PolarHBondContact O-N 2.61Å; E454-L456 PolarHBondContact O-N 3.03Å; L456-L462 HydrophobicContact CD2-CD1 3.95Å; L456-N811 PolarHBondContact O-ND2 2.84Å
457	H	66.7	Low	73.6	Confident	100 Å²	100	44.7 Å²	44.7	46%	0.463	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.4	178	-64.5	-73.5	0	0	0	113	Y453 E454 C455 F807	Y453-H457 AromaticContact CE1-CD2 3.93Å; Y453-H457 AromaticContact CE1-NE2 3.46Å; Y453-H457 WeakPolarHBondContact CE1-NE2 3.4Å; Y453-H457 AromaticContact CZ-NE2 3.39Å; Y453-H457 PolarHBondContact O-CD2 3.45Å; Y453-H457 VanDerWaalsContact O-CD2 3.24Å; Y453-H457 PolarHBondContact OH-NE2 3.48Å; E454-H457 PolarHBondContact O-N 2.91Å; C455-H457 VanDerWaalsContact C-N 3.26Å; C455-H457 PolarHBondContact O-N 2.93Å; H457-F807 AromaticContact CE1-CZ 3.93Å; H457-F807 AromaticContact ND1-CZ 3.79Å
458	E	63.7	Low	73.8	Confident	56 Å²	56	41.9 Å²	41.9	26%	0.262	21%	0.206	S	C	.	.			trans	-112.4	113.4	178.2	-169.2	-169.8	121.8	0	0	111.4	C455 V460 C461 L462 N500 L502	C455-E458 PolarHBondContact O-N 2.93Å; E458-V460 VanDerWaalsContact C-N 3.3Å; E458-V460 PolarHBondContact O-N 3.16Å; E458-C461 HydrophobicContact CB-CB 4.01Å; E458-C461 HydrophobicContact CG-CB 4.23Å; E458-C461 PolarHBondContact O-N 2.82Å; E458-C461 PolarHBondContact OE1-N 3.07Å; E458-L462 VanDerWaalsContact O-CB 3.32Å; E458-L462 WeakPolarHBondContact O-CB 3.32Å; E458-L462 PolarHBondContact O-N 3.09Å; E458-N500 PolarHBondContact OE1-ND2 3.28Å; E458-N500 PolarHBondContact OE2-ND2 2.9Å; E458-L502 HydrophobicContact CB-CD1 4.5Å
459	P	67.5	Low	73.5	Confident	37 Å²	37	45.1 Å²	45.1	24%	0.24	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-33.3	-170.4	25.6	-35.9	0	0	0	113.7	Q463 H815	P459-Q463 WeakPolarHBondContact O-CB 3.32Å; P459-Q463 PolarHBondContact O-N 3.12Å; P459-H815 HydrophobicContact CB-CB 3.79Å; P459-H815 HydrophobicContact CG-CB 3.64Å; P459-H815 VanDerWaalsContact CG-CG 3.4Å; P459-H815 WeakPolarHBondContact CG-ND1 3.19Å
460	V	71.8	Confident	73.4	Confident	52 Å²	52	46.9 Å²	46.9	32%	0.315	23%	0.225	S	C	.	.	H	α-helix	trans	-71.2	-54.8	179.5	173.9	0	0	0	0	110.2	E458 L462 Q463 H464 E498	E458-V460 VanDerWaalsContact C-N 3.3Å; E458-V460 PolarHBondContact O-N 3.16Å; V460-L462 VanDerWaalsContact C-N 3.28Å; V460-L462 PolarHBondContact O-N 3.26Å; V460-Q463 PolarHBondContact O-N 3.29Å; V460-Q463 VanDerWaalsContact O-N 3.17Å; V460-H464 PolarHBondContact O-N 3.23Å; V460-E498 WeakPolarHBondContact CG1-OE1 3.4Å
461	C	77	Confident	73.1	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-52	-46.7	171.8	-172.3	0	0	0	0	111.8	C455 E458 Q463 H464 F465	C455-C461 HydrophobicContact CB-CB 4.1Å; C455-C461 WeakPolarHBondContact CB-SG 3.29Å; C455-C461 WeakPolarHBondContact SG-CB 3.42Å; C455-C461 PolarHBondContact SG-O 2.93Å; C455-C461 CovalentContact SG-SG 2.05Å; C455-C461 PolarHBondContact SG-SG 3.37Å; E458-C461 HydrophobicContact CB-CB 4.01Å; E458-C461 HydrophobicContact CG-CB 4.23Å; E458-C461 PolarHBondContact O-N 2.82Å; E458-C461 PolarHBondContact OE1-N 3.07Å; C461-Q463 PolarHBondContact O-N 3.02Å; C461-H464 PolarHBondContact O-N 3.2Å; C461-F465 WeakPolarHBondContact O-CB 3.43Å; C461-F465 PolarHBondContact O-N 2.9Å
462	L	76.5	Confident	73	Confident	24 Å²	24	46.4 Å²	46.4	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-44.6	179.9	-177.2	54.3	0	0	0	112.4	L456 E458 V460 H464 F465 V466 L808	L456-L462 HydrophobicContact CD2-CD1 3.95Å; E458-L462 VanDerWaalsContact O-CB 3.32Å; E458-L462 WeakPolarHBondContact O-CB 3.32Å; E458-L462 PolarHBondContact O-N 3.09Å; V460-L462 VanDerWaalsContact C-N 3.28Å; V460-L462 PolarHBondContact O-N 3.26Å; L462-H464 VanDerWaalsContact C-N 3.34Å; L462-H464 PolarHBondContact O-N 2.99Å; L462-F465 PolarHBondContact O-N 3.15Å; L462-V466 HydrophobicContact CD1-CG2 4.34Å; L462-V466 WeakPolarHBondContact O-CG2 3Å; L462-V466 PolarHBondContact O-N 2.8Å; L462-L808 HydrophobicContact CD2-CD2 3.86Å
463	Q	76	Confident	72.3	Confident	118 Å²	118	46.5 Å²	46.5	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-60.7	-43.8	175.9	-174.9	-179.7	12.1	0	0	111.3	P459 V460 C461 V466 N467	P459-Q463 WeakPolarHBondContact O-CB 3.32Å; P459-Q463 PolarHBondContact O-N 3.12Å; V460-Q463 PolarHBondContact O-N 3.29Å; V460-Q463 VanDerWaalsContact O-N 3.17Å; C461-Q463 PolarHBondContact O-N 3.02Å; Q463-V466 PolarHBondContact O-N 3.05Å; Q463-N467 PolarHBondContact O-N 3Å; Q463-N467 PolarHBondContact O-ND2 2.87Å
464	H	76.3	Confident	71.6	Confident	44 Å²	44	45.3 Å²	45.3	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-72.2	-34.4	179.6	-83.9	-132	0	0	0	112.7	V460 C461 L462 N467 L468 R494 F495 E498	V460-H464 PolarHBondContact O-N 3.23Å; C461-H464 PolarHBondContact O-N 3.2Å; L462-H464 VanDerWaalsContact C-N 3.34Å; L462-H464 PolarHBondContact O-N 2.99Å; H464-N467 PolarHBondContact O-N 3.45Å; H464-L468 WeakPolarHBondContact O-CB 3.5Å; H464-L468 PolarHBondContact O-N 2.9Å; H464-R494 PolarHBondContact CE1-O 2.78Å; H464-R494 PolarHBondContact ND1-O 3.14Å; H464-R494 VanDerWaalsContact ND1-O 3.14Å; H464-F495 HydrophobicContact CB-CD2 3.96Å; H464-E498 VanDerWaalsContact CB-OE2 3.23Å; H464-E498 WeakPolarHBondContact CB-OE2 3.42Å; H464-E498 IonicContact CD2-OE1 3.79Å; H464-E498 IonicContact CE1-OE1 2.99Å; H464-E498 IonicContact CG-OE1 2.94Å; H464-E498 VanDerWaalsContact CG-OE1 3.26Å; H464-E498 IonicContact CG-OE2 2.72Å; H464-E498 IonicContact ND1-OE1 3.22Å; H464-E498 PolarHBondContact ND1-OE1 2.97Å; H464-E498 IonicContact ND1-OE2 2.93Å; H464-E498 PolarHBondContact ND1-OE2 3.35Å; H464-E498 IonicContact NE2-OE1 3.98Å
465	F	77.2	Confident	70.7	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-44.8	170.7	175.9	-93.7	0	0	0	112.4	F452 C461 L462 N467 L468 R469 M521 V524 F525	F452-F465 HydrophobicContact CD2-CD1 4.2Å; F452-F465 HydrophobicContact CD2-CD2 4.4Å; F452-F465 AromaticContact CD2-CE1 3.62Å; F452-F465 HydrophobicContact CD2-CE1 3.62Å; F452-F465 AromaticContact CD2-CE2 3.83Å; F452-F465 HydrophobicContact CD2-CE2 3.83Å; F452-F465 AromaticContact CD2-CZ 3.4Å; F452-F465 HydrophobicContact CD2-CZ 3.4Å; F452-F465 VanDerWaalsContact CD2-CZ 3.4Å; F452-F465 HydrophobicContact CE2-CD1 4.13Å; F452-F465 AromaticContact CE2-CE1 3.45Å; F452-F465 HydrophobicContact CE2-CE1 3.45Å; F452-F465 VanDerWaalsContact CE2-CE1 3.45Å; F452-F465 HydrophobicContact CE2-CE2 4.49Å; F452-F465 AromaticContact CE2-CZ 3.67Å; F452-F465 HydrophobicContact CE2-CZ 3.67Å; F452-F465 HydrophobicContact CG-CZ 4.37Å; C461-F465 WeakPolarHBondContact O-CB 3.43Å; C461-F465 PolarHBondContact O-N 2.9Å; L462-F465 PolarHBondContact O-N 3.15Å; F465-N467 PolarHBondContact O-N 3.46Å; F465-L468 WeakPolarHBondContact O-CB 3.1Å; F465-L468 PolarHBondContact O-N 3.49Å; F465-R469 PolarHBondContact O-N 3.16Å; F465-M521 HydrophobicContact CZ-SD 4.06Å; F465-V524 HydrophobicContact CD2-CG1 4.08Å; F465-V524 HydrophobicContact CE2-CB 4.14Å; F465-V524 HydrophobicContact CE2-CG1 3.63Å; F465-V524 HydrophobicContact CZ-CG1 4.11Å; F465-F525 HydrophobicContact CD2-CD1 4.43Å; F465-F525 AromaticContact CD2-CE1 3.63Å; F465-F525 HydrophobicContact CD2-CE1 3.63Å; F465-F525 AromaticContact CD2-CZ 3.88Å; F465-F525 HydrophobicContact CD2-CZ 3.88Å; F465-F525 AromaticContact CE2-CE1 3.98Å; F465-F525 HydrophobicContact CE2-CE1 3.98Å; F465-F525 HydrophobicContact CE2-CE2 4.48Å; F465-F525 AromaticContact CE2-CZ 3.86Å; F465-F525 HydrophobicContact CE2-CZ 3.86Å
466	V	72.2	Confident	69.6	Low	63 Å²	63	49.4 Å²	49.4	38%	0.382	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-42.5	176	170.2	0	0	0	0	110.9	L462 Q463 L468 R469 Y470	L462-V466 HydrophobicContact CD1-CG2 4.34Å; L462-V466 WeakPolarHBondContact O-CG2 3Å; L462-V466 PolarHBondContact O-N 2.8Å; Q463-V466 PolarHBondContact O-N 3.05Å; V466-L468 VanDerWaalsContact C-N 3.3Å; V466-L468 PolarHBondContact O-N 3.13Å; V466-R469 PolarHBondContact O-N 3.03Å; V466-Y470 WeakPolarHBondContact O-CB 3.33Å; V466-Y470 PolarHBondContact O-N 3.49Å
467	N	77.6	Confident	68.6	Low	61 Å²	61	57 Å²	57	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-35.7	173.7	-76.6	-44.7	0	0	0	112.9	Q463 H464 F465 G471 S491	Q463-N467 PolarHBondContact O-N 3Å; Q463-N467 PolarHBondContact O-ND2 2.87Å; H464-N467 PolarHBondContact O-N 3.45Å; F465-N467 PolarHBondContact O-N 3.46Å; N467-G471 PolarHBondContact O-N 3.35Å; N467-S491 WeakPolarHBondContact O-CB 3.3Å; N467-S491 PolarHBondContact O-OG 3.12Å
468	L	77.4	Confident	67.7	Low	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-49.2	176.2	-178.7	58.2	0	0	0	111.8	H464 F465 V466 Y470 G471 C472 L492 F495 V524 F525	H464-L468 WeakPolarHBondContact O-CB 3.5Å; H464-L468 PolarHBondContact O-N 2.9Å; F465-L468 WeakPolarHBondContact O-CB 3.1Å; F465-L468 PolarHBondContact O-N 3.49Å; V466-L468 VanDerWaalsContact C-N 3.3Å; V466-L468 PolarHBondContact O-N 3.13Å; L468-Y470 PolarHBondContact O-N 3.44Å; L468-G471 PolarHBondContact O-N 2.85Å; L468-C472 WeakPolarHBondContact O-CB 3.34Å; L468-C472 PolarHBondContact O-N 2.04Å; L468-L492 HydrophobicContact CD1-CD2 3.55Å; L468-L492 HydrophobicContact CD1-CG 3.72Å; L468-F495 HydrophobicContact CD2-CB 4.33Å; L468-F495 HydrophobicContact CD2-CD1 4.04Å; L468-F495 HydrophobicContact CD2-CD2 4.05Å; L468-F495 HydrophobicContact CD2-CE1 4.38Å; L468-F495 HydrophobicContact CD2-CE2 4.42Å; L468-F495 HydrophobicContact CD2-CG 3.88Å; L468-V524 HydrophobicContact CD2-CG1 4.26Å; L468-V524 WeakPolarHBondContact CD2-O 3.27Å; L468-V524 HydrophobicContact CG-CG1 4.09Å; L468-V524 WeakPolarHBondContact CG-O 3.37Å; L468-F525 HydrophobicContact CD2-CD1 4.41Å
469	R	75.1	Confident	67.2	Low	67 Å²	67	63.9 Å²	63.9	25%	0.253	30%	0.304	S	S	.	.	H	α-helix	trans	-58.5	-48.6	174.5	-164.9	-178.1	-169.5	168.1	7.3	110.9	F465 V466 G471 C472 A473 V524 L787 D789	F465-R469 PolarHBondContact O-N 3.16Å; V466-R469 PolarHBondContact O-N 3.03Å; R469-G471 VanDerWaalsContact C-N 3.32Å; R469-G471 PolarHBondContact O-N 2.83Å; R469-C472 PolarHBondContact O-N 3.25Å; R469-A473 HydrophobicContact CG-CB 3.8Å; R469-A473 WeakPolarHBondContact O-CB 3.41Å; R469-A473 PolarHBondContact O-N 2.65Å; R469-V524 HydrophobicContact CB-CG1 4.1Å; R469-V524 HydrophobicContact CG-CG2 4.37Å; R469-L787 PolarHBondContact NH1-O 2.83Å; R469-D789 IonicContact CZ-OD2 2.64Å; R469-D789 VanDerWaalsContact CZ-OD2 3.27Å; R469-D789 IonicContact NE-OD2 3.34Å; R469-D789 PolarHBondContact NE-OD2 3.26Å; R469-D789 VanDerWaalsContact NE-OD2 3.07Å; R469-D789 IonicContact NH2-OD2 3.94Å; R469-D789 PolarHBondContact NH2-OD2 2.9Å
470	Y	71.9	Confident	66.9	Low	120 Å²	120	66.4 Å²	66.4	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-38.3	179.6	-177.2	-108.7	0	0	0	113.3	V466 L468 Q474 L786	V466-Y470 WeakPolarHBondContact O-CB 3.33Å; V466-Y470 PolarHBondContact O-N 3.49Å; L468-Y470 PolarHBondContact O-N 3.44Å; Y470-Q474 PolarHBondContact O-NE2 3.16Å; Y470-L786 HydrophobicContact CE2-CD2 4.42Å
471	G	69.9	Low	66.7	Low	4 Å²	4	64.7 Å²	64.7	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-75	-34	178.8	0	0	0	0	0	114.7	N467 L468 R469 C488	N467-G471 PolarHBondContact O-N 3.35Å; L468-G471 PolarHBondContact O-N 2.85Å; R469-G471 VanDerWaalsContact C-N 3.32Å; R469-G471 PolarHBondContact O-N 2.83Å; G471-C488 WeakPolarHBondContact O-CB 3.36Å
472	C	75.6	Confident	66.6	Low	4 Å²	4	65 Å²	65	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-114.5	-28.3	-169.4	-62.9	0	0	0	0	115.8	L468 R469 Q474 C488 P527 C529	L468-C472 WeakPolarHBondContact O-CB 3.34Å; L468-C472 PolarHBondContact O-N 2.04Å; R469-C472 PolarHBondContact O-N 3.25Å; C472-Q474 VanDerWaalsContact C-N 3.26Å; C472-Q474 PolarHBondContact O-N 3.36Å; C472-C488 HydrophobicContact CB-CB 4.03Å; C472-C488 WeakPolarHBondContact CB-SG 3.2Å; C472-C488 WeakPolarHBondContact SG-CA 3.34Å; C472-C488 WeakPolarHBondContact SG-CB 3.28Å; C472-C488 CovalentContact SG-SG 2.04Å; C472-C488 PolarHBondContact SG-SG 3.24Å; C472-P527 HydrophobicContact CB-CB 4.2Å; C472-P527 HydrophobicContact CB-CG 3.75Å; C472-C529 PolarHBondContact O-SG 3.32Å
473	A	61.3	Low	66.5	Low	30 Å²	30	72.6 Å²	72.6	25%	0.248	34%	0.336	C	S	.	.	S	Bend	trans	-68.9	-21.9	-173.4	0	0	0	0	0	113.7	R469 M475	R469-A473 HydrophobicContact CG-CB 3.8Å; R469-A473 WeakPolarHBondContact O-CB 3.41Å; R469-A473 PolarHBondContact O-N 2.65Å; A473-M475 VanDerWaalsContact C-N 3.25Å; A473-M475 PolarHBondContact O-N 2.91Å
474	Q	55.2	Low	66.6	Low	63 Å²	63	70.2 Å²	70.2	29%	0.294	33%	0.327	S	S	.	.			trans	-70.2	78.3	176.7	-66.3	-175.8	59.9	0	0	111.5	Y470 C472 R483	Y470-Q474 PolarHBondContact O-NE2 3.16Å; C472-Q474 VanDerWaalsContact C-N 3.26Å; C472-Q474 PolarHBondContact O-N 3.36Å; Q474-R483 HydrophobicContact CB-CB 3.93Å; Q474-R483 WeakPolarHBondContact O-CB 3.47Å; Q474-R483 PolarHBondContact O-N 3.16Å
475	M	54.4	Low	66.7	Low	86 Å²	86	68.8 Å²	68.8	42%	0.424	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-68.9	134.6	170.3	-60	-161.7	-168.6	0	0	110.6	A473 R477 A481 C529	A473-M475 VanDerWaalsContact C-N 3.25Å; A473-M475 PolarHBondContact O-N 2.91Å; M475-R477 PolarHBondContact O-N 3.17Å; M475-R477 VanDerWaalsContact O-N 3.13Å; M475-A481 WeakPolarHBondContact CA-O 3.43Å; M475-C529 HydrophobicContact CG-CB 4.16Å
476	N	49	Very low	66.9	Low	61 Å²	61	72.4 Å²	72.4	33%	0.326	34%	0.341	S	S	.	.			trans	-73	102.9	166.1	-174.1	-16.9	0	0	0	108.6	Q478 F479 N480 A481	N476-Q478 PolarHBondContact O-N 3.46Å; N476-Q478 PolarHBondContact OD1-N 2.97Å; N476-F479 PolarHBondContact O-N 2.96Å; N476-N480 PolarHBondContact O-N 3.37Å; N476-A481 PolarHBondContact N-O 3.22Å
477	R	47.9	Very low	67.4	Low	201 Å²	201	72.2 Å²	72.2	76%	0.758	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.6	-176.3	-68.6	-171.5	177.6	-165	-3.1	114.8	M475	M475-R477 PolarHBondContact O-N 3.17Å; M475-R477 VanDerWaalsContact O-N 3.13Å
478	Q	48.6	Very low	67.8	Low	159 Å²	159	69.3 Å²	69.3	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-18.4	175.1	-68.2	-179.7	-55.6	0	0	114.3	N476	N476-Q478 PolarHBondContact O-N 3.46Å; N476-Q478 PolarHBondContact OD1-N 2.97Å
479	F	52.3	Low	68.1	Low	140 Å²	140	70.5 Å²	70.5	61%	0.614	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-0.1	-166.2	-62.9	-74.6	0	0	0	115.4	N476 A481	N476-F479 PolarHBondContact O-N 2.96Å; F479-A481 HydrophobicContact CB-CB 4.41Å; F479-A481 PolarHBondContact O-N 3.16Å
480	N	62.8	Low	68.6	Low	90 Å²	90	71.2 Å²	71.2	48%	0.481	34%	0.335	S	S	.	.	S	Bend	trans	56.6	4.7	-173	-62.5	-21.7	0	0	0	115.5	N476 C529 Q532	N476-N480 PolarHBondContact O-N 3.37Å; N480-C529 WeakPolarHBondContact O-CA 3.16Å; N480-Q532 HydrophobicContact CB-CB 4.43Å; N480-Q532 PolarHBondContact O-OE1 2.81Å
481	A	67.4	Low	69.2	Low	17 Å²	17	65.9 Å²	65.9	14%	0.14	32%	0.316	C	S	.	.	S	Bend	trans	-80.6	164.9	176.6	0	0	0	0	0	112.2	M475 N476 F479	M475-A481 WeakPolarHBondContact CA-O 3.43Å; N476-A481 PolarHBondContact N-O 3.22Å; F479-A481 HydrophobicContact CB-CB 4.41Å; F479-A481 PolarHBondContact O-N 3.16Å
482	C	74	Confident	70.1	Confident	8 Å²	8	65.7 Å²	65.7	5%	0.054	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-72.6	143	170.8	-46.3	0	0	0	0	109.6	N484 P485 C529 I530 S533	C482-N484 VanDerWaalsContact C-N 3.27Å; C482-N484 PolarHBondContact O-N 2.68Å; C482-P485 HydrophobicContact CB-CB 4.24Å; C482-C529 VanDerWaalsContact CA-SG 3.58Å; C482-C529 HydrophobicContact CB-CB 3.96Å; C482-C529 WeakPolarHBondContact CB-SG 3.33Å; C482-C529 PolarHBondContact N-O 3.38Å; C482-C529 WeakPolarHBondContact SG-CB 3.42Å; C482-C529 CovalentContact SG-SG 2.05Å; C482-C529 PolarHBondContact SG-SG 3.32Å; C482-I530 VanDerWaalsContact SG-CA 3.52Å; C482-I530 PolarHBondContact SG-N 3.22Å; C482-S533 PolarHBondContact N-OG 3.36Å
483	R	73.9	Confident	70.6	Confident	184 Å²	184	67 Å²	67	69%	0.694	32%	0.32	S	S	*	.	S	Bend	trans	-61.2	-35.7	174.1	-175.2	-172.9	-178.7	-173.8	0.5	112.5	Q474	Q474-R483 HydrophobicContact CB-CB 3.93Å; Q474-R483 WeakPolarHBondContact O-CB 3.47Å; Q474-R483 PolarHBondContact O-N 3.16Å
484	N	78	Confident	71.8	Confident	68 Å²	68	72.5 Å²	72.5	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-139.2	84.3	176.1	-172.6	-6.2	0	0	0	109.6	C482 N486 Q487 C488	C482-N484 VanDerWaalsContact C-N 3.27Å; C482-N484 PolarHBondContact O-N 2.68Å; N484-N486 VanDerWaalsContact C-N 3.27Å; N484-N486 PolarHBondContact O-N 2.92Å; N484-Q487 HydrophobicContact CB-CB 3.94Å; N484-Q487 VanDerWaalsContact ND2-CB 3.31Å; N484-Q487 WeakPolarHBondContact ND2-CB 3.07Å; N484-Q487 PolarHBondContact ND2-OE1 2.89Å; N484-Q487 PolarHBondContact O-N 2.93Å; N484-Q487 VanDerWaalsContact O-N 3.16Å; N484-Q487 PolarHBondContact OD1-N 3Å; N484-C488 PolarHBondContact O-N 2.91Å
485	P	79	Confident	73.3	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-30.8	-174.5	27.2	-35.1	0	0	0	112.3	C482 Q487 C488 I489 L536	C482-P485 HydrophobicContact CB-CB 4.24Å; P485-Q487 VanDerWaalsContact C-N 3.34Å; P485-Q487 PolarHBondContact O-N 2.99Å; P485-C488 WeakPolarHBondContact O-CB 3.04Å; P485-C488 PolarHBondContact O-N 3.06Å; P485-I489 VanDerWaalsContact O-CG1 3.32Å; P485-I489 WeakPolarHBondContact O-CG1 3.3Å; P485-I489 PolarHBondContact O-N 2.73Å; P485-L536 HydrophobicContact CG-CB 4.12Å; P485-L536 HydrophobicContact CG-CD1 3.53Å; P485-L536 HydrophobicContact CG-CG 4.4Å
486	N	81.2	Confident	74.9	Confident	81 Å²	81	65.5 Å²	65.5	43%	0.433	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-39.2	175.3	-65.5	-7.3	0	0	0	111.7	N484 N490	N484-N486 VanDerWaalsContact C-N 3.27Å; N484-N486 PolarHBondContact O-N 2.92Å; N486-N490 WeakPolarHBondContact O-CB 3.42Å; N486-N490 PolarHBondContact O-N 2.88Å; N486-N490 PolarHBondContact O-ND2 3.38Å
487	Q	83.4	Confident	76.6	Confident	59 Å²	59	67.8 Å²	67.8	28%	0.276	31%	0.307	S	S	.	.	H	α-helix	trans	-69.2	-36.9	173.6	-177.1	-179.4	-8.3	0	0	111.8	N484 P485 N490 S491	N484-Q487 HydrophobicContact CB-CB 3.94Å; N484-Q487 VanDerWaalsContact ND2-CB 3.31Å; N484-Q487 WeakPolarHBondContact ND2-CB 3.07Å; N484-Q487 PolarHBondContact ND2-OE1 2.89Å; N484-Q487 PolarHBondContact O-N 2.93Å; N484-Q487 VanDerWaalsContact O-N 3.16Å; N484-Q487 PolarHBondContact OD1-N 3Å; P485-Q487 VanDerWaalsContact C-N 3.34Å; P485-Q487 PolarHBondContact O-N 2.99Å; Q487-N490 PolarHBondContact O-N 2.89Å; Q487-S491 PolarHBondContact O-N 2.89Å; Q487-S491 PolarHBondContact O-OG 2.86Å
488	C	84.7	Confident	78	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-45.7	172.7	-178.3	0	0	0	0	112.2	G471 C472 N484 P485 N490 S491 L492	G471-C488 WeakPolarHBondContact O-CB 3.36Å; C472-C488 HydrophobicContact CB-CB 4.03Å; C472-C488 WeakPolarHBondContact CB-SG 3.2Å; C472-C488 WeakPolarHBondContact SG-CA 3.34Å; C472-C488 WeakPolarHBondContact SG-CB 3.28Å; C472-C488 CovalentContact SG-SG 2.04Å; C472-C488 PolarHBondContact SG-SG 3.24Å; N484-C488 PolarHBondContact O-N 2.91Å; P485-C488 WeakPolarHBondContact O-CB 3.04Å; P485-C488 PolarHBondContact O-N 3.06Å; C488-N490 PolarHBondContact O-N 3.41Å; C488-S491 PolarHBondContact O-N 3.02Å; C488-L492 WeakPolarHBondContact O-CB 3.23Å; C488-L492 WeakPolarHBondContact O-CG 3.41Å; C488-L492 PolarHBondContact O-N 3.3Å
489	I	84.3	Confident	78.6	Confident	26 Å²	26	57.7 Å²	57.7	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-50.8	172.6	-67.3	162.7	0	0	0	110.2	P485 S491 L492 E493 I530	P485-I489 VanDerWaalsContact O-CG1 3.32Å; P485-I489 WeakPolarHBondContact O-CG1 3.3Å; P485-I489 PolarHBondContact O-N 2.73Å; I489-S491 VanDerWaalsContact C-N 3.3Å; I489-S491 PolarHBondContact O-N 2.63Å; I489-L492 PolarHBondContact O-N 3.29Å; I489-L492 VanDerWaalsContact O-N 3.14Å; I489-E493 HydrophobicContact CG2-CG 4.35Å; I489-E493 PolarHBondContact O-N 3.39Å; I489-I530 HydrophobicContact CD1-CD1 4.35Å; I489-I530 HydrophobicContact CG1-CD1 3.48Å; I489-I530 VanDerWaalsContact CG1-CD1 3.48Å
490	N	85.3	Confident	79.5	Confident	81 Å²	81	52.3 Å²	52.3	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-34.5	-178.9	-70.9	-20.3	0	0	0	113.1	N486 Q487 C488 R494	N486-N490 WeakPolarHBondContact O-CB 3.42Å; N486-N490 PolarHBondContact O-N 2.88Å; N486-N490 PolarHBondContact O-ND2 3.38Å; Q487-N490 PolarHBondContact O-N 2.89Å; C488-N490 PolarHBondContact O-N 3.41Å; N490-R494 WeakPolarHBondContact O-CD 3.48Å; N490-R494 WeakPolarHBondContact O-CG 3.34Å; N490-R494 PolarHBondContact O-N 2.96Å
491	S	85.4	Confident	79.8	Confident	9 Å²	9	51.8 Å²	51.8	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-74.3	-40.1	173	-69.5	0	0	0	0	112.5	N467 Q487 C488 I489 R494 F495	N467-S491 WeakPolarHBondContact O-CB 3.3Å; N467-S491 PolarHBondContact O-OG 3.12Å; Q487-S491 PolarHBondContact O-N 2.89Å; Q487-S491 PolarHBondContact O-OG 2.86Å; C488-S491 PolarHBondContact O-N 3.02Å; I489-S491 VanDerWaalsContact C-N 3.3Å; I489-S491 PolarHBondContact O-N 2.63Å; S491-R494 PolarHBondContact O-N 3.3Å; S491-F495 WeakPolarHBondContact O-CB 3.33Å; S491-F495 PolarHBondContact O-N 3.07Å
492	L	88	Confident	80.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-46.8	175.3	-79.5	165.9	0	0	0	111.8	L468 C488 I489 R494 F495 Y496 P527 I530 W586 A591	L468-L492 HydrophobicContact CD1-CD2 3.55Å; L468-L492 HydrophobicContact CD1-CG 3.72Å; C488-L492 WeakPolarHBondContact O-CB 3.23Å; C488-L492 WeakPolarHBondContact O-CG 3.41Å; C488-L492 PolarHBondContact O-N 3.3Å; I489-L492 PolarHBondContact O-N 3.29Å; I489-L492 VanDerWaalsContact O-N 3.14Å; L492-R494 VanDerWaalsContact C-N 3.32Å; L492-R494 PolarHBondContact O-N 2.87Å; L492-F495 PolarHBondContact O-N 2.83Å; L492-Y496 HydrophobicContact CD2-CD2 4.24Å; L492-Y496 HydrophobicContact CD2-CE2 3.77Å; L492-Y496 WeakPolarHBondContact O-CD2 3.49Å; L492-Y496 PolarHBondContact O-N 3.36Å; L492-P527 HydrophobicContact CD1-CG 4.31Å; L492-P527 HydrophobicContact CD2-CG 4.22Å; L492-I530 HydrophobicContact CD1-CD1 3.86Å; L492-W586 HydrophobicContact CD1-CZ3 4.22Å; L492-W586 HydrophobicContact CD2-CE3 4.23Å; L492-W586 HydrophobicContact CD2-CZ3 3.99Å; L492-A591 HydrophobicContact CB-CB 4.11Å
493	E	87.3	Confident	80.3	Confident	32 Å²	32	51.4 Å²	51.4	15%	0.15	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-46	174.3	-77.4	-166.9	-158.5	0	0	111.3	I489 K497 P589	I489-E493 HydrophobicContact CG2-CG 4.35Å; I489-E493 PolarHBondContact O-N 3.39Å; E493-K497 VanDerWaalsContact O-CB 3.24Å; E493-K497 WeakPolarHBondContact O-CB 3.08Å; E493-K497 WeakPolarHBondContact O-CD 3.02Å; E493-K497 WeakPolarHBondContact O-CG 3.4Å; E493-K497 PolarHBondContact O-N 2.94Å; E493-K497 IonicContact OE2-NZ 3.6Å; E493-K497 PolarHBondContact OE2-NZ 3.3Å; E493-P589 WeakPolarHBondContact OE1-CA 3.26Å
494	R	85.3	Confident	80.3	Confident	145 Å²	145	43.4 Å²	43.4	55%	0.547	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-41.3	-178.7	-74.7	170.1	-172.4	174.6	1.5	112.5	H464 N490 S491 L492	H464-R494 PolarHBondContact CE1-O 2.78Å; H464-R494 PolarHBondContact ND1-O 3.14Å; H464-R494 VanDerWaalsContact ND1-O 3.14Å; N490-R494 WeakPolarHBondContact O-CD 3.48Å; N490-R494 WeakPolarHBondContact O-CG 3.34Å; N490-R494 PolarHBondContact O-N 2.96Å; S491-R494 PolarHBondContact O-N 3.3Å; L492-R494 VanDerWaalsContact C-N 3.32Å; L492-R494 PolarHBondContact O-N 2.87Å
495	F	86.5	Confident	80.4	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-54	174.2	-174.8	-95.9	0	0	0	110.2	H464 L468 S491 L492 K497 E498 V503 A506 F525	H464-F495 HydrophobicContact CB-CD2 3.96Å; L468-F495 HydrophobicContact CD2-CB 4.33Å; L468-F495 HydrophobicContact CD2-CD1 4.04Å; L468-F495 HydrophobicContact CD2-CD2 4.05Å; L468-F495 HydrophobicContact CD2-CE1 4.38Å; L468-F495 HydrophobicContact CD2-CE2 4.42Å; L468-F495 HydrophobicContact CD2-CG 3.88Å; S491-F495 WeakPolarHBondContact O-CB 3.33Å; S491-F495 PolarHBondContact O-N 3.07Å; L492-F495 PolarHBondContact O-N 2.83Å; F495-K497 VanDerWaalsContact C-N 3.31Å; F495-K497 PolarHBondContact O-N 3.34Å; F495-E498 WeakPolarHBondContact O-CB 3.1Å; F495-E498 WeakPolarHBondContact O-CG 3.24Å; F495-E498 PolarHBondContact O-N 2.87Å; F495-E498 VanDerWaalsContact O-N 3.15Å; F495-V503 HydrophobicContact CD1-CG1 4.04Å; F495-V503 HydrophobicContact CE1-CB 4.46Å; F495-V503 HydrophobicContact CE1-CG1 3.88Å; F495-V503 HydrophobicContact CE1-CG2 4.32Å; F495-V503 HydrophobicContact CE2-CG2 4.31Å; F495-V503 HydrophobicContact CZ-CG1 4.42Å; F495-V503 HydrophobicContact CZ-CG2 4.03Å; F495-V503 WeakPolarHBondContact O-CG1 3.49Å; F495-A506 HydrophobicContact CE1-CB 3.87Å; F495-A506 HydrophobicContact CZ-CB 3.96Å; F495-F525 AromaticContact CE1-CD1 3.96Å; F495-F525 HydrophobicContact CE1-CD1 3.96Å; F495-F525 HydrophobicContact CE1-CE1 4.42Å; F495-F525 HydrophobicContact CE2-CD1 4.41Å; F495-F525 HydrophobicContact CE2-CE1 4.23Å; F495-F525 AromaticContact CZ-CD1 3.63Å; F495-F525 HydrophobicContact CZ-CD1 3.63Å; F495-F525 AromaticContact CZ-CE1 3.64Å; F495-F525 HydrophobicContact CZ-CE1 3.64Å
496	Y	88.7	Confident	80.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-77.4	-8.4	-176.2	-68.2	-54.4	0	0	0	115.5	L492 E498 V503 I507 F525 R583 W586	L492-Y496 HydrophobicContact CD2-CD2 4.24Å; L492-Y496 HydrophobicContact CD2-CE2 3.77Å; L492-Y496 WeakPolarHBondContact O-CD2 3.49Å; L492-Y496 PolarHBondContact O-N 3.36Å; Y496-E498 VanDerWaalsContact C-N 3.34Å; Y496-V503 HydrophobicContact CD1-CG1 3.7Å; Y496-V503 HydrophobicContact CE1-CG1 4.19Å; Y496-I507 HydrophobicContact CD1-CD1 4.21Å; Y496-I507 HydrophobicContact CD2-CD1 4.48Å; Y496-I507 HydrophobicContact CE1-CB 3.63Å; Y496-I507 HydrophobicContact CE1-CD1 3.94Å; Y496-I507 HydrophobicContact CE1-CG1 3.93Å; Y496-I507 HydrophobicContact CE2-CD1 4.22Å; Y496-I507 HydrophobicContact CE2-CG1 4.35Å; Y496-I507 HydrophobicContact CG-CD1 4.47Å; Y496-F525 PolarHBondContact OH-O 2.04Å; Y496-R583 HydrophobicContact CD1-CG 3.83Å; Y496-R583 HydrophobicContact CG-CG 4.3Å; Y496-R583 WeakPolarHBondContact O-CD 3.37Å; Y496-R583 VanDerWaalsContact O-CG 3.25Å; Y496-R583 WeakPolarHBondContact O-CG 3.41Å; Y496-R583 PolarHBondContact O-NH1 3.39Å; Y496-W586 HydrophobicContact CD2-CB 3.84Å; Y496-W586 HydrophobicContact CD2-CE3 4.02Å; Y496-W586 HydrophobicContact CE2-CD2 4.45Å; Y496-W586 AromaticContact CE2-CE3 3.8Å; Y496-W586 HydrophobicContact CE2-CE3 3.8Å; Y496-W586 HydrophobicContact CE2-CZ3 4.39Å; Y496-W586 HydrophobicContact CG-CB 4.12Å
497	K	84.8	Confident	80.7	Confident	110 Å²	110	38.8 Å²	38.8	48%	0.478	20%	0.195	S	C	.	.	H	α-helix	trans	-70.1	-27.7	166	-83.3	164.7	177.2	154.8	0	112.8	E493 F495 S587	E493-K497 VanDerWaalsContact O-CB 3.24Å; E493-K497 WeakPolarHBondContact O-CB 3.08Å; E493-K497 WeakPolarHBondContact O-CD 3.02Å; E493-K497 WeakPolarHBondContact O-CG 3.4Å; E493-K497 PolarHBondContact O-N 2.94Å; E493-K497 IonicContact OE2-NZ 3.6Å; E493-K497 PolarHBondContact OE2-NZ 3.3Å; F495-K497 VanDerWaalsContact C-N 3.31Å; F495-K497 PolarHBondContact O-N 3.34Å; K497-S587 WeakPolarHBondContact CE-O 3.32Å; K497-S587 PolarHBondContact NZ-O 3.48Å; K497-S587 VanDerWaalsContact NZ-O 3.12Å
498	E	77.1	Confident	80.6	Confident	26 Å²	26	36.4 Å²	36.4	12%	0.121	19%	0.186	C	C	.	.	S	Bend	trans	-62.6	140.5	-179	-59.6	-173	115.1	0	0	112.6	V460 H464 F495 Y496 N500 V503 R583	V460-E498 WeakPolarHBondContact CG1-OE1 3.4Å; H464-E498 VanDerWaalsContact CB-OE2 3.23Å; H464-E498 WeakPolarHBondContact CB-OE2 3.42Å; H464-E498 IonicContact CD2-OE1 3.79Å; H464-E498 IonicContact CE1-OE1 2.99Å; H464-E498 IonicContact CG-OE1 2.94Å; H464-E498 VanDerWaalsContact CG-OE1 3.26Å; H464-E498 IonicContact CG-OE2 2.72Å; H464-E498 IonicContact ND1-OE1 3.22Å; H464-E498 PolarHBondContact ND1-OE1 2.97Å; H464-E498 IonicContact ND1-OE2 2.93Å; H464-E498 PolarHBondContact ND1-OE2 3.35Å; H464-E498 IonicContact NE2-OE1 3.98Å; F495-E498 WeakPolarHBondContact O-CB 3.1Å; F495-E498 WeakPolarHBondContact O-CG 3.24Å; F495-E498 PolarHBondContact O-N 2.87Å; F495-E498 VanDerWaalsContact O-N 3.15Å; Y496-E498 VanDerWaalsContact C-N 3.34Å; E498-N500 VanDerWaalsContact C-N 3.3Å; E498-N500 PolarHBondContact O-N 2.66Å; E498-V503 HydrophobicContact CB-CG2 4.27Å; E498-R583 PolarHBondContact O-NH1 3Å
