A0A3Q0KNS3_SCHMA Loading...

4.1 G protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KNS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,047 aa.

						>A0A3Q0KNS3_SCHMA|A0A3Q0KNS3
MTSLTEKFISSFRTCGLKTCTSTSRPGSTHAYVKNVHKPLTLIYQAYLGIKYYPPDPTIIADEQTRYQIFIQVRNDLISGRMQVDENLFVTLCGLILQSDCGDYGADRLGSNYVKQLLKLPNLNEQLEERIKIKHEDCRCRQPALVEYQLLDKVKQLSTYGQINFHIKETISNTACQLCLGPSGVSIEDSRKNLIQFSWPHITGFSHKHKQILIKILNEGTRFTYRCSVDNSETCNSLLETCKNYLNFYRNEISQRIINEPHQSIVDTNSCSNSAVQPICYTNSSLDKTESPFIGNELNSPKSNYPIHVTDSVQPVAVVDEINNCKFNRNPRPLYSSLIEFNPGYLVKSPVPSNINTIHDSKCTTDSCDFHHHHYHHPSSHYCFDTNVNDSCSHQCYHPTAIPMNPYHVRGTSGVFYRPRGCETVTDIGDHPHIYANRRSHCPKYNHARLIMNDPNELKSKNRRRSFPKTKHYFIEEDFDEDQFLQKHSSLCPTLYTDNCQSSQCRSNSVARSSAYREFHQLDTILPITTSSFKSSFHGRPASRGVPRQSHRILPRPVSRLDRYPERCSSPVTTDDSQDTIENYENHDANNLHEVEIKKHNNMNNNHIFPKISGKLVTNKDKCKVNHALEASVAQSSTLNNLPNKNKLDKETHELIQIRSNEQDMQQIACNSPRDCHMNSSSRRIVNRKSPISSSPRPPVSIIKSNLPLNSCGSNGKPSHQSNSSWYPTKCTINKDDNVFVRHHDHQHPNALDFSHTRRRDDDKEEIISNIDDDNNNDSNENEEDSQGLTDLEHGLFNMHQYATTVNPGTTPTDSSFCSSSMYCVEESETPSLLKNSDINSELCESICTSLIEFQLPPTPSSSHNQDRTIANGRVEESNSDSNLPSPPSNDFLHQLRKYKLDNEKQMLESNLENVNCTLTVVENTSNDTGFCSRSKNKRGRRLPLLPYERSMPKSIHSDRSIIVSPMATATSTSSSSSKTTTTGRTESMKINRPNVTQFLSPTLSPRMSKIIVDHQKLSSPCTNPMQEINETEILLHPDEISECDLV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	46	Very low	152 Å²	152	99.8 Å²	99.8	75%	0.749	54%	0.544	S	S	*	.				0	-82.8	0	-57.5	-44.9	-88.6	0	0	112.4	S3 L4 T5 L48	M1-S3 PolarHBondContact O-N 3.4Å; M1-S3 VanDerWaalsContact O-N 3.13Å; M1-L4 WeakPolarHBondContact O-CA 3.18Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.2Å; M1-T5 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-OG1 3.07Å; M1-L48 HydrophobicContact CE-CD2 4.11Å
2	T	40.8	Very low	45.8	Very low	111 Å²	111	100 Å²	100	68%	0.681	54%	0.536	S	S	*	.	H	α-helix	trans	-44.8	-49.6	-172.7	39.2	0	0	0	0	115.8	L4 T5 E6	T2-L4 PolarHBondContact O-N 3.46Å; T2-T5 WeakPolarHBondContact CA-OG1 3.22Å; T2-T5 PolarHBondContact O-N 2.88Å; T2-T5 VanDerWaalsContact O-N 3.17Å; T2-T5 PolarHBondContact O-OG1 3.17Å; T2-E6 WeakPolarHBondContact O-CG 3.45Å; T2-E6 PolarHBondContact O-N 3.3Å
3	S	39.5	Very low	45.3	Very low	69 Å²	69	105.8 Å²	105.8	48%	0.483	55%	0.545	S	S	.	.	H	α-helix	trans	-64.6	-23.4	179.1	-174.5	0	0	0	0	114.5	M1 E6 K7	M1-S3 PolarHBondContact O-N 3.4Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-E6 WeakPolarHBondContact CA-OE2 3.37Å; S3-K7 WeakPolarHBondContact O-CG 3.31Å; S3-K7 PolarHBondContact O-N 3.16Å; S3-K7 VanDerWaalsContact O-N 3.17Å
4	L	45	Very low	45.3	Very low	85 Å²	85	105.9 Å²	105.9	45%	0.445	55%	0.554	S	S	.	*	H	α-helix	trans	-77.1	-41.9	173.1	-67.5	169.5	0	0	0	111.1	M1 T2 E6 K7 F8	M1-L4 WeakPolarHBondContact O-CA 3.18Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.2Å; T2-L4 PolarHBondContact O-N 3.46Å; L4-E6 VanDerWaalsContact C-N 3.34Å; L4-K7 PolarHBondContact O-N 3.41Å; L4-F8 WeakPolarHBondContact O-CB 3.46Å; L4-F8 PolarHBondContact O-N 3.44Å
5	T	51.6	Low	45	Very low	82 Å²	82	105.9 Å²	105.9	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-64	-38.1	172.8	25.7	0	0	0	0	111.9	M1 T2 F8 I9	M1-T5 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-OG1 3.07Å; T2-T5 WeakPolarHBondContact CA-OG1 3.22Å; T2-T5 PolarHBondContact O-N 2.88Å; T2-T5 VanDerWaalsContact O-N 3.17Å; T2-T5 PolarHBondContact O-OG1 3.17Å; T5-F8 PolarHBondContact O-N 2.65Å; T5-I9 WeakPolarHBondContact O-CB 3.32Å; T5-I9 WeakPolarHBondContact O-CD1 3.46Å; T5-I9 VanDerWaalsContact O-CG1 3.22Å; T5-I9 WeakPolarHBondContact O-CG1 3.31Å; T5-I9 PolarHBondContact O-N 2.94Å
6	E	48.1	Very low	44.7	Very low	129 Å²	129	103.6 Å²	103.6	60%	0.603	57%	0.574	S	S	*	*	H	α-helix	trans	-60.9	-46	173	-72.2	173.5	149.4	0	0	112.1	T2 S3 L4 I9 S10	T2-E6 WeakPolarHBondContact O-CG 3.45Å; T2-E6 PolarHBondContact O-N 3.3Å; S3-E6 WeakPolarHBondContact CA-OE2 3.37Å; L4-E6 VanDerWaalsContact C-N 3.34Å; E6-I9 PolarHBondContact O-N 3.31Å; E6-S10 WeakPolarHBondContact O-CB 3.41Å; E6-S10 PolarHBondContact O-N 2.61Å
7	K	48.9	Very low	44.2	Very low	134 Å²	134	104.6 Å²	104.6	58%	0.583	58%	0.577	S	S	*	*	H	α-helix	trans	-62.9	-42.9	175.4	-77.2	-179.2	176.9	-168.5	0	112.6	S3 L4 S10 S11	S3-K7 WeakPolarHBondContact O-CG 3.31Å; S3-K7 PolarHBondContact O-N 3.16Å; S3-K7 VanDerWaalsContact O-N 3.17Å; L4-K7 PolarHBondContact O-N 3.41Å; K7-S10 WeakPolarHBondContact O-CB 3.45Å; K7-S10 PolarHBondContact O-N 3.45Å; K7-S11 PolarHBondContact O-N 3.42Å
8	F	45.9	Very low	43.5	Very low	98 Å²	98	105.3 Å²	105.3	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-60.5	-51.4	177	-168.8	-91.8	0	0	0	110.9	L4 T5 S10 S11 F12	L4-F8 WeakPolarHBondContact O-CB 3.46Å; L4-F8 PolarHBondContact O-N 3.44Å; T5-F8 PolarHBondContact O-N 2.65Å; F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 3Å; F8-S11 PolarHBondContact O-N 3.1Å; F8-F12 HydrophobicContact CD1-CD2 4.08Å; F8-F12 HydrophobicContact CD1-CE2 4.21Å; F8-F12 HydrophobicContact CD2-CE2 4.33Å; F8-F12 AromaticContact CE1-CD2 3.88Å; F8-F12 HydrophobicContact CE1-CD2 3.88Å; F8-F12 AromaticContact CE1-CE2 3.67Å; F8-F12 HydrophobicContact CE1-CE2 3.67Å; F8-F12 AromaticContact CE2-CE2 3.82Å; F8-F12 HydrophobicContact CE2-CE2 3.82Å; F8-F12 HydrophobicContact CZ-CD2 4.14Å; F8-F12 AromaticContact CZ-CE2 3.46Å; F8-F12 HydrophobicContact CZ-CE2 3.46Å; F8-F12 VanDerWaalsContact CZ-CE2 3.46Å; F8-F12 HydrophobicContact CZ-CZ 4.23Å; F8-F12 WeakPolarHBondContact O-CD2 3.49Å; F8-F12 PolarHBondContact O-N 2.77Å
9	I	54.7	Low	43.1	Very low	85 Å²	85	103.5 Å²	103.5	44%	0.436	57%	0.566	S	S	.	*	H	α-helix	trans	-60.5	-37	176.4	-68	165.2	0	0	0	111.4	T5 E6 R13	T5-I9 WeakPolarHBondContact O-CB 3.32Å; T5-I9 WeakPolarHBondContact O-CD1 3.46Å; T5-I9 VanDerWaalsContact O-CG1 3.22Å; T5-I9 WeakPolarHBondContact O-CG1 3.31Å; T5-I9 PolarHBondContact O-N 2.94Å; E6-I9 PolarHBondContact O-N 3.31Å; I9-R13 WeakPolarHBondContact O-CB 3.34Å; I9-R13 VanDerWaalsContact O-CG 3.24Å; I9-R13 WeakPolarHBondContact O-CG 3.31Å; I9-R13 PolarHBondContact O-N 3.19Å; I9-R13 VanDerWaalsContact O-N 3.13Å
10	S	49.4	Very low	42.3	Very low	72 Å²	72	104.3 Å²	104.3	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-64.1	-46.2	175.7	-166.1	0	0	0	0	112.3	E6 K7 F8 F12 R13 T14	E6-S10 WeakPolarHBondContact O-CB 3.41Å; E6-S10 PolarHBondContact O-N 2.61Å; K7-S10 WeakPolarHBondContact O-CB 3.45Å; K7-S10 PolarHBondContact O-N 3.45Å; F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 3Å; S10-F12 PolarHBondContact O-N 3.48Å; S10-R13 PolarHBondContact O-N 3.39Å; S10-T14 PolarHBondContact O-N 3.03Å; S10-T14 PolarHBondContact O-OG1 2.79Å
11	S	47.1	Very low	41.7	Very low	81 Å²	81	104.8 Å²	104.8	57%	0.566	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-35.7	-176.9	-161.5	0	0	0	0	113	K7 F8 T14	K7-S11 PolarHBondContact O-N 3.42Å; F8-S11 PolarHBondContact O-N 3.1Å; S11-T14 PolarHBondContact O-OG1 2.98Å
12	F	44.1	Very low	41.8	Very low	102 Å²	102	102.3 Å²	102.3	45%	0.447	58%	0.582	S	S	.	*	H	α-helix	trans	-74.6	-34.3	173.4	-82.1	-85.7	0	0	0	113	F8 S10 T14 C15 G16	F8-F12 HydrophobicContact CD1-CD2 4.08Å; F8-F12 HydrophobicContact CD1-CE2 4.21Å; F8-F12 HydrophobicContact CD2-CE2 4.33Å; F8-F12 AromaticContact CE1-CD2 3.88Å; F8-F12 HydrophobicContact CE1-CD2 3.88Å; F8-F12 AromaticContact CE1-CE2 3.67Å; F8-F12 HydrophobicContact CE1-CE2 3.67Å; F8-F12 AromaticContact CE2-CE2 3.82Å; F8-F12 HydrophobicContact CE2-CE2 3.82Å; F8-F12 HydrophobicContact CZ-CD2 4.14Å; F8-F12 AromaticContact CZ-CE2 3.46Å; F8-F12 HydrophobicContact CZ-CE2 3.46Å; F8-F12 VanDerWaalsContact CZ-CE2 3.46Å; F8-F12 HydrophobicContact CZ-CZ 4.23Å; F8-F12 WeakPolarHBondContact O-CD2 3.49Å; F8-F12 PolarHBondContact O-N 2.77Å; S10-F12 PolarHBondContact O-N 3.48Å; F12-T14 VanDerWaalsContact C-N 3.27Å; F12-T14 PolarHBondContact O-N 3.15Å; F12-C15 PolarHBondContact O-N 3.4Å; F12-C15 VanDerWaalsContact O-N 3.12Å; F12-G16 PolarHBondContact O-N 3.39Å
13	R	39.5	Very low	41.5	Very low	175 Å²	175	103.8 Å²	103.8	66%	0.66	59%	0.591	S	S	*	*	H	α-helix	trans	-63.3	-30.1	176.4	-80.6	175.2	180	-169.6	1.9	113.3	I9 S10 C15	I9-R13 WeakPolarHBondContact O-CB 3.34Å; I9-R13 VanDerWaalsContact O-CG 3.24Å; I9-R13 WeakPolarHBondContact O-CG 3.31Å; I9-R13 PolarHBondContact O-N 3.19Å; I9-R13 VanDerWaalsContact O-N 3.13Å; S10-R13 PolarHBondContact O-N 3.39Å; R13-C15 VanDerWaalsContact C-N 3.33Å
14	T	44.5	Very low	41.4	Very low	108 Å²	108	105.9 Å²	105.9	66%	0.663	61%	0.605	S	S	*	*	H	α-helix	trans	-73.4	-21.3	174.8	34.4	0	0	0	0	113.8	S10 S11 F12	S10-T14 PolarHBondContact O-N 3.03Å; S10-T14 PolarHBondContact O-OG1 2.79Å; S11-T14 PolarHBondContact O-OG1 2.98Å; F12-T14 VanDerWaalsContact C-N 3.27Å; F12-T14 PolarHBondContact O-N 3.15Å
15	C	40.9	Very low	40.9	Very low	106 Å²	106	112.5 Å²	112.5	72%	0.716	62%	0.624	S	S	*	*	H	α-helix	trans	-91.7	-39.7	-178.4	-151.5	0	0	0	0	112.6	F12 R13 L17	F12-C15 PolarHBondContact O-N 3.4Å; F12-C15 VanDerWaalsContact O-N 3.12Å; R13-C15 VanDerWaalsContact C-N 3.33Å; C15-L17 PolarHBondContact O-N 3.15Å
16	G	40.7	Very low	40	Very low	69 Å²	69	115.1 Å²	115.1	71%	0.711	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	15.1	-172.9	0	0	0	0	0	117.6	F12	F12-G16 PolarHBondContact O-N 3.39Å
17	L	35.4	Very low	39.4	Very low	121 Å²	121	112.3 Å²	112.3	63%	0.634	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.5	19.2	-166.2	-94.1	169.9	0	0	0	117	C15 T19	C15-L17 PolarHBondContact O-N 3.15Å; L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 3.3Å
18	K	33.1	Very low	38.8	Very low	116 Å²	116	110.7 Å²	110.7	50%	0.504	65%	0.654	S	S	.	*			trans	-73.1	83.9	166.5	-67.7	-170.5	-178.2	-174.9	0	110.3	C20 E481	K18-C20 PolarHBondContact O-N 2.9Å; K18-E481 VanDerWaalsContact CE-OE1 3.3Å; K18-E481 WeakPolarHBondContact CE-OE1 3.31Å; K18-E481 IonicContact NZ-OE1 2.68Å; K18-E481 PolarHBondContact NZ-OE1 2.88Å; K18-E481 IonicContact NZ-OE2 3.64Å
19	T	34.3	Very low	38.2	Very low	71 Å²	71	113 Å²	113	44%	0.436	68%	0.676	S	S	.	*			trans	-65.9	113.8	178.4	58.4	0	0	0	0	110.5	L17 T21 R512	L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 3.3Å; T19-T21 VanDerWaalsContact C-N 3.32Å; T19-T21 PolarHBondContact O-N 3.03Å; T19-R512 PolarHBondContact OG1-NH2 2.6Å; T19-R512 VanDerWaalsContact OG1-NH2 3.07Å
20	C	28.3	Very low	37.4	Very low	119 Å²	119	117 Å²	117	80%	0.804	69%	0.693	S	S	*	*			trans	-64.7	83.3	179.1	-50.8	0	0	0	0	111.9	K18 S22	K18-C20 PolarHBondContact O-N 2.9Å; C20-S22 PolarHBondContact O-N 2.88Å
21	T	30.2	Very low	36.6	Very low	115 Å²	115	118 Å²	118	71%	0.706	71%	0.705	S	S	*	*			trans	-87.5	49.9	173.8	53.6	0	0	0	0	111.2	T19 T23	T19-T21 VanDerWaalsContact C-N 3.32Å; T19-T21 PolarHBondContact O-N 3.03Å; T21-T23 PolarHBondContact O-N 2.96Å
22	S	36.8	Very low	35.9	Very low	100 Å²	100	124.4 Å²	124.4	70%	0.699	72%	0.718	S	S	*	*			trans	-78	114.8	171.9	40.9	0	0	0	0	109.7	C20 S24	C20-S22 PolarHBondContact O-N 2.88Å; S22-S24 PolarHBondContact O-N 2.7Å; S22-S24 VanDerWaalsContact O-N 3.07Å
23	T	33.8	Very low	35.7	Very low	143 Å²	143	124.6 Å²	124.6	88%	0.877	73%	0.728	S	S	*	*			trans	-77.8	92.5	-173.5	49.7	0	0	0	0	111.8	T21	T21-T23 PolarHBondContact O-N 2.96Å
24	S	36.7	Very low	35.6	Very low	112 Å²	112	125 Å²	125	78%	0.783	73%	0.734	S	S	*	*			trans	-67.8	141.2	169.4	52.1	0	0	0	0	111.4	S22	S22-S24 PolarHBondContact O-N 2.7Å; S22-S24 VanDerWaalsContact O-N 3.07Å
25	R	35.8	Very low	35.3	Very low	225 Å²	225	124.8 Å²	124.8	85%	0.849	73%	0.729	S	S	*	*			trans	-66.4	137.3	-173.1	-70.5	177.5	174.1	167.2	-1.9	111.9	G27	R25-G27 PolarHBondContact O-N 2.95Å; R25-G27 VanDerWaalsContact O-N 3.12Å
26	P	32.7	Very low	35.4	Very low	137 Å²	137	125.9 Å²	125.9	89%	0.89	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	104.4	165.9	30	-32	0	0	0	109.4
27	G	35	Very low	35.7	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.1	-28.9	177.2	0	0	0	0	0	116.9	R25 T29	R25-G27 PolarHBondContact O-N 2.95Å; R25-G27 VanDerWaalsContact O-N 3.12Å; G27-T29 PolarHBondContact O-N 3.08Å
28	S	36.5	Very low	36.3	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	74%	0.735	S	S	*	*			trans	-86.1	110.7	178.2	46	0	0	0	0	111.9	H30	S28-H30 PolarHBondContact O-N 2.88Å
29	T	33	Very low	37.1	Very low	146 Å²	146	131.6 Å²	131.6	90%	0.896	75%	0.745	S	S	*	*			trans	-78.1	66.3	174	52	0	0	0	0	111.7	G27	G27-T29 PolarHBondContact O-N 3.08Å
30	H	37	Very low	37.9	Very low	171 Å²	171	135.6 Å²	135.6	79%	0.792	76%	0.763	S	S	*	*			trans	-93.5	134.8	167.5	-92.7	-101.1	0	0	0	111.1	S28 Y32	S28-H30 PolarHBondContact O-N 2.88Å; H30-Y32 PolarHBondContact O-N 3.24Å
31	A	33.5	Very low	39.4	Very low	91 Å²	91	135.2 Å²	135.2	75%	0.752	76%	0.757	S	S	*	*			trans	-68.4	116.7	-174.2	0	0	0	0	0	111.2	V33	A31-V33 PolarHBondContact O-N 3.35Å
32	Y	32.6	Very low	41.2	Very low	217 Å²	217	135.4 Å²	135.4	85%	0.851	75%	0.753	S	S	*	*			trans	-76.5	86	-178.9	-153.4	-83.4	0	0	0	110.7	H30 K34	H30-Y32 PolarHBondContact O-N 3.24Å; Y32-K34 PolarHBondContact O-N 2.96Å
33	V	40.1	Very low	43.2	Very low	106 Å²	106	137.3 Å²	137.3	64%	0.642	75%	0.754	S	S	*	*			trans	-59.9	119.8	174.2	-178.5	0	0	0	0	108.7	A31 N35	A31-V33 PolarHBondContact O-N 3.35Å; V33-N35 WeakPolarHBondContact CG1-OD1 3.42Å; V33-N35 PolarHBondContact O-N 3.21Å
34	K	37.5	Very low	45.4	Very low	184 Å²	184	138.1 Å²	138.1	80%	0.8	74%	0.742	S	S	*	*			trans	-78.2	63	-178.7	-73.5	-175.3	174.7	178.2	0	112.1	Y32 V36	Y32-K34 PolarHBondContact O-N 2.96Å; K34-V36 VanDerWaalsContact C-N 3.28Å; K34-V36 PolarHBondContact O-N 3.02Å
35	N	38.4	Very low	47.6	Very low	102 Å²	102	140.9 Å²	140.9	55%	0.545	74%	0.742	S	S	.	*			trans	-72.4	88	165.7	-75.4	2.7	0	0	0	108.8	V33 H37	V33-N35 WeakPolarHBondContact CG1-OD1 3.42Å; V33-N35 PolarHBondContact O-N 3.21Å; N35-H37 PolarHBondContact O-CD2 3.36Å; N35-H37 PolarHBondContact O-N 2.87Å
36	V	41.4	Very low	50	Low	129 Å²	129	134 Å²	134	78%	0.782	73%	0.734	S	S	*	*			trans	-75.6	74.8	173.5	-173.8	0	0	0	0	108.4	K34 K38	K34-V36 VanDerWaalsContact C-N 3.28Å; K34-V36 PolarHBondContact O-N 3.02Å; V36-K38 PolarHBondContact O-N 3.13Å
37	H	48.1	Very low	52.5	Low	131 Å²	131	137.4 Å²	137.4	61%	0.606	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-57.7	121.7	168.4	-69.5	-88	0	0	0	108.3	N35	N35-H37 PolarHBondContact O-CD2 3.36Å; N35-H37 PolarHBondContact O-N 2.87Å
38	K	47.5	Very low	55.1	Low	186 Å²	186	138.1 Å²	138.1	81%	0.809	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.9	137.8	167.5	-71.2	176.4	179.8	171.1	0	107.8	V36 L40	V36-K38 PolarHBondContact O-N 3.13Å; K38-L40 PolarHBondContact O-N 3.43Å
39	P	49.3	Very low	57.7	Low	109 Å²	109	134.9 Å²	134.9	71%	0.708	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-59.6	124.4	171.7	25.7	-33	0	0	0	108.9	T41	P39-T41 VanDerWaalsContact C-N 3.29Å; P39-T41 PolarHBondContact O-N 2.71Å
40	L	51.7	Low	60.5	Low	155 Å²	155	129.3 Å²	129.3	81%	0.812	66%	0.664	S	S	*	*			trans	-71	87.5	173.8	-70.6	172.7	0	0	0	108.8	K38 L42	K38-L40 PolarHBondContact O-N 3.43Å; L40-L42 PolarHBondContact O-N 3.19Å
41	T	59.5	Low	63.1	Low	111 Å²	111	124.7 Å²	124.7	68%	0.681	64%	0.642	S	S	*	*			trans	-70.7	91.1	173.6	50.8	0	0	0	0	109.5	P39 I43	P39-T41 VanDerWaalsContact C-N 3.29Å; P39-T41 PolarHBondContact O-N 2.71Å; T41-I43 PolarHBondContact O-N 2.86Å
42	L	67.7	Low	66	Low	120 Å²	120	121.3 Å²	121.3	63%	0.628	61%	0.61	S	S	*	*			trans	-59.8	118.3	166.8	-99.2	76.3	0	0	0	109.1	L40 Y44	L40-L42 PolarHBondContact O-N 3.19Å; L42-Y44 HydrophobicContact CB-CE2 3.96Å; L42-Y44 HydrophobicContact CD2-CE1 4.26Å; L42-Y44 HydrophobicContact CD2-CE2 4.35Å; L42-Y44 WeakPolarHBondContact CD2-OH 3.47Å
43	I	79	Confident	68.9	Low	140 Å²	140	111.5 Å²	111.5	72%	0.718	57%	0.571	S	S	*	*			trans	-96.4	101.5	173.8	-58.8	177.2	0	0	0	107.4	T41 Q45	T41-I43 PolarHBondContact O-N 2.86Å; I43-Q45 HydrophobicContact CG2-CG 4.43Å; I43-Q45 PolarHBondContact O-N 2.85Å
44	Y	80.2	Confident	71.3	Confident	159 Å²	159	107.1 Å²	107.1	62%	0.624	55%	0.545	S	S	*	.			trans	-76.4	119.8	172.4	-64.5	-83	0	0	0	109.9	L42	L42-Y44 HydrophobicContact CB-CE2 3.96Å; L42-Y44 HydrophobicContact CD2-CE1 4.26Å; L42-Y44 HydrophobicContact CD2-CE2 4.35Å; L42-Y44 WeakPolarHBondContact CD2-OH 3.47Å
45	Q	83.9	Confident	73.9	Confident	170 Å²	170	100.6 Å²	100.6	79%	0.794	52%	0.521	S	S	*	.			trans	-100.8	129.4	170.6	-63.2	-174.4	2	0	0	109.2	I43	I43-Q45 HydrophobicContact CG2-CG 4.43Å; I43-Q45 PolarHBondContact O-N 2.85Å
46	A	84.7	Confident	76.5	Confident	82 Å²	82	97.8 Å²	97.8	68%	0.678	51%	0.507	S	S	*	.			trans	-135.3	135.7	174.4	0	0	0	0	0	108.9
47	Y	86.8	Confident	78.9	Confident	207 Å²	207	91.7 Å²	91.7	81%	0.812	47%	0.469	S	S	*	.			trans	-105.2	155.5	175.1	59.9	-88.2	0	0	0	110.4
48	L	89.2	Confident	81	Confident	85 Å²	85	86.3 Å²	86.3	45%	0.445	45%	0.446	S	S	.	.			trans	-90.1	136.7	166.1	-176.4	65.8	0	0	0	108.2	M1 I339	M1-L48 HydrophobicContact CE-CD2 4.11Å; L48-I339 HydrophobicContact CD1-CD1 4.17Å
49	G	90.7	Very high	83	Confident	31 Å²	31	79.6 Å²	79.6	32%	0.32	42%	0.418	S	S	.	.			trans	-160.5	163.6	176.2	0	0	0	0	0	111.1	Q72	G49-Q72 VanDerWaalsContact CA-OE1 3.24Å
50	I	92.3	Very high	84.8	Confident	30 Å²	30	75.7 Å²	75.7	15%	0.154	39%	0.391	C	S	.	.			trans	-85.1	115.6	-179.3	-53.7	-61.8	0	0	0	109.7	Y52 Y53 I69 Q72	I50-Y52 WeakPolarHBondContact CG2-O 3.45Å; I50-Y53 HydrophobicContact CB-CD1 4.5Å; I50-Y53 HydrophobicContact CB-CE1 4.13Å; I50-Y53 HydrophobicContact CB-CE2 4.22Å; I50-Y53 HydrophobicContact CG2-CD1 4.07Å; I50-Y53 HydrophobicContact CG2-CD2 3.99Å; I50-Y53 HydrophobicContact CG2-CE1 4.19Å; I50-Y53 HydrophobicContact CG2-CE2 4.09Å; I50-Y53 HydrophobicContact CG2-CG 3.94Å; I50-Y53 WeakPolarHBondContact O-CE2 3.3Å; I50-I69 HydrophobicContact CD1-CG1 4.05Å; I50-I69 HydrophobicContact CG1-CG1 4.39Å; I50-Q72 HydrophobicContact CB-CG 3.93Å; I50-Q72 HydrophobicContact CG1-CB 3.76Å; I50-Q72 HydrophobicContact CG1-CG 3.71Å
51	K	91.8	Very high	86.4	Confident	73 Å²	73	71.5 Å²	71.5	32%	0.317	38%	0.379	S	S	.	.	S	Bend	trans	-77.9	-40.4	175	-175.3	-177.6	176.7	-170.6	0	112.2	Y245 E340	K51-Y245 PolarHBondContact O-OH 3.17Å; K51-Y245 VanDerWaalsContact O-OH 3.07Å; K51-E340 IonicContact NZ-OE2 3Å; K51-E340 PolarHBondContact NZ-OE2 2.79Å
52	Y	93	Very high	87.8	Confident	20 Å²	20	68.8 Å²	68.8	8%	0.078	36%	0.361	C	S	.	.	S	Bend	trans	-130.9	120.6	178.8	-47.5	-67.3	0	0	0	109.2	I50 Y245 F248	I50-Y52 WeakPolarHBondContact CG2-O 3.45Å; Y52-Y245 HydrophobicContact CD1-CD2 4.26Å; Y52-Y245 HydrophobicContact CD1-CE2 4.08Å; Y52-Y245 AromaticContact CE1-CD2 3.89Å; Y52-Y245 HydrophobicContact CE1-CD2 3.89Å; Y52-Y245 AromaticContact CE1-CE2 3.92Å; Y52-Y245 HydrophobicContact CE1-CE2 3.92Å; Y52-Y245 HydrophobicContact CE1-CG 4.43Å; Y52-F248 VanDerWaalsContact CB-CE1 3.4Å; Y52-F248 HydrophobicContact CD1-CB 4.1Å; Y52-F248 HydrophobicContact CD1-CD1 4.1Å; Y52-F248 HydrophobicContact CD1-CD2 4.46Å; Y52-F248 AromaticContact CD1-CG 3.94Å; Y52-F248 HydrophobicContact CD1-CG 3.94Å; Y52-F248 HydrophobicContact CD2-CB 4.31Å; Y52-F248 HydrophobicContact CD2-CD1 4.1Å; Y52-F248 AromaticContact CD2-CD2 3.28Å; Y52-F248 HydrophobicContact CD2-CD2 3.28Å; Y52-F248 HydrophobicContact CD2-CE1 4.29Å; Y52-F248 AromaticContact CD2-CE2 3.49Å; Y52-F248 HydrophobicContact CD2-CE2 3.49Å; Y52-F248 VanDerWaalsContact CD2-CE2 3.49Å; Y52-F248 AromaticContact CD2-CG 3.61Å; Y52-F248 HydrophobicContact CD2-CG 3.61Å; Y52-F248 HydrophobicContact CD2-CZ 4.01Å; Y52-F248 HydrophobicContact CE1-CB 3.98Å; Y52-F248 HydrophobicContact CE1-CG 4.24Å; Y52-F248 HydrophobicContact CE2-CB 4.19Å; Y52-F248 AromaticContact CE2-CD2 3.53Å; Y52-F248 HydrophobicContact CE2-CD2 3.53Å; Y52-F248 HydrophobicContact CE2-CE2 4.13Å; Y52-F248 AromaticContact CE2-CG 3.91Å; Y52-F248 HydrophobicContact CE2-CG 3.91Å; Y52-F248 HydrophobicContact CG-CB 4.25Å; Y52-F248 AromaticContact CG-CD1 3.7Å; Y52-F248 HydrophobicContact CG-CD1 3.7Å; Y52-F248 AromaticContact CG-CD2 3.78Å; Y52-F248 HydrophobicContact CG-CD2 3.78Å; Y52-F248 AromaticContact CG-CE1 3.96Å; Y52-F248 HydrophobicContact CG-CE1 3.96Å; Y52-F248 HydrophobicContact CG-CE2 4.02Å; Y52-F248 AromaticContact CG-CG 3.6Å; Y52-F248 HydrophobicContact CG-CG 3.6Å; Y52-F248 HydrophobicContact CG-CZ 4.12Å
53	Y	93.8	Very high	88.9	Confident	11 Å²	11	66.6 Å²	66.6	4%	0.043	35%	0.347	C	S	.	.			trans	-84.1	136.3	-179.4	-64.8	-107.8	0	0	0	109.2	I50 Q72 D76 Y160 G161 Y249	I50-Y53 HydrophobicContact CB-CD1 4.5Å; I50-Y53 HydrophobicContact CB-CE1 4.13Å; I50-Y53 HydrophobicContact CB-CE2 4.22Å; I50-Y53 HydrophobicContact CG2-CD1 4.07Å; I50-Y53 HydrophobicContact CG2-CD2 3.99Å; I50-Y53 HydrophobicContact CG2-CE1 4.19Å; I50-Y53 HydrophobicContact CG2-CE2 4.09Å; I50-Y53 HydrophobicContact CG2-CG 3.94Å; I50-Y53 WeakPolarHBondContact O-CE2 3.3Å; Y53-Q72 HydrophobicContact CE1-CG 3.72Å; Y53-Q72 VanDerWaalsContact OH-CD 3.31Å; Y53-Q72 WeakPolarHBondContact OH-CG 3.38Å; Y53-Q72 PolarHBondContact OH-NE2 3.14Å; Y53-D76 PolarHBondContact OH-OD2 3.43Å; Y53-D76 VanDerWaalsContact OH-OD2 3.04Å; Y53-Y160 HydrophobicContact CD1-CE2 4.03Å; Y53-G161 VanDerWaalsContact CG-CA 3.43Å; Y53-Y249 PolarHBondContact N-OH 3.2Å; Y53-Y249 VanDerWaalsContact N-OH 3.09Å; Y53-Y249 WeakPolarHBondContact O-CE1 3.19Å; Y53-Y249 PolarHBondContact O-OH 2.85Å
54	P	92	Very high	89.5	Confident	15 Å²	15	63.8 Å²	63.8	10%	0.097	33%	0.331	C	S	.	.			trans	-67.4	133.9	173.3	30.4	-35.2	0	0	0	109.3	D56 P57 I60 I69 Y160	P54-D56 PolarHBondContact O-N 3.3Å; P54-P57 HydrophobicContact CG-CB 3.91Å; P54-I60 HydrophobicContact CB-CD1 4.25Å; P54-I60 HydrophobicContact CG-CD1 3.87Å; P54-I69 HydrophobicContact CG-CD1 3.9Å; P54-Y160 WeakPolarHBondContact O-CE1 3.41Å; P54-Y160 PolarHBondContact O-OH 3.16Å
55	P	91.3	Very high	90	Very high	46 Å²	46	57.4 Å²	57.4	30%	0.299	31%	0.309	S	S	.	.	S	Bend	trans	-55.7	-33.3	176.8	-25.6	34.5	0	0	0	113.5	P182 Y249 I258	P55-P182 HydrophobicContact CB-CB 4.15Å; P55-P182 HydrophobicContact CG-CB 3.99Å; P55-Y249 HydrophobicContact CG-CD1 4.41Å; P55-Y249 HydrophobicContact CG-CE1 4.22Å; P55-I258 HydrophobicContact CB-CG2 4.28Å; P55-I258 HydrophobicContact CG-CD1 4.07Å; P55-I258 HydrophobicContact CG-CG2 3.89Å
56	D	91.7	Very high	90.5	Very high	44 Å²	44	50.9 Å²	50.9	24%	0.235	28%	0.277	C	S	.	.			trans	-123.9	110.6	163.3	-166.2	-28.6	0	0	0	109.9	P54 T58 I59 K155	P54-D56 PolarHBondContact O-N 3.3Å; D56-T58 VanDerWaalsContact C-N 3.29Å; D56-T58 VanDerWaalsContact CG-OG1 3.29Å; D56-T58 PolarHBondContact O-N 2.8Å; D56-T58 WeakPolarHBondContact OD1-CA 3.44Å; D56-T58 VanDerWaalsContact OD1-CB 3.24Å; D56-T58 WeakPolarHBondContact OD1-CB 3.44Å; D56-T58 WeakPolarHBondContact OD1-CG2 3.36Å; D56-T58 PolarHBondContact OD1-N 2.81Å; D56-T58 PolarHBondContact OD1-OG1 2.9Å; D56-T58 PolarHBondContact OD2-OG1 3.44Å; D56-I59 HydrophobicContact CB-CG2 4.09Å; D56-I59 VanDerWaalsContact O-CD1 3.3Å; D56-I59 WeakPolarHBondContact O-CD1 3.43Å; D56-I59 VanDerWaalsContact O-CG1 3.29Å; D56-I59 WeakPolarHBondContact O-CG1 3.48Å; D56-K155 HydrophobicContact CB-CD 4.26Å; D56-K155 VanDerWaalsContact CG-CD 3.44Å; D56-K155 VanDerWaalsContact CG-NZ 3.26Å; D56-K155 WeakPolarHBondContact OD1-CD 3.35Å; D56-K155 IonicContact OD1-NZ 2.64Å; D56-K155 PolarHBondContact OD1-NZ 2.95Å; D56-K155 VanDerWaalsContact OD1-NZ 3.11Å; D56-K155 WeakPolarHBondContact OD2-CE 3.41Å; D56-K155 IonicContact OD2-NZ 3.45Å; D56-K155 PolarHBondContact OD2-NZ 3.45Å
57	P	93	Very high	91	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-73.9	-13.6	174.2	29.3	-35.3	0	0	0	114.2	P54 I69 L151 K155	P54-P57 HydrophobicContact CG-CB 3.91Å; P57-I69 HydrophobicContact CB-CD1 4.43Å; P57-I69 HydrophobicContact CB-CG2 4.35Å; P57-L151 HydrophobicContact CB-CB 4.26Å; P57-L151 HydrophobicContact CB-CD1 4.42Å; P57-L151 HydrophobicContact CB-CD2 4.05Å; P57-L151 HydrophobicContact CB-CG 4.47Å; P57-L151 HydrophobicContact CG-CB 3.87Å; P57-L151 HydrophobicContact CG-CD2 4.08Å; P57-L151 HydrophobicContact CG-CG 4.47Å; P57-K155 HydrophobicContact CG-CB 4.26Å
58	T	91.4	Very high	91.5	Very high	19 Å²	19	43 Å²	43	12%	0.117	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.4	-173.6	69.5	0	0	0	0	113.6	D56 I60 Y148 D152 K155	D56-T58 VanDerWaalsContact C-N 3.29Å; D56-T58 VanDerWaalsContact CG-OG1 3.29Å; D56-T58 PolarHBondContact O-N 2.8Å; D56-T58 WeakPolarHBondContact OD1-CA 3.44Å; D56-T58 VanDerWaalsContact OD1-CB 3.24Å; D56-T58 WeakPolarHBondContact OD1-CB 3.44Å; D56-T58 WeakPolarHBondContact OD1-CG2 3.36Å; D56-T58 PolarHBondContact OD1-N 2.81Å; D56-T58 PolarHBondContact OD1-OG1 2.9Å; D56-T58 PolarHBondContact OD2-OG1 3.44Å; T58-I60 PolarHBondContact O-N 2.96Å; T58-Y148 HydrophobicContact CG2-CD2 4.47Å; T58-Y148 HydrophobicContact CG2-CE2 4.06Å; T58-D152 HydrophobicContact CG2-CB 3.73Å; T58-K155 HydrophobicContact CG2-CD 4.27Å; T58-K155 PolarHBondContact OG1-NZ 2.81Å
59	I	89.2	Confident	91.8	Very high	44 Å²	44	39 Å²	39	23%	0.226	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.9	174.5	70.2	-170.9	0	0	0	113.1	D56 A61 I257 I258	D56-I59 HydrophobicContact CB-CG2 4.09Å; D56-I59 VanDerWaalsContact O-CD1 3.3Å; D56-I59 WeakPolarHBondContact O-CD1 3.43Å; D56-I59 VanDerWaalsContact O-CG1 3.29Å; D56-I59 WeakPolarHBondContact O-CG1 3.48Å; I59-A61 PolarHBondContact O-N 2.78Å; I59-I257 WeakPolarHBondContact CD1-O 3.23Å; I59-I258 WeakPolarHBondContact CD1-O 3.24Å
60	I	88.9	Confident	92.1	Very high	27 Å²	27	37.6 Å²	37.6	14%	0.138	20%	0.195	C	C	.	.			trans	-72.4	103.9	-170.5	-65.2	175.9	0	0	0	107.8	P54 T58 D62 T65 R66 I69	P54-I60 HydrophobicContact CB-CD1 4.25Å; P54-I60 HydrophobicContact CG-CD1 3.87Å; T58-I60 PolarHBondContact O-N 2.96Å; I60-D62 VanDerWaalsContact C-N 3.28Å; I60-D62 PolarHBondContact O-N 2.84Å; I60-T65 HydrophobicContact CD1-CG2 4.43Å; I60-T65 HydrophobicContact CG2-CG2 3.79Å; I60-R66 HydrophobicContact CB-CG 4.02Å; I60-R66 HydrophobicContact CG2-CG 4.14Å; I60-R66 VanDerWaalsContact O-CD 3.31Å; I60-R66 WeakPolarHBondContact O-CD 3.43Å; I60-R66 VanDerWaalsContact O-CG 3.32Å; I60-R66 WeakPolarHBondContact O-CG 3.11Å; I60-R66 PolarHBondContact O-NH1 2.85Å; I60-I69 HydrophobicContact CD1-CD1 3.5Å