499	T	61.6	Low	80.7	Confident	122 Å²	122	36.7 Å²	36.7	75%	0.748	19%	0.188	S	C	*	.			trans	-88.9	10.8	-175	49.1	0	0	0	0	114.4
500	N	71.2	Confident	80.7	Confident	27 Å²	27	36.7 Å²	36.7	14%	0.144	19%	0.189	C	C	.	.			trans	-69.1	144.6	-177	-174.7	-3.9	0	0	0	112.4	E458 E498 L502 V503 N504	E458-N500 PolarHBondContact OE1-ND2 3.28Å; E458-N500 PolarHBondContact OE2-ND2 2.9Å; E498-N500 VanDerWaalsContact C-N 3.3Å; E498-N500 PolarHBondContact O-N 2.66Å; N500-L502 VanDerWaalsContact C-N 3.33Å; N500-L502 PolarHBondContact OD1-N 3.39Å; N500-V503 HydrophobicContact CB-CB 4.36Å; N500-V503 HydrophobicContact CB-CG2 4Å; N500-V503 PolarHBondContact O-N 3.18Å; N500-N504 PolarHBondContact O-N 3.28Å; N500-N504 PolarHBondContact O-ND2 2.88Å; N500-N504 VanDerWaalsContact O-ND2 3.17Å
501	S	69.7	Low	80.6	Confident	79 Å²	79	34.4 Å²	34.4	55%	0.552	18%	0.179	S	C	*	.	H	α-helix	trans	-63.3	-34.6	170.8	59.3	0	0	0	0	112.7	V503 N504 K505	S501-V503 PolarHBondContact O-N 3.28Å; S501-N504 WeakPolarHBondContact O-CB 3.44Å; S501-N504 PolarHBondContact O-N 2.93Å; S501-K505 PolarHBondContact O-N 3.42Å
502	L	73.8	Confident	80.4	Confident	17 Å²	17	38.2 Å²	38.2	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-45.5	176.1	-55.5	-173	0	0	0	111.5	E454 E458 N500 N504 K505 A506	E454-L502 HydrophobicContact CB-CD1 3.86Å; E454-L502 HydrophobicContact CB-CD2 3.64Å; E454-L502 HydrophobicContact CB-CG 4.38Å; E454-L502 HydrophobicContact CG-CD2 4.16Å; E454-L502 VanDerWaalsContact OE2-CD2 3.28Å; E454-L502 WeakPolarHBondContact OE2-CD2 3.43Å; E458-L502 HydrophobicContact CB-CD1 4.5Å; N500-L502 VanDerWaalsContact C-N 3.33Å; N500-L502 PolarHBondContact OD1-N 3.39Å; L502-N504 VanDerWaalsContact C-N 3.26Å; L502-N504 PolarHBondContact O-N 2.95Å; L502-K505 WeakPolarHBondContact O-CB 3.33Å; L502-K505 PolarHBondContact O-N 3.11Å; L502-A506 PolarHBondContact O-N 3.05Å
503	V	77.9	Confident	79.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-29.3	179.8	176.4	0	0	0	0	111.9	F495 Y496 E498 N500 S501	F495-V503 HydrophobicContact CD1-CG1 4.04Å; F495-V503 HydrophobicContact CE1-CB 4.46Å; F495-V503 HydrophobicContact CE1-CG1 3.88Å; F495-V503 HydrophobicContact CE1-CG2 4.32Å; F495-V503 HydrophobicContact CE2-CG2 4.31Å; F495-V503 HydrophobicContact CZ-CG1 4.42Å; F495-V503 HydrophobicContact CZ-CG2 4.03Å; F495-V503 WeakPolarHBondContact O-CG1 3.49Å; Y496-V503 HydrophobicContact CD1-CG1 3.7Å; Y496-V503 HydrophobicContact CE1-CG1 4.19Å; E498-V503 HydrophobicContact CB-CG2 4.27Å; N500-V503 HydrophobicContact CB-CB 4.36Å; N500-V503 HydrophobicContact CB-CG2 4Å; N500-V503 PolarHBondContact O-N 3.18Å; S501-V503 PolarHBondContact O-N 3.28Å
504	N	73.5	Confident	79.3	Confident	16 Å²	16	50.4 Å²	50.4	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-69.5	-32.5	171	-72.3	-54.9	0	0	0	113.2	N500 S501 L502 N580 R583	N500-N504 PolarHBondContact O-N 3.28Å; N500-N504 PolarHBondContact O-ND2 2.88Å; N500-N504 VanDerWaalsContact O-ND2 3.17Å; S501-N504 WeakPolarHBondContact O-CB 3.44Å; S501-N504 PolarHBondContact O-N 2.93Å; L502-N504 VanDerWaalsContact C-N 3.26Å; L502-N504 PolarHBondContact O-N 2.95Å; N504-N580 PolarHBondContact ND2-ND2 3.15Å; N504-N580 PolarHBondContact ND2-OD1 3.45Å; N504-N580 WeakPolarHBondContact OD1-CA 3.47Å; N504-N580 PolarHBondContact OD1-OD1 3.01Å; N504-R583 WeakPolarHBondContact OD1-CD 3.33Å; N504-R583 PolarHBondContact OD1-NE 3.01Å
505	K	78.9	Confident	78.8	Confident	63 Å²	63	44.2 Å²	44.2	27%	0.274	25%	0.25	S	S	.	.	H	α-helix	trans	-75.7	-38.3	174.4	-58.8	174.8	-179.4	178.7	0	111.6	M446 I451 E454 S501 L502 I507 S508 C509	M446-K505 HydrophobicContact CB-CD 4.29Å; M446-K505 HydrophobicContact CE-CD 4.42Å; M446-K505 HydrophobicContact CG-CD 4.02Å; I451-K505 HydrophobicContact CD1-CB 3.59Å; I451-K505 HydrophobicContact CG1-CB 3.99Å; I451-K505 HydrophobicContact CG1-CD 4.24Å; E454-K505 VanDerWaalsContact CD-NZ 3.35Å; E454-K505 IonicContact OE1-NZ 2.67Å; E454-K505 PolarHBondContact OE1-NZ 3.3Å; E454-K505 IonicContact OE2-NZ 3.1Å; E454-K505 PolarHBondContact OE2-NZ 3.12Å; S501-K505 PolarHBondContact O-N 3.42Å; L502-K505 WeakPolarHBondContact O-CB 3.33Å; L502-K505 PolarHBondContact O-N 3.11Å; K505-I507 PolarHBondContact O-N 3.36Å; K505-I507 VanDerWaalsContact O-N 3.11Å; K505-S508 PolarHBondContact O-N 2.04Å; K505-S508 VanDerWaalsContact O-N 3.15Å; K505-S508 PolarHBondContact O-OG 2.83Å; K505-C509 PolarHBondContact O-N 3.12Å
506	A	84	Confident	78.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.4	-33.8	-172.8	0	0	0	0	0	114.1	I451 F495 L502 C509 F525	I451-A506 HydrophobicContact CG2-CB 4.04Å; F495-A506 HydrophobicContact CE1-CB 3.87Å; F495-A506 HydrophobicContact CZ-CB 3.96Å; L502-A506 PolarHBondContact O-N 3.05Å; A506-C509 PolarHBondContact O-SG 3.07Å; A506-F525 HydrophobicContact CB-CB 4.42Å; A506-F525 HydrophobicContact CB-CD1 3.7Å; A506-F525 HydrophobicContact CB-CE1 3.99Å; A506-F525 HydrophobicContact CB-CG 3.99Å; A506-F525 WeakPolarHBondContact O-CB 3.35Å
507	I	83.3	Confident	77	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21.8	-175.7	-157.4	170.1	0	0	0	114.3	Y496 K505 V526 Y582 W586	Y496-I507 HydrophobicContact CD1-CD1 4.21Å; Y496-I507 HydrophobicContact CD2-CD1 4.48Å; Y496-I507 HydrophobicContact CE1-CB 3.63Å; Y496-I507 HydrophobicContact CE1-CD1 3.94Å; Y496-I507 HydrophobicContact CE1-CG1 3.93Å; Y496-I507 HydrophobicContact CE2-CD1 4.22Å; Y496-I507 HydrophobicContact CE2-CG1 4.35Å; Y496-I507 HydrophobicContact CG-CD1 4.47Å; K505-I507 PolarHBondContact O-N 3.36Å; K505-I507 VanDerWaalsContact O-N 3.11Å; I507-V526 WeakPolarHBondContact O-CG2 3.11Å; I507-Y582 HydrophobicContact CB-CD1 4.48Å; I507-Y582 HydrophobicContact CD1-CD1 3.59Å; I507-Y582 HydrophobicContact CD1-CE1 3.74Å; I507-Y582 HydrophobicContact CD1-CG 4.47Å; I507-Y582 HydrophobicContact CG1-CD1 3.83Å; I507-Y582 HydrophobicContact CG1-CE1 3.74Å; I507-Y582 HydrophobicContact CG2-CD1 3.9Å; I507-W586 HydrophobicContact CD1-CB 3.81Å; I507-W586 HydrophobicContact CD1-CD2 3.95Å; I507-W586 HydrophobicContact CD1-CG 3.54Å
508	S	80.9	Confident	76.7	Confident	10 Å²	10	44 Å²	44	7%	0.07	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	10.8	-178.6	62.1	0	0	0	0	112.9	K505 T510 L579	K505-S508 PolarHBondContact O-N 2.04Å; K505-S508 VanDerWaalsContact O-N 3.15Å; K505-S508 PolarHBondContact O-OG 2.83Å; S508-T510 PolarHBondContact O-N 2.87Å; S508-L579 VanDerWaalsContact CB-CD2 3.48Å; S508-L579 WeakPolarHBondContact OG-CD2 3.4Å
509	C	86.1	Confident	76.7	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.041	26%	0.258	C	S	.	.			trans	-63.4	132.7	-172.8	71.4	0	0	0	0	112	C448 I451 K505 A506 Q522	C448-C509 VanDerWaalsContact CA-SG 3.54Å; C448-C509 HydrophobicContact CB-CB 3.89Å; C448-C509 WeakPolarHBondContact CB-SG 3.46Å; C448-C509 WeakPolarHBondContact SG-CB 3.49Å; C448-C509 PolarHBondContact SG-O 3.21Å; C448-C509 CovalentContact SG-SG 2.03Å; C448-C509 PolarHBondContact SG-SG 3.24Å; I451-C509 HydrophobicContact CD1-CB 3.42Å; I451-C509 VanDerWaalsContact CD1-CB 3.42Å; K505-C509 PolarHBondContact O-N 3.12Å; A506-C509 PolarHBondContact O-SG 3.07Å; C509-Q522 PolarHBondContact O-NE2 3.44Å
510	T	85	Confident	77.2	Confident	26 Å²	26	43.4 Å²	43.4	16%	0.16	24%	0.242	C	C	.	.			trans	-95.8	160.4	-178.3	55.3	0	0	0	0	110.9	N445 E447 C448 S508 C518 V626	N445-T510 PolarHBondContact OD1-OG1 3.17Å; E447-T510 WeakPolarHBondContact CA-O 2.99Å; C448-T510 PolarHBondContact N-O 3.4Å; S508-T510 PolarHBondContact O-N 2.87Å; T510-C518 PolarHBondContact O-SG 3.04Å; T510-V626 HydrophobicContact CG2-CG1 4.12Å; T510-V626 HydrophobicContact CG2-CG2 4.26Å
511	C	83.4	Confident	77.5	Confident	33 Å²	33	43.4 Å²	43.4	22%	0.223	24%	0.242	C	C	.	.			trans	-145.2	145.6	175.8	-65.9	0	0	0	0	109.1	C518 Q519	C511-C518 WeakPolarHBondContact CA-SG 3.27Å; C511-C518 HydrophobicContact CB-CB 3.73Å; C511-C518 WeakPolarHBondContact CB-SG 3.37Å; C511-C518 WeakPolarHBondContact SG-CB 3.47Å; C511-C518 PolarHBondContact SG-O 3.21Å; C511-C518 CovalentContact SG-SG 2.04Å; C511-C518 PolarHBondContact SG-SG 3.42Å; C511-Q519 HydrophobicContact CB-CG 4.07Å
512	T	81.1	Confident	78.2	Confident	89 Å²	89	42 Å²	42	55%	0.546	23%	0.227	S	C	.	.			trans	-70.7	152.6	170.9	78.8	0	0	0	0	110.4	N514 D515 Q519	T512-N514 PolarHBondContact O-N 2.79Å; T512-N514 VanDerWaalsContact O-N 3.09Å; T512-D515 PolarHBondContact O-N 3.03Å; T512-D515 VanDerWaalsContact O-N 3.1Å; T512-D515 WeakPolarHBondContact OG1-CB 3.1Å; T512-D515 PolarHBondContact OG1-N 3.17Å; T512-Q519 PolarHBondContact O-NE2 2.85Å; T512-Q519 VanDerWaalsContact O-NE2 3.17Å
513	V	76.4	Confident	78.5	Confident	130 Å²	130	43 Å²	43	79%	0.788	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	-177.8	-177.2	0	0	0	0	112.5	Q519	V513-Q519 PolarHBondContact O-NE2 3.17Å
514	N	76.8	Confident	78.6	Confident	158 Å²	158	43.6 Å²	43.6	85%	0.845	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.7	-177.4	-62	-26.2	0	0	0	114	T512 L516	T512-N514 PolarHBondContact O-N 2.79Å; T512-N514 VanDerWaalsContact O-N 3.09Å; N514-L516 PolarHBondContact O-N 3.33Å
515	D	73.9	Confident	79.1	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.08	23%	0.232	C	C	.	.			trans	-91.7	93.5	-178.3	-172.8	-16.6	0	0	0	110.6	T512 D517 C518 Q519	T512-D515 PolarHBondContact O-N 3.03Å; T512-D515 VanDerWaalsContact O-N 3.1Å; T512-D515 WeakPolarHBondContact OG1-CB 3.1Å; T512-D515 PolarHBondContact OG1-N 3.17Å; D515-D517 PolarHBondContact OD1-N 2.96Å; D515-C518 HydrophobicContact CB-CB 4Å; D515-C518 WeakPolarHBondContact OD1-CB 3.25Å; D515-C518 PolarHBondContact OD1-N 3.4Å; D515-C518 VanDerWaalsContact OD2-CB 3.27Å; D515-C518 WeakPolarHBondContact OD2-CB 3.36Å; D515-Q519 VanDerWaalsContact O-CG 3.27Å; D515-Q519 WeakPolarHBondContact O-CG 3.39Å; D515-Q519 PolarHBondContact O-N 3.32Å; D515-Q519 VanDerWaalsContact O-N 3.11Å; D515-Q519 PolarHBondContact O-NE2 3.32Å
516	L	72.3	Confident	79.4	Confident	74 Å²	74	40.4 Å²	40.4	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-72.5	-31.8	-179.2	-173.3	58.6	0	0	0	112.5	N514 Q519 Q520 L666	N514-L516 PolarHBondContact O-N 3.33Å; L516-Q519 PolarHBondContact O-N 3.46Å; L516-Q520 WeakPolarHBondContact O-CG 3.36Å; L516-Q520 PolarHBondContact O-N 3.45Å; L516-L666 HydrophobicContact CB-CD1 4.45Å; L516-L666 HydrophobicContact CB-CD2 4.33Å; L516-L666 HydrophobicContact CD2-CB 4.23Å; L516-L666 HydrophobicContact CD2-CD2 4.06Å; L516-L666 HydrophobicContact CG-CD2 4.31Å
517	D	65.4	Low	79.3	Confident	32 Å²	32	40.5 Å²	40.5	17%	0.171	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-47.6	177	-70.3	-33.1	0	0	0	110.4	D515 Q519 Q520 M521 L666	D515-D517 PolarHBondContact OD1-N 2.96Å; D517-Q519 VanDerWaalsContact C-N 3.32Å; D517-Q519 PolarHBondContact O-N 3.15Å; D517-Q520 WeakPolarHBondContact O-CB 3.47Å; D517-Q520 PolarHBondContact O-N 3.11Å; D517-M521 PolarHBondContact O-N 3.17Å; D517-L666 WeakPolarHBondContact OD1-CD2 3.32Å; D517-L666 WeakPolarHBondContact OD2-CD1 3.47Å
518	C	78.5	Confident	79.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-43.2	173.3	-174.1	0	0	0	0	111	C448 T510 C511 D515 Q520 M521 Q522	C448-C518 PolarHBondContact N-SG 3.47Å; C448-C518 VanDerWaalsContact N-SG 3.42Å; T510-C518 PolarHBondContact O-SG 3.04Å; C511-C518 WeakPolarHBondContact CA-SG 3.27Å; C511-C518 HydrophobicContact CB-CB 3.73Å; C511-C518 WeakPolarHBondContact CB-SG 3.37Å; C511-C518 WeakPolarHBondContact SG-CB 3.47Å; C511-C518 PolarHBondContact SG-O 3.21Å; C511-C518 CovalentContact SG-SG 2.04Å; C511-C518 PolarHBondContact SG-SG 3.42Å; D515-C518 HydrophobicContact CB-CB 4Å; D515-C518 WeakPolarHBondContact OD1-CB 3.25Å; D515-C518 PolarHBondContact OD1-N 3.4Å; D515-C518 VanDerWaalsContact OD2-CB 3.27Å; D515-C518 WeakPolarHBondContact OD2-CB 3.36Å; C518-Q520 VanDerWaalsContact C-N 3.3Å; C518-Q520 PolarHBondContact O-N 3.02Å; C518-M521 CarbonylContact O-C 3.42Å; C518-M521 PolarHBondContact O-N 2.85Å; C518-M521 VanDerWaalsContact O-N 3.12Å; C518-Q522 WeakPolarHBondContact O-CB 3.45Å; C518-Q522 PolarHBondContact O-N 2.88Å
519	Q	76.7	Confident	79.1	Confident	44 Å²	44	44.6 Å²	44.6	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-30.7	177.7	-74.3	175.7	54.6	0	0	113.2	C511 T512 V513 D515 L516 D517 N523	C511-Q519 HydrophobicContact CB-CG 4.07Å; T512-Q519 PolarHBondContact O-NE2 2.85Å; T512-Q519 VanDerWaalsContact O-NE2 3.17Å; V513-Q519 PolarHBondContact O-NE2 3.17Å; D515-Q519 VanDerWaalsContact O-CG 3.27Å; D515-Q519 WeakPolarHBondContact O-CG 3.39Å; D515-Q519 PolarHBondContact O-N 3.32Å; D515-Q519 VanDerWaalsContact O-N 3.11Å; D515-Q519 PolarHBondContact O-NE2 3.32Å; L516-Q519 PolarHBondContact O-N 3.46Å; D517-Q519 VanDerWaalsContact C-N 3.32Å; D517-Q519 PolarHBondContact O-N 3.15Å; Q519-N523 PolarHBondContact O-N 2.78Å; Q519-N523 VanDerWaalsContact O-N 3.12Å; Q519-N523 PolarHBondContact O-ND2 3.32Å
520	Q	72.8	Confident	78.7	Confident	91 Å²	91	44.6 Å²	44.6	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-65.5	-46.6	169	-71.6	-179.4	27.2	0	0	111.2	L516 D517 C518 Q522 N523 V524	L516-Q520 WeakPolarHBondContact O-CG 3.36Å; L516-Q520 PolarHBondContact O-N 3.45Å; D517-Q520 WeakPolarHBondContact O-CB 3.47Å; D517-Q520 PolarHBondContact O-N 3.11Å; C518-Q520 VanDerWaalsContact C-N 3.3Å; C518-Q520 PolarHBondContact O-N 3.02Å; Q520-Q522 PolarHBondContact O-N 2.98Å; Q520-N523 WeakPolarHBondContact O-CA 3.43Å; Q520-N523 WeakPolarHBondContact O-CB 3.04Å; Q520-N523 PolarHBondContact O-N 3.05Å; Q520-V524 PolarHBondContact O-N 3.21Å
521	M	77.1	Confident	78	Confident	27 Å²	27	47.6 Å²	47.6	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-40.9	176	-64.4	-62.1	175.9	0	0	112.3	C448 Y449 F452 F465 D517 C518 N523 V524 F525	C448-M521 HydrophobicContact CB-CB 3.92Å; Y449-M521 HydrophobicContact CD2-CE 4.29Å; Y449-M521 HydrophobicContact CD2-CG 4.27Å; Y449-M521 HydrophobicContact CE2-CE 4.32Å; F452-M521 HydrophobicContact CB-CG 4.45Å; F452-M521 HydrophobicContact CB-SD 4.03Å; F452-M521 HydrophobicContact CD1-CE 3.47Å; F452-M521 VanDerWaalsContact CD1-CE 3.47Å; F452-M521 HydrophobicContact CD1-SD 3.98Å; F452-M521 HydrophobicContact CD2-CE 4.36Å; F452-M521 HydrophobicContact CD2-SD 4.16Å; F452-M521 HydrophobicContact CE1-CE 3.56Å; F452-M521 HydrophobicContact CE2-CE 4.44Å; F452-M521 HydrophobicContact CG-CE 3.9Å; F452-M521 HydrophobicContact CG-SD 3.77Å; F452-M521 HydrophobicContact CZ-CE 4.06Å; F465-M521 HydrophobicContact CZ-SD 4.06Å; D517-M521 PolarHBondContact O-N 3.17Å; C518-M521 CarbonylContact O-C 3.42Å; C518-M521 PolarHBondContact O-N 2.85Å; C518-M521 VanDerWaalsContact O-N 3.12Å; M521-N523 PolarHBondContact O-N 3.37Å; M521-V524 WeakPolarHBondContact O-CB 3.38Å; M521-V524 PolarHBondContact O-N 3.42Å; M521-F525 HydrophobicContact CB-CE2 4.49Å; M521-F525 VanDerWaalsContact O-CD2 3.27Å; M521-F525 WeakPolarHBondContact O-CD2 3.07Å; M521-F525 PolarHBondContact O-N 3.44Å; M521-F525 VanDerWaalsContact O-N 3.12Å
522	Q	83.8	Confident	77.3	Confident	49 Å²	49	49.4 Å²	49.4	23%	0.229	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-34.5	173	-164.2	-177.4	66.1	0	0	111.9	C448 C509 C518 Q520 V524 V526	C448-Q522 HydrophobicContact CB-CB 4.32Å; C448-Q522 WeakPolarHBondContact SG-CB 3.44Å; C509-Q522 PolarHBondContact O-NE2 3.44Å; C518-Q522 WeakPolarHBondContact O-CB 3.45Å; C518-Q522 PolarHBondContact O-N 2.88Å; Q520-Q522 PolarHBondContact O-N 2.98Å; Q522-V524 VanDerWaalsContact C-N 3.3Å; Q522-V524 PolarHBondContact O-N 3.11Å; Q522-V526 CarbonylContact O-C 3.59Å; Q522-V526 WeakPolarHBondContact O-CA 3.3Å; Q522-V526 PolarHBondContact O-N 3.24Å
523	N	80.8	Confident	76.5	Confident	40 Å²	40	45.4 Å²	45.4	21%	0.214	23%	0.226	C	C	.	.	H	α-helix	trans	-76.2	-13.6	175.8	-68.4	-29.4	0	0	0	113.9	Q519 Q520 M521 P527 R528	Q519-N523 PolarHBondContact O-N 2.78Å; Q519-N523 VanDerWaalsContact O-N 3.12Å; Q519-N523 PolarHBondContact O-ND2 3.32Å; Q520-N523 WeakPolarHBondContact O-CA 3.43Å; Q520-N523 WeakPolarHBondContact O-CB 3.04Å; Q520-N523 PolarHBondContact O-N 3.05Å; M521-N523 PolarHBondContact O-N 3.37Å; N523-P527 WeakPolarHBondContact O-CA 3.38Å; N523-R528 VanDerWaalsContact OD1-CD 3.24Å; N523-R528 WeakPolarHBondContact OD1-CD 3.05Å; N523-R528 WeakPolarHBondContact OD1-CG 3.07Å; N523-R528 PolarHBondContact OD1-NE 3.08Å
524	V	80.6	Confident	75.5	Confident	12 Å²	12	48.7 Å²	48.7	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-81.3	-51.3	167.5	-178	0	0	0	0	109.9	F465 L468 R469 Q520 M521 Q522 P527	F465-V524 HydrophobicContact CD2-CG1 4.08Å; F465-V524 HydrophobicContact CE2-CB 4.14Å; F465-V524 HydrophobicContact CE2-CG1 3.63Å; F465-V524 HydrophobicContact CZ-CG1 4.11Å; L468-V524 HydrophobicContact CD2-CG1 4.26Å; L468-V524 WeakPolarHBondContact CD2-O 3.27Å; L468-V524 HydrophobicContact CG-CG1 4.09Å; L468-V524 WeakPolarHBondContact CG-O 3.37Å; R469-V524 HydrophobicContact CB-CG1 4.1Å; R469-V524 HydrophobicContact CG-CG2 4.37Å; Q520-V524 PolarHBondContact O-N 3.21Å; M521-V524 WeakPolarHBondContact O-CB 3.38Å; M521-V524 PolarHBondContact O-N 3.42Å; Q522-V524 VanDerWaalsContact C-N 3.3Å; Q522-V524 PolarHBondContact O-N 3.11Å; V524-P527 WeakPolarHBondContact O-CG 3.27Å
525	F	84.4	Confident	74.6	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-38.6	-178.2	-62.2	-59.2	0	0	0	113.7	C448 I451 F452 F465 L468 F495 Y496 A506 M521	C448-F525 HydrophobicContact CB-CD2 4.41Å; I451-F525 HydrophobicContact CG2-CZ 4.26Å; F452-F525 HydrophobicContact CB-CE2 4.42Å; F452-F525 HydrophobicContact CB-CZ 4.28Å; F465-F525 HydrophobicContact CD2-CD1 4.43Å; F465-F525 AromaticContact CD2-CE1 3.63Å; F465-F525 HydrophobicContact CD2-CE1 3.63Å; F465-F525 AromaticContact CD2-CZ 3.88Å; F465-F525 HydrophobicContact CD2-CZ 3.88Å; F465-F525 AromaticContact CE2-CE1 3.98Å; F465-F525 HydrophobicContact CE2-CE1 3.98Å; F465-F525 HydrophobicContact CE2-CE2 4.48Å; F465-F525 AromaticContact CE2-CZ 3.86Å; F465-F525 HydrophobicContact CE2-CZ 3.86Å; L468-F525 HydrophobicContact CD2-CD1 4.41Å; F495-F525 AromaticContact CE1-CD1 3.96Å; F495-F525 HydrophobicContact CE1-CD1 3.96Å; F495-F525 HydrophobicContact CE1-CE1 4.42Å; F495-F525 HydrophobicContact CE2-CD1 4.41Å; F495-F525 HydrophobicContact CE2-CE1 4.23Å; F495-F525 AromaticContact CZ-CD1 3.63Å; F495-F525 HydrophobicContact CZ-CD1 3.63Å; F495-F525 AromaticContact CZ-CE1 3.64Å; F495-F525 HydrophobicContact CZ-CE1 3.64Å; Y496-F525 PolarHBondContact OH-O 2.04Å; A506-F525 HydrophobicContact CB-CB 4.42Å; A506-F525 HydrophobicContact CB-CD1 3.7Å; A506-F525 HydrophobicContact CB-CE1 3.99Å; A506-F525 HydrophobicContact CB-CG 3.99Å; A506-F525 WeakPolarHBondContact O-CB 3.35Å; M521-F525 HydrophobicContact CB-CE2 4.49Å; M521-F525 VanDerWaalsContact O-CD2 3.27Å; M521-F525 WeakPolarHBondContact O-CD2 3.07Å; M521-F525 PolarHBondContact O-N 3.44Å; M521-F525 VanDerWaalsContact O-N 3.12Å
526	V	84.1	Confident	73.7	Confident	11 Å²	11	49.1 Å²	49.1	7%	0.067	25%	0.245	C	C	.	.	S	Bend	trans	-128.2	72.2	-178.4	-166.6	0	0	0	0	110.2	I507 Q522 R528 R531 W586	I507-V526 WeakPolarHBondContact O-CG2 3.11Å; Q522-V526 CarbonylContact O-C 3.59Å; Q522-V526 WeakPolarHBondContact O-CA 3.3Å; Q522-V526 PolarHBondContact O-N 3.24Å; V526-R528 PolarHBondContact O-N 3.21Å; V526-R531 PolarHBondContact O-NH2 2.93Å; V526-W586 HydrophobicContact CG1-CH2 3.79Å; V526-W586 HydrophobicContact CG1-CZ2 4.18Å
527	P	82.4	Confident	73.3	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.237	C	C	.	.			trans	-53.6	139.1	-168.8	-28.6	36.1	0	0	0	115.2	C472 L492 N523 V524 I530 R531	C472-P527 HydrophobicContact CB-CB 4.2Å; C472-P527 HydrophobicContact CB-CG 3.75Å; L492-P527 HydrophobicContact CD1-CG 4.31Å; L492-P527 HydrophobicContact CD2-CG 4.22Å; N523-P527 WeakPolarHBondContact O-CA 3.38Å; V524-P527 WeakPolarHBondContact O-CG 3.27Å; P527-I530 HydrophobicContact CB-CG2 4.02Å; P527-I530 WeakPolarHBondContact O-CG2 3.45Å; P527-R531 PolarHBondContact O-NE 3.22Å; P527-R531 PolarHBondContact O-NH2 3.3Å
528	R	80.3	Confident	73.6	Confident	97 Å²	97	48.7 Å²	48.7	37%	0.366	24%	0.238	S	C	.	.	S	Bend	trans	-83.8	-31.8	170.3	-64.8	-178.8	-162.8	-173.5	6.5	111.5	N523 V526 I530 R531 Q532	N523-R528 VanDerWaalsContact OD1-CD 3.24Å; N523-R528 WeakPolarHBondContact OD1-CD 3.05Å; N523-R528 WeakPolarHBondContact OD1-CG 3.07Å; N523-R528 PolarHBondContact OD1-NE 3.08Å; V526-R528 PolarHBondContact O-N 3.21Å; R528-I530 VanDerWaalsContact C-N 3.25Å; R528-I530 PolarHBondContact O-N 2.85Å; R528-R531 WeakPolarHBondContact O-CA 3.09Å; R528-R531 WeakPolarHBondContact O-CB 3.49Å; R528-R531 PolarHBondContact O-N 3.28Å; R528-Q532 PolarHBondContact O-N 3.37Å; R528-Q532 PolarHBondContact O-OE1 3.21Å
529	C	78.3	Confident	73.6	Confident	1 Å²	1	51 Å²	51	1%	0.007	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-58.1	-36.5	-177.7	77.7	0	0	0	0	113.1	C472 M475 N480 C482 R531 Q532 S533	C472-C529 PolarHBondContact O-SG 3.32Å; M475-C529 HydrophobicContact CG-CB 4.16Å; N480-C529 WeakPolarHBondContact O-CA 3.16Å; C482-C529 VanDerWaalsContact CA-SG 3.58Å; C482-C529 HydrophobicContact CB-CB 3.96Å; C482-C529 WeakPolarHBondContact CB-SG 3.33Å; C482-C529 PolarHBondContact N-O 3.38Å; C482-C529 WeakPolarHBondContact SG-CB 3.42Å; C482-C529 CovalentContact SG-SG 2.05Å; C482-C529 PolarHBondContact SG-SG 3.32Å; C529-R531 VanDerWaalsContact C-N 3.31Å; C529-R531 PolarHBondContact O-N 2.85Å; C529-Q532 CarbonylContact O-C 3.58Å; C529-Q532 PolarHBondContact O-N 3.26Å; C529-Q532 VanDerWaalsContact O-N 3.17Å; C529-S533 PolarHBondContact O-N 3.33Å; C529-S533 VanDerWaalsContact O-N 3.08Å; C529-S533 PolarHBondContact O-OG 3.11Å
530	I	77.8	Confident	73.9	Confident	6 Å²	6	49 Å²	49	3%	0.031	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-72.6	-29.5	-179.7	-168.4	162.6	0	0	0	111.5	C482 I489 L492 P527 R528 Q532 R537 A591	C482-I530 VanDerWaalsContact SG-CA 3.52Å; C482-I530 PolarHBondContact SG-N 3.22Å; I489-I530 HydrophobicContact CD1-CD1 4.35Å; I489-I530 HydrophobicContact CG1-CD1 3.48Å; I489-I530 VanDerWaalsContact CG1-CD1 3.48Å; L492-I530 HydrophobicContact CD1-CD1 3.86Å; P527-I530 HydrophobicContact CB-CG2 4.02Å; P527-I530 WeakPolarHBondContact O-CG2 3.45Å; R528-I530 VanDerWaalsContact C-N 3.25Å; R528-I530 PolarHBondContact O-N 2.85Å; I530-Q532 PolarHBondContact O-N 2.66Å; I530-R537 VanDerWaalsContact O-CZ 3.25Å; I530-R537 PolarHBondContact O-NE 2.98Å; I530-R537 PolarHBondContact O-NH2 3.04Å; I530-A591 VanDerWaalsContact CD1-O 3.31Å; I530-A591 WeakPolarHBondContact CD1-O 3.34Å
531	R	72.2	Confident	74.2	Confident	89 Å²	89	49.6 Å²	49.6	34%	0.336	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-70.9	-19.3	172.2	-68.1	179.6	-86	171.8	-7	113	V526 P527 R528 C529 G592	V526-R531 PolarHBondContact O-NH2 2.93Å; P527-R531 PolarHBondContact O-NE 3.22Å; P527-R531 PolarHBondContact O-NH2 3.3Å; R528-R531 WeakPolarHBondContact O-CA 3.09Å; R528-R531 WeakPolarHBondContact O-CB 3.49Å; R528-R531 PolarHBondContact O-N 3.28Å; C529-R531 VanDerWaalsContact C-N 3.31Å; C529-R531 PolarHBondContact O-N 2.85Å; R531-G592 WeakPolarHBondContact CG-O 3.24Å
532	Q	67.6	Low	74.5	Confident	70 Å²	70	53.4 Å²	53.4	33%	0.327	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-109.2	2.4	-179.6	-66.4	165.2	-62.8	0	0	113.2	N480 R528 C529 I530 Y534	N480-Q532 HydrophobicContact CB-CB 4.43Å; N480-Q532 PolarHBondContact O-OE1 2.81Å; R528-Q532 PolarHBondContact O-N 3.37Å; R528-Q532 PolarHBondContact O-OE1 3.21Å; C529-Q532 CarbonylContact O-C 3.58Å; C529-Q532 PolarHBondContact O-N 3.26Å; C529-Q532 VanDerWaalsContact O-N 3.17Å; I530-Q532 PolarHBondContact O-N 2.66Å; Q532-Y534 VanDerWaalsContact O-CD2 3.24Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.5Å; Q532-Y534 PolarHBondContact O-N 3.28Å; Q532-Y534 VanDerWaalsContact O-N 3.16Å
533	S	65.2	Low	74.5	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.042	25%	0.247	C	C	.	.			trans	-85.2	81.7	179.8	-61.7	0	0	0	0	111.8	C482 C529 R537	C482-S533 PolarHBondContact N-OG 3.36Å; C529-S533 PolarHBondContact O-N 3.33Å; C529-S533 VanDerWaalsContact O-N 3.08Å; C529-S533 PolarHBondContact O-OG 3.11Å; S533-R537 WeakPolarHBondContact O-CD 3.38Å; S533-R537 WeakPolarHBondContact O-CG 3.5Å
534	Y	55.5	Low	74.6	Confident	199 Å²	199	53 Å²	53	78%	0.78	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	150.3	174.9	-62.9	-85.8	0	0	0	112.5	Q532 L536	Q532-Y534 VanDerWaalsContact O-CD2 3.24Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.5Å; Q532-Y534 PolarHBondContact O-N 3.28Å; Q532-Y534 VanDerWaalsContact O-N 3.16Å; Y534-L536 VanDerWaalsContact C-N 3.27Å; Y534-L536 PolarHBondContact O-N 3.28Å
535	G	56.8	Low	74.7	Confident	78 Å²	78	54.9 Å²	54.9	80%	0.804	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-14.6	174.5	0	0	0	0	0	117
536	L	56.2	Low	74.8	Confident	103 Å²	103	59.9 Å²	59.9	54%	0.539	29%	0.285	S	S	.	.	S	Bend	trans	-114.5	5.5	175.6	-79.2	157.3	0	0	0	113.5	P485 Y534	P485-L536 HydrophobicContact CG-CB 4.12Å; P485-L536 HydrophobicContact CG-CD1 3.53Å; P485-L536 HydrophobicContact CG-CG 4.4Å; Y534-L536 VanDerWaalsContact C-N 3.27Å; Y534-L536 PolarHBondContact O-N 3.28Å
537	R	63.6	Low	74.9	Confident	56 Å²	56	59.4 Å²	59.4	21%	0.211	28%	0.282	C	S	.	.	S	Bend	trans	-85.9	125.7	172.1	-73.4	167.4	153.9	-86.9	-51.4	109.3	I530 S533 G592 G593 C594	I530-R537 VanDerWaalsContact O-CZ 3.25Å; I530-R537 PolarHBondContact O-NE 2.98Å; I530-R537 PolarHBondContact O-NH2 3.04Å; S533-R537 WeakPolarHBondContact O-CD 3.38Å; S533-R537 WeakPolarHBondContact O-CG 3.5Å; R537-G592 PolarHBondContact NH2-O 3.46Å; R537-G593 PolarHBondContact NH2-O 2.88Å; R537-C594 PolarHBondContact NH1-O 3.19Å
538	M	71.7	Confident	75	Confident	41 Å²	41	61.7 Å²	61.7	20%	0.202	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.7	165.6	71	-178.4	91.1	0	0	109.9	A543 K546 P589 W590 C594 S595	M538-A543 HydrophobicContact CG-CB 3.83Å; M538-A543 HydrophobicContact SD-CB 3.65Å; M538-K546 HydrophobicContact SD-CD 4.18Å; M538-P589 HydrophobicContact CE-CB 4.24Å; M538-P589 HydrophobicContact CE-CG 4.46Å; M538-P589 WeakPolarHBondContact CE-O 3.45Å; M538-W590 HydrophobicContact CE-CB 4.08Å; M538-W590 HydrophobicContact SD-CB 4.33Å; M538-C594 VanDerWaalsContact O-CB 3.27Å; M538-C594 WeakPolarHBondContact O-CB 3.4Å; M538-S595 PolarHBondContact O-N 3.16Å
539	D	77.4	Confident	75.4	Confident	50 Å²	50	63.1 Å²	63.1	27%	0.267	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-58.4	141	171	157.3	63.4	0	0	0	110.6	Y541 Q542 A543 S595	D539-Y541 VanDerWaalsContact C-N 3.3Å; D539-Y541 PolarHBondContact O-N 3.32Å; D539-Y541 PolarHBondContact OD1-N 2.83Å; D539-Y541 WeakPolarHBondContact OD2-CA 3.47Å; D539-Y541 VanDerWaalsContact OD2-CB 3.32Å; D539-Y541 WeakPolarHBondContact OD2-CB 3.32Å; D539-Y541 PolarHBondContact OD2-N 3.38Å; D539-Y541 VanDerWaalsContact OD2-N 3.13Å; D539-Q542 HydrophobicContact CB-CB 4.27Å; D539-Q542 HydrophobicContact CB-CG 4.17Å; D539-Q542 PolarHBondContact O-N 3.13Å; D539-Q542 WeakPolarHBondContact OD2-CG 3.43Å; D539-Q542 PolarHBondContact OD2-N 2.77Å; D539-A543 WeakPolarHBondContact O-CB 3.21Å; D539-A543 PolarHBondContact O-N 3.26Å; D539-S595 CarbonylContact C-O 3.4Å; D539-S595 WeakPolarHBondContact CA-O 3.31Å
540	C	82.6	Confident	75.8	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-29.4	-177	-72	0	0	0	0	113	A543 W544 C594 S595 C596	C540-A543 PolarHBondContact O-N 3.49Å; C540-W544 WeakPolarHBondContact O-CB 3.46Å; C540-W544 PolarHBondContact O-N 2.04Å; C540-C594 WeakPolarHBondContact CA-SG 3.42Å; C540-C594 HydrophobicContact CB-CB 3.86Å; C540-C594 WeakPolarHBondContact CB-SG 3.47Å; C540-C594 WeakPolarHBondContact SG-CB 3.38Å; C540-C594 CovalentContact SG-SG 2.03Å; C540-C594 PolarHBondContact SG-SG 3.27Å; C540-S595 PolarHBondContact N-O 2.81Å; C540-S595 VanDerWaalsContact SG-C 3.6Å; C540-S595 PolarHBondContact SG-N 2.91Å; C540-S595 VanDerWaalsContact SG-N 3.42Å; C540-C596 VanDerWaalsContact CB-SG 3.6Å
541	Y	80.3	Confident	76.2	Confident	102 Å²	102	69.5 Å²	69.5	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-71	-42.2	173.3	172.3	-97.4	0	0	0	111	D539 A543 W544 V545 V609	D539-Y541 VanDerWaalsContact C-N 3.3Å; D539-Y541 PolarHBondContact O-N 3.32Å; D539-Y541 PolarHBondContact OD1-N 2.83Å; D539-Y541 WeakPolarHBondContact OD2-CA 3.47Å; D539-Y541 VanDerWaalsContact OD2-CB 3.32Å; D539-Y541 WeakPolarHBondContact OD2-CB 3.32Å; D539-Y541 PolarHBondContact OD2-N 3.38Å; D539-Y541 VanDerWaalsContact OD2-N 3.13Å; Y541-A543 VanDerWaalsContact C-N 3.31Å; Y541-A543 PolarHBondContact O-N 2.83Å; Y541-W544 HydrophobicContact CD2-CE3 4.14Å; Y541-W544 HydrophobicContact CE2-CE3 4.1Å; Y541-W544 HydrophobicContact CE2-CZ3 4.06Å; Y541-W544 PolarHBondContact O-N 3.18Å; Y541-V545 HydrophobicContact CD1-CG2 4.44Å; Y541-V545 HydrophobicContact CE1-CG2 4.03Å; Y541-V545 HydrophobicContact CE2-CG2 4.14Å; Y541-V545 WeakPolarHBondContact O-CG2 3.08Å; Y541-V545 PolarHBondContact O-N 2.05Å; Y541-V609 HydrophobicContact CD2-CG1 4.02Å; Y541-V609 HydrophobicContact CE2-CG1 4.16Å; Y541-V609 HydrophobicContact CG-CG1 4.46Å
542	Q	82.3	Confident	76.8	Confident	108 Å²	108	68.9 Å²	68.9	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-38.6	169.5	-69.6	-174.9	13.7	0	0	112.7	D539 K546	D539-Q542 HydrophobicContact CB-CB 4.27Å; D539-Q542 HydrophobicContact CB-CG 4.17Å; D539-Q542 PolarHBondContact O-N 3.13Å; D539-Q542 WeakPolarHBondContact OD2-CG 3.43Å; D539-Q542 PolarHBondContact OD2-N 2.77Å; Q542-K546 WeakPolarHBondContact O-CG 3.35Å; Q542-K546 PolarHBondContact O-N 3.12Å
543	A	83.4	Confident	77.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-46.1	176.1	0	0	0	0	0	111.3	M538 D539 C540 Y541 K546 C547 W590 C594 F616	M538-A543 HydrophobicContact CG-CB 3.83Å; M538-A543 HydrophobicContact SD-CB 3.65Å; D539-A543 WeakPolarHBondContact O-CB 3.21Å; D539-A543 PolarHBondContact O-N 3.26Å; C540-A543 PolarHBondContact O-N 3.49Å; Y541-A543 VanDerWaalsContact C-N 3.31Å; Y541-A543 PolarHBondContact O-N 2.83Å; A543-K546 PolarHBondContact O-N 2.8Å; A543-C547 WeakPolarHBondContact O-CB 3.4Å; A543-C547 PolarHBondContact O-N 3.42Å; A543-W590 HydrophobicContact CB-CB 4.26Å; A543-C594 HydrophobicContact CB-CB 4.22Å; A543-F616 HydrophobicContact CB-CD1 4.08Å; A543-F616 HydrophobicContact CB-CE1 3.6Å
544	W	83.1	Confident	78.8	Confident	81 Å²	81	70.1 Å²	70.1	31%	0.307	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.6	178.7	78.6	0	0	0	111.9	C540 Y541 K546 C547 Q548 F616	C540-W544 WeakPolarHBondContact O-CB 3.46Å; C540-W544 PolarHBondContact O-N 2.04Å; Y541-W544 HydrophobicContact CD2-CE3 4.14Å; Y541-W544 HydrophobicContact CE2-CE3 4.1Å; Y541-W544 HydrophobicContact CE2-CZ3 4.06Å; Y541-W544 PolarHBondContact O-N 3.18Å; W544-K546 VanDerWaalsContact C-N 3.33Å; W544-K546 PolarHBondContact O-N 3.02Å; W544-C547 WeakPolarHBondContact O-CB 3.06Å; W544-C547 PolarHBondContact O-N 3.04Å; W544-C547 VanDerWaalsContact O-N 3.15Å; W544-Q548 HydrophobicContact CD2-CG 4.15Å; W544-Q548 HydrophobicContact CZ2-CG 4.01Å; W544-Q548 WeakPolarHBondContact O-CG 3.2Å; W544-Q548 PolarHBondContact O-N 2.99Å; W544-F616 HydrophobicContact CB-CB 4.21Å; W544-F616 HydrophobicContact CB-CD1 3.93Å; W544-F616 HydrophobicContact CB-CD2 4.25Å; W544-F616 HydrophobicContact CB-CE1 4.36Å; W544-F616 HydrophobicContact CB-CG 3.87Å; W544-F616 AromaticContact CD1-CD2 3.71Å; W544-F616 HydrophobicContact CG-CD2 4.4Å; W544-F616 HydrophobicContact CG-CG 4.36Å
545	V	83.6	Confident	80.3	Confident	51 Å²	51	63.6 Å²	63.6	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-39.9	175.1	170.6	0	0	0	0	111.5	Y541 N549	Y541-V545 HydrophobicContact CD1-CG2 4.44Å; Y541-V545 HydrophobicContact CE1-CG2 4.03Å; Y541-V545 HydrophobicContact CE2-CG2 4.14Å; Y541-V545 WeakPolarHBondContact O-CG2 3.08Å; Y541-V545 PolarHBondContact O-N 2.05Å; V545-N549 PolarHBondContact O-N 3.04Å; V545-N549 PolarHBondContact O-ND2 3.04Å
546	K	86.4	Confident	81.7	Confident	106 Å²	106	59.9 Å²	59.9	46%	0.461	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-43.1	173.2	-72.5	174.4	-179.5	176	0	111.8	M538 Q542 A543 W544 Q548 N549 D550 W590	M538-K546 HydrophobicContact SD-CD 4.18Å; Q542-K546 WeakPolarHBondContact O-CG 3.35Å; Q542-K546 PolarHBondContact O-N 3.12Å; A543-K546 PolarHBondContact O-N 2.8Å; W544-K546 VanDerWaalsContact C-N 3.33Å; W544-K546 PolarHBondContact O-N 3.02Å; K546-Q548 VanDerWaalsContact C-N 3.35Å; K546-Q548 PolarHBondContact O-N 2.97Å; K546-N549 PolarHBondContact O-N 2.62Å; K546-D550 PolarHBondContact O-N 3.43Å; K546-W590 HydrophobicContact CB-CE3 4.34Å; K546-W590 HydrophobicContact CB-CZ3 3.83Å
547	C	86.5	Confident	83	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-40.6	176.6	-176.5	0	0	0	0	112.7	A543 W544 N549 D550 C553 R554 W590 F616	A543-C547 WeakPolarHBondContact O-CB 3.4Å; A543-C547 PolarHBondContact O-N 3.42Å; W544-C547 WeakPolarHBondContact O-CB 3.06Å; W544-C547 PolarHBondContact O-N 3.04Å; W544-C547 VanDerWaalsContact O-N 3.15Å; C547-N549 VanDerWaalsContact C-N 3.27Å; C547-N549 PolarHBondContact O-N 3.21Å; C547-D550 PolarHBondContact O-N 3.11Å; C547-C553 VanDerWaalsContact CA-SG 3.55Å; C547-C553 HydrophobicContact CB-CB 3.91Å; C547-C553 WeakPolarHBondContact CB-SG 3.35Å; C547-C553 VanDerWaalsContact SG-C 3.51Å; C547-C553 WeakPolarHBondContact SG-CB 3.44Å; C547-C553 CovalentContact SG-SG 2.03Å; C547-C553 PolarHBondContact SG-SG 3.2Å; C547-R554 PolarHBondContact O-N 3.5Å; C547-W590 HydrophobicContact CB-CH2 4.46Å; C547-F616 HydrophobicContact CB-CE2 4.14Å; C547-F616 HydrophobicContact CB-CZ 3.84Å
548	Q	85.3	Confident	83.9	Confident	50 Å²	50	56.6 Å²	56.6	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-27	178.1	-72.3	-64.3	-25.3	0	0	113.5	W544 K546 R554	W544-Q548 HydrophobicContact CD2-CG 4.15Å; W544-Q548 HydrophobicContact CZ2-CG 4.01Å; W544-Q548 WeakPolarHBondContact O-CG 3.2Å; W544-Q548 PolarHBondContact O-N 2.99Å; K546-Q548 VanDerWaalsContact C-N 3.35Å; K546-Q548 PolarHBondContact O-N 2.97Å; Q548-R554 PolarHBondContact O-NH1 3.21Å
549	N	87.3	Confident	84.2	Confident	127 Å²	127	57.5 Å²	57.5	68%	0.679	29%	0.286	S	S	*	.	H	α-helix	trans	-84.2	-20.7	174.1	-72.1	-56.5	0	0	0	113.3	V545 K546 C547	V545-N549 PolarHBondContact O-N 3.04Å; V545-N549 PolarHBondContact O-ND2 3.04Å; K546-N549 PolarHBondContact O-N 2.62Å; C547-N549 VanDerWaalsContact C-N 3.27Å; C547-N549 PolarHBondContact O-N 3.21Å
550	D	86.2	Confident	84.3	Confident	54 Å²	54	55.7 Å²	55.7	29%	0.289	28%	0.276	S	S	.	.	S	Bend	trans	-86.8	117.3	174.2	178.3	-25.5	0	0	0	109.8	K546 C547 V552 C553 R554 W590	K546-D550 PolarHBondContact O-N 3.43Å; C547-D550 PolarHBondContact O-N 3.11Å; D550-V552 VanDerWaalsContact C-N 3.28Å; D550-V552 PolarHBondContact O-N 3.38Å; D550-V552 WeakPolarHBondContact OD1-CA 3.39Å; D550-V552 WeakPolarHBondContact OD1-CB 3.42Å; D550-V552 PolarHBondContact OD1-N 3.32Å; D550-C553 HydrophobicContact CB-CB 3.78Å; D550-C553 PolarHBondContact O-N 2.83Å; D550-C553 PolarHBondContact OD1-N 3.07Å; D550-R554 WeakPolarHBondContact O-CB 3.47Å; D550-R554 PolarHBondContact O-N 3Å; D550-W590 HydrophobicContact CB-CH2 4.42Å
551	P	86.6	Confident	84	Confident	86 Å²	86	59.2 Å²	59.2	56%	0.558	30%	0.297	S	S	*	.	H	α-helix	trans	-66	-28.5	-177.4	28.1	-34.9	0	0	0	113.2	T555	P551-T555 WeakPolarHBondContact O-CB 3.38Å; P551-T555 PolarHBondContact O-N 3Å; P551-T555 PolarHBondContact O-OG1 2.65Å
552	V	84.6	Confident	83.5	Confident	77 Å²	77	57.1 Å²	57.1	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-75.4	-43.7	176.7	-177.1	0	0	0	0	109.6	D550 S556	D550-V552 VanDerWaalsContact C-N 3.28Å; D550-V552 PolarHBondContact O-N 3.38Å; D550-V552 WeakPolarHBondContact OD1-CA 3.39Å; D550-V552 WeakPolarHBondContact OD1-CB 3.42Å; D550-V552 PolarHBondContact OD1-N 3.32Å; V552-S556 VanDerWaalsContact O-CB 3.24Å; V552-S556 WeakPolarHBondContact O-CB 3.31Å; V552-S556 PolarHBondContact O-N 3Å; V552-S556 VanDerWaalsContact O-N 3.07Å; V552-S556 PolarHBondContact O-OG 3.19Å
553	C	87.8	Confident	82.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-49.9	178.1	-167.2	0	0	0	0	111.8	C547 D550 S556 Y557 L585 W590	C547-C553 VanDerWaalsContact CA-SG 3.55Å; C547-C553 HydrophobicContact CB-CB 3.91Å; C547-C553 WeakPolarHBondContact CB-SG 3.35Å; C547-C553 VanDerWaalsContact SG-C 3.51Å; C547-C553 WeakPolarHBondContact SG-CB 3.44Å; C547-C553 CovalentContact SG-SG 2.03Å; C547-C553 PolarHBondContact SG-SG 3.2Å; D550-C553 HydrophobicContact CB-CB 3.78Å; D550-C553 PolarHBondContact O-N 2.83Å; D550-C553 PolarHBondContact OD1-N 3.07Å; C553-S556 CarbonylContact O-C 3.55Å; C553-S556 PolarHBondContact O-N 3.38Å; C553-S556 VanDerWaalsContact O-N 3.14Å; C553-Y557 WeakPolarHBondContact O-CB 3.33Å; C553-Y557 PolarHBondContact O-N 3.05Å; C553-L585 WeakPolarHBondContact SG-CD1 3.4Å; C553-W590 HydrophobicContact CB-CH2 3.95Å; C553-W590 HydrophobicContact CB-CZ2 3.62Å; C553-W590 WeakPolarHBondContact SG-CZ2 3.46Å
554	R	88.5	Confident	82.1	Confident	99 Å²	99	55.3 Å²	55.3	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-54.8	-58.4	179.3	-171.9	175.3	69	-128.3	1.9	111.2	C547 Q548 D550 S556 Y557 D558	C547-R554 PolarHBondContact O-N 3.5Å; Q548-R554 PolarHBondContact O-NH1 3.21Å; D550-R554 WeakPolarHBondContact O-CB 3.47Å; D550-R554 PolarHBondContact O-N 3Å; R554-S556 PolarHBondContact O-N 3.43Å; R554-S556 VanDerWaalsContact O-N 3.14Å; R554-Y557 CarbonylContact O-C 3.6Å; R554-Y557 WeakPolarHBondContact O-CA 3.2Å; R554-Y557 WeakPolarHBondContact O-CB 3.42Å; R554-Y557 PolarHBondContact O-N 2.84Å; R554-D558 WeakPolarHBondContact CG-OD2 3.4Å; R554-D558 PolarHBondContact O-N 3.41Å; R554-D558 VanDerWaalsContact O-OD2 3.07Å
555	T	85.3	Confident	80.9	Confident	62 Å²	62	57.9 Å²	57.9	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-30	179.2	-65.5	0	0	0	0	113.2	P551 L559	P551-T555 WeakPolarHBondContact O-CB 3.38Å; P551-T555 PolarHBondContact O-N 3Å; P551-T555 PolarHBondContact O-OG1 2.65Å; T555-L559 HydrophobicContact CG2-CD1 4.03Å; T555-L559 HydrophobicContact CG2-CG 4.47Å; T555-L559 VanDerWaalsContact O-CB 3.29Å; T555-L559 WeakPolarHBondContact O-CB 3.4Å; T555-L559 WeakPolarHBondContact O-CD1 3.47Å; T555-L559 WeakPolarHBondContact O-CG 3.24Å; T555-L559 PolarHBondContact O-N 3.38Å; T555-L559 VanDerWaalsContact O-N 3.07Å
556	S	86.5	Confident	79.4	Confident	1 Å²	1	60 Å²	60	1%	0.007	32%	0.319	C	S	.	.	H	α-helix	trans	-74.5	-33.4	174.4	-55.5	0	0	0	0	112.8	V552 C553 R554 L560 R584	V552-S556 VanDerWaalsContact O-CB 3.24Å; V552-S556 WeakPolarHBondContact O-CB 3.31Å; V552-S556 PolarHBondContact O-N 3Å; V552-S556 VanDerWaalsContact O-N 3.07Å; V552-S556 PolarHBondContact O-OG 3.19Å; C553-S556 CarbonylContact O-C 3.55Å; C553-S556 PolarHBondContact O-N 3.38Å; C553-S556 VanDerWaalsContact O-N 3.14Å; R554-S556 PolarHBondContact O-N 3.43Å; R554-S556 VanDerWaalsContact O-N 3.14Å; S556-L560 WeakPolarHBondContact O-CB 3.49Å; S556-L560 PolarHBondContact O-N 2.67Å; S556-R584 WeakPolarHBondContact OG-CB 3.43Å
557	Y	84.8	Confident	77.4	Confident	39 Å²	39	58 Å²	58	15%	0.153	32%	0.319	C	S	.	.	H	α-helix	trans	-69.1	-45.6	172.5	175.8	-93.1	0	0	0	111.4	C553 R554 L559 L560 V561 F616 I619	C553-Y557 WeakPolarHBondContact O-CB 3.33Å; C553-Y557 PolarHBondContact O-N 3.05Å; R554-Y557 CarbonylContact O-C 3.6Å; R554-Y557 WeakPolarHBondContact O-CA 3.2Å; R554-Y557 WeakPolarHBondContact O-CB 3.42Å; R554-Y557 PolarHBondContact O-N 2.84Å; Y557-L559 PolarHBondContact O-N 2.91Å; Y557-L560 WeakPolarHBondContact O-CB 3.49Å; Y557-L560 PolarHBondContact O-N 3.12Å; Y557-L560 VanDerWaalsContact O-N 3.12Å; Y557-V561 HydrophobicContact CD1-CG2 4.41Å; Y557-V561 HydrophobicContact CE1-CG2 4.02Å; Y557-V561 HydrophobicContact CE2-CG2 4.25Å; Y557-V561 WeakPolarHBondContact O-CG2 3.42Å; Y557-V561 PolarHBondContact O-N 2.8Å; Y557-F616 AromaticContact CD2-CD2 3.9Å; Y557-F616 HydrophobicContact CD2-CD2 3.9Å; Y557-F616 AromaticContact CD2-CE2 3.88Å; Y557-F616 HydrophobicContact CD2-CE2 3.88Å; Y557-F616 AromaticContact CE2-CD2 3.67Å; Y557-F616 HydrophobicContact CE2-CD2 3.67Å; Y557-F616 HydrophobicContact CE2-CE2 4.16Å; Y557-I619 HydrophobicContact CD2-CD1 4.49Å; Y557-I619 HydrophobicContact CE2-CD1 3.68Å
558	D	81.1	Confident	75.6	Confident	50 Å²	50	65.1 Å²	65.1	27%	0.267	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-43.8	178.6	-48.1	-28.4	0	0	0	110.9	R554 V561 S562	R554-D558 WeakPolarHBondContact CG-OD2 3.4Å; R554-D558 PolarHBondContact O-N 3.41Å; R554-D558 VanDerWaalsContact O-OD2 3.07Å; D558-V561 PolarHBondContact O-N 3.17Å; D558-S562 WeakPolarHBondContact O-CB 3.34Å; D558-S562 PolarHBondContact O-N 3.11Å; D558-S562 PolarHBondContact O-OG 2.94Å
559	L	79.8	Confident	73.9	Confident	61 Å²	61	63.3 Å²	63.3	32%	0.319	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-38	172.3	-74.8	171	0	0	0	112.4	T555 Y557 S562 E563 S581	T555-L559 HydrophobicContact CG2-CD1 4.03Å; T555-L559 HydrophobicContact CG2-CG 4.47Å; T555-L559 VanDerWaalsContact O-CB 3.29Å; T555-L559 WeakPolarHBondContact O-CB 3.4Å; T555-L559 WeakPolarHBondContact O-CD1 3.47Å; T555-L559 WeakPolarHBondContact O-CG 3.24Å; T555-L559 PolarHBondContact O-N 3.38Å; T555-L559 VanDerWaalsContact O-N 3.07Å; Y557-L559 PolarHBondContact O-N 2.91Å; L559-S562 WeakPolarHBondContact CA-OG 3.35Å; L559-S562 PolarHBondContact O-N 3.31Å; L559-S562 PolarHBondContact O-OG 3.33Å; L559-E563 HydrophobicContact CD2-CG 4.47Å; L559-E563 VanDerWaalsContact O-CB 3.26Å; L559-E563 WeakPolarHBondContact O-CB 3.49Å; L559-E563 WeakPolarHBondContact O-CG 3.48Å; L559-E563 PolarHBondContact O-N 2.96Å; L559-S581 WeakPolarHBondContact CB-OG 3.4Å
560	L	79.4	Confident	72.3	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-47.6	175.4	-163.8	86.9	0	0	0	111.2	S556 Y557 S562 C564 Y582 L585 I619 P624	S556-L560 WeakPolarHBondContact O-CB 3.49Å; S556-L560 PolarHBondContact O-N 2.67Å; Y557-L560 WeakPolarHBondContact O-CB 3.49Å; Y557-L560 PolarHBondContact O-N 3.12Å; Y557-L560 VanDerWaalsContact O-N 3.12Å; L560-S562 VanDerWaalsContact C-N 3.3Å; L560-S562 PolarHBondContact O-N 3.35Å; L560-C564 WeakPolarHBondContact CD1-SG 3.27Å; L560-C564 HydrophobicContact CG-CB 4.45Å; L560-C564 WeakPolarHBondContact O-CB 3.36Å; L560-C564 PolarHBondContact O-N 3.33Å; L560-C564 PolarHBondContact O-SG 3.3Å; L560-Y582 HydrophobicContact CD1-CD2 3.87Å; L560-Y582 HydrophobicContact CD1-CG 4.23Å; L560-Y582 HydrophobicContact CD2-CD2 4.19Å; L560-L585 HydrophobicContact CD2-CD2 4.28Å; L560-I619 HydrophobicContact CD2-CB 4.49Å; L560-I619 HydrophobicContact CD2-CG1 4.43Å; L560-I619 HydrophobicContact CD2-CG2 3.37Å; L560-P624 HydrophobicContact CD1-CG 4.45Å
561	V	75.6	Confident	71.4	Confident	76 Å²	76	57.9 Å²	57.9	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-29.7	-178.6	174.2	0	0	0	0	112.2	Y557 D558 I619	Y557-V561 HydrophobicContact CD1-CG2 4.41Å; Y557-V561 HydrophobicContact CE1-CG2 4.02Å; Y557-V561 HydrophobicContact CE2-CG2 4.25Å; Y557-V561 WeakPolarHBondContact O-CG2 3.42Å; Y557-V561 PolarHBondContact O-N 2.8Å; D558-V561 PolarHBondContact O-N 3.17Å; V561-I619 HydrophobicContact CG2-CD1 4.35Å
562	S	69.6	Low	70.1	Confident	58 Å²	58	59.1 Å²	59.1	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-88.3	-39.1	178.8	53.3	0	0	0	0	114.8	D558 L559 L560	D558-S562 WeakPolarHBondContact O-CB 3.34Å; D558-S562 PolarHBondContact O-N 3.11Å; D558-S562 PolarHBondContact O-OG 2.94Å; L559-S562 WeakPolarHBondContact CA-OG 3.35Å; L559-S562 PolarHBondContact O-N 3.31Å; L559-S562 PolarHBondContact O-OG 3.33Å; L560-S562 VanDerWaalsContact C-N 3.3Å; L560-S562 PolarHBondContact O-N 3.35Å
563	E	67.2	Low	68.9	Low	56 Å²	56	61 Å²	61	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-94.3	-29.5	-175.1	-62.6	-70.8	149.1	0	0	113.4	L559 Q565 N574	L559-E563 HydrophobicContact CD2-CG 4.47Å; L559-E563 VanDerWaalsContact O-CB 3.26Å; L559-E563 WeakPolarHBondContact O-CB 3.49Å; L559-E563 WeakPolarHBondContact O-CG 3.48Å; L559-E563 PolarHBondContact O-N 2.96Å; E563-Q565 VanDerWaalsContact C-N 3.25Å; E563-Q565 PolarHBondContact O-N 3.1Å; E563-N574 PolarHBondContact OE2-ND2 3.27Å
564	C	68.2	Low	67.9	Low	15 Å²	15	63.5 Å²	63.5	10%	0.101	34%	0.341	C	S	.	.			trans	-87.9	31.7	179	-54	0	0	0	0	113.3	L560 T566 C578 P624	L560-C564 WeakPolarHBondContact CD1-SG 3.27Å; L560-C564 HydrophobicContact CG-CB 4.45Å; L560-C564 WeakPolarHBondContact O-CB 3.36Å; L560-C564 PolarHBondContact O-N 3.33Å; L560-C564 PolarHBondContact O-SG 3.3Å; C564-T566 PolarHBondContact O-N 2.92Å; C564-C578 HydrophobicContact CB-CB 4.09Å; C564-C578 WeakPolarHBondContact CB-SG 3.02Å; C564-C578 WeakPolarHBondContact SG-CA 3.45Å; C564-C578 WeakPolarHBondContact SG-CB 3.47Å; C564-C578 CovalentContact SG-SG 2.02Å; C564-C578 PolarHBondContact SG-SG 2.93Å; C564-P624 HydrophobicContact CB-CB 4.19Å
565	Q	58	Low	67	Low	134 Å²	134	59 Å²	59	63%	0.626	33%	0.325	S	S	*	.			trans	-65.3	104.7	-178.9	-71.4	-172.2	8.8	0	0	110.9	E563 S567	E563-Q565 VanDerWaalsContact C-N 3.25Å; E563-Q565 PolarHBondContact O-N 3.1Å; Q565-S567 PolarHBondContact O-N 3.12Å
566	T	53.4	Low	66.4	Low	95 Å²	95	59.4 Å²	59.4	58%	0.583	33%	0.33	S	S	*	.			trans	-75.1	91	-174	53.3	0	0	0	0	111.8	C564 N568	C564-T566 PolarHBondContact O-N 2.92Å; T566-N568 PolarHBondContact O-N 3.01Å
567	S	44	Very low	66	Low	66 Å²	66	61.1 Å²	61.1	46%	0.462	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-68.7	116.3	147	-175.3	0	0	0	0	107.4	Q565 G569 L570	Q565-S567 PolarHBondContact O-N 3.12Å; S567-G569 PolarHBondContact O-N 3.46Å; S567-L570 PolarHBondContact O-N 2.86Å
568	N	47.8	Very low	65.9	Low	148 Å²	148	59.3 Å²	59.3	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	19.3	173.7	-55.5	-17.8	0	0	0	116.8	T566	T566-N568 PolarHBondContact O-N 3.01Å
569	G	50.3	Low	65.9	Low	13 Å²	13	57.8 Å²	57.8	13%	0.134	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-8.2	-176.8	0	0	0	0	0	115.5	S567	S567-G569 PolarHBondContact O-N 3.46Å
570	L	54.6	Low	66.1	Low	55 Å²	55	57.1 Å²	57.1	29%	0.288	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-95.7	133	-174.1	-72.6	162.3	0	0	0	111.9	S567 H572 E627	S567-L570 PolarHBondContact O-N 2.86Å; L570-H572 VanDerWaalsContact C-N 3.32Å; L570-H572 VanDerWaalsContact CB-NE2 3.31Å; L570-H572 WeakPolarHBondContact CB-NE2 3.26Å; L570-H572 PolarHBondContact O-CD2 3.3Å; L570-H572 PolarHBondContact O-N 3.43Å; L570-H572 VanDerWaalsContact O-N 3.07Å; L570-E627 HydrophobicContact CD2-CG 4.13Å
571	C	65.9	Low	66.4	Low	11 Å²	11	56.8 Å²	56.8	7%	0.074	33%	0.325	C	S	.	.			trans	-85.5	63.8	-179.9	-70.8	0	0	0	0	112.5	L573 P575 C578 C625	C571-L573 VanDerWaalsContact C-N 3.34Å; C571-L573 PolarHBondContact O-N 2.03Å; C571-P575 HydrophobicContact CB-CB 3.88Å; C571-P575 WeakPolarHBondContact O-CD 3.43Å; C571-C578 VanDerWaalsContact SG-SG 3.6Å; C571-C625 HydrophobicContact CB-CB 3.7Å; C571-C625 WeakPolarHBondContact CB-SG 3.37Å; C571-C625 WeakPolarHBondContact SG-CA 3.36Å; C571-C625 WeakPolarHBondContact SG-CB 3.24Å; C571-C625 PolarHBondContact SG-N 2.97Å; C571-C625 CovalentContact SG-SG 2.03Å; C571-C625 PolarHBondContact SG-SG 3.49Å
572	H	59	Low	66.8	Low	112 Å²	112	53.2 Å²	53.2	52%	0.519	30%	0.303	S	S	.	.			trans	-63.8	-27.8	-171.2	-63.7	-81.5	0	0	0	115.8	L570	L570-H572 VanDerWaalsContact C-N 3.32Å; L570-H572 VanDerWaalsContact CB-NE2 3.31Å; L570-H572 WeakPolarHBondContact CB-NE2 3.26Å; L570-H572 PolarHBondContact O-CD2 3.3Å; L570-H572 PolarHBondContact O-N 3.43Å; L570-H572 VanDerWaalsContact O-N 3.07Å
573	L	60.2	Low	67.7	Low	118 Å²	118	51 Å²	51	62%	0.618	29%	0.286	S	S	*	.	S	Bend	trans	-86.4	-55.9	-167.8	-74.1	167.9	0	0	0	114.1	C571	C571-L573 VanDerWaalsContact C-N 3.34Å; C571-L573 PolarHBondContact O-N 2.03Å
574	N	66.5	Low	68.6	Low	54 Å²	54	53.1 Å²	53.1	29%	0.289	29%	0.291	S	S	.	.			trans	-148.3	71.6	-179.9	-64.4	-58.1	0	0	0	110.2	E563 S576 A577 C578	E563-N574 PolarHBondContact OE2-ND2 3.27Å; N574-S576 VanDerWaalsContact C-N 3.28Å; N574-S576 PolarHBondContact O-N 2.92Å; N574-A577 HydrophobicContact CB-CB 3.8Å; N574-A577 PolarHBondContact O-N 3.32Å; N574-C578 PolarHBondContact O-N 3.1Å
575	P	70	Confident	69.5	Low	4 Å²	4	52.4 Å²	52.4	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-38.8	-173.5	22	-31.1	0	0	0	112.6	W442 C571 A577 C578 L579	W442-P575 HydrophobicContact CD2-CG 3.82Å; W442-P575 HydrophobicContact CE3-CG 3.6Å; W442-P575 HydrophobicContact CH2-CG 4.02Å; W442-P575 HydrophobicContact CZ2-CG 4.22Å; W442-P575 HydrophobicContact CZ3-CG 3.7Å; C571-P575 HydrophobicContact CB-CB 3.88Å; C571-P575 WeakPolarHBondContact O-CD 3.43Å; P575-A577 PolarHBondContact O-N 3.38Å; P575-C578 PolarHBondContact O-N 3.39Å; P575-L579 WeakPolarHBondContact O-CB 3.03Å; P575-L579 WeakPolarHBondContact O-CG 3.46Å; P575-L579 PolarHBondContact O-N 3.48Å
576	S	73.2	Confident	70.8	Confident	71 Å²	71	46.1 Å²	46.1	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-33.5	176.3	58.4	0	0	0	0	114	N574 N580	N574-S576 VanDerWaalsContact C-N 3.28Å; N574-S576 PolarHBondContact O-N 2.92Å; S576-N580 WeakPolarHBondContact O-CB 3.36Å; S576-N580 PolarHBondContact O-N 2.04Å; S576-N580 VanDerWaalsContact O-N 3.08Å; S576-N580 PolarHBondContact O-ND2 3.2Å
577	A	77	Confident	72.3	Confident	37 Å²	37	42.7 Å²	42.7	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-75.5	-40.8	176.2	0	0	0	0	0	111.3	N574 P575 N580 S581	N574-A577 HydrophobicContact CB-CB 3.8Å; N574-A577 PolarHBondContact O-N 3.32Å; P575-A577 PolarHBondContact O-N 3.38Å; A577-N580 PolarHBondContact O-N 3.38Å; A577-S581 WeakPolarHBondContact O-CB 3.33Å; A577-S581 PolarHBondContact O-N 3.17Å; A577-S581 PolarHBondContact O-OG 2.88Å
578	C	82.8	Confident	74.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-53	172.4	171.5	0	0	0	0	111.5	C564 C571 N574 P575 N580 S581 Y582	C564-C578 HydrophobicContact CB-CB 4.09Å; C564-C578 WeakPolarHBondContact CB-SG 3.02Å; C564-C578 WeakPolarHBondContact SG-CA 3.45Å; C564-C578 WeakPolarHBondContact SG-CB 3.47Å; C564-C578 CovalentContact SG-SG 2.02Å; C564-C578 PolarHBondContact SG-SG 2.93Å; C571-C578 VanDerWaalsContact SG-SG 3.6Å; N574-C578 PolarHBondContact O-N 3.1Å; P575-C578 PolarHBondContact O-N 3.39Å; C578-N580 PolarHBondContact O-N 3.44Å; C578-S581 WeakPolarHBondContact O-CB 3.36Å; C578-S581 PolarHBondContact O-N 3.04Å; C578-S581 VanDerWaalsContact O-N 3.12Å; C578-Y582 PolarHBondContact O-N 2.88Å
579	L	81.8	Confident	75.6	Confident	18 Å²	18	35.5 Å²	35.5	9%	0.094	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-37.7	179.5	-68.4	176.6	0	0	0	113.1	S508 P575 S581 Y582 R583 P624 C625	S508-L579 VanDerWaalsContact CB-CD2 3.48Å; S508-L579 WeakPolarHBondContact OG-CD2 3.4Å; P575-L579 WeakPolarHBondContact O-CB 3.03Å; P575-L579 WeakPolarHBondContact O-CG 3.46Å; P575-L579 PolarHBondContact O-N 3.48Å; L579-S581 VanDerWaalsContact C-N 3.32Å; L579-S581 PolarHBondContact O-N 3.46Å; L579-Y582 PolarHBondContact O-N 3.43Å; L579-R583 WeakPolarHBondContact O-CB 3.43Å; L579-R583 PolarHBondContact O-N 2.76Å; L579-P624 HydrophobicContact CD2-CG 4.34Å; L579-C625 HydrophobicContact CD2-CB 4.42Å
580	N	83.4	Confident	77.1	Confident	47 Å²	47	35.3 Å²	35.3	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-38.1	172.3	-92.1	-85.5	0	0	0	112.4	N504 S576 A577 C578 R583 R584	N504-N580 PolarHBondContact ND2-ND2 3.15Å; N504-N580 PolarHBondContact ND2-OD1 3.45Å; N504-N580 WeakPolarHBondContact OD1-CA 3.47Å; N504-N580 PolarHBondContact OD1-OD1 3.01Å; S576-N580 WeakPolarHBondContact O-CB 3.36Å; S576-N580 PolarHBondContact O-N 2.04Å; S576-N580 VanDerWaalsContact O-N 3.08Å; S576-N580 PolarHBondContact O-ND2 3.2Å; A577-N580 PolarHBondContact O-N 3.38Å; C578-N580 PolarHBondContact O-N 3.44Å; N580-R583 PolarHBondContact OD1-NH2 3.5Å; N580-R584 WeakPolarHBondContact O-CB 3.35Å; N580-R584 VanDerWaalsContact O-CG 3.26Å; N580-R584 WeakPolarHBondContact O-CG 3.28Å; N580-R584 PolarHBondContact O-N 3.04Å
581	S	85.1	Confident	78.1	Confident	5 Å²	5	32.8 Å²	32.8	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-67.8	-38.7	177	-54.9	0	0	0	0	110.9	L559 A577 C578 L579 R584 L585	L559-S581 WeakPolarHBondContact CB-OG 3.4Å; A577-S581 WeakPolarHBondContact O-CB 3.33Å; A577-S581 PolarHBondContact O-N 3.17Å; A577-S581 PolarHBondContact O-OG 2.88Å; C578-S581 WeakPolarHBondContact O-CB 3.36Å; C578-S581 PolarHBondContact O-N 3.04Å; C578-S581 VanDerWaalsContact O-N 3.12Å; L579-S581 VanDerWaalsContact C-N 3.32Å; L579-S581 PolarHBondContact O-N 3.46Å; S581-R584 PolarHBondContact O-N 3.43Å; S581-L585 PolarHBondContact O-N 3.45Å
582	Y	85.9	Confident	78.2	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-45.8	174.5	-165.4	-120.7	0	0	0	113.1	I507 L560 C578 L579 R584 L585 W586 I619 Q622 P623 P624	I507-Y582 HydrophobicContact CB-CD1 4.48Å; I507-Y582 HydrophobicContact CD1-CD1 3.59Å; I507-Y582 HydrophobicContact CD1-CE1 3.74Å; I507-Y582 HydrophobicContact CD1-CG 4.47Å; I507-Y582 HydrophobicContact CG1-CD1 3.83Å; I507-Y582 HydrophobicContact CG1-CE1 3.74Å; I507-Y582 HydrophobicContact CG2-CD1 3.9Å; L560-Y582 HydrophobicContact CD1-CD2 3.87Å; L560-Y582 HydrophobicContact CD1-CG 4.23Å; L560-Y582 HydrophobicContact CD2-CD2 4.19Å; C578-Y582 PolarHBondContact O-N 2.88Å; L579-Y582 PolarHBondContact O-N 3.43Å; Y582-R584 VanDerWaalsContact C-N 3.34Å; Y582-R584 PolarHBondContact O-N 3.08Å; Y582-L585 WeakPolarHBondContact O-CB 3.39Å; Y582-L585 PolarHBondContact O-N 2.89Å; Y582-W586 AromaticContact CE1-NE1 3.78Å; Y582-W586 AromaticContact CE2-NE1 3.88Å; Y582-W586 AromaticContact CZ-NE1 3.38Å; Y582-W586 PolarHBondContact O-N 3.43Å; Y582-W586 PolarHBondContact OH-NE1 2.85Å; Y582-I619 VanDerWaalsContact CE2-O 3.27Å; Y582-I619 WeakPolarHBondContact CE2-O 3.18Å; Y582-I619 PolarHBondContact OH-O 3.05Å; Y582-Q622 PolarHBondContact OH-O 2.69Å; Y582-P623 HydrophobicContact CE1-CB 3.92Å; Y582-P623 HydrophobicContact CE1-CG 4.28Å; Y582-P624 VanDerWaalsContact CD1-CD 3.48Å; Y582-P624 HydrophobicContact CD1-CG 4.25Å; Y582-P624 HydrophobicContact CD2-CG 4.21Å; Y582-P624 VanDerWaalsContact CG-CD 3.46Å; Y582-P624 HydrophobicContact CG-CG 3.89Å
583	R	87.4	Confident	79.1	Confident	12 Å²	12	27.3 Å²	27.3	5%	0.045	16%	0.155	C	C	.	.	H	α-helix	trans	-55.9	-47.8	172.5	175.8	179.9	65.4	88.4	-11.1	111.5	Y496 E498 N504 L579 N580 L585 W586 S587	Y496-R583 HydrophobicContact CD1-CG 3.83Å; Y496-R583 HydrophobicContact CG-CG 4.3Å; Y496-R583 WeakPolarHBondContact O-CD 3.37Å; Y496-R583 VanDerWaalsContact O-CG 3.25Å; Y496-R583 WeakPolarHBondContact O-CG 3.41Å; Y496-R583 PolarHBondContact O-NH1 3.39Å; E498-R583 PolarHBondContact O-NH1 3Å; N504-R583 WeakPolarHBondContact OD1-CD 3.33Å; N504-R583 PolarHBondContact OD1-NE 3.01Å; L579-R583 WeakPolarHBondContact O-CB 3.43Å; L579-R583 PolarHBondContact O-N 2.76Å; N580-R583 PolarHBondContact OD1-NH2 3.5Å; R583-L585 VanDerWaalsContact C-N 3.28Å; R583-L585 PolarHBondContact O-N 2.91Å; R583-W586 CarbonylContact O-C 3.52Å; R583-W586 WeakPolarHBondContact O-CA 3.39Å; R583-W586 PolarHBondContact O-N 2.86Å; R583-S587 PolarHBondContact O-N 3.27Å