61	A	85	Confident	92.2	Very high	67 Å²	67	38.7 Å²	38.7	55%	0.554	20%	0.201	S	C	*	.			trans	-60.9	-35.7	-175.6	0	0	0	0	0	112.9	I59 E63 R66	I59-A61 PolarHBondContact O-N 2.78Å; A61-E63 PolarHBondContact O-N 2.9Å; A61-R66 PolarHBondContact O-NH1 3.15Å
62	D	89.2	Confident	92.4	Very high	55 Å²	55	36.5 Å²	36.5	29%	0.294	19%	0.192	S	C	.	.			trans	-72	113.5	177.7	174.8	43.3	0	0	0	112.6	I60 Q64 T65 R66 Y335	I60-D62 VanDerWaalsContact C-N 3.28Å; I60-D62 PolarHBondContact O-N 2.84Å; D62-Q64 VanDerWaalsContact C-N 3.3Å; D62-Q64 PolarHBondContact O-N 2.97Å; D62-Q64 PolarHBondContact OD1-N 2.8Å; D62-Q64 VanDerWaalsContact OD1-N 3.16Å; D62-T65 PolarHBondContact O-N 3Å; D62-T65 VanDerWaalsContact OD2-CB 3.25Å; D62-T65 WeakPolarHBondContact OD2-CB 3.29Å; D62-T65 PolarHBondContact OD2-N 3.26Å; D62-T65 PolarHBondContact OD2-OG1 2.94Å; D62-R66 PolarHBondContact O-N 3.47Å; D62-Y335 HydrophobicContact CB-CE1 4.18Å
63	E	90.5	Very high	92.6	Very high	74 Å²	74	35.6 Å²	35.6	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-60.1	-36.6	176.3	-173.3	177.6	116.1	0	0	112.8	A61 T65 R66 Y67 A144 Y417	A61-E63 PolarHBondContact O-N 2.9Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.79Å; E63-R66 PolarHBondContact O-N 2.79Å; E63-R66 IonicContact OE2-NH2 3.93Å; E63-Y67 WeakPolarHBondContact O-CB 3.44Å; E63-Y67 PolarHBondContact O-N 3.27Å; E63-A144 HydrophobicContact CG-CB 3.98Å; E63-A144 VanDerWaalsContact OE2-CB 3.31Å; E63-A144 WeakPolarHBondContact OE2-CB 3.34Å; E63-Y417 WeakPolarHBondContact OE1-CE2 3.47Å
64	Q	91.2	Very high	92.7	Very high	80 Å²	80	37 Å²	37	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-38.9	-179.8	-176.2	63	83.3	0	0	111.2	D62 Q68	D62-Q64 VanDerWaalsContact C-N 3.3Å; D62-Q64 PolarHBondContact O-N 2.97Å; D62-Q64 PolarHBondContact OD1-N 2.8Å; D62-Q64 VanDerWaalsContact OD1-N 3.16Å; Q64-Q68 WeakPolarHBondContact O-CG 3.18Å; Q64-Q68 PolarHBondContact O-N 3.23Å
65	T	91.6	Very high	92.8	Very high	26 Å²	26	39.8 Å²	39.8	16%	0.16	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-43.6	174.2	-60.4	0	0	0	0	111.7	I60 D62 E63 Y67 Q68 I69 L338	I60-T65 HydrophobicContact CD1-CG2 4.43Å; I60-T65 HydrophobicContact CG2-CG2 3.79Å; D62-T65 PolarHBondContact O-N 3Å; D62-T65 VanDerWaalsContact OD2-CB 3.25Å; D62-T65 WeakPolarHBondContact OD2-CB 3.29Å; D62-T65 PolarHBondContact OD2-N 3.26Å; D62-T65 PolarHBondContact OD2-OG1 2.94Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.79Å; T65-Y67 VanDerWaalsContact C-N 3.28Å; T65-Y67 PolarHBondContact O-N 3.29Å; T65-Q68 PolarHBondContact O-N 3.49Å; T65-Q68 VanDerWaalsContact O-N 3.14Å; T65-I69 HydrophobicContact CG2-CD1 4.49Å; T65-I69 PolarHBondContact O-N 2.9Å; T65-L338 HydrophobicContact CG2-CD1 3.75Å
66	R	94.2	Very high	93	Very high	32 Å²	32	37.9 Å²	37.9	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-45.1	172	-69.7	-163.6	-54.1	-84.3	-1	111.2	I60 A61 D62 E63 Q68 I69 F70 L151	I60-R66 HydrophobicContact CB-CG 4.02Å; I60-R66 HydrophobicContact CG2-CG 4.14Å; I60-R66 VanDerWaalsContact O-CD 3.31Å; I60-R66 WeakPolarHBondContact O-CD 3.43Å; I60-R66 VanDerWaalsContact O-CG 3.32Å; I60-R66 WeakPolarHBondContact O-CG 3.11Å; I60-R66 PolarHBondContact O-NH1 2.85Å; A61-R66 PolarHBondContact O-NH1 3.15Å; D62-R66 PolarHBondContact O-N 3.47Å; E63-R66 PolarHBondContact O-N 2.79Å; E63-R66 IonicContact OE2-NH2 3.93Å; R66-Q68 VanDerWaalsContact C-N 3.34Å; R66-Q68 PolarHBondContact O-N 2.75Å; R66-I69 PolarHBondContact O-N 3.47Å; R66-I69 VanDerWaalsContact O-N 3.09Å; R66-F70 PolarHBondContact O-N 2.83Å; R66-L151 HydrophobicContact CB-CD1 3.9Å; R66-L151 HydrophobicContact CG-CD1 4.41Å
67	Y	95.4	Very high	93.1	Very high	59 Å²	59	36 Å²	36	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-33.3	177.9	178.6	-114.8	0	0	0	113.5	E63 T65 F70 I71 E147 Y417	E63-Y67 WeakPolarHBondContact O-CB 3.44Å; E63-Y67 PolarHBondContact O-N 3.27Å; T65-Y67 VanDerWaalsContact C-N 3.28Å; T65-Y67 PolarHBondContact O-N 3.29Å; Y67-F70 AromaticContact CD2-CD1 3.89Å; Y67-F70 HydrophobicContact CD2-CD1 3.89Å; Y67-F70 HydrophobicContact CD2-CE1 4.49Å; Y67-F70 HydrophobicContact CE2-CD1 4.02Å; Y67-F70 HydrophobicContact CE2-CE1 4.25Å; Y67-F70 PolarHBondContact O-N 3.44Å; Y67-I71 HydrophobicContact CD1-CD1 3.88Å; Y67-I71 HydrophobicContact CE1-CD1 3.42Å; Y67-I71 VanDerWaalsContact CE1-CD1 3.42Å; Y67-I71 HydrophobicContact CE1-CG1 4.26Å; Y67-I71 HydrophobicContact CE2-CD1 4.19Å; Y67-I71 HydrophobicContact CE2-CG1 4.14Å; Y67-I71 HydrophobicContact CG-CD1 4.44Å; Y67-I71 WeakPolarHBondContact O-CG1 3.49Å; Y67-I71 PolarHBondContact O-N 3.38Å; Y67-E147 HydrophobicContact CD2-CG 4.47Å; Y67-E147 WeakPolarHBondContact CD2-OE2 3.5Å; Y67-Y417 WeakPolarHBondContact CB-OH 3.3Å; Y67-Y417 AromaticContact CD1-CE1 3.85Å; Y67-Y417 HydrophobicContact CD1-CE1 3.85Å; Y67-Y417 VanDerWaalsContact CD1-OH 3.28Å; Y67-Y417 WeakPolarHBondContact CD1-OH 3.25Å; Y67-Y417 HydrophobicContact CD2-CE1 4.42Å; Y67-Y417 AromaticContact CE1-CE1 3.81Å; Y67-Y417 HydrophobicContact CE1-CE1 3.81Å; Y67-Y417 HydrophobicContact CE2-CE1 4.4Å; Y67-Y417 HydrophobicContact CG-CE1 4.16Å
68	Q	95.4	Very high	93.1	Very high	64 Å²	64	37.4 Å²	37.4	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-64.9	-39.4	171.8	-61.9	-46.6	-97.9	0	0	112.2	Q64 T65 R66 I71 Q72	Q64-Q68 WeakPolarHBondContact O-CG 3.18Å; Q64-Q68 PolarHBondContact O-N 3.23Å; T65-Q68 PolarHBondContact O-N 3.49Å; T65-Q68 VanDerWaalsContact O-N 3.14Å; R66-Q68 VanDerWaalsContact C-N 3.34Å; R66-Q68 PolarHBondContact O-N 2.75Å; Q68-I71 PolarHBondContact O-N 2.83Å; Q68-Q72 PolarHBondContact O-N 3.45Å; Q68-Q72 VanDerWaalsContact O-N 3.12Å
69	I	95.8	Very high	93.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-69.2	-39.4	176.3	-57.1	162.6	0	0	0	109.9	I50 P54 P57 I60 T65 R66 Q72 V73 L151	I50-I69 HydrophobicContact CD1-CG1 4.05Å; I50-I69 HydrophobicContact CG1-CG1 4.39Å; P54-I69 HydrophobicContact CG-CD1 3.9Å; P57-I69 HydrophobicContact CB-CD1 4.43Å; P57-I69 HydrophobicContact CB-CG2 4.35Å; I60-I69 HydrophobicContact CD1-CD1 3.5Å; T65-I69 HydrophobicContact CG2-CD1 4.49Å; T65-I69 PolarHBondContact O-N 2.9Å; R66-I69 PolarHBondContact O-N 3.47Å; R66-I69 VanDerWaalsContact O-N 3.09Å; I69-Q72 WeakPolarHBondContact O-CB 3.23Å; I69-Q72 PolarHBondContact O-N 2.91Å; I69-V73 HydrophobicContact CG2-CG2 4.26Å; I69-V73 WeakPolarHBondContact O-CB 3.46Å; I69-V73 VanDerWaalsContact O-CG2 3.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 2.83Å; I69-L151 HydrophobicContact CB-CD2 4.27Å; I69-L151 HydrophobicContact CG2-CD2 3.75Å
70	F	97.1	Very high	93.2	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-47.2	172.8	166.2	-91	0	0	0	112.3	R66 Y67 Q72 V73 R74 I96 E147 L150	R66-F70 PolarHBondContact O-N 2.83Å; Y67-F70 AromaticContact CD2-CD1 3.89Å; Y67-F70 HydrophobicContact CD2-CD1 3.89Å; Y67-F70 HydrophobicContact CD2-CE1 4.49Å; Y67-F70 HydrophobicContact CE2-CD1 4.02Å; Y67-F70 HydrophobicContact CE2-CE1 4.25Å; Y67-F70 PolarHBondContact O-N 3.44Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.81Å; F70-V73 PolarHBondContact O-N 2.84Å; F70-R74 WeakPolarHBondContact O-CB 3.24Å; F70-R74 PolarHBondContact O-N 3.46Å; F70-I96 HydrophobicContact CE2-CG1 4.25Å; F70-I96 HydrophobicContact CZ-CG1 4.26Å; F70-E147 HydrophobicContact CB-CB 4.33Å; F70-E147 HydrophobicContact CB-CG 4.33Å; F70-E147 HydrophobicContact CD1-CG 3.89Å; F70-E147 HydrophobicContact CD2-CB 3.89Å; F70-E147 HydrophobicContact CD2-CG 3.63Å; F70-E147 HydrophobicContact CE1-CG 4.05Å; F70-E147 HydrophobicContact CE2-CB 4.38Å; F70-E147 HydrophobicContact CE2-CG 3.78Å; F70-E147 HydrophobicContact CG-CB 4.1Å; F70-E147 HydrophobicContact CG-CG 3.69Å; F70-E147 HydrophobicContact CZ-CG 4Å; F70-L150 HydrophobicContact CD2-CB 4.3Å; F70-L150 HydrophobicContact CD2-CD1 4.25Å; F70-L150 HydrophobicContact CD2-CD2 4.07Å; F70-L150 HydrophobicContact CD2-CG 4.41Å; F70-L150 HydrophobicContact CE2-CB 4.4Å; F70-L150 HydrophobicContact CE2-CD1 3.9Å; F70-L150 HydrophobicContact CE2-CG 4.49Å
71	I	95.8	Very high	93.3	Very high	54 Å²	54	45.9 Å²	45.9	28%	0.277	24%	0.244	S	C	.	.	H	α-helix	trans	-58.2	-44.1	175.7	-72.6	165	0	0	0	110.8	Y67 Q68 R74 N75	Y67-I71 HydrophobicContact CD1-CD1 3.88Å; Y67-I71 HydrophobicContact CE1-CD1 3.42Å; Y67-I71 VanDerWaalsContact CE1-CD1 3.42Å; Y67-I71 HydrophobicContact CE1-CG1 4.26Å; Y67-I71 HydrophobicContact CE2-CD1 4.19Å; Y67-I71 HydrophobicContact CE2-CG1 4.14Å; Y67-I71 HydrophobicContact CG-CD1 4.44Å; Y67-I71 WeakPolarHBondContact O-CG1 3.49Å; Y67-I71 PolarHBondContact O-N 3.38Å; Q68-I71 PolarHBondContact O-N 2.83Å; I71-R74 WeakPolarHBondContact O-CB 3.38Å; I71-R74 PolarHBondContact O-N 3.08Å; I71-N75 PolarHBondContact O-N 3.46Å; I71-N75 PolarHBondContact O-ND2 2.85Å
72	Q	95.7	Very high	93.7	Very high	26 Å²	26	43 Å²	43	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-53.8	178.3	178.8	66.3	66.7	0	0	110.8	G49 I50 Y53 Q68 I69 F70 R74 N75 D76	G49-Q72 VanDerWaalsContact CA-OE1 3.24Å; I50-Q72 HydrophobicContact CB-CG 3.93Å; I50-Q72 HydrophobicContact CG1-CB 3.76Å; I50-Q72 HydrophobicContact CG1-CG 3.71Å; Y53-Q72 HydrophobicContact CE1-CG 3.72Å; Y53-Q72 VanDerWaalsContact OH-CD 3.31Å; Y53-Q72 WeakPolarHBondContact OH-CG 3.38Å; Y53-Q72 PolarHBondContact OH-NE2 3.14Å; Q68-Q72 PolarHBondContact O-N 3.45Å; Q68-Q72 VanDerWaalsContact O-N 3.12Å; I69-Q72 WeakPolarHBondContact O-CB 3.23Å; I69-Q72 PolarHBondContact O-N 2.91Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.81Å; Q72-R74 VanDerWaalsContact C-N 3.33Å; Q72-R74 PolarHBondContact O-N 3.5Å; Q72-N75 CarbonylContact O-C 3.58Å; Q72-N75 WeakPolarHBondContact O-CA 3.29Å; Q72-N75 WeakPolarHBondContact O-CB 3.46Å; Q72-N75 PolarHBondContact O-N 2.88Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.41Å; Q72-D76 VanDerWaalsContact NE2-CG 3.31Å; Q72-D76 PolarHBondContact NE2-OD1 2.86Å; Q72-D76 PolarHBondContact NE2-OD2 3.48Å; Q72-D76 VanDerWaalsContact O-CG 3.25Å; Q72-D76 PolarHBondContact O-N 2.84Å
73	V	96.5	Very high	93.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-40.2	178.3	172	0	0	0	0	112.2	I69 F70 N75 D76 L77 M82 L150 L151 V154 Y160	I69-V73 HydrophobicContact CG2-CG2 4.26Å; I69-V73 WeakPolarHBondContact O-CB 3.46Å; I69-V73 VanDerWaalsContact O-CG2 3.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 2.83Å; F70-V73 PolarHBondContact O-N 2.84Å; V73-N75 VanDerWaalsContact C-N 3.3Å; V73-N75 PolarHBondContact O-N 3.27Å; V73-D76 PolarHBondContact O-N 2.84Å; V73-L77 VanDerWaalsContact O-CB 3.3Å; V73-L77 WeakPolarHBondContact O-CB 3.35Å; V73-L77 PolarHBondContact O-N 2.8Å; V73-M82 HydrophobicContact CG1-CE 3.83Å; V73-M82 HydrophobicContact CG1-SD 4.26Å; V73-L150 HydrophobicContact CB-CD2 4.41Å; V73-L150 HydrophobicContact CG1-CD2 3.7Å; V73-L151 HydrophobicContact CG2-CD2 4.46Å; V73-V154 HydrophobicContact CG1-CB 4.36Å; V73-V154 HydrophobicContact CG1-CG1 3.93Å; V73-V154 HydrophobicContact CG1-CG2 4.08Å; V73-V154 HydrophobicContact CG2-CG2 4.44Å; V73-Y160 HydrophobicContact CG2-CD2 4.31Å; V73-Y160 HydrophobicContact CG2-CE2 3.78Å
74	R	95.8	Very high	94	Very high	40 Å²	40	43.7 Å²	43.7	15%	0.151	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-45.8	172.7	173.2	-172.1	-175.2	-59.1	-7.3	110.6	F70 I71 Q72 I78 I96 D100 L117	F70-R74 WeakPolarHBondContact O-CB 3.24Å; F70-R74 PolarHBondContact O-N 3.46Å; I71-R74 WeakPolarHBondContact O-CB 3.38Å; I71-R74 PolarHBondContact O-N 3.08Å; Q72-R74 VanDerWaalsContact C-N 3.33Å; Q72-R74 PolarHBondContact O-N 3.5Å; R74-I78 HydrophobicContact CG-CD1 3.88Å; R74-I78 WeakPolarHBondContact O-CB 3.43Å; R74-I78 WeakPolarHBondContact O-CD1 3.14Å; R74-I78 VanDerWaalsContact O-CG1 3.24Å; R74-I78 WeakPolarHBondContact O-CG1 3.32Å; R74-I78 PolarHBondContact O-N 2.85Å; R74-I96 HydrophobicContact CB-CD1 4.26Å; R74-I96 HydrophobicContact CB-CG1 4.42Å; R74-I96 HydrophobicContact CG-CD1 4.07Å; R74-I96 HydrophobicContact CG-CG1 4.2Å; R74-I96 HydrophobicContact CG-CG2 3.85Å; R74-D100 IonicContact CZ-OD1 2.73Å; R74-D100 IonicContact CZ-OD2 2.74Å; R74-D100 VanDerWaalsContact CZ-OD2 3.27Å; R74-D100 IonicContact NE-OD1 2.72Å; R74-D100 PolarHBondContact NE-OD1 3.2Å; R74-D100 IonicContact NE-OD2 2.68Å; R74-D100 PolarHBondContact NE-OD2 2.77Å; R74-D100 IonicContact NH2-OD1 2.9Å; R74-D100 IonicContact NH2-OD2 2.6Å; R74-D100 PolarHBondContact NH2-OD2 2.95Å; R74-L117 PolarHBondContact NH2-O 3.32Å
75	N	94.5	Very high	94.1	Very high	73 Å²	73	44 Å²	44	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-71.5	-37.3	178.5	-63.8	-22.1	0	0	0	112.4	I71 Q72 V73 I78 S79	I71-N75 PolarHBondContact O-N 3.46Å; I71-N75 PolarHBondContact O-ND2 2.85Å; Q72-N75 CarbonylContact O-C 3.58Å; Q72-N75 WeakPolarHBondContact O-CA 3.29Å; Q72-N75 WeakPolarHBondContact O-CB 3.46Å; Q72-N75 PolarHBondContact O-N 2.88Å; V73-N75 VanDerWaalsContact C-N 3.3Å; V73-N75 PolarHBondContact O-N 3.27Å; N75-I78 PolarHBondContact O-N 2.79Å; N75-S79 VanDerWaalsContact O-CB 3.27Å; N75-S79 WeakPolarHBondContact O-CB 3.2Å; N75-S79 PolarHBondContact O-N 3.17Å; N75-S79 PolarHBondContact O-OG 2.96Å
76	D	94.7	Very high	94.3	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-33.2	178.1	-61.3	-41	0	0	0	112.5	Y53 Q72 V73 S79 G80 R81 M82	Y53-D76 PolarHBondContact OH-OD2 3.43Å; Y53-D76 VanDerWaalsContact OH-OD2 3.04Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.41Å; Q72-D76 VanDerWaalsContact NE2-CG 3.31Å; Q72-D76 PolarHBondContact NE2-OD1 2.86Å; Q72-D76 PolarHBondContact NE2-OD2 3.48Å; Q72-D76 VanDerWaalsContact O-CG 3.25Å; Q72-D76 PolarHBondContact O-N 2.84Å; V73-D76 PolarHBondContact O-N 2.84Å; D76-S79 PolarHBondContact O-OG 3.49Å; D76-G80 PolarHBondContact O-N 3.03Å; D76-R81 HydrophobicContact CB-CB 4.32Å; D76-R81 PolarHBondContact O-N 3.45Å; D76-R81 IonicContact OD1-CZ 2.67Å; D76-R81 VanDerWaalsContact OD1-CZ 3.22Å; D76-R81 IonicContact OD1-NE 3.41Å; D76-R81 IonicContact OD1-NH1 3.34Å; D76-R81 PolarHBondContact OD1-NH1 3.3Å; D76-R81 IonicContact OD1-NH2 2.73Å; D76-M82 HydrophobicContact CB-CB 4.15Å; D76-M82 PolarHBondContact O-N 2.89Å
77	L	95	Very high	94.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-50.7	170.9	-174.1	74.4	0	0	0	111.3	V73 S79 G80 M82 V84 F89 L92 I96	V73-L77 VanDerWaalsContact O-CB 3.3Å; V73-L77 WeakPolarHBondContact O-CB 3.35Å; V73-L77 PolarHBondContact O-N 2.8Å; L77-S79 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 2.8Å; L77-G80 PolarHBondContact O-N 2.89Å; L77-G80 VanDerWaalsContact O-N 3.13Å; L77-M82 HydrophobicContact CB-CE 4.15Å; L77-M82 HydrophobicContact CD1-CE 3.83Å; L77-V84 HydrophobicContact CD1-CG1 4.38Å; L77-V84 HydrophobicContact CD1-CG2 3.62Å; L77-F89 HydrophobicContact CD1-CD2 3.77Å; L77-F89 HydrophobicContact CD1-CE2 4.08Å; L77-F89 HydrophobicContact CG-CD2 4.12Å; L77-F89 HydrophobicContact CG-CE2 3.96Å; L77-L92 HydrophobicContact CD1-CD1 3.88Å; L77-L92 HydrophobicContact CD2-CB 3.64Å; L77-L92 HydrophobicContact CD2-CD1 4.16Å; L77-I96 HydrophobicContact CD2-CD1 3.64Å
78	I	93.1	Very high	94.4	Very high	30 Å²	30	50.1 Å²	50.1	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-34.6	-177.8	-74.4	167	0	0	0	112.1	R74 N75 G80 L118 L120	R74-I78 HydrophobicContact CG-CD1 3.88Å; R74-I78 WeakPolarHBondContact O-CB 3.43Å; R74-I78 WeakPolarHBondContact O-CD1 3.14Å; R74-I78 VanDerWaalsContact O-CG1 3.24Å; R74-I78 WeakPolarHBondContact O-CG1 3.32Å; R74-I78 PolarHBondContact O-N 2.85Å; N75-I78 PolarHBondContact O-N 2.79Å; I78-G80 VanDerWaalsContact C-N 3.3Å; I78-L118 HydrophobicContact CD1-CD2 4.38Å; I78-L118 WeakPolarHBondContact CG2-O 3.39Å; I78-L120 HydrophobicContact CB-CD2 4.22Å; I78-L120 HydrophobicContact CG1-CD2 4.03Å; I78-L120 HydrophobicContact CG2-CD2 4.19Å
79	S	91.8	Very high	94.5	Very high	75 Å²	75	48.9 Å²	48.9	52%	0.524	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.4	176	60.3	0	0	0	0	114.4	N75 D76 L77 R81	N75-S79 VanDerWaalsContact O-CB 3.27Å; N75-S79 WeakPolarHBondContact O-CB 3.2Å; N75-S79 PolarHBondContact O-N 3.17Å; N75-S79 PolarHBondContact O-OG 2.96Å; D76-S79 PolarHBondContact O-OG 3.49Å; L77-S79 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 2.8Å; S79-R81 PolarHBondContact O-N 2.93Å
80	G	91.1	Very high	94.5	Very high	47 Å²	47	49.3 Å²	49.3	49%	0.485	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	6.5	-178.6	0	0	0	0	0	115.1	D76 L77 I78	D76-G80 PolarHBondContact O-N 3.03Å; L77-G80 PolarHBondContact O-N 2.89Å; L77-G80 VanDerWaalsContact O-N 3.13Å; I78-G80 VanDerWaalsContact C-N 3.3Å
81	R	91.1	Very high	94.5	Very high	146 Å²	146	50.8 Å²	50.8	55%	0.551	27%	0.267	S	S	*	.	S	Bend	trans	-64.9	-42.5	176.1	-172.4	-173.6	-59.4	151.7	12.4	111.5	D76 S79	D76-R81 HydrophobicContact CB-CB 4.32Å; D76-R81 PolarHBondContact O-N 3.45Å; D76-R81 IonicContact OD1-CZ 2.67Å; D76-R81 VanDerWaalsContact OD1-CZ 3.22Å; D76-R81 IonicContact OD1-NE 3.41Å; D76-R81 IonicContact OD1-NH1 3.34Å; D76-R81 PolarHBondContact OD1-NH1 3.3Å; D76-R81 IonicContact OD1-NH2 2.73Å; S79-R81 PolarHBondContact O-N 2.93Å
82	M	93.1	Very high	94.6	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.034	25%	0.254	C	S	.	.	S	Bend	trans	-95.1	95.5	174.7	-171.8	-177	71	0	0	109.5	V73 D76 L77 V84 L92 V154 L157 Y160	V73-M82 HydrophobicContact CG1-CE 3.83Å; V73-M82 HydrophobicContact CG1-SD 4.26Å; D76-M82 HydrophobicContact CB-CB 4.15Å; D76-M82 PolarHBondContact O-N 2.89Å; L77-M82 HydrophobicContact CB-CE 4.15Å; L77-M82 HydrophobicContact CD1-CE 3.83Å; M82-V84 HydrophobicContact CE-CG1 4.39Å; M82-L92 HydrophobicContact CE-CD1 4.45Å; M82-V154 HydrophobicContact CE-CB 4.38Å; M82-V154 HydrophobicContact CE-CG1 3.81Å; M82-V154 HydrophobicContact SD-CB 4.27Å; M82-V154 HydrophobicContact SD-CG1 4.35Å; M82-L157 HydrophobicContact CE-CD1 4.26Å; M82-L157 HydrophobicContact SD-CD1 4.1Å; M82-Y160 HydrophobicContact SD-CD2 4.32Å
83	Q	91.4	Very high	94.7	Very high	104 Å²	104	47 Å²	47	49%	0.486	25%	0.248	S	C	.	.			trans	-69.8	140.8	176.7	-59.8	-179.4	32.1	0	0	111.2	T159	Q83-T159 HydrophobicContact CB-CG2 4.3Å; Q83-T159 PolarHBondContact O-OG1 3.26Å
84	V	94	Very high	94.7	Very high	38 Å²	38	47 Å²	47	23%	0.23	25%	0.248	C	C	.	.			trans	-145.4	163.3	-179.8	-75.2	0	0	0	0	109.8	L77 M82 L88 F89 L92 L157	L77-V84 HydrophobicContact CD1-CG1 4.38Å; L77-V84 HydrophobicContact CD1-CG2 3.62Å; M82-V84 HydrophobicContact CE-CG1 4.39Å; V84-L88 HydrophobicContact CB-CD2 4.41Å; V84-L88 HydrophobicContact CG1-CD2 4.08Å; V84-F89 HydrophobicContact CG2-CB 3.75Å; V84-F89 HydrophobicContact CG2-CD2 3.76Å; V84-F89 HydrophobicContact CG2-CG 4.26Å; V84-L92 HydrophobicContact CG1-CD1 4.16Å; V84-L157 HydrophobicContact CG1-CD1 3.42Å; V84-L157 VanDerWaalsContact CG1-CD1 3.42Å; V84-L157 HydrophobicContact CG1-CD2 4.17Å; V84-L157 HydrophobicContact CG1-CG 4.44Å
85	D	94.2	Very high	94.8	Very high	87 Å²	87	45.2 Å²	45.2	47%	0.465	24%	0.241	S	C	.	.			trans	-69.1	158.2	166.5	74.5	90.9	0	0	0	111.4	N87 L88 F89	D85-N87 VanDerWaalsContact C-N 3.33Å; D85-N87 PolarHBondContact O-N 3.01Å; D85-N87 WeakPolarHBondContact OD1-CA 3.37Å; D85-N87 WeakPolarHBondContact OD1-CB 3.36Å; D85-N87 PolarHBondContact OD1-N 3.29Å; D85-L88 PolarHBondContact O-N 2.81Å; D85-L88 PolarHBondContact OD1-N 3.41Å; D85-L88 WeakPolarHBondContact OD2-CB 3.42Å; D85-F89 WeakPolarHBondContact O-CB 3.39Å; D85-F89 PolarHBondContact O-N 3.48Å
86	E	94.4	Very high	94.9	Very high	107 Å²	107	41.7 Å²	41.7	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-66.6	-30.9	-173.1	-160.7	-170.1	150.9	0	0	113.7	F89 V90 R130	E86-F89 PolarHBondContact O-N 3.41Å; E86-V90 WeakPolarHBondContact O-CG2 3.4Å; E86-V90 PolarHBondContact O-N 2.81Å; E86-R130 IonicContact OE1-CZ 3.85Å; E86-R130 IonicContact OE1-NH1 3.27Å; E86-R130 PolarHBondContact OE1-NH1 3.42Å; E86-R130 IonicContact OE1-NH2 2.68Å; E86-R130 PolarHBondContact OE1-NH2 3.29Å
87	N	96.2	Very high	95	Very high	108 Å²	108	41.4 Å²	41.4	58%	0.578	22%	0.221	S	C	*	.	H	α-helix	trans	-77	-38.4	-179.2	-66.3	-47.1	0	0	0	111	D85 T91 R130	D85-N87 VanDerWaalsContact C-N 3.33Å; D85-N87 PolarHBondContact O-N 3.01Å; D85-N87 WeakPolarHBondContact OD1-CA 3.37Å; D85-N87 WeakPolarHBondContact OD1-CB 3.36Å; D85-N87 PolarHBondContact OD1-N 3.29Å; N87-T91 WeakPolarHBondContact O-CB 3.45Å; N87-T91 PolarHBondContact O-N 2.73Å; N87-T91 VanDerWaalsContact O-N 3.08Å; N87-T91 PolarHBondContact O-OG1 2.88Å; N87-R130 PolarHBondContact OD1-NH2 2.86Å
88	L	96.5	Very high	95.1	Very high	31 Å²	31	41.3 Å²	41.3	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-41.5	168.4	-176	60.4	0	0	0	111.2	V84 D85 V90 T91 L92 K153 L157	V84-L88 HydrophobicContact CB-CD2 4.41Å; V84-L88 HydrophobicContact CG1-CD2 4.08Å; D85-L88 PolarHBondContact O-N 2.81Å; D85-L88 PolarHBondContact OD1-N 3.41Å; D85-L88 WeakPolarHBondContact OD2-CB 3.42Å; L88-V90 PolarHBondContact O-N 2.67Å; L88-T91 CarbonylContact O-C 3.56Å; L88-T91 WeakPolarHBondContact O-CA 3.33Å; L88-T91 VanDerWaalsContact O-CB 3.31Å; L88-T91 WeakPolarHBondContact O-CB 3.34Å; L88-T91 PolarHBondContact O-N 2.87Å; L88-L92 HydrophobicContact CD1-CD1 4.3Å; L88-L92 HydrophobicContact CD1-CD2 4.23Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CD2-CD1 4.4Å; L88-L92 HydrophobicContact CG-CD1 3.85Å; L88-L92 HydrophobicContact CG-CG 4.05Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.18Å; L88-L92 PolarHBondContact O-N 3.3Å; L88-K153 HydrophobicContact CD1-CB 4.44Å; L88-K153 HydrophobicContact CD1-CD 4.31Å; L88-L157 HydrophobicContact CD2-CD1 4.25Å; L88-L157 HydrophobicContact CD2-CD2 3.7Å; L88-L157 HydrophobicContact CD2-CG 4.35Å
89	F	96.5	Very high	95.2	Very high	37 Å²	37	40.8 Å²	40.8	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-53.5	-54.2	175.8	-175.9	-91.6	0	0	0	111.6	L77 V84 D85 E86 T91 L92 C93 L120 L127 I131	L77-F89 HydrophobicContact CD1-CD2 3.77Å; L77-F89 HydrophobicContact CD1-CE2 4.08Å; L77-F89 HydrophobicContact CG-CD2 4.12Å; L77-F89 HydrophobicContact CG-CE2 3.96Å; V84-F89 HydrophobicContact CG2-CB 3.75Å; V84-F89 HydrophobicContact CG2-CD2 3.76Å; V84-F89 HydrophobicContact CG2-CG 4.26Å; D85-F89 WeakPolarHBondContact O-CB 3.39Å; D85-F89 PolarHBondContact O-N 3.48Å; E86-F89 PolarHBondContact O-N 3.41Å; F89-T91 VanDerWaalsContact C-N 3.27Å; F89-T91 PolarHBondContact O-N 2.86Å; F89-L92 PolarHBondContact O-N 2.86Å; F89-L92 VanDerWaalsContact O-N 3.16Å; F89-C93 VanDerWaalsContact CE1-SG 3.58Å; F89-C93 WeakPolarHBondContact O-CB 3.44Å; F89-C93 PolarHBondContact O-N 3.4Å; F89-C93 PolarHBondContact O-SG 3.39Å; F89-C93 VanDerWaalsContact O-SG 3.41Å; F89-L120 HydrophobicContact CE1-CD1 3.83Å; F89-L120 HydrophobicContact CZ-CD1 3.69Å; F89-L120 HydrophobicContact CZ-CD2 3.76Å; F89-L120 HydrophobicContact CZ-CG 4.38Å; F89-L127 HydrophobicContact CD1-CD1 4.32Å; F89-L127 HydrophobicContact CE1-CD2 4.27Å; F89-I131 HydrophobicContact CE1-CD1 4.41Å
90	V	97.1	Very high	95.3	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-53.8	-46	173.4	166.6	0	0	0	0	110.9	E86 L88 L92 C93 G94 L127 R130 I131 K134	E86-V90 WeakPolarHBondContact O-CG2 3.4Å; E86-V90 PolarHBondContact O-N 2.81Å; L88-V90 PolarHBondContact O-N 2.67Å; V90-L92 PolarHBondContact O-N 3.19Å; V90-C93 PolarHBondContact O-N 3.29Å; V90-G94 PolarHBondContact O-N 3.41Å; V90-L127 HydrophobicContact CG2-CD1 3.63Å; V90-R130 HydrophobicContact CG1-CB 4.09Å; V90-R130 WeakPolarHBondContact CG1-O 3.39Å; V90-R130 HydrophobicContact CG2-CB 4.1Å; V90-I131 HydrophobicContact CG1-CG1 4.44Å; V90-I131 HydrophobicContact CG2-CG1 4.24Å; V90-K134 HydrophobicContact CG1-CB 3.82Å; V90-K134 HydrophobicContact CG1-CD 4.5Å; V90-K134 HydrophobicContact CG1-CG 4.02Å; V90-K134 WeakPolarHBondContact O-CG 3.26Å
91	T	97.2	Very high	95.4	Very high	33 Å²	33	38.3 Å²	38.3	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-39.2	178.6	-62.2	0	0	0	0	113.6	N87 L88 F89 L95 K153	N87-T91 WeakPolarHBondContact O-CB 3.45Å; N87-T91 PolarHBondContact O-N 2.73Å; N87-T91 VanDerWaalsContact O-N 3.08Å; N87-T91 PolarHBondContact O-OG1 2.88Å; L88-T91 CarbonylContact O-C 3.56Å; L88-T91 WeakPolarHBondContact O-CA 3.33Å; L88-T91 VanDerWaalsContact O-CB 3.31Å; L88-T91 WeakPolarHBondContact O-CB 3.34Å; L88-T91 PolarHBondContact O-N 2.87Å; F89-T91 VanDerWaalsContact C-N 3.27Å; F89-T91 PolarHBondContact O-N 2.86Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 2.99Å; T91-K153 HydrophobicContact CG2-CD 4.36Å
92	L	97.5	Very high	95.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-74	-41.8	177.3	-63.6	169.5	0	0	0	110.6	L77 M82 V84 L88 F89 V90 G94 L95 I96 L150 K153 V154	L77-L92 HydrophobicContact CD1-CD1 3.88Å; L77-L92 HydrophobicContact CD2-CB 3.64Å; L77-L92 HydrophobicContact CD2-CD1 4.16Å; M82-L92 HydrophobicContact CE-CD1 4.45Å; V84-L92 HydrophobicContact CG1-CD1 4.16Å; L88-L92 HydrophobicContact CD1-CD1 4.3Å; L88-L92 HydrophobicContact CD1-CD2 4.23Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CD2-CD1 4.4Å; L88-L92 HydrophobicContact CG-CD1 3.85Å; L88-L92 HydrophobicContact CG-CG 4.05Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.18Å; L88-L92 PolarHBondContact O-N 3.3Å; F89-L92 PolarHBondContact O-N 2.86Å; F89-L92 VanDerWaalsContact O-N 3.16Å; V90-L92 PolarHBondContact O-N 3.19Å; L92-G94 PolarHBondContact O-N 3.34Å; L92-L95 PolarHBondContact O-N 2.95Å; L92-I96 WeakPolarHBondContact O-CG1 3.5Å; L92-I96 PolarHBondContact O-N 2.84Å; L92-L150 HydrophobicContact CB-CD1 4.27Å; L92-L150 HydrophobicContact CD2-CD1 4.09Å; L92-L150 HydrophobicContact CD2-CG 3.74Å; L92-K153 HydrophobicContact CD2-CB 4.36Å; L92-V154 HydrophobicContact CD1-CG1 4.07Å; L92-V154 HydrophobicContact CD2-CG1 3.72Å