584	R	86.3	Confident	80.1	Confident	99 Å²	99	22 Å²	22	37%	0.374	13%	0.128	S	C	.	.	H	α-helix	trans	-61.7	-36.5	179.4	-74.9	171.9	174.4	-168.7	-2.9	112.1	S556 N580 S581 Y582 W586 S587	S556-R584 WeakPolarHBondContact OG-CB 3.43Å; N580-R584 WeakPolarHBondContact O-CB 3.35Å; N580-R584 VanDerWaalsContact O-CG 3.26Å; N580-R584 WeakPolarHBondContact O-CG 3.28Å; N580-R584 PolarHBondContact O-N 3.04Å; S581-R584 PolarHBondContact O-N 3.43Å; Y582-R584 VanDerWaalsContact C-N 3.34Å; Y582-R584 PolarHBondContact O-N 3.08Å; R584-W586 VanDerWaalsContact C-N 3.26Å; R584-W586 PolarHBondContact O-N 3.31Å; R584-S587 VanDerWaalsContact O-CB 3.31Å; R584-S587 WeakPolarHBondContact O-CB 3.38Å; R584-S587 PolarHBondContact O-N 2.83Å; R584-S587 PolarHBondContact O-OG 2.95Å
585	L	86.1	Confident	80.5	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-35.5	172.5	-175.7	61.2	0	0	0	112	C553 L560 S581 Y582 R583 S587 W590 F616 I619 L620	C553-L585 WeakPolarHBondContact SG-CD1 3.4Å; L560-L585 HydrophobicContact CD2-CD2 4.28Å; S581-L585 PolarHBondContact O-N 3.45Å; Y582-L585 WeakPolarHBondContact O-CB 3.39Å; Y582-L585 PolarHBondContact O-N 2.89Å; R583-L585 VanDerWaalsContact C-N 3.28Å; R583-L585 PolarHBondContact O-N 2.91Å; L585-S587 VanDerWaalsContact C-N 3.28Å; L585-S587 PolarHBondContact O-N 3.08Å; L585-W590 PolarHBondContact O-NE1 3.24Å; L585-F616 HydrophobicContact CD1-CE2 4.2Å; L585-F616 HydrophobicContact CD1-CZ 4.24Å; L585-I619 HydrophobicContact CD2-CG2 3.51Å; L585-L620 HydrophobicContact CD1-CD2 4.28Å; L585-L620 HydrophobicContact CD2-CD2 3.75Å; L585-L620 HydrophobicContact CD2-CG 4.49Å; L585-L620 HydrophobicContact CG-CD2 3.68Å
586	W	86.2	Confident	80.7	Confident	3 Å²	3	23.7 Å²	23.7	1%	0.011	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.2	173	-82	68.7	0	0	0	115.2	L492 Y496 I507 V526 Y582 R583 R584 G588 A591 G592	L492-W586 HydrophobicContact CD1-CZ3 4.22Å; L492-W586 HydrophobicContact CD2-CE3 4.23Å; L492-W586 HydrophobicContact CD2-CZ3 3.99Å; Y496-W586 HydrophobicContact CD2-CB 3.84Å; Y496-W586 HydrophobicContact CD2-CE3 4.02Å; Y496-W586 HydrophobicContact CE2-CD2 4.45Å; Y496-W586 AromaticContact CE2-CE3 3.8Å; Y496-W586 HydrophobicContact CE2-CE3 3.8Å; Y496-W586 HydrophobicContact CE2-CZ3 4.39Å; Y496-W586 HydrophobicContact CG-CB 4.12Å; I507-W586 HydrophobicContact CD1-CB 3.81Å; I507-W586 HydrophobicContact CD1-CD2 3.95Å; I507-W586 HydrophobicContact CD1-CG 3.54Å; V526-W586 HydrophobicContact CG1-CH2 3.79Å; V526-W586 HydrophobicContact CG1-CZ2 4.18Å; Y582-W586 AromaticContact CE1-NE1 3.78Å; Y582-W586 AromaticContact CE2-NE1 3.88Å; Y582-W586 AromaticContact CZ-NE1 3.38Å; Y582-W586 PolarHBondContact O-N 3.43Å; Y582-W586 PolarHBondContact OH-NE1 2.85Å; R583-W586 CarbonylContact O-C 3.52Å; R583-W586 WeakPolarHBondContact O-CA 3.39Å; R583-W586 PolarHBondContact O-N 2.86Å; R584-W586 VanDerWaalsContact C-N 3.26Å; R584-W586 PolarHBondContact O-N 3.31Å; W586-G588 VanDerWaalsContact C-N 3.31Å; W586-A591 HydrophobicContact CE3-CB 4.1Å; W586-A591 WeakPolarHBondContact O-CB 3.48Å; W586-G592 VanDerWaalsContact CZ3-N 3.28Å
587	S	85.4	Confident	80.3	Confident	22 Å²	22	26.9 Å²	26.9	15%	0.154	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.8	173.8	75.7	0	0	0	0	114.1	K497 R583 R584 L585	K497-S587 WeakPolarHBondContact CE-O 3.32Å; K497-S587 PolarHBondContact NZ-O 3.48Å; K497-S587 VanDerWaalsContact NZ-O 3.12Å; R583-S587 PolarHBondContact O-N 3.27Å; R584-S587 VanDerWaalsContact O-CB 3.31Å; R584-S587 WeakPolarHBondContact O-CB 3.38Å; R584-S587 PolarHBondContact O-N 2.83Å; R584-S587 PolarHBondContact O-OG 2.95Å; L585-S587 VanDerWaalsContact C-N 3.28Å; L585-S587 PolarHBondContact O-N 3.08Å
588	G	82.2	Confident	79.1	Confident	5 Å²	5	31.3 Å²	31.3	5%	0.052	17%	0.174	C	C	.	.	S	Bend	trans	-105.8	173.9	-179.3	0	0	0	0	0	114.9	W586 W590 A591	W586-G588 VanDerWaalsContact C-N 3.31Å; G588-W590 PolarHBondContact O-N 2.74Å; G588-A591 WeakPolarHBondContact O-CB 3.49Å; G588-A591 PolarHBondContact O-N 2.74Å
589	P	79.1	Confident	77.1	Confident	58 Å²	58	35.6 Å²	35.6	38%	0.377	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	1	-168.8	28.4	-37.5	0	0	0	115.7	E493 M538	E493-P589 WeakPolarHBondContact OE1-CA 3.26Å; M538-P589 HydrophobicContact CE-CB 4.24Å; M538-P589 HydrophobicContact CE-CG 4.46Å; M538-P589 WeakPolarHBondContact CE-O 3.45Å
590	W	81.1	Confident	75.1	Confident	10 Å²	10	41.7 Å²	41.7	4%	0.038	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	8.4	171.9	46.6	69	0	0	0	112.4	M538 A543 K546 C547 D550 C553 L585 G588 G593 L620	M538-W590 HydrophobicContact CE-CB 4.08Å; M538-W590 HydrophobicContact SD-CB 4.33Å; A543-W590 HydrophobicContact CB-CB 4.26Å; K546-W590 HydrophobicContact CB-CE3 4.34Å; K546-W590 HydrophobicContact CB-CZ3 3.83Å; C547-W590 HydrophobicContact CB-CH2 4.46Å; D550-W590 HydrophobicContact CB-CH2 4.42Å; C553-W590 HydrophobicContact CB-CH2 3.95Å; C553-W590 HydrophobicContact CB-CZ2 3.62Å; C553-W590 WeakPolarHBondContact SG-CZ2 3.46Å; L585-W590 PolarHBondContact O-NE1 3.24Å; G588-W590 PolarHBondContact O-N 2.74Å; W590-G593 WeakPolarHBondContact O-CA 3.43Å; W590-G593 PolarHBondContact O-N 3.26Å; W590-L620 HydrophobicContact CB-CD1 4.09Å; W590-L620 HydrophobicContact CG-CD1 4.32Å
591	A	76.1	Confident	72.6	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.017	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	136.6	171.9	0	0	0	0	0	111.5	L492 I530 W586 G588 G593	L492-A591 HydrophobicContact CB-CB 4.11Å; I530-A591 VanDerWaalsContact CD1-O 3.31Å; I530-A591 WeakPolarHBondContact CD1-O 3.34Å; W586-A591 HydrophobicContact CE3-CB 4.1Å; W586-A591 WeakPolarHBondContact O-CB 3.48Å; G588-A591 WeakPolarHBondContact O-CB 3.49Å; G588-A591 PolarHBondContact O-N 2.74Å; A591-G593 PolarHBondContact O-N 2.88Å
592	G	67.7	Low	70.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-4.9	-170.5	0	0	0	0	0	115.4	R531 R537 W586	R531-G592 WeakPolarHBondContact CG-O 3.24Å; R537-G592 PolarHBondContact NH2-O 3.46Å; W586-G592 VanDerWaalsContact CZ3-N 3.28Å
593	G	76.9	Confident	68	Low	7 Å²	7	61.1 Å²	61.1	7%	0.072	33%	0.329	C	S	.	.			trans	92.8	172	169	0	0	0	0	0	116.1	R537 W590 A591	R537-G593 PolarHBondContact NH2-O 2.88Å; W590-G593 WeakPolarHBondContact O-CA 3.43Å; W590-G593 PolarHBondContact O-N 3.26Å; A591-G593 PolarHBondContact O-N 2.88Å
594	C	81	Confident	65.7	Low	8 Å²	8	68.6 Å²	68.6	5%	0.054	37%	0.37	C	S	.	.			trans	-118.9	-175.8	-171.8	53.6	0	0	0	0	111.5	R537 M538 C540 A543	R537-C594 PolarHBondContact NH1-O 3.19Å; M538-C594 VanDerWaalsContact O-CB 3.27Å; M538-C594 WeakPolarHBondContact O-CB 3.4Å; C540-C594 WeakPolarHBondContact CA-SG 3.42Å; C540-C594 HydrophobicContact CB-CB 3.86Å; C540-C594 WeakPolarHBondContact CB-SG 3.47Å; C540-C594 WeakPolarHBondContact SG-CB 3.38Å; C540-C594 CovalentContact SG-SG 2.03Å; C540-C594 PolarHBondContact SG-SG 3.27Å; A543-C594 HydrophobicContact CB-CB 4.22Å
595	S	76.9	Confident	63.4	Low	42 Å²	42	67.8 Å²	67.8	29%	0.294	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-124.6	146.5	173.1	-166.7	0	0	0	0	111.5	M538 D539 C540	M538-S595 PolarHBondContact O-N 3.16Å; D539-S595 CarbonylContact C-O 3.4Å; D539-S595 WeakPolarHBondContact CA-O 3.31Å; C540-S595 PolarHBondContact N-O 2.81Å; C540-S595 VanDerWaalsContact SG-C 3.6Å; C540-S595 PolarHBondContact SG-N 2.91Å; C540-S595 VanDerWaalsContact SG-N 3.42Å
596	C	73.4	Confident	61.2	Low	51 Å²	51	71.3 Å²	71.3	35%	0.345	40%	0.402	S	S	.	.			trans	-105.5	90.5	165	-70.5	0	0	0	0	108.5	C540 V598 C613	C540-C596 VanDerWaalsContact CB-SG 3.6Å; C596-V598 PolarHBondContact O-N 3.41Å; C596-C613 VanDerWaalsContact CA-SG 3.6Å; C596-C613 HydrophobicContact CB-CB 4.31Å; C596-C613 WeakPolarHBondContact CB-SG 3.31Å; C596-C613 WeakPolarHBondContact SG-CB 3.47Å; C596-C613 PolarHBondContact SG-O 2.92Å; C596-C613 CovalentContact SG-SG 2.05Å; C596-C613 PolarHBondContact SG-SG 3.42Å
597	E	64.9	Low	59.4	Low	137 Å²	137	77.2 Å²	77.2	64%	0.64	43%	0.434	S	S	*	.			trans	-85	111.8	-178.8	-118.9	-174.9	-118.2	0	0	110.8	T599	E597-T599 PolarHBondContact O-N 3.22Å; E597-T599 PolarHBondContact OE2-OG1 3.09Å; E597-T599 VanDerWaalsContact OE2-OG1 3.05Å
598	V	52.4	Low	57.7	Low	131 Å²	131	82.5 Å²	82.5	79%	0.794	46%	0.461	S	S	*	.			trans	-81.8	58.9	-177.1	-167.4	0	0	0	0	110.3	C596	C596-V598 PolarHBondContact O-N 3.41Å
599	T	40.2	Very low	56.1	Low	89 Å²	89	85.1 Å²	85.1	55%	0.546	48%	0.475	S	S	.	.			trans	-103.6	108.4	-163.9	-52.4	0	0	0	0	111.5	E597	E597-T599 PolarHBondContact O-N 3.22Å; E597-T599 PolarHBondContact OE2-OG1 3.09Å; E597-T599 VanDerWaalsContact OE2-OG1 3.05Å
600	Q	38.5	Very low	54.8	Low	147 Å²	147	86.5 Å²	86.5	69%	0.687	48%	0.479	S	S	*	.			trans	82.9	119.1	176.6	-57.4	-69.5	-25.6	0	0	118	K602	Q600-K602 VanDerWaalsContact C-N 3.3Å; Q600-K602 PolarHBondContact O-N 3.1Å
601	P	32.6	Very low	53.7	Low	125 Å²	125	89.8 Å²	89.8	81%	0.812	50%	0.5	S	S	*	.	S	Bend	trans	-83.6	63.1	177	36.3	-36.6	0	0	0	112.1
602	K	34.8	Very low	53.1	Low	175 Å²	175	91.1 Å²	91.1	76%	0.761	52%	0.515	S	S	*	.			trans	-127.4	12.4	-173.9	-77.1	-167.9	174.8	-178.3	0	117	Q600	Q600-K602 VanDerWaalsContact C-N 3.3Å; Q600-K602 PolarHBondContact O-N 3.1Å
603	L	39.4	Very low	53.4	Low	160 Å²	160	91.6 Å²	91.6	84%	0.838	52%	0.518	S	S	*	.	S	Bend	trans	-139.6	147.6	153.3	-81	102.9	0	0	0	107.9	P605	L603-P605 WeakPolarHBondContact O-CD 2.89Å; L603-P605 VanDerWaalsContact O-N 3.16Å
604	N	37.5	Very low	53.1	Low	170 Å²	170	94 Å²	94	91%	0.909	53%	0.534	S	S	*	.			trans	-63.6	111.6	173.4	-83	-16.4	0	0	0	109.5	S606	N604-S606 PolarHBondContact O-N 3.09Å
605	P	38.3	Very low	52.7	Low	81 Å²	81	97.1 Å²	97.1	53%	0.526	55%	0.547	S	S	.	.			trans	-81.5	114.1	176.9	32	-26.7	0	0	0	108.2	L603 N607 L610	L603-P605 WeakPolarHBondContact O-CD 2.89Å; L603-P605 VanDerWaalsContact O-N 3.16Å; P605-N607 PolarHBondContact O-N 2.75Å; P605-L610 HydrophobicContact CB-CD1 3.83Å
606	S	40.8	Very low	52.7	Low	75 Å²	75	95.1 Å²	95.1	52%	0.524	53%	0.533	S	S	.	.			trans	-62.8	119.5	163.5	52.8	0	0	0	0	108.1	N604 N608 V609	N604-S606 PolarHBondContact O-N 3.09Å; S606-N608 PolarHBondContact O-N 2.95Å; S606-V609 PolarHBondContact O-N 3.27Å
607	N	48	Very low	53	Low	127 Å²	127	93.2 Å²	93.2	68%	0.679	52%	0.523	S	S	*	.	H	α-helix	trans	-42.6	-40.3	-170.1	-68	-11.5	0	0	0	114.1	P605 V609 L610 T611	P605-N607 PolarHBondContact O-N 2.75Å; N607-V609 PolarHBondContact O-N 2.75Å; N607-L610 PolarHBondContact O-N 3.06Å; N607-L610 VanDerWaalsContact O-N 3.08Å; N607-T611 PolarHBondContact O-N 2.93Å; N607-T611 VanDerWaalsContact O-N 3.14Å; N607-T611 PolarHBondContact O-OG1 3.41Å
608	N	49.2	Very low	53.6	Low	133 Å²	133	91.6 Å²	91.6	71%	0.711	51%	0.511	S	S	*	.	H	α-helix	trans	-47.9	-33.9	177.6	-54.2	14.5	0	0	0	114.1	S606 G612	S606-N608 PolarHBondContact O-N 2.95Å; N608-G612 PolarHBondContact O-N 3.43Å
609	V	50	Low	54.9	Low	59 Å²	59	86.2 Å²	86.2	36%	0.358	48%	0.477	S	S	.	.	H	α-helix	trans	-72.7	-41.7	-178.4	178.6	0	0	0	0	111.5	Y541 S606 N607 G612 C613	Y541-V609 HydrophobicContact CD2-CG1 4.02Å; Y541-V609 HydrophobicContact CE2-CG1 4.16Å; Y541-V609 HydrophobicContact CG-CG1 4.46Å; S606-V609 PolarHBondContact O-N 3.27Å; N607-V609 PolarHBondContact O-N 2.75Å; V609-G612 PolarHBondContact O-N 3.18Å; V609-C613 WeakPolarHBondContact O-CB 3.14Å; V609-C613 PolarHBondContact O-N 2.92Å
610	L	50.9	Low	56.8	Low	87 Å²	87	82 Å²	82	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-66.2	-40.4	173.1	-93	77	0	0	0	110.9	P605 N607 G612 C613 S614	P605-L610 HydrophobicContact CB-CD1 3.83Å; N607-L610 PolarHBondContact O-N 3.06Å; N607-L610 VanDerWaalsContact O-N 3.08Å; L610-G612 PolarHBondContact O-N 2.81Å; L610-C613 WeakPolarHBondContact O-CB 3.14Å; L610-C613 PolarHBondContact O-N 3.06Å; L610-S614 PolarHBondContact O-N 3.24Å; L610-S614 PolarHBondContact O-OG 3.26Å
611	T	58.7	Low	58.5	Low	79 Å²	79	77.5 Å²	77.5	49%	0.485	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.1	-48.4	0	0	0	0	112.1	N607 S614 E615	N607-T611 PolarHBondContact O-N 2.93Å; N607-T611 VanDerWaalsContact O-N 3.14Å; N607-T611 PolarHBondContact O-OG1 3.41Å; T611-S614 WeakPolarHBondContact CA-OG 3.39Å; T611-S614 PolarHBondContact O-N 3.04Å; T611-S614 PolarHBondContact O-OG 2.68Å; T611-E615 PolarHBondContact O-N 3.49Å
612	G	63.6	Low	60.5	Low	31 Å²	31	75.5 Å²	75.5	32%	0.32	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-41.2	174.8	0	0	0	0	0	112.9	N608 V609 L610 F616	N608-G612 PolarHBondContact O-N 3.43Å; V609-G612 PolarHBondContact O-N 3.18Å; L610-G612 PolarHBondContact O-N 2.81Å; G612-F616 PolarHBondContact O-N 2.97Å
613	C	72.5	Confident	62.5	Low	10 Å²	10	68.9 Å²	68.9	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-56.8	-51	173.6	-168.3	0	0	0	0	111.2	C596 V609 L610 G617	C596-C613 VanDerWaalsContact CA-SG 3.6Å; C596-C613 HydrophobicContact CB-CB 4.31Å; C596-C613 WeakPolarHBondContact CB-SG 3.31Å; C596-C613 WeakPolarHBondContact SG-CB 3.47Å; C596-C613 PolarHBondContact SG-O 2.92Å; C596-C613 CovalentContact SG-SG 2.05Å; C596-C613 PolarHBondContact SG-SG 3.42Å; V609-C613 WeakPolarHBondContact O-CB 3.14Å; V609-C613 PolarHBondContact O-N 2.92Å; L610-C613 WeakPolarHBondContact O-CB 3.14Å; L610-C613 PolarHBondContact O-N 3.06Å; C613-G617 PolarHBondContact O-N 2.95Å; C613-G617 VanDerWaalsContact O-N 3.07Å
614	S	70.9	Confident	64.2	Low	58 Å²	58	62.1 Å²	62.1	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-38.9	-177.3	52.7	0	0	0	0	113.2	L610 T611 R618	L610-S614 PolarHBondContact O-N 3.24Å; L610-S614 PolarHBondContact O-OG 3.26Å; T611-S614 WeakPolarHBondContact CA-OG 3.39Å; T611-S614 PolarHBondContact O-N 3.04Å; T611-S614 PolarHBondContact O-OG 2.68Å; S614-R618 WeakPolarHBondContact O-CB 3.37Å; S614-R618 PolarHBondContact O-N 3.08Å
615	E	72.1	Confident	65.9	Low	72 Å²	72	54.8 Å²	54.8	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-69.9	-41.6	179.8	-73.9	-54.9	124.3	0	0	112.5	T611 R618 I619	T611-E615 PolarHBondContact O-N 3.49Å; E615-R618 PolarHBondContact O-N 3.17Å; E615-R618 IonicContact OE1-NE 3Å; E615-R618 PolarHBondContact OE1-NE 3.23Å; E615-R618 IonicContact OE2-CZ 2.61Å; E615-R618 VanDerWaalsContact OE2-CZ 3.23Å; E615-R618 IonicContact OE2-NE 2.68Å; E615-R618 PolarHBondContact OE2-NE 3.25Å; E615-R618 IonicContact OE2-NH2 3.71Å; E615-R618 PolarHBondContact OE2-NH2 3.39Å; E615-I619 WeakPolarHBondContact O-CB 3.34Å; E615-I619 WeakPolarHBondContact O-CG1 3.43Å; E615-I619 PolarHBondContact O-N 3.33Å
616	F	78.2	Confident	67.3	Low	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-40.7	175.5	-167	-107.4	0	0	0	111.8	A543 W544 C547 Y557 L585 G612 I619 L620	A543-F616 HydrophobicContact CB-CD1 4.08Å; A543-F616 HydrophobicContact CB-CE1 3.6Å; W544-F616 HydrophobicContact CB-CB 4.21Å; W544-F616 HydrophobicContact CB-CD1 3.93Å; W544-F616 HydrophobicContact CB-CD2 4.25Å; W544-F616 HydrophobicContact CB-CE1 4.36Å; W544-F616 HydrophobicContact CB-CG 3.87Å; W544-F616 AromaticContact CD1-CD2 3.71Å; W544-F616 HydrophobicContact CG-CD2 4.4Å; W544-F616 HydrophobicContact CG-CG 4.36Å; C547-F616 HydrophobicContact CB-CE2 4.14Å; C547-F616 HydrophobicContact CB-CZ 3.84Å; Y557-F616 AromaticContact CD2-CD2 3.9Å; Y557-F616 HydrophobicContact CD2-CD2 3.9Å; Y557-F616 AromaticContact CD2-CE2 3.88Å; Y557-F616 HydrophobicContact CD2-CE2 3.88Å; Y557-F616 AromaticContact CE2-CD2 3.67Å; Y557-F616 HydrophobicContact CE2-CD2 3.67Å; Y557-F616 HydrophobicContact CE2-CE2 4.16Å; L585-F616 HydrophobicContact CD1-CE2 4.2Å; L585-F616 HydrophobicContact CD1-CZ 4.24Å; G612-F616 PolarHBondContact O-N 2.97Å; F616-I619 PolarHBondContact O-N 3.19Å; F616-L620 HydrophobicContact CD1-CD1 3.83Å; F616-L620 HydrophobicContact CE1-CD1 3.42Å; F616-L620 VanDerWaalsContact CE1-CD1 3.42Å; F616-L620 HydrophobicContact CE1-CG 4.22Å; F616-L620 HydrophobicContact CZ-CD1 3.99Å; F616-L620 HydrophobicContact CZ-CG 4.42Å; F616-L620 PolarHBondContact O-N 3.24Å
617	G	79.6	Confident	68.1	Low	12 Å²	12	54.4 Å²	54.4	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-39.7	173.5	0	0	0	0	0	113.5	C613 L620 T621	C613-G617 PolarHBondContact O-N 2.95Å; C613-G617 VanDerWaalsContact O-N 3.07Å; G617-L620 PolarHBondContact O-N 3.37Å; G617-T621 WeakPolarHBondContact O-CB 3.13Å; G617-T621 WeakPolarHBondContact O-CG2 3.41Å; G617-T621 PolarHBondContact O-N 3.17Å; G617-T621 PolarHBondContact O-OG1 3.1Å
618	R	78.2	Confident	68.2	Low	102 Å²	102	54 Å²	54	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-49	175.6	-173.5	-176.8	69.4	73.4	0.4	111.1	S614 E615 L620 T621 Q622	S614-R618 WeakPolarHBondContact O-CB 3.37Å; S614-R618 PolarHBondContact O-N 3.08Å; E615-R618 PolarHBondContact O-N 3.17Å; E615-R618 IonicContact OE1-NE 3Å; E615-R618 PolarHBondContact OE1-NE 3.23Å; E615-R618 IonicContact OE2-CZ 2.61Å; E615-R618 VanDerWaalsContact OE2-CZ 3.23Å; E615-R618 IonicContact OE2-NE 2.68Å; E615-R618 PolarHBondContact OE2-NE 3.25Å; E615-R618 IonicContact OE2-NH2 3.71Å; E615-R618 PolarHBondContact OE2-NH2 3.39Å; R618-L620 PolarHBondContact O-N 3.44Å; R618-T621 PolarHBondContact O-N 3.21Å; R618-T621 VanDerWaalsContact O-N 3.09Å; R618-T621 PolarHBondContact O-OG1 2.79Å; R618-Q622 VanDerWaalsContact CG-CD 3.48Å; R618-Q622 HydrophobicContact CG-CG 4.28Å; R618-Q622 VanDerWaalsContact NH1-OE1 3.13Å; R618-Q622 WeakPolarHBondContact O-CB 3.41Å; R618-Q622 PolarHBondContact O-N 2.91Å
619	I	78.8	Confident	67.6	Low	18 Å²	18	52.8 Å²	52.8	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-49.9	175.2	-78.4	166.9	0	0	0	110.9	Y557 L560 V561 Y582 L585 E615 F616 T621	Y557-I619 HydrophobicContact CD2-CD1 4.49Å; Y557-I619 HydrophobicContact CE2-CD1 3.68Å; L560-I619 HydrophobicContact CD2-CB 4.49Å; L560-I619 HydrophobicContact CD2-CG1 4.43Å; L560-I619 HydrophobicContact CD2-CG2 3.37Å; V561-I619 HydrophobicContact CG2-CD1 4.35Å; Y582-I619 VanDerWaalsContact CE2-O 3.27Å; Y582-I619 WeakPolarHBondContact CE2-O 3.18Å; Y582-I619 PolarHBondContact OH-O 3.05Å; L585-I619 HydrophobicContact CD2-CG2 3.51Å; E615-I619 WeakPolarHBondContact O-CB 3.34Å; E615-I619 WeakPolarHBondContact O-CG1 3.43Å; E615-I619 PolarHBondContact O-N 3.33Å; F616-I619 PolarHBondContact O-N 3.19Å; I619-T621 PolarHBondContact O-N 3.07Å; I619-T621 VanDerWaalsContact O-N 3.11Å
620	L	79.6	Confident	66.8	Low	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-12.1	179.5	-73.9	176.8	0	0	0	114.9	L585 W590 F616 G617 R618	L585-L620 HydrophobicContact CD1-CD2 4.28Å; L585-L620 HydrophobicContact CD2-CD2 3.75Å; L585-L620 HydrophobicContact CD2-CG 4.49Å; L585-L620 HydrophobicContact CG-CD2 3.68Å; W590-L620 HydrophobicContact CB-CD1 4.09Å; W590-L620 HydrophobicContact CG-CD1 4.32Å; F616-L620 HydrophobicContact CD1-CD1 3.83Å; F616-L620 HydrophobicContact CE1-CD1 3.42Å; F616-L620 VanDerWaalsContact CE1-CD1 3.42Å; F616-L620 HydrophobicContact CE1-CG 4.22Å; F616-L620 HydrophobicContact CZ-CD1 3.99Å; F616-L620 HydrophobicContact CZ-CG 4.42Å; F616-L620 PolarHBondContact O-N 3.24Å; G617-L620 PolarHBondContact O-N 3.37Å; R618-L620 PolarHBondContact O-N 3.44Å
621	T	74.6	Confident	65.8	Low	53 Å²	53	60.2 Å²	60.2	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-116.6	-12	-175.2	54	0	0	0	0	114.9	G617 R618 I619	G617-T621 WeakPolarHBondContact O-CB 3.13Å; G617-T621 WeakPolarHBondContact O-CG2 3.41Å; G617-T621 PolarHBondContact O-N 3.17Å; G617-T621 PolarHBondContact O-OG1 3.1Å; R618-T621 PolarHBondContact O-N 3.21Å; R618-T621 VanDerWaalsContact O-N 3.09Å; R618-T621 PolarHBondContact O-OG1 2.79Å; I619-T621 PolarHBondContact O-N 3.07Å; I619-T621 VanDerWaalsContact O-N 3.11Å
622	Q	75	Confident	64.5	Low	83 Å²	83	61.4 Å²	61.4	39%	0.388	34%	0.338	S	S	.	.	S	Bend	trans	-116.4	107.9	177.4	-64	-179.7	-16.5	0	0	109.7	Y582 R618	Y582-Q622 PolarHBondContact OH-O 2.69Å; R618-Q622 VanDerWaalsContact CG-CD 3.48Å; R618-Q622 HydrophobicContact CG-CG 4.28Å; R618-Q622 VanDerWaalsContact NH1-OE1 3.13Å; R618-Q622 WeakPolarHBondContact O-CB 3.41Å; R618-Q622 PolarHBondContact O-N 2.91Å
623	P	77.1	Confident	62.8	Low	36 Å²	36	68.6 Å²	68.6	23%	0.234	36%	0.363	C	S	.	.			trans	-60.5	133.5	171.2	-22.9	34.2	0	0	0	110.8	Y582 V626	Y582-P623 HydrophobicContact CE1-CB 3.92Å; Y582-P623 HydrophobicContact CE1-CG 4.28Å; P623-V626 HydrophobicContact CB-CG2 4.07Å
624	P	74.9	Confident	60.8	Low	17 Å²	17	75.4 Å²	75.4	11%	0.11	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	167.6	172.6	33.6	-35.9	0	0	0	110.3	L560 C564 L579 Y582 V626	L560-P624 HydrophobicContact CD1-CG 4.45Å; C564-P624 HydrophobicContact CB-CB 4.19Å; L579-P624 HydrophobicContact CD2-CG 4.34Å; Y582-P624 VanDerWaalsContact CD1-CD 3.48Å; Y582-P624 HydrophobicContact CD1-CG 4.25Å; Y582-P624 HydrophobicContact CD2-CG 4.21Å; Y582-P624 VanDerWaalsContact CG-CD 3.46Å; Y582-P624 HydrophobicContact CG-CG 3.89Å; P624-V626 PolarHBondContact O-N 3.42Å; P624-V626 VanDerWaalsContact O-N 3.12Å
625	C	73.3	Confident	58.9	Low	16 Å²	16	78.7 Å²	78.7	11%	0.108	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	4.6	177.5	-37.9	0	0	0	0	115.7	C571 L579	C571-C625 HydrophobicContact CB-CB 3.7Å; C571-C625 WeakPolarHBondContact CB-SG 3.37Å; C571-C625 WeakPolarHBondContact SG-CA 3.36Å; C571-C625 WeakPolarHBondContact SG-CB 3.24Å; C571-C625 PolarHBondContact SG-N 2.97Å; C571-C625 CovalentContact SG-SG 2.03Å; C571-C625 PolarHBondContact SG-SG 3.49Å; L579-C625 HydrophobicContact CD2-CB 4.42Å
626	V	67.9	Low	57	Low	42 Å²	42	83.9 Å²	83.9	26%	0.255	44%	0.438	S	S	.	.	S	Bend	trans	-90	130.8	171.6	178.4	0	0	0	0	109.3	T510 P623 P624 I628	T510-V626 HydrophobicContact CG2-CG1 4.12Å; T510-V626 HydrophobicContact CG2-CG2 4.26Å; P623-V626 HydrophobicContact CB-CG2 4.07Å; P624-V626 PolarHBondContact O-N 3.42Å; P624-V626 VanDerWaalsContact O-N 3.12Å; V626-I628 PolarHBondContact O-N 2.73Å
627	E	57.8	Low	54.8	Low	107 Å²	107	91 Å²	91	50%	0.5	48%	0.476	S	S	.	.			trans	-63.4	101.5	173.3	-71.6	-175.4	-177	0	0	111.2	L570 T629	L570-E627 HydrophobicContact CD2-CG 4.13Å; E627-T629 PolarHBondContact O-N 2.76Å
628	I	48.4	Very low	52.5	Low	118 Å²	118	96.8 Å²	96.8	61%	0.605	51%	0.511	S	S	*	.			trans	-76.7	75.2	168.6	-51.4	177.3	0	0	0	107.8	V626 P630	V626-I628 PolarHBondContact O-N 2.73Å; I628-P630 VanDerWaalsContact O-CD 3.27Å; I628-P630 WeakPolarHBondContact O-CD 3.42Å; I628-P630 VanDerWaalsContact O-N 3.15Å
629	T	38.3	Very low	50.3	Low	107 Å²	107	96.1 Å²	96.1	66%	0.656	53%	0.528	S	S	*	.			trans	-58.9	115.5	169	37.6	0	0	0	0	108.7	E627 K631	E627-T629 PolarHBondContact O-N 2.76Å; T629-K631 PolarHBondContact O-N 3.13Å
630	P	32.8	Very low	48.3	Very low	104 Å²	104	102.3 Å²	102.3	68%	0.675	56%	0.56	S	S	*	*			trans	-65	138.9	177	27.7	-33.3	0	0	0	108.5	I628 T632	I628-P630 VanDerWaalsContact O-CD 3.27Å; I628-P630 WeakPolarHBondContact O-CD 3.42Å; I628-P630 VanDerWaalsContact O-N 3.15Å; P630-T632 VanDerWaalsContact C-N 3.26Å; P630-T632 PolarHBondContact O-N 2.88Å
631	K	29.8	Very low	46.4	Very low	199 Å²	199	108.9 Å²	108.9	87%	0.865	60%	0.6	S	S	*	*			trans	-68.2	76.9	-174	-68.5	-175.3	177.7	-177.5	0	112.7	T629	T629-K631 PolarHBondContact O-N 3.13Å
632	T	30.8	Very low	45.2	Very low	104 Å²	104	115 Å²	115	64%	0.638	63%	0.625	S	S	*	*			trans	-91.2	106.4	172.1	-54.4	0	0	0	0	108.6	P630 Q634	P630-T632 VanDerWaalsContact C-N 3.26Å; P630-T632 PolarHBondContact O-N 2.88Å; T632-Q634 PolarHBondContact O-N 2.99Å
633	H	29	Very low	44.4	Very low	182 Å²	182	118.6 Å²	118.6	84%	0.843	64%	0.639	S	S	*	*			trans	-72.9	94.4	176.3	-75.9	-87.2	0	0	0	110.8
634	Q	30	Very low	43.8	Very low	153 Å²	153	119.5 Å²	119.5	72%	0.715	65%	0.645	S	S	*	*			trans	-130.2	133.4	162.1	-83.1	-176.7	-50.9	0	0	110.6	T632 E636	T632-Q634 PolarHBondContact O-N 2.99Å; Q634-E636 PolarHBondContact O-N 3.31Å
635	P	31.4	Very low	43.2	Very low	127 Å²	127	121.9 Å²	121.9	83%	0.825	66%	0.656	S	S	*	*			trans	-87.5	91.7	177.8	33.7	-31.8	0	0	0	110.5
636	E	31.3	Very low	42.9	Very low	181 Å²	181	122.6 Å²	122.6	85%	0.846	66%	0.657	S	S	*	*			trans	-76.2	143.1	170.2	-64.8	-162	125.3	0	0	111.4	Q634	Q634-E636 PolarHBondContact O-N 3.31Å
637	N	31.9	Very low	43.1	Very low	148 Å²	148	121 Å²	121	79%	0.791	65%	0.648	S	S	*	*			trans	-74.3	130.9	-166.8	-79	-64.1	0	0	0	112.6	A639	N637-A639 VanDerWaalsContact C-N 3.27Å; N637-A639 PolarHBondContact O-N 3.36Å
638	P	32.4	Very low	43.6	Very low	135 Å²	135	118.4 Å²	118.4	88%	0.877	64%	0.639	S	S	*	*			trans	-77.5	73.2	178.5	33	-36	0	0	0	111.4
639	A	32.1	Very low	44.2	Very low	88 Å²	88	114.2 Å²	114.2	73%	0.727	62%	0.618	S	S	*	*			trans	-126.6	23.3	-173.3	0	0	0	0	0	114.4	N637	N637-A639 VanDerWaalsContact C-N 3.27Å; N637-A639 PolarHBondContact O-N 3.36Å
640	L	36.8	Very low	45.6	Very low	148 Å²	148	109.1 Å²	109.1	78%	0.775	59%	0.586	S	S	*	*	S	Bend	trans	-128.6	102.5	171.5	-151.2	74.6	0	0	0	111	H642	L640-H642 VanDerWaalsContact C-N 3.34Å; L640-H642 PolarHBondContact O-CD2 3.3Å; L640-H642 VanDerWaalsContact O-CD2 3.26Å; L640-H642 PolarHBondContact O-N 2.88Å
641	T	38.8	Very low	47.4	Very low	138 Å²	138	111.7 Å²	111.7	85%	0.847	59%	0.587	S	S	*	*			trans	-8.4	61.6	171	48.5	0	0	0	0	119.8	K643	T641-K643 PolarHBondContact O-N 2.03Å
642	H	48.5	Very low	49	Very low	182 Å²	182	107.2 Å²	107.2	84%	0.843	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.6	166.3	-80.5	-88.3	0	0	0	110.2	L640	L640-H642 VanDerWaalsContact C-N 3.34Å; L640-H642 PolarHBondContact O-CD2 3.3Å; L640-H642 VanDerWaalsContact O-CD2 3.26Å; L640-H642 PolarHBondContact O-N 2.88Å
643	K	58.2	Low	50.4	Low	158 Å²	158	105.5 Å²	105.5	69%	0.687	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-64.8	136.3	168.1	-74.4	-173.1	174.3	-175.6	0	109.1	T641 C647	T641-K643 PolarHBondContact O-N 2.03Å; K643-C647 HydrophobicContact CB-CB 4.39Å
644	P	64.8	Low	52.1	Low	55 Å²	55	105.4 Å²	105.4	36%	0.357	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-57.7	149.5	178.6	-26.1	34.8	0	0	0	112.6	Y646 C647 T648	P644-Y646 HydrophobicContact CB-CD1 3.7Å; P644-Y646 HydrophobicContact CB-CD2 4.36Å; P644-Y646 HydrophobicContact CB-CE1 3.22Å; P644-Y646 HydrophobicContact CB-CE2 3.96Å; P644-Y646 HydrophobicContact CB-CG 4.25Å; P644-Y646 HydrophobicContact CG-CE1 4.02Å; P644-Y646 HydrophobicContact CG-CE2 4.34Å; P644-Y646 PolarHBondContact O-N 3.14Å; P644-Y646 VanDerWaalsContact O-N 3.16Å; P644-C647 WeakPolarHBondContact O-CA 3.39Å; P644-C647 VanDerWaalsContact O-CB 3.32Å; P644-C647 WeakPolarHBondContact O-CB 3.38Å; P644-C647 PolarHBondContact O-N 3.31Å; P644-T648 PolarHBondContact O-N 3.5Å
645	L	63.2	Low	53.7	Low	67 Å²	67	100.4 Å²	100.4	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-51.5	-42.8	-177	-179	62.5	0	0	0	112.7	C647 T648 I649 M663	L645-C647 PolarHBondContact O-N 2.82Å; L645-T648 WeakPolarHBondContact O-CB 3.43Å; L645-T648 PolarHBondContact O-N 3.3Å; L645-T648 VanDerWaalsContact O-N 3.07Å; L645-I649 HydrophobicContact CG-CD1 4.02Å; L645-I649 WeakPolarHBondContact O-CG1 3.11Å; L645-I649 PolarHBondContact O-N 2.66Å; L645-M663 HydrophobicContact CD2-CE 4.42Å
646	Y	67.3	Low	55.8	Low	32 Å²	32	97.9 Å²	97.9	13%	0.125	52%	0.516	C	S	.	.	H	α-helix	trans	-61.6	-28.2	176.7	58.6	-98.5	0	0	0	113.3	P644 I649 M650 C683 N684 G688 C689	P644-Y646 HydrophobicContact CB-CD1 3.7Å; P644-Y646 HydrophobicContact CB-CD2 4.36Å; P644-Y646 HydrophobicContact CB-CE1 3.22Å; P644-Y646 HydrophobicContact CB-CE2 3.96Å; P644-Y646 HydrophobicContact CB-CG 4.25Å; P644-Y646 HydrophobicContact CG-CE1 4.02Å; P644-Y646 HydrophobicContact CG-CE2 4.34Å; P644-Y646 PolarHBondContact O-N 3.14Å; P644-Y646 VanDerWaalsContact O-N 3.16Å; Y646-I649 PolarHBondContact O-N 3.16Å; Y646-M650 WeakPolarHBondContact O-CB 3.4Å; Y646-M650 WeakPolarHBondContact O-CG 3Å; Y646-M650 PolarHBondContact O-N 3.4Å; Y646-C683 HydrophobicContact CD1-CB 3.58Å; Y646-C683 HydrophobicContact CD2-CB 3.61Å; Y646-C683 HydrophobicContact CE1-CB 3.89Å; Y646-C683 HydrophobicContact CE2-CB 3.93Å; Y646-C683 HydrophobicContact CG-CB 3.42Å; Y646-C683 VanDerWaalsContact CG-CB 3.42Å; Y646-N684 WeakPolarHBondContact CE2-O 3.25Å; Y646-G688 WeakPolarHBondContact OH-CA 3.01Å; Y646-C689 WeakPolarHBondContact CE1-SG 3.33Å
647	C	71.2	Confident	57.8	Low	9 Å²	9	93.6 Å²	93.6	6%	0.061	49%	0.494	C	S	.	.	H	α-helix	trans	-76.4	-31.9	173.2	-67.8	0	0	0	0	113.4	K643 P644 L645 I649 K651 C685	K643-C647 HydrophobicContact CB-CB 4.39Å; P644-C647 WeakPolarHBondContact O-CA 3.39Å; P644-C647 VanDerWaalsContact O-CB 3.32Å; P644-C647 WeakPolarHBondContact O-CB 3.38Å; P644-C647 PolarHBondContact O-N 3.31Å; L645-C647 PolarHBondContact O-N 2.82Å; C647-I649 VanDerWaalsContact C-N 3.34Å; C647-K651 WeakPolarHBondContact O-CB 3.4Å; C647-K651 PolarHBondContact O-N 2.96Å; C647-C685 WeakPolarHBondContact CA-SG 3.46Å; C647-C685 HydrophobicContact CB-CB 4.32Å; C647-C685 WeakPolarHBondContact CB-SG 3.02Å; C647-C685 WeakPolarHBondContact SG-CA 3.46Å; C647-C685 WeakPolarHBondContact SG-CB 2.97Å; C647-C685 CovalentContact SG-SG 2.04Å; C647-C685 PolarHBondContact SG-SG 3.32Å
648	T	68.5	Low	59.6	Low	52 Å²	52	94.7 Å²	94.7	32%	0.319	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-41.9	169.4	-56.3	0	0	0	0	110.1	P644 L645 K651 K652	P644-T648 PolarHBondContact O-N 3.5Å; L645-T648 WeakPolarHBondContact O-CB 3.43Å; L645-T648 PolarHBondContact O-N 3.3Å; L645-T648 VanDerWaalsContact O-N 3.07Å; T648-K651 PolarHBondContact O-N 2.94Å; T648-K652 HydrophobicContact CG2-CD 4.47Å; T648-K652 WeakPolarHBondContact O-CB 3.45Å; T648-K652 WeakPolarHBondContact O-CG 3.18Å; T648-K652 PolarHBondContact O-N 2.76Å
649	I	61.7	Low	61.4	Low	29 Å²	29	91.2 Å²	91.2	15%	0.149	47%	0.469	C	S	.	.	H	α-helix	trans	-62.3	-51.4	174.3	-68.1	166.3	0	0	0	111.1	L645 Y646 C647 K651 K652 L653 M663	L645-I649 HydrophobicContact CG-CD1 4.02Å; L645-I649 WeakPolarHBondContact O-CG1 3.11Å; L645-I649 PolarHBondContact O-N 2.66Å; Y646-I649 PolarHBondContact O-N 3.16Å; C647-I649 VanDerWaalsContact C-N 3.34Å; I649-K651 VanDerWaalsContact C-N 3.32Å; I649-K651 PolarHBondContact O-N 2.92Å; I649-K652 PolarHBondContact O-N 3.28Å; I649-K652 VanDerWaalsContact O-N 3.15Å; I649-L653 HydrophobicContact CG2-CD1 3.64Å; I649-L653 HydrophobicContact CG2-CG 4.29Å; I649-L653 WeakPolarHBondContact O-CB 3.29Å; I649-L653 WeakPolarHBondContact O-CG 3.43Å; I649-L653 PolarHBondContact O-N 3.43Å; I649-M663 HydrophobicContact CD1-CE 3.74Å; I649-M663 HydrophobicContact CD1-SD 4.08Å
650	M	68	Low	63	Low	0 Å²	0	92 Å²	92	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-57.1	-43.7	177.2	-72.8	170.3	82.2	0	0	111.8	Y646 L653 Q654 I655 P656 D659 V661 C685	Y646-M650 WeakPolarHBondContact O-CB 3.4Å; Y646-M650 WeakPolarHBondContact O-CG 3Å; Y646-M650 PolarHBondContact O-N 3.4Å; M650-L653 PolarHBondContact O-N 3.16Å; M650-Q654 PolarHBondContact O-N 3.44Å; M650-I655 HydrophobicContact CB-CB 4.19Å; M650-I655 HydrophobicContact CE-CG2 3.94Å; M650-I655 HydrophobicContact CG-CB 4.23Å; M650-I655 HydrophobicContact CG-CG2 4.22Å; M650-I655 PolarHBondContact O-N 3.07Å; M650-P656 WeakPolarHBondContact CE-O 3.38Å; M650-D659 WeakPolarHBondContact CE-O 3.03Å; M650-V661 HydrophobicContact CG-CB 4.4Å; M650-V661 HydrophobicContact CG-CG2 3.41Å; M650-V661 VanDerWaalsContact CG-CG2 3.41Å; M650-V661 HydrophobicContact SD-CG2 4.01Å; M650-C685 VanDerWaalsContact SD-SG 3.63Å
651	K	70.3	Confident	64.1	Low	158 Å²	158	86 Å²	86	69%	0.687	43%	0.426	S	S	*	.	H	α-helix	trans	-62.6	-44.9	175.2	-171	-167.5	174.6	-163.8	0	112.2	C647 T648 I649 L653 Q654 F657	C647-K651 WeakPolarHBondContact O-CB 3.4Å; C647-K651 PolarHBondContact O-N 2.96Å; T648-K651 PolarHBondContact O-N 2.94Å; I649-K651 VanDerWaalsContact C-N 3.32Å; I649-K651 PolarHBondContact O-N 2.92Å; K651-L653 VanDerWaalsContact C-N 3.34Å; K651-Q654 PolarHBondContact O-N 3.48Å; K651-F657 HydrophobicContact CB-CE1 4.38Å; K651-F657 HydrophobicContact CB-CZ 4.4Å
652	K	62.1	Low	65.2	Low	106 Å²	106	82.6 Å²	82.6	46%	0.461	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-37.5	178.1	-77.8	-176.1	177.1	-173.5	0	112	E447 S450 T648 I649	E447-K652 IonicContact OE2-NZ 2.99Å; E447-K652 PolarHBondContact OE2-NZ 2.03Å; S450-K652 PolarHBondContact OG-NZ 3.12Å; T648-K652 HydrophobicContact CG2-CD 4.47Å; T648-K652 WeakPolarHBondContact O-CB 3.45Å; T648-K652 WeakPolarHBondContact O-CG 3.18Å; T648-K652 PolarHBondContact O-N 2.76Å; I649-K652 PolarHBondContact O-N 3.28Å; I649-K652 VanDerWaalsContact O-N 3.15Å
653	L	60.1	Low	65.7	Low	68 Å²	68	75 Å²	75	36%	0.356	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.4	-179.4	-63.3	178.5	0	0	0	114.3	Y453 I649 M650 K651 I655	Y453-L653 HydrophobicContact CD2-CD2 4.45Å; Y453-L653 HydrophobicContact CE2-CD2 3.57Å; I649-L653 HydrophobicContact CG2-CD1 3.64Å; I649-L653 HydrophobicContact CG2-CG 4.29Å; I649-L653 WeakPolarHBondContact O-CB 3.29Å; I649-L653 WeakPolarHBondContact O-CG 3.43Å; I649-L653 PolarHBondContact O-N 3.43Å; M650-L653 PolarHBondContact O-N 3.16Å; K651-L653 VanDerWaalsContact C-N 3.34Å; L653-I655 HydrophobicContact CB-CD1 3.76Å; L653-I655 HydrophobicContact CB-CG1 3.79Å; L653-I655 HydrophobicContact CD1-CD1 3.82Å; L653-I655 HydrophobicContact CG-CD1 4.46Å; L653-I655 PolarHBondContact O-N 3.11Å; L653-I655 VanDerWaalsContact O-N 3.16Å
654	Q	65.7	Low	65.3	Low	180 Å²	180	71 Å²	71	84%	0.841	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	25	-175.4	-51.8	-177.3	13.9	0	0	114.2	M650 K651	M650-Q654 PolarHBondContact O-N 3.44Å; K651-Q654 PolarHBondContact O-N 3.48Å
655	I	64.1	Low	64.6	Low	48 Å²	48	70 Å²	70	25%	0.246	35%	0.347	C	S	.	.			trans	-75.1	130	177.8	-62.8	171.7	0	0	0	108.6	M650 L653 F657 D659 V661	M650-I655 HydrophobicContact CB-CB 4.19Å; M650-I655 HydrophobicContact CE-CG2 3.94Å; M650-I655 HydrophobicContact CG-CB 4.23Å; M650-I655 HydrophobicContact CG-CG2 4.22Å; M650-I655 PolarHBondContact O-N 3.07Å; L653-I655 HydrophobicContact CB-CD1 3.76Å; L653-I655 HydrophobicContact CB-CG1 3.79Å; L653-I655 HydrophobicContact CD1-CD1 3.82Å; L653-I655 HydrophobicContact CG-CD1 4.46Å; L653-I655 PolarHBondContact O-N 3.11Å; L653-I655 VanDerWaalsContact O-N 3.16Å; I655-F657 PolarHBondContact O-N 3.47Å; I655-D659 HydrophobicContact CG2-CB 3.78Å; I655-V661 HydrophobicContact CD1-CG2 3.88Å; I655-V661 HydrophobicContact CG2-CG2 4.47Å
656	P	75.7	Confident	63.8	Low	74 Å²	74	69.9 Å²	69.9	48%	0.481	35%	0.346	S	S	.	.			trans	-53	136.4	176	-26.7	34.9	0	0	0	112.1	M650 E658 D659	M650-P656 WeakPolarHBondContact CE-O 3.38Å; P656-E658 PolarHBondContact O-N 2.96Å; P656-D659 PolarHBondContact O-N 3.14Å
657	F	72.3	Confident	62.9	Low	91 Å²	91	76.7 Å²	76.7	40%	0.399	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.5	-179	-62.2	-65.8	0	0	0	114.2	K651 I655 N684 C685 H686	K651-F657 HydrophobicContact CB-CE1 4.38Å; K651-F657 HydrophobicContact CB-CZ 4.4Å; I655-F657 PolarHBondContact O-N 3.47Å; F657-N684 PolarHBondContact O-ND2 2.82Å; F657-C685 HydrophobicContact CB-CB 4.25Å; F657-C685 HydrophobicContact CD1-CB 4.01Å; F657-H686 WeakPolarHBondContact CB-NE2 3.32Å; F657-H686 PolarHBondContact O-CD2 2.9Å
658	E	70.3	Confident	61.4	Low	170 Å²	170	82.4 Å²	82.4	79%	0.794	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.3	174.3	-61.7	-179.2	177.2	0	0	113.9	P656 N684	P656-E658 PolarHBondContact O-N 2.96Å; E658-N684 PolarHBondContact O-ND2 2.85Å; E658-N684 VanDerWaalsContact O-ND2 3.1Å
659	D	68.8	Low	60	Low	63 Å²	63	87 Å²	87	34%	0.337	41%	0.414	S	S	.	.	S	Bend	trans	-75.1	169.6	175.7	-91.1	-53.8	0	0	0	111.8	M650 I655 P656 N684 R743	M650-D659 WeakPolarHBondContact CE-O 3.03Å; I655-D659 HydrophobicContact CG2-CB 3.78Å; P656-D659 PolarHBondContact O-N 3.14Å; D659-N684 PolarHBondContact O-ND2 3.17Å; D659-R743 IonicContact OD1-NH2 2.68Å
660	F	67.3	Low	58.6	Low	104 Å²	104	94.8 Å²	94.8	46%	0.456	45%	0.45	S	S	.	.			trans	-113.9	129.7	175.7	-71.1	-102.5	0	0	0	111	L682 C683 N684	F660-L682 HydrophobicContact CB-CB 4.38Å; F660-L682 HydrophobicContact CB-CD2 4.05Å; F660-L682 HydrophobicContact CD1-CB 4.18Å; F660-C683 WeakPolarHBondContact CA-O 3.36Å; F660-N684 HydrophobicContact CD1-CB 3.6Å; F660-N684 HydrophobicContact CD2-CB 4.37Å; F660-N684 HydrophobicContact CE1-CB 3.52Å; F660-N684 HydrophobicContact CE2-CB 4.3Å; F660-N684 HydrophobicContact CG-CB 4.05Å; F660-N684 HydrophobicContact CZ-CB 3.89Å
661	V	59.3	Low	57.2	Low	23 Å²	23	102.1 Å²	102.1	14%	0.139	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.5	171.6	174.3	0	0	0	0	109.9	M650 I655 M663 C683	M650-V661 HydrophobicContact CG-CB 4.4Å; M650-V661 HydrophobicContact CG-CG2 3.41Å; M650-V661 VanDerWaalsContact CG-CG2 3.41Å; M650-V661 HydrophobicContact SD-CG2 4.01Å; I655-V661 HydrophobicContact CD1-CG2 3.88Å; I655-V661 HydrophobicContact CG2-CG2 4.47Å; V661-M663 HydrophobicContact CG1-SD 3.95Å; V661-M663 PolarHBondContact O-N 2.84Å; V661-C683 PolarHBondContact N-O 2.98Å; V661-C683 PolarHBondContact O-N 3.17Å
662	R	62.6	Low	55.4	Low	65 Å²	65	104.2 Å²	104.2	25%	0.245	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	112.1	174.1	-164.8	-173	-158.5	-124.2	11.1	109.4	S680 L681 L682 Y695 Y796	R662-S680 PolarHBondContact NH1-OG 2.95Å; R662-S680 PolarHBondContact NH2-OG 3.09Å; R662-L681 CarbonylContact C-O 3.47Å; R662-L681 WeakPolarHBondContact CA-O 3.2Å; R662-L682 HydrophobicContact CB-CG 4.47Å; R662-L682 HydrophobicContact CG-CG 4.47Å; R662-Y695 PolarHBondContact NH2-OH 3.24Å; R662-Y796 VanDerWaalsContact CZ-CE1 3.45Å
663	M	57.3	Low	54	Low	22 Å²	22	103 Å²	103	11%	0.108	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.5	174.3	-58.8	-67.1	-68.5	0	0	109.7	L645 I649 V661 L681 C683	L645-M663 HydrophobicContact CD2-CE 4.42Å; I649-M663 HydrophobicContact CD1-CE 3.74Å; I649-M663 HydrophobicContact CD1-SD 4.08Å; V661-M663 HydrophobicContact CG1-SD 3.95Å; V661-M663 PolarHBondContact O-N 2.84Å; M663-L681 HydrophobicContact CB-CB 4.42Å; M663-L681 PolarHBondContact N-O 3Å; M663-L681 PolarHBondContact O-N 2.83Å; M663-C683 HydrophobicContact CG-CB 4.3Å
664	P	50.5	Low	52.8	Low	75 Å²	75	107.9 Å²	107.9	49%	0.487	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.1	168	28.9	-33.3	0	0	0	110.3	L666	P664-L666 HydrophobicContact CG-CG 4.49Å; P664-L666 PolarHBondContact O-N 3.48Å
665	S	51.2	Low	51.5	Low	34 Å²	34	107.1 Å²	107.1	24%	0.238	53%	0.529	C	S	.	.			trans	-76.4	95.8	170.9	-176.9	0	0	0	0	109.9	R667 C679	S665-R667 PolarHBondContact O-N 3.46Å; S665-C679 WeakPolarHBondContact CB-O 3.32Å; S665-C679 PolarHBondContact N-O 3.45Å; S665-C679 VanDerWaalsContact N-O 3.15Å
666	L	45.9	Very low	50.4	Low	65 Å²	65	107.8 Å²	107.8	34%	0.34	54%	0.542	S	S	.	.			trans	-69.9	16	175.9	-66.7	161.9	0	0	0	114.2	L516 D517 P664	L516-L666 HydrophobicContact CB-CD1 4.45Å; L516-L666 HydrophobicContact CB-CD2 4.33Å; L516-L666 HydrophobicContact CD2-CB 4.23Å; L516-L666 HydrophobicContact CD2-CD2 4.06Å; L516-L666 HydrophobicContact CG-CD2 4.31Å; D517-L666 WeakPolarHBondContact OD1-CD2 3.32Å; D517-L666 WeakPolarHBondContact OD2-CD1 3.47Å; P664-L666 HydrophobicContact CG-CG 4.49Å; P664-L666 PolarHBondContact O-N 3.48Å
667	R	48.4	Very low	49.1	Very low	174 Å²	174	112.7 Å²	112.7	66%	0.657	55%	0.551	S	S	*	*			trans	-119.5	100	176.4	-67.2	-170.3	-177.5	-158.8	0.8	110.2	S665 Y669	S665-R667 PolarHBondContact O-N 3.46Å; R667-Y669 VanDerWaalsContact C-N 3.35Å; R667-Y669 HydrophobicContact CB-CD2 4.19Å; R667-Y669 PolarHBondContact O-N 2.97Å; R667-Y669 VanDerWaalsContact O-N 3.11Å
668	D	39.6	Very low	48.2	Very low	129 Å²	129	112 Å²	112	69%	0.69	55%	0.551	S	S	*	*			trans	-63.1	100	147.1	-74.9	-38	0	0	0	107.5	Q670	D668-Q670 PolarHBondContact O-N 3.46Å; D668-Q670 VanDerWaalsContact O-N 3.13Å
669	Y	38	Very low	47.3	Very low	148 Å²	148	104.8 Å²	104.8	58%	0.58	52%	0.519	S	S	*	.			trans	-71.1	106.9	170	-113.9	-94.5	0	0	0	108.4	R667 E671	R667-Y669 VanDerWaalsContact C-N 3.35Å; R667-Y669 HydrophobicContact CB-CD2 4.19Å; R667-Y669 PolarHBondContact O-N 2.97Å; R667-Y669 VanDerWaalsContact O-N 3.11Å; Y669-E671 HydrophobicContact CD1-CG 4.25Å; Y669-E671 PolarHBondContact O-N 3.41Å
670	Q	33.9	Very low	46.6	Very low	194 Å²	194	102.1 Å²	102.1	91%	0.907	51%	0.506	S	S	*	.			trans	-73.2	67	170.2	-68.9	-170.4	-43.4	0	0	110.6	D668	D668-Q670 PolarHBondContact O-N 3.46Å; D668-Q670 VanDerWaalsContact O-N 3.13Å
671	E	36.8	Very low	46.3	Very low	154 Å²	154	98.8 Å²	98.8	72%	0.72	49%	0.492	S	S	*	.			trans	-89.9	139.2	159.8	-78.8	-178.4	-173.3	0	0	109.7	Y669 G673	Y669-E671 HydrophobicContact CD1-CG 4.25Å; Y669-E671 PolarHBondContact O-N 3.41Å; E671-G673 PolarHBondContact O-N 2.76Å
672	E	32.9	Very low	46.7	Very low	202 Å²	202	99.5 Å²	99.5	94%	0.944	50%	0.495	S	S	*	.	S	Bend	trans	-74.4	119.6	-163.5	-63.1	178.6	116.7	0	0	112.6
673	G	34.3	Very low	46.9	Very low	80 Å²	80	96.5 Å²	96.5	83%	0.825	48%	0.484	S	S	*	.	S	Bend	trans	96.8	-10.6	151.4	0	0	0	0	0	118.9	E671	E671-G673 PolarHBondContact O-N 2.76Å
674	Q	34.1	Very low	48	Very low	170 Å²	170	95.6 Å²	95.6	79%	0.794	48%	0.48	S	S	*	.	S	Bend	trans	-137.5	108.6	-179	-67	-171.5	7.2	0	0	114.8
675	F	39.3	Very low	49.1	Very low	164 Å²	164	93.6 Å²	93.6	72%	0.719	47%	0.467	S	S	*	.			trans	45.8	86.3	162.7	-62.9	-83.6	0	0	0	117	R677	F675-R677 PolarHBondContact O-N 3.32Å; F675-R677 VanDerWaalsContact O-N 3.12Å
676	A	40.2	Very low	50.3	Low	62 Å²	62	98.8 Å²	98.8	51%	0.512	49%	0.487	S	S	.	.			trans	-56.4	115.9	164.3	0	0	0	0	0	110.6	T697	A676-T697 PolarHBondContact O-OG1 2.94Å
677	R	49.1	Very low	51.4	Low	178 Å²	178	101 Å²	101	67%	0.672	50%	0.503	S	S	*	.			trans	-101.6	106.3	178.6	-68.7	-179.9	-176.6	177.2	1.4	109.7	F675 C679 C694	F675-R677 PolarHBondContact O-N 3.32Å; F675-R677 VanDerWaalsContact O-N 3.12Å; R677-C679 PolarHBondContact O-N 2.85Å; R677-C679 VanDerWaalsContact O-N 3.11Å; R677-C679 PolarHBondContact O-SG 3.01Å; R677-C679 VanDerWaalsContact O-SG 3.36Å; R677-C694 HydrophobicContact CB-CB 4.4Å
678	N	52.3	Low	52.3	Low	76 Å²	76	93.8 Å²	93.8	41%	0.406	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	111.8	172.7	-65	34	0	0	0	107.7	Y695	N678-Y695 WeakPolarHBondContact O-CD2 3.31Å; N678-Y695 PolarHBondContact O-N 3.45Å
679	C	52	Low	53.6	Low	18 Å²	18	90.5 Å²	90.5	12%	0.122	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.5	-179.5	-56.1	0	0	0	0	111.9	S665 R677 Y691 M693 C694	S665-C679 WeakPolarHBondContact CB-O 3.32Å; S665-C679 PolarHBondContact N-O 3.45Å; S665-C679 VanDerWaalsContact N-O 3.15Å; R677-C679 PolarHBondContact O-N 2.85Å; R677-C679 VanDerWaalsContact O-N 3.11Å; R677-C679 PolarHBondContact O-SG 3.01Å; R677-C679 VanDerWaalsContact O-SG 3.36Å; C679-Y691 HydrophobicContact CB-CD1 3.87Å; C679-Y691 HydrophobicContact CB-CE1 4.15Å; C679-M693 CarbonylContact C-O 3.48Å; C679-M693 WeakPolarHBondContact CA-O 3.45Å; C679-M693 WeakPolarHBondContact CB-O 3.33Å; C679-C694 HydrophobicContact CB-CB 4.09Å; C679-C694 WeakPolarHBondContact CB-SG 3.27Å; C679-C694 WeakPolarHBondContact SG-CB 3.36Å; C679-C694 CovalentContact SG-SG 2.04Å; C679-C694 PolarHBondContact SG-SG 2.99Å
680	S	54	Low	54.7	Low	8 Å²	8	91 Å²	91	6%	0.056	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137	168.4	-49.3	0	0	0	0	109.9	R662 E692 M693	R662-S680 PolarHBondContact NH1-OG 2.95Å; R662-S680 PolarHBondContact NH2-OG 3.09Å; S680-E692 PolarHBondContact O-N 2.03Å; S680-M693 PolarHBondContact N-O 2.64Å
681	L	61.2	Low	55.8	Low	33 Å²	33	88.6 Å²	88.6	17%	0.173	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.9	172.9	-63.2	170.7	0	0	0	108.8	R662 M663 C689 R690 Y691	R662-L681 CarbonylContact C-O 3.47Å; R662-L681 WeakPolarHBondContact CA-O 3.2Å; M663-L681 HydrophobicContact CB-CB 4.42Å; M663-L681 PolarHBondContact N-O 3Å; M663-L681 PolarHBondContact O-N 2.83Å; L681-C689 HydrophobicContact CB-CB 4.34Å; L681-C689 HydrophobicContact CD1-CB 4.47Å; L681-C689 HydrophobicContact CD2-CB 4.37Å; L681-R690 WeakPolarHBondContact CA-O 3.4Å; L681-Y691 HydrophobicContact CD2-CD1 3.65Å; L681-Y691 HydrophobicContact CD2-CD2 4.1Å; L681-Y691 HydrophobicContact CD2-CE1 3.69Å; L681-Y691 HydrophobicContact CD2-CE2 4.14Å; L681-Y691 HydrophobicContact CD2-CG 3.85Å
682	L	67.6	Low	56.5	Low	39 Å²	39	86.2 Å²	86.2	20%	0.204	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.3	160.7	-79.6	102	0	0	0	108.5	F660 R662 C689 R690 E692	F660-L682 HydrophobicContact CB-CB 4.38Å; F660-L682 HydrophobicContact CB-CD2 4.05Å; F660-L682 HydrophobicContact CD1-CB 4.18Å; R662-L682 HydrophobicContact CB-CG 4.47Å; R662-L682 HydrophobicContact CG-CG 4.47Å; L682-C689 CarbonylContact O-C 3.57Å; L682-C689 WeakPolarHBondContact O-CA 3.02Å; L682-R690 PolarHBondContact N-O 2.02Å; L682-R690 PolarHBondContact O-N 3.49Å; L682-E692 HydrophobicContact CD1-CB 3.63Å
683	C	65.6	Low	57.1	Low	1 Å²	1	80.7 Å²	80.7	1%	0.007	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.8	-170.9	-57.5	0	0	0	0	111.5	Y646 F660 V661 M663 G688 C689	Y646-C683 HydrophobicContact CD1-CB 3.58Å; Y646-C683 HydrophobicContact CD2-CB 3.61Å; Y646-C683 HydrophobicContact CE1-CB 3.89Å; Y646-C683 HydrophobicContact CE2-CB 3.93Å; Y646-C683 HydrophobicContact CG-CB 3.42Å; Y646-C683 VanDerWaalsContact CG-CB 3.42Å; F660-C683 WeakPolarHBondContact CA-O 3.36Å; V661-C683 PolarHBondContact N-O 2.98Å; V661-C683 PolarHBondContact O-N 3.17Å; M663-C683 HydrophobicContact CG-CB 4.3Å; C683-G688 WeakPolarHBondContact CA-O 3.26Å; C683-C689 HydrophobicContact CB-CB 4.11Å; C683-C689 WeakPolarHBondContact CB-SG 3.4Å; C683-C689 WeakPolarHBondContact SG-CB 3.3Å; C683-C689 CovalentContact SG-SG 2.04Å; C683-C689 PolarHBondContact SG-SG 2.69Å
684	N	80.8	Confident	57.8	Low	4 Å²	4	80 Å²	80	2%	0.021	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.1	177.7	168.4	-81.5	0	0	0	109.5	Y646 F657 E658 D659 F660 H686 V687 G688	Y646-N684 WeakPolarHBondContact CE2-O 3.25Å; F657-N684 PolarHBondContact O-ND2 2.82Å; E658-N684 PolarHBondContact O-ND2 2.85Å; E658-N684 VanDerWaalsContact O-ND2 3.1Å; D659-N684 PolarHBondContact O-ND2 3.17Å; F660-N684 HydrophobicContact CD1-CB 3.6Å; F660-N684 HydrophobicContact CD2-CB 4.37Å; F660-N684 HydrophobicContact CE1-CB 3.52Å; F660-N684 HydrophobicContact CE2-CB 4.3Å; F660-N684 HydrophobicContact CG-CB 4.05Å; F660-N684 HydrophobicContact CZ-CB 3.89Å; N684-H686 VanDerWaalsContact C-N 3.34Å; N684-H686 PolarHBondContact O-N 3.32Å; N684-H686 PolarHBondContact OD1-N 2.88Å; N684-V687 HydrophobicContact CB-CB 4.22Å; N684-V687 WeakPolarHBondContact OD1-CG2 3.48Å; N684-V687 PolarHBondContact OD1-N 3.33Å; N684-G688 PolarHBondContact N-O 3.12Å; N684-G688 WeakPolarHBondContact O-CA 3.11Å; N684-G688 PolarHBondContact O-N 3.38Å
685	C	74.6	Confident	58.5	Low	32 Å²	32	75.3 Å²	75.3	22%	0.216	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.2	-172	-72.7	0	0	0	0	116.2	C647 M650 F657	C647-C685 WeakPolarHBondContact CA-SG 3.46Å; C647-C685 HydrophobicContact CB-CB 4.32Å; C647-C685 WeakPolarHBondContact CB-SG 3.02Å; C647-C685 WeakPolarHBondContact SG-CA 3.46Å; C647-C685 WeakPolarHBondContact SG-CB 2.97Å; C647-C685 CovalentContact SG-SG 2.04Å; C647-C685 PolarHBondContact SG-SG 3.32Å; M650-C685 VanDerWaalsContact SD-SG 3.63Å; F657-C685 HydrophobicContact CB-CB 4.25Å; F657-C685 HydrophobicContact CD1-CB 4.01Å
686	H	76	Confident	58.7	Low	144 Å²	144	70.8 Å²	70.8	67%	0.667	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-31.5	177.1	-58.9	-74.4	0	0	0	112.1	F657 N684	F657-H686 WeakPolarHBondContact CB-NE2 3.32Å; F657-H686 PolarHBondContact O-CD2 2.9Å; N684-H686 VanDerWaalsContact C-N 3.34Å; N684-H686 PolarHBondContact O-N 3.32Å; N684-H686 PolarHBondContact OD1-N 2.88Å
687	V	69.4	Low	59	Low	112 Å²	112	70.6 Å²	70.6	68%	0.679	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-17.9	-173	-174.6	0	0	0	0	113.2	N684	N684-V687 HydrophobicContact CB-CB 4.22Å; N684-V687 WeakPolarHBondContact OD1-CG2 3.48Å; N684-V687 PolarHBondContact OD1-N 3.33Å
688	G	67.7	Low	58.6	Low	22 Å²	22	69.5 Å²	69.5	23%	0.227	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.8	-163.2	-176	0	0	0	0	0	113.3	Y646 C683 N684	Y646-G688 WeakPolarHBondContact OH-CA 3.01Å; C683-G688 WeakPolarHBondContact CA-O 3.26Å; N684-G688 PolarHBondContact N-O 3.12Å; N684-G688 WeakPolarHBondContact O-CA 3.11Å; N684-G688 PolarHBondContact O-N 3.38Å
689	C	66.8	Low	57.9	Low	59 Å²	59	72.6 Å²	72.6	40%	0.399	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.9	174.4	-65.5	0	0	0	0	112	Y646 L681 L682 C683	Y646-C689 WeakPolarHBondContact CE1-SG 3.33Å; L681-C689 HydrophobicContact CB-CB 4.34Å; L681-C689 HydrophobicContact CD1-CB 4.47Å; L681-C689 HydrophobicContact CD2-CB 4.37Å; L682-C689 CarbonylContact O-C 3.57Å; L682-C689 WeakPolarHBondContact O-CA 3.02Å; C683-C689 HydrophobicContact CB-CB 4.11Å; C683-C689 WeakPolarHBondContact CB-SG 3.4Å; C683-C689 WeakPolarHBondContact SG-CB 3.3Å; C683-C689 CovalentContact SG-SG 2.04Å; C683-C689 PolarHBondContact SG-SG 2.69Å
690	R	60.6	Low	57	Low	160 Å²	160	78.6 Å²	78.6	60%	0.604	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.3	172.3	-163.9	-175.1	-168.3	-160.4	9.9	110	L681 L682 E692	L681-R690 WeakPolarHBondContact CA-O 3.4Å; L682-R690 PolarHBondContact N-O 2.02Å; L682-R690 PolarHBondContact O-N 3.49Å; R690-E692 WeakPolarHBondContact CD-OE1 3.3Å; R690-E692 IonicContact CZ-OE1 3.35Å; R690-E692 IonicContact NE-OE1 2.69Å; R690-E692 IonicContact NH1-OE1 2.83Å; R690-E692 PolarHBondContact NH1-OE1 3.28Å; R690-E692 PolarHBondContact O-N 3.26Å
691	Y	57.3	Low	56.1	Low	143 Å²	143	83.9 Å²	83.9	56%	0.561	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.4	162.4	-71.1	-85	0	0	0	108.6	C679 L681	C679-Y691 HydrophobicContact CB-CD1 3.87Å; C679-Y691 HydrophobicContact CB-CE1 4.15Å; L681-Y691 HydrophobicContact CD2-CD1 3.65Å; L681-Y691 HydrophobicContact CD2-CD2 4.1Å; L681-Y691 HydrophobicContact CD2-CE1 3.69Å; L681-Y691 HydrophobicContact CD2-CE2 4.14Å; L681-Y691 HydrophobicContact CD2-CG 3.85Å
692	E	51.8	Low	54.5	Low	104 Å²	104	93.3 Å²	93.3	49%	0.486	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	-16.1	-179.6	-140.4	167.8	-112.6	0	0	114.9	S680 L682 R690	S680-E692 PolarHBondContact O-N 2.03Å; L682-E692 HydrophobicContact CD1-CB 3.63Å; R690-E692 WeakPolarHBondContact CD-OE1 3.3Å; R690-E692 IonicContact CZ-OE1 3.35Å; R690-E692 IonicContact NE-OE1 2.69Å; R690-E692 IonicContact NH1-OE1 2.83Å; R690-E692 PolarHBondContact NH1-OE1 3.28Å; R690-E692 PolarHBondContact O-N 3.26Å
693	M	44.4	Very low	52.7	Low	86 Å²	86	98.6 Å²	98.6	42%	0.424	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.4	166.7	-55.9	-165.1	89	0	0	110.5	C679 S680	C679-M693 CarbonylContact C-O 3.48Å; C679-M693 WeakPolarHBondContact CA-O 3.45Å; C679-M693 WeakPolarHBondContact CB-O 3.33Å; S680-M693 PolarHBondContact N-O 2.64Å
694	C	49.2	Very low	51	Low	66 Å²	66	103.3 Å²	103.3	45%	0.446	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.4	171.9	-70.9	0	0	0	0	108.8	R677 C679	R677-C694 HydrophobicContact CB-CB 4.4Å; C679-C694 HydrophobicContact CB-CB 4.09Å; C679-C694 WeakPolarHBondContact CB-SG 3.27Å; C679-C694 WeakPolarHBondContact SG-CB 3.36Å; C679-C694 CovalentContact SG-SG 2.04Å; C679-C694 PolarHBondContact SG-SG 2.99Å
695	Y	48.4	Very low	48.6	Very low	71 Å²	71	113 Å²	113	28%	0.278	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.3	132.1	-179.1	-59.1	-82.2	0	0	0	110.4	R662 N678	R662-Y695 PolarHBondContact NH2-OH 3.24Å; N678-Y695 WeakPolarHBondContact O-CD2 3.31Å; N678-Y695 PolarHBondContact O-N 3.45Å
696	G	44.6	Very low	46.6	Very low	68 Å²	68	116.9 Å²	116.9	70%	0.701	60%	0.596	S	S	*	*			trans	-84.6	114.7	171	0	0	0	0	0	110.2	E698	G696-E698 PolarHBondContact O-N 3.48Å
697	T	45.5	Very low	44.2	Very low	58 Å²	58	118.3 Å²	118.3	36%	0.356	61%	0.608	S	S	.	*			trans	-79.8	81.7	-178.8	43.6	0	0	0	0	111.3	A676 I699	A676-T697 PolarHBondContact O-OG1 2.94Å; T697-I699 VanDerWaalsContact C-N 3.34Å; T697-I699 PolarHBondContact O-N 3.36Å
698	E	41.7	Very low	42.3	Very low	155 Å²	155	117.7 Å²	117.7	72%	0.724	61%	0.608	S	S	*	*			trans	-66.4	92.8	164.9	-83.6	-161.2	174.6	0	0	110.2	G696 K700	G696-E698 PolarHBondContact O-N 3.48Å; E698-K700 VanDerWaalsContact C-N 3.32Å; E698-K700 PolarHBondContact O-N 3.07Å; E698-K700 WeakPolarHBondContact OE2-CE 3.39Å; E698-K700 IonicContact OE2-NZ 3.59Å
699	I	36.4	Very low	40.5	Very low	141 Å²	141	123.4 Å²	123.4	72%	0.723	63%	0.633	S	S	*	*			trans	-68.5	90.9	172.8	-52.2	178.2	0	0	0	108.7	T697 I701	T697-I699 VanDerWaalsContact C-N 3.34Å; T697-I699 PolarHBondContact O-N 3.36Å; I699-I701 VanDerWaalsContact C-N 3.28Å; I699-I701 HydrophobicContact CG2-CG1 3.82Å; I699-I701 PolarHBondContact O-N 3.23Å
700	K	34.6	Very low	38.9	Very low	144 Å²	144	132.1 Å²	132.1	63%	0.626	66%	0.658	S	S	*	*			trans	-71.6	85.8	170	-77.6	178.5	179.1	164.3	0	110	E698 W702	E698-K700 VanDerWaalsContact C-N 3.32Å; E698-K700 PolarHBondContact O-N 3.07Å; E698-K700 WeakPolarHBondContact OE2-CE 3.39Å; E698-K700 IonicContact OE2-NZ 3.59Å; K700-W702 PolarHBondContact O-N 3.43Å
701	I	33.1	Very low	37.6	Very low	120 Å²	120	130.2 Å²	130.2	62%	0.615	66%	0.664	S	S	*	*			trans	-67.4	96.1	170.9	-51.6	176.5	0	0	0	108.3	I699 H703	I699-I701 VanDerWaalsContact C-N 3.28Å; I699-I701 HydrophobicContact CG2-CG1 3.82Å; I699-I701 PolarHBondContact O-N 3.23Å; I701-H703 VanDerWaalsContact C-N 3.25Å; I701-H703 VanDerWaalsContact CG2-CD2 3.45Å; I701-H703 WeakPolarHBondContact CG2-CD2 3.47Å; I701-H703 PolarHBondContact O-N 2.86Å
702	W	29.6	Very low	36.4	Very low	230 Å²	230	127.9 Å²	127.9	87%	0.871	67%	0.669	S	S	*	*			trans	-72.1	80.3	171.5	-67.2	95.8	0	0	0	110.1	K700 A704	K700-W702 PolarHBondContact O-N 3.43Å; W702-A704 PolarHBondContact O-N 2.93Å
703	H	29.7	Very low	35.7	Very low	151 Å²	151	131.4 Å²	131.4	70%	0.699	69%	0.685	S	S	*	*			trans	-63.1	120.3	171.9	-89.7	-78.7	0	0	0	110.5	I701 Y705	I701-H703 VanDerWaalsContact C-N 3.25Å; I701-H703 VanDerWaalsContact CG2-CD2 3.45Å; I701-H703 WeakPolarHBondContact CG2-CD2 3.47Å; I701-H703 PolarHBondContact O-N 2.86Å; H703-Y705 VanDerWaalsContact C-N 3.3Å; H703-Y705 PolarHBondContact O-N 2.84Å
704	A	28.4	Very low	35.2	Very low	99 Å²	99	134.6 Å²	134.6	82%	0.818	70%	0.702	S	S	*	*			trans	-77.2	74.6	177.7	0	0	0	0	0	111.8	W702	W702-A704 PolarHBondContact O-N 2.93Å
705	Y	30.4	Very low	34.5	Very low	209 Å²	209	137.7 Å²	137.7	82%	0.82	72%	0.719	S	S	*	*			trans	-139.5	161.7	172	-95.2	-83.7	0	0	0	112.1	H703	H703-Y705 VanDerWaalsContact C-N 3.3Å; H703-Y705 PolarHBondContact O-N 2.84Å
706	S	32.5	Very low	33.7	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	74%	0.739	S	S	*	*			trans	63	69.4	-177.1	59.5	0	0	0	0	116.9
707	L	27.3	Very low	33.2	Very low	174 Å²	174	146.1 Å²	146.1	91%	0.911	75%	0.748	S	S	*	*				-55.2	159	129.7	-87.1	157.3	0	0	0	110
708	S	29.6	Very low	32.6	Very low	98 Å²	98	148.7 Å²	148.7	69%	0.685	77%	0.766	S	S	*	*	S	Bend	trans	74.1	111.5	171.4	-178.1	0	0	0	0	118.1
709	N	29.1	Very low	32.4	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	77%	0.774	S	S	*	*			trans	33.3	113.2	136.3	-63.5	-39.3	0	0	0	119
710	R	33.6	Very low	32	Very low	241 Å²	241	151.4 Å²	151.4	91%	0.909	78%	0.777	S	S	*	*				-166.5	155.5	90.8	-106.1	169.9	-178.6	174.4	0.2	114.7
711	T	33	Very low	32	Very low	120 Å²	120	152.9 Å²	152.9	74%	0.736	79%	0.789	S	S	*	*			trans	-62.1	142.2	168.6	46.2	0	0	0	0	112.4