93	C	97.2	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-39.8	176.2	-72.6	0	0	0	0	113.2	F89 V90 L95 I96 L97 L118 I131	F89-C93 VanDerWaalsContact CE1-SG 3.58Å; F89-C93 WeakPolarHBondContact O-CB 3.44Å; F89-C93 PolarHBondContact O-N 3.4Å; F89-C93 PolarHBondContact O-SG 3.39Å; F89-C93 VanDerWaalsContact O-SG 3.41Å; V90-C93 PolarHBondContact O-N 3.29Å; C93-L95 VanDerWaalsContact C-N 3.33Å; C93-L95 PolarHBondContact O-N 3.45Å; C93-I96 PolarHBondContact O-N 3.23Å; C93-L97 WeakPolarHBondContact O-CG 3.37Å; C93-L97 PolarHBondContact O-N 2.89Å; C93-L118 HydrophobicContact CB-CD1 3.78Å; C93-I131 HydrophobicContact CB-CD1 3.85Å; C93-I131 HydrophobicContact CB-CG1 3.89Å; C93-I131 HydrophobicContact CB-CG2 4.03Å
94	G	96.7	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-36.7	174.1	0	0	0	0	0	113.3	V90 L92 Q98	V90-G94 PolarHBondContact O-N 3.41Å; L92-G94 PolarHBondContact O-N 3.34Å; G94-Q98 PolarHBondContact O-N 3.4Å
95	L	97.7	Very high	94.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-42.2	172.6	-68.1	169.6	0	0	0	111.6	T91 L92 C93 L97 Q98 S99 V146 Q149 L150 K153	T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 2.99Å; L92-L95 PolarHBondContact O-N 2.95Å; C93-L95 VanDerWaalsContact C-N 3.33Å; C93-L95 PolarHBondContact O-N 3.45Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 3.15Å; L95-Q98 PolarHBondContact O-N 3.47Å; L95-S99 PolarHBondContact O-N 2.64Å; L95-S99 VanDerWaalsContact O-N 3.1Å; L95-V146 HydrophobicContact CB-CG1 3.82Å; L95-V146 HydrophobicContact CD2-CG1 3.84Å; L95-V146 HydrophobicContact CG-CG1 4.44Å; L95-V146 WeakPolarHBondContact O-CG1 3.36Å; L95-Q149 HydrophobicContact CD1-CB 4.46Å; L95-Q149 HydrophobicContact CD2-CB 4.45Å; L95-L150 HydrophobicContact CB-CD1 4.32Å; L95-L150 HydrophobicContact CD1-CB 4.21Å; L95-K153 HydrophobicContact CD1-CD 4.46Å
96	I	97.3	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.2	-46.2	176.4	-71.8	161.3	0	0	0	110.7	F70 R74 L77 L92 C93 Q98 S99 D100 L118 L150	F70-I96 HydrophobicContact CE2-CG1 4.25Å; F70-I96 HydrophobicContact CZ-CG1 4.26Å; R74-I96 HydrophobicContact CB-CD1 4.26Å; R74-I96 HydrophobicContact CB-CG1 4.42Å; R74-I96 HydrophobicContact CG-CD1 4.07Å; R74-I96 HydrophobicContact CG-CG1 4.2Å; R74-I96 HydrophobicContact CG-CG2 3.85Å; L77-I96 HydrophobicContact CD2-CD1 3.64Å; L92-I96 WeakPolarHBondContact O-CG1 3.5Å; L92-I96 PolarHBondContact O-N 2.84Å; C93-I96 PolarHBondContact O-N 3.23Å; I96-Q98 PolarHBondContact O-N 2.98Å; I96-S99 PolarHBondContact O-N 3.35Å; I96-D100 VanDerWaalsContact CG2-OD2 3.3Å; I96-D100 WeakPolarHBondContact CG2-OD2 3.45Å; I96-D100 WeakPolarHBondContact O-CB 3.38Å; I96-D100 PolarHBondContact O-N 2.88Å; I96-L118 HydrophobicContact CB-CD2 4.21Å; I96-L118 HydrophobicContact CG2-CD2 3.53Å; I96-L150 HydrophobicContact CD1-CD1 4.07Å; I96-L150 HydrophobicContact CG1-CD1 3.61Å
97	L	96.6	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-41.5	177.4	-70.1	169.5	0	0	0	112.7	C93 L95 S99 D100 C101 Y113 V114 L117 L118 I131 H135	C93-L97 WeakPolarHBondContact O-CG 3.37Å; C93-L97 PolarHBondContact O-N 2.89Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 3.15Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.42Å; L97-D100 PolarHBondContact O-N 3Å; L97-C101 PolarHBondContact O-N 3.06Å; L97-C101 PolarHBondContact O-SG 3.41Å; L97-Y113 HydrophobicContact CD1-CE2 3.95Å; L97-Y113 HydrophobicContact CD2-CD2 4.13Å; L97-Y113 HydrophobicContact CD2-CE2 4Å; L97-Y113 HydrophobicContact CG-CE2 4.43Å; L97-V114 HydrophobicContact CD1-CG1 4.39Å; L97-V114 HydrophobicContact CD1-CG2 4.04Å; L97-L117 HydrophobicContact CD2-CB 3.97Å; L97-L117 HydrophobicContact CD2-CD1 3.81Å; L97-L118 HydrophobicContact CD1-CD1 4.31Å; L97-L118 HydrophobicContact CD2-CD1 4.49Å; L97-L118 HydrophobicContact CD2-CD2 4.09Å; L97-L118 HydrophobicContact CD2-CG 4.03Å; L97-L118 HydrophobicContact CG-CD1 4.32Å; L97-L118 HydrophobicContact CG-CD2 4.21Å; L97-L118 HydrophobicContact CG-CG 4.31Å; L97-I131 HydrophobicContact CD1-CG2 3.42Å; L97-I131 VanDerWaalsContact CD1-CG2 3.42Å; L97-H135 HydrophobicContact CB-CB 4.42Å; L97-H135 HydrophobicContact CD1-CB 4.23Å
98	Q	96.4	Very high	91.7	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-29.9	178.6	-179.1	71.9	29.8	0	0	112.5	G94 L95 I96 G102 D103 H135 C138 R141 V146	G94-Q98 PolarHBondContact O-N 3.4Å; L95-Q98 PolarHBondContact O-N 3.47Å; I96-Q98 PolarHBondContact O-N 2.98Å; Q98-G102 VanDerWaalsContact O-CA 3.28Å; Q98-G102 WeakPolarHBondContact O-CA 3.38Å; Q98-G102 PolarHBondContact O-N 2.86Å; Q98-D103 PolarHBondContact NE2-OD1 3.36Å; Q98-H135 WeakPolarHBondContact CA-NE2 3.24Å; Q98-H135 PolarHBondContact N-CD2 2.84Å; Q98-H135 PolarHBondContact N-NE2 2.97Å; Q98-C138 HydrophobicContact CB-CB 3.79Å; Q98-C138 HydrophobicContact CG-CB 3.88Å; Q98-C138 WeakPolarHBondContact CG-O 3.38Å; Q98-C138 PolarHBondContact NE2-O 3.08Å; Q98-C138 PolarHBondContact OE1-O 3.44Å; Q98-R141 HydrophobicContact CG-CB 4.43Å; Q98-R141 PolarHBondContact NE2-O 2.78Å; Q98-V146 HydrophobicContact CB-CG1 4.07Å; Q98-V146 HydrophobicContact CB-CG2 4.34Å; Q98-V146 HydrophobicContact CG-CG1 4.3Å; Q98-V146 HydrophobicContact CG-CG2 3.68Å
99	S	95.6	Very high	90.9	Very high	19 Å²	19	38.4 Å²	38.4	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-77.8	-45.7	170.8	171.6	0	0	0	0	111.8	L95 I96 L97 E147	L95-S99 PolarHBondContact O-N 2.64Å; L95-S99 VanDerWaalsContact O-N 3.1Å; I96-S99 PolarHBondContact O-N 3.35Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.42Å; S99-E147 PolarHBondContact OG-OE1 2.94Å
100	D	93.3	Very high	90.2	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-42.3	-176.8	-75.5	-20.4	0	0	0	113.2	R74 I96 L97	R74-D100 IonicContact CZ-OD1 2.73Å; R74-D100 IonicContact CZ-OD2 2.74Å; R74-D100 VanDerWaalsContact CZ-OD2 3.27Å; R74-D100 IonicContact NE-OD1 2.72Å; R74-D100 PolarHBondContact NE-OD1 3.2Å; R74-D100 IonicContact NE-OD2 2.68Å; R74-D100 PolarHBondContact NE-OD2 2.77Å; R74-D100 IonicContact NH2-OD1 2.9Å; R74-D100 IonicContact NH2-OD2 2.6Å; R74-D100 PolarHBondContact NH2-OD2 2.95Å; I96-D100 VanDerWaalsContact CG2-OD2 3.3Å; I96-D100 WeakPolarHBondContact CG2-OD2 3.45Å; I96-D100 WeakPolarHBondContact O-CB 3.38Å; I96-D100 PolarHBondContact O-N 2.88Å; L97-D100 PolarHBondContact O-N 3Å
101	C	92.4	Very high	89.4	Confident	35 Å²	35	42.2 Å²	42.2	24%	0.236	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-9	-172.2	72.4	0	0	0	0	116.2	L97 L109 L117 H135	L97-C101 PolarHBondContact O-N 3.06Å; L97-C101 PolarHBondContact O-SG 3.41Å; C101-L109 HydrophobicContact CB-CD2 4.1Å; C101-L117 HydrophobicContact CB-CD1 3.82Å; C101-H135 VanDerWaalsContact SG-CE1 3.59Å
102	G	92.7	Very high	89	Confident	22 Å²	22	45 Å²	45	23%	0.227	26%	0.261	C	S	.	.			trans	75.3	-168.8	-179.1	0	0	0	0	0	114	Q98 Y104 H135	Q98-G102 VanDerWaalsContact O-CA 3.28Å; Q98-G102 WeakPolarHBondContact O-CA 3.38Å; Q98-G102 PolarHBondContact O-N 2.86Å; G102-Y104 PolarHBondContact O-N 2.99Å; G102-H135 PolarHBondContact O-CE1 3.12Å; G102-H135 PolarHBondContact O-NE2 3.42Å; G102-H135 VanDerWaalsContact O-NE2 3.11Å
103	D	92.9	Very high	88.7	Confident	84 Å²	84	45.3 Å²	45.3	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	-46.7	125.2	-168.4	-67.4	-22.5	0	0	0	115	Q98 G105 R139 C140	Q98-D103 PolarHBondContact NE2-OD1 3.36Å; D103-G105 PolarHBondContact O-N 2.81Å; D103-G105 VanDerWaalsContact O-N 3.11Å; D103-R139 HydrophobicContact CB-CG 4.3Å; D103-R139 WeakPolarHBondContact OD1-CA 3.18Å; D103-C140 PolarHBondContact OD1-N 3.16Å
104	Y	89.7	Confident	88.6	Confident	44 Å²	44	45.3 Å²	45.3	17%	0.173	26%	0.262	C	S	.	.			trans	-55.8	114.5	176.7	175.1	-118.3	0	0	0	113.1	G102 L109 Y113 H135 E136 R139	G102-Y104 PolarHBondContact O-N 2.99Å; Y104-L109 HydrophobicContact CD2-CD1 4.01Å; Y104-Y113 HydrophobicContact CD2-CE1 4.26Å; Y104-Y113 AromaticContact CD2-CZ 3.94Å; Y104-Y113 VanDerWaalsContact CD2-OH 3.3Å; Y104-Y113 WeakPolarHBondContact CD2-OH 3.43Å; Y104-Y113 AromaticContact CE2-CE1 3.99Å; Y104-Y113 HydrophobicContact CE2-CE1 3.99Å; Y104-H135 AromaticContact CD2-ND1 3.95Å; Y104-E136 HydrophobicContact CD1-CB 3.64Å; Y104-E136 HydrophobicContact CD1-CG 3.93Å; Y104-E136 HydrophobicContact CE1-CB 4.26Å; Y104-E136 HydrophobicContact CE1-CG 4.45Å; Y104-E136 WeakPolarHBondContact CE1-OE2 3.3Å; Y104-E136 HydrophobicContact CG-CB 4.42Å; Y104-R139 VanDerWaalsContact CD1-NH2 3.34Å; Y104-R139 PolarHBondContact O-NE 3.01Å; Y104-R139 PolarHBondContact O-NH2 3.47Å
105	G	83.2	Confident	88.3	Confident	23 Å²	23	51.6 Å²	51.6	24%	0.237	29%	0.29	C	S	.	.			trans	-135.9	114.9	169.6	0	0	0	0	0	111.3	D103 D107 R108 L109	D103-G105 PolarHBondContact O-N 2.81Å; D103-G105 VanDerWaalsContact O-N 3.11Å; G105-D107 VanDerWaalsContact C-N 3.35Å; G105-D107 PolarHBondContact O-N 2.75Å; G105-R108 PolarHBondContact O-N 3.47Å; G105-R108 VanDerWaalsContact O-N 3.08Å; G105-L109 PolarHBondContact O-N 3.27Å
106	A	69.7	Low	88	Confident	57 Å²	57	57.6 Å²	57.6	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-53.2	-47	-172.8	0	0	0	0	0	113.3	R108 G110	A106-R108 PolarHBondContact O-N 3.31Å; A106-G110 PolarHBondContact O-N 3.31Å
107	D	70.8	Confident	87.7	Confident	166 Å²	166	59.7 Å²	59.7	89%	0.888	33%	0.329	S	S	*	.	H	α-helix	trans	-66.2	-18.8	-177.5	-48.8	-40.5	0	0	0	114.2	G105	G105-D107 VanDerWaalsContact C-N 3.35Å; G105-D107 PolarHBondContact O-N 2.75Å
108	R	77.9	Confident	87.6	Confident	202 Å²	202	59.8 Å²	59.8	76%	0.762	33%	0.329	S	S	*	.	H	α-helix	trans	-99.7	-35.4	-172.8	-68.3	-175	176.1	-178	0.2	113.7	G105 A106	G105-R108 PolarHBondContact O-N 3.47Å; G105-R108 VanDerWaalsContact O-N 3.08Å; A106-R108 PolarHBondContact O-N 3.31Å
109	L	80.1	Confident	87.3	Confident	33 Å²	33	67.3 Å²	67.3	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-92	-24.3	-174.5	-60.8	172.1	0	0	0	111.9	C101 Y104 G105 Y113	C101-L109 HydrophobicContact CB-CD2 4.1Å; Y104-L109 HydrophobicContact CD2-CD1 4.01Å; G105-L109 PolarHBondContact O-N 3.27Å; L109-Y113 HydrophobicContact CB-CD1 3.91Å; L109-Y113 HydrophobicContact CB-CD2 4.21Å; L109-Y113 HydrophobicContact CB-CE1 4.47Å; L109-Y113 HydrophobicContact CB-CG 3.75Å; L109-Y113 HydrophobicContact CD1-CD2 4Å; L109-Y113 HydrophobicContact CD1-CE1 4.41Å; L109-Y113 HydrophobicContact CD1-CE2 3.88Å; L109-Y113 HydrophobicContact CD1-CG 4.33Å; L109-Y113 WeakPolarHBondContact O-CB 3.33Å
110	G	81.5	Confident	87.1	Confident	42 Å²	42	67.1 Å²	67.1	43%	0.433	36%	0.359	S	S	.	.			trans	74.1	169.5	-174	0	0	0	0	0	112.6	A106 N112 Y113	A106-G110 PolarHBondContact O-N 3.31Å; G110-N112 VanDerWaalsContact C-N 3.31Å; G110-N112 PolarHBondContact O-N 3.06Å; G110-Y113 WeakPolarHBondContact O-CD1 3.48Å
111	S	81.8	Confident	86.8	Confident	85 Å²	85	70.9 Å²	70.9	59%	0.594	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.7	-170.8	56	0	0	0	0	114.1	K132	S111-K132 WeakPolarHBondContact O-CE 3.36Å; S111-K132 PolarHBondContact O-NZ 3.29Å
112	N	87.2	Confident	86.4	Confident	92 Å²	92	75.8 Å²	75.8	49%	0.492	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	10.9	-163.7	-58.2	-4.3	0	0	0	113.9	G110 V114 K115 Q116	G110-N112 VanDerWaalsContact C-N 3.31Å; G110-N112 PolarHBondContact O-N 3.06Å; N112-V114 VanDerWaalsContact C-N 3.3Å; N112-V114 PolarHBondContact O-N 3.27Å; N112-K115 PolarHBondContact O-N 3.41Å; N112-K115 VanDerWaalsContact O-N 3.15Å; N112-Q116 PolarHBondContact O-N 3.3Å
113	Y	93	Very high	86.3	Confident	7 Å²	7	76 Å²	76	3%	0.027	41%	0.405	C	S	.	.	H	α-helix	trans	-58.7	-37.8	-170.5	78.8	-82.1	0	0	0	113.7	L97 Y104 L109 G110 K115 Q116 L117 K132 H135	L97-Y113 HydrophobicContact CD1-CE2 3.95Å; L97-Y113 HydrophobicContact CD2-CD2 4.13Å; L97-Y113 HydrophobicContact CD2-CE2 4Å; L97-Y113 HydrophobicContact CG-CE2 4.43Å; Y104-Y113 HydrophobicContact CD2-CE1 4.26Å; Y104-Y113 AromaticContact CD2-CZ 3.94Å; Y104-Y113 VanDerWaalsContact CD2-OH 3.3Å; Y104-Y113 WeakPolarHBondContact CD2-OH 3.43Å; Y104-Y113 AromaticContact CE2-CE1 3.99Å; Y104-Y113 HydrophobicContact CE2-CE1 3.99Å; L109-Y113 HydrophobicContact CB-CD1 3.91Å; L109-Y113 HydrophobicContact CB-CD2 4.21Å; L109-Y113 HydrophobicContact CB-CE1 4.47Å; L109-Y113 HydrophobicContact CB-CG 3.75Å; L109-Y113 HydrophobicContact CD1-CD2 4Å; L109-Y113 HydrophobicContact CD1-CE1 4.41Å; L109-Y113 HydrophobicContact CD1-CE2 3.88Å; L109-Y113 HydrophobicContact CD1-CG 4.33Å; L109-Y113 WeakPolarHBondContact O-CB 3.33Å; G110-Y113 WeakPolarHBondContact O-CD1 3.48Å; Y113-K115 VanDerWaalsContact C-N 3.34Å; Y113-K115 PolarHBondContact O-N 2.87Å; Y113-Q116 PolarHBondContact O-N 3.31Å; Y113-L117 HydrophobicContact CD2-CD1 4.2Å; Y113-L117 WeakPolarHBondContact O-CB 3.34Å; Y113-L117 WeakPolarHBondContact O-CG 3.36Å; Y113-L117 PolarHBondContact O-N 2.88Å; Y113-K132 HydrophobicContact CE1-CD 4.4Å; Y113-K132 HydrophobicContact CE1-CG 3.96Å; Y113-H135 AromaticContact CE2-CE1 3.86Å; Y113-H135 AromaticContact CE2-ND1 3.47Å; Y113-H135 WeakPolarHBondContact CE2-ND1 3.42Å; Y113-H135 AromaticContact CZ-ND1 3.59Å; Y113-H135 PolarHBondContact OH-ND1 3.27Å
114	V	93.7	Very high	86.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-59.5	-46.4	178.3	-176.5	0	0	0	0	110.7	L97 N112 Q116 L118 L123 E128 I131 K132	L97-V114 HydrophobicContact CD1-CG1 4.39Å; L97-V114 HydrophobicContact CD1-CG2 4.04Å; N112-V114 VanDerWaalsContact C-N 3.3Å; N112-V114 PolarHBondContact O-N 3.27Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 2.95Å; V114-L118 HydrophobicContact CG1-CD1 3.75Å; V114-L118 HydrophobicContact CG1-CG 4.33Å; V114-L118 WeakPolarHBondContact O-CB 3.23Å; V114-L118 PolarHBondContact O-N 3.35Å; V114-L123 HydrophobicContact CG1-CD2 4.18Å; V114-E128 HydrophobicContact CB-CG 3.81Å; V114-E128 HydrophobicContact CG1-CG 4.03Å; V114-E128 HydrophobicContact CG2-CG 4.04Å; V114-I131 HydrophobicContact CG1-CB 4.39Å; V114-I131 HydrophobicContact CG1-CG2 3.77Å; V114-I131 HydrophobicContact CG2-CG2 4.4Å; V114-K132 HydrophobicContact CG2-CD 4.43Å; V114-K132 HydrophobicContact CG2-CG 3.79Å
115	K	91.5	Very high	86.4	Confident	132 Å²	132	82.3 Å²	82.3	57%	0.574	44%	0.436	S	S	*	.	H	α-helix	trans	-64	-36.4	177.6	-169	167.5	-175.7	167	0	112.4	N112 Y113 K119 L123	N112-K115 PolarHBondContact O-N 3.41Å; N112-K115 VanDerWaalsContact O-N 3.15Å; Y113-K115 VanDerWaalsContact C-N 3.34Å; Y113-K115 PolarHBondContact O-N 2.87Å; K115-K119 WeakPolarHBondContact O-CA 3.44Å; K115-K119 PolarHBondContact O-N 2.99Å; K115-L123 HydrophobicContact CB-CD2 3.81Å; K115-L123 HydrophobicContact CG-CD2 4.18Å
116	Q	90	Very high	87	Confident	130 Å²	130	86.9 Å²	86.9	61%	0.607	45%	0.451	S	S	*	.	H	α-helix	trans	-74.1	-40.6	179.1	-68.8	179.7	-10.1	0	0	113.5	N112 Y113 V114 K119	N112-Q116 PolarHBondContact O-N 3.3Å; Y113-Q116 PolarHBondContact O-N 3.31Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 2.95Å; Q116-K119 WeakPolarHBondContact O-CE 3.43Å; Q116-K119 VanDerWaalsContact O-CG 3.28Å; Q116-K119 WeakPolarHBondContact O-CG 3.1Å
117	L	92.4	Very high	88.2	Confident	44 Å²	44	85.2 Å²	85.2	23%	0.23	43%	0.434	C	S	.	.	H	α-helix	trans	-85	-44.5	-175.4	-65.2	177.8	0	0	0	113.1	R74 L97 C101 Y113	R74-L117 PolarHBondContact NH2-O 3.32Å; L97-L117 HydrophobicContact CD2-CB 3.97Å; L97-L117 HydrophobicContact CD2-CD1 3.81Å; C101-L117 HydrophobicContact CB-CD1 3.82Å; Y113-L117 HydrophobicContact CD2-CD1 4.2Å; Y113-L117 WeakPolarHBondContact O-CB 3.34Å; Y113-L117 WeakPolarHBondContact O-CG 3.36Å; Y113-L117 PolarHBondContact O-N 2.88Å
118	L	93.8	Very high	89.3	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-86.3	-26.8	-178.2	-56.5	-176	0	0	0	113.1	I78 C93 I96 L97 V114 L120 I131	I78-L118 HydrophobicContact CD1-CD2 4.38Å; I78-L118 WeakPolarHBondContact CG2-O 3.39Å; C93-L118 HydrophobicContact CB-CD1 3.78Å; I96-L118 HydrophobicContact CB-CD2 4.21Å; I96-L118 HydrophobicContact CG2-CD2 3.53Å; L97-L118 HydrophobicContact CD1-CD1 4.31Å; L97-L118 HydrophobicContact CD2-CD1 4.49Å; L97-L118 HydrophobicContact CD2-CD2 4.09Å; L97-L118 HydrophobicContact CD2-CG 4.03Å; L97-L118 HydrophobicContact CG-CD1 4.32Å; L97-L118 HydrophobicContact CG-CD2 4.21Å; L97-L118 HydrophobicContact CG-CG 4.31Å; V114-L118 HydrophobicContact CG1-CD1 3.75Å; V114-L118 HydrophobicContact CG1-CG 4.33Å; V114-L118 WeakPolarHBondContact O-CB 3.23Å; V114-L118 PolarHBondContact O-N 3.35Å; L118-L120 HydrophobicContact CB-CD1 4.11Å; L118-L120 HydrophobicContact CB-CG 3.92Å; L118-L120 HydrophobicContact CD1-CD1 4.09Å; L118-L120 PolarHBondContact O-N 3.49Å; L118-L120 VanDerWaalsContact O-N 3.09Å; L118-I131 HydrophobicContact CD1-CD1 4.3Å; L118-I131 HydrophobicContact CD1-CG2 4.1Å
119	K	90.8	Very high	90.1	Very high	161 Å²	161	74.6 Å²	74.6	70%	0.7	39%	0.388	S	S	*	.			trans	51	32.5	177.4	-56.1	-172.3	178.7	-175.4	0	114.7	K115 Q116	K115-K119 WeakPolarHBondContact O-CA 3.44Å; K115-K119 PolarHBondContact O-N 2.99Å; Q116-K119 WeakPolarHBondContact O-CE 3.43Å; Q116-K119 VanDerWaalsContact O-CG 3.28Å; Q116-K119 WeakPolarHBondContact O-CG 3.1Å
120	L	90.8	Very high	90.9	Very high	16 Å²	16	77 Å²	77	8%	0.084	40%	0.395	C	S	.	.			trans	-67.3	130.3	-178.6	-67.1	170.7	0	0	0	110.9	I78 F89 L118 N122 L123 I131	I78-L120 HydrophobicContact CB-CD2 4.22Å; I78-L120 HydrophobicContact CG1-CD2 4.03Å; I78-L120 HydrophobicContact CG2-CD2 4.19Å; F89-L120 HydrophobicContact CE1-CD1 3.83Å; F89-L120 HydrophobicContact CZ-CD1 3.69Å; F89-L120 HydrophobicContact CZ-CD2 3.76Å; F89-L120 HydrophobicContact CZ-CG 4.38Å; L118-L120 HydrophobicContact CB-CD1 4.11Å; L118-L120 HydrophobicContact CB-CG 3.92Å; L118-L120 HydrophobicContact CD1-CD1 4.09Å; L118-L120 PolarHBondContact O-N 3.49Å; L118-L120 VanDerWaalsContact O-N 3.09Å; L120-N122 PolarHBondContact O-N 3.25Å; L120-L123 HydrophobicContact CB-CB 4.15Å; L120-L123 HydrophobicContact CD1-CD1 4.42Å; L120-I131 HydrophobicContact CD1-CD1 4.3Å
121	P	86.3	Confident	91.6	Very high	113 Å²	113	75 Å²	75	73%	0.734	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.4	-178.3	26	-33.6	0	0	0	112.3	L123	P121-L123 PolarHBondContact O-N 2.79Å
122	N	85	Confident	92.2	Very high	138 Å²	138	73.2 Å²	73.2	74%	0.738	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	28.7	-174.1	-60.8	-12.2	0	0	0	112.7	L120 N124	L120-N122 PolarHBondContact O-N 3.25Å; N122-N124 PolarHBondContact O-N 3.42Å; N122-N124 VanDerWaalsContact O-N 3.12Å
123	L	90.7	Very high	92.6	Very high	26 Å²	26	73.2 Å²	73.2	14%	0.136	36%	0.355	C	S	.	.			trans	-74.5	101.7	-179.3	-171	62.3	0	0	0	111.1	V114 K115 L120 P121 L127 E128 I131	V114-L123 HydrophobicContact CG1-CD2 4.18Å; K115-L123 HydrophobicContact CB-CD2 3.81Å; K115-L123 HydrophobicContact CG-CD2 4.18Å; L120-L123 HydrophobicContact CB-CB 4.15Å; L120-L123 HydrophobicContact CD1-CD1 4.42Å; P121-L123 PolarHBondContact O-N 2.79Å; L123-L127 HydrophobicContact CD1-CB 4.44Å; L123-L127 HydrophobicContact CD1-CD2 4.28Å; L123-L127 HydrophobicContact CD1-CG 4.23Å; L123-E128 HydrophobicContact CD1-CB 3.84Å; L123-E128 HydrophobicContact CD1-CG 4.44Å; L123-E128 HydrophobicContact CD2-CB 4.42Å; L123-E128 HydrophobicContact CD2-CG 4.34Å; L123-E128 WeakPolarHBondContact CD2-OE2 3.45Å; L123-E128 HydrophobicContact CG-CB 4.11Å; L123-I131 HydrophobicContact CD1-CD1 4.36Å
124	N	92.4	Very high	92.8	Very high	89 Å²	89	75.3 Å²	75.3	48%	0.476	36%	0.364	S	S	.	.			trans	-92.3	166.1	167.2	73.9	25.2	0	0	0	111.2	N122 Q126 L127 E128	N122-N124 PolarHBondContact O-N 3.42Å; N122-N124 VanDerWaalsContact O-N 3.12Å; N124-Q126 PolarHBondContact O-N 3.47Å; N124-Q126 PolarHBondContact OD1-N 3.44Å; N124-L127 PolarHBondContact O-N 2.99Å; N124-L127 WeakPolarHBondContact OD1-CB 3.25Å; N124-L127 PolarHBondContact OD1-N 3.48Å; N124-E128 WeakPolarHBondContact O-CB 3.38Å; N124-E128 PolarHBondContact O-N 3.5Å
125	E	92.7	Very high	92.9	Very high	172 Å²	172	75.3 Å²	75.3	80%	0.804	36%	0.364	S	S	*	.	H	α-helix	trans	-61.6	-40.7	-174.4	-172.9	168.5	-151.9	0	0	113.1	E128 E129	E125-E128 PolarHBondContact O-N 2.86Å; E125-E129 WeakPolarHBondContact O-CB 3.18Å; E125-E129 PolarHBondContact O-N 2.93Å
126	Q	94.4	Very high	93.1	Very high	118 Å²	118	73 Å²	73	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-66.1	-38.4	178.9	-65.2	177.8	-13.4	0	0	112.7	N124 R130	N124-Q126 PolarHBondContact O-N 3.47Å; N124-Q126 PolarHBondContact OD1-N 3.44Å; Q126-R130 WeakPolarHBondContact O-CB 3.46Å; Q126-R130 WeakPolarHBondContact O-CG 3.4Å; Q126-R130 PolarHBondContact O-N 3.39Å; Q126-R130 VanDerWaalsContact O-N 3.12Å
127	L	94.8	Very high	93.3	Very high	22 Å²	22	70.7 Å²	70.7	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-40.8	174.2	-177.8	62.1	0	0	0	110.7	F89 V90 L123 N124 R130 I131	F89-L127 HydrophobicContact CD1-CD1 4.32Å; F89-L127 HydrophobicContact CE1-CD2 4.27Å; V90-L127 HydrophobicContact CG2-CD1 3.63Å; L123-L127 HydrophobicContact CD1-CB 4.44Å; L123-L127 HydrophobicContact CD1-CD2 4.28Å; L123-L127 HydrophobicContact CD1-CG 4.23Å; N124-L127 PolarHBondContact O-N 2.99Å; N124-L127 WeakPolarHBondContact OD1-CB 3.25Å; N124-L127 PolarHBondContact OD1-N 3.48Å; L127-R130 PolarHBondContact O-N 3.42Å; L127-I131 HydrophobicContact CD1-CD1 4.18Å; L127-I131 HydrophobicContact CD1-CG1 4.5Å; L127-I131 HydrophobicContact CG-CD1 3.96Å; L127-I131 WeakPolarHBondContact O-CB 3.33Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.03Å
128	E	95	Very high	93.4	Very high	25 Å²	25	68.7 Å²	68.7	12%	0.117	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-42.6	176.6	-170.3	170	157.6	0	0	112	V114 L123 N124 E125 I131 K132	V114-E128 HydrophobicContact CB-CG 3.81Å; V114-E128 HydrophobicContact CG1-CG 4.03Å; V114-E128 HydrophobicContact CG2-CG 4.04Å; L123-E128 HydrophobicContact CD1-CB 3.84Å; L123-E128 HydrophobicContact CD1-CG 4.44Å; L123-E128 HydrophobicContact CD2-CB 4.42Å; L123-E128 HydrophobicContact CD2-CG 4.34Å; L123-E128 WeakPolarHBondContact CD2-OE2 3.45Å; L123-E128 HydrophobicContact CG-CB 4.11Å; N124-E128 WeakPolarHBondContact O-CB 3.38Å; N124-E128 PolarHBondContact O-N 3.5Å; E125-E128 PolarHBondContact O-N 2.86Å; E128-I131 PolarHBondContact O-N 3.03Å; E128-K132 HydrophobicContact CG-CD 4.3Å; E128-K132 VanDerWaalsContact O-CG 3.31Å; E128-K132 WeakPolarHBondContact O-CG 3.3Å; E128-K132 PolarHBondContact O-N 2.73Å; E128-K132 WeakPolarHBondContact OE1-CE 3.41Å; E128-K132 IonicContact OE1-NZ 3.7Å; E128-K132 PolarHBondContact OE1-NZ 2.93Å
129	E	94.6	Very high	93.3	Very high	121 Å²	121	73.5 Å²	73.5	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-61.4	-48.3	174.3	-176.9	175.7	-148.2	0	0	111.8	E125 I131 K132 I133	E125-E129 WeakPolarHBondContact O-CB 3.18Å; E125-E129 PolarHBondContact O-N 2.93Å; E129-I131 VanDerWaalsContact C-N 3.29Å; E129-I131 PolarHBondContact O-N 3.48Å; E129-K132 WeakPolarHBondContact O-CB 3.5Å; E129-K132 PolarHBondContact O-N 3.48Å; E129-I133 HydrophobicContact CG-CD1 4.1Å; E129-I133 WeakPolarHBondContact O-CG1 3.49Å; E129-I133 PolarHBondContact O-N 3.39Å
130	R	96.5	Very high	93.4	Very high	83 Å²	83	70.8 Å²	70.8	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-37.7	176.6	-76.7	167.2	65.1	-162.8	-2.1	112.3	E86 N87 V90 Q126 L127 K134	E86-R130 IonicContact OE1-CZ 3.85Å; E86-R130 IonicContact OE1-NH1 3.27Å; E86-R130 PolarHBondContact OE1-NH1 3.42Å; E86-R130 IonicContact OE1-NH2 2.68Å; E86-R130 PolarHBondContact OE1-NH2 3.29Å; N87-R130 PolarHBondContact OD1-NH2 2.86Å; V90-R130 HydrophobicContact CG1-CB 4.09Å; V90-R130 WeakPolarHBondContact CG1-O 3.39Å; V90-R130 HydrophobicContact CG2-CB 4.1Å; Q126-R130 WeakPolarHBondContact O-CB 3.46Å; Q126-R130 WeakPolarHBondContact O-CG 3.4Å; Q126-R130 PolarHBondContact O-N 3.39Å; Q126-R130 VanDerWaalsContact O-N 3.12Å; L127-R130 PolarHBondContact O-N 3.42Å; R130-K134 VanDerWaalsContact O-CB 3.31Å; R130-K134 WeakPolarHBondContact O-CB 3.47Å; R130-K134 PolarHBondContact O-N 2.69Å
131	I	96.7	Very high	93.5	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-38.9	173.6	-70.2	169	0	0	0	111.4	F89 V90 C93 L97 V114 L118 L120 L123 L127 E128 E129 K134 H135	F89-I131 HydrophobicContact CE1-CD1 4.41Å; V90-I131 HydrophobicContact CG1-CG1 4.44Å; V90-I131 HydrophobicContact CG2-CG1 4.24Å; C93-I131 HydrophobicContact CB-CD1 3.85Å; C93-I131 HydrophobicContact CB-CG1 3.89Å; C93-I131 HydrophobicContact CB-CG2 4.03Å; L97-I131 HydrophobicContact CD1-CG2 3.42Å; L97-I131 VanDerWaalsContact CD1-CG2 3.42Å; V114-I131 HydrophobicContact CG1-CB 4.39Å; V114-I131 HydrophobicContact CG1-CG2 3.77Å; V114-I131 HydrophobicContact CG2-CG2 4.4Å; L118-I131 HydrophobicContact CD1-CD1 4.3Å; L118-I131 HydrophobicContact CD1-CG2 4.1Å; L120-I131 HydrophobicContact CD1-CD1 4.3Å; L123-I131 HydrophobicContact CD1-CD1 4.36Å; L127-I131 HydrophobicContact CD1-CD1 4.18Å; L127-I131 HydrophobicContact CD1-CG1 4.5Å; L127-I131 HydrophobicContact CG-CD1 3.96Å; L127-I131 WeakPolarHBondContact O-CB 3.33Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.03Å; E128-I131 PolarHBondContact O-N 3.03Å; E129-I131 VanDerWaalsContact C-N 3.29Å; E129-I131 PolarHBondContact O-N 3.48Å; I131-K134 PolarHBondContact O-N 3.47Å; I131-H135 WeakPolarHBondContact O-CB 3.22Å; I131-H135 PolarHBondContact O-N 3.32Å