712	S	30.8	Very low	31.8	Very low	95 Å²	95	153.1 Å²	153.1	66%	0.664	79%	0.788	S	S	*	*			trans	49.2	109.8	146.1	65	0	0	0	0	119.2
713	Q	37.8	Very low	31.7	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	78%	0.784	S	S	*	*				-177.1	132	99.2	-96	167.8	6.9	0	0	113.9
714	I	34.2	Very low	31.6	Very low	152 Å²	152	148.5 Å²	148.5	78%	0.779	79%	0.789	S	S	*	*			trans	6.7	114.6	150.2	-50.8	165.5	0	0	0	117.5
715	V	35	Very low	31.5	Very low	131 Å²	131	149.8 Å²	149.8	79%	0.794	78%	0.782	S	S	*	*			trans	-138.1	134.2	143.5	-178.6	0	0	0	0	108.2
716	T	31.5	Very low	31.5	Very low	114 Å²	114	147.3 Å²	147.3	70%	0.699	78%	0.781	S	S	*	*			trans	-131.3	130	-179.9	51.4	0	0	0	0	111.2
717	F	32.7	Very low	31.2	Very low	203 Å²	203	152.1 Å²	152.1	89%	0.89	78%	0.783	S	S	*	*			trans	-139.8	136.2	160.3	-86	-74.9	0	0	0	110.5
718	P	32.9	Very low	31.3	Very low	112 Å²	112	152.1 Å²	152.1	73%	0.727	78%	0.779	S	S	*	*			trans	-118.7	144.1	-171.3	39.3	-29.1	0	0	0	115.4
719	T	38	Very low	31.4	Very low	145 Å²	145	152.6 Å²	152.6	89%	0.89	78%	0.78	S	S	*	*			trans	-153.5	85.7	156.3	22.9	0	0	0	0	113.6
720	R	29.1	Very low	32.1	Very low	208 Å²	208	153.4 Å²	153.4	79%	0.785	78%	0.784	S	S	*	*			trans	-3.4	116.5	147.1	-171.4	-170	-150.7	167.6	5.5	118.3	Q722	R720-Q722 HydrophobicContact CG-CG 3.97Å
721	I	33.1	Very low	32.9	Very low	174 Å²	174	147.1 Å²	147.1	89%	0.892	77%	0.767	S	S	*	*			trans	-121.6	151.6	141	-65.9	-178.1	0	0	0	107.2
722	Q	30.1	Very low	34.4	Very low	126 Å²	126	142.3 Å²	142.3	59%	0.589	74%	0.739	S	S	*	*			trans	-116.5	148.2	-162.9	-65.1	173.9	-109.3	0	0	114	R720	R720-Q722 HydrophobicContact CG-CG 3.97Å
723	T	26.8	Very low	36	Very low	128 Å²	128	140.7 Å²	140.7	79%	0.785	72%	0.723	S	S	*	*			trans	65.1	150.6	161.2	44.4	0	0	0	0	116.1
724	I	28.7	Very low	37.5	Very low	156 Å²	156	132.2 Å²	132.2	80%	0.8	68%	0.683	S	S	*	*			cis	-122.9	144.8	28.6	-66.7	165.4	0	0	0	112.6
725	N	25.7	Very low	39.5	Very low	125 Å²	125	125.3 Å²	125.3	67%	0.668	65%	0.648	S	S	*	*			trans	-82.3	136.5	170.3	-68.1	-38.5	0	0	0	111.3
726	I	30.4	Very low	41.1	Very low	157 Å²	157	122.5 Å²	122.5	81%	0.805	63%	0.628	S	S	*	*			trans	-128.4	91.5	146.1	-57.8	-177.4	0	0	0	107.8	Q728	I726-Q728 PolarHBondContact O-N 2.68Å
727	Y	25.2	Very low	42.9	Very low	214 Å²	214	118.7 Å²	118.7	84%	0.839	60%	0.601	S	S	*	*			trans	-82	106	166	-101.8	-97.2	0	0	0	108.6
728	Q	30.9	Very low	44.9	Very low	175 Å²	175	109 Å²	109	82%	0.818	56%	0.559	S	S	*	*			trans	-137.9	143.7	151.7	-96.5	-178.1	-18.2	0	0	108.6	I726	I726-Q728 PolarHBondContact O-N 2.68Å
729	P	30.7	Very low	47	Very low	108 Å²	108	105.5 Å²	105.5	70%	0.701	54%	0.536	S	S	*	.			trans	-79.9	129.9	-156.7	29.8	-35.6	0	0	0	113.5	L731	P729-L731 VanDerWaalsContact C-N 3.34Å; P729-L731 PolarHBondContact O-N 2.81Å
730	N	44.4	Very low	48.6	Very low	160 Å²	160	104.9 Å²	104.9	86%	0.856	52%	0.521	S	S	*	.			trans	35.3	52.3	158.4	-64.3	4.9	0	0	0	116.6
731	L	50.5	Low	50.6	Low	108 Å²	108	98 Å²	98	57%	0.565	50%	0.497	S	S	*	.			trans	-88.7	123.8	161.4	-117.5	73	0	0	0	108.8	P729 C735	P729-L731 VanDerWaalsContact C-N 3.34Å; P729-L731 PolarHBondContact O-N 2.81Å; L731-C735 HydrophobicContact CB-CB 4.41Å; L731-C735 HydrophobicContact CD2-CB 3.87Å; L731-C735 HydrophobicContact CG-CB 3.76Å
732	S	63.2	Low	52.3	Low	19 Å²	19	90.8 Å²	90.8	13%	0.133	46%	0.46	C	S	.	.			trans	-59.2	156.5	168.9	53.3	0	0	0	0	112.6	G734 C735 L736 D751	S732-G734 PolarHBondContact O-N 3.4Å; S732-C735 WeakPolarHBondContact O-CA 3.47Å; S732-C735 WeakPolarHBondContact O-CB 3.43Å; S732-C735 PolarHBondContact O-N 3.2Å; S732-L736 PolarHBondContact O-N 3.16Å; S732-D751 WeakPolarHBondContact CA-OD1 3.27Å; S732-D751 WeakPolarHBondContact CB-OD1 3.4Å; S732-D751 PolarHBondContact N-OD1 2.91Å; S732-D751 VanDerWaalsContact OG-CB 3.28Å; S732-D751 WeakPolarHBondContact OG-CB 3.39Å; S732-D751 PolarHBondContact OG-OD1 3.32Å
733	L	65.6	Low	54.4	Low	62 Å²	62	94.9 Å²	94.9	33%	0.325	47%	0.47	S	S	.	.	H	α-helix	trans	-52.2	-36.9	172.8	-56.7	163.2	0	0	0	112.2	L736 Y737 E795 Y799	L733-L736 PolarHBondContact O-N 2.79Å; L733-Y737 HydrophobicContact CB-CD2 4.19Å; L733-Y737 HydrophobicContact CB-CE2 4.25Å; L733-Y737 HydrophobicContact CD2-CE2 4.05Å; L733-Y737 WeakPolarHBondContact O-CB 3.24Å; L733-Y737 WeakPolarHBondContact O-CD2 3.34Å; L733-Y737 PolarHBondContact O-N 2.97Å; L733-E795 VanDerWaalsContact CD1-CD 3.49Å; L733-E795 HydrophobicContact CD1-CG 4.33Å; L733-E795 WeakPolarHBondContact CD1-OE1 3.07Å; L733-E795 VanDerWaalsContact CD2-OE2 3.28Å; L733-E795 WeakPolarHBondContact CD2-OE2 3.33Å; L733-Y799 HydrophobicContact CB-CE2 3.72Å
734	G	69.3	Low	56.8	Low	0 Å²	0	92.9 Å²	92.9	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-62	-46.7	174.7	0	0	0	0	0	112.4	S732 L736 Y737 L738 Y799	S732-G734 PolarHBondContact O-N 3.4Å; G734-L736 VanDerWaalsContact C-N 3.32Å; G734-L736 PolarHBondContact O-N 3.3Å; G734-Y737 PolarHBondContact O-N 2.83Å; G734-L738 WeakPolarHBondContact O-CB 3.43Å; G734-L738 PolarHBondContact O-N 3.43Å; G734-Y799 VanDerWaalsContact CA-CE1 3.44Å; G734-Y799 VanDerWaalsContact CA-CZ 3.47Å; G734-Y799 PolarHBondContact N-OH 2.99Å
735	C	76.3	Confident	59.3	Low	7 Å²	7	85.6 Å²	85.6	5%	0.047	42%	0.415	C	S	.	.	H	α-helix	trans	-63.7	-32.5	172.6	-89.8	0	0	0	0	113.8	L731 S732 P739 C747 V753	L731-C735 HydrophobicContact CB-CB 4.41Å; L731-C735 HydrophobicContact CD2-CB 3.87Å; L731-C735 HydrophobicContact CG-CB 3.76Å; S732-C735 WeakPolarHBondContact O-CA 3.47Å; S732-C735 WeakPolarHBondContact O-CB 3.43Å; S732-C735 PolarHBondContact O-N 3.2Å; C735-P739 WeakPolarHBondContact O-CD 3.28Å; C735-C747 HydrophobicContact CB-CB 3.65Å; C735-C747 WeakPolarHBondContact CB-SG 3.36Å; C735-C747 WeakPolarHBondContact SG-CB 3.3Å; C735-C747 CovalentContact SG-SG 2.03Å; C735-C747 PolarHBondContact SG-SG 3.44Å; C735-V753 HydrophobicContact CB-CG2 4.42Å
736	L	67.3	Low	62.1	Low	72 Å²	72	83 Å²	83	38%	0.377	40%	0.403	S	S	.	.	H	α-helix	trans	-72.1	-29.5	177.4	-178.8	61.2	0	0	0	113.2	S732 L733 G734 K740	S732-L736 PolarHBondContact O-N 3.16Å; L733-L736 PolarHBondContact O-N 2.79Å; G734-L736 VanDerWaalsContact C-N 3.32Å; G734-L736 PolarHBondContact O-N 3.3Å; L736-K740 WeakPolarHBondContact O-CD 3.48Å; L736-K740 WeakPolarHBondContact O-CE 3.48Å
737	Y	70	Confident	64.6	Low	34 Å²	34	77.7 Å²	77.7	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-117.5	-41.9	-166.6	-62.3	-48.8	0	0	0	115.1	L733 G734 K740 F741 E795 Y796 Y799	L733-Y737 HydrophobicContact CB-CD2 4.19Å; L733-Y737 HydrophobicContact CB-CE2 4.25Å; L733-Y737 HydrophobicContact CD2-CE2 4.05Å; L733-Y737 WeakPolarHBondContact O-CB 3.24Å; L733-Y737 WeakPolarHBondContact O-CD2 3.34Å; L733-Y737 PolarHBondContact O-N 2.97Å; G734-Y737 PolarHBondContact O-N 2.83Å; Y737-K740 WeakPolarHBondContact O-CA 3.42Å; Y737-K740 WeakPolarHBondContact O-CB 3.36Å; Y737-K740 PolarHBondContact O-N 2.97Å; Y737-F741 VanDerWaalsContact O-CD2 3.31Å; Y737-F741 WeakPolarHBondContact O-CD2 3.27Å; Y737-F741 PolarHBondContact O-N 2.88Å; Y737-E795 HydrophobicContact CD2-CB 4.47Å; Y737-E795 HydrophobicContact CE2-CB 3.78Å; Y737-Y796 AromaticContact CD1-CD2 3.55Å; Y737-Y796 HydrophobicContact CD1-CD2 3.55Å; Y737-Y796 HydrophobicContact CD1-CE2 4.46Å; Y737-Y796 HydrophobicContact CD1-CG 4.35Å; Y737-Y796 HydrophobicContact CE1-CD2 4.01Å; Y737-Y796 HydrophobicContact CE1-CG 4.47Å; Y737-Y796 HydrophobicContact CG-CD2 4.14Å; Y737-Y799 AromaticContact CD2-CD2 3.54Å; Y737-Y799 HydrophobicContact CD2-CD2 3.54Å; Y737-Y799 AromaticContact CD2-CE2 3.86Å; Y737-Y799 HydrophobicContact CD2-CE2 3.86Å; Y737-Y799 HydrophobicContact CG-CD2 4.05Å
738	L	74.7	Confident	67.2	Low	0 Å²	0	74 Å²	74	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-43.5	-177.9	-73.6	167.4	0	0	0	113.6	G734 K740 F741 N742 V753 Y799 I802 V803 Y829	G734-L738 WeakPolarHBondContact O-CB 3.43Å; G734-L738 PolarHBondContact O-N 3.43Å; L738-K740 PolarHBondContact O-N 3.32Å; L738-K740 VanDerWaalsContact O-N 3.12Å; L738-F741 PolarHBondContact O-N 2.81Å; L738-F741 VanDerWaalsContact O-N 3.15Å; L738-N742 PolarHBondContact O-N 2.8Å; L738-V753 HydrophobicContact CB-CG1 3.98Å; L738-V753 HydrophobicContact CB-CG2 4.46Å; L738-V753 HydrophobicContact CD1-CB 4.2Å; L738-V753 HydrophobicContact CD1-CG1 4.3Å; L738-V753 HydrophobicContact CD1-CG2 4.19Å; L738-Y799 HydrophobicContact CD1-CD1 3.88Å; L738-Y799 HydrophobicContact CD1-CE1 4.34Å; L738-Y799 HydrophobicContact CD2-CD1 3.94Å; L738-Y799 HydrophobicContact CD2-CG 4.36Å; L738-Y799 HydrophobicContact CG-CD1 3.61Å; L738-Y799 HydrophobicContact CG-CE1 4.47Å; L738-Y799 HydrophobicContact CG-CG 4.12Å; L738-I802 HydrophobicContact CD2-CB 4.38Å; L738-I802 HydrophobicContact CD2-CG2 3.8Å; L738-V803 HydrophobicContact CD2-CG2 3.99Å; L738-Y829 VanDerWaalsContact CD1-CB 3.5Å; L738-Y829 HydrophobicContact CD1-CD1 3.54Å; L738-Y829 HydrophobicContact CD1-CD2 4.39Å; L738-Y829 HydrophobicContact CD1-CE1 4.33Å; L738-Y829 HydrophobicContact CD1-CG 3.56Å
739	P	76.9	Confident	68.7	Low	38 Å²	38	69.7 Å²	69.7	25%	0.247	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-19.1	172.2	-27.5	38.1	0	0	0	115.1	C735 C745	C735-P739 WeakPolarHBondContact O-CD 3.28Å; P739-C745 WeakPolarHBondContact CA-O 3.36Å; P739-C745 VanDerWaalsContact CB-O 3.27Å; P739-C745 WeakPolarHBondContact CB-O 3Å
740	K	72	Confident	70.4	Confident	131 Å²	131	71.4 Å²	71.4	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-85.8	-29.7	177.1	-60	-175.4	178.5	178.4	0	112.8	L736 Y737 L738	L736-K740 WeakPolarHBondContact O-CD 3.48Å; L736-K740 WeakPolarHBondContact O-CE 3.48Å; Y737-K740 WeakPolarHBondContact O-CA 3.42Å; Y737-K740 WeakPolarHBondContact O-CB 3.36Å; Y737-K740 PolarHBondContact O-N 2.97Å; L738-K740 PolarHBondContact O-N 3.32Å; L738-K740 VanDerWaalsContact O-N 3.12Å
741	F	70	Confident	71.4	Confident	65 Å²	65	66.2 Å²	66.2	29%	0.285	34%	0.335	S	S	.	.	H	α-helix	trans	-84	-39.1	175.2	-73.8	-74.9	0	0	0	112.7	Y737 L738 Y796 G800 V803	Y737-F741 VanDerWaalsContact O-CD2 3.31Å; Y737-F741 WeakPolarHBondContact O-CD2 3.27Å; Y737-F741 PolarHBondContact O-N 2.88Å; L738-F741 PolarHBondContact O-N 2.81Å; L738-F741 VanDerWaalsContact O-N 3.15Å; F741-Y796 HydrophobicContact CD2-CD2 4.42Å; F741-Y796 HydrophobicContact CD2-CE2 4.1Å; F741-Y796 HydrophobicContact CE1-CD1 4.47Å; F741-Y796 AromaticContact CE1-CE1 3.84Å; F741-Y796 HydrophobicContact CE1-CE1 3.84Å; F741-Y796 AromaticContact CE1-CE2 3.95Å; F741-Y796 HydrophobicContact CE1-CE2 3.95Å; F741-Y796 AromaticContact CE1-CZ 3.55Å; F741-Y796 HydrophobicContact CE2-CD1 4.35Å; F741-Y796 AromaticContact CE2-CD2 3.37Å; F741-Y796 HydrophobicContact CE2-CD2 3.37Å; F741-Y796 HydrophobicContact CE2-CE1 4.3Å; F741-Y796 AromaticContact CE2-CE2 3.31Å; F741-Y796 HydrophobicContact CE2-CE2 3.31Å; F741-Y796 AromaticContact CE2-CG 3.92Å; F741-Y796 HydrophobicContact CE2-CG 3.92Å; F741-Y796 AromaticContact CE2-CZ 3.81Å; F741-Y796 WeakPolarHBondContact CE2-O 3.29Å; F741-Y796 AromaticContact CZ-CD1 3.64Å; F741-Y796 HydrophobicContact CZ-CD1 3.64Å; F741-Y796 AromaticContact CZ-CD2 3.47Å; F741-Y796 HydrophobicContact CZ-CD2 3.47Å; F741-Y796 VanDerWaalsContact CZ-CD2 3.47Å; F741-Y796 AromaticContact CZ-CE1 3.4Å; F741-Y796 HydrophobicContact CZ-CE1 3.4Å; F741-Y796 VanDerWaalsContact CZ-CE1 3.4Å; F741-Y796 AromaticContact CZ-CE2 3.24Å; F741-Y796 HydrophobicContact CZ-CE2 3.24Å; F741-Y796 AromaticContact CZ-CG 3.67Å; F741-Y796 HydrophobicContact CZ-CG 3.67Å; F741-Y796 AromaticContact CZ-CZ 3.2Å; F741-Y796 WeakPolarHBondContact CZ-O 3.07Å; F741-G800 VanDerWaalsContact CE1-CA 3.46Å; F741-G800 VanDerWaalsContact CE2-N 3.28Å; F741-G800 VanDerWaalsContact CZ-CA 3.45Å; F741-V803 HydrophobicContact CB-CB 4.48Å; F741-V803 HydrophobicContact CB-CG2 3.87Å
742	N	70.3	Confident	72.7	Confident	22 Å²	22	64.1 Å²	64.1	12%	0.118	32%	0.322	C	S	.	.			trans	-125.5	108	-179.6	-179	-16.3	0	0	0	109.1	L738 H744 C745 V803	L738-N742 PolarHBondContact O-N 2.8Å; N742-H744 PolarHBondContact O-N 2.86Å; N742-H744 VanDerWaalsContact O-N 3.08Å; N742-H744 VanDerWaalsContact OD1-CB 3.31Å; N742-H744 WeakPolarHBondContact OD1-CB 3.01Å; N742-H744 PolarHBondContact OD1-CD2 3.33Å; N742-H744 VanDerWaalsContact OD1-CD2 3.23Å; N742-H744 PolarHBondContact OD1-N 3.45Å; N742-C745 HydrophobicContact CB-CB 4.45Å; N742-C745 VanDerWaalsContact CG-SG 3.6Å; N742-C745 WeakPolarHBondContact O-CB 3Å; N742-C745 PolarHBondContact O-N 2.86Å; N742-V803 HydrophobicContact CB-CG1 4.42Å; N742-V803 HydrophobicContact CB-CG2 4.28Å
743	R	74.1	Confident	73.6	Confident	211 Å²	211	63.2 Å²	63.2	80%	0.796	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.8	-178.1	-63.7	-176.1	-175.1	170.6	4.6	113.6	D659	D659-R743 IonicContact OD1-NH2 2.68Å
744	H	76.6	Confident	74.6	Confident	86 Å²	86	63.1 Å²	63.1	40%	0.398	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.8	172.9	-52.4	-65.9	0	0	0	112.7	N742 C755 N756 S759	N742-H744 PolarHBondContact O-N 2.86Å; N742-H744 VanDerWaalsContact O-N 3.08Å; N742-H744 VanDerWaalsContact OD1-CB 3.31Å; N742-H744 WeakPolarHBondContact OD1-CB 3.01Å; N742-H744 PolarHBondContact OD1-CD2 3.33Å; N742-H744 VanDerWaalsContact OD1-CD2 3.23Å; N742-H744 PolarHBondContact OD1-N 3.45Å; H744-C755 WeakPolarHBondContact O-CA 3.47Å; H744-N756 PolarHBondContact O-N 2.92Å; H744-S759 PolarHBondContact CE1-OG 3.09Å; H744-S759 VanDerWaalsContact CE1-OG 3.28Å; H744-S759 WeakPolarHBondContact ND1-CB 3.35Å; H744-S759 PolarHBondContact ND1-OG 2.89Å
745	C	81.3	Confident	75.2	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.2	-179.7	-62.2	0	0	0	0	112.2	P739 N742 V753 V754 C755	P739-C745 WeakPolarHBondContact CA-O 3.36Å; P739-C745 VanDerWaalsContact CB-O 3.27Å; P739-C745 WeakPolarHBondContact CB-O 3Å; N742-C745 HydrophobicContact CB-CB 4.45Å; N742-C745 VanDerWaalsContact CG-SG 3.6Å; N742-C745 WeakPolarHBondContact O-CB 3Å; N742-C745 PolarHBondContact O-N 2.86Å; C745-V753 HydrophobicContact CB-CG1 3.72Å; C745-V754 WeakPolarHBondContact CA-O 3.45Å; C745-C755 HydrophobicContact CB-CB 4.11Å; C745-C755 WeakPolarHBondContact CB-SG 3.01Å; C745-C755 WeakPolarHBondContact SG-CB 3.49Å; C745-C755 CovalentContact SG-SG 2.04Å; C745-C755 PolarHBondContact SG-SG 3.49Å
746	T	84.2	Confident	75.1	Confident	70 Å²	70	67.1 Å²	67.1	43%	0.429	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.9	175.8	33.9	0	0	0	0	110.2	Y748 V753 V754	T746-Y748 WeakPolarHBondContact OG1-CE2 3.47Å; T746-V753 WeakPolarHBondContact O-CA 3.48Å; T746-V754 PolarHBondContact N-O 3.02Å; T746-V754 PolarHBondContact O-N 3.48Å; T746-V754 PolarHBondContact OG1-O 3.45Å
747	C	82.5	Confident	75.1	Confident	46 Å²	46	64.3 Å²	64.3	31%	0.311	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.4	171	176.4	0	0	0	0	110.1	C735	C735-C747 HydrophobicContact CB-CB 3.65Å; C735-C747 WeakPolarHBondContact CB-SG 3.36Å; C735-C747 WeakPolarHBondContact SG-CB 3.3Å; C735-C747 CovalentContact SG-SG 2.03Å; C735-C747 PolarHBondContact SG-SG 3.44Å
748	Y	79.5	Confident	74.6	Confident	136 Å²	136	70.9 Å²	70.9	53%	0.533	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	164.1	168.9	-71.3	-103.1	0	0	0	109.5	T746 H752 V754	T746-Y748 WeakPolarHBondContact OG1-CE2 3.47Å; Y748-H752 PolarHBondContact N-O 2.03Å; Y748-V754 HydrophobicContact CD2-CB 4.01Å; Y748-V754 HydrophobicContact CD2-CG2 3.83Å; Y748-V754 HydrophobicContact CE2-CB 3.75Å; Y748-V754 HydrophobicContact CE2-CG2 4Å
749	A	64.1	Low	73.6	Confident	85 Å²	85	73.8 Å²	73.8	70%	0.702	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	151.7	171.7	0	0	0	0	0	111.2
750	N	65.6	Low	72.4	Confident	143 Å²	143	75.8 Å²	75.8	77%	0.765	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	35.7	-177.3	-45.5	-23.2	0	0	0	115	H752	N750-H752 PolarHBondContact O-CD2 2.87Å; N750-H752 PolarHBondContact O-N 3.15Å
751	D	65.2	Low	71.3	Confident	52 Å²	52	78.5 Å²	78.5	28%	0.278	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	28.9	170.6	-65.9	-30.7	0	0	0	115.5	S732	S732-D751 WeakPolarHBondContact CA-OD1 3.27Å; S732-D751 WeakPolarHBondContact CB-OD1 3.4Å; S732-D751 PolarHBondContact N-OD1 2.91Å; S732-D751 VanDerWaalsContact OG-CB 3.28Å; S732-D751 WeakPolarHBondContact OG-CB 3.39Å; S732-D751 PolarHBondContact OG-OD1 3.32Å
752	H	77.3	Confident	70.4	Confident	63 Å²	63	82.9 Å²	82.9	29%	0.292	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.5	175.2	-76.2	-153.1	0	0	0	109.4	Y748 N750 Q830	Y748-H752 PolarHBondContact N-O 2.03Å; N750-H752 PolarHBondContact O-CD2 2.87Å; N750-H752 PolarHBondContact O-N 3.15Å; H752-Q830 HydrophobicContact CB-CG 4.5Å
753	V	83.8	Confident	69.9	Low	0 Å²	0	85.8 Å²	85.8	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.8	170.4	-179.4	0	0	0	0	108.1	C735 L738 C745 T746 A828 Y829	C735-V753 HydrophobicContact CB-CG2 4.42Å; L738-V753 HydrophobicContact CB-CG1 3.98Å; L738-V753 HydrophobicContact CB-CG2 4.46Å; L738-V753 HydrophobicContact CD1-CB 4.2Å; L738-V753 HydrophobicContact CD1-CG1 4.3Å; L738-V753 HydrophobicContact CD1-CG2 4.19Å; C745-V753 HydrophobicContact CB-CG1 3.72Å; T746-V753 WeakPolarHBondContact O-CA 3.48Å; V753-A828 CarbonylContact O-C 3.56Å; V753-A828 VanDerWaalsContact O-CA 3.24Å; V753-A828 WeakPolarHBondContact O-CA 3.29Å; V753-Y829 PolarHBondContact N-O 2.63Å; V753-Y829 PolarHBondContact O-N 3.05Å
754	V	85	Confident	69.4	Low	60 Å²	60	79 Å²	79	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.3	178.2	-175.8	0	0	0	0	108.7	C745 T746 Y748	C745-V754 WeakPolarHBondContact CA-O 3.45Å; T746-V754 PolarHBondContact N-O 3.02Å; T746-V754 PolarHBondContact O-N 3.48Å; T746-V754 PolarHBondContact OG1-O 3.45Å; Y748-V754 HydrophobicContact CD2-CB 4.01Å; Y748-V754 HydrophobicContact CD2-CG2 3.83Å; Y748-V754 HydrophobicContact CE2-CB 3.75Å; Y748-V754 HydrophobicContact CE2-CG2 4Å
755	C	82.3	Confident	69	Low	5 Å²	5	80.9 Å²	80.9	3%	0.034	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.3	-172.9	-55.2	0	0	0	0	110.2	H744 C745 V757 L826 S827	H744-C755 WeakPolarHBondContact O-CA 3.47Å; C745-C755 HydrophobicContact CB-CB 4.11Å; C745-C755 WeakPolarHBondContact CB-SG 3.01Å; C745-C755 WeakPolarHBondContact SG-CB 3.49Å; C745-C755 CovalentContact SG-SG 2.04Å; C745-C755 PolarHBondContact SG-SG 3.49Å; C755-V757 PolarHBondContact O-N 3.11Å; C755-L826 WeakPolarHBondContact CB-O 3.38Å; C755-S827 PolarHBondContact N-O 3.14Å
756	N	75.3	Confident	68.4	Low	86 Å²	86	82.5 Å²	82.5	46%	0.46	43%	0.426	S	S	.	.			trans	-76.7	95.2	-172.2	-175.7	7.7	0	0	0	111.7	H744 F758	H744-N756 PolarHBondContact O-N 2.92Å; N756-F758 PolarHBondContact O-N 2.74Å; N756-F758 PolarHBondContact OD1-N 3.25Å; N756-F758 VanDerWaalsContact OD1-N 3.1Å
757	V	67.2	Low	67.7	Low	14 Å²	14	80.6 Å²	80.6	9%	0.085	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22	178.5	-175.2	0	0	0	0	112.8	C755 S759 V766 I825 L858	C755-V757 PolarHBondContact O-N 3.11Å; V757-S759 PolarHBondContact O-N 2.95Å; V757-S759 VanDerWaalsContact O-N 3.13Å; V757-V766 HydrophobicContact CG1-CG2 3.63Å; V757-I825 HydrophobicContact CB-CG2 4.44Å; V757-I825 HydrophobicContact CG1-CB 4.17Å; V757-I825 HydrophobicContact CG1-CD1 3.84Å; V757-I825 HydrophobicContact CG1-CG2 4.07Å; V757-I825 HydrophobicContact CG2-CB 4.49Å; V757-I825 HydrophobicContact CG2-CG2 4Å; V757-L858 HydrophobicContact CG2-CD1 4.04Å
758	F	59.6	Low	67.2	Low	171 Å²	171	81.1 Å²	81.1	75%	0.75	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-82.1	15.9	-173	-58.7	-79	0	0	0	114.9	N756	N756-F758 PolarHBondContact O-N 2.74Å; N756-F758 PolarHBondContact OD1-N 3.25Å; N756-F758 VanDerWaalsContact OD1-N 3.1Å
759	S	52.9	Low	67.2	Low	62 Å²	62	80.1 Å²	80.1	43%	0.434	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-89.1	-11.8	-177	-166.7	0	0	0	0	114.9	H744 V757 K761	H744-S759 PolarHBondContact CE1-OG 3.09Å; H744-S759 VanDerWaalsContact CE1-OG 3.28Å; H744-S759 WeakPolarHBondContact ND1-CB 3.35Å; H744-S759 PolarHBondContact ND1-OG 2.89Å; V757-S759 PolarHBondContact O-N 2.95Å; V757-S759 VanDerWaalsContact O-N 3.13Å; S759-K761 PolarHBondContact O-N 3.21Å
760	L	51.5	Low	68.1	Low	79 Å²	79	81.4 Å²	81.4	41%	0.414	41%	0.413	S	S	.	.	S	Bend	trans	-86.8	101.3	178.5	-77.1	160.7	0	0	0	109.9	N762 Y764 I825	L760-N762 PolarHBondContact O-N 2.96Å; L760-Y764 HydrophobicContact CD1-CD2 4.37Å; L760-I825 HydrophobicContact CD1-CD1 4.1Å
761	K	49.2	Very low	69	Low	188 Å²	188	77.8 Å²	77.8	82%	0.817	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	121.3	-178.5	-74.2	-178.9	175	178.3	0	111.5	S759 Q763	S759-K761 PolarHBondContact O-N 3.21Å; K761-Q763 PolarHBondContact O-N 3Å
762	N	50.3	Low	69.9	Low	157 Å²	157	79.3 Å²	79.3	84%	0.84	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-18.7	166.5	-63.8	9.7	0	0	0	119.6	L760	L760-N762 PolarHBondContact O-N 2.96Å
763	Q	59.8	Low	70.1	Confident	84 Å²	84	78.3 Å²	78.3	39%	0.393	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-32.2	-170.5	-68.2	-168.9	-63.7	0	0	115	K761 N862 L863 D864	K761-Q763 PolarHBondContact O-N 3Å; Q763-N862 CarbonylContact O-C 3.58Å; Q763-N862 VanDerWaalsContact O-CA 3.29Å; Q763-N862 WeakPolarHBondContact O-CA 3.43Å; Q763-N862 PolarHBondContact O-OD1 2.04Å; Q763-L863 PolarHBondContact O-N 2.99Å; Q763-D864 PolarHBondContact NE2-OD2 3.2Å
764	Y	63.9	Low	69.9	Low	67 Å²	67	81.7 Å²	81.7	26%	0.263	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.9	-169.4	-65.1	-96.2	0	0	0	114.2	L760 R823 A860 I861 N862	L760-Y764 HydrophobicContact CD1-CD2 4.37Å; Y764-R823 HydrophobicContact CE1-CB 4.36Å; Y764-A860 HydrophobicContact CD1-CB 4.43Å; Y764-I861 CarbonylContact C-O 3.52Å; Y764-I861 WeakPolarHBondContact CA-O 3.42Å; Y764-N862 HydrophobicContact CD1-CB 4.02Å; Y764-N862 HydrophobicContact CE1-CB 3.73Å
765	F	68.3	Low	69.2	Low	126 Å²	126	79.6 Å²	79.6	55%	0.553	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.7	169.1	179.1	-99.1	0	0	0	110.9	T767 A860 I861 L863	F765-T767 HydrophobicContact CD1-CG2 4.41Å; F765-T767 PolarHBondContact O-N 3.18Å; F765-A860 CarbonylContact O-C 3.55Å; F765-A860 WeakPolarHBondContact O-CA 3.4Å; F765-I861 PolarHBondContact N-O 3.21Å; F765-I861 PolarHBondContact O-N 3.26Å; F765-L863 HydrophobicContact CB-CD1 4.15Å; F765-L863 HydrophobicContact CB-CD2 4.23Å; F765-L863 HydrophobicContact CB-CG 4.12Å
766	V	69.6	Low	68.6	Low	38 Å²	38	80.2 Å²	80.2	23%	0.23	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.4	175.2	-179.1	0	0	0	0	109.6	V757 G768 L858 A860	V757-V766 HydrophobicContact CG1-CG2 3.63Å; V766-G768 VanDerWaalsContact C-N 3.27Å; V766-G768 PolarHBondContact O-N 2.92Å; V766-L858 HydrophobicContact CG1-CB 4.14Å; V766-L858 HydrophobicContact CG1-CD1 4.12Å; V766-L858 HydrophobicContact CG1-CD2 4.01Å; V766-L858 HydrophobicContact CG1-CG 4.33Å; V766-A860 HydrophobicContact CG2-CB 4.35Å
767	T	69.5	Low	67.9	Low	31 Å²	31	78.4 Å²	78.4	19%	0.19	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-12.5	-169.6	62.1	0	0	0	0	115.3	F765 Y769 L859 I861	F765-T767 HydrophobicContact CD1-CG2 4.41Å; F765-T767 PolarHBondContact O-N 3.18Å; T767-Y769 PolarHBondContact O-N 3.12Å; T767-Y769 WeakPolarHBondContact OG1-CD2 3.36Å; T767-Y769 PolarHBondContact OG1-N 2.98Å; T767-L859 WeakPolarHBondContact CB-O 3.07Å; T767-L859 HydrophobicContact CG2-CD2 4.4Å; T767-L859 HydrophobicContact CG2-CG 4.22Å; T767-L859 PolarHBondContact N-O 3.06Å; T767-L859 WeakPolarHBondContact OG1-CB 3.46Å; T767-L859 PolarHBondContact OG1-O 2.93Å; T767-I861 HydrophobicContact CG2-CB 4.37Å; T767-I861 HydrophobicContact CG2-CD1 3.48Å; T767-I861 VanDerWaalsContact CG2-CD1 3.48Å; T767-I861 HydrophobicContact CG2-CG1 3.59Å
768	G	71.6	Confident	67.5	Low	56 Å²	56	85.4 Å²	85.4	58%	0.577	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	80.8	-15.8	-169.8	0	0	0	0	0	114.5	V766	V766-G768 VanDerWaalsContact C-N 3.27Å; V766-G768 PolarHBondContact O-N 2.92Å
769	Y	79.8	Confident	67.3	Low	115 Å²	115	83.5 Å²	83.5	45%	0.451	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134	172.9	-63.7	-64.4	0	0	0	111	T767 L859	T767-Y769 PolarHBondContact O-N 3.12Å; T767-Y769 WeakPolarHBondContact OG1-CD2 3.36Å; T767-Y769 PolarHBondContact OG1-N 2.98Å; Y769-L859 HydrophobicContact CD2-CD2 4.36Å; Y769-L859 PolarHBondContact O-N 3.42Å
770	K	83.1	Confident	67.6	Low	112 Å²	112	81.3 Å²	81.3	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.6	177.6	-72.4	-173.7	174	-168.7	0	111.1	L772 E856 Y857 L858	K770-L772 HydrophobicContact CB-CD2 4.11Å; K770-L772 HydrophobicContact CD-CD2 4.33Å; K770-E856 IonicContact NZ-OE2 2.73Å; K770-E856 PolarHBondContact NZ-OE2 3.42Å; K770-Y857 CarbonylContact C-O 3.56Å; K770-Y857 VanDerWaalsContact CA-O 3.31Å; K770-Y857 WeakPolarHBondContact CA-O 3.1Å; K770-L858 HydrophobicContact CD-CD2 4.43Å; K770-L858 HydrophobicContact CG-CD2 3.57Å; K770-L858 HydrophobicContact CG-CG 4.21Å
771	L	83	Confident	67.5	Low	67 Å²	67	79.3 Å²	79.3	35%	0.351	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.8	160.1	173.4	62.2	0	0	0	108.1	I773 L809 L824 Y857	L771-I773 HydrophobicContact CD1-CG1 4.41Å; L771-I773 HydrophobicContact CD2-CD1 4.18Å; L771-I773 HydrophobicContact CD2-CG1 4.49Å; L771-I773 HydrophobicContact CG-CD1 4.36Å; L771-I773 HydrophobicContact CG-CG1 4.14Å; L771-L809 HydrophobicContact CD2-CD1 3.99Å; L771-L824 HydrophobicContact CB-CD2 4.18Å; L771-L824 HydrophobicContact CD2-CD1 3.73Å; L771-Y857 PolarHBondContact N-O 2.95Å; L771-Y857 PolarHBondContact O-N 3.36Å
772	L	85.5	Confident	67.3	Low	84 Å²	84	74.2 Å²	74.2	44%	0.44	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.4	176.9	-54.4	-179.5	0	0	0	108.8	K770 L855 E856	K770-L772 HydrophobicContact CB-CD2 4.11Å; K770-L772 HydrophobicContact CD-CD2 4.33Å; L772-L855 WeakPolarHBondContact CA-O 3.41Å; L772-E856 HydrophobicContact CD2-CB 4.03Å; L772-E856 HydrophobicContact CD2-CG 3.67Å
773	I	80.3	Confident	67.3	Low	43 Å²	43	70.3 Å²	70.3	22%	0.221	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102.1	175.9	-59.4	174.2	0	0	0	108	L771 F775 L805 L809 R854 L855 Y857	L771-I773 HydrophobicContact CD1-CG1 4.41Å; L771-I773 HydrophobicContact CD2-CD1 4.18Å; L771-I773 HydrophobicContact CD2-CG1 4.49Å; L771-I773 HydrophobicContact CG-CD1 4.36Å; L771-I773 HydrophobicContact CG-CG1 4.14Å; I773-F775 HydrophobicContact CG2-CD1 4.4Å; I773-L805 HydrophobicContact CD1-CD2 4.27Å; I773-L809 HydrophobicContact CD1-CD1 3.7Å; I773-R854 WeakPolarHBondContact O-CA 2.98Å; I773-L855 HydrophobicContact CB-CB 4.37Å; I773-L855 PolarHBondContact N-O 2.6Å; I773-L855 PolarHBondContact O-N 2.96Å; I773-Y857 HydrophobicContact CD1-CD2 4.24Å; I773-Y857 HydrophobicContact CD1-CE2 3.98Å
774	D	80.1	Confident	66.9	Low	71 Å²	71	67 Å²	67	38%	0.38	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.1	174.5	-72.1	-16.9	0	0	0	110.3	K853 R854	D774-K853 CarbonylContact C-O 3.52Å; D774-K853 WeakPolarHBondContact CA-O 3.06Å; D774-R854 VanDerWaalsContact OD1-CB 3.3Å; D774-R854 WeakPolarHBondContact OD1-CB 3.48Å; D774-R854 WeakPolarHBondContact OD1-CG 3.42Å; D774-R854 IonicContact OD1-CZ 3.41Å; D774-R854 IonicContact OD1-NE 2.71Å; D774-R854 PolarHBondContact OD1-NE 2.91Å; D774-R854 IonicContact OD1-NH2 3.28Å; D774-R854 PolarHBondContact OD1-NH2 3.38Å; D774-R854 IonicContact OD2-CZ 3.63Å; D774-R854 IonicContact OD2-NE 3.67Å; D774-R854 IonicContact OD2-NH2 2.73Å; D774-R854 PolarHBondContact OD2-NH2 3.19Å
775	F	71	Confident	66.1	Low	15 Å²	15	66.5 Å²	66.5	7%	0.066	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.5	-179.3	62.7	-98.4	0	0	0	113.9	I773 Y780 F798 I802 Y829 L852 K853 L855	I773-F775 HydrophobicContact CG2-CD1 4.4Å; F775-Y780 HydrophobicContact CB-CD2 4.21Å; F775-Y780 AromaticContact CD1-CD2 3.7Å; F775-Y780 HydrophobicContact CD1-CD2 3.7Å; F775-Y780 HydrophobicContact CD1-CE2 4.21Å; F775-Y780 HydrophobicContact CD1-CG 4.29Å; F775-Y780 AromaticContact CD2-CD2 3.89Å; F775-Y780 HydrophobicContact CD2-CD2 3.89Å; F775-Y780 AromaticContact CD2-CG 3.65Å; F775-Y780 HydrophobicContact CD2-CG 3.65Å; F775-Y780 AromaticContact CE1-CD2 3.83Å; F775-Y780 HydrophobicContact CE1-CD2 3.83Å; F775-Y780 HydrophobicContact CE1-CE2 4.04Å; F775-Y780 HydrophobicContact CE1-CG 4.26Å; F775-Y780 HydrophobicContact CE2-CD1 4.06Å; F775-Y780 HydrophobicContact CE2-CD2 4Å; F775-Y780 AromaticContact CE2-CG 3.6Å; F775-Y780 HydrophobicContact CE2-CG 3.6Å; F775-Y780 AromaticContact CG-CD2 3.69Å; F775-Y780 HydrophobicContact CG-CD2 3.69Å; F775-Y780 AromaticContact CG-CG 3.96Å; F775-Y780 HydrophobicContact CG-CG 3.96Å; F775-Y780 HydrophobicContact CZ-CD1 4.2Å; F775-Y780 AromaticContact CZ-CD2 3.95Å; F775-Y780 HydrophobicContact CZ-CD2 3.95Å; F775-Y780 HydrophobicContact CZ-CE2 4.31Å; F775-Y780 AromaticContact CZ-CG 3.9Å; F775-Y780 HydrophobicContact CZ-CG 3.9Å; F775-F798 HydrophobicContact CE2-CZ 4.07Å; F775-F798 HydrophobicContact CZ-CZ 4.45Å; F775-I802 HydrophobicContact CZ-CD1 4.23Å; F775-Y829 HydrophobicContact CZ-CE2 4.01Å; F775-L852 WeakPolarHBondContact O-CA 3.27Å; F775-K853 HydrophobicContact CD1-CB 4.41Å; F775-K853 HydrophobicContact CD2-CB 3.92Å; F775-K853 HydrophobicContact CD2-CG 4.45Å; F775-K853 HydrophobicContact CE1-CB 4.06Å; F775-K853 HydrophobicContact CE2-CB 3.55Å; F775-K853 HydrophobicContact CE2-CG 3.95Å; F775-K853 HydrophobicContact CG-CB 4.38Å; F775-K853 HydrophobicContact CZ-CB 3.65Å; F775-K853 HydrophobicContact CZ-CG 4.37Å; F775-K853 PolarHBondContact N-O 2.05Å; F775-K853 PolarHBondContact O-N 3.48Å; F775-L855 HydrophobicContact CE1-CD1 3.75Å; F775-L855 HydrophobicContact CE1-CG 3.95Å
776	D	69.1	Low	64.6	Low	18 Å²	18	65.6 Å²	65.6	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.9	161.7	179.7	-26	0	0	0	107.9	K778 M779 Y780 K850	D776-K778 PolarHBondContact O-N 3.27Å; D776-K778 WeakPolarHBondContact OD1-CB 3.2Å; D776-K778 PolarHBondContact OD1-N 2.97Å; D776-M779 HydrophobicContact CB-CB 4.24Å; D776-M779 HydrophobicContact CB-CG 4.19Å; D776-M779 PolarHBondContact O-N 3.48Å; D776-Y780 PolarHBondContact O-N 3.39Å; D776-K850 WeakPolarHBondContact OD2-CE 3.38Å; D776-K850 IonicContact OD2-NZ 3.65Å; D776-K850 PolarHBondContact OD2-NZ 3.47Å
777	V	61.3	Low	63.4	Low	48 Å²	48	68 Å²	68	29%	0.291	36%	0.361	S	S	.	.	H	α-helix	trans	-51.1	-34.6	179.4	179.7	0	0	0	0	111.8	S781 F798 K853	V777-S781 WeakPolarHBondContact O-CB 3.19Å; V777-S781 PolarHBondContact O-N 3.49Å; V777-F798 HydrophobicContact CG1-CZ 4.38Å; V777-K853 HydrophobicContact CG2-CD 4.28Å; V777-K853 HydrophobicContact CG2-CG 3.49Å; V777-K853 VanDerWaalsContact CG2-CG 3.49Å
778	K	59.3	Low	62.3	Low	162 Å²	162	68.2 Å²	68.2	70%	0.704	37%	0.366	S	S	*	.	H	α-helix	trans	-72.8	-33.5	178.5	-62.6	176.5	178.5	177.5	0	112.9	D776 T782	D776-K778 PolarHBondContact O-N 3.27Å; D776-K778 WeakPolarHBondContact OD1-CB 3.2Å; D776-K778 PolarHBondContact OD1-N 2.97Å; K778-T782 WeakPolarHBondContact O-CB 3.33Å; K778-T782 PolarHBondContact O-N 3.33Å; K778-T782 VanDerWaalsContact O-N 3.07Å; K778-T782 PolarHBondContact O-OG1 3.29Å
779	M	55.2	Low	60.8	Low	130 Å²	130	69.7 Å²	69.7	64%	0.64	36%	0.361	S	S	*	.	H	α-helix	trans	-74.3	-40.6	174	-71.4	-127.9	-68.7	0	0	111.1	D776 T782 T783	D776-M779 HydrophobicContact CB-CB 4.24Å; D776-M779 HydrophobicContact CB-CG 4.19Å; D776-M779 PolarHBondContact O-N 3.48Å; M779-T782 PolarHBondContact O-N 3.37Å; M779-T783 WeakPolarHBondContact O-CB 3.38Å; M779-T783 PolarHBondContact O-N 2.91Å; M779-T783 PolarHBondContact O-OG1 2.97Å
780	Y	57.6	Low	59.1	Low	16 Å²	16	69.4 Å²	69.4	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-70.2	-39.7	177.3	-164.8	-83.8	0	0	0	111.8	F775 D776 T782 T783 I784 F798 I802 L805	F775-Y780 HydrophobicContact CB-CD2 4.21Å; F775-Y780 AromaticContact CD1-CD2 3.7Å; F775-Y780 HydrophobicContact CD1-CD2 3.7Å; F775-Y780 HydrophobicContact CD1-CE2 4.21Å; F775-Y780 HydrophobicContact CD1-CG 4.29Å; F775-Y780 AromaticContact CD2-CD2 3.89Å; F775-Y780 HydrophobicContact CD2-CD2 3.89Å; F775-Y780 AromaticContact CD2-CG 3.65Å; F775-Y780 HydrophobicContact CD2-CG 3.65Å; F775-Y780 AromaticContact CE1-CD2 3.83Å; F775-Y780 HydrophobicContact CE1-CD2 3.83Å; F775-Y780 HydrophobicContact CE1-CE2 4.04Å; F775-Y780 HydrophobicContact CE1-CG 4.26Å; F775-Y780 HydrophobicContact CE2-CD1 4.06Å; F775-Y780 HydrophobicContact CE2-CD2 4Å; F775-Y780 AromaticContact CE2-CG 3.6Å; F775-Y780 HydrophobicContact CE2-CG 3.6Å; F775-Y780 AromaticContact CG-CD2 3.69Å; F775-Y780 HydrophobicContact CG-CD2 3.69Å; F775-Y780 AromaticContact CG-CG 3.96Å; F775-Y780 HydrophobicContact CG-CG 3.96Å; F775-Y780 HydrophobicContact CZ-CD1 4.2Å; F775-Y780 AromaticContact CZ-CD2 3.95Å; F775-Y780 HydrophobicContact CZ-CD2 3.95Å; F775-Y780 HydrophobicContact CZ-CE2 4.31Å; F775-Y780 AromaticContact CZ-CG 3.9Å; F775-Y780 HydrophobicContact CZ-CG 3.9Å; D776-Y780 PolarHBondContact O-N 3.39Å; Y780-T782 PolarHBondContact O-N 3.38Å; Y780-T783 PolarHBondContact O-N 3.45Å; Y780-T783 VanDerWaalsContact O-N 3.16Å; Y780-I784 HydrophobicContact CD1-CD1 4.42Å; Y780-I784 HydrophobicContact CD1-CG1 3.62Å; Y780-I784 HydrophobicContact CE1-CD1 3.82Å; Y780-I784 HydrophobicContact CE1-CG1 3.34Å; Y780-I784 HydrophobicContact CG-CG1 4.46Å; Y780-I784 WeakPolarHBondContact O-CG1 3.42Å; Y780-I784 PolarHBondContact O-N 2.92Å; Y780-F798 HydrophobicContact CD1-CD2 4.07Å; Y780-F798 AromaticContact CD1-CE2 3.5Å; Y780-F798 HydrophobicContact CD1-CE2 3.5Å; Y780-F798 VanDerWaalsContact CD1-CE2 3.5Å; Y780-F798 AromaticContact CD1-CZ 3.87Å; Y780-F798 HydrophobicContact CD1-CZ 3.87Å; Y780-F798 HydrophobicContact CE1-CD2 4.46Å; Y780-F798 HydrophobicContact CE1-CE2 4.2Å; Y780-F798 HydrophobicContact CE1-CZ 4.42Å; Y780-F798 HydrophobicContact CG-CE2 4.43Å; Y780-I802 HydrophobicContact CE1-CD1 4.17Å; Y780-I802 HydrophobicContact CE1-CG1 3.66Å; Y780-I802 VanDerWaalsContact OH-CG1 3.31Å; Y780-I802 WeakPolarHBondContact OH-CG1 3.35Å; Y780-L805 HydrophobicContact CE2-CD2 4.34Å
781	S	49.3	Very low	57.3	Low	38 Å²	38	72.2 Å²	72.2	27%	0.266	38%	0.379	S	S	.	.	H	α-helix	trans	-57.2	-52.4	169.3	98.8	0	0	0	0	109.3	V777 T783 I784 D785	V777-S781 WeakPolarHBondContact O-CB 3.19Å; V777-S781 PolarHBondContact O-N 3.49Å; S781-T783 PolarHBondContact O-N 3.39Å; S781-T783 VanDerWaalsContact O-N 3.1Å; S781-I784 CarbonylContact O-C 3.6Å; S781-I784 PolarHBondContact O-N 3.46Å; S781-D785 WeakPolarHBondContact O-CB 3.43Å; S781-D785 PolarHBondContact O-N 3.14Å; S781-D785 PolarHBondContact OG-OD2 2.92Å
782	T	46	Very low	55.6	Low	80 Å²	80	73.6 Å²	73.6	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-55.1	-35.5	177.1	-55.5	0	0	0	0	112.9	K778 M779 Y780 L786	K778-T782 WeakPolarHBondContact O-CB 3.33Å; K778-T782 PolarHBondContact O-N 3.33Å; K778-T782 VanDerWaalsContact O-N 3.07Å; K778-T782 PolarHBondContact O-OG1 3.29Å; M779-T782 PolarHBondContact O-N 3.37Å; Y780-T782 PolarHBondContact O-N 3.38Å; T782-L786 HydrophobicContact CG2-CD1 4.37Å; T782-L786 WeakPolarHBondContact O-CB 3.25Å; T782-L786 WeakPolarHBondContact O-CD1 3.43Å; T782-L786 WeakPolarHBondContact O-CG 3.44Å; T782-L786 PolarHBondContact O-N 2.88Å
783	T	49.1	Very low	53.8	Low	76 Å²	76	71 Å²	71	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-73.6	-35.3	179	-54.9	0	0	0	0	112.3	M779 Y780 S781 L787	M779-T783 WeakPolarHBondContact O-CB 3.38Å; M779-T783 PolarHBondContact O-N 2.91Å; M779-T783 PolarHBondContact O-OG1 2.97Å; Y780-T783 PolarHBondContact O-N 3.45Å; Y780-T783 VanDerWaalsContact O-N 3.16Å; S781-T783 PolarHBondContact O-N 3.39Å; S781-T783 VanDerWaalsContact O-N 3.1Å; T783-L787 WeakPolarHBondContact O-CG 3.45Å
784	I	51.8	Low	52.6	Low	13 Å²	13	70 Å²	70	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-85.6	-32.4	177.2	-54.4	-54.7	0	0	0	111.8	Y780 S781 L786 L787 A788 L793 S801	Y780-I784 HydrophobicContact CD1-CD1 4.42Å; Y780-I784 HydrophobicContact CD1-CG1 3.62Å; Y780-I784 HydrophobicContact CE1-CD1 3.82Å; Y780-I784 HydrophobicContact CE1-CG1 3.34Å; Y780-I784 HydrophobicContact CG-CG1 4.46Å; Y780-I784 WeakPolarHBondContact O-CG1 3.42Å; Y780-I784 PolarHBondContact O-N 2.92Å; S781-I784 CarbonylContact O-C 3.6Å; S781-I784 PolarHBondContact O-N 3.46Å; I784-L786 PolarHBondContact O-N 3.13Å; I784-L786 VanDerWaalsContact O-N 3.17Å; I784-L787 HydrophobicContact CD1-CD1 3.99Å; I784-L787 CarbonylContact O-C 3.52Å; I784-L787 WeakPolarHBondContact O-CA 3.39Å; I784-L787 PolarHBondContact O-N 2.88Å; I784-A788 PolarHBondContact O-N 3.43Å; I784-L793 HydrophobicContact CB-CD1 4.41Å; I784-L793 HydrophobicContact CB-CD2 4.47Å; I784-L793 HydrophobicContact CG2-CD1 3.82Å; I784-L793 HydrophobicContact CG2-CD2 3.31Å; I784-L793 HydrophobicContact CG2-CG 4.22Å; I784-S801 WeakPolarHBondContact CG2-OG 3.46Å
785	D	46.9	Very low	51.3	Low	58 Å²	58	71.7 Å²	71.7	31%	0.31	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.5	165.9	-67.3	-50.7	0	0	0	111.8	S781	S781-D785 WeakPolarHBondContact O-CB 3.43Å; S781-D785 PolarHBondContact O-N 3.14Å; S781-D785 PolarHBondContact OG-OD2 2.92Å
786	L	37.8	Very low	50.6	Low	107 Å²	107	73 Å²	73	56%	0.56	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.5	168.9	-79.2	168.3	0	0	0	113.4	Y470 T782 I784	Y470-L786 HydrophobicContact CE2-CD2 4.42Å; T782-L786 HydrophobicContact CG2-CD1 4.37Å; T782-L786 WeakPolarHBondContact O-CB 3.25Å; T782-L786 WeakPolarHBondContact O-CD1 3.43Å; T782-L786 WeakPolarHBondContact O-CG 3.44Å; T782-L786 PolarHBondContact O-N 2.88Å; I784-L786 PolarHBondContact O-N 3.13Å; I784-L786 VanDerWaalsContact O-N 3.17Å
787	L	45	Very low	50	Low	87 Å²	87	75.9 Å²	75.9	46%	0.455	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-26.9	-179.4	-70.1	169.6	0	0	0	113.1	R469 T783 I784	R469-L787 PolarHBondContact NH1-O 2.83Å; T783-L787 WeakPolarHBondContact O-CG 3.45Å; I784-L787 HydrophobicContact CD1-CD1 3.99Å; I784-L787 CarbonylContact O-C 3.52Å; I784-L787 WeakPolarHBondContact O-CA 3.39Å; I784-L787 PolarHBondContact O-N 2.88Å
788	A	45.4	Very low	50.1	Low	37 Å²	37	74.5 Å²	74.5	31%	0.306	39%	0.391	S	S	.	.	S	Bend	trans	-91.3	147.8	165.6	0	0	0	0	0	110.9	I784 L793	I784-A788 PolarHBondContact O-N 3.43Å; A788-L793 HydrophobicContact CB-CD1 3.65Å; A788-L793 HydrophobicContact CB-CD2 4.47Å; A788-L793 HydrophobicContact CB-CG 4.01Å
789	D	41.3	Very low	50.6	Low	87 Å²	87	67.4 Å²	67.4	47%	0.465	36%	0.36	S	S	.	.	S	Bend	trans	-79.8	-16.4	-179.9	-98.9	-59.6	0	0	0	113.7	R469	R469-D789 IonicContact CZ-OD2 2.64Å; R469-D789 VanDerWaalsContact CZ-OD2 3.27Å; R469-D789 IonicContact NE-OD2 3.34Å; R469-D789 PolarHBondContact NE-OD2 3.26Å; R469-D789 VanDerWaalsContact NE-OD2 3.07Å; R469-D789 IonicContact NH2-OD2 3.94Å; R469-D789 PolarHBondContact NH2-OD2 2.9Å
790	D	43.6	Very low	51.3	Low	108 Å²	108	61.6 Å²	61.6	58%	0.578	33%	0.333	S	S	*	.	S	Bend	trans	-99.7	138.3	180	-110.2	-38.3	0	0	0	113.2
791	K	44.9	Very low	51.7	Low	172 Å²	172	62 Å²	62	75%	0.748	34%	0.338	S	S	*	.	S	Bend	trans	-76.3	128.2	178.5	-70.2	-174.1	175.9	-174.3	0	109.4
792	S	46.5	Very low	52.9	Low	95 Å²	95	60.1 Å²	60.1	66%	0.664	33%	0.325	S	S	*	.	S	Bend	trans	62.7	97	-160.2	70.3	0	0	0	0	112
793	L	49	Very low	54.2	Low	30 Å²	30	57.9 Å²	57.9	16%	0.157	31%	0.311	C	S	.	.			trans	-53.4	140.8	146	-74.6	86.2	0	0	0	108.5	I784 A788 E797	I784-L793 HydrophobicContact CB-CD1 4.41Å; I784-L793 HydrophobicContact CB-CD2 4.47Å; I784-L793 HydrophobicContact CG2-CD1 3.82Å; I784-L793 HydrophobicContact CG2-CD2 3.31Å; I784-L793 HydrophobicContact CG2-CG 4.22Å; A788-L793 HydrophobicContact CB-CD1 3.65Å; A788-L793 HydrophobicContact CB-CD2 4.47Å; A788-L793 HydrophobicContact CB-CG 4.01Å; L793-E797 HydrophobicContact CB-CB 4.14Å; L793-E797 HydrophobicContact CD2-CB 3.86Å; L793-E797 HydrophobicContact CG-CB 4.3Å
794	S	54.9	Low	55.3	Low	21 Å²	21	60.4 Å²	60.4	15%	0.147	32%	0.318	C	S	.	.			trans	-60.5	151.3	161.2	68	0	0	0	0	109.3	Y796 E797 F798	S794-Y796 CarbonylContact O-C 3.49Å; S794-Y796 PolarHBondContact O-N 3.03Å; S794-E797 VanDerWaalsContact CB-OE2 3.23Å; S794-E797 WeakPolarHBondContact CB-OE2 3.07Å; S794-E797 PolarHBondContact N-OE2 2.96Å; S794-E797 PolarHBondContact O-N 3.41Å; S794-E797 WeakPolarHBondContact OG-CG 3.48Å; S794-E797 PolarHBondContact OG-N 3.43Å; S794-E797 PolarHBondContact OG-OE2 2.9Å; S794-F798 PolarHBondContact O-N 2.74Å; S794-F798 VanDerWaalsContact O-N 3.12Å
795	E	52.9	Low	56.4	Low	107 Å²	107	61.5 Å²	61.5	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-56	-29.7	179	-63.3	173.2	137.6	0	0	111.2	L733 Y737 F798 Y799	L733-E795 VanDerWaalsContact CD1-CD 3.49Å; L733-E795 HydrophobicContact CD1-CG 4.33Å; L733-E795 WeakPolarHBondContact CD1-OE1 3.07Å; L733-E795 VanDerWaalsContact CD2-OE2 3.28Å; L733-E795 WeakPolarHBondContact CD2-OE2 3.33Å; Y737-E795 HydrophobicContact CD2-CB 4.47Å; Y737-E795 HydrophobicContact CE2-CB 3.78Å; E795-F798 WeakPolarHBondContact O-CB 3.45Å; E795-Y799 WeakPolarHBondContact O-CD2 3.2Å; E795-Y799 PolarHBondContact O-N 2.04Å
796	Y	55	Low	57.7	Low	42 Å²	42	59.4 Å²	59.4	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-55.4	169.3	-179.7	-110.1	0	0	0	112.5	R662 Y737 F741 S794 F798 Y799 G800	R662-Y796 VanDerWaalsContact CZ-CE1 3.45Å; Y737-Y796 AromaticContact CD1-CD2 3.55Å; Y737-Y796 HydrophobicContact CD1-CD2 3.55Å; Y737-Y796 HydrophobicContact CD1-CE2 4.46Å; Y737-Y796 HydrophobicContact CD1-CG 4.35Å; Y737-Y796 HydrophobicContact CE1-CD2 4.01Å; Y737-Y796 HydrophobicContact CE1-CG 4.47Å; Y737-Y796 HydrophobicContact CG-CD2 4.14Å; F741-Y796 HydrophobicContact CD2-CD2 4.42Å; F741-Y796 HydrophobicContact CD2-CE2 4.1Å; F741-Y796 HydrophobicContact CE1-CD1 4.47Å; F741-Y796 AromaticContact CE1-CE1 3.84Å; F741-Y796 HydrophobicContact CE1-CE1 3.84Å; F741-Y796 AromaticContact CE1-CE2 3.95Å; F741-Y796 HydrophobicContact CE1-CE2 3.95Å; F741-Y796 AromaticContact CE1-CZ 3.55Å; F741-Y796 HydrophobicContact CE2-CD1 4.35Å; F741-Y796 AromaticContact CE2-CD2 3.37Å; F741-Y796 HydrophobicContact CE2-CD2 3.37Å; F741-Y796 HydrophobicContact CE2-CE1 4.3Å; F741-Y796 AromaticContact CE2-CE2 3.31Å; F741-Y796 HydrophobicContact CE2-CE2 3.31Å; F741-Y796 AromaticContact CE2-CG 3.92Å; F741-Y796 HydrophobicContact CE2-CG 3.92Å; F741-Y796 AromaticContact CE2-CZ 3.81Å; F741-Y796 WeakPolarHBondContact CE2-O 3.29Å; F741-Y796 AromaticContact CZ-CD1 3.64Å; F741-Y796 HydrophobicContact CZ-CD1 3.64Å; F741-Y796 AromaticContact CZ-CD2 3.47Å; F741-Y796 HydrophobicContact CZ-CD2 3.47Å; F741-Y796 VanDerWaalsContact CZ-CD2 3.47Å; F741-Y796 AromaticContact CZ-CE1 3.4Å; F741-Y796 HydrophobicContact CZ-CE1 3.4Å; F741-Y796 VanDerWaalsContact CZ-CE1 3.4Å; F741-Y796 AromaticContact CZ-CE2 3.24Å; F741-Y796 HydrophobicContact CZ-CE2 3.24Å; F741-Y796 AromaticContact CZ-CG 3.67Å; F741-Y796 HydrophobicContact CZ-CG 3.67Å; F741-Y796 AromaticContact CZ-CZ 3.2Å; F741-Y796 WeakPolarHBondContact CZ-O 3.07Å; S794-Y796 CarbonylContact O-C 3.49Å; S794-Y796 PolarHBondContact O-N 3.03Å; Y796-F798 VanDerWaalsContact C-N 3.25Å; Y796-F798 PolarHBondContact O-N 3.01Å; Y796-Y799 PolarHBondContact O-N 2.88Å; Y796-G800 PolarHBondContact O-N 3.38Å
797	E	56.5	Low	59.2	Low	79 Å²	79	58.3 Å²	58.3	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-29.8	-177.3	-68.9	149.1	155	0	0	112.7	L793 S794 G800 S801	L793-E797 HydrophobicContact CB-CB 4.14Å; L793-E797 HydrophobicContact CD2-CB 3.86Å; L793-E797 HydrophobicContact CG-CB 4.3Å; S794-E797 VanDerWaalsContact CB-OE2 3.23Å; S794-E797 WeakPolarHBondContact CB-OE2 3.07Å; S794-E797 PolarHBondContact N-OE2 2.96Å; S794-E797 PolarHBondContact O-N 3.41Å; S794-E797 WeakPolarHBondContact OG-CG 3.48Å; S794-E797 PolarHBondContact OG-N 3.43Å; S794-E797 PolarHBondContact OG-OE2 2.9Å; E797-G800 PolarHBondContact O-N 3.07Å; E797-S801 PolarHBondContact O-N 2.97Å; E797-S801 PolarHBondContact O-OG 2.95Å
798	F	63.5	Low	60.5	Low	20 Å²	20	57.7 Å²	57.7	9%	0.088	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-45	169.3	168.6	-79.3	0	0	0	112	F775 V777 Y780 S794 E795 Y796 S801 I802	F775-F798 HydrophobicContact CE2-CZ 4.07Å; F775-F798 HydrophobicContact CZ-CZ 4.45Å; V777-F798 HydrophobicContact CG1-CZ 4.38Å; Y780-F798 HydrophobicContact CD1-CD2 4.07Å; Y780-F798 AromaticContact CD1-CE2 3.5Å; Y780-F798 HydrophobicContact CD1-CE2 3.5Å; Y780-F798 VanDerWaalsContact CD1-CE2 3.5Å; Y780-F798 AromaticContact CD1-CZ 3.87Å; Y780-F798 HydrophobicContact CD1-CZ 3.87Å; Y780-F798 HydrophobicContact CE1-CD2 4.46Å; Y780-F798 HydrophobicContact CE1-CE2 4.2Å; Y780-F798 HydrophobicContact CE1-CZ 4.42Å; Y780-F798 HydrophobicContact CG-CE2 4.43Å; S794-F798 PolarHBondContact O-N 2.74Å; S794-F798 VanDerWaalsContact O-N 3.12Å; E795-F798 WeakPolarHBondContact O-CB 3.45Å; Y796-F798 VanDerWaalsContact C-N 3.25Å; Y796-F798 PolarHBondContact O-N 3.01Å; F798-S801 PolarHBondContact O-N 2.88Å; F798-I802 HydrophobicContact CD1-CD1 3.96Å; F798-I802 HydrophobicContact CE1-CD1 3.57Å; F798-I802 HydrophobicContact CZ-CD1 4.25Å; F798-I802 WeakPolarHBondContact O-CG1 3.44Å; F798-I802 PolarHBondContact O-N 3.23Å; F798-I802 VanDerWaalsContact O-N 3.14Å
799	Y	70.3	Confident	62.1	Low	13 Å²	13	57.6 Å²	57.6	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-75	-25.6	175	-66.5	-70.8	0	0	0	113.2	L733 G734 Y737 L738 E795 Y796 I802 V803 Y829	L733-Y799 HydrophobicContact CB-CE2 3.72Å; G734-Y799 VanDerWaalsContact CA-CE1 3.44Å; G734-Y799 VanDerWaalsContact CA-CZ 3.47Å; G734-Y799 PolarHBondContact N-OH 2.99Å; Y737-Y799 AromaticContact CD2-CD2 3.54Å; Y737-Y799 HydrophobicContact CD2-CD2 3.54Å; Y737-Y799 AromaticContact CD2-CE2 3.86Å; Y737-Y799 HydrophobicContact CD2-CE2 3.86Å; Y737-Y799 HydrophobicContact CG-CD2 4.05Å; L738-Y799 HydrophobicContact CD1-CD1 3.88Å; L738-Y799 HydrophobicContact CD1-CE1 4.34Å; L738-Y799 HydrophobicContact CD2-CD1 3.94Å; L738-Y799 HydrophobicContact CD2-CG 4.36Å; L738-Y799 HydrophobicContact CG-CD1 3.61Å; L738-Y799 HydrophobicContact CG-CE1 4.47Å; L738-Y799 HydrophobicContact CG-CG 4.12Å; E795-Y799 WeakPolarHBondContact O-CD2 3.2Å; E795-Y799 PolarHBondContact O-N 2.04Å; Y796-Y799 PolarHBondContact O-N 2.88Å; Y799-I802 HydrophobicContact CD1-CD1 3.73Å; Y799-I802 HydrophobicContact CE1-CD1 4.07Å; Y799-I802 WeakPolarHBondContact O-CB 3.5Å; Y799-I802 PolarHBondContact O-N 3Å; Y799-V803 PolarHBondContact O-N 3.48Å; Y799-Y829 AromaticContact CE1-CE1 3.81Å; Y799-Y829 HydrophobicContact CE1-CE1 3.81Å; Y799-Y829 HydrophobicContact CE1-CE2 4.33Å; Y799-Y829 AromaticContact CE1-CZ 3.68Å; Y799-Y829 PolarHBondContact OH-OH 3.03Å
800	G	69.6	Low	63.7	Low	8 Å²	8	54.3 Å²	54.3	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-44.5	168.5	0	0	0	0	0	111.9	F741 Y796 E797 I802 V803 Q804	F741-G800 VanDerWaalsContact CE1-CA 3.46Å; F741-G800 VanDerWaalsContact CE2-N 3.28Å; F741-G800 VanDerWaalsContact CZ-CA 3.45Å; Y796-G800 PolarHBondContact O-N 3.38Å; E797-G800 PolarHBondContact O-N 3.07Å; G800-I802 VanDerWaalsContact C-N 3.31Å; G800-I802 PolarHBondContact O-N 3.39Å; G800-V803 PolarHBondContact O-N 3.3Å; G800-V803 VanDerWaalsContact O-N 3.08Å; G800-Q804 PolarHBondContact O-N 3.46Å
801	S	66.6	Low	64.9	Low	23 Å²	23	50.6 Å²	50.6	16%	0.161	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-35	176.8	-54.6	0	0	0	0	112.2	I784 E797 F798 V803 Q804 L805	I784-S801 WeakPolarHBondContact CG2-OG 3.46Å; E797-S801 PolarHBondContact O-N 2.97Å; E797-S801 PolarHBondContact O-OG 2.95Å; F798-S801 PolarHBondContact O-N 2.88Å; S801-V803 VanDerWaalsContact C-N 3.31Å; S801-V803 PolarHBondContact O-N 3.33Å; S801-Q804 PolarHBondContact O-N 2.63Å; S801-L805 PolarHBondContact O-N 2.85Å
802	I	74.5	Confident	66.1	Low	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-38.3	171.6	-77.3	171	0	0	0	112.2	L738 F775 Y780 F798 Y799 G800 L826 Y829 L855 Y857	L738-I802 HydrophobicContact CD2-CB 4.38Å; L738-I802 HydrophobicContact CD2-CG2 3.8Å; F775-I802 HydrophobicContact CZ-CD1 4.23Å; Y780-I802 HydrophobicContact CE1-CD1 4.17Å; Y780-I802 HydrophobicContact CE1-CG1 3.66Å; Y780-I802 VanDerWaalsContact OH-CG1 3.31Å; Y780-I802 WeakPolarHBondContact OH-CG1 3.35Å; F798-I802 HydrophobicContact CD1-CD1 3.96Å; F798-I802 HydrophobicContact CE1-CD1 3.57Å; F798-I802 HydrophobicContact CZ-CD1 4.25Å; F798-I802 WeakPolarHBondContact O-CG1 3.44Å; F798-I802 PolarHBondContact O-N 3.23Å; F798-I802 VanDerWaalsContact O-N 3.14Å; Y799-I802 HydrophobicContact CD1-CD1 3.73Å; Y799-I802 HydrophobicContact CE1-CD1 4.07Å; Y799-I802 WeakPolarHBondContact O-CB 3.5Å; Y799-I802 PolarHBondContact O-N 3Å; G800-I802 VanDerWaalsContact C-N 3.31Å; G800-I802 PolarHBondContact O-N 3.39Å; I802-L826 HydrophobicContact CG2-CD2 4.26Å; I802-Y829 HydrophobicContact CD1-CE2 4.24Å; I802-L855 HydrophobicContact CG1-CD1 4.28Å; I802-L855 HydrophobicContact CG2-CD1 4.05Å; I802-L855 HydrophobicContact CG2-CD2 3.42Å; I802-L855 VanDerWaalsContact CG2-CD2 3.42Å; I802-L855 HydrophobicContact CG2-CG 4.38Å; I802-Y857 PolarHBondContact O-OH 3.39Å
803	V	72.4	Confident	67.3	Low	32 Å²	32	45.2 Å²	45.2	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-75.1	-39.4	176.2	177.8	0	0	0	0	111	L738 F741 N742 Y799 G800 S801 L805 E806 L826	L738-V803 HydrophobicContact CD2-CG2 3.99Å; F741-V803 HydrophobicContact CB-CB 4.48Å; F741-V803 HydrophobicContact CB-CG2 3.87Å; N742-V803 HydrophobicContact CB-CG1 4.42Å; N742-V803 HydrophobicContact CB-CG2 4.28Å; Y799-V803 PolarHBondContact O-N 3.48Å; G800-V803 PolarHBondContact O-N 3.3Å; G800-V803 VanDerWaalsContact O-N 3.08Å; S801-V803 VanDerWaalsContact C-N 3.31Å; S801-V803 PolarHBondContact O-N 3.33Å; V803-L805 VanDerWaalsContact C-N 3.25Å; V803-L805 PolarHBondContact O-N 3.25Å; V803-E806 VanDerWaalsContact O-CB 3.25Å; V803-E806 WeakPolarHBondContact O-CB 3.31Å; V803-E806 PolarHBondContact O-N 2.79Å; V803-L826 HydrophobicContact CG2-CD2 4.42Å
804	Q	72.7	Confident	68.2	Low	130 Å²	130	44.9 Å²	44.9	61%	0.607	23%	0.225	S	C	*	.	H	α-helix	trans	-62.4	-29.9	175.3	-70.4	177.9	-9	0	0	113.4	G800 S801 E806 F807 L808	G800-Q804 PolarHBondContact O-N 3.46Å; S801-Q804 PolarHBondContact O-N 2.63Å; Q804-E806 PolarHBondContact O-N 3.26Å; Q804-E806 VanDerWaalsContact O-N 3.17Å; Q804-F807 PolarHBondContact O-N 3.13Å; Q804-F807 VanDerWaalsContact O-N 3.09Å; Q804-L808 PolarHBondContact O-N 2.88Å
805	L	75.2	Confident	68.7	Low	36 Å²	36	48.3 Å²	48.3	19%	0.188	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-26	176.1	-173.6	63.7	0	0	0	112.8	I773 Y780 S801 V803 F807 L809 L855	I773-L805 HydrophobicContact CD1-CD2 4.27Å; Y780-L805 HydrophobicContact CE2-CD2 4.34Å; S801-L805 PolarHBondContact O-N 2.85Å; V803-L805 VanDerWaalsContact C-N 3.25Å; V803-L805 PolarHBondContact O-N 3.25Å; L805-F807 PolarHBondContact O-N 3.44Å; L805-L809 HydrophobicContact CD1-CD1 4.15Å; L805-L809 HydrophobicContact CD1-CG 4.01Å; L805-L809 HydrophobicContact CD2-CD1 4.31Å; L805-L809 HydrophobicContact CG-CD1 3.76Å; L805-L809 HydrophobicContact CG-CG 4.11Å; L805-L809 WeakPolarHBondContact O-CB 3.49Å; L805-L809 VanDerWaalsContact O-CG 3.26Å; L805-L809 WeakPolarHBondContact O-CG 3.32Å; L805-L809 PolarHBondContact O-N 3.27Å; L805-L855 HydrophobicContact CD2-CD1 4.28Å
806	E	74.5	Confident	69.3	Low	13 Å²	13	47.9 Å²	47.9	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-45.7	173.3	-169	-175.9	112.7	0	0	112.4	V803 Q804 T810 R823 L824 L826 Y857	V803-E806 VanDerWaalsContact O-CB 3.25Å; V803-E806 WeakPolarHBondContact O-CB 3.31Å; V803-E806 PolarHBondContact O-N 2.79Å; Q804-E806 PolarHBondContact O-N 3.26Å; Q804-E806 VanDerWaalsContact O-N 3.17Å; E806-T810 VanDerWaalsContact O-CB 3.28Å; E806-T810 WeakPolarHBondContact O-CB 3.27Å; E806-T810 PolarHBondContact O-N 3.18Å; E806-T810 PolarHBondContact O-OG1 2.83Å; E806-R823 IonicContact OE1-CZ 3.83Å; E806-R823 IonicContact OE1-NE 3.4Å; E806-R823 PolarHBondContact OE1-NE 2.03Å; E806-R823 IonicContact OE1-NH2 3.29Å; E806-R823 PolarHBondContact OE1-NH2 3.42Å; E806-L824 WeakPolarHBondContact CG-O 3.46Å; E806-L826 WeakPolarHBondContact OE2-CB 3.37Å; E806-L826 PolarHBondContact OE2-N 2.99Å; E806-Y857 HydrophobicContact CB-CD1 4.43Å; E806-Y857 HydrophobicContact CB-CE1 3.86Å; E806-Y857 HydrophobicContact CG-CD1 4.27Å; E806-Y857 HydrophobicContact CG-CE1 4.18Å
807	F	70	Confident	70	Confident	85 Å²	85	51.7 Å²	51.7	37%	0.373	26%	0.257	S	S	.	.	H	α-helix	trans	-70.4	-45.5	-179.1	179.8	-104.3	0	0	0	110.9	H457 Q804 L805 L809 T810 N811	H457-F807 AromaticContact CE1-CZ 3.93Å; H457-F807 AromaticContact ND1-CZ 3.79Å; Q804-F807 PolarHBondContact O-N 3.13Å; Q804-F807 VanDerWaalsContact O-N 3.09Å; L805-F807 PolarHBondContact O-N 3.44Å; F807-L809 PolarHBondContact O-N 3.07Å; F807-T810 PolarHBondContact O-N 3.32Å; F807-N811 WeakPolarHBondContact CE1-ND2 3.43Å; F807-N811 WeakPolarHBondContact CZ-ND2 3.43Å; F807-N811 PolarHBondContact O-N 3.39Å; F807-N811 PolarHBondContact O-OD1 3.42Å
808	L	71.3	Confident	70.1	Confident	73 Å²	73	51.3 Å²	51.3	38%	0.382	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-46.3	178.2	-63.7	175	0	0	0	112	L462 Q804 F812	L462-L808 HydrophobicContact CD2-CD2 3.86Å; Q804-L808 PolarHBondContact O-N 2.88Å; L808-F812 WeakPolarHBondContact O-CB 3.34Å; L808-F812 PolarHBondContact O-N 3.04Å; L808-F812 VanDerWaalsContact O-N 3.11Å
809	L	78	Confident	70.1	Confident	36 Å²	36	53.6 Å²	53.6	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-70.2	-35	178.1	-66.3	171	0	0	0	112.2	L771 I773 L805 F807 F812 L813 L824 Y857	L771-L809 HydrophobicContact CD2-CD1 3.99Å; I773-L809 HydrophobicContact CD1-CD1 3.7Å; L805-L809 HydrophobicContact CD1-CD1 4.15Å; L805-L809 HydrophobicContact CD1-CG 4.01Å; L805-L809 HydrophobicContact CD2-CD1 4.31Å; L805-L809 HydrophobicContact CG-CD1 3.76Å; L805-L809 HydrophobicContact CG-CG 4.11Å; L805-L809 WeakPolarHBondContact O-CB 3.49Å; L805-L809 VanDerWaalsContact O-CG 3.26Å; L805-L809 WeakPolarHBondContact O-CG 3.32Å; L805-L809 PolarHBondContact O-N 3.27Å; F807-L809 PolarHBondContact O-N 3.07Å; L809-F812 PolarHBondContact O-N 3.04Å; L809-L813 WeakPolarHBondContact O-CG 3.35Å; L809-L813 PolarHBondContact O-N 2.7Å; L809-L824 HydrophobicContact CB-CD1 3.58Å; L809-L824 HydrophobicContact CD1-CD1 4.38Å; L809-Y857 HydrophobicContact CD1-CD2 4.46Å; L809-Y857 HydrophobicContact CD1-CE2 4.25Å
810	T	75.7	Confident	69.8	Low	17 Å²	17	61.8 Å²	61.8	10%	0.104	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-50.8	174.9	-67.3	0	0	0	0	111.4	E806 F807 F812 L813 A814 R823 L824	E806-T810 VanDerWaalsContact O-CB 3.28Å; E806-T810 WeakPolarHBondContact O-CB 3.27Å; E806-T810 PolarHBondContact O-N 3.18Å; E806-T810 PolarHBondContact O-OG1 2.83Å; F807-T810 PolarHBondContact O-N 3.32Å; T810-F812 VanDerWaalsContact C-N 3.27Å; T810-F812 PolarHBondContact O-N 3.48Å; T810-L813 PolarHBondContact O-N 2.89Å; T810-A814 PolarHBondContact O-N 3.28Å; T810-R823 HydrophobicContact CG2-CB 4.07Å; T810-R823 HydrophobicContact CG2-CG 4.05Å; T810-L824 PolarHBondContact OG1-N 3.04Å; T810-L824 PolarHBondContact OG1-O 3.17Å
811	N	68.9	Low	69.8	Low	30 Å²	30	62.9 Å²	62.9	16%	0.16	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-35.5	179.9	-64.3	6.6	0	0	0	111.4	L456 F807 H815	L456-N811 PolarHBondContact O-ND2 2.84Å; F807-N811 WeakPolarHBondContact CE1-ND2 3.43Å; F807-N811 WeakPolarHBondContact CZ-ND2 3.43Å; F807-N811 PolarHBondContact O-N 3.39Å; F807-N811 PolarHBondContact O-OD1 3.42Å; N811-H815 WeakPolarHBondContact O-CB 3.34Å; N811-H815 PolarHBondContact O-N 2.73Å