132	K	95.1	Very high	93.9	Very high	48 Å²	48	75.7 Å²	75.7	21%	0.209	36%	0.364	C	S	.	.	H	α-helix	trans	-63	-47.3	175.3	-74.6	167.2	-179.5	167.8	0	112.1	S111 Y113 V114 E128 E129 K134 H135 E136	S111-K132 WeakPolarHBondContact O-CE 3.36Å; S111-K132 PolarHBondContact O-NZ 3.29Å; Y113-K132 HydrophobicContact CE1-CD 4.4Å; Y113-K132 HydrophobicContact CE1-CG 3.96Å; V114-K132 HydrophobicContact CG2-CD 4.43Å; V114-K132 HydrophobicContact CG2-CG 3.79Å; E128-K132 HydrophobicContact CG-CD 4.3Å; E128-K132 VanDerWaalsContact O-CG 3.31Å; E128-K132 WeakPolarHBondContact O-CG 3.3Å; E128-K132 PolarHBondContact O-N 2.73Å; E128-K132 WeakPolarHBondContact OE1-CE 3.41Å; E128-K132 IonicContact OE1-NZ 3.7Å; E128-K132 PolarHBondContact OE1-NZ 2.93Å; E129-K132 WeakPolarHBondContact O-CB 3.5Å; E129-K132 PolarHBondContact O-N 3.48Å; K132-K134 VanDerWaalsContact C-N 3.29Å; K132-K134 PolarHBondContact O-N 2.92Å; K132-H135 WeakPolarHBondContact O-CB 3.27Å; K132-H135 PolarHBondContact O-N 2.94Å; K132-H135 VanDerWaalsContact O-N 3.16Å; K132-E136 PolarHBondContact O-N 3.12Å
133	I	95.4	Very high	94.3	Very high	91 Å²	91	72 Å²	72	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-44.9	174.3	-64.8	164.3	0	0	0	110.1	E129 H135 E136 D137	E129-I133 HydrophobicContact CG-CD1 4.1Å; E129-I133 WeakPolarHBondContact O-CG1 3.49Å; E129-I133 PolarHBondContact O-N 3.39Å; I133-H135 VanDerWaalsContact C-N 3.28Å; I133-H135 PolarHBondContact O-N 2.64Å; I133-E136 WeakPolarHBondContact O-CB 3.38Å; I133-E136 PolarHBondContact O-N 2.87Å; I133-E136 VanDerWaalsContact O-N 3.14Å; I133-D137 PolarHBondContact O-N 3.13Å; I133-D137 VanDerWaalsContact O-N 3.08Å
134	K	96.4	Very high	94.5	Very high	52 Å²	52	71.7 Å²	71.7	23%	0.226	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-29.7	179.4	-162.6	64.6	-101.5	160.1	0	113.4	V90 R130 I131 K132 D137 C138	V90-K134 HydrophobicContact CG1-CB 3.82Å; V90-K134 HydrophobicContact CG1-CD 4.5Å; V90-K134 HydrophobicContact CG1-CG 4.02Å; V90-K134 WeakPolarHBondContact O-CG 3.26Å; R130-K134 VanDerWaalsContact O-CB 3.31Å; R130-K134 WeakPolarHBondContact O-CB 3.47Å; R130-K134 PolarHBondContact O-N 2.69Å; I131-K134 PolarHBondContact O-N 3.47Å; K132-K134 VanDerWaalsContact C-N 3.29Å; K132-K134 PolarHBondContact O-N 2.92Å; K134-D137 VanDerWaalsContact CE-OD2 3.32Å; K134-D137 WeakPolarHBondContact CE-OD2 3.13Å; K134-D137 IonicContact NZ-OD2 3.91Å; K134-D137 PolarHBondContact NZ-OD2 3.32Å; K134-C138 PolarHBondContact O-SG 3.42Å
135	H	96.2	Very high	94.6	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-72.9	-37.3	172.6	-172.9	-147.6	0	0	0	111.5	L97 Q98 C101 G102 Y104 Y113 I131 K132 I133 D137 C138	L97-H135 HydrophobicContact CB-CB 4.42Å; L97-H135 HydrophobicContact CD1-CB 4.23Å; Q98-H135 WeakPolarHBondContact CA-NE2 3.24Å; Q98-H135 PolarHBondContact N-CD2 2.84Å; Q98-H135 PolarHBondContact N-NE2 2.97Å; C101-H135 VanDerWaalsContact SG-CE1 3.59Å; G102-H135 PolarHBondContact O-CE1 3.12Å; G102-H135 PolarHBondContact O-NE2 3.42Å; G102-H135 VanDerWaalsContact O-NE2 3.11Å; Y104-H135 AromaticContact CD2-ND1 3.95Å; Y113-H135 AromaticContact CE2-CE1 3.86Å; Y113-H135 AromaticContact CE2-ND1 3.47Å; Y113-H135 WeakPolarHBondContact CE2-ND1 3.42Å; Y113-H135 AromaticContact CZ-ND1 3.59Å; Y113-H135 PolarHBondContact OH-ND1 3.27Å; I131-H135 WeakPolarHBondContact O-CB 3.22Å; I131-H135 PolarHBondContact O-N 3.32Å; K132-H135 WeakPolarHBondContact O-CB 3.27Å; K132-H135 PolarHBondContact O-N 2.94Å; K132-H135 VanDerWaalsContact O-N 3.16Å; I133-H135 VanDerWaalsContact C-N 3.28Å; I133-H135 PolarHBondContact O-N 2.64Å; H135-D137 PolarHBondContact O-N 3.07Å; H135-C138 WeakPolarHBondContact O-CB 3.42Å; H135-C138 PolarHBondContact O-N 3.03Å
136	E	95.1	Very high	94.8	Very high	82 Å²	82	63 Å²	63	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-41	172.4	-174.3	147.7	-147	0	0	112.7	Y104 K132 I133 C138 R139	Y104-E136 HydrophobicContact CD1-CB 3.64Å; Y104-E136 HydrophobicContact CD1-CG 3.93Å; Y104-E136 HydrophobicContact CE1-CB 4.26Å; Y104-E136 HydrophobicContact CE1-CG 4.45Å; Y104-E136 WeakPolarHBondContact CE1-OE2 3.3Å; Y104-E136 HydrophobicContact CG-CB 4.42Å; K132-E136 PolarHBondContact O-N 3.12Å; I133-E136 WeakPolarHBondContact O-CB 3.38Å; I133-E136 PolarHBondContact O-N 2.87Å; I133-E136 VanDerWaalsContact O-N 3.14Å; E136-C138 PolarHBondContact O-N 3.27Å; E136-C138 VanDerWaalsContact O-N 3.12Å; E136-R139 WeakPolarHBondContact O-CG 3.44Å; E136-R139 PolarHBondContact O-N 2.95Å; E136-R139 IonicContact OE1-CZ 2.8Å; E136-R139 IonicContact OE1-NH1 3.87Å; E136-R139 PolarHBondContact OE1-NH1 2.97Å; E136-R139 IonicContact OE1-NH2 2.6Å; E136-R139 PolarHBondContact OE1-NH2 2.87Å
137	D	94.8	Very high	94.9	Very high	83 Å²	83	57.6 Å²	57.6	44%	0.444	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.3	172.2	-68.2	-34	0	0	0	114.2	I133 K134 H135 R141	I133-D137 PolarHBondContact O-N 3.13Å; I133-D137 VanDerWaalsContact O-N 3.08Å; K134-D137 VanDerWaalsContact CE-OD2 3.32Å; K134-D137 WeakPolarHBondContact CE-OD2 3.13Å; K134-D137 IonicContact NZ-OD2 3.91Å; K134-D137 PolarHBondContact NZ-OD2 3.32Å; H135-D137 PolarHBondContact O-N 3.07Å; D137-R141 PolarHBondContact O-NH2 2.69Å
138	C	93.1	Very high	95	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.014	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.9	-175.8	-66.7	0	0	0	0	114.3	Q98 K134 H135 E136 R141	Q98-C138 HydrophobicContact CB-CB 3.79Å; Q98-C138 HydrophobicContact CG-CB 3.88Å; Q98-C138 WeakPolarHBondContact CG-O 3.38Å; Q98-C138 PolarHBondContact NE2-O 3.08Å; Q98-C138 PolarHBondContact OE1-O 3.44Å; K134-C138 PolarHBondContact O-SG 3.42Å; H135-C138 WeakPolarHBondContact O-CB 3.42Å; H135-C138 PolarHBondContact O-N 3.03Å; E136-C138 PolarHBondContact O-N 3.27Å; E136-C138 VanDerWaalsContact O-N 3.12Å; C138-R141 WeakPolarHBondContact O-CB 3.31Å; C138-R141 WeakPolarHBondContact O-CD 3.3Å; C138-R141 WeakPolarHBondContact O-CG 3.26Å
139	R	93.2	Very high	95	Very high	101 Å²	101	61.9 Å²	61.9	38%	0.381	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	152.3	177.8	-78	-176	-178.8	133	6	114	D103 Y104 E136 R141	D103-R139 HydrophobicContact CB-CG 4.3Å; D103-R139 WeakPolarHBondContact OD1-CA 3.18Å; Y104-R139 VanDerWaalsContact CD1-NH2 3.34Å; Y104-R139 PolarHBondContact O-NE 3.01Å; Y104-R139 PolarHBondContact O-NH2 3.47Å; E136-R139 WeakPolarHBondContact O-CG 3.44Å; E136-R139 PolarHBondContact O-N 2.95Å; E136-R139 IonicContact OE1-CZ 2.8Å; E136-R139 IonicContact OE1-NH1 3.87Å; E136-R139 PolarHBondContact OE1-NH1 2.97Å; E136-R139 IonicContact OE1-NH2 2.6Å; E136-R139 PolarHBondContact OE1-NH2 2.87Å; R139-R141 PolarHBondContact O-N 2.9Å
140	C	92.6	Very high	95.2	Very high	104 Å²	104	56.2 Å²	56.2	70%	0.703	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	15.2	179.8	-56.5	0	0	0	0	114.7	D103	D103-C140 PolarHBondContact OD1-N 3.16Å
141	R	93.2	Very high	95.2	Very high	87 Å²	87	52.3 Å²	52.3	33%	0.328	26%	0.257	S	S	.	.			trans	-100	134.8	176.3	-57	176.4	-159.6	-146.2	6.6	110.9	Q98 D137 C138 R139 V146	Q98-R141 HydrophobicContact CG-CB 4.43Å; Q98-R141 PolarHBondContact NE2-O 2.78Å; D137-R141 PolarHBondContact O-NH2 2.69Å; C138-R141 WeakPolarHBondContact O-CB 3.31Å; C138-R141 WeakPolarHBondContact O-CD 3.3Å; C138-R141 WeakPolarHBondContact O-CG 3.26Å; R139-R141 PolarHBondContact O-N 2.9Å; R141-V146 HydrophobicContact CB-CG2 3.42Å; R141-V146 VanDerWaalsContact CB-CG2 3.42Å; R141-V146 HydrophobicContact CG-CG2 4.44Å
142	Q	93.4	Very high	95.2	Very high	145 Å²	145	55.3 Å²	55.3	68%	0.678	27%	0.274	S	S	*	.			trans	-73.5	144.2	175.8	-65.9	178.5	-17.4	0	0	111.3	A144 L145 V146	Q142-A144 PolarHBondContact O-N 2.89Å; Q142-L145 WeakPolarHBondContact O-CB 3.38Å; Q142-L145 PolarHBondContact O-N 3.09Å; Q142-V146 WeakPolarHBondContact O-CG2 2.98Å; Q142-V146 PolarHBondContact O-N 2.91Å; Q142-V146 VanDerWaalsContact O-N 3.08Å
143	P	94.8	Very high	95.3	Very high	61 Å²	61	56.8 Å²	56.8	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-50.8	-48.9	-179.1	-29.7	36	0	0	0	113.6	L145 V146 E147	P143-L145 VanDerWaalsContact C-N 3.26Å; P143-L145 PolarHBondContact O-N 3.24Å; P143-L145 VanDerWaalsContact O-N 3.14Å; P143-V146 CarbonylContact O-C 3.2Å; P143-V146 WeakPolarHBondContact O-CA 3.38Å; P143-V146 WeakPolarHBondContact O-CB 3.42Å; P143-V146 PolarHBondContact O-N 2.76Å; P143-E147 VanDerWaalsContact C-CD 3.47Å; P143-E147 WeakPolarHBondContact CB-OE1 3.42Å; P143-E147 WeakPolarHBondContact O-CB 3.34Å; P143-E147 WeakPolarHBondContact O-CG 3.23Å; P143-E147 PolarHBondContact O-N 3.3Å
144	A	94	Very high	95.3	Very high	19 Å²	19	52.5 Å²	52.5	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-55.4	-34.9	178.1	0	0	0	0	0	114.7	E63 Q142 Y148	E63-A144 HydrophobicContact CG-CB 3.98Å; E63-A144 VanDerWaalsContact OE2-CB 3.31Å; E63-A144 WeakPolarHBondContact OE2-CB 3.34Å; Q142-A144 PolarHBondContact O-N 2.89Å; A144-Y148 VanDerWaalsContact O-CB 3.32Å; A144-Y148 WeakPolarHBondContact O-CB 3.34Å; A144-Y148 PolarHBondContact O-N 3.36Å; A144-Y148 VanDerWaalsContact O-N 3.14Å
145	L	95.1	Very high	95.1	Very high	80 Å²	80	51.5 Å²	51.5	42%	0.419	25%	0.254	S	S	.	.	H	α-helix	trans	-76.7	-36.6	176	176.4	62.8	0	0	0	111.5	Q142 P143 Q149	Q142-L145 WeakPolarHBondContact O-CB 3.38Å; Q142-L145 PolarHBondContact O-N 3.09Å; P143-L145 VanDerWaalsContact C-N 3.26Å; P143-L145 PolarHBondContact O-N 3.24Å; P143-L145 VanDerWaalsContact O-N 3.14Å; L145-Q149 HydrophobicContact CD1-CG 4.45Å; L145-Q149 WeakPolarHBondContact O-CB 3.43Å; L145-Q149 WeakPolarHBondContact O-CG 3.33Å; L145-Q149 PolarHBondContact O-N 3.32Å
146	V	96.3	Very high	94.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-42.3	178.5	169	0	0	0	0	111	L95 Q98 R141 Q142 P143 Q149 L150	L95-V146 HydrophobicContact CB-CG1 3.82Å; L95-V146 HydrophobicContact CD2-CG1 3.84Å; L95-V146 HydrophobicContact CG-CG1 4.44Å; L95-V146 WeakPolarHBondContact O-CG1 3.36Å; Q98-V146 HydrophobicContact CB-CG1 4.07Å; Q98-V146 HydrophobicContact CB-CG2 4.34Å; Q98-V146 HydrophobicContact CG-CG1 4.3Å; Q98-V146 HydrophobicContact CG-CG2 3.68Å; R141-V146 HydrophobicContact CB-CG2 3.42Å; R141-V146 VanDerWaalsContact CB-CG2 3.42Å; R141-V146 HydrophobicContact CG-CG2 4.44Å; Q142-V146 WeakPolarHBondContact O-CG2 2.98Å; Q142-V146 PolarHBondContact O-N 2.91Å; Q142-V146 VanDerWaalsContact O-N 3.08Å; P143-V146 CarbonylContact O-C 3.2Å; P143-V146 WeakPolarHBondContact O-CA 3.38Å; P143-V146 WeakPolarHBondContact O-CB 3.42Å; P143-V146 PolarHBondContact O-N 2.76Å; V146-Q149 CarbonylContact O-C 3.58Å; V146-Q149 PolarHBondContact O-N 3.06Å; V146-L150 PolarHBondContact O-N 3.04Å
147	E	96.6	Very high	94.7	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-45.3	173	-68.4	152.2	-146.6	0	0	110.7	Y67 F70 S99 P143 L150 L151	Y67-E147 HydrophobicContact CD2-CG 4.47Å; Y67-E147 WeakPolarHBondContact CD2-OE2 3.5Å; F70-E147 HydrophobicContact CB-CB 4.33Å; F70-E147 HydrophobicContact CB-CG 4.33Å; F70-E147 HydrophobicContact CD1-CG 3.89Å; F70-E147 HydrophobicContact CD2-CB 3.89Å; F70-E147 HydrophobicContact CD2-CG 3.63Å; F70-E147 HydrophobicContact CE1-CG 4.05Å; F70-E147 HydrophobicContact CE2-CB 4.38Å; F70-E147 HydrophobicContact CE2-CG 3.78Å; F70-E147 HydrophobicContact CG-CB 4.1Å; F70-E147 HydrophobicContact CG-CG 3.69Å; F70-E147 HydrophobicContact CZ-CG 4Å; S99-E147 PolarHBondContact OG-OE1 2.94Å; P143-E147 VanDerWaalsContact C-CD 3.47Å; P143-E147 WeakPolarHBondContact CB-OE1 3.42Å; P143-E147 WeakPolarHBondContact O-CB 3.34Å; P143-E147 WeakPolarHBondContact O-CG 3.23Å; P143-E147 PolarHBondContact O-N 3.3Å; E147-L150 PolarHBondContact O-N 3.03Å; E147-L151 WeakPolarHBondContact O-CB 3.25Å; E147-L151 VanDerWaalsContact O-CG 3.24Å; E147-L151 WeakPolarHBondContact O-CG 3.45Å; E147-L151 PolarHBondContact O-N 3.1Å
148	Y	96.3	Very high	94.4	Very high	88 Å²	88	55 Å²	55	35%	0.345	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-46.9	171.5	-177.9	-81.5	0	0	0	111.9	T58 A144 L150 L151 D152	T58-Y148 HydrophobicContact CG2-CD2 4.47Å; T58-Y148 HydrophobicContact CG2-CE2 4.06Å; A144-Y148 VanDerWaalsContact O-CB 3.32Å; A144-Y148 WeakPolarHBondContact O-CB 3.34Å; A144-Y148 PolarHBondContact O-N 3.36Å; A144-Y148 VanDerWaalsContact O-N 3.14Å; Y148-L150 PolarHBondContact O-N 2.91Å; Y148-L151 PolarHBondContact O-N 3.47Å; Y148-D152 HydrophobicContact CE1-CB 4.44Å; Y148-D152 WeakPolarHBondContact O-CB 3.29Å; Y148-D152 PolarHBondContact O-N 2.8Å
149	Q	96.4	Very high	94.3	Very high	49 Å²	49	56.3 Å²	56.3	23%	0.229	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-24.4	177.4	-77.4	175	9.4	0	0	113.6	L95 L145 V146 K153	L95-Q149 HydrophobicContact CD1-CB 4.46Å; L95-Q149 HydrophobicContact CD2-CB 4.45Å; L145-Q149 HydrophobicContact CD1-CG 4.45Å; L145-Q149 WeakPolarHBondContact O-CB 3.43Å; L145-Q149 WeakPolarHBondContact O-CG 3.33Å; L145-Q149 PolarHBondContact O-N 3.32Å; V146-Q149 CarbonylContact O-C 3.58Å; V146-Q149 PolarHBondContact O-N 3.06Å; Q149-K153 WeakPolarHBondContact O-CD 3.39Å; Q149-K153 WeakPolarHBondContact O-CG 3.47Å
150	L	97.7	Very high	94.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-76.4	-49.6	170.5	-174.1	144.2	0	0	0	110.6	F70 V73 L92 L95 I96 V146 E147 Y148 D152 K153 V154	F70-L150 HydrophobicContact CD2-CB 4.3Å; F70-L150 HydrophobicContact CD2-CD1 4.25Å; F70-L150 HydrophobicContact CD2-CD2 4.07Å; F70-L150 HydrophobicContact CD2-CG 4.41Å; F70-L150 HydrophobicContact CE2-CB 4.4Å; F70-L150 HydrophobicContact CE2-CD1 3.9Å; F70-L150 HydrophobicContact CE2-CG 4.49Å; V73-L150 HydrophobicContact CB-CD2 4.41Å; V73-L150 HydrophobicContact CG1-CD2 3.7Å; L92-L150 HydrophobicContact CB-CD1 4.27Å; L92-L150 HydrophobicContact CD2-CD1 4.09Å; L92-L150 HydrophobicContact CD2-CG 3.74Å; L95-L150 HydrophobicContact CB-CD1 4.32Å; L95-L150 HydrophobicContact CD1-CB 4.21Å; I96-L150 HydrophobicContact CD1-CD1 4.07Å; I96-L150 HydrophobicContact CG1-CD1 3.61Å; V146-L150 PolarHBondContact O-N 3.04Å; E147-L150 PolarHBondContact O-N 3.03Å; Y148-L150 PolarHBondContact O-N 2.91Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.47Å; L150-K153 PolarHBondContact O-N 3.48Å; L150-K153 VanDerWaalsContact O-N 3.14Å; L150-V154 HydrophobicContact CD2-CG1 4.08Å; L150-V154 HydrophobicContact CD2-CG2 4.47Å; L150-V154 PolarHBondContact O-N 3.29Å
151	L	97.1	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-39.2	-179.6	-73.1	174.4	0	0	0	112.9	P57 R66 I69 V73 E147 Y148 K153 K155	P57-L151 HydrophobicContact CB-CB 4.26Å; P57-L151 HydrophobicContact CB-CD1 4.42Å; P57-L151 HydrophobicContact CB-CD2 4.05Å; P57-L151 HydrophobicContact CB-CG 4.47Å; P57-L151 HydrophobicContact CG-CB 3.87Å; P57-L151 HydrophobicContact CG-CD2 4.08Å; P57-L151 HydrophobicContact CG-CG 4.47Å; R66-L151 HydrophobicContact CB-CD1 3.9Å; R66-L151 HydrophobicContact CG-CD1 4.41Å; I69-L151 HydrophobicContact CB-CD2 4.27Å; I69-L151 HydrophobicContact CG2-CD2 3.75Å; V73-L151 HydrophobicContact CG2-CD2 4.46Å; E147-L151 WeakPolarHBondContact O-CB 3.25Å; E147-L151 VanDerWaalsContact O-CG 3.24Å; E147-L151 WeakPolarHBondContact O-CG 3.45Å; E147-L151 PolarHBondContact O-N 3.1Å; Y148-L151 PolarHBondContact O-N 3.47Å; L151-K153 VanDerWaalsContact C-N 3.29Å; L151-K153 PolarHBondContact O-N 2.94Å; L151-K155 PolarHBondContact O-N 3.14Å
152	D	96.3	Very high	94.5	Very high	64 Å²	64	44.2 Å²	44.2	34%	0.342	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-27.4	176.4	-171.6	58	0	0	0	113.5	T58 Y148 L150 K155	T58-D152 HydrophobicContact CG2-CB 3.73Å; Y148-D152 HydrophobicContact CE1-CB 4.44Å; Y148-D152 WeakPolarHBondContact O-CB 3.29Å; Y148-D152 PolarHBondContact O-N 2.8Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.47Å; D152-K155 WeakPolarHBondContact O-CE 3.4Å; D152-K155 WeakPolarHBondContact O-CG 3.41Å; D152-K155 WeakPolarHBondContact OD1-CE 3.15Å; D152-K155 IonicContact OD1-NZ 3.17Å; D152-K155 PolarHBondContact OD1-NZ 2.73Å
153	K	96.5	Very high	94.4	Very high	79 Å²	79	40.4 Å²	40.4	34%	0.343	21%	0.21	S	C	.	.	H	α-helix	trans	-82	-47.9	175.3	-71.2	174.6	-175.8	179.1	0	112.1	L88 T91 L92 L95 Q149 L150 L151 K155 Q156	L88-K153 HydrophobicContact CD1-CB 4.44Å; L88-K153 HydrophobicContact CD1-CD 4.31Å; T91-K153 HydrophobicContact CG2-CD 4.36Å; L92-K153 HydrophobicContact CD2-CB 4.36Å; L95-K153 HydrophobicContact CD1-CD 4.46Å; Q149-K153 WeakPolarHBondContact O-CD 3.39Å; Q149-K153 WeakPolarHBondContact O-CG 3.47Å; L150-K153 PolarHBondContact O-N 3.48Å; L150-K153 VanDerWaalsContact O-N 3.14Å; L151-K153 VanDerWaalsContact C-N 3.29Å; L151-K153 PolarHBondContact O-N 2.94Å; K153-K155 VanDerWaalsContact C-N 3.3Å; K153-K155 PolarHBondContact O-N 2.83Å; K153-Q156 PolarHBondContact O-N 3Å
154	V	96	Very high	94.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-30.1	-173.2	-61.1	0	0	0	0	112.7	V73 M82 L92 L150 Q156 L157 Y160	V73-V154 HydrophobicContact CG1-CB 4.36Å; V73-V154 HydrophobicContact CG1-CG1 3.93Å; V73-V154 HydrophobicContact CG1-CG2 4.08Å; V73-V154 HydrophobicContact CG2-CG2 4.44Å; M82-V154 HydrophobicContact CE-CB 4.38Å; M82-V154 HydrophobicContact CE-CG1 3.81Å; M82-V154 HydrophobicContact SD-CB 4.27Å; M82-V154 HydrophobicContact SD-CG1 4.35Å; L92-V154 HydrophobicContact CD1-CG1 4.07Å; L92-V154 HydrophobicContact CD2-CG1 3.72Å; L150-V154 HydrophobicContact CD2-CG1 4.08Å; L150-V154 HydrophobicContact CD2-CG2 4.47Å; L150-V154 PolarHBondContact O-N 3.29Å; V154-Q156 PolarHBondContact O-N 3.45Å; V154-L157 HydrophobicContact CB-CD1 4.09Å; V154-L157 HydrophobicContact CG1-CD1 4.23Å; V154-L157 VanDerWaalsContact O-CB 3.25Å; V154-L157 WeakPolarHBondContact O-CB 3.39Å; V154-L157 WeakPolarHBondContact O-CG 3.46Å; V154-L157 PolarHBondContact O-N 3.38Å; V154-Y160 HydrophobicContact CB-CD2 4.01Å; V154-Y160 HydrophobicContact CG2-CD2 3.7Å; V154-Y160 HydrophobicContact CG2-CE2 3.78Å; V154-Y160 WeakPolarHBondContact O-CB 3.37Å
155	K	93.2	Very high	94.4	Very high	31 Å²	31	42 Å²	42	14%	0.135	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.4	178.5	73.4	-176.7	178.7	-173.1	0	114.5	D56 P57 T58 L151 D152 K153 L157	D56-K155 HydrophobicContact CB-CD 4.26Å; D56-K155 VanDerWaalsContact CG-CD 3.44Å; D56-K155 VanDerWaalsContact CG-NZ 3.26Å; D56-K155 WeakPolarHBondContact OD1-CD 3.35Å; D56-K155 IonicContact OD1-NZ 2.64Å; D56-K155 PolarHBondContact OD1-NZ 2.95Å; D56-K155 VanDerWaalsContact OD1-NZ 3.11Å; D56-K155 WeakPolarHBondContact OD2-CE 3.41Å; D56-K155 IonicContact OD2-NZ 3.45Å; D56-K155 PolarHBondContact OD2-NZ 3.45Å; P57-K155 HydrophobicContact CG-CB 4.26Å; T58-K155 HydrophobicContact CG2-CD 4.27Å; T58-K155 PolarHBondContact OG1-NZ 2.81Å; L151-K155 PolarHBondContact O-N 3.14Å; D152-K155 WeakPolarHBondContact O-CE 3.4Å; D152-K155 WeakPolarHBondContact O-CG 3.41Å; D152-K155 WeakPolarHBondContact OD1-CE 3.15Å; D152-K155 IonicContact OD1-NZ 3.17Å; D152-K155 PolarHBondContact OD1-NZ 2.73Å; K153-K155 VanDerWaalsContact C-N 3.3Å; K153-K155 PolarHBondContact O-N 2.83Å; K155-L157 VanDerWaalsContact C-N 3.31Å
156	Q	91.1	Very high	94.3	Very high	147 Å²	147	45.4 Å²	45.4	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.6	177.2	-51.5	-61.8	-13.4	0	0	113	K153 V154	K153-Q156 PolarHBondContact O-N 3Å; V154-Q156 PolarHBondContact O-N 3.45Å
157	L	92	Very high	94.2	Very high	32 Å²	32	45.7 Å²	45.7	17%	0.168	23%	0.225	C	C	.	.			trans	-84.2	136.8	-179.3	-60.7	169	0	0	0	111.1	M82 V84 L88 V154 K155 T159 Y160	M82-L157 HydrophobicContact CE-CD1 4.26Å; M82-L157 HydrophobicContact SD-CD1 4.1Å; V84-L157 HydrophobicContact CG1-CD1 3.42Å; V84-L157 VanDerWaalsContact CG1-CD1 3.42Å; V84-L157 HydrophobicContact CG1-CD2 4.17Å; V84-L157 HydrophobicContact CG1-CG 4.44Å; L88-L157 HydrophobicContact CD2-CD1 4.25Å; L88-L157 HydrophobicContact CD2-CD2 3.7Å; L88-L157 HydrophobicContact CD2-CG 4.35Å; V154-L157 HydrophobicContact CB-CD1 4.09Å; V154-L157 HydrophobicContact CG1-CD1 4.23Å; V154-L157 VanDerWaalsContact O-CB 3.25Å; V154-L157 WeakPolarHBondContact O-CB 3.39Å; V154-L157 WeakPolarHBondContact O-CG 3.46Å; V154-L157 PolarHBondContact O-N 3.38Å; K155-L157 VanDerWaalsContact C-N 3.31Å; L157-T159 PolarHBondContact O-N 3.45Å; L157-Y160 PolarHBondContact O-N 2.9Å
158	S	87.9	Confident	94	Very high	60 Å²	60	49 Å²	49	42%	0.42	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.4	168.9	51	0	0	0	0	112.1	Y160 Q162	S158-Y160 VanDerWaalsContact C-N 3.33Å; S158-Y160 PolarHBondContact O-N 2.8Å; S158-Q162 VanDerWaalsContact O-CD 3.23Å; S158-Q162 WeakPolarHBondContact O-CG 3.24Å; S158-Q162 PolarHBondContact O-NE2 2.94Å
159	T	91.1	Very high	93.6	Very high	29 Å²	29	46.9 Å²	46.9	18%	0.178	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.7	-177.8	54.2	0	0	0	0	114.6	Q83 L157 G161 Q162	Q83-T159 HydrophobicContact CB-CG2 4.3Å; Q83-T159 PolarHBondContact O-OG1 3.26Å; L157-T159 PolarHBondContact O-N 3.45Å; T159-G161 PolarHBondContact O-N 2.84Å; T159-Q162 PolarHBondContact O-N 3.42Å
160	Y	94.6	Very high	93.1	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.012	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	123.4	-177.4	167.7	-104.6	0	0	0	111.9	Y53 P54 V73 M82 V154 L157 S158 Q162 P182	Y53-Y160 HydrophobicContact CD1-CE2 4.03Å; P54-Y160 WeakPolarHBondContact O-CE1 3.41Å; P54-Y160 PolarHBondContact O-OH 3.16Å; V73-Y160 HydrophobicContact CG2-CD2 4.31Å; V73-Y160 HydrophobicContact CG2-CE2 3.78Å; M82-Y160 HydrophobicContact SD-CD2 4.32Å; V154-Y160 HydrophobicContact CB-CD2 4.01Å; V154-Y160 HydrophobicContact CG2-CD2 3.7Å; V154-Y160 HydrophobicContact CG2-CE2 3.78Å; V154-Y160 WeakPolarHBondContact O-CB 3.37Å; L157-Y160 PolarHBondContact O-N 2.9Å; S158-Y160 VanDerWaalsContact C-N 3.33Å; S158-Y160 PolarHBondContact O-N 2.8Å; Y160-Q162 PolarHBondContact O-N 2.87Å; Y160-P182 HydrophobicContact CD1-CG 4.24Å; Y160-P182 HydrophobicContact CE1-CG 4.24Å; Y160-P182 VanDerWaalsContact O-CD 3.3Å; Y160-P182 WeakPolarHBondContact O-CD 3.22Å
161	G	93.7	Very high	92.4	Very high	7 Å²	7	53.6 Å²	53.6	7%	0.072	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	16.5	179.4	0	0	0	0	0	115	Y53 T159	Y53-G161 VanDerWaalsContact CG-CA 3.43Å; T159-G161 PolarHBondContact O-N 2.84Å
162	Q	93.6	Very high	91.8	Very high	29 Å²	29	56.3 Å²	56.3	14%	0.136	29%	0.288	C	S	.	.			trans	-72.6	140.6	175	-69.7	-163.2	-12.9	0	0	112.1	S158 T159 Y160 C179 L180 S186	S158-Q162 VanDerWaalsContact O-CD 3.23Å; S158-Q162 WeakPolarHBondContact O-CG 3.24Å; S158-Q162 PolarHBondContact O-NE2 2.94Å; T159-Q162 PolarHBondContact O-N 3.42Å; Y160-Q162 PolarHBondContact O-N 2.87Å; Q162-C179 HydrophobicContact CB-CB 4.43Å; Q162-C179 HydrophobicContact CG-CB 4.4Å; Q162-L180 CarbonylContact C-O 3.43Å; Q162-L180 WeakPolarHBondContact CA-O 3.28Å; Q162-S186 PolarHBondContact NE2-OG 3.32Å; Q162-S186 VanDerWaalsContact NE2-OG 3.17Å
163	I	93.1	Very high	91.2	Very high	65 Å²	65	59 Å²	59	33%	0.333	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.2	163.3	-55.1	-167.2	0	0	0	108.3	F165 C179 L180 Y245	I163-F165 HydrophobicContact CB-CE2 4.16Å; I163-F165 HydrophobicContact CG2-CE1 4.48Å; I163-F165 HydrophobicContact CG2-CE2 3.66Å; I163-F165 HydrophobicContact CG2-CZ 3.63Å; I163-C179 WeakPolarHBondContact O-CA 3.46Å; I163-L180 PolarHBondContact N-O 2.89Å; I163-L180 PolarHBondContact O-N 2.8Å; I163-Y245 WeakPolarHBondContact CD1-OH 3.34Å
164	N	92.9	Very high	90.8	Very high	59 Å²	59	57.3 Å²	57.3	32%	0.316	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.4	-170.4	-58	20.2	0	0	0	110.6	Q177 L178 C179	N164-Q177 PolarHBondContact ND2-OE1 3.05Å; N164-L178 CarbonylContact C-O 3.55Å; N164-L178 WeakPolarHBondContact CA-O 3.44Å; N164-C179 PolarHBondContact ND2-SG 3.36Å
165	F	94.3	Very high	90.7	Very high	54 Å²	54	60.6 Å²	60.6	24%	0.237	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.7	178.2	-59.4	-91	0	0	0	110	I163 I167 Q177 L178 L180 L238 T241	I163-F165 HydrophobicContact CB-CE2 4.16Å; I163-F165 HydrophobicContact CG2-CE1 4.48Å; I163-F165 HydrophobicContact CG2-CE2 3.66Å; I163-F165 HydrophobicContact CG2-CZ 3.63Å; F165-I167 PolarHBondContact O-N 3.28Å; F165-Q177 WeakPolarHBondContact O-CA 3.34Å; F165-L178 HydrophobicContact CB-CB 4.43Å; F165-L178 PolarHBondContact N-O 3.17Å; F165-L178 PolarHBondContact O-N 3.36Å; F165-L180 HydrophobicContact CD2-CD1 4.3Å; F165-L180 HydrophobicContact CD2-CG 4.29Å; F165-L180 HydrophobicContact CE2-CD1 3.71Å; F165-L180 HydrophobicContact CE2-CG 4.01Å; F165-L238 HydrophobicContact CB-CD1 4.06Å; F165-L238 HydrophobicContact CB-CD2 3.88Å; F165-L238 HydrophobicContact CD1-CD1 3.64Å; F165-L238 HydrophobicContact CD1-CD2 4.46Å; F165-L238 HydrophobicContact CD2-CD1 3.53Å; F165-L238 HydrophobicContact CE1-CD1 3.89Å; F165-L238 HydrophobicContact CE2-CD1 3.81Å; F165-L238 HydrophobicContact CG-CD1 3.45Å; F165-L238 VanDerWaalsContact CG-CD1 3.45Å; F165-L238 HydrophobicContact CG-CD2 4.17Å; F165-L238 HydrophobicContact CG-CG 4.43Å; F165-L238 HydrophobicContact CZ-CD1 3.98Å; F165-T241 HydrophobicContact CE2-CG2 4.5Å; F165-T241 HydrophobicContact CZ-CG2 4.03Å
166	H	93.2	Very high	90.7	Very high	151 Å²	151	59.4 Å²	59.4	70%	0.699	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.6	174.6	-63.9	-68.7	0	0	0	110.6
167	I	94.3	Very high	90.8	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	169.4	178.5	56.6	154.2	0	0	0	109.8	F165 C176 L178 I187 C227 S228 V229 L238	F165-I167 PolarHBondContact O-N 3.28Å; I167-C176 HydrophobicContact CD1-CB 4.15Å; I167-C176 HydrophobicContact CG1-CB 4Å; I167-C176 WeakPolarHBondContact CG1-O 3.43Å; I167-C176 PolarHBondContact N-O 2.88Å; I167-C176 PolarHBondContact O-N 3.26Å; I167-L178 HydrophobicContact CD1-CB 3.86Å; I167-L178 HydrophobicContact CG1-CB 4.04Å; I167-L178 HydrophobicContact CG2-CB 4.02Å; I167-I187 HydrophobicContact CD1-CG2 4.25Å; I167-C227 HydrophobicContact CB-CB 4.18Å; I167-C227 HydrophobicContact CD1-CB 3.45Å; I167-C227 VanDerWaalsContact CD1-CB 3.45Å; I167-C227 HydrophobicContact CG1-CB 4.4Å; I167-S228 WeakPolarHBondContact CA-O 3.46Å; I167-V229 HydrophobicContact CG2-CG2 4.41Å; I167-L238 HydrophobicContact CG2-CD2 4.19Å
168	K	92.3	Very high	90.9	Very high	73 Å²	73	53.7 Å²	53.7	32%	0.317	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.9	166.5	-69	159.6	-176	163.8	0	109.1	T170 T174 C227 S228 D230	K168-T170 PolarHBondContact O-N 2.71Å; K168-T174 CarbonylContact C-O 3.55Å; K168-T174 WeakPolarHBondContact CA-O 3.42Å; K168-C227 CarbonylContact O-C 3.56Å; K168-C227 WeakPolarHBondContact O-CA 3.23Å; K168-S228 PolarHBondContact N-O 2.94Å; K168-S228 PolarHBondContact O-N 3.05Å; K168-D230 IonicContact NZ-OD1 3.73Å; K168-D230 PolarHBondContact NZ-OD1 3.18Å; K168-D230 IonicContact NZ-OD2 3.92Å
169	E	88.9	Confident	91.2	Very high	43 Å²	43	51 Å²	51	20%	0.201	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128	173.1	173.6	170.2	-102.2	0	0	109.4	I171 S172 N173 T174 Y225	E169-I171 PolarHBondContact O-N 3.09Å; E169-I171 VanDerWaalsContact O-N 3.16Å; E169-S172 WeakPolarHBondContact CB-OG 3.38Å; E169-S172 VanDerWaalsContact OE2-CB 3.32Å; E169-S172 WeakPolarHBondContact OE2-CB 3.49Å; E169-S172 PolarHBondContact OE2-OG 3.03Å; E169-N173 WeakPolarHBondContact O-CA 3.06Å; E169-N173 PolarHBondContact O-N 3.04Å; E169-T174 PolarHBondContact N-O 3.41Å; E169-Y225 VanDerWaalsContact CD-OH 3.31Å; E169-Y225 VanDerWaalsContact CG-OH 3.31Å; E169-Y225 WeakPolarHBondContact CG-OH 2.97Å; E169-Y225 WeakPolarHBondContact OE1-CE2 3.48Å; E169-Y225 PolarHBondContact OE1-OH 2.87Å
170	T	85.6	Confident	91.5	Very high	37 Å²	37	49.6 Å²	49.6	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.2	-170.6	-57.4	0	0	0	0	113.9	K168 R226 C227 S228	K168-T170 PolarHBondContact O-N 2.71Å; T170-R226 WeakPolarHBondContact CB-O 3.31Å; T170-R226 HydrophobicContact CG2-CB 4.22Å; T170-R226 PolarHBondContact N-O 3.39Å; T170-R226 VanDerWaalsContact OG1-C 3.24Å; T170-R226 PolarHBondContact OG1-O 3.42Å; T170-C227 VanDerWaalsContact OG1-C 3.28Å; T170-C227 WeakPolarHBondContact OG1-CA 2.84Å; T170-C227 PolarHBondContact OG1-N 3.42Å; T170-S228 PolarHBondContact OG1-N 3.29Å; T170-S228 PolarHBondContact OG1-OG 2.8Å
171	I	83.1	Confident	91.4	Very high	155 Å²	155	49.6 Å²	49.6	80%	0.795	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-48.5	-176.9	-59.6	175.5	0	0	0	111.6	E169	E169-I171 PolarHBondContact O-N 3.09Å; E169-I171 VanDerWaalsContact O-N 3.16Å
172	S	84.2	Confident	91.4	Very high	57 Å²	57	49.8 Å²	49.8	40%	0.399	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-14.9	-176.9	61.7	0	0	0	0	113.8	E169 T174	E169-S172 WeakPolarHBondContact CB-OG 3.38Å; E169-S172 VanDerWaalsContact OE2-CB 3.32Å; E169-S172 WeakPolarHBondContact OE2-CB 3.49Å; E169-S172 PolarHBondContact OE2-OG 3.03Å; S172-T174 PolarHBondContact O-N 2.91Å; S172-T174 PolarHBondContact OG-N 3.36Å; S172-T174 PolarHBondContact OG-OG1 3.48Å
173	N	84.1	Confident	91.2	Very high	120 Å²	120	50.9 Å²	50.9	64%	0.642	28%	0.278	S	S	*	.			trans	55.6	20.6	-171	-160.2	36	0	0	0	114.1	E169	E169-N173 WeakPolarHBondContact O-CA 3.06Å; E169-N173 PolarHBondContact O-N 3.04Å
174	T	88.5	Confident	91.2	Very high	44 Å²	44	47.9 Å²	47.9	27%	0.27	26%	0.264	S	S	.	.			trans	-74.2	151.7	173.7	62.1	0	0	0	0	111.1	K168 E169 S172 C176 D189	K168-T174 CarbonylContact C-O 3.55Å; K168-T174 WeakPolarHBondContact CA-O 3.42Å; E169-T174 PolarHBondContact N-O 3.41Å; S172-T174 PolarHBondContact O-N 2.91Å; S172-T174 PolarHBondContact OG-N 3.36Å; S172-T174 PolarHBondContact OG-OG1 3.48Å; T174-C176 PolarHBondContact OG1-SG 3.42Å; T174-D189 WeakPolarHBondContact CB-OD1 3.48Å; T174-D189 PolarHBondContact OG1-OD1 3.41Å
175	A	92	Very high	91.3	Very high	69 Å²	69	45.1 Å²	45.1	57%	0.57	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.4	173.3	0	0	0	0	0	110.1
176	C	93.6	Very high	91.2	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.3	-178	-55.8	0	0	0	0	110.7	I167 T174 I187 E188	I167-C176 HydrophobicContact CD1-CB 4.15Å; I167-C176 HydrophobicContact CG1-CB 4Å; I167-C176 WeakPolarHBondContact CG1-O 3.43Å; I167-C176 PolarHBondContact N-O 2.88Å; I167-C176 PolarHBondContact O-N 3.26Å; T174-C176 PolarHBondContact OG1-SG 3.42Å; C176-I187 HydrophobicContact CB-CG2 4.09Å; C176-E188 CarbonylContact C-O 3.53Å; C176-E188 VanDerWaalsContact CA-O 3.23Å; C176-E188 WeakPolarHBondContact CA-O 3.31Å; C176-E188 WeakPolarHBondContact CB-O 3.42Å
177	Q	93.2	Very high	91.3	Very high	60 Å²	60	35.7 Å²	35.7	28%	0.28	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.3	166.8	-58.6	-166.6	20.8	0	0	109.7	N164 F165 I187 E188	N164-Q177 PolarHBondContact ND2-OE1 3.05Å; F165-Q177 WeakPolarHBondContact O-CA 3.34Å; Q177-I187 VanDerWaalsContact O-CA 3.3Å; Q177-I187 WeakPolarHBondContact O-CA 3.21Å; Q177-E188 PolarHBondContact N-O 3.02Å; Q177-E188 PolarHBondContact O-N 3.04Å
178	L	94.9	Very high	91.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.6	167.1	-179.3	77	0	0	0	107.9	N164 F165 I167 L180 V185 I187 I214 L238	N164-L178 CarbonylContact C-O 3.55Å; N164-L178 WeakPolarHBondContact CA-O 3.44Å; F165-L178 HydrophobicContact CB-CB 4.43Å; F165-L178 PolarHBondContact N-O 3.17Å; F165-L178 PolarHBondContact O-N 3.36Å; I167-L178 HydrophobicContact CD1-CB 3.86Å; I167-L178 HydrophobicContact CG1-CB 4.04Å; I167-L178 HydrophobicContact CG2-CB 4.02Å; L178-L180 HydrophobicContact CD2-CD2 4.33Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-V185 HydrophobicContact CD1-CG1 3.43Å; L178-V185 VanDerWaalsContact CD1-CG1 3.43Å; L178-V185 HydrophobicContact CG-CG1 4.38Å; L178-I187 HydrophobicContact CD1-CD1 4.15Å; L178-I187 HydrophobicContact CD1-CG1 3.96Å; L178-I214 HydrophobicContact CD1-CD1 3.99Å; L178-L238 HydrophobicContact CD2-CD1 4.08Å; L178-L238 HydrophobicContact CD2-CD2 3.93Å; L178-L238 HydrophobicContact CD2-CG 4.18Å
179	C	95	Very high	91	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.7	-175.8	-52.2	0	0	0	0	110.2	Q162 I163 N164 S186	Q162-C179 HydrophobicContact CB-CB 4.43Å; Q162-C179 HydrophobicContact CG-CB 4.4Å; I163-C179 WeakPolarHBondContact O-CA 3.46Å; N164-C179 PolarHBondContact ND2-SG 3.36Å; C179-S186 PolarHBondContact N-O 3.34Å; C179-S186 PolarHBondContact O-N 3.48Å
180	L	95.6	Very high	90.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.2	179.5	-51.5	-178.1	0	0	0	109.9	Q162 I163 F165 L178 V185 L238 T241 Y245	Q162-L180 CarbonylContact C-O 3.43Å; Q162-L180 WeakPolarHBondContact CA-O 3.28Å; I163-L180 PolarHBondContact N-O 2.89Å; I163-L180 PolarHBondContact O-N 2.8Å; F165-L180 HydrophobicContact CD2-CD1 4.3Å; F165-L180 HydrophobicContact CD2-CG 4.29Å; F165-L180 HydrophobicContact CE2-CD1 3.71Å; F165-L180 HydrophobicContact CE2-CG 4.01Å; L178-L180 HydrophobicContact CD2-CD2 4.33Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L180-V185 HydrophobicContact CD2-CB 4.47Å; L180-V185 HydrophobicContact CD2-CG1 4.26Å; L180-V185 HydrophobicContact CD2-CG2 3.75Å; L180-L238 HydrophobicContact CD1-CD1 4.39Å; L180-T241 HydrophobicContact CD1-CG2 3.88Å; L180-Y245 HydrophobicContact CB-CD1 3.89Å; L180-Y245 HydrophobicContact CB-CE1 3.98Å; L180-Y245 HydrophobicContact CB-CG 4.35Å; L180-Y245 HydrophobicContact CD1-CG 4.49Å
181	G	93.7	Very high	90.5	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	-171.4	-179.3	0	0	0	0	0	114.5	S183 G184 W199	G181-S183 PolarHBondContact O-N 2.88Å; G181-G184 PolarHBondContact N-O 3.04Å; G181-G184 PolarHBondContact O-N 3.34Å; G181-W199 WeakPolarHBondContact O-CZ2 3.02Å; G181-W199 PolarHBondContact O-NE1 3.38Å
182	P	92.3	Very high	90.4	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.071	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.2	179.3	-23.2	34.1	0	0	0	112.9	P55 Y160 G184 W199 Y249	P55-P182 HydrophobicContact CB-CB 4.15Å; P55-P182 HydrophobicContact CG-CB 3.99Å; Y160-P182 HydrophobicContact CD1-CG 4.24Å; Y160-P182 HydrophobicContact CE1-CG 4.24Å; Y160-P182 VanDerWaalsContact O-CD 3.3Å; Y160-P182 WeakPolarHBondContact O-CD 3.22Å; P182-G184 VanDerWaalsContact C-N 3.27Å; P182-G184 PolarHBondContact O-N 2.9Å; P182-W199 VanDerWaalsContact O-CD1 3.3Å; P182-W199 PolarHBondContact O-NE1 3.14Å; P182-Y249 HydrophobicContact CB-CE1 4.19Å
183	S	89.6	Confident	90.3	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.7	-175.4	-44.8	0	0	0	0	114.9	G181 Q196	G181-S183 PolarHBondContact O-N 2.88Å; S183-Q196 PolarHBondContact O-NE2 3.08Å
184	G	93.3	Very high	90.4	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.5	-154	-177.7	0	0	0	0	0	113.6	G181 P182 F197 W199	G181-G184 PolarHBondContact N-O 3.04Å; G181-G184 PolarHBondContact O-N 3.34Å; P182-G184 VanDerWaalsContact C-N 3.27Å; P182-G184 PolarHBondContact O-N 2.9Å; G184-F197 WeakPolarHBondContact CA-O 3.16Å; G184-W199 VanDerWaalsContact CA-CE2 3.5Å; G184-W199 WeakPolarHBondContact O-CZ2 3.35Å
185	V	95	Very high	90.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.9	161.1	178.3	0	0	0	0	108.1	L178 L180 I187 F197 W199 I202 F205 I214	L178-V185 HydrophobicContact CD1-CG1 3.43Å; L178-V185 VanDerWaalsContact CD1-CG1 3.43Å; L178-V185 HydrophobicContact CG-CG1 4.38Å; L180-V185 HydrophobicContact CD2-CB 4.47Å; L180-V185 HydrophobicContact CD2-CG1 4.26Å; L180-V185 HydrophobicContact CD2-CG2 3.75Å; V185-I187 HydrophobicContact CG1-CG1 4.4Å; V185-F197 PolarHBondContact N-O 2.93Å; V185-F197 PolarHBondContact O-N 3.06Å; V185-W199 HydrophobicContact CG2-CH2 3.82Å; V185-W199 HydrophobicContact CG2-CZ3 3.95Å; V185-I202 HydrophobicContact CB-CD1 3.84Å; V185-I202 HydrophobicContact CG2-CD1 3.41Å; V185-I202 VanDerWaalsContact CG2-CD1 3.41Å; V185-F205 HydrophobicContact CG2-CE1 4.23Å; V185-F205 HydrophobicContact CG2-CZ 3.76Å; V185-I214 HydrophobicContact CG1-CD1 4.25Å
186	S	93.8	Very high	90.5	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.6	163.5	55	0	0	0	0	111.3	Q162 C179 I195	Q162-S186 PolarHBondContact NE2-OG 3.32Å; Q162-S186 VanDerWaalsContact NE2-OG 3.17Å; C179-S186 PolarHBondContact N-O 3.34Å; C179-S186 PolarHBondContact O-N 3.48Å; S186-I195 CarbonylContact C-O 3.44Å; S186-I195 WeakPolarHBondContact CA-O 3.39Å; S186-I195 WeakPolarHBondContact CB-O 3.34Å
187	I	93.6	Very high	90.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	119.1	-175.6	-51.5	-174.1	0	0	0	107.4	I167 C176 Q177 L178 V185 L194 I195 F197 I214 Y225	I167-I187 HydrophobicContact CD1-CG2 4.25Å; C176-I187 HydrophobicContact CB-CG2 4.09Å; Q177-I187 VanDerWaalsContact O-CA 3.3Å; Q177-I187 WeakPolarHBondContact O-CA 3.21Å; L178-I187 HydrophobicContact CD1-CD1 4.15Å; L178-I187 HydrophobicContact CD1-CG1 3.96Å; V185-I187 HydrophobicContact CG1-CG1 4.4Å; I187-L194 WeakPolarHBondContact O-CA 3.38Å; I187-I195 HydrophobicContact CB-CB 4.44Å; I187-I195 PolarHBondContact N-O 3.22Å; I187-I195 PolarHBondContact O-N 3.33Å; I187-F197 HydrophobicContact CD1-CE2 4.17Å; I187-I214 HydrophobicContact CD1-CD1 4.3Å; I187-Y225 HydrophobicContact CD1-CD1 3.44Å; I187-Y225 VanDerWaalsContact CD1-CD1 3.44Å; I187-Y225 HydrophobicContact CD1-CD2 4.43Å; I187-Y225 HydrophobicContact CD1-CE1 3.2Å; I187-Y225 HydrophobicContact CD1-CE2 4.24Å; I187-Y225 HydrophobicContact CD1-CG 4.07Å
188	E	91.3	Very high	90.5	Very high	47 Å²	47	47.2 Å²	47.2	22%	0.22	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.9	178	-171.3	178.6	-146	0	0	109.7	C176 Q177 K192 L194	C176-E188 CarbonylContact C-O 3.53Å; C176-E188 VanDerWaalsContact CA-O 3.23Å; C176-E188 WeakPolarHBondContact CA-O 3.31Å; C176-E188 WeakPolarHBondContact CB-O 3.42Å; Q177-E188 PolarHBondContact N-O 3.02Å; Q177-E188 PolarHBondContact O-N 3.04Å; E188-K192 WeakPolarHBondContact OE1-CG 3.34Å; E188-L194 HydrophobicContact CB-CD1 4.25Å
189	D	89.5	Confident	90.4	Very high	22 Å²	22	47.8 Å²	47.8	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	159.6	167.6	164.3	55.7	0	0	0	111.1	T174 R191 K192 N193	T174-D189 WeakPolarHBondContact CB-OD1 3.48Å; T174-D189 PolarHBondContact OG1-OD1 3.41Å; D189-R191 PolarHBondContact O-N 2.91Å; D189-R191 VanDerWaalsContact OD2-CB 3.31Å; D189-R191 WeakPolarHBondContact OD2-CB 3.4Å; D189-R191 VanDerWaalsContact OD2-CG 3.31Å; D189-R191 WeakPolarHBondContact OD2-CG 3.41Å; D189-R191 PolarHBondContact OD2-N 2.97Å; D189-R191 VanDerWaalsContact OD2-N 3.15Å; D189-K192 WeakPolarHBondContact O-CA 3.32Å; D189-K192 PolarHBondContact O-N 3.34Å; D189-N193 HydrophobicContact CB-CB 4.48Å; D189-N193 PolarHBondContact N-O 2.88Å
190	S	84	Confident	90.2	Very high	93 Å²	93	52.3 Å²	52.3	65%	0.65	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.4	-31.3	167.7	62.2	0	0	0	0	116.2	K192	S190-K192 VanDerWaalsContact C-N 3.34Å
191	R	80.8	Confident	90	Very high	199 Å²	199	55.9 Å²	55.9	75%	0.751	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	6.3	178.3	-59.6	175.5	-178	-169.4	1.2	114.9	D189 N193	D189-R191 PolarHBondContact O-N 2.91Å; D189-R191 VanDerWaalsContact OD2-CB 3.31Å; D189-R191 WeakPolarHBondContact OD2-CB 3.4Å; D189-R191 VanDerWaalsContact OD2-CG 3.31Å; D189-R191 WeakPolarHBondContact OD2-CG 3.41Å; D189-R191 PolarHBondContact OD2-N 2.97Å; D189-R191 VanDerWaalsContact OD2-N 3.15Å; R191-N193 PolarHBondContact O-N 3.47Å
192	K	81.3	Confident	90	Very high	142 Å²	142	55.8 Å²	55.8	62%	0.617	29%	0.289	S	S	*	.			trans	59.4	27.5	-170	-54.5	-159.7	173.3	-158.7	0	114.6	E188 D189 S190 L194	E188-K192 WeakPolarHBondContact OE1-CG 3.34Å; D189-K192 WeakPolarHBondContact O-CA 3.32Å; D189-K192 PolarHBondContact O-N 3.34Å; S190-K192 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.45Å
193	N	80.6	Confident	90.1	Very high	94 Å²	94	58.4 Å²	58.4	50%	0.503	31%	0.305	S	S	.	.			trans	-74.2	109.5	169.2	-69.7	-44.2	0	0	0	108.5	D189 R191	D189-N193 HydrophobicContact CB-CB 4.48Å; D189-N193 PolarHBondContact N-O 2.88Å; R191-N193 PolarHBondContact O-N 3.47Å
194	L	86.5	Confident	90.3	Very high	87 Å²	87	56.6 Å²	56.6	46%	0.455	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.3	-178	-171	71.1	0	0	0	111.2	I187 E188 K192	I187-L194 WeakPolarHBondContact O-CA 3.38Å; E188-L194 HydrophobicContact CB-CD1 4.25Å; K192-L194 PolarHBondContact O-N 3.45Å
195	I	90.8	Very high	90.5	Very high	67 Å²	67	57.5 Å²	57.5	34%	0.344	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.2	168.1	-54.1	176.7	0	0	0	107.7	S186 I187 F197 Y225	S186-I195 CarbonylContact C-O 3.44Å; S186-I195 WeakPolarHBondContact CA-O 3.39Å; S186-I195 WeakPolarHBondContact CB-O 3.34Å; I187-I195 HydrophobicContact CB-CB 4.44Å; I187-I195 PolarHBondContact N-O 3.22Å; I187-I195 PolarHBondContact O-N 3.33Å; I195-F197 HydrophobicContact CG2-CE1 3.73Å; I195-F197 HydrophobicContact CG2-CE2 3.85Å; I195-F197 HydrophobicContact CG2-CZ 3.33Å; I195-Y225 HydrophobicContact CD1-CE2 4.4Å
196	Q	92.4	Very high	90.4	Very high	90 Å²	90	59 Å²	59	42%	0.421	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.5	-179.1	-174.8	176.3	-14.7	0	0	112.4	S183	S183-Q196 PolarHBondContact O-NE2 3.08Å
197	F	93.4	Very high	90.3	Very high	22 Å²	22	62.7 Å²	62.7	10%	0.096	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	107.8	178.6	-53.2	-56.4	0	0	0	110.3	G184 V185 I187 I195 I202 I216 F223 Y225	G184-F197 WeakPolarHBondContact CA-O 3.16Å; V185-F197 PolarHBondContact N-O 2.93Å; V185-F197 PolarHBondContact O-N 3.06Å; I187-F197 HydrophobicContact CD1-CE2 4.17Å; I195-F197 HydrophobicContact CG2-CE1 3.73Å; I195-F197 HydrophobicContact CG2-CE2 3.85Å; I195-F197 HydrophobicContact CG2-CZ 3.33Å; F197-I202 HydrophobicContact CB-CD1 4Å; F197-I202 HydrophobicContact CB-CG1 3.94Å; F197-I202 WeakPolarHBondContact O-CD1 3.22Å; F197-I216 HydrophobicContact CB-CD1 4.5Å; F197-I216 HydrophobicContact CD1-CD1 3.78Å; F197-I216 HydrophobicContact CD1-CG2 4.33Å; F197-I216 HydrophobicContact CD2-CD1 3.61Å; F197-I216 HydrophobicContact CE1-CD1 3.76Å; F197-I216 HydrophobicContact CE2-CD1 3.58Å; F197-I216 HydrophobicContact CG-CD1 3.69Å; F197-I216 HydrophobicContact CG-CG1 4.36Å; F197-I216 HydrophobicContact CZ-CD1 3.65Å; F197-F223 HydrophobicContact CD1-CE2 4.49Å; F197-F223 HydrophobicContact CD1-CZ 4.26Å; F197-F223 AromaticContact CE1-CE2 3.69Å; F197-F223 HydrophobicContact CE1-CE2 3.69Å; F197-F223 AromaticContact CE1-CZ 3.74Å; F197-F223 HydrophobicContact CE1-CZ 3.74Å; F197-F223 AromaticContact CZ-CE2 3.98Å; F197-F223 HydrophobicContact CZ-CE2 3.98Å; F197-F223 HydrophobicContact CZ-CZ 4.48Å; F197-Y225 HydrophobicContact CE2-CD2 4.47Å; F197-Y225 HydrophobicContact CE2-CG 4.28Å; F197-Y225 HydrophobicContact CZ-CD2 4.43Å
198	S	92.4	Very high	90.2	Very high	50 Å²	50	69.1 Å²	69.1	35%	0.35	35%	0.353	S	S	.	.			trans	-66.4	145.8	179.2	-48.3	0	0	0	0	112.1	P200 H201 I202	S198-P200 VanDerWaalsContact C-N 3.28Å; S198-P200 VanDerWaalsContact O-N 3.09Å; S198-H201 PolarHBondContact O-N 2.6Å; S198-I202 PolarHBondContact O-N 2.9Å
199	W	93	Very high	90	Very high	12 Å²	12	73.7 Å²	73.7	5%	0.045	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.9	-179.4	-65.1	120.5	0	0	0	116.3	G181 P182 G184 V185 H201 I202 F205 Y245 L246 Y249 R250	G181-W199 WeakPolarHBondContact O-CZ2 3.02Å; G181-W199 PolarHBondContact O-NE1 3.38Å; P182-W199 VanDerWaalsContact O-CD1 3.3Å; P182-W199 PolarHBondContact O-NE1 3.14Å; G184-W199 VanDerWaalsContact CA-CE2 3.5Å; G184-W199 WeakPolarHBondContact O-CZ2 3.35Å; V185-W199 HydrophobicContact CG2-CH2 3.82Å; V185-W199 HydrophobicContact CG2-CZ3 3.95Å; W199-H201 VanDerWaalsContact C-N 3.35Å; W199-H201 PolarHBondContact O-N 3.24Å; W199-I202 HydrophobicContact CE3-CD1 3.96Å; W199-I202 HydrophobicContact CZ3-CD1 4.01Å; W199-F205 HydrophobicContact CZ3-CE2 4.15Å; W199-F205 HydrophobicContact CZ3-CZ 4.14Å; W199-Y245 HydrophobicContact CZ2-CD1 4.08Å; W199-L246 HydrophobicContact CE3-CB 4.36Å; W199-L246 HydrophobicContact CE3-CD1 3.65Å; W199-L246 HydrophobicContact CZ3-CB 4.14Å; W199-L246 HydrophobicContact CZ3-CD1 4.11Å; W199-Y249 VanDerWaalsContact CD1-CB 3.47Å; W199-Y249 AromaticContact CD1-CG 3.79Å; W199-Y249 AromaticContact CE2-CD2 3.76Å; W199-Y249 HydrophobicContact CG-CG 4.49Å; W199-Y249 HydrophobicContact CZ2-CD2 4.08Å; W199-Y249 AromaticContact NE1-CD2 3.43Å; W199-Y249 AromaticContact NE1-CG 3.54Å; W199-R250 PolarHBondContact O-NE 3.31Å; W199-R250 PolarHBondContact O-NH2 3.42Å
200	P	90.5	Very high	90.1	Very high	98 Å²	98	77.7 Å²	77.7	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.1	171.4	-27.3	37.5	0	0	0	113.8	S198 R250	S198-P200 VanDerWaalsContact C-N 3.28Å; S198-P200 VanDerWaalsContact O-N 3.09Å; P200-R250 PolarHBondContact O-NH2 3.45Å
201	H	92.4	Very high	90.6	Very high	75 Å²	75	76.2 Å²	76.2	35%	0.347	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-24.3	-174.5	-62.3	-177	0	0	0	112.9	S198 W199 T203 I216 L217 N218	S198-H201 PolarHBondContact O-N 2.6Å; W199-H201 VanDerWaalsContact C-N 3.35Å; W199-H201 PolarHBondContact O-N 3.24Å; H201-T203 PolarHBondContact O-N 3.41Å; H201-T203 VanDerWaalsContact O-N 3.15Å; H201-I216 HydrophobicContact CB-CG2 4.13Å; H201-I216 WeakPolarHBondContact O-CA 3.04Å; H201-L217 WeakPolarHBondContact CB-O 3.48Å; H201-L217 PolarHBondContact O-N 3.5Å; H201-N218 PolarHBondContact CE1-OD1 3.21Å; H201-N218 VanDerWaalsContact CE1-OD1 3.27Å; H201-N218 PolarHBondContact ND1-OD1 3.23Å
202	I	94.5	Very high	91.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	102.1	179.4	-58.9	173.4	0	0	0	109.9	V185 F197 S198 W199 G204 F205 I214 L246 R250	V185-I202 HydrophobicContact CB-CD1 3.84Å; V185-I202 HydrophobicContact CG2-CD1 3.41Å; V185-I202 VanDerWaalsContact CG2-CD1 3.41Å; F197-I202 HydrophobicContact CB-CD1 4Å; F197-I202 HydrophobicContact CB-CG1 3.94Å; F197-I202 WeakPolarHBondContact O-CD1 3.22Å; S198-I202 PolarHBondContact O-N 2.9Å; W199-I202 HydrophobicContact CE3-CD1 3.96Å; W199-I202 HydrophobicContact CZ3-CD1 4.01Å; I202-G204 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 3.21Å; I202-F205 HydrophobicContact CD1-CZ 4.34Å; I202-F205 HydrophobicContact CG2-CD2 4.34Å; I202-F205 HydrophobicContact CG2-CE2 3.71Å; I202-F205 HydrophobicContact CG2-CZ 3.85Å; I202-I214 HydrophobicContact CG1-CG2 4.49Å; I202-I214 HydrophobicContact CG2-CG2 4.08Å; I202-L246 HydrophobicContact CB-CD1 4.22Å; I202-L246 HydrophobicContact CG2-CD1 4.13Å; I202-R250 PolarHBondContact O-NH1 2.86Å; I202-R250 PolarHBondContact O-NH2 2.91Å
203	T	93.4	Very high	91.9	Very high	66 Å²	66	61.7 Å²	61.7	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-30.5	179.1	63.3	0	0	0	0	113.3	H201 K215 L217	H201-T203 PolarHBondContact O-N 3.41Å; H201-T203 VanDerWaalsContact O-N 3.15Å; T203-K215 PolarHBondContact N-O 3.35Å; T203-K215 VanDerWaalsContact OG1-CB 3.23Å; T203-K215 WeakPolarHBondContact OG1-CB 3.3Å; T203-K215 PolarHBondContact OG1-O 2.56Å; T203-L217 HydrophobicContact CG2-CB 3.52Å; T203-L217 HydrophobicContact CG2-CD2 4.4Å
204	G	94.3	Very high	92.6	Very high	15 Å²	15	57.2 Å²	57.2	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	175.3	178.1	0	0	0	0	0	113.6	I202 K215	I202-G204 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 3.21Å; G204-K215 PolarHBondContact N-O 2.76Å; G204-K215 WeakPolarHBondContact O-CB 3.43Å; G204-K215 PolarHBondContact O-N 3.11Å
205	F	96.1	Very high	93	Very high	21 Å²	21	57.7 Å²	57.7	9%	0.092	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.7	175.5	-61.5	-95.1	0	0	0	110.9	V185 W199 I202 I212 I214 L239 C242 L246	V185-F205 HydrophobicContact CG2-CE1 4.23Å; V185-F205 HydrophobicContact CG2-CZ 3.76Å; W199-F205 HydrophobicContact CZ3-CE2 4.15Å; W199-F205 HydrophobicContact CZ3-CZ 4.14Å; I202-F205 HydrophobicContact CD1-CZ 4.34Å; I202-F205 HydrophobicContact CG2-CD2 4.34Å; I202-F205 HydrophobicContact CG2-CE2 3.71Å; I202-F205 HydrophobicContact CG2-CZ 3.85Å; F205-I212 HydrophobicContact CD1-CG2 4.48Å; F205-I214 HydrophobicContact CD1-CB 4.37Å; F205-I214 HydrophobicContact CD1-CG1 4Å; F205-I214 HydrophobicContact CD1-CG2 4.16Å; F205-I214 HydrophobicContact CE1-CB 4.27Å; F205-I214 HydrophobicContact CE1-CD1 4.25Å; F205-I214 HydrophobicContact CE1-CG1 3.88Å; F205-I214 HydrophobicContact CE1-CG2 3.72Å; F205-I214 HydrophobicContact CZ-CG2 4.29Å; F205-L239 HydrophobicContact CB-CD1 3.62Å; F205-C242 HydrophobicContact CB-CB 4.48Å; F205-C242 HydrophobicContact CD1-CB 3.66Å; F205-C242 HydrophobicContact CD2-CB 3.86Å; F205-C242 HydrophobicContact CE1-CB 3.68Å; F205-C242 HydrophobicContact CE2-CB 3.9Å; F205-C242 HydrophobicContact CG-CB 3.75Å; F205-C242 HydrophobicContact CZ-CB 3.8Å; F205-L246 HydrophobicContact CD2-CB 4.44Å; F205-L246 HydrophobicContact CD2-CD2 3.99Å; F205-L246 HydrophobicContact CE2-CB 4.02Å; F205-L246 HydrophobicContact CE2-CD2 4.06Å; F205-L246 HydrophobicContact CE2-CG 4.44Å
206	S	94.1	Very high	93.2	Very high	31 Å²	31	54.6 Å²	54.6	22%	0.217	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	170.8	172.5	41.6	0	0	0	0	109.4	L213 K215	S206-L213 PolarHBondContact N-O 2.72Å; S206-L213 PolarHBondContact O-N 3.07Å; S206-K215 VanDerWaalsContact OG-CE 3.25Å; S206-K215 WeakPolarHBondContact OG-CE 3.47Å
207	H	92.5	Very high	93.3	Very high	83 Å²	83	53.6 Å²	53.6	38%	0.384	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.3	174	77.7	-65.7	0	0	0	111	Q211 L239	H207-Q211 CarbonylContact C-O 3.46Å; H207-Q211 WeakPolarHBondContact CA-O 3.24Å; H207-Q211 VanDerWaalsContact CB-O 3.29Å; H207-Q211 WeakPolarHBondContact CB-O 3.43Å; H207-L239 HydrophobicContact CB-CD2 4.01Å; H207-L239 WeakPolarHBondContact ND1-CD2 3.15Å
208	K	89.9	Confident	93.1	Very high	138 Å²	138	55.3 Å²	55.3	60%	0.6	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	110.3	166.4	-173.3	178.5	-178.8	179.2	0	108.3	K210 Q211 L213	K208-K210 PolarHBondContact O-N 3.42Å; K208-K210 VanDerWaalsContact O-N 3.1Å; K208-Q211 PolarHBondContact N-O 2.73Å; K208-Q211 PolarHBondContact O-N 3.2Å; K208-L213 HydrophobicContact CB-CD1 4.12Å
209	H	87.6	Confident	92.8	Very high	142 Å²	142	61.3 Å²	61.3	66%	0.657	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	-114.5	-168.9	-46.8	-77.2	0	0	0	111.4	C235	H209-C235 PolarHBondContact O-SG 3.36Å
210	K	92.1	Very high	92.5	Very high	107 Å²	107	63.7 Å²	63.7	47%	0.465	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.1	-179.2	-67.4	-172.7	177.4	-163.9	0	114.8	K208 V229 D230	K208-K210 PolarHBondContact O-N 3.42Å; K208-K210 VanDerWaalsContact O-N 3.1Å; K210-V229 WeakPolarHBondContact CB-O 3.44Å; K210-V229 PolarHBondContact O-N 3.02Å; K210-D230 VanDerWaalsContact CD-O 3.3Å; K210-D230 WeakPolarHBondContact CD-O 3.33Å; K210-D230 WeakPolarHBondContact CE-O 3.39Å; K210-D230 PolarHBondContact NZ-O 3.37Å
211	Q	93.7	Very high	92.5	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138	-178.9	-65.6	179.4	0.4	0	0	112.4	H207 K208 L213 C227	H207-Q211 CarbonylContact C-O 3.46Å; H207-Q211 WeakPolarHBondContact CA-O 3.24Å; H207-Q211 VanDerWaalsContact CB-O 3.29Å; H207-Q211 WeakPolarHBondContact CB-O 3.43Å; K208-Q211 PolarHBondContact N-O 2.73Å; K208-Q211 PolarHBondContact O-N 3.2Å; Q211-L213 HydrophobicContact CB-CD1 4.37Å; Q211-C227 CarbonylContact C-O 3.48Å; Q211-C227 VanDerWaalsContact CA-O 3.24Å; Q211-C227 WeakPolarHBondContact CA-O 3.43Å
212	I	94.6	Very high	92.5	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.5	169.8	-59.9	178.5	0	0	0	108.9	F205 C227 V229 C235 L238	F205-I212 HydrophobicContact CD1-CG2 4.48Å; I212-C227 PolarHBondContact N-O 3.43Å; I212-C227 PolarHBondContact O-N 2.68Å; I212-V229 HydrophobicContact CD1-CG2 4.06Å; I212-V229 HydrophobicContact CG1-CG2 4.33Å; I212-C235 VanDerWaalsContact CG1-SG 3.54Å; I212-L238 HydrophobicContact CD1-CB 3.81Å; I212-L238 HydrophobicContact CD1-CD2 3.72Å; I212-L238 HydrophobicContact CD1-CG 3.6Å
213	L	94.9	Very high	92.4	Very high	36 Å²	36	74 Å²	74	19%	0.188	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.3	-175.7	-68	88.8	0	0	0	109.1	S206 K208 Q211 T224 Y225	S206-L213 PolarHBondContact N-O 2.72Å; S206-L213 PolarHBondContact O-N 3.07Å; K208-L213 HydrophobicContact CB-CD1 4.12Å; Q211-L213 HydrophobicContact CB-CD1 4.37Å; L213-T224 HydrophobicContact CB-CG2 3.76Å; L213-T224 HydrophobicContact CD2-CG2 4.09Å; L213-T224 HydrophobicContact CG-CG2 4.29Å; L213-Y225 WeakPolarHBondContact CA-O 3.21Å