812	F	70.7	Confident	70.1	Confident	114 Å²	114	62.2 Å²	62.2	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-42.5	174.5	-178.1	-109.1	0	0	0	112.9	L808 L809 T810 H815 L816	L808-F812 WeakPolarHBondContact O-CB 3.34Å; L808-F812 PolarHBondContact O-N 3.04Å; L808-F812 VanDerWaalsContact O-N 3.11Å; L809-F812 PolarHBondContact O-N 3.04Å; T810-F812 VanDerWaalsContact C-N 3.27Å; T810-F812 PolarHBondContact O-N 3.48Å; F812-H815 PolarHBondContact O-N 3Å; F812-L816 HydrophobicContact CD1-CD1 3.96Å; F812-L816 HydrophobicContact CE1-CD1 3.44Å; F812-L816 VanDerWaalsContact CE1-CD1 3.44Å; F812-L816 HydrophobicContact CE1-CG 4.32Å; F812-L816 HydrophobicContact CE2-CD1 4.3Å; F812-L816 HydrophobicContact CE2-CG 4.39Å; F812-L816 HydrophobicContact CZ-CD1 3.64Å; F812-L816 HydrophobicContact CZ-CG 4.2Å; F812-L816 WeakPolarHBondContact O-CG 3.38Å; F812-L816 PolarHBondContact O-N 2.91Å
813	L	70.4	Confident	70.2	Confident	40 Å²	40	66.7 Å²	66.7	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-45.5	174.3	-70.5	176.2	0	0	0	112.1	L809 T810 H815 L816 F817 L824	L809-L813 WeakPolarHBondContact O-CG 3.35Å; L809-L813 PolarHBondContact O-N 2.7Å; T810-L813 PolarHBondContact O-N 2.89Å; L813-H815 PolarHBondContact O-N 3.45Å; L813-L816 PolarHBondContact O-N 2.83Å; L813-F817 HydrophobicContact CD2-CD2 4.27Å; L813-F817 HydrophobicContact CD2-CE2 3.78Å; L813-F817 WeakPolarHBondContact O-CD2 3.44Å; L813-F817 PolarHBondContact O-N 2.87Å; L813-L824 HydrophobicContact CD1-CD1 3.5Å; L813-L824 VanDerWaalsContact CD1-CD1 3.5Å; L813-L824 HydrophobicContact CD1-CD2 4.29Å; L813-L824 HydrophobicContact CD1-CG 3.64Å; L813-L824 HydrophobicContact CG-CD1 4.45Å
814	A	69.3	Low	70.7	Confident	23 Å²	23	65.4 Å²	65.4	19%	0.19	33%	0.334	C	S	.	.	H	α-helix	trans	-57.3	-38.6	176.7	0	0	0	0	0	111.4	T810 G818 Q819	T810-A814 PolarHBondContact O-N 3.28Å; A814-G818 CarbonylContact O-C 3.58Å; A814-G818 VanDerWaalsContact O-CA 3.27Å; A814-G818 WeakPolarHBondContact O-CA 3.37Å; A814-G818 PolarHBondContact O-N 3.02Å; A814-Q819 PolarHBondContact O-N 3.05Å
815	H	64.2	Low	71.1	Confident	93 Å²	93	60 Å²	60	43%	0.431	31%	0.309	S	S	.	.	H	α-helix	trans	-66.2	-49.3	174.2	-170.3	46.3	0	0	0	113.5	P459 N811 F812 L813 F817	P459-H815 HydrophobicContact CB-CB 3.79Å; P459-H815 HydrophobicContact CG-CB 3.64Å; P459-H815 VanDerWaalsContact CG-CG 3.4Å; P459-H815 WeakPolarHBondContact CG-ND1 3.19Å; N811-H815 WeakPolarHBondContact O-CB 3.34Å; N811-H815 PolarHBondContact O-N 2.73Å; F812-H815 PolarHBondContact O-N 3Å; L813-H815 PolarHBondContact O-N 3.45Å; H815-F817 VanDerWaalsContact C-N 3.35Å; H815-F817 PolarHBondContact O-N 3.26Å
816	L	66.3	Low	71.5	Confident	99 Å²	99	58.3 Å²	58.3	52%	0.518	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-37.5	-177	-78.1	178.9	0	0	0	113.3	F812 L813	F812-L816 HydrophobicContact CD1-CD1 3.96Å; F812-L816 HydrophobicContact CE1-CD1 3.44Å; F812-L816 VanDerWaalsContact CE1-CD1 3.44Å; F812-L816 HydrophobicContact CE1-CG 4.32Å; F812-L816 HydrophobicContact CE2-CD1 4.3Å; F812-L816 HydrophobicContact CE2-CG 4.39Å; F812-L816 HydrophobicContact CZ-CD1 3.64Å; F812-L816 HydrophobicContact CZ-CG 4.2Å; F812-L816 WeakPolarHBondContact O-CG 3.38Å; F812-L816 PolarHBondContact O-N 2.91Å; L813-L816 PolarHBondContact O-N 2.83Å
817	F	69.8	Low	72.1	Confident	122 Å²	122	58.1 Å²	58.1	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-104.1	-3.7	-174.4	-62.2	-70.3	0	0	0	113.7	L813 H815 Q819	L813-F817 HydrophobicContact CD2-CD2 4.27Å; L813-F817 HydrophobicContact CD2-CE2 3.78Å; L813-F817 WeakPolarHBondContact O-CD2 3.44Å; L813-F817 PolarHBondContact O-N 2.87Å; H815-F817 VanDerWaalsContact C-N 3.35Å; H815-F817 PolarHBondContact O-N 3.26Å; F817-Q819 HydrophobicContact CB-CB 4.33Å; F817-Q819 PolarHBondContact O-N 3.41Å
818	G	58.1	Low	72.9	Confident	71 Å²	71	54.3 Å²	54.3	73%	0.732	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	21.9	-175.5	0	0	0	0	0	113.7	A814	A814-G818 CarbonylContact O-C 3.58Å; A814-G818 VanDerWaalsContact O-CA 3.27Å; A814-G818 WeakPolarHBondContact O-CA 3.37Å; A814-G818 PolarHBondContact O-N 3.02Å
819	Q	62.7	Low	73.6	Confident	67 Å²	67	50.9 Å²	50.9	31%	0.313	27%	0.267	S	S	.	.			trans	-125.7	89.6	-165.6	-171.3	174.9	5.9	0	0	111.9	A814 F817 S821 C822	A814-Q819 PolarHBondContact O-N 3.05Å; F817-Q819 HydrophobicContact CB-CB 4.33Å; F817-Q819 PolarHBondContact O-N 3.41Å; Q819-S821 VanDerWaalsContact CG-OG 3.25Å; Q819-S821 WeakPolarHBondContact CG-OG 3.25Å; Q819-S821 PolarHBondContact NE2-OG 2.73Å; Q819-S821 PolarHBondContact O-N 3.47Å; Q819-S821 VanDerWaalsContact O-N 3.16Å; Q819-C822 PolarHBondContact O-N 3.25Å
820	E	64.8	Low	73.8	Confident	185 Å²	185	51.1 Å²	51.1	86%	0.864	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.1	178.3	-62.3	-178	176.4	0	0	114.1	C822	E820-C822 PolarHBondContact O-N 3.15Å
821	S	69.7	Low	73.6	Confident	32 Å²	32	51.9 Å²	51.9	22%	0.224	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.4	175	71.6	0	0	0	0	113.2	Q819 I861 N862	Q819-S821 VanDerWaalsContact CG-OG 3.25Å; Q819-S821 WeakPolarHBondContact CG-OG 3.25Å; Q819-S821 PolarHBondContact NE2-OG 2.73Å; Q819-S821 PolarHBondContact O-N 3.47Å; Q819-S821 VanDerWaalsContact O-N 3.16Å; S821-I861 CarbonylContact O-C 3.58Å; S821-I861 VanDerWaalsContact O-CA 3.28Å; S821-I861 WeakPolarHBondContact O-CA 3.46Å; S821-N862 PolarHBondContact O-N 3.14Å
822	C	72.6	Confident	73.6	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.054	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.1	-174.5	-65.2	0	0	0	0	112.6	Q819 E820 L859	Q819-C822 PolarHBondContact O-N 3.25Å; E820-C822 PolarHBondContact O-N 3.15Å; C822-L859 HydrophobicContact CB-CD1 4.19Å
823	R	77.3	Confident	73.1	Confident	95 Å²	95	51.5 Å²	51.5	36%	0.358	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.4	174.9	173.4	167.5	179.8	170.1	0.1	111.5	Y764 E806 T810 I825 A860	Y764-R823 HydrophobicContact CE1-CB 4.36Å; E806-R823 IonicContact OE1-CZ 3.83Å; E806-R823 IonicContact OE1-NE 3.4Å; E806-R823 PolarHBondContact OE1-NE 2.03Å; E806-R823 IonicContact OE1-NH2 3.29Å; E806-R823 PolarHBondContact OE1-NH2 3.42Å; T810-R823 HydrophobicContact CG2-CB 4.07Å; T810-R823 HydrophobicContact CG2-CG 4.05Å; R823-I825 HydrophobicContact CG-CG1 4.04Å; R823-A860 PolarHBondContact N-O 3.08Å; R823-A860 PolarHBondContact O-N 2.91Å
824	L	81.9	Confident	72.3	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.3	162.8	-74.8	167.6	0	0	0	109.6	L771 E806 L809 T810 L813 Y857 L858 L859	L771-L824 HydrophobicContact CB-CD2 4.18Å; L771-L824 HydrophobicContact CD2-CD1 3.73Å; E806-L824 WeakPolarHBondContact CG-O 3.46Å; L809-L824 HydrophobicContact CB-CD1 3.58Å; L809-L824 HydrophobicContact CD1-CD1 4.38Å; T810-L824 PolarHBondContact OG1-N 3.04Å; T810-L824 PolarHBondContact OG1-O 3.17Å; L813-L824 HydrophobicContact CD1-CD1 3.5Å; L813-L824 VanDerWaalsContact CD1-CD1 3.5Å; L813-L824 HydrophobicContact CD1-CD2 4.29Å; L813-L824 HydrophobicContact CD1-CG 3.64Å; L813-L824 HydrophobicContact CG-CD1 4.45Å; L824-Y857 HydrophobicContact CB-CD1 4.43Å; L824-L858 WeakPolarHBondContact CA-O 3.06Å; L824-L859 HydrophobicContact CD2-CB 4.29Å
825	I	81.7	Confident	71.2	Confident	16 Å²	16	58 Å²	58	8%	0.082	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.1	176.7	-54.7	175.7	0	0	0	108.4	V757 L760 R823 S827 Y857 L858 A860	V757-I825 HydrophobicContact CB-CG2 4.44Å; V757-I825 HydrophobicContact CG1-CB 4.17Å; V757-I825 HydrophobicContact CG1-CD1 3.84Å; V757-I825 HydrophobicContact CG1-CG2 4.07Å; V757-I825 HydrophobicContact CG2-CB 4.49Å; V757-I825 HydrophobicContact CG2-CG2 4Å; L760-I825 HydrophobicContact CD1-CD1 4.1Å; R823-I825 HydrophobicContact CG-CG1 4.04Å; I825-S827 PolarHBondContact O-N 3.41Å; I825-Y857 CarbonylContact O-C 3.58Å; I825-Y857 WeakPolarHBondContact O-CA 3.35Å; I825-L858 PolarHBondContact N-O 2.9Å; I825-L858 PolarHBondContact O-N 2.89Å; I825-A860 HydrophobicContact CD1-CB 3.78Å; I825-A860 HydrophobicContact CG1-CB 4.39Å
826	L	84.4	Confident	70.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	123.3	175.3	-179.9	60.2	0	0	0	109.2	C755 I802 V803 E806 L855 Y857	C755-L826 WeakPolarHBondContact CB-O 3.38Å; I802-L826 HydrophobicContact CG2-CD2 4.26Å; V803-L826 HydrophobicContact CG2-CD2 4.42Å; E806-L826 WeakPolarHBondContact OE2-CB 3.37Å; E806-L826 PolarHBondContact OE2-N 2.99Å; L826-L855 HydrophobicContact CD1-CB 4.47Å; L826-L855 HydrophobicContact CD1-CD2 3.66Å; L826-Y857 HydrophobicContact CB-CD1 4.01Å; L826-Y857 HydrophobicContact CB-CE1 3.79Å; L826-Y857 HydrophobicContact CD1-CD1 4.3Å; L826-Y857 HydrophobicContact CD1-CE1 3.94Å; L826-Y857 HydrophobicContact CD1-CE2 4.41Å; L826-Y857 HydrophobicContact CG-CE1 4.4Å
827	S	86.5	Confident	69.3	Low	10 Å²	10	63.8 Å²	63.8	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-29.8	-174.1	71.5	0	0	0	0	113.4	C755 I825 E856	C755-S827 PolarHBondContact N-O 3.14Å; I825-S827 PolarHBondContact O-N 3.41Å; S827-E856 WeakPolarHBondContact CA-O 3.29Å; S827-E856 WeakPolarHBondContact CB-O 3.49Å; S827-E856 PolarHBondContact N-O 3.26Å; S827-E856 PolarHBondContact OG-O 2.85Å
828	A	86.7	Confident	67.9	Low	5 Å²	5	65.8 Å²	65.8	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.8	170	0	0	0	0	0	113.1	V753 Q830 E856	V753-A828 CarbonylContact O-C 3.56Å; V753-A828 VanDerWaalsContact O-CA 3.24Å; V753-A828 WeakPolarHBondContact O-CA 3.29Å; A828-Q830 HydrophobicContact CB-CG 4.44Å; A828-E856 HydrophobicContact CB-CB 4.15Å; A828-E856 HydrophobicContact CB-CG 4.15Å; A828-E856 PolarHBondContact N-O 2.96Å; A828-E856 PolarHBondContact O-N 2.72Å
829	Y	85.2	Confident	66.9	Low	1 Å²	1	67.3 Å²	67.3	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.3	162.3	170.4	-99	0	0	0	109	L738 V753 F775 Y799 I802 K853 R854 L855	L738-Y829 VanDerWaalsContact CD1-CB 3.5Å; L738-Y829 HydrophobicContact CD1-CD1 3.54Å; L738-Y829 HydrophobicContact CD1-CD2 4.39Å; L738-Y829 HydrophobicContact CD1-CE1 4.33Å; L738-Y829 HydrophobicContact CD1-CG 3.56Å; V753-Y829 PolarHBondContact N-O 2.63Å; V753-Y829 PolarHBondContact O-N 3.05Å; F775-Y829 HydrophobicContact CZ-CE2 4.01Å; Y799-Y829 AromaticContact CE1-CE1 3.81Å; Y799-Y829 HydrophobicContact CE1-CE1 3.81Å; Y799-Y829 HydrophobicContact CE1-CE2 4.33Å; Y799-Y829 AromaticContact CE1-CZ 3.68Å; Y799-Y829 PolarHBondContact OH-OH 3.03Å; I802-Y829 HydrophobicContact CD1-CE2 4.24Å; Y829-K853 HydrophobicContact CE2-CB 3.83Å; Y829-K853 HydrophobicContact CE2-CD 4.29Å; Y829-K853 HydrophobicContact CE2-CG 4.18Å; Y829-K853 VanDerWaalsContact OH-CD 3.22Å; Y829-K853 WeakPolarHBondContact OH-CD 3.47Å; Y829-K853 WeakPolarHBondContact OH-CE 3.31Å; Y829-K853 WeakPolarHBondContact OH-CG 3.17Å; Y829-R854 VanDerWaalsContact CA-O 3.32Å; Y829-R854 WeakPolarHBondContact CA-O 3.36Å; Y829-L855 HydrophobicContact CD2-CD2 3.66Å; Y829-L855 HydrophobicContact CD2-CG 4.22Å; Y829-L855 HydrophobicContact CG-CD2 4.32Å
830	Q	82.9	Confident	65.9	Low	41 Å²	41	73.5 Å²	73.5	19%	0.192	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.1	-171.9	-64.5	170.7	41.2	0	0	111.8	H752 A828 K853 R854 E856	H752-Q830 HydrophobicContact CB-CG 4.5Å; A828-Q830 HydrophobicContact CB-CG 4.44Å; Q830-K853 WeakPolarHBondContact O-CA 3.3Å; Q830-R854 PolarHBondContact N-O 3.48Å; Q830-R854 PolarHBondContact O-N 2.97Å; Q830-E856 PolarHBondContact NE2-OE1 3.44Å
831	T	71.7	Confident	64.9	Low	32 Å²	32	72.9 Å²	72.9	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122	172.7	-51.9	0	0	0	0	109.4	L851 K853	T831-L851 HydrophobicContact CG2-CD2 4.04Å; T831-K853 HydrophobicContact CG2-CD 4.1Å; T831-K853 PolarHBondContact OG1-NZ 2.99Å
832	I	69.8	Low	63.5	Low	30 Å²	30	79.1 Å²	79.1	15%	0.154	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.1	176.9	-60	174.8	0	0	0	107.9	D834 L852 R854	I832-D834 PolarHBondContact O-N 2.86Å; I832-L852 HydrophobicContact CB-CB 3.98Å; I832-L852 HydrophobicContact CG2-CB 4.46Å; I832-L852 PolarHBondContact N-O 3.26Å; I832-R854 HydrophobicContact CD1-CB 3.95Å; I832-R854 HydrophobicContact CG1-CB 4.48Å
833	D	58.9	Low	61.6	Low	107 Å²	107	83.8 Å²	83.8	57%	0.572	41%	0.405	S	S	*	.			trans	-78.3	116	169.8	-172.9	29	0	0	0	109.3	K835	D833-K835 PolarHBondContact O-N 3.31Å; D833-K835 IonicContact OD2-NZ 3.69Å
834	D	52.8	Low	59.6	Low	40 Å²	40	84.3 Å²	84.3	21%	0.214	42%	0.423	C	S	.	.			trans	-86.1	41.6	-156.4	-160.8	15.8	0	0	0	114.4	I832 W838 K850	I832-D834 PolarHBondContact O-N 2.86Å; D834-W838 VanDerWaalsContact OD2-CD1 3.23Å; D834-K850 WeakPolarHBondContact CB-O 3.31Å
835	K	47.1	Very low	57.5	Low	160 Å²	160	91.9 Å²	91.9	70%	0.696	46%	0.464	S	S	*	.	S	Bend	trans	-83.9	-12.9	-179.8	-80.8	176.8	-179.2	153.4	0	115	D833	D833-K835 PolarHBondContact O-N 3.31Å; D833-K835 IonicContact OD2-NZ 3.69Å
836	H	47	Very low	55.2	Low	169 Å²	169	96.4 Å²	96.4	78%	0.782	50%	0.497	S	S	*	.	S	Bend	trans	-132.8	-17.6	-172.9	-85.2	-56	0	0	0	116.6
837	F	44.7	Very low	52.9	Low	144 Å²	144	103.6 Å²	103.6	63%	0.632	54%	0.536	S	S	*	.	S	Bend	trans	-80.7	-44.2	-170	-138.4	-102.5	0	0	0	113.2	S839	F837-S839 VanDerWaalsContact C-N 3.33Å; F837-S839 PolarHBondContact O-N 3.43Å
838	W	38.7	Very low	50.7	Low	164 Å²	164	107.2 Å²	107.2	62%	0.621	56%	0.561	S	S	*	*	S	Bend	trans	-78	-6.9	-178.8	-78.5	90.7	0	0	0	116	D834 K840	D834-W838 VanDerWaalsContact OD2-CD1 3.23Å; W838-K840 PolarHBondContact O-N 3.09Å
839	S	36.9	Very low	48.7	Very low	103 Å²	103	115.2 Å²	115.2	72%	0.72	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	7.5	-174.1	-169.6	0	0	0	0	115.7	F837	F837-S839 VanDerWaalsContact C-N 3.33Å; F837-S839 PolarHBondContact O-N 3.43Å
840	K	43.6	Very low	47.2	Very low	197 Å²	197	119.7 Å²	119.7	86%	0.857	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	1.1	-167.8	-101.9	-174.8	177.2	-179.3	0	117.9	W838	W838-K840 PolarHBondContact O-N 3.09Å
841	Q	43.4	Very low	45.9	Very low	172 Å²	172	122.4 Å²	122.4	80%	0.804	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	-25.8	-178.3	-125.6	166.6	5.4	0	0	119.4
842	H	39.4	Very low	45.6	Very low	163 Å²	163	122.1 Å²	122.1	76%	0.755	64%	0.635	S	S	*	*			trans	-134.9	133.5	173.3	-80.8	-72.8	0	0	0	114
843	S	34.1	Very low	45.9	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	63%	0.632	S	S	*	*			trans	-80.7	153.8	-173.8	177.9	0	0	0	0	113
844	S	34.2	Very low	47.1	Very low	106 Å²	106	118.6 Å²	118.6	74%	0.741	61%	0.612	S	S	*	*			trans	53.2	69	150.3	56.8	0	0	0	0	117.2
845	N	38.6	Very low	48.6	Very low	163 Å²	163	116.7 Å²	116.7	87%	0.872	60%	0.602	S	S	*	*			trans	-150.9	100.3	136.4	-132.5	-20.6	0	0	0	112	N847	N845-N847 PolarHBondContact O-N 2.68Å; N845-N847 VanDerWaalsContact O-N 3.14Å
846	S	33	Very low	50.5	Low	111 Å²	111	110 Å²	110	78%	0.776	57%	0.573	S	S	*	*			trans	-84.5	81.5	-175.9	56.4	0	0	0	0	111.8
847	N	36.2	Very low	52.3	Low	153 Å²	153	102 Å²	102	82%	0.818	54%	0.536	S	S	*	.			trans	-168.6	85.9	162	-101.7	-31.5	0	0	0	113.6	N845	N845-N847 PolarHBondContact O-N 2.68Å; N845-N847 VanDerWaalsContact O-N 3.14Å
848	S	41	Very low	54.2	Low	85 Å²	85	96.3 Å²	96.3	59%	0.594	51%	0.512	S	S	*	.			trans	172.6	130.2	133.2	40.9	0	0	0	0	111.4	K850	S848-K850 PolarHBondContact O-N 3.05Å
849	N	44.1	Very low	56.3	Low	173 Å²	173	89.5 Å²	89.5	93%	0.925	49%	0.488	S	S	*	.			trans	-72.7	96.4	164	-64.4	-3.5	0	0	0	107.5
850	K	52.4	Low	58.2	Low	95 Å²	95	84.6 Å²	84.6	41%	0.413	45%	0.453	S	S	.	.			trans	-89	114	176.3	-76.9	-176.6	170	-124.8	0	109.7	D776 D834 S848 L852	D776-K850 WeakPolarHBondContact OD2-CE 3.38Å; D776-K850 IonicContact OD2-NZ 3.65Å; D776-K850 PolarHBondContact OD2-NZ 3.47Å; D834-K850 WeakPolarHBondContact CB-O 3.31Å; S848-K850 PolarHBondContact O-N 3.05Å; K850-L852 PolarHBondContact O-N 3.05Å
851	L	56.9	Low	59.6	Low	98 Å²	98	77.1 Å²	77.1	51%	0.513	42%	0.422	S	S	.	.			trans	-72.1	94.4	169	-75.3	164.2	0	0	0	108.6	T831	T831-L851 HydrophobicContact CG2-CD2 4.04Å
852	L	65	Low	60.7	Low	26 Å²	26	71 Å²	71	14%	0.136	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.2	168.5	-80	165.1	0	0	0	109.3	F775 I832 K850	F775-L852 WeakPolarHBondContact O-CA 3.27Å; I832-L852 HydrophobicContact CB-CB 3.98Å; I832-L852 HydrophobicContact CG2-CB 4.46Å; I832-L852 PolarHBondContact N-O 3.26Å; K850-L852 PolarHBondContact O-N 3.05Å
853	K	77.1	Confident	61.6	Low	20 Å²	20	68.6 Å²	68.6	9%	0.087	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.1	170.8	-60	-61.9	-171.4	156.7	0	108.8	D774 F775 V777 Y829 Q830 T831	D774-K853 CarbonylContact C-O 3.52Å; D774-K853 WeakPolarHBondContact CA-O 3.06Å; F775-K853 HydrophobicContact CD1-CB 4.41Å; F775-K853 HydrophobicContact CD2-CB 3.92Å; F775-K853 HydrophobicContact CD2-CG 4.45Å; F775-K853 HydrophobicContact CE1-CB 4.06Å; F775-K853 HydrophobicContact CE2-CB 3.55Å; F775-K853 HydrophobicContact CE2-CG 3.95Å; F775-K853 HydrophobicContact CG-CB 4.38Å; F775-K853 HydrophobicContact CZ-CB 3.65Å; F775-K853 HydrophobicContact CZ-CG 4.37Å; F775-K853 PolarHBondContact N-O 2.05Å; F775-K853 PolarHBondContact O-N 3.48Å; V777-K853 HydrophobicContact CG2-CD 4.28Å; V777-K853 HydrophobicContact CG2-CG 3.49Å; V777-K853 VanDerWaalsContact CG2-CG 3.49Å; Y829-K853 HydrophobicContact CE2-CB 3.83Å; Y829-K853 HydrophobicContact CE2-CD 4.29Å; Y829-K853 HydrophobicContact CE2-CG 4.18Å; Y829-K853 VanDerWaalsContact OH-CD 3.22Å; Y829-K853 WeakPolarHBondContact OH-CD 3.47Å; Y829-K853 WeakPolarHBondContact OH-CE 3.31Å; Y829-K853 WeakPolarHBondContact OH-CG 3.17Å; Q830-K853 WeakPolarHBondContact O-CA 3.3Å; T831-K853 HydrophobicContact CG2-CD 4.1Å; T831-K853 PolarHBondContact OG1-NZ 2.99Å
854	R	83.3	Confident	62.5	Low	43 Å²	43	68 Å²	68	16%	0.162	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133	176.6	174.8	168	-71.8	164.6	4.3	110	I773 D774 Y829 Q830 I832 E856	I773-R854 WeakPolarHBondContact O-CA 2.98Å; D774-R854 VanDerWaalsContact OD1-CB 3.3Å; D774-R854 WeakPolarHBondContact OD1-CB 3.48Å; D774-R854 WeakPolarHBondContact OD1-CG 3.42Å; D774-R854 IonicContact OD1-CZ 3.41Å; D774-R854 IonicContact OD1-NE 2.71Å; D774-R854 PolarHBondContact OD1-NE 2.91Å; D774-R854 IonicContact OD1-NH2 3.28Å; D774-R854 PolarHBondContact OD1-NH2 3.38Å; D774-R854 IonicContact OD2-CZ 3.63Å; D774-R854 IonicContact OD2-NE 3.67Å; D774-R854 IonicContact OD2-NH2 2.73Å; D774-R854 PolarHBondContact OD2-NH2 3.19Å; Y829-R854 VanDerWaalsContact CA-O 3.32Å; Y829-R854 WeakPolarHBondContact CA-O 3.36Å; Q830-R854 PolarHBondContact N-O 3.48Å; Q830-R854 PolarHBondContact O-N 2.97Å; I832-R854 HydrophobicContact CD1-CB 3.95Å; I832-R854 HydrophobicContact CG1-CB 4.48Å; R854-E856 HydrophobicContact CG-CG 3.89Å
855	L	84.6	Confident	63	Low	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134	158.4	-68.3	162.5	0	0	0	109	L772 I773 F775 I802 L805 L826 Y829 Y857	L772-L855 WeakPolarHBondContact CA-O 3.41Å; I773-L855 HydrophobicContact CB-CB 4.37Å; I773-L855 PolarHBondContact N-O 2.6Å; I773-L855 PolarHBondContact O-N 2.96Å; F775-L855 HydrophobicContact CE1-CD1 3.75Å; F775-L855 HydrophobicContact CE1-CG 3.95Å; I802-L855 HydrophobicContact CG1-CD1 4.28Å; I802-L855 HydrophobicContact CG2-CD1 4.05Å; I802-L855 HydrophobicContact CG2-CD2 3.42Å; I802-L855 VanDerWaalsContact CG2-CD2 3.42Å; I802-L855 HydrophobicContact CG2-CG 4.38Å; L805-L855 HydrophobicContact CD2-CD1 4.28Å; L826-L855 HydrophobicContact CD1-CB 4.47Å; L826-L855 HydrophobicContact CD1-CD2 3.66Å; Y829-L855 HydrophobicContact CD2-CD2 3.66Å; Y829-L855 HydrophobicContact CD2-CG 4.22Å; Y829-L855 HydrophobicContact CG-CD2 4.32Å; L855-Y857 HydrophobicContact CB-CD2 4.22Å; L855-Y857 HydrophobicContact CB-CE2 3.65Å; L855-Y857 HydrophobicContact CD1-CE2 4.1Å; L855-Y857 HydrophobicContact CG-CE2 4.37Å
856	E	86.3	Confident	62.8	Low	21 Å²	21	65.8 Å²	65.8	10%	0.098	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.1	171.1	-50.8	-163.6	-172	0	0	109	K770 L772 S827 A828 Q830 R854	K770-E856 IonicContact NZ-OE2 2.73Å; K770-E856 PolarHBondContact NZ-OE2 3.42Å; L772-E856 HydrophobicContact CD2-CB 4.03Å; L772-E856 HydrophobicContact CD2-CG 3.67Å; S827-E856 WeakPolarHBondContact CA-O 3.29Å; S827-E856 WeakPolarHBondContact CB-O 3.49Å; S827-E856 PolarHBondContact N-O 3.26Å; S827-E856 PolarHBondContact OG-O 2.85Å; A828-E856 HydrophobicContact CB-CB 4.15Å; A828-E856 HydrophobicContact CB-CG 4.15Å; A828-E856 PolarHBondContact N-O 2.96Å; A828-E856 PolarHBondContact O-N 2.72Å; Q830-E856 PolarHBondContact NE2-OE1 3.44Å; R854-E856 HydrophobicContact CG-CG 3.89Å
857	Y	86.1	Confident	62.9	Low	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.5	170.2	-63.3	-92.8	0	0	0	109.6	K770 L771 I773 I802 E806 L809 L824 I825 L826 L855	K770-Y857 CarbonylContact C-O 3.56Å; K770-Y857 VanDerWaalsContact CA-O 3.31Å; K770-Y857 WeakPolarHBondContact CA-O 3.1Å; L771-Y857 PolarHBondContact N-O 2.95Å; L771-Y857 PolarHBondContact O-N 3.36Å; I773-Y857 HydrophobicContact CD1-CD2 4.24Å; I773-Y857 HydrophobicContact CD1-CE2 3.98Å; I802-Y857 PolarHBondContact O-OH 3.39Å; E806-Y857 HydrophobicContact CB-CD1 4.43Å; E806-Y857 HydrophobicContact CB-CE1 3.86Å; E806-Y857 HydrophobicContact CG-CD1 4.27Å; E806-Y857 HydrophobicContact CG-CE1 4.18Å; L809-Y857 HydrophobicContact CD1-CD2 4.46Å; L809-Y857 HydrophobicContact CD1-CE2 4.25Å; L824-Y857 HydrophobicContact CB-CD1 4.43Å; I825-Y857 CarbonylContact O-C 3.58Å; I825-Y857 WeakPolarHBondContact O-CA 3.35Å; L826-Y857 HydrophobicContact CB-CD1 4.01Å; L826-Y857 HydrophobicContact CB-CE1 3.79Å; L826-Y857 HydrophobicContact CD1-CD1 4.3Å; L826-Y857 HydrophobicContact CD1-CE1 3.94Å; L826-Y857 HydrophobicContact CD1-CE2 4.41Å; L826-Y857 HydrophobicContact CG-CE1 4.4Å; L855-Y857 HydrophobicContact CB-CD2 4.22Å; L855-Y857 HydrophobicContact CB-CE2 3.65Å; L855-Y857 HydrophobicContact CD1-CE2 4.1Å; L855-Y857 HydrophobicContact CG-CE2 4.37Å
858	L	83.6	Confident	62.9	Low	25 Å²	25	68 Å²	68	13%	0.131	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.3	173	-85.6	166.7	0	0	0	109.9	V757 V766 K770 L824 I825	V757-L858 HydrophobicContact CG2-CD1 4.04Å; V766-L858 HydrophobicContact CG1-CB 4.14Å; V766-L858 HydrophobicContact CG1-CD1 4.12Å; V766-L858 HydrophobicContact CG1-CD2 4.01Å; V766-L858 HydrophobicContact CG1-CG 4.33Å; K770-L858 HydrophobicContact CD-CD2 4.43Å; K770-L858 HydrophobicContact CG-CD2 3.57Å; K770-L858 HydrophobicContact CG-CG 4.21Å; L824-L858 WeakPolarHBondContact CA-O 3.06Å; I825-L858 PolarHBondContact N-O 2.9Å; I825-L858 PolarHBondContact O-N 2.89Å
859	L	81.8	Confident	62.6	Low	20 Å²	20	71.1 Å²	71.1	11%	0.105	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.9	173.3	176.5	66.5	0	0	0	110.1	T767 Y769 C822 L824 F876	T767-L859 WeakPolarHBondContact CB-O 3.07Å; T767-L859 HydrophobicContact CG2-CD2 4.4Å; T767-L859 HydrophobicContact CG2-CG 4.22Å; T767-L859 PolarHBondContact N-O 3.06Å; T767-L859 WeakPolarHBondContact OG1-CB 3.46Å; T767-L859 PolarHBondContact OG1-O 2.93Å; Y769-L859 HydrophobicContact CD2-CD2 4.36Å; Y769-L859 PolarHBondContact O-N 3.42Å; C822-L859 HydrophobicContact CB-CD1 4.19Å; L824-L859 HydrophobicContact CD2-CB 4.29Å; L859-F876 HydrophobicContact CD2-CE1 4.49Å
860	A	76.7	Confident	62.2	Low	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.6	178.8	0	0	0	0	0	110.7	Y764 F765 V766 R823 I825	Y764-A860 HydrophobicContact CD1-CB 4.43Å; F765-A860 CarbonylContact O-C 3.55Å; F765-A860 WeakPolarHBondContact O-CA 3.4Å; V766-A860 HydrophobicContact CG2-CB 4.35Å; R823-A860 PolarHBondContact N-O 3.08Å; R823-A860 PolarHBondContact O-N 2.91Å; I825-A860 HydrophobicContact CD1-CB 3.78Å; I825-A860 HydrophobicContact CG1-CB 4.39Å
861	I	73.8	Confident	61.3	Low	40 Å²	40	74.3 Å²	74.3	21%	0.205	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.7	-176	-64.8	179.5	0	0	0	109.8	Y764 F765 T767 S821	Y764-I861 CarbonylContact C-O 3.52Å; Y764-I861 WeakPolarHBondContact CA-O 3.42Å; F765-I861 PolarHBondContact N-O 3.21Å; F765-I861 PolarHBondContact O-N 3.26Å; T767-I861 HydrophobicContact CG2-CB 4.37Å; T767-I861 HydrophobicContact CG2-CD1 3.48Å; T767-I861 VanDerWaalsContact CG2-CD1 3.48Å; T767-I861 HydrophobicContact CG2-CG1 3.59Å; S821-I861 CarbonylContact O-C 3.58Å; S821-I861 VanDerWaalsContact O-CA 3.28Å; S821-I861 WeakPolarHBondContact O-CA 3.46Å
862	N	67.4	Low	60.1	Low	44 Å²	44	79.4 Å²	79.4	24%	0.235	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.6	176.1	-166.4	-13.4	0	0	0	110.9	Q763 Y764 S821 D864	Q763-N862 CarbonylContact O-C 3.58Å; Q763-N862 VanDerWaalsContact O-CA 3.29Å; Q763-N862 WeakPolarHBondContact O-CA 3.43Å; Q763-N862 PolarHBondContact O-OD1 2.04Å; Y764-N862 HydrophobicContact CD1-CB 4.02Å; Y764-N862 HydrophobicContact CE1-CB 3.73Å; S821-N862 PolarHBondContact O-N 3.14Å; N862-D864 WeakPolarHBondContact OD1-CB 3.16Å; N862-D864 PolarHBondContact OD1-N 3.35Å
863	L	56.9	Low	58.5	Low	113 Å²	113	83.8 Å²	83.8	59%	0.592	45%	0.447	S	S	*	.			trans	-93.2	-8.5	-179.3	-74.3	164.9	0	0	0	113.7	Q763 F765 T865	Q763-L863 PolarHBondContact O-N 2.99Å; F765-L863 HydrophobicContact CB-CD1 4.15Å; F765-L863 HydrophobicContact CB-CD2 4.23Å; F765-L863 HydrophobicContact CB-CG 4.12Å; L863-T865 PolarHBondContact O-N 2.76Å
864	D	53.3	Low	56.4	Low	92 Å²	92	87.8 Å²	87.8	49%	0.492	48%	0.477	S	S	.	.			trans	-71.8	87.3	-171.7	-80.3	-35.5	0	0	0	113.9	Q763 N862	Q763-D864 PolarHBondContact NE2-OD2 3.2Å; N862-D864 WeakPolarHBondContact OD1-CB 3.16Å; N862-D864 PolarHBondContact OD1-N 3.35Å
865	T	45	Very low	54.1	Low	116 Å²	116	92 Å²	92	71%	0.712	51%	0.508	S	S	*	.	S	Bend	trans	83.6	139.1	146.2	71.8	0	0	0	0	121.1	L863	L863-T865 PolarHBondContact O-N 2.76Å
866	S	34.2	Very low	51.7	Low	107 Å²	107	95.7 Å²	95.7	75%	0.748	52%	0.523	S	S	*	.			trans	80.8	28.5	157	76.3	0	0	0	0	121.7
867	F	35.8	Very low	49.1	Very low	196 Å²	196	102 Å²	102	86%	0.86	56%	0.555	S	S	*	*			trans	-119.7	127	151.8	-84.8	-83.8	0	0	0	112
868	P	36.4	Very low	46.5	Very low	114 Å²	114	114.7 Å²	114.7	74%	0.74	61%	0.614	S	S	*	*			trans	-69.5	144.7	178	29.2	-34	0	0	0	111.1	E870	P868-E870 PolarHBondContact O-N 2.72Å
869	T	33	Very low	44.6	Very low	150 Å²	150	119.2 Å²	119.2	92%	0.92	64%	0.638	S	S	*	*	S	Bend	trans	-78.6	54.1	-170.7	52.1	0	0	0	0	113.5
870	E	36.2	Very low	42.7	Very low	174 Å²	174	124.4 Å²	124.4	81%	0.813	67%	0.666	S	S	*	*			trans	-142.1	44.3	-171.5	-140.8	162.5	-114.2	0	0	114.5	P868	P868-E870 PolarHBondContact O-N 2.72Å
871	N	33.8	Very low	40.8	Very low	161 Å²	161	131.3 Å²	131.3	86%	0.861	70%	0.703	S	S	*	*			trans	-158.2	100.7	147.8	-105.9	-41.3	0	0	0	112.6
872	K	31.4	Very low	38.8	Very low	205 Å²	205	136.6 Å²	136.6	89%	0.891	73%	0.732	S	S	*	*			trans	-86.4	100.2	168.1	-73.6	178.9	177.5	173.5	0	110.2
873	T	32.7	Very low	37	Very low	119 Å²	119	142.4 Å²	142.4	73%	0.73	76%	0.763	S	S	*	*			trans	-168.5	124.9	146.1	17.8	0	0	0	0	113.6
874	S	31.3	Very low	35.7	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	77%	0.774	S	S	*	*			trans	41.6	85.2	144.3	62.4	0	0	0	0	120.6
875	V	35.9	Very low	34.5	Very low	133 Å²	133	148.1 Å²	148.1	81%	0.806	80%	0.795	S	S	*	*	S	Bend	trans	-136	30.7	148.5	-153.3	0	0	0	0	112.2
876	F	33.3	Very low	33.7	Very low	76 Å²	76	150.6 Å²	150.6	33%	0.333	80%	0.801	S	S	.	*	S	Bend	trans	-132.4	46.7	170.7	-89.7	-77	0	0	0	110.9	L859	L859-F876 HydrophobicContact CD2-CE1 4.49Å
877	M	32.1	Very low	33.6	Very low	154 Å²	154	154.3 Å²	154.3	76%	0.759	81%	0.805	S	S	*	*			trans	-151.1	85.2	168.8	-85.6	-164.5	163.4	0	0	110.1
878	H	31.5	Very low	33.4	Very low	266 Å²	266	150.5 Å²	150.5	100%	1.231	80%	0.801	S	S	*	*			trans	-159.2	0	135.9	-116.8	-51.1	0	0	0	112.9

Retrieved 878 of 878 residues in 291.8 ms (Link to these results)

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