214	I	95.6	Very high	92.4	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.1	-179.6	-45.2	179.2	0	0	0	108	L178 V185 I187 I202 F205 I216 T224 Y225	L178-I214 HydrophobicContact CD1-CD1 3.99Å; V185-I214 HydrophobicContact CG1-CD1 4.25Å; I187-I214 HydrophobicContact CD1-CD1 4.3Å; I202-I214 HydrophobicContact CG1-CG2 4.49Å; I202-I214 HydrophobicContact CG2-CG2 4.08Å; F205-I214 HydrophobicContact CD1-CB 4.37Å; F205-I214 HydrophobicContact CD1-CG1 4Å; F205-I214 HydrophobicContact CD1-CG2 4.16Å; F205-I214 HydrophobicContact CE1-CB 4.27Å; F205-I214 HydrophobicContact CE1-CD1 4.25Å; F205-I214 HydrophobicContact CE1-CG1 3.88Å; F205-I214 HydrophobicContact CE1-CG2 3.72Å; F205-I214 HydrophobicContact CZ-CG2 4.29Å; I214-I216 HydrophobicContact CB-CD1 4.37Å; I214-I216 HydrophobicContact CG2-CD1 4.03Å; I214-I216 HydrophobicContact CG2-CG1 3.92Å; I214-T224 VanDerWaalsContact O-CA 3.31Å; I214-T224 WeakPolarHBondContact O-CA 3.47Å; I214-Y225 HydrophobicContact CD1-CD1 4.23Å; I214-Y225 PolarHBondContact N-O 2.81Å; I214-Y225 PolarHBondContact O-N 3.36Å
215	K	95.4	Very high	92.3	Very high	96 Å²	96	74.4 Å²	74.4	42%	0.417	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.8	-175.9	-63.8	179.5	175.5	174.3	0	110.1	T203 G204 S206 T224	T203-K215 PolarHBondContact N-O 3.35Å; T203-K215 VanDerWaalsContact OG1-CB 3.23Å; T203-K215 WeakPolarHBondContact OG1-CB 3.3Å; T203-K215 PolarHBondContact OG1-O 2.56Å; G204-K215 PolarHBondContact N-O 2.76Å; G204-K215 WeakPolarHBondContact O-CB 3.43Å; G204-K215 PolarHBondContact O-N 3.11Å; S206-K215 VanDerWaalsContact OG-CE 3.25Å; S206-K215 WeakPolarHBondContact OG-CE 3.47Å; K215-T224 HydrophobicContact CG-CG2 4.45Å
216	I	95.5	Very high	92.2	Very high	3 Å²	3	79.9 Å²	79.9	2%	0.015	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.6	-169.5	-56	151.6	0	0	0	109.9	F197 H201 I214 R222 F223	F197-I216 HydrophobicContact CB-CD1 4.5Å; F197-I216 HydrophobicContact CD1-CD1 3.78Å; F197-I216 HydrophobicContact CD1-CG2 4.33Å; F197-I216 HydrophobicContact CD2-CD1 3.61Å; F197-I216 HydrophobicContact CE1-CD1 3.76Å; F197-I216 HydrophobicContact CE2-CD1 3.58Å; F197-I216 HydrophobicContact CG-CD1 3.69Å; F197-I216 HydrophobicContact CG-CG1 4.36Å; F197-I216 HydrophobicContact CZ-CD1 3.65Å; H201-I216 HydrophobicContact CB-CG2 4.13Å; H201-I216 WeakPolarHBondContact O-CA 3.04Å; I214-I216 HydrophobicContact CB-CD1 4.37Å; I214-I216 HydrophobicContact CG2-CD1 4.03Å; I214-I216 HydrophobicContact CG2-CG1 3.92Å; I216-R222 WeakPolarHBondContact O-CA 3.29Å; I216-F223 HydrophobicContact CB-CD1 4.28Å; I216-F223 HydrophobicContact CB-CD2 4.21Å; I216-F223 HydrophobicContact CB-CE1 3.92Å; I216-F223 HydrophobicContact CB-CE2 3.86Å; I216-F223 HydrophobicContact CB-CG 4.42Å; I216-F223 HydrophobicContact CB-CZ 3.71Å; I216-F223 HydrophobicContact CD1-CD2 4.05Å; I216-F223 HydrophobicContact CD1-CE2 3.43Å; I216-F223 VanDerWaalsContact CD1-CE2 3.43Å; I216-F223 HydrophobicContact CD1-CZ 3.94Å; I216-F223 HydrophobicContact CG1-CE2 4.25Å; I216-F223 HydrophobicContact CG1-CZ 4.43Å; I216-F223 HydrophobicContact CG2-CD1 4.35Å; I216-F223 HydrophobicContact CG2-CE1 3.56Å; I216-F223 HydrophobicContact CG2-CE2 4.02Å; I216-F223 HydrophobicContact CG2-CZ 3.37Å; I216-F223 PolarHBondContact N-O 3.33Å; I216-F223 PolarHBondContact O-N 3Å; I216-F223 VanDerWaalsContact O-O 3.13Å
217	L	93.2	Very high	92.2	Very high	69 Å²	69	78.4 Å²	78.4	36%	0.361	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.3	175.1	177.1	72.2	0	0	0	108.1	H201 T203 T221 R222	H201-L217 WeakPolarHBondContact CB-O 3.48Å; H201-L217 PolarHBondContact O-N 3.5Å; T203-L217 HydrophobicContact CG2-CB 3.52Å; T203-L217 HydrophobicContact CG2-CD2 4.4Å; L217-T221 WeakPolarHBondContact CA-O 3.43Å; L217-R222 HydrophobicContact CD1-CG 3.74Å
218	N	88.6	Confident	92.2	Very high	57 Å²	57	75.6 Å²	75.6	31%	0.305	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.5	176.4	-169	59.6	0	0	0	109.3	H201 G220 T221 F223	H201-N218 PolarHBondContact CE1-OD1 3.21Å; H201-N218 VanDerWaalsContact CE1-OD1 3.27Å; H201-N218 PolarHBondContact ND1-OD1 3.23Å; N218-G220 PolarHBondContact O-N 2.78Å; N218-G220 VanDerWaalsContact O-N 3.08Å; N218-T221 PolarHBondContact N-O 3Å; N218-T221 WeakPolarHBondContact O-CA 3.15Å; N218-T221 WeakPolarHBondContact O-CB 3.44Å; N218-T221 PolarHBondContact O-N 3.32Å; N218-T221 PolarHBondContact O-OG1 3.07Å; N218-F223 HydrophobicContact CB-CE1 3.9Å
219	E	87.5	Confident	92.4	Very high	176 Å²	176	69.7 Å²	69.7	82%	0.822	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	34.5	178.8	-58.2	-176.5	170.4	0	0	114	T221	E219-T221 PolarHBondContact O-N 2.9Å
220	G	86.3	Confident	92.5	Very high	63 Å²	63	67.2 Å²	67.2	65%	0.649	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-22.2	-175.6	0	0	0	0	0	114.8	N218	N218-G220 PolarHBondContact O-N 2.78Å; N218-G220 VanDerWaalsContact O-N 3.08Å
221	T	90.4	Very high	92.4	Very high	87 Å²	87	66.3 Å²	66.3	53%	0.534	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.2	173.2	73.2	0	0	0	0	110.9	L217 N218 E219	L217-T221 WeakPolarHBondContact CA-O 3.43Å; N218-T221 PolarHBondContact N-O 3Å; N218-T221 WeakPolarHBondContact O-CA 3.15Å; N218-T221 WeakPolarHBondContact O-CB 3.44Å; N218-T221 PolarHBondContact O-N 3.32Å; N218-T221 PolarHBondContact O-OG1 3.07Å; E219-T221 PolarHBondContact O-N 2.9Å
222	R	92.3	Very high	92.2	Very high	219 Å²	219	66.1 Å²	66.1	83%	0.826	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	125	173.9	-70	179.5	179.7	175	0.4	109.1	I216 L217	I216-R222 WeakPolarHBondContact O-CA 3.29Å; L217-R222 HydrophobicContact CD1-CG 3.74Å
223	F	92.3	Very high	92	Very high	83 Å²	83	73.6 Å²	73.6	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	164.3	171.3	65.3	-83.9	0	0	0	110.5	F197 I216 N218	F197-F223 HydrophobicContact CD1-CE2 4.49Å; F197-F223 HydrophobicContact CD1-CZ 4.26Å; F197-F223 AromaticContact CE1-CE2 3.69Å; F197-F223 HydrophobicContact CE1-CE2 3.69Å; F197-F223 AromaticContact CE1-CZ 3.74Å; F197-F223 HydrophobicContact CE1-CZ 3.74Å; F197-F223 AromaticContact CZ-CE2 3.98Å; F197-F223 HydrophobicContact CZ-CE2 3.98Å; F197-F223 HydrophobicContact CZ-CZ 4.48Å; I216-F223 HydrophobicContact CB-CD1 4.28Å; I216-F223 HydrophobicContact CB-CD2 4.21Å; I216-F223 HydrophobicContact CB-CE1 3.92Å; I216-F223 HydrophobicContact CB-CE2 3.86Å; I216-F223 HydrophobicContact CB-CG 4.42Å; I216-F223 HydrophobicContact CB-CZ 3.71Å; I216-F223 HydrophobicContact CD1-CD2 4.05Å; I216-F223 HydrophobicContact CD1-CE2 3.43Å; I216-F223 VanDerWaalsContact CD1-CE2 3.43Å; I216-F223 HydrophobicContact CD1-CZ 3.94Å; I216-F223 HydrophobicContact CG1-CE2 4.25Å; I216-F223 HydrophobicContact CG1-CZ 4.43Å; I216-F223 HydrophobicContact CG2-CD1 4.35Å; I216-F223 HydrophobicContact CG2-CE1 3.56Å; I216-F223 HydrophobicContact CG2-CE2 4.02Å; I216-F223 HydrophobicContact CG2-CZ 3.37Å; I216-F223 PolarHBondContact N-O 3.33Å; I216-F223 PolarHBondContact O-N 3Å; I216-F223 VanDerWaalsContact O-O 3.13Å; N218-F223 HydrophobicContact CB-CE1 3.9Å
224	T	93.5	Very high	91.9	Very high	60 Å²	60	75 Å²	75	37%	0.368	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	108.9	179.4	-62.8	0	0	0	0	109.3	L213 I214 K215	L213-T224 HydrophobicContact CB-CG2 3.76Å; L213-T224 HydrophobicContact CD2-CG2 4.09Å; L213-T224 HydrophobicContact CG-CG2 4.29Å; I214-T224 VanDerWaalsContact O-CA 3.31Å; I214-T224 WeakPolarHBondContact O-CA 3.47Å; K215-T224 HydrophobicContact CG-CG2 4.45Å
225	Y	93.2	Very high	91.8	Very high	29 Å²	29	75 Å²	75	11%	0.114	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140	171.3	-170.8	-87	0	0	0	109.3	E169 I187 I195 F197 L213 I214 C227	E169-Y225 VanDerWaalsContact CD-OH 3.31Å; E169-Y225 VanDerWaalsContact CG-OH 3.31Å; E169-Y225 WeakPolarHBondContact CG-OH 2.97Å; E169-Y225 WeakPolarHBondContact OE1-CE2 3.48Å; E169-Y225 PolarHBondContact OE1-OH 2.87Å; I187-Y225 HydrophobicContact CD1-CD1 3.44Å; I187-Y225 VanDerWaalsContact CD1-CD1 3.44Å; I187-Y225 HydrophobicContact CD1-CD2 4.43Å; I187-Y225 HydrophobicContact CD1-CE1 3.2Å; I187-Y225 HydrophobicContact CD1-CE2 4.24Å; I187-Y225 HydrophobicContact CD1-CG 4.07Å; I195-Y225 HydrophobicContact CD1-CE2 4.4Å; F197-Y225 HydrophobicContact CE2-CD2 4.47Å; F197-Y225 HydrophobicContact CE2-CG 4.28Å; F197-Y225 HydrophobicContact CZ-CD2 4.43Å; L213-Y225 WeakPolarHBondContact CA-O 3.21Å; I214-Y225 HydrophobicContact CD1-CD1 4.23Å; I214-Y225 PolarHBondContact N-O 2.81Å; I214-Y225 PolarHBondContact O-N 3.36Å; Y225-C227 HydrophobicContact CE1-CB 4.15Å
226	R	93.4	Very high	91.7	Very high	137 Å²	137	73.8 Å²	73.8	52%	0.517	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.1	-176.6	-55.2	-177.6	-161.5	168.2	5	109.8	T170	T170-R226 WeakPolarHBondContact CB-O 3.31Å; T170-R226 HydrophobicContact CG2-CB 4.22Å; T170-R226 PolarHBondContact N-O 3.39Å; T170-R226 VanDerWaalsContact OG1-C 3.24Å; T170-R226 PolarHBondContact OG1-O 3.42Å
227	C	93.3	Very high	91.6	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.1	169.4	51.3	0	0	0	0	110.8	I167 K168 T170 Q211 I212 Y225	I167-C227 HydrophobicContact CB-CB 4.18Å; I167-C227 HydrophobicContact CD1-CB 3.45Å; I167-C227 VanDerWaalsContact CD1-CB 3.45Å; I167-C227 HydrophobicContact CG1-CB 4.4Å; K168-C227 CarbonylContact O-C 3.56Å; K168-C227 WeakPolarHBondContact O-CA 3.23Å; T170-C227 VanDerWaalsContact OG1-C 3.28Å; T170-C227 WeakPolarHBondContact OG1-CA 2.84Å; T170-C227 PolarHBondContact OG1-N 3.42Å; Q211-C227 CarbonylContact C-O 3.48Å; Q211-C227 VanDerWaalsContact CA-O 3.24Å; Q211-C227 WeakPolarHBondContact CA-O 3.43Å; I212-C227 PolarHBondContact N-O 3.43Å; I212-C227 PolarHBondContact O-N 2.68Å; Y225-C227 HydrophobicContact CE1-CB 4.15Å
228	S	93.5	Very high	91.7	Very high	23 Å²	23	74.5 Å²	74.5	16%	0.161	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.8	-179.9	-52.5	0	0	0	0	109.8	I167 K168 T170	I167-S228 WeakPolarHBondContact CA-O 3.46Å; K168-S228 PolarHBondContact N-O 2.94Å; K168-S228 PolarHBondContact O-N 3.05Å; T170-S228 PolarHBondContact OG1-N 3.29Å; T170-S228 PolarHBondContact OG1-OG 2.8Å
229	V	93.5	Very high	92.1	Very high	15 Å²	15	72.1 Å²	72.1	9%	0.091	38%	0.378	C	S	.	.			trans	-125.9	153	175.2	-159.1	0	0	0	0	108.4	I167 K210 I212 N231 T234 C235 L238	I167-V229 HydrophobicContact CG2-CG2 4.41Å; K210-V229 WeakPolarHBondContact CB-O 3.44Å; K210-V229 PolarHBondContact O-N 3.02Å; I212-V229 HydrophobicContact CD1-CG2 4.06Å; I212-V229 HydrophobicContact CG1-CG2 4.33Å; V229-N231 PolarHBondContact O-N 2.8Å; V229-T234 WeakPolarHBondContact CG1-OG1 3.47Å; V229-C235 HydrophobicContact CB-CB 4.44Å; V229-C235 HydrophobicContact CG2-CB 4.38Å; V229-L238 HydrophobicContact CG2-CD2 4.42Å
230	D	90.2	Very high	92.4	Very high	89 Å²	89	68.1 Å²	68.1	48%	0.476	36%	0.359	S	S	.	.	S	Bend	trans	-68.6	-33.2	-173.1	-64.6	-60.4	0	0	0	114	K168 K210	K168-D230 IonicContact NZ-OD1 3.73Å; K168-D230 PolarHBondContact NZ-OD1 3.18Å; K168-D230 IonicContact NZ-OD2 3.92Å; K210-D230 VanDerWaalsContact CD-O 3.3Å; K210-D230 WeakPolarHBondContact CD-O 3.33Å; K210-D230 WeakPolarHBondContact CE-O 3.39Å; K210-D230 PolarHBondContact NZ-O 3.37Å
231	N	88.8	Confident	92.9	Very high	89 Å²	89	67 Å²	67	48%	0.476	34%	0.34	S	S	.	.			trans	-123.9	155.1	-177.9	-67.9	-12.8	0	0	0	113.2	V229 T234 C235	V229-N231 PolarHBondContact O-N 2.8Å; N231-T234 HydrophobicContact CB-CG2 4.46Å; N231-T234 WeakPolarHBondContact CB-OG1 3.42Å; N231-T234 PolarHBondContact N-OG1 3.46Å; N231-T234 PolarHBondContact O-OG1 3Å; N231-C235 WeakPolarHBondContact O-CB 3.33Å; N231-C235 PolarHBondContact O-N 3.12Å; N231-C235 VanDerWaalsContact O-N 3.08Å
232	S	90.5	Very high	93.1	Very high	57 Å²	57	62.8 Å²	62.8	40%	0.399	32%	0.315	S	S	.	.	H	α-helix	trans	-69.6	-40.3	177.9	-164.7	0	0	0	0	111.9	T234 C235 N236	S232-T234 PolarHBondContact O-N 3.04Å; S232-C235 VanDerWaalsContact O-CB 3.32Å; S232-C235 WeakPolarHBondContact O-CB 3.47Å; S232-C235 PolarHBondContact O-N 3.45Å; S232-N236 PolarHBondContact O-N 2.92Å; S232-N236 PolarHBondContact O-ND2 3.49Å
233	E	90.6	Very high	93.2	Very high	158 Å²	158	55.9 Å²	55.9	74%	0.738	29%	0.29	S	S	*	.	H	α-helix	trans	-59	-45.8	174.9	-67.9	165.2	-147.5	0	0	112.5	C235 N236 S237	E233-C235 VanDerWaalsContact C-N 3.33Å; E233-C235 PolarHBondContact O-N 3.47Å; E233-N236 PolarHBondContact O-N 3.43Å; E233-S237 WeakPolarHBondContact O-CB 3.12Å; E233-S237 PolarHBondContact O-N 3.35Å
234	T	92.6	Very high	93.3	Very high	64 Å²	64	54.3 Å²	54.3	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-36.1	176.6	48.3	0	0	0	0	111.6	V229 N231 S232 L238	V229-T234 WeakPolarHBondContact CG1-OG1 3.47Å; N231-T234 HydrophobicContact CB-CG2 4.46Å; N231-T234 WeakPolarHBondContact CB-OG1 3.42Å; N231-T234 PolarHBondContact N-OG1 3.46Å; N231-T234 PolarHBondContact O-OG1 3Å; S232-T234 PolarHBondContact O-N 3.04Å; T234-L238 WeakPolarHBondContact O-CB 3.5Å; T234-L238 PolarHBondContact O-N 2.75Å
235	C	93.9	Very high	93.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-46	172	-175.1	0	0	0	0	111.4	H209 I212 V229 N231 S232 E233 L239	H209-C235 PolarHBondContact O-SG 3.36Å; I212-C235 VanDerWaalsContact CG1-SG 3.54Å; V229-C235 HydrophobicContact CB-CB 4.44Å; V229-C235 HydrophobicContact CG2-CB 4.38Å; N231-C235 WeakPolarHBondContact O-CB 3.33Å; N231-C235 PolarHBondContact O-N 3.12Å; N231-C235 VanDerWaalsContact O-N 3.08Å; S232-C235 VanDerWaalsContact O-CB 3.32Å; S232-C235 WeakPolarHBondContact O-CB 3.47Å; S232-C235 PolarHBondContact O-N 3.45Å; E233-C235 VanDerWaalsContact C-N 3.33Å; E233-C235 PolarHBondContact O-N 3.47Å; C235-L239 WeakPolarHBondContact O-CB 3.28Å; C235-L239 PolarHBondContact O-N 3.36Å
236	N	92.8	Very high	93.4	Very high	72 Å²	72	51 Å²	51	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-44.7	178.1	-77.6	-32.2	0	0	0	113	S232 E233 L239 E240	S232-N236 PolarHBondContact O-N 2.92Å; S232-N236 PolarHBondContact O-ND2 3.49Å; E233-N236 PolarHBondContact O-N 3.43Å; N236-L239 PolarHBondContact O-N 3.2Å; N236-E240 WeakPolarHBondContact O-CB 3.49Å; N236-E240 PolarHBondContact O-N 3.25Å
237	S	93.8	Very high	93.4	Very high	80 Å²	80	48.6 Å²	48.6	56%	0.559	27%	0.265	S	S	*	.	H	α-helix	trans	-62.6	-43.8	177.1	-173.5	0	0	0	0	111.9	E233 E240 T241	E233-S237 WeakPolarHBondContact O-CB 3.12Å; E233-S237 PolarHBondContact O-N 3.35Å; S237-E240 PolarHBondContact O-N 3.36Å; S237-T241 PolarHBondContact O-N 3.28Å; S237-T241 PolarHBondContact O-OG1 3.45Å
238	L	95.4	Very high	93.3	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-69.4	-40.7	177	-177.7	50.7	0	0	0	112	F165 I167 L178 L180 I212 V229 T234 E240 T241 C242	F165-L238 HydrophobicContact CB-CD1 4.06Å; F165-L238 HydrophobicContact CB-CD2 3.88Å; F165-L238 HydrophobicContact CD1-CD1 3.64Å; F165-L238 HydrophobicContact CD1-CD2 4.46Å; F165-L238 HydrophobicContact CD2-CD1 3.53Å; F165-L238 HydrophobicContact CE1-CD1 3.89Å; F165-L238 HydrophobicContact CE2-CD1 3.81Å; F165-L238 HydrophobicContact CG-CD1 3.45Å; F165-L238 VanDerWaalsContact CG-CD1 3.45Å; F165-L238 HydrophobicContact CG-CD2 4.17Å; F165-L238 HydrophobicContact CG-CG 4.43Å; F165-L238 HydrophobicContact CZ-CD1 3.98Å; I167-L238 HydrophobicContact CG2-CD2 4.19Å; L178-L238 HydrophobicContact CD2-CD1 4.08Å; L178-L238 HydrophobicContact CD2-CD2 3.93Å; L178-L238 HydrophobicContact CD2-CG 4.18Å; L180-L238 HydrophobicContact CD1-CD1 4.39Å; I212-L238 HydrophobicContact CD1-CB 3.81Å; I212-L238 HydrophobicContact CD1-CD2 3.72Å; I212-L238 HydrophobicContact CD1-CG 3.6Å; V229-L238 HydrophobicContact CG2-CD2 4.42Å; T234-L238 WeakPolarHBondContact O-CB 3.5Å; T234-L238 PolarHBondContact O-N 2.75Å; L238-E240 VanDerWaalsContact C-N 3.3Å; L238-E240 PolarHBondContact O-N 3.2Å; L238-T241 WeakPolarHBondContact O-CB 3.37Å; L238-T241 PolarHBondContact O-N 3.18Å; L238-C242 WeakPolarHBondContact O-CB 3.18Å; L238-C242 PolarHBondContact O-N 3.19Å; L238-C242 PolarHBondContact O-SG 3.44Å
239	L	95.5	Very high	93.2	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-45.2	172.8	174.7	67.5	0	0	0	111.5	F205 H207 C235 N236 C242 K243	F205-L239 HydrophobicContact CB-CD1 3.62Å; H207-L239 HydrophobicContact CB-CD2 4.01Å; H207-L239 WeakPolarHBondContact ND1-CD2 3.15Å; C235-L239 WeakPolarHBondContact O-CB 3.28Å; C235-L239 PolarHBondContact O-N 3.36Å; N236-L239 PolarHBondContact O-N 3.2Å; L239-C242 PolarHBondContact O-N 3.43Å; L239-K243 HydrophobicContact CG-CD 4.42Å; L239-K243 WeakPolarHBondContact O-CG 3.41Å; L239-K243 PolarHBondContact O-N 3.26Å
240	E	95.2	Very high	92.8	Very high	91 Å²	91	53.7 Å²	53.7	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-68.5	-36.2	178.6	-169.1	54.2	-151.6	0	0	111.8	N236 S237 L238 K243 N244	N236-E240 WeakPolarHBondContact O-CB 3.49Å; N236-E240 PolarHBondContact O-N 3.25Å; S237-E240 PolarHBondContact O-N 3.36Å; L238-E240 VanDerWaalsContact C-N 3.3Å; L238-E240 PolarHBondContact O-N 3.2Å; E240-K243 PolarHBondContact O-N 2.91Å; E240-K243 WeakPolarHBondContact OE2-CD 3.48Å; E240-K243 IonicContact OE2-NZ 3.95Å; E240-K243 PolarHBondContact OE2-NZ 2.68Å; E240-N244 WeakPolarHBondContact O-CB 3.42Å; E240-N244 PolarHBondContact O-N 3.22Å; E240-N244 PolarHBondContact O-ND2 2.68Å; E240-N244 PolarHBondContact OE1-ND2 2.79Å
241	T	95.5	Very high	92.3	Very high	39 Å²	39	53.6 Å²	53.6	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-49.4	171.4	-55.1	0	0	0	0	111.4	F165 L180 S237 L238 K243 N244 Y245	F165-T241 HydrophobicContact CE2-CG2 4.5Å; F165-T241 HydrophobicContact CZ-CG2 4.03Å; L180-T241 HydrophobicContact CD1-CG2 3.88Å; S237-T241 PolarHBondContact O-N 3.28Å; S237-T241 PolarHBondContact O-OG1 3.45Å; L238-T241 WeakPolarHBondContact O-CB 3.37Å; L238-T241 PolarHBondContact O-N 3.18Å; T241-K243 PolarHBondContact O-N 2.96Å; T241-N244 PolarHBondContact O-N 2.91Å; T241-N244 VanDerWaalsContact O-N 3.15Å; T241-Y245 HydrophobicContact CG2-CD2 3.98Å; T241-Y245 HydrophobicContact CG2-CE2 3.95Å; T241-Y245 WeakPolarHBondContact O-CD2 3.43Å; T241-Y245 PolarHBondContact O-N 3.19Å
242	C	96	Very high	91.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-43.8	176.7	-72.5	0	0	0	0	112.9	F205 L238 L239 L246	F205-C242 HydrophobicContact CB-CB 4.48Å; F205-C242 HydrophobicContact CD1-CB 3.66Å; F205-C242 HydrophobicContact CD2-CB 3.86Å; F205-C242 HydrophobicContact CE1-CB 3.68Å; F205-C242 HydrophobicContact CE2-CB 3.9Å; F205-C242 HydrophobicContact CG-CB 3.75Å; F205-C242 HydrophobicContact CZ-CB 3.8Å; L238-C242 WeakPolarHBondContact O-CB 3.18Å; L238-C242 PolarHBondContact O-N 3.19Å; L238-C242 PolarHBondContact O-SG 3.44Å; L239-C242 PolarHBondContact O-N 3.43Å; C242-L246 WeakPolarHBondContact O-CB 3.3Å; C242-L246 PolarHBondContact O-N 3.15Å
243	K	94.7	Very high	89.7	Confident	74 Å²	74	59 Å²	59	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-44.6	174.1	-72.4	167.5	-176	165.8	0	112	L239 E240 T241 L246 N247	L239-K243 HydrophobicContact CG-CD 4.42Å; L239-K243 WeakPolarHBondContact O-CG 3.41Å; L239-K243 PolarHBondContact O-N 3.26Å; E240-K243 PolarHBondContact O-N 2.91Å; E240-K243 WeakPolarHBondContact OE2-CD 3.48Å; E240-K243 IonicContact OE2-NZ 3.95Å; E240-K243 PolarHBondContact OE2-NZ 2.68Å; T241-K243 PolarHBondContact O-N 2.96Å; K243-L246 PolarHBondContact O-N 2.92Å; K243-N247 WeakPolarHBondContact O-CB 3.47Å; K243-N247 PolarHBondContact O-N 3.12Å; K243-N247 PolarHBondContact O-ND2 2.88Å
244	N	94.4	Very high	88.4	Confident	50 Å²	50	52.1 Å²	52.1	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-68.1	-36.6	-178.4	-78.6	-63.8	0	0	0	112.3	E240 T241 F248	E240-N244 WeakPolarHBondContact O-CB 3.42Å; E240-N244 PolarHBondContact O-N 3.22Å; E240-N244 PolarHBondContact O-ND2 2.68Å; E240-N244 PolarHBondContact OE1-ND2 2.79Å; T241-N244 PolarHBondContact O-N 2.91Å; T241-N244 VanDerWaalsContact O-N 3.15Å; N244-F248 WeakPolarHBondContact O-CB 3.19Å; N244-F248 PolarHBondContact O-N 2.97Å
245	Y	94.7	Very high	87.1	Confident	6 Å²	6	52.3 Å²	52.3	2%	0.024	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-47.2	169.4	-89.2	-114.2	0	0	0	112	K51 Y52 I163 L180 W199 T241 N247 F248 Y249	K51-Y245 PolarHBondContact O-OH 3.17Å; K51-Y245 VanDerWaalsContact O-OH 3.07Å; Y52-Y245 HydrophobicContact CD1-CD2 4.26Å; Y52-Y245 HydrophobicContact CD1-CE2 4.08Å; Y52-Y245 AromaticContact CE1-CD2 3.89Å; Y52-Y245 HydrophobicContact CE1-CD2 3.89Å; Y52-Y245 AromaticContact CE1-CE2 3.92Å; Y52-Y245 HydrophobicContact CE1-CE2 3.92Å; Y52-Y245 HydrophobicContact CE1-CG 4.43Å; I163-Y245 WeakPolarHBondContact CD1-OH 3.34Å; L180-Y245 HydrophobicContact CB-CD1 3.89Å; L180-Y245 HydrophobicContact CB-CE1 3.98Å; L180-Y245 HydrophobicContact CB-CG 4.35Å; L180-Y245 HydrophobicContact CD1-CG 4.49Å; W199-Y245 HydrophobicContact CZ2-CD1 4.08Å; T241-Y245 HydrophobicContact CG2-CD2 3.98Å; T241-Y245 HydrophobicContact CG2-CE2 3.95Å; T241-Y245 WeakPolarHBondContact O-CD2 3.43Å; T241-Y245 PolarHBondContact O-N 3.19Å; Y245-N247 VanDerWaalsContact C-N 3.34Å; Y245-N247 PolarHBondContact O-N 3.28Å; Y245-F248 PolarHBondContact O-N 3.16Å; Y245-Y249 HydrophobicContact CD1-CD2 4.21Å; Y245-Y249 AromaticContact CD1-CE2 3.71Å; Y245-Y249 HydrophobicContact CD1-CE2 3.71Å; Y245-Y249 HydrophobicContact CE1-CE2 4.14Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.48Å; Y245-Y249 PolarHBondContact O-N 3Å
246	L	93.5	Very high	85.4	Confident	14 Å²	14	59 Å²	59	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-46.1	177.4	-175.4	65	0	0	0	111.9	W199 I202 F205 C242 K243 R250	W199-L246 HydrophobicContact CE3-CB 4.36Å; W199-L246 HydrophobicContact CE3-CD1 3.65Å; W199-L246 HydrophobicContact CZ3-CB 4.14Å; W199-L246 HydrophobicContact CZ3-CD1 4.11Å; I202-L246 HydrophobicContact CB-CD1 4.22Å; I202-L246 HydrophobicContact CG2-CD1 4.13Å; F205-L246 HydrophobicContact CD2-CB 4.44Å; F205-L246 HydrophobicContact CD2-CD2 3.99Å; F205-L246 HydrophobicContact CE2-CB 4.02Å; F205-L246 HydrophobicContact CE2-CD2 4.06Å; F205-L246 HydrophobicContact CE2-CG 4.44Å; C242-L246 WeakPolarHBondContact O-CB 3.3Å; C242-L246 PolarHBondContact O-N 3.15Å; K243-L246 PolarHBondContact O-N 2.92Å; L246-R250 HydrophobicContact CD1-CG 4.15Å; L246-R250 VanDerWaalsContact O-CB 3.23Å; L246-R250 WeakPolarHBondContact O-CB 3.3Å; L246-R250 WeakPolarHBondContact O-CG 3.49Å; L246-R250 PolarHBondContact O-N 3.48Å
247	N	92.4	Very high	83.7	Confident	85 Å²	85	60 Å²	60	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-50.2	176	-69.3	-20	0	0	0	110.5	K243 Y245 Y249 R250 N251	K243-N247 WeakPolarHBondContact O-CB 3.47Å; K243-N247 PolarHBondContact O-N 3.12Å; K243-N247 PolarHBondContact O-ND2 2.88Å; Y245-N247 VanDerWaalsContact C-N 3.34Å; Y245-N247 PolarHBondContact O-N 3.28Å; N247-Y249 PolarHBondContact O-N 3.44Å; N247-R250 PolarHBondContact O-N 3.24Å; N247-N251 VanDerWaalsContact O-CB 3.23Å; N247-N251 WeakPolarHBondContact O-CB 3.45Å; N247-N251 PolarHBondContact O-N 3.39Å; N247-N251 PolarHBondContact O-ND2 3.39Å; N247-N251 VanDerWaalsContact O-ND2 3.14Å; N247-N251 PolarHBondContact O-OD1 3.48Å
248	F	91.6	Very high	82	Confident	37 Å²	37	57 Å²	57	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-51.3	-179.3	-177.1	-91.6	0	0	0	111.9	Y52 N244 Y245 S254	Y52-F248 VanDerWaalsContact CB-CE1 3.4Å; Y52-F248 HydrophobicContact CD1-CB 4.1Å; Y52-F248 HydrophobicContact CD1-CD1 4.1Å; Y52-F248 HydrophobicContact CD1-CD2 4.46Å; Y52-F248 AromaticContact CD1-CG 3.94Å; Y52-F248 HydrophobicContact CD1-CG 3.94Å; Y52-F248 HydrophobicContact CD2-CB 4.31Å; Y52-F248 HydrophobicContact CD2-CD1 4.1Å; Y52-F248 AromaticContact CD2-CD2 3.28Å; Y52-F248 HydrophobicContact CD2-CD2 3.28Å; Y52-F248 HydrophobicContact CD2-CE1 4.29Å; Y52-F248 AromaticContact CD2-CE2 3.49Å; Y52-F248 HydrophobicContact CD2-CE2 3.49Å; Y52-F248 VanDerWaalsContact CD2-CE2 3.49Å; Y52-F248 AromaticContact CD2-CG 3.61Å; Y52-F248 HydrophobicContact CD2-CG 3.61Å; Y52-F248 HydrophobicContact CD2-CZ 4.01Å; Y52-F248 HydrophobicContact CE1-CB 3.98Å; Y52-F248 HydrophobicContact CE1-CG 4.24Å; Y52-F248 HydrophobicContact CE2-CB 4.19Å; Y52-F248 AromaticContact CE2-CD2 3.53Å; Y52-F248 HydrophobicContact CE2-CD2 3.53Å; Y52-F248 HydrophobicContact CE2-CE2 4.13Å; Y52-F248 AromaticContact CE2-CG 3.91Å; Y52-F248 HydrophobicContact CE2-CG 3.91Å; Y52-F248 HydrophobicContact CG-CB 4.25Å; Y52-F248 AromaticContact CG-CD1 3.7Å; Y52-F248 HydrophobicContact CG-CD1 3.7Å; Y52-F248 AromaticContact CG-CD2 3.78Å; Y52-F248 HydrophobicContact CG-CD2 3.78Å; Y52-F248 AromaticContact CG-CE1 3.96Å; Y52-F248 HydrophobicContact CG-CE1 3.96Å; Y52-F248 HydrophobicContact CG-CE2 4.02Å; Y52-F248 AromaticContact CG-CG 3.6Å; Y52-F248 HydrophobicContact CG-CG 3.6Å; Y52-F248 HydrophobicContact CG-CZ 4.12Å; N244-F248 WeakPolarHBondContact O-CB 3.19Å; N244-F248 PolarHBondContact O-N 2.97Å; Y245-F248 PolarHBondContact O-N 3.16Å; F248-S254 WeakPolarHBondContact O-CB 3.48Å; F248-S254 PolarHBondContact O-OG 3.14Å
249	Y	91	Very high	79.9	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-79.8	-17	-175.1	-71.2	-69.9	0	0	0	114.5	Y53 P55 P182 W199 Y245 N247 Q255	Y53-Y249 PolarHBondContact N-OH 3.2Å; Y53-Y249 VanDerWaalsContact N-OH 3.09Å; Y53-Y249 WeakPolarHBondContact O-CE1 3.19Å; Y53-Y249 PolarHBondContact O-OH 2.85Å; P55-Y249 HydrophobicContact CG-CD1 4.41Å; P55-Y249 HydrophobicContact CG-CE1 4.22Å; P182-Y249 HydrophobicContact CB-CE1 4.19Å; W199-Y249 VanDerWaalsContact CD1-CB 3.47Å; W199-Y249 AromaticContact CD1-CG 3.79Å; W199-Y249 AromaticContact CE2-CD2 3.76Å; W199-Y249 HydrophobicContact CG-CG 4.49Å; W199-Y249 HydrophobicContact CZ2-CD2 4.08Å; W199-Y249 AromaticContact NE1-CD2 3.43Å; W199-Y249 AromaticContact NE1-CG 3.54Å; Y245-Y249 HydrophobicContact CD1-CD2 4.21Å; Y245-Y249 AromaticContact CD1-CE2 3.71Å; Y245-Y249 HydrophobicContact CD1-CE2 3.71Å; Y245-Y249 HydrophobicContact CE1-CE2 4.14Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.48Å; Y245-Y249 PolarHBondContact O-N 3Å; N247-Y249 PolarHBondContact O-N 3.44Å; Y249-Q255 PolarHBondContact O-NE2 3.35Å
250	R	85.8	Confident	77.7	Confident	105 Å²	105	66.9 Å²	66.9	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-92	-23	171.1	-73.5	-177.3	157	-160.1	-14.5	114.6	W199 P200 I202 L246 N247 E252	W199-R250 PolarHBondContact O-NE 3.31Å; W199-R250 PolarHBondContact O-NH2 3.42Å; P200-R250 PolarHBondContact O-NH2 3.45Å; I202-R250 PolarHBondContact O-NH1 2.86Å; I202-R250 PolarHBondContact O-NH2 2.91Å; L246-R250 HydrophobicContact CD1-CG 4.15Å; L246-R250 VanDerWaalsContact O-CB 3.23Å; L246-R250 WeakPolarHBondContact O-CB 3.3Å; L246-R250 WeakPolarHBondContact O-CG 3.49Å; L246-R250 PolarHBondContact O-N 3.48Å; N247-R250 PolarHBondContact O-N 3.24Å; R250-E252 PolarHBondContact O-N 3.31Å
251	N	79.4	Confident	74.9	Confident	88 Å²	88	66.5 Å²	66.5	47%	0.471	33%	0.325	S	S	.	.			trans	-58.8	126.4	-177.6	-86.8	-21.9	0	0	0	111.5	N247 I253 S254 Q255	N247-N251 VanDerWaalsContact O-CB 3.23Å; N247-N251 WeakPolarHBondContact O-CB 3.45Å; N247-N251 PolarHBondContact O-N 3.39Å; N247-N251 PolarHBondContact O-ND2 3.39Å; N247-N251 VanDerWaalsContact O-ND2 3.14Å; N247-N251 PolarHBondContact O-OD1 3.48Å; N251-I253 PolarHBondContact O-N 3.02Å; N251-I253 VanDerWaalsContact O-N 3.1Å; N251-S254 WeakPolarHBondContact O-CB 2.95Å; N251-S254 PolarHBondContact O-N 3.3Å; N251-Q255 PolarHBondContact O-N 3.1Å
252	E	63.2	Low	72.4	Confident	130 Å²	130	71 Å²	71	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-54.1	-33.5	178.5	-76.9	-172.1	-138.9	0	0	113.3	R250 Q255 R256	R250-E252 PolarHBondContact O-N 3.31Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-R256 WeakPolarHBondContact O-CB 3.24Å; E252-R256 WeakPolarHBondContact O-CG 3.42Å; E252-R256 PolarHBondContact O-N 2.85Å; E252-R256 IonicContact OE2-CZ 3.22Å; E252-R256 IonicContact OE2-NE 2.64Å; E252-R256 IonicContact OE2-NH2 3.94Å; E252-R256 PolarHBondContact OE2-NH2 3.39Å
253	I	61.1	Low	69.3	Low	130 Å²	130	79.2 Å²	79.2	67%	0.667	38%	0.382	S	S	*	.	H	α-helix	trans	-68.2	-43.7	179.5	-60.7	175.5	0	0	0	110.3	N251 R256 I257	N251-I253 PolarHBondContact O-N 3.02Å; N251-I253 VanDerWaalsContact O-N 3.1Å; I253-R256 PolarHBondContact O-N 3.39Å; I253-I257 HydrophobicContact CG2-CD1 4.14Å; I253-I257 WeakPolarHBondContact O-CD1 3.29Å; I253-I257 VanDerWaalsContact O-CG1 3.29Å; I253-I257 WeakPolarHBondContact O-CG1 3.5Å; I253-I257 PolarHBondContact O-N 2.91Å
254	S	63.6	Low	66.2	Low	12 Å²	12	80.1 Å²	80.1	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-46.7	172.4	-44.5	0	0	0	0	110.5	F248 N251 R256 I257 I258	F248-S254 WeakPolarHBondContact O-CB 3.48Å; F248-S254 PolarHBondContact O-OG 3.14Å; N251-S254 WeakPolarHBondContact O-CB 2.95Å; N251-S254 PolarHBondContact O-N 3.3Å; S254-R256 VanDerWaalsContact C-N 3.29Å; S254-R256 PolarHBondContact O-N 3.09Å; S254-I257 CarbonylContact O-C 3.58Å; S254-I257 WeakPolarHBondContact O-CA 3.41Å; S254-I257 WeakPolarHBondContact O-CB 3.44Å; S254-I257 PolarHBondContact O-N 2.74Å; S254-I257 VanDerWaalsContact O-N 3.07Å; S254-I258 WeakPolarHBondContact O-CB 3.22Å; S254-I258 WeakPolarHBondContact O-CD1 3.2Å; S254-I258 WeakPolarHBondContact O-CG1 3.34Å; S254-I258 PolarHBondContact O-N 2.68Å
255	Q	64.9	Low	63.2	Low	68 Å²	68	85 Å²	85	32%	0.318	42%	0.422	S	S	.	.	H	α-helix	trans	-59.9	-36.1	177.3	-75.3	-70.3	-22.4	0	0	112.2	Y249 N251 E252 I258 N259	Y249-Q255 PolarHBondContact O-NE2 3.35Å; N251-Q255 PolarHBondContact O-N 3.1Å; E252-Q255 PolarHBondContact O-N 3.43Å; Q255-I258 CarbonylContact O-C 3.39Å; Q255-I258 PolarHBondContact O-N 3.35Å; Q255-N259 WeakPolarHBondContact O-CB 3.46Å; Q255-N259 PolarHBondContact O-N 3.02Å; Q255-N259 PolarHBondContact O-ND2 2.87Å; Q255-N259 PolarHBondContact OE1-ND2 3.25Å
256	R	58.7	Low	60.2	Low	142 Å²	142	89.2 Å²	89.2	54%	0.536	45%	0.448	S	S	.	.	H	α-helix	trans	-69	-40.5	172	-70.3	168.7	-156.5	-144.8	8.8	112	E252 I253 S254 I258 N259 E260	E252-R256 WeakPolarHBondContact O-CB 3.24Å; E252-R256 WeakPolarHBondContact O-CG 3.42Å; E252-R256 PolarHBondContact O-N 2.85Å; E252-R256 IonicContact OE2-CZ 3.22Å; E252-R256 IonicContact OE2-NE 2.64Å; E252-R256 IonicContact OE2-NH2 3.94Å; E252-R256 PolarHBondContact OE2-NH2 3.39Å; I253-R256 PolarHBondContact O-N 3.39Å; S254-R256 VanDerWaalsContact C-N 3.29Å; S254-R256 PolarHBondContact O-N 3.09Å; R256-I258 PolarHBondContact O-N 3.12Å; R256-N259 PolarHBondContact O-N 3.47Å; R256-E260 HydrophobicContact CB-CG 4.15Å; R256-E260 WeakPolarHBondContact O-CB 3.31Å; R256-E260 VanDerWaalsContact O-CG 3.28Å; R256-E260 WeakPolarHBondContact O-CG 3.32Å; R256-E260 PolarHBondContact O-N 3.21Å
257	I	57.4	Low	57.1	Low	93 Å²	93	94 Å²	94	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-24.1	171.9	-66.4	163	0	0	0	111.8	I59 I253 S254	I59-I257 WeakPolarHBondContact CD1-O 3.23Å; I253-I257 HydrophobicContact CG2-CD1 4.14Å; I253-I257 WeakPolarHBondContact O-CD1 3.29Å; I253-I257 VanDerWaalsContact O-CG1 3.29Å; I253-I257 WeakPolarHBondContact O-CG1 3.5Å; I253-I257 PolarHBondContact O-N 2.91Å; S254-I257 CarbonylContact O-C 3.58Å; S254-I257 WeakPolarHBondContact O-CA 3.41Å; S254-I257 WeakPolarHBondContact O-CB 3.44Å; S254-I257 PolarHBondContact O-N 2.74Å; S254-I257 VanDerWaalsContact O-N 3.07Å
258	I	58.4	Low	54.1	Low	15 Å²	15	95.4 Å²	95.4	8%	0.077	49%	0.485	C	S	.	.	H	α-helix	trans	-94.2	-26.5	-179.9	-65.8	162.2	0	0	0	112.9	P55 I59 S254 Q255 R256	P55-I258 HydrophobicContact CB-CG2 4.28Å; P55-I258 HydrophobicContact CG-CD1 4.07Å; P55-I258 HydrophobicContact CG-CG2 3.89Å; I59-I258 WeakPolarHBondContact CD1-O 3.24Å; S254-I258 WeakPolarHBondContact O-CB 3.22Å; S254-I258 WeakPolarHBondContact O-CD1 3.2Å; S254-I258 WeakPolarHBondContact O-CG1 3.34Å; S254-I258 PolarHBondContact O-N 2.68Å; Q255-I258 CarbonylContact O-C 3.39Å; Q255-I258 PolarHBondContact O-N 3.35Å; R256-I258 PolarHBondContact O-N 3.12Å
259	N	50.5	Low	51.1	Low	104 Å²	104	100.8 Å²	100.8	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-119.2	-8.6	-170.5	-58.6	-35.5	0	0	0	114.5	Q255 R256 P261	Q255-N259 WeakPolarHBondContact O-CB 3.46Å; Q255-N259 PolarHBondContact O-N 3.02Å; Q255-N259 PolarHBondContact O-ND2 2.87Å; Q255-N259 PolarHBondContact OE1-ND2 3.25Å; R256-N259 PolarHBondContact O-N 3.47Å; N259-P261 WeakPolarHBondContact O-CD 3.28Å
260	E	49.5	Very low	48.1	Very low	118 Å²	118	105.6 Å²	105.6	55%	0.551	55%	0.55	S	S	*	.			trans	-89.5	95.6	167.9	-63.2	-103.5	150.7	0	0	108.5	R256 H262	R256-E260 HydrophobicContact CB-CG 4.15Å; R256-E260 WeakPolarHBondContact O-CB 3.31Å; R256-E260 VanDerWaalsContact O-CG 3.28Å; R256-E260 WeakPolarHBondContact O-CG 3.32Å; R256-E260 PolarHBondContact O-N 3.21Å; E260-H262 PolarHBondContact O-N 2.79Å; E260-H262 VanDerWaalsContact O-N 3.12Å
261	P	36.2	Very low	45.2	Very low	83 Å²	83	106.7 Å²	106.7	54%	0.539	57%	0.572	S	S	.	*			trans	-59.7	119.1	150.9	28.9	-31.1	0	0	0	105.4	N259 Q263	N259-P261 WeakPolarHBondContact O-CD 3.28Å; P261-Q263 PolarHBondContact O-N 3.13Å
262	H	43.2	Very low	42.7	Very low	135 Å²	135	107 Å²	107	63%	0.625	58%	0.581	S	S	*	*			trans	-64.5	88.1	166.7	-84.9	-43.7	0	0	0	107.8	E260 S264	E260-H262 PolarHBondContact O-N 2.79Å; E260-H262 VanDerWaalsContact O-N 3.12Å; H262-S264 PolarHBondContact O-N 3.29Å
263	Q	32.2	Very low	41	Very low	172 Å²	172	108.2 Å²	108.2	80%	0.804	59%	0.592	S	S	*	*			trans	-47.5	128.3	160.6	-74.8	-170.6	-9.4	0	0	106.3	P261 I265	P261-Q263 PolarHBondContact O-N 3.13Å; Q263-I265 PolarHBondContact O-N 3.14Å; Q263-I265 VanDerWaalsContact O-N 3.13Å
264	S	29.1	Very low	39.5	Very low	93 Å²	93	107.3 Å²	107.3	65%	0.65	60%	0.598	S	S	*	*			trans	-49	122.6	-177.3	49.5	0	0	0	0	109.8	H262 V266	H262-S264 PolarHBondContact O-N 3.29Å; S264-V266 PolarHBondContact O-N 2.83Å
265	I	31.6	Very low	37.8	Very low	153 Å²	153	111.9 Å²	111.9	79%	0.785	64%	0.636	S	S	*	*			trans	-72.7	66	159.6	-54.1	-179	0	0	0	107.3	Q263 D267	Q263-I265 PolarHBondContact O-N 3.14Å; Q263-I265 VanDerWaalsContact O-N 3.13Å; I265-D267 HydrophobicContact CG2-CB 4.27Å
266	V	30.3	Very low	36	Very low	94 Å²	94	114.6 Å²	114.6	57%	0.57	66%	0.657	S	S	*	*			trans	-99.2	55.3	155.6	178.4	0	0	0	0	104.2	S264 T268	S264-V266 PolarHBondContact O-N 2.83Å; V266-T268 HydrophobicContact CG1-CG2 3.7Å; V266-T268 PolarHBondContact O-N 2.86Å; V266-T268 PolarHBondContact O-OG1 3.31Å
267	D	29.3	Very low	34.5	Very low	114 Å²	114	115.6 Å²	115.6	61%	0.61	67%	0.668	S	S	*	*			trans	-71.2	59.6	161.7	-85	-45.4	0	0	0	108.6	I265 N269	I265-D267 HydrophobicContact CG2-CB 4.27Å; D267-N269 PolarHBondContact O-N 3.01Å
268	T	29.5	Very low	32.9	Very low	114 Å²	114	116.9 Å²	116.9	70%	0.699	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	42.9	169.6	48.7	0	0	0	0	110.5	V266	V266-T268 HydrophobicContact CG1-CG2 3.7Å; V266-T268 PolarHBondContact O-N 2.86Å; V266-T268 PolarHBondContact O-OG1 3.31Å
269	N	28.7	Very low	31.4	Very low	151 Å²	151	121 Å²	121	81%	0.807	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	18.7	-171.8	-84.7	-42.5	0	0	0	112.4	D267	D267-N269 PolarHBondContact O-N 3.01Å
270	S	27.6	Very low	30.1	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	71%	0.711	S	S	*	*	S	Bend	trans	-143.7	19.5	175.5	64.1	0	0	0	0	116.6
271	C	25.4	Very low	28.9	Very low	128 Å²	128	123.9 Å²	123.9	87%	0.865	72%	0.717	S	S	*	*			trans	-151.5	97	162.8	-134.9	0	0	0	0	113.2
272	S	26.4	Very low	28.5	Very low	95 Å²	95	125.2 Å²	125.2	66%	0.664	72%	0.724	S	S	*	*			trans	-67.1	156.3	156.4	45.8	0	0	0	0	110.3
273	N	28.4	Very low	27.7	Very low	156 Å²	156	126.5 Å²	126.5	83%	0.834	74%	0.736	S	S	*	*			trans	73.3	70.2	170.5	-46.2	-34.8	0	0	0	117.8
274	S	29.5	Very low	27.5	Very low	111 Å²	111	122.3 Å²	122.3	78%	0.776	73%	0.726	S	S	*	*			trans	-164.5	132.3	134.5	-169.5	0	0	0	0	111.3	V276	S274-V276 PolarHBondContact O-N 2.86Å
275	A	26.3	Very low	27.5	Very low	107 Å²	107	124 Å²	124	88%	0.884	74%	0.737	S	S	*	*			trans	-80	100.3	-177.7	0	0	0	0	0	111.9
276	V	27.7	Very low	27.2	Very low	125 Å²	125	124.9 Å²	124.9	76%	0.758	74%	0.742	S	S	*	*			trans	-133.5	106.3	164.9	-175.8	0	0	0	0	108.4	S274	S274-V276 PolarHBondContact O-N 2.86Å
277	Q	26.7	Very low	27.2	Very low	164 Å²	164	126.1 Å²	126.1	77%	0.766	75%	0.746	S	S	*	*			trans	-71.7	137.6	175.3	-70.5	-175	-18.2	0	0	110.7	I279	Q277-I279 PolarHBondContact O-N 3.12Å
278	P	25	Very low	27.3	Very low	119 Å²	119	128 Å²	128	77%	0.773	75%	0.749	S	S	*	*			trans	-70.2	95.9	159.2	30	-30.6	0	0	0	107.8	C280	P278-C280 PolarHBondContact O-N 2.71Å
279	I	25.9	Very low	27.2	Very low	101 Å²	101	128.1 Å²	128.1	52%	0.518	75%	0.749	S	S	.	*			trans	-64.1	105.8	-175.7	-56.5	174.5	0	0	0	109.3	Q277 Y281	Q277-I279 PolarHBondContact O-N 3.12Å; I279-Y281 HydrophobicContact CB-CD2 4.21Å; I279-Y281 HydrophobicContact CB-CE2 3.77Å; I279-Y281 HydrophobicContact CG2-CD1 4.04Å; I279-Y281 HydrophobicContact CG2-CD2 3.88Å; I279-Y281 HydrophobicContact CG2-CE1 3.77Å; I279-Y281 HydrophobicContact CG2-CE2 3.61Å; I279-Y281 HydrophobicContact CG2-CG 4.09Å; I279-Y281 WeakPolarHBondContact O-CD2 3.41Å; I279-Y281 PolarHBondContact O-N 3.19Å; I279-Y281 VanDerWaalsContact O-N 3.08Å
280	C	24.4	Very low	27.2	Very low	108 Å²	108	129.1 Å²	129.1	73%	0.73	75%	0.749	S	S	*	*			trans	-71.6	98.2	170	-65.3	0	0	0	0	108	P278 T282	P278-C280 PolarHBondContact O-N 2.71Å; C280-T282 PolarHBondContact O-N 2.8Å
281	Y	24.6	Very low	27.2	Very low	175 Å²	175	129.7 Å²	129.7	69%	0.686	75%	0.753	S	S	*	*			trans	-76.4	68.2	178.7	-76.9	-74.9	0	0	0	112	I279 N283	I279-Y281 HydrophobicContact CB-CD2 4.21Å; I279-Y281 HydrophobicContact CB-CE2 3.77Å; I279-Y281 HydrophobicContact CG2-CD1 4.04Å; I279-Y281 HydrophobicContact CG2-CD2 3.88Å; I279-Y281 HydrophobicContact CG2-CE1 3.77Å; I279-Y281 HydrophobicContact CG2-CE2 3.61Å; I279-Y281 HydrophobicContact CG2-CG 4.09Å; I279-Y281 WeakPolarHBondContact O-CD2 3.41Å; I279-Y281 PolarHBondContact O-N 3.19Å; I279-Y281 VanDerWaalsContact O-N 3.08Å; Y281-N283 PolarHBondContact O-N 2.6Å; Y281-N283 VanDerWaalsContact O-N 3.16Å
282	T	27.5	Very low	27.5	Very low	112 Å²	112	128.6 Å²	128.6	69%	0.687	74%	0.744	S	S	*	*			trans	-66.3	103.6	156.8	39.8	0	0	0	0	108.3	C280 S284	C280-T282 PolarHBondContact O-N 2.8Å; T282-S284 PolarHBondContact O-N 3.36Å
283	N	25.3	Very low	27.5	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	75%	0.75	S	S	*	*			trans	-74.9	71.9	177.3	-79	-36.9	0	0	0	111	Y281	Y281-N283 PolarHBondContact O-N 2.6Å; Y281-N283 VanDerWaalsContact O-N 3.16Å
284	S	28.3	Very low	27.3	Very low	85 Å²	85	132.5 Å²	132.5	59%	0.594	75%	0.748	S	S	*	*			trans	-126.7	135.6	174.4	52.4	0	0	0	0	110.3	T282	T282-S284 PolarHBondContact O-N 3.36Å
285	S	28.9	Very low	27.3	Very low	127 Å²	127	130.6 Å²	130.6	89%	0.888	75%	0.746	S	S	*	*			trans	62.4	72.7	171.5	-57.1	0	0	0	0	116.5
286	L	25.9	Very low	27.3	Very low	172 Å²	172	132.7 Å²	132.7	90%	0.901	74%	0.743	S	S	*	*			trans	-109.5	83	153	-153.9	175.8	0	0	0	108.8
287	D	29.7	Very low	27.2	Very low	120 Å²	120	134.3 Å²	134.3	64%	0.642	74%	0.742	S	S	*	*			trans	-145	122.1	168.4	-145.5	27.7	0	0	0	113.4
288	K	31.4	Very low	27.3	Very low	154 Å²	154	132.5 Å²	132.5	67%	0.67	74%	0.737	S	S	*	*			trans	59.2	93.4	153.3	-67.7	173.4	-169.3	76.1	0	120.7
289	T	27.2	Very low	27.5	Very low	116 Å²	116	133.7 Å²	133.7	71%	0.712	74%	0.737	S	S	*	*				61.8	130	117.4	52.5	0	0	0	0	122.5
290	E	29	Very low	27.6	Very low	172 Å²	172	133.8 Å²	133.8	80%	0.804	75%	0.746	S	S	*	*			trans	86.1	95.3	136	-73.6	170	-151.5	0	0	121.1
291	S	28.2	Very low	28.1	Very low	115 Å²	115	133.2 Å²	133.2	80%	0.804	74%	0.741	S	S	*	*			trans	92.8	143.6	134.9	77.2	0	0	0	0	118.9
292	P	31.4	Very low	28.3	Very low	105 Å²	105	134.1 Å²	134.1	68%	0.682	75%	0.749	S	S	*	*			trans	-92.8	173.3	178.8	39.3	-35.7	0	0	0	111.5
293	F	25.6	Very low	28.3	Very low	179 Å²	179	132.9 Å²	132.9	79%	0.785	75%	0.745	S	S	*	*				-178.8	130.1	120.1	-111.5	-89.6	0	0	0	111.5
294	I	25.2	Very low	28.6	Very low	154 Å²	154	132.4 Å²	132.4	79%	0.79	74%	0.742	S	S	*	*			trans	23.8	125.6	146.3	-56.5	-179.9	0	0	0	119.2
295	G	28.5	Very low	28.5	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	75%	0.753	S	S	*	*			trans	-175.1	89.4	162.7	0	0	0	0	0	113.1
296	N	26.3	Very low	28.7	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	75%	0.747	S	S	*	*			trans	-75.4	152.2	166.4	-63.8	-16.4	0	0	0	109.6
297	E	27.3	Very low	28.8	Very low	159 Å²	159	135 Å²	135	74%	0.743	73%	0.732	S	S	*	*				166.4	147.6	102.5	-84	-149.1	150.2	0	0	112.8
298	L	27.3	Very low	28.8	Very low	126 Å²	126	137.4 Å²	137.4	66%	0.66	74%	0.739	S	S	*	*			trans	38.6	137.6	143.2	-79.6	59.7	0	0	0	120
299	N	30.1	Very low	28.7	Very low	144 Å²	144	135.5 Å²	135.5	77%	0.77	74%	0.74	S	S	*	*			cis	-159.9	161.5	29.9	-108.7	-37.2	0	0	0	112.2
300	S	28.4	Very low	28.8	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	74%	0.74	S	S	*	*			trans	-92.3	176.3	163.9	64.8	0	0	0	0	111.3
301	P	33.9	Very low	28.9	Very low	97 Å²	97	133.6 Å²	133.6	63%	0.63	74%	0.735	S	S	*	*				-157.9	157.5	90	40.6	-21.4	0	0	0	118.7
302	K	29.8	Very low	29	Very low	193 Å²	193	133.2 Å²	133.2	84%	0.839	73%	0.733	S	S	*	*			trans	68.5	159.1	151	-67.6	156	-171.4	174.3	0	118.4
303	S	27.4	Very low	29	Very low	86 Å²	86	134.5 Å²	134.5	60%	0.601	74%	0.738	S	S	*	*			cis	-179.8	142	-26.5	59.6	0	0	0	0	107.9
304	N	30.5	Very low	29.2	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	74%	0.739	S	S	*	*				-176.7	166.7	68.3	-100.3	-38.7	0	0	0	113.4
305	Y	26.6	Very low	29.4	Very low	206 Å²	206	132.5 Å²	132.5	81%	0.808	74%	0.738	S	S	*	*			trans	-94.7	-175.1	173.8	-79.9	-83	0	0	0	111.3	I307	Y305-I307 HydrophobicContact CD1-CD1 4.4Å; Y305-I307 HydrophobicContact CD1-CG1 4.26Å; Y305-I307 HydrophobicContact CG-CD1 4.46Å
306	P	33.1	Very low	29.3	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	74%	0.744	S	S	*	*			cis	-133.4	159.7	30.1	30.1	-4.8	0	0	0	117.8
307	I	27.5	Very low	29.3	Very low	113 Å²	113	132.9 Å²	132.9	58%	0.579	74%	0.74	S	S	*	*				79.8	115.5	54	-50.1	155.1	0	0	0	115.7	Y305 V309	Y305-I307 HydrophobicContact CD1-CD1 4.4Å; Y305-I307 HydrophobicContact CD1-CG1 4.26Å; Y305-I307 HydrophobicContact CG-CD1 4.46Å; I307-V309 HydrophobicContact CG2-CG2 4.36Å
308	H	30.2	Very low	29.3	Very low	169 Å²	169	132 Å²	132	78%	0.782	75%	0.745	S	S	*	*				169	127.1	126.5	-97.2	-82.7	0	0	0	108.9
309	V	28.5	Very low	29.2	Very low	114 Å²	114	131.2 Å²	131.2	69%	0.691	75%	0.746	S	S	*	*			cis	72.5	139.2	47	-172.4	0	0	0	0	111.1	I307	I307-V309 HydrophobicContact CG2-CG2 4.36Å
310	T	29.2	Very low	29.2	Very low	116 Å²	116	131.4 Å²	131.4	71%	0.712	75%	0.746	S	S	*	*			cis	-95.5	-156.3	13	55.9	0	0	0	0	113.3
311	D	32.7	Very low	29.1	Very low	133 Å²	133	134 Å²	134	71%	0.711	75%	0.747	S	S	*	*			cis	-154.6	-170.1	8.5	-137	-57.5	0	0	0	113.8
312	S	29.9	Very low	28.8	Very low	107 Å²	107	135 Å²	135	75%	0.748	75%	0.746	S	S	*	*			trans	-159.5	-167.2	-169.8	-75.8	0	0	0	0	116.2
313	V	30.6	Very low	28.7	Very low	131 Å²	131	131.4 Å²	131.4	79%	0.794	74%	0.736	S	S	*	*			trans	100.7	133	168.8	-177.2	0	0	0	0	116.2
314	Q	29.2	Very low	28.8	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	75%	0.75	S	S	*	*			cis	-158.8	161.6	-27.7	-107.8	-171.5	-2.5	0	0	108.5
315	P	29.6	Very low	28.5	Very low	118 Å²	118	133 Å²	133	77%	0.766	75%	0.745	S	S	*	*			trans	-97	158.8	-179.5	37.8	-34.2	0	0	0	114.6
316	V	27.9	Very low	28.5	Very low	143 Å²	143	132.4 Å²	132.4	87%	0.867	75%	0.747	S	S	*	*			trans	-134.1	138.9	166.1	178.6	0	0	0	0	109.2
317	A	24.7	Very low	28.1	Very low	88 Å²	88	135.2 Å²	135.2	73%	0.727	75%	0.747	S	S	*	*			trans	-112.2	148.6	176.6	0	0	0	0	0	111.4
318	V	27.6	Very low	28.1	Very low	140 Å²	140	137.8 Å²	137.8	85%	0.848	76%	0.762	S	S	*	*			trans	-133.3	137.5	161	179.7	0	0	0	0	107.3
319	V	25.4	Very low	28	Very low	110 Å²	110	140 Å²	140	67%	0.667	76%	0.763	S	S	*	*			trans	-109.9	147.1	178.6	175	0	0	0	0	108.2
320	D	30	Very low	27.9	Very low	147 Å²	147	141.8 Å²	141.8	79%	0.786	77%	0.769	S	S	*	*			trans	-179.8	114.1	141.4	-86.9	-15.6	0	0	0	106.8
321	E	27.3	Very low	27.9	Very low	156 Å²	156	142 Å²	142	73%	0.729	77%	0.772	S	S	*	*				77	133.7	76	-76.9	-143.7	172.3	0	0	114.3
322	I	27.7	Very low	27.7	Very low	119 Å²	119	146.2 Å²	146.2	61%	0.61	78%	0.778	S	S	*	*			cis	-156.6	152.4	-16.6	-135.1	177	0	0	0	111.4
323	N	27.1	Very low	27.8	Very low	118 Å²	118	146 Å²	146	63%	0.631	77%	0.774	S	S	*	*			trans	26.9	128	158.6	-56.5	-34.9	0	0	0	122.2
324	N	28.8	Very low	27.8	Very low	166 Å²	166	147.1 Å²	147.1	89%	0.888	78%	0.775	S	S	*	*				-162.5	142.5	105.3	-112.3	-74.8	0	0	0	114.5
325	C	24.3	Very low	27.9	Very low	104 Å²	104	145.8 Å²	145.8	70%	0.703	76%	0.764	S	S	*	*			trans	-96.5	154.8	-169.4	-52.8	0	0	0	0	114
326	K	26.1	Very low	27.9	Very low	195 Å²	195	144.1 Å²	144.1	85%	0.848	76%	0.755	S	S	*	*			trans	-171.3	117.5	136.8	-104	144.1	-170.3	168.5	0	114.7
327	F	25.7	Very low	28.1	Very low	179 Å²	179	141.3 Å²	141.3	79%	0.785	74%	0.741	S	S	*	*			trans	38.8	92.7	152.8	-71.7	-88.7	0	0	0	119.4	R329	F327-R329 PolarHBondContact O-N 3.26Å
328	N	27.3	Very low	28.7	Very low	166 Å²	166	140.8 Å²	140.8	89%	0.888	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-72.3	119.3	145	-103.7	-11.5	0	0	0	108.7
329	R	27.3	Very low	28.8	Very low	217 Å²	217	137.5 Å²	137.5	82%	0.819	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-103.5	118.8	168.8	-77.7	-175.6	172.3	-174.3	-2.3	108.6	F327 P331	F327-R329 PolarHBondContact O-N 3.26Å; R329-P331 WeakPolarHBondContact O-CD 3.3Å
330	N	27.4	Very low	29.2	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-55.7	122.4	178.1	-63.3	2.4	0	0	0	110.9	R332	N330-R332 PolarHBondContact O-N 2.92Å
331	P	29.9	Very low	29.2	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-71.4	119.9	163.5	29.8	-30.5	0	0	0	108.1	R329	R329-P331 WeakPolarHBondContact O-CD 3.3Å
332	R	28.9	Very low	29.4	Very low	221 Å²	221	136.4 Å²	136.4	83%	0.834	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.2	130.1	162.7	-77.5	-173.8	172.1	-154.7	-1.9	108	N330 L334	N330-R332 PolarHBondContact O-N 2.92Å; R332-L334 PolarHBondContact O-N 2.91Å; R332-L334 VanDerWaalsContact O-N 3.13Å
333	P	31.6	Very low	29.6	Very low	102 Å²	102	136.2 Å²	136.2	66%	0.662	70%	0.695	S	S	*	*			trans	-65.4	114.1	168.4	27	-32.2	0	0	0	108.7	Y335	P333-Y335 PolarHBondContact O-N 3.09Å
334	L	29.1	Very low	29.6	Very low	156 Å²	156	133.4 Å²	133.4	82%	0.817	69%	0.694	S	S	*	*			trans	-84.4	92.6	174.9	-72.3	175	0	0	0	109.3	R332 S336	R332-L334 PolarHBondContact O-N 2.91Å; R332-L334 VanDerWaalsContact O-N 3.13Å; L334-S336 VanDerWaalsContact C-N 3.35Å; L334-S336 PolarHBondContact O-N 3.17Å
335	Y	31.6	Very low	29.5	Very low	146 Å²	146	136.6 Å²	136.6	57%	0.573	70%	0.695	S	S	*	*			trans	-57.3	95.6	163.6	-80.9	-101.3	0	0	0	109.3	D62 P333	D62-Y335 HydrophobicContact CB-CE1 4.18Å; P333-Y335 PolarHBondContact O-N 3.09Å
336	S	30.7	Very low	29.6	Very low	83 Å²	83	140.1 Å²	140.1	58%	0.58	71%	0.706	S	S	*	*			trans	-155.9	3.6	-175.4	-165.9	0	0	0	0	114.9	L334	L334-S336 VanDerWaalsContact C-N 3.35Å; L334-S336 PolarHBondContact O-N 3.17Å
337	S	32.2	Very low	29.8	Very low	83 Å²	83	137.8 Å²	137.8	58%	0.58	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	0.4	-171.2	41.9	0	0	0	0	115.6
338	L	37	Very low	29.9	Very low	78 Å²	78	138.8 Å²	138.8	41%	0.408	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	2.5	-179.2	-78.5	170.1	0	0	0	114.7	T65	T65-L338 HydrophobicContact CG2-CD1 3.75Å
339	I	30.3	Very low	29.9	Very low	70 Å²	70	136 Å²	136	36%	0.359	71%	0.705	S	S	.	*			trans	-133.6	88	-173.3	-50	-179.7	0	0	0	111.2	L48 F341	L48-I339 HydrophobicContact CD1-CD1 4.17Å; I339-F341 HydrophobicContact CG2-CD2 3.71Å; I339-F341 HydrophobicContact CG2-CE2 3.43Å; I339-F341 VanDerWaalsContact CG2-CE2 3.43Å; I339-F341 HydrophobicContact CG2-CZ 4.26Å
340	E	32.2	Very low	30	Very low	127 Å²	127	131.3 Å²	131.3	59%	0.593	70%	0.703	S	S	*	*			trans	-95.7	113	160.6	-75.1	-176	145.9	0	0	109.9	K51	K51-E340 IonicContact NZ-OE2 3Å; K51-E340 PolarHBondContact NZ-OE2 2.79Å
341	F	31.4	Very low	30	Very low	124 Å²	124	130.6 Å²	130.6	54%	0.544	70%	0.704	S	S	.	*			trans	-85.9	116.4	164.1	-76.3	-84.1	0	0	0	109.3	I339 P343	I339-F341 HydrophobicContact CG2-CD2 3.71Å; I339-F341 HydrophobicContact CG2-CE2 3.43Å; I339-F341 VanDerWaalsContact CG2-CE2 3.43Å; I339-F341 HydrophobicContact CG2-CZ 4.26Å; F341-P343 WeakPolarHBondContact O-CD 3.33Å
342	N	30.5	Very low	29.9	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	71%	0.705	S	S	*	*			trans	-92.6	104.8	163	-96.9	2.8	0	0	0	109.3
343	P	32	Very low	29.7	Very low	114 Å²	114	125 Å²	125	74%	0.74	70%	0.699	S	S	*	*			trans	-63.2	147.5	144.5	31.7	-32.8	0	0	0	108.4	F341	F341-P343 WeakPolarHBondContact O-CD 3.33Å
344	G	27.2	Very low	29.6	Very low	60 Å²	60	127.4 Å²	127.4	62%	0.619	71%	0.706	S	S	*	*	S	Bend	trans	-69.8	149.9	-175.9	0	0	0	0	0	113.8
345	Y	26.2	Very low	29.5	Very low	233 Å²	233	127 Å²	127	91%	0.914	70%	0.703	S	S	*	*			trans	57.5	91.8	154.2	-49.1	-75	0	0	0	118.3
346	L	27.7	Very low	29.3	Very low	177 Å²	177	126.5 Å²	126.5	93%	0.927	71%	0.71	S	S	*	*			trans	-129.6	125.9	147	-82.9	176.5	0	0	0	110.3
347	V	29.3	Very low	29	Very low	146 Å²	146	128.2 Å²	128.2	89%	0.885	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-79	137.3	-179.2	178	0	0	0	0	109.9
348	K	27.9	Very low	28.8	Very low	200 Å²	200	131.6 Å²	131.6	87%	0.87	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-87.7	123.9	174.7	-67.4	176.3	-179.3	171.3	0	110.1
349	S	27.2	Very low	28.4	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-94.4	142.4	166.3	-168.2	0	0	0	0	110.1
350	P	29.3	Very low	28.2	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-76.3	151.1	177.6	31.5	-35	0	0	0	112.6
351	V	27.2	Very low	28	Very low	137 Å²	137	136.5 Å²	136.5	83%	0.83	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-99.7	122.5	176.1	177.6	0	0	0	0	110
352	P	28.1	Very low	27.9	Very low	123 Å²	123	138.9 Å²	138.9	80%	0.799	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-78.6	139.2	170.5	31.9	-33.1	0	0	0	111.2
353	S	26	Very low	27.7	Very low	100 Å²	100	136.6 Å²	136.6	70%	0.699	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-98.4	140.3	177	56.2	0	0	0	0	112.1
354	N	27.7	Very low	27.6	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	76%	0.759	S	S	*	*			trans	176.2	170.9	134.2	-94.4	-34.7	0	0	0	115.5
355	I	28.3	Very low	27.7	Very low	149 Å²	149	138.6 Å²	138.6	76%	0.764	76%	0.762	S	S	*	*			trans	82.2	82.1	162.5	-62.4	147.8	0	0	0	119.2
356	N	26.1	Very low	27.9	Very low	134 Å²	134	133.2 Å²	133.2	72%	0.717	75%	0.75	S	S	*	*				52.2	110.1	112.5	-59.3	-18.1	0	0	0	124.2
357	T	26	Very low	28	Very low	120 Å²	120	129.8 Å²	129.8	74%	0.736	74%	0.74	S	S	*	*				50.7	137.8	125.1	61.9	0	0	0	0	124.4
358	I	26.7	Very low	28	Very low	154 Å²	154	127.9 Å²	127.9	79%	0.79	73%	0.732	S	S	*	*				177.2	136.6	121.7	-92	156	0	0	0	113.3
359	H	28.4	Very low	28.2	Very low	164 Å²	164	124.5 Å²	124.5	76%	0.759	72%	0.724	S	S	*	*			trans	15.2	160.3	159.3	-73.7	-70.2	0	0	0	124.6
360	D	27.4	Very low	28.3	Very low	126 Å²	126	126.9 Å²	126.9	67%	0.674	72%	0.721	S	S	*	*			cis	-177.9	-173	-20.5	-138.5	-41.5	0	0	0	107.2
361	S	28.5	Very low	28.4	Very low	88 Å²	88	128.9 Å²	128.9	62%	0.615	72%	0.72	S	S	*	*			cis	-159.3	155.8	-7.1	79	0	0	0	0	115.7
362	K	28.8	Very low	28.6	Very low	174 Å²	174	128.7 Å²	128.7	76%	0.757	71%	0.709	S	S	*	*			trans	58.8	141.2	133	-70.5	174.1	-179	174.6	0	128.1
363	C	26.6	Very low	28.8	Very low	91 Å²	91	130.3 Å²	130.3	62%	0.615	71%	0.706	S	S	*	*			trans	55.6	160.6	147.1	-58.3	0	0	0	0	122.4	R463	C363-R463 VanDerWaalsContact C-NH1 3.28Å; C363-R463 VanDerWaalsContact C-NH2 3.34Å; C363-R463 VanDerWaalsContact O-CZ 3.3Å; C363-R463 PolarHBondContact O-NH1 3.08Å; C363-R463 PolarHBondContact O-NH2 3.38Å
364	T	28.4	Very low	29	Very low	104 Å²	104	131.6 Å²	131.6	64%	0.638	70%	0.7	S	S	*	*			cis	-130.2	-146.6	-4.3	-27.7	0	0	0	0	112.5	R463	T364-R463 PolarHBondContact O-NH1 3.16Å
365	T	29.7	Very low	29.2	Very low	112 Å²	112	134.1 Å²	134.1	69%	0.687	70%	0.7	S	S	*	*			trans	-101.9	-143	-167.7	47.5	0	0	0	0	114.5
366	D	30.3	Very low	29.3	Very low	121 Å²	121	133.4 Å²	133.4	65%	0.647	69%	0.693	S	S	*	*				-143.9	-150.7	-94.8	-68.4	-32.2	0	0	0	107.3
367	S	30.4	Very low	29.5	Very low	104 Å²	104	135 Å²	135	73%	0.727	70%	0.696	S	S	*	*			cis	-174.6	170.2	8.4	48	0	0	0	0	112.1
368	C	29.4	Very low	29.9	Very low	106 Å²	106	133.9 Å²	133.9	72%	0.716	69%	0.691	S	S	*	*			trans	71	151.6	161.3	-67.4	0	0	0	0	121
369	D	31.7	Very low	29.9	Very low	129 Å²	129	131.7 Å²	131.7	69%	0.69	69%	0.689	S	S	*	*			cis	-163.8	155.9	-6.2	-105.8	-17.9	0	0	0	117.8
370	F	28.7	Very low	29.9	Very low	159 Å²	159	129 Å²	129	70%	0.697	69%	0.689	S	S	*	*			trans	66.1	147.6	147.6	-89.6	-84.5	0	0	0	130.8
371	H	32.7	Very low	29.9	Very low	160 Å²	160	130.6 Å²	130.6	74%	0.741	69%	0.692	S	S	*	*			trans	74.2	151.1	155.8	-71.1	-47.3	0	0	0	123.5
372	H	31.1	Very low	29.7	Very low	132 Å²	132	135.6 Å²	135.6	61%	0.611	70%	0.699	S	S	*	*			cis	-170.6	173.2	-37.6	-141.3	52.9	0	0	0	114
373	H	32	Very low	29.6	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.727	69%	0.694	S	S	*	*			trans	69.4	154.9	164.7	-69.9	-61	0	0	0	121.5
374	H	30.5	Very low	29.5	Very low	127 Å²	127	136 Å²	136	59%	0.588	70%	0.702	S	S	*	*			cis	-172.6	179.4	-38.4	-133.2	-106.1	0	0	0	112.2
375	Y	31.4	Very low	29.4	Very low	205 Å²	205	136.9 Å²	136.9	80%	0.804	70%	0.702	S	S	*	*			trans	82.4	142.5	167.3	-61.8	-88.7	0	0	0	120.7
376	H	30.6	Very low	29.3	Very low	134 Å²	134	136.8 Å²	136.8	62%	0.62	70%	0.701	S	S	*	*			cis	-172.2	126.2	-33	-123.7	-90.8	0	0	0	112.4
377	H	29.7	Very low	29.3	Very low	167 Å²	167	136.8 Å²	136.8	77%	0.773	70%	0.701	S	S	*	*			trans	32.8	170.5	133.5	-85.8	-104.1	0	0	0	124.7
378	P	34	Very low	29.2	Very low	97 Å²	97	136.1 Å²	136.1	63%	0.63	69%	0.693	S	S	*	*				-149.9	-165.7	-51.8	43	-22.2	0	0	0	116.7
379	S	28.1	Very low	29.3	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	68%	0.676	S	S	*	*			trans	68.6	152.4	159.3	31.8	0	0	0	0	119
380	S	27.8	Very low	29.3	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	66%	0.663	S	S	*	*			cis	-167.9	-180	3.2	47.3	0	0	0	0	109.2
381	H	27.9	Very low	29.3	Very low	160 Å²	160	129.1 Å²	129.1	74%	0.741	66%	0.663	S	S	*	*			cis	-161.4	179.3	-3.7	-127.7	-143.8	0	0	0	113.7
382	Y	24.6	Very low	29.1	Very low	193 Å²	193	127.6 Å²	127.6	76%	0.757	67%	0.67	S	S	*	*			trans	-24.8	155.9	159.1	-68.4	-118.1	0	0	0	118.1
383	C	25.2	Very low	29	Very low	96 Å²	96	127.2 Å²	127.2	65%	0.649	68%	0.682	S	S	*	*			cis	-162.8	167.5	1.7	-123.5	0	0	0	0	114.2
384	F	25.8	Very low	28.7	Very low	178 Å²	178	128.3 Å²	128.3	78%	0.781	69%	0.687	S	S	*	*			trans	-6.7	161.6	148	-72.5	-102.9	0	0	0	120.7
385	D	26.4	Very low	28.6	Very low	122 Å²	122	131.1 Å²	131.1	65%	0.652	70%	0.7	S	S	*	*			cis	-162	167.1	28.8	-136.4	-39.9	0	0	0	116.6
386	T	28	Very low	28.3	Very low	109 Å²	109	126.4 Å²	126.4	67%	0.669	70%	0.696	S	S	*	*			trans	12.6	160.4	149.9	35.5	0	0	0	0	124.5
387	N	29.5	Very low	28.1	Very low	121 Å²	121	130.9 Å²	130.9	65%	0.647	71%	0.709	S	S	*	*			cis	-174.5	178.5	-22	-129.8	16.2	0	0	0	111.9
388	V	28.9	Very low	27.9	Very low	90 Å²	90	130.8 Å²	130.8	55%	0.545	71%	0.709	S	S	.	*			trans	95.8	123.4	136.7	149.6	0	0	0	0	125.4	N591 L592 H593	V388-N591 CarbonylContact C-O 3.6Å; V388-L592 CarbonylContact C-O 3.6Å; V388-L592 WeakPolarHBondContact CA-O 3.42Å; V388-H593 HydrophobicContact CG2-CB 4.42Å
389	N	30.5	Very low	27.9	Very low	69 Å²	69	130.9 Å²	130.9	37%	0.369	71%	0.709	S	S	.	*			trans	47	142.3	153.8	-63.4	54.4	0	0	0	126.8	N590 N591 L592 H593	N389-N590 CarbonylContact C-O 3.58Å; N389-N590 VanDerWaalsContact O-O 3.06Å; N389-N591 VanDerWaalsContact C-C 3.48Å; N389-N591 WeakPolarHBondContact CA-O 3.45Å; N389-N591 VanDerWaalsContact N-C 3.29Å; N389-N591 PolarHBondContact N-O 3.09Å; N389-L592 VanDerWaalsContact N-C 3.32Å; N389-L592 PolarHBondContact N-O 3.3Å; N389-L592 PolarHBondContact OD1-O 3.04Å; N389-L592 VanDerWaalsContact OD1-O 3.05Å; N389-H593 PolarHBondContact ND2-O 3.25Å; N389-H593 WeakPolarHBondContact OD1-CA 3.28Å; N389-H593 PolarHBondContact OD1-N 3.28Å; N389-H593 VanDerWaalsContact OD1-N 3.09Å; N389-H593 PolarHBondContact OD1-O 2.87Å
390	D	31.1	Very low	27.8	Very low	78 Å²	78	132.9 Å²	132.9	42%	0.417	72%	0.717	S	S	.	*			cis	-173.6	174.2	-28.3	-140.5	-24.7	0	0	0	114.7	L592 H593	D390-L592 VanDerWaalsContact CA-N 3.34Å; D390-L592 WeakPolarHBondContact OD1-CA 3.39Å; D390-L592 PolarHBondContact OD1-N 2.97Å; D390-L592 VanDerWaalsContact OD2-CA 3.29Å; D390-L592 WeakPolarHBondContact OD2-CA 3.2Å; D390-H593 PolarHBondContact OD2-N 3.4Å
391	S	29	Very low	27.7	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	71%	0.712	S	S	*	*			trans	84.2	115	147.6	72.4	0	0	0	0	125.8
392	C	28.9	Very low	27.6	Very low	129 Å²	129	131.2 Å²	131.2	87%	0.872	71%	0.714	S	S	*	*			trans	23.8	139.2	135.6	-58.9	0	0	0	0	125.2
393	S	28	Very low	27.6	Very low	124 Å²	124	127.8 Å²	127.8	87%	0.867	72%	0.716	S	S	*	*				-167.3	170	115.4	49.7	0	0	0	0	113.4
394	H	26.3	Very low	27.7	Very low	180 Å²	180	132 Å²	132	83%	0.833	73%	0.728	S	S	*	*			trans	-94.4	154.1	-169.9	-72.8	-110.2	0	0	0	115
395	Q	28.9	Very low	27.8	Very low	185 Å²	185	129 Å²	129	86%	0.864	72%	0.72	S	S	*	*			trans	-155.1	154.5	138.1	-114.1	171.1	37.3	0	0	112.5
396	C	24.2	Very low	28.1	Very low	107 Å²	107	128.7 Å²	128.7	72%	0.723	73%	0.725	S	S	*	*			trans	-114	133.7	-170	-56.8	0	0	0	0	111.9
397	Y	28	Very low	28	Very low	228 Å²	228	132 Å²	132	89%	0.894	73%	0.726	S	S	*	*			trans	-145.7	153.7	164.4	-90.3	-77.1	0	0	0	112.6
398	H	25.4	Very low	27.8	Very low	164 Å²	164	134.5 Å²	134.5	76%	0.759	73%	0.733	S	S	*	*			trans	-153.3	167.9	-170.6	-152.4	-86.5	0	0	0	106.1
399	P	33.2	Very low	27.7	Very low	99 Å²	99	137.2 Å²	137.2	64%	0.643	75%	0.75	S	S	*	*			cis	-108.2	174.5	-31.8	14	8.6	0	0	0	112.5
400	T	26.8	Very low	27.4	Very low	152 Å²	152	145.5 Å²	145.5	93%	0.933	78%	0.776	S	S	*	*				-172.2	163	124.4	17.7	0	0	0	0	110.9
401	A	24.8	Very low	27.2	Very low	76 Å²	76	144.9 Å²	144.9	63%	0.628	79%	0.788	S	S	*	*			trans	-112.4	149	-169.3	0	0	0	0	0	113.7
402	I	25.9	Very low	27.1	Very low	156 Å²	156	147.5 Å²	147.5	80%	0.8	80%	0.8	S	S	*	*			trans	-171.6	129.9	141	-94.2	146.3	0	0	0	108
403	P	25.6	Very low	26.9	Very low	121 Å²	121	147.5 Å²	147.5	79%	0.786	80%	0.802	S	S	*	*			trans	-94.9	138.3	178.6	34.9	-32.1	0	0	0	113
404	M	27.3	Very low	26.9	Very low	185 Å²	185	144.4 Å²	144.4	91%	0.911	79%	0.789	S	S	*	*			trans	-143	138.7	171.2	-88	-70.6	168.1	0	0	111.8
405	N	26.8	Very low	27.1	Very low	114 Å²	114	142 Å²	142	61%	0.61	79%	0.786	S	S	*	*			trans	-116.7	137.8	177.8	-171.6	18.7	0	0	0	106.6
406	P	33.3	Very low	26.9	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	79%	0.785	S	S	*	*				-158	146.5	91.8	38.7	-17.9	0	0	0	119
407	Y	26	Very low	27.1	Very low	180 Å²	180	142.1 Å²	142.1	71%	0.706	77%	0.77	S	S	*	*			trans	24.5	150	134.9	-64.1	-81.1	0	0	0	125.7
408	H	25.2	Very low	27.1	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.796	77%	0.767	S	S	*	*			trans	94.3	95.2	144	-86.6	-57.7	0	0	0	122
409	V	27.4	Very low	27.3	Very low	147 Å²	147	140 Å²	140	89%	0.891	77%	0.771	S	S	*	*			trans	-137	158	135.5	-176.5	0	0	0	0	108.7
410	R	24.3	Very low	27.3	Very low	244 Å²	244	146.3 Å²	146.3	92%	0.921	78%	0.782	S	S	*	*			trans	-89.2	137.9	175.5	-69.2	173.8	170.8	171.8	-4.3	111.6
411	G	25.1	Very low	27.3	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	76%	0.759	S	S	*	*			trans	167.6	123.8	161.7	0	0	0	0	0	113.4
412	T	27.8	Very low	27.5	Very low	155 Å²	155	141.7 Å²	141.7	95%	0.951	76%	0.757	S	S	*	*	S	Bend	trans	51.4	170.9	173.6	58.7	0	0	0	0	117.1
413	S	25.6	Very low	27.6	Very low	129 Å²	129	143.9 Å²	143.9	90%	0.902	76%	0.764	S	S	*	*			trans	-105.1	91.7	-168.1	55.4	0	0	0	0	112
414	G	27	Very low	27.8	Very low	58 Å²	58	143.6 Å²	143.6	60%	0.598	76%	0.76	S	S	*	*			trans	-112.1	143.7	167.3	0	0	0	0	0	111.3
415	V	30.6	Very low	27.7	Very low	129 Å²	129	140.7 Å²	140.7	78%	0.782	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-97.4	120	174.7	179.2	0	0	0	0	108.2
416	F	25.6	Very low	27.9	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.842	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-88.2	132.9	178.7	-73.9	-93.4	0	0	0	111
417	Y	28	Very low	27.6	Very low	104 Å²	104	143 Å²	143	41%	0.408	76%	0.763	S	S	.	*	P	Polyproline II helix	trans	-60.3	145.3	168.2	-83.3	-89.8	0	0	0	111.3	E63 Y67	E63-Y417 WeakPolarHBondContact OE1-CE2 3.47Å; Y67-Y417 WeakPolarHBondContact CB-OH 3.3Å; Y67-Y417 AromaticContact CD1-CE1 3.85Å; Y67-Y417 HydrophobicContact CD1-CE1 3.85Å; Y67-Y417 VanDerWaalsContact CD1-OH 3.28Å; Y67-Y417 WeakPolarHBondContact CD1-OH 3.25Å; Y67-Y417 HydrophobicContact CD2-CE1 4.42Å; Y67-Y417 AromaticContact CE1-CE1 3.81Å; Y67-Y417 HydrophobicContact CE1-CE1 3.81Å; Y67-Y417 HydrophobicContact CE2-CE1 4.4Å; Y67-Y417 HydrophobicContact CG-CE1 4.16Å
418	R	28.3	Very low	27.8	Very low	218 Å²	218	142.4 Å²	142.4	82%	0.823	77%	0.771	S	S	*	*			trans	-131.3	116.2	172.9	-165.6	177.7	-168.1	175.5	2.7	107.7
419	P	29.8	Very low	27.9	Very low	129 Å²	129	137.8 Å²	137.8	84%	0.838	77%	0.769	S	S	*	*			trans	-55.6	145.8	-180	-26.7	35	0	0	0	112.3
420	R	31.7	Very low	28	Very low	231 Å²	231	138.4 Å²	138.4	87%	0.872	77%	0.768	S	S	*	*			trans	-134	99.3	178.7	-82.5	-178.7	163.1	172.8	-5.2	109.6
421	G	28.1	Very low	28.2	Very low	45 Å²	45	135.7 Å²	135.7	46%	0.464	77%	0.765	S	S	.	*			trans	163.3	53.6	177.3	0	0	0	0	0	115.2
422	C	29.3	Very low	28.4	Very low	87 Å²	87	137.2 Å²	137.2	59%	0.588	76%	0.764	S	S	*	*			trans	-163.8	99.6	165.3	-116.6	0	0	0	0	110.4	T424	C422-T424 PolarHBondContact O-N 3.19Å
423	E	26.5	Very low	28.3	Very low	201 Å²	201	138.4 Å²	138.4	94%	0.939	76%	0.758	S	S	*	*			trans	-89.5	84.1	172	-70	-175.2	151.1	0	0	109.6	V425	E423-V425 PolarHBondContact O-N 3.15Å
424	T	30.7	Very low	28.4	Very low	116 Å²	116	139.9 Å²	139.9	71%	0.712	75%	0.754	S	S	*	*			trans	-83.2	110.3	173	54	0	0	0	0	110.2	C422 T426	C422-T424 PolarHBondContact O-N 3.19Å; T424-T426 PolarHBondContact O-N 3.46Å
425	V	25.8	Very low	28.3	Very low	123 Å²	123	147 Å²	147	75%	0.745	76%	0.764	S	S	*	*			trans	-63.1	120	178.3	177.8	0	0	0	0	111.3	E423	E423-V425 PolarHBondContact O-N 3.15Å
426	T	30.8	Very low	28.1	Very low	125 Å²	125	144.7 Å²	144.7	77%	0.767	76%	0.758	S	S	*	*			trans	-145	92	162.4	57.1	0	0	0	0	110.6	T424 I428	T424-T426 PolarHBondContact O-N 3.46Å; T426-I428 PolarHBondContact O-N 3.2Å
427	D	25.9	Very low	28	Very low	152 Å²	152	142.4 Å²	142.4	81%	0.813	76%	0.755	S	S	*	*			trans	-72.6	110.9	174.4	-65.6	-58.5	0	0	0	111.9
428	I	30.1	Very low	27.9	Very low	168 Å²	168	147.7 Å²	147.7	86%	0.862	77%	0.774	S	S	*	*			trans	-141.6	105.2	158.3	-54.1	-178.3	0	0	0	110.9	T426	T426-I428 PolarHBondContact O-N 3.2Å
429	G	28.7	Very low	27.8	Very low	75 Å²	75	148.1 Å²	148.1	77%	0.773	78%	0.776	S	S	*	*			trans	91.9	84.7	144.1	0	0	0	0	0	118
430	D	28.3	Very low	27.6	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	77%	0.774	S	S	*	*			trans	-56.5	139	156.2	-87.1	-56.6	0	0	0	112.2
431	H	29.3	Very low	27.5	Very low	187 Å²	187	145 Å²	145	87%	0.866	77%	0.772	S	S	*	*			trans	-156.6	99.5	153.3	-132.3	-53.5	0	0	0	112.7
432	P	28.3	Very low	27.3	Very low	97 Å²	97	146.9 Å²	146.9	63%	0.63	78%	0.777	S	S	*	*			trans	-80.7	145	179.6	30.5	-33.8	0	0	0	113.4
433	H	26.7	Very low	27.3	Very low	179 Å²	179	148.7 Å²	148.7	83%	0.829	79%	0.788	S	S	*	*			trans	39	126.1	161	-59.6	-69.8	0	0	0	121.4
434	I	26.8	Very low	27.3	Very low	160 Å²	160	146.9 Å²	146.9	82%	0.821	78%	0.777	S	S	*	*			trans	-165.7	127.4	135.2	-104.2	148.9	0	0	0	113.8
435	Y	25.9	Very low	27.2	Very low	209 Å²	209	152.5 Å²	152.5	82%	0.82	79%	0.787	S	S	*	*			trans	45.3	102.1	155	-73.3	-104.6	0	0	0	123.8
436	A	25.5	Very low	27.1	Very low	79 Å²	79	152.4 Å²	152.4	65%	0.653	78%	0.782	S	S	*	*				48.8	132	106.8	0	0	0	0	0	123.3
437	N	24.5	Very low	27.1	Very low	144 Å²	144	155 Å²	155	77%	0.77	79%	0.785	S	S	*	*			trans	63.8	111.7	147.6	-87.1	-41	0	0	0	120.7
438	R	26	Very low	27	Very low	216 Å²	216	151.3 Å²	151.3	82%	0.815	78%	0.775	S	S	*	*				-150.2	134.9	122.6	-109.7	172.2	-159.2	-120.6	-0.7	111.4
439	R	24.6	Very low	26.8	Very low	227 Å²	227	154.3 Å²	154.3	86%	0.857	78%	0.776	S	S	*	*			trans	-93.2	134.8	178	-68.8	174.6	171.6	172.7	-4.3	111.6
440	S	27.3	Very low	26.5	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	78%	0.775	S	S	*	*			trans	-169.7	133.1	157.9	50.7	0	0	0	0	110.8
441	H	28	Very low	26.4	Very low	180 Å²	180	156 Å²	156	83%	0.833	77%	0.765	S	S	*	*			cis	-160.1	163.4	-21	-129.7	79.1	0	0	0	107.3
442	C	25.2	Very low	26.1	Very low	86 Å²	86	153.9 Å²	153.9	58%	0.581	76%	0.757	S	S	*	*			trans	-72	-179.3	-174.8	-54.5	0	0	0	0	113.5	K444	C442-K444 HydrophobicContact CB-CB 3.89Å; C442-K444 HydrophobicContact CB-CD 4.22Å; C442-K444 HydrophobicContact CB-CG 3.91Å
443	P	28.3	Very low	26	Very low	125 Å²	125	156 Å²	156	81%	0.812	76%	0.763	S	S	*	*			cis	-88.8	152.1	36.4	32.6	-36.3	0	0	0	114.2
444	K	26.6	Very low	26	Very low	163 Å²	163	155 Å²	155	71%	0.709	76%	0.764	S	S	*	*			cis	64	98.2	17.7	-82.1	-173.2	173.6	-173.5	0	117	C442	C442-K444 HydrophobicContact CB-CB 3.89Å; C442-K444 HydrophobicContact CB-CD 4.22Å; C442-K444 HydrophobicContact CB-CG 3.91Å
445	Y	28.8	Very low	26.1	Very low	234 Å²	234	151.6 Å²	151.6	92%	0.918	75%	0.753	S	S	*	*			trans	-109.6	135	138.7	-114	-92.1	0	0	0	108.4
446	N	24.5	Very low	26.1	Very low	121 Å²	121	148.4 Å²	148.4	65%	0.647	75%	0.75	S	S	*	*			trans	-164.2	98.3	-171.7	-174.9	76.7	0	0	0	112
447	H	29.8	Very low	26.2	Very low	180 Å²	180	154.1 Å²	154.1	83%	0.833	76%	0.763	S	S	*	*			trans	-137	124.4	165.1	-87.4	-94.8	0	0	0	107.1
448	A	24.2	Very low	26.2	Very low	73 Å²	73	152.8 Å²	152.8	60%	0.603	76%	0.755	S	S	*	*			cis	86.5	84.2	17	0	0	0	0	0	116.9
449	R	24.6	Very low	26.2	Very low	231 Å²	231	151.3 Å²	151.3	87%	0.872	75%	0.754	S	S	*	*			trans	79.7	157.2	133.6	-147.1	-179.9	-166.9	-178	3.4	117.8
450	L	24.4	Very low	26.2	Very low	144 Å²	144	145.4 Å²	145.4	75%	0.754	75%	0.748	S	S	*	*			trans	77.2	146.6	172.9	-45	177.9	0	0	0	114.1
451	I	24.7	Very low	26.3	Very low	127 Å²	127	149.1 Å²	149.1	65%	0.651	75%	0.75	S	S	*	*			cis	-155.2	154.6	-11.1	-122.6	168.8	0	0	0	110.7
452	M	24.1	Very low	26.3	Very low	143 Å²	143	147.6 Å²	147.6	70%	0.704	75%	0.748	S	S	*	*			trans	23.1	136.2	159.8	-58.2	-174.7	-64.4	0	0	123.1
453	N	25.6	Very low	26.3	Very low	141 Å²	141	152 Å²	152	75%	0.754	75%	0.752	S	S	*	*			trans	60.3	131.9	140.9	-51.9	-1.6	0	0	0	118
454	D	27.6	Very low	26.1	Very low	159 Å²	159	156.5 Å²	156.5	85%	0.85	75%	0.753	S	S	*	*				-142.5	147.2	65.5	-121.4	-16.7	0	0	0	114.9
455	P	28.6	Very low	26.1	Very low	89 Å²	89	159.7 Å²	159.7	58%	0.578	76%	0.761	S	S	*	*			trans	-99.4	151.1	170.6	37	-29.7	0	0	0	113
456	N	25.9	Very low	25.9	Very low	142 Å²	142	153 Å²	153	76%	0.759	75%	0.748	S	S	*	*			trans	72.3	101.3	176.6	-38.7	-72.7	0	0	0	115.8
457	E	27.2	Very low	25.9	Very low	199 Å²	199	157.4 Å²	157.4	93%	0.93	76%	0.762	S	S	*	*				-140.6	155.7	121.3	-134.4	175.8	-162.2	0	0	111.2
458	L	25	Very low	25.7	Very low	116 Å²	116	154.6 Å²	154.6	61%	0.607	76%	0.76	S	S	*	*			trans	-112.3	144	-160	-94.1	63.4	0	0	0	111.5
459	K	25.1	Very low	25.7	Very low	184 Å²	184	161 Å²	161	80%	0.8	77%	0.774	S	S	*	*			trans	63.8	129.2	150.1	-63.3	163	-174.9	169.6	0	115.3
460	S	25.6	Very low	25.7	Very low	103 Å²	103	155.9 Å²	155.9	72%	0.72	77%	0.769	S	S	*	*			cis	-179.3	166	21.1	47	0	0	0	0	114.4
461	K	27.7	Very low	25.7	Very low	192 Å²	192	157 Å²	157	84%	0.835	77%	0.767	S	S	*	*			trans	52.8	93.3	146	-71.8	176	179	-178.8	0	120.2
462	N	28.7	Very low	25.7	Very low	148 Å²	148	158.3 Å²	158.3	79%	0.791	77%	0.77	S	S	*	*				28	132.4	116.2	-76.7	-40.5	0	0	0	120.1
463	R	25.6	Very low	25.8	Very low	178 Å²	178	159.4 Å²	159.4	67%	0.672	77%	0.768	S	S	*	*				-145.4	148.7	118.8	-127.3	176.3	-171.9	125.9	20.1	114.8	C363 T364	C363-R463 VanDerWaalsContact C-NH1 3.28Å; C363-R463 VanDerWaalsContact C-NH2 3.34Å; C363-R463 VanDerWaalsContact O-CZ 3.3Å; C363-R463 PolarHBondContact O-NH1 3.08Å; C363-R463 PolarHBondContact O-NH2 3.38Å; T364-R463 PolarHBondContact O-NH1 3.16Å
464	R	24.9	Very low	25.7	Very low	220 Å²	220	160.4 Å²	160.4	83%	0.83	77%	0.766	S	S	*	*			trans	-101.6	151.5	-179.2	-61.5	172.5	174.1	167.3	-4.4	110.9
465	R	26.3	Very low	25.5	Very low	230 Å²	230	158.1 Å²	158.1	87%	0.868	75%	0.752	S	S	*	*			trans	-134.5	155.1	139	-78.3	-164.2	-178.4	178.6	7.1	109.4
466	S	24.9	Very low	25.3	Very low	94 Å²	94	162.4 Å²	162.4	66%	0.657	77%	0.765	S	S	*	*			trans	-148	137.4	-155.2	53.8	0	0	0	0	113.4
467	F	24.1	Very low	25.4	Very low	213 Å²	213	163.5 Å²	163.5	93%	0.934	77%	0.765	S	S	*	*			trans	-169.7	157.4	156.5	-86.4	-64.5	0	0	0	109.1
468	P	25.5	Very low	25.4	Very low	121 Å²	121	161.8 Å²	161.8	79%	0.786	76%	0.763	S	S	*	*			cis	-109.7	-176.6	-33.5	37.8	-25.6	0	0	0	111.2
469	K	23.4	Very low	25.7	Very low	208 Å²	208	163 Å²	163	90%	0.904	76%	0.763	S	S	*	*			trans	-98.3	119.2	-179.6	-65.8	-179.8	179.5	-179.3	0	112.4
470	T	25.6	Very low	26.3	Very low	123 Å²	123	158.2 Å²	158.2	76%	0.755	75%	0.746	S	S	*	*			trans	-97.2	135.4	152.8	42.5	0	0	0	0	109.3	H472	T470-H472 PolarHBondContact O-N 3.34Å
471	K	24.6	Very low	26.7	Very low	167 Å²	167	158 Å²	158	73%	0.726	73%	0.734	S	S	*	*			trans	-80.9	97.8	-178.2	-75.9	-175.1	168.8	-167	0	110.9	Y473	K471-Y473 HydrophobicContact CB-CD2 4.41Å; K471-Y473 HydrophobicContact CB-CE2 4.27Å; K471-Y473 HydrophobicContact CD-CE2 3.68Å; K471-Y473 HydrophobicContact CG-CE2 4.48Å; K471-Y473 PolarHBondContact NZ-OH 3.4Å
472	H	24.6	Very low	27.1	Very low	154 Å²	154	154.3 Å²	154.3	71%	0.713	72%	0.723	S	S	*	*			trans	-82.2	107.1	155.2	-76.4	-83.3	0	0	0	108.7	T470 F474	T470-H472 PolarHBondContact O-N 3.34Å; H472-F474 VanDerWaalsContact C-N 3.35Å; H472-F474 HydrophobicContact CB-CD2 4.48Å; H472-F474 PolarHBondContact O-N 3.19Å
473	Y	24.8	Very low	27.7	Very low	167 Å²	167	153.2 Å²	153.2	66%	0.655	71%	0.714	S	S	*	*			trans	-84.3	85	161	-74.7	-74.2	0	0	0	108.4	K471 I475	K471-Y473 HydrophobicContact CB-CD2 4.41Å; K471-Y473 HydrophobicContact CB-CE2 4.27Å; K471-Y473 HydrophobicContact CD-CE2 3.68Å; K471-Y473 HydrophobicContact CG-CE2 4.48Å; K471-Y473 PolarHBondContact NZ-OH 3.4Å; Y473-I475 HydrophobicContact CD1-CD1 4.36Å; Y473-I475 HydrophobicContact CD1-CG1 4.46Å
474	F	23.3	Very low	28.4	Very low	162 Å²	162	149.6 Å²	149.6	71%	0.711	70%	0.703	S	S	*	*			trans	-93.3	113.9	145.8	-80.5	-86.9	0	0	0	105.7	H472	H472-F474 VanDerWaalsContact C-N 3.35Å; H472-F474 HydrophobicContact CB-CD2 4.48Å; H472-F474 PolarHBondContact O-N 3.19Å
475	I	24.4	Very low	29	Very low	111 Å²	111	144.2 Å²	144.2	57%	0.569	69%	0.69	S	S	*	*			trans	-104.4	95.6	165.7	-61.7	179	0	0	0	104.7	Y473 E477	Y473-I475 HydrophobicContact CD1-CD1 4.36Å; Y473-I475 HydrophobicContact CD1-CG1 4.46Å; I475-E477 HydrophobicContact CG2-CB 3.91Å; I475-E477 VanDerWaalsContact CG2-CD 3.47Å; I475-E477 HydrophobicContact CG2-CG 3.5Å; I475-E477 WeakPolarHBondContact CG2-OE1 3.39Å; I475-E477 PolarHBondContact O-N 3.3Å
476	E	24.8	Very low	29.8	Very low	178 Å²	178	140.3 Å²	140.3	83%	0.832	68%	0.681	S	S	*	*			trans	-80.5	95.4	156.6	-68.2	176.7	147.7	0	0	104.4
477	E	26.8	Very low	30.5	Very low	165 Å²	165	144.2 Å²	144.2	77%	0.771	69%	0.687	S	S	*	*			trans	-87	124	174.8	-111.9	158.6	-153	0	0	108.2	I475 F479	I475-E477 HydrophobicContact CG2-CB 3.91Å; I475-E477 VanDerWaalsContact CG2-CD 3.47Å; I475-E477 HydrophobicContact CG2-CG 3.5Å; I475-E477 WeakPolarHBondContact CG2-OE1 3.39Å; I475-E477 PolarHBondContact O-N 3.3Å; E477-F479 PolarHBondContact O-N 3.08Å
478	D	28.2	Very low	31.2	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	66%	0.663	S	S	*	*			trans	-64.7	126.4	-175.1	-69.9	-61.1	0	0	0	111.1	D480	D478-D480 PolarHBondContact O-N 3.29Å; D478-D480 VanDerWaalsContact O-N 3.16Å
479	F	30.6	Very low	31.6	Very low	141 Å²	141	137.1 Å²	137.1	62%	0.618	66%	0.656	S	S	*	*			trans	-76.5	102.2	179.2	-174.2	-85.9	0	0	0	110.3	E477 E481 F484	E477-F479 PolarHBondContact O-N 3.08Å; F479-E481 HydrophobicContact CD1-CB 4.29Å; F479-E481 HydrophobicContact CE1-CB 4.32Å; F479-E481 PolarHBondContact O-N 3.16Å; F479-E481 VanDerWaalsContact O-N 3.08Å; F479-F484 HydrophobicContact CE1-CB 4.24Å; F479-F484 HydrophobicContact CZ-CB 4.04Å; F479-F484 HydrophobicContact CZ-CD2 4.13Å; F479-F484 HydrophobicContact CZ-CG 4.02Å
480	D	38.4	Very low	32	Very low	84 Å²	84	132.2 Å²	132.2	45%	0.449	65%	0.648	S	S	.	*			trans	-70.3	98.9	172.9	-173.6	-12.9	0	0	0	110.5	D478 D482 Q483 F484	D478-D480 PolarHBondContact O-N 3.29Å; D478-D480 VanDerWaalsContact O-N 3.16Å; D480-D482 VanDerWaalsContact C-N 3.33Å; D480-D482 PolarHBondContact OD1-N 2.87Å; D480-Q483 HydrophobicContact CB-CB 4.04Å; D480-Q483 PolarHBondContact OD1-N 3.11Å; D480-Q483 VanDerWaalsContact OD1-N 3.15Å; D480-Q483 WeakPolarHBondContact OD2-CB 3.41Å; D480-Q483 PolarHBondContact OD2-NE2 2.92Å; D480-F484 PolarHBondContact O-N 2.94Å
481	E	32.8	Very low	32.4	Very low	97 Å²	97	132.8 Å²	132.8	45%	0.453	65%	0.645	S	S	.	*	H	α-helix	trans	-69.8	-29.2	-176.2	-172.7	160.5	-158.6	0	0	112.7	K18 F479 L485	K18-E481 VanDerWaalsContact CE-OE1 3.3Å; K18-E481 WeakPolarHBondContact CE-OE1 3.31Å; K18-E481 IonicContact NZ-OE1 2.68Å; K18-E481 PolarHBondContact NZ-OE1 2.88Å; K18-E481 IonicContact NZ-OE2 3.64Å; F479-E481 HydrophobicContact CD1-CB 4.29Å; F479-E481 HydrophobicContact CE1-CB 4.32Å; F479-E481 PolarHBondContact O-N 3.16Å; F479-E481 VanDerWaalsContact O-N 3.08Å; E481-L485 HydrophobicContact CG-CD1 4.35Å; E481-L485 WeakPolarHBondContact O-CG 3.48Å; E481-L485 PolarHBondContact O-N 3.38Å
482	D	37.2	Very low	32.7	Very low	115 Å²	115	129.1 Å²	129.1	62%	0.615	64%	0.64	S	S	*	*	H	α-helix	trans	-74.4	-39.1	179.1	-69.4	-31.9	0	0	0	111	D480 F484 L485 Q486	D480-D482 VanDerWaalsContact C-N 3.33Å; D480-D482 PolarHBondContact OD1-N 2.87Å; D482-F484 VanDerWaalsContact C-N 3.32Å; D482-F484 PolarHBondContact O-N 3.11Å; D482-L485 PolarHBondContact O-N 3.34Å; D482-Q486 WeakPolarHBondContact O-CG 3.28Å; D482-Q486 PolarHBondContact O-N 3.38Å
483	Q	41	Very low	32.8	Very low	126 Å²	126	128.2 Å²	128.2	59%	0.589	65%	0.647	S	S	*	*	H	α-helix	trans	-66	-33.6	176.5	-160.2	-178.8	127.3	0	0	112.5	D480 K487	D480-Q483 HydrophobicContact CB-CB 4.04Å; D480-Q483 PolarHBondContact OD1-N 3.11Å; D480-Q483 VanDerWaalsContact OD1-N 3.15Å; D480-Q483 WeakPolarHBondContact OD2-CB 3.41Å; D480-Q483 PolarHBondContact OD2-NE2 2.92Å; Q483-K487 PolarHBondContact O-N 3.14Å
484	F	39.2	Very low	33	Very low	101 Å²	101	125.3 Å²	125.3	44%	0.443	65%	0.647	S	S	.	*	H	α-helix	trans	-66.1	-43.3	171.2	-179	-95.3	0	0	0	111.9	F479 D480 D482 K487 H488	F479-F484 HydrophobicContact CE1-CB 4.24Å; F479-F484 HydrophobicContact CZ-CB 4.04Å; F479-F484 HydrophobicContact CZ-CD2 4.13Å; F479-F484 HydrophobicContact CZ-CG 4.02Å; D480-F484 PolarHBondContact O-N 2.94Å; D482-F484 VanDerWaalsContact C-N 3.32Å; D482-F484 PolarHBondContact O-N 3.11Å; F484-K487 PolarHBondContact O-N 3.18Å; F484-H488 AromaticContact CE1-CD2 3.98Å; F484-H488 AromaticContact CE2-CD2 3.59Å; F484-H488 AromaticContact CE2-NE2 3.57Å; F484-H488 AromaticContact CZ-CD2 3.58Å; F484-H488 AromaticContact CZ-NE2 3.8Å; F484-H488 PolarHBondContact O-CD2 2.6Å; F484-H488 PolarHBondContact O-N 3.36Å
485	L	38.7	Very low	33.2	Very low	107 Å²	107	125.2 Å²	125.2	56%	0.56	65%	0.654	S	S	*	*	H	α-helix	trans	-69.2	-38.2	-179.2	-73.1	168.1	0	0	0	112.8	E481 D482 K487 H488 S489	E481-L485 HydrophobicContact CG-CD1 4.35Å; E481-L485 WeakPolarHBondContact O-CG 3.48Å; E481-L485 PolarHBondContact O-N 3.38Å; D482-L485 PolarHBondContact O-N 3.34Å; L485-K487 VanDerWaalsContact C-N 3.31Å; L485-K487 PolarHBondContact O-N 3.21Å; L485-H488 PolarHBondContact O-N 2.87Å; L485-S489 PolarHBondContact O-N 2.85Å
486	Q	43	Very low	33.2	Very low	148 Å²	148	130.5 Å²	130.5	69%	0.692	67%	0.668	S	S	*	*	H	α-helix	trans	-60.1	-40.7	172.9	-74.8	-178.2	-4.5	0	0	112	D482 H488 S489	D482-Q486 WeakPolarHBondContact O-CG 3.28Å; D482-Q486 PolarHBondContact O-N 3.38Å; Q486-H488 VanDerWaalsContact C-N 3.33Å; Q486-H488 PolarHBondContact O-N 3.32Å; Q486-S489 WeakPolarHBondContact O-CB 3.12Å; Q486-S489 PolarHBondContact O-N 2.73Å; Q486-S489 PolarHBondContact O-OG 3.41Å
487	K	38.4	Very low	33.6	Very low	176 Å²	176	128 Å²	128	77%	0.765	67%	0.665	S	S	*	*	H	α-helix	trans	-76.7	-15.2	-174.5	-151.5	168.9	-171.3	173.6	0	114.7	Q483 F484 L485	Q483-K487 PolarHBondContact O-N 3.14Å; F484-K487 PolarHBondContact O-N 3.18Å; L485-K487 VanDerWaalsContact C-N 3.31Å; L485-K487 PolarHBondContact O-N 3.21Å
488	H	39.4	Very low	33.6	Very low	95 Å²	95	126.3 Å²	126.3	44%	0.44	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	13.6	174.7	-75.3	-71	0	0	0	113.8	F484 L485 Q486 S490 L491	F484-H488 AromaticContact CE1-CD2 3.98Å; F484-H488 AromaticContact CE2-CD2 3.59Å; F484-H488 AromaticContact CE2-NE2 3.57Å; F484-H488 AromaticContact CZ-CD2 3.58Å; F484-H488 AromaticContact CZ-NE2 3.8Å; F484-H488 PolarHBondContact O-CD2 2.6Å; F484-H488 PolarHBondContact O-N 3.36Å; L485-H488 PolarHBondContact O-N 2.87Å; Q486-H488 VanDerWaalsContact C-N 3.33Å; Q486-H488 PolarHBondContact O-N 3.32Å; H488-S490 PolarHBondContact O-N 3.29Å; H488-S490 VanDerWaalsContact O-N 3.17Å; H488-L491 PolarHBondContact O-N 2.89Å
489	S	33.9	Very low	33.6	Very low	90 Å²	90	126.1 Å²	126.1	63%	0.629	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-62.9	-17.8	-178.7	55.2	0	0	0	0	115.2	L485 Q486 L491	L485-S489 PolarHBondContact O-N 2.85Å; Q486-S489 WeakPolarHBondContact O-CB 3.12Å; Q486-S489 PolarHBondContact O-N 2.73Å; Q486-S489 PolarHBondContact O-OG 3.41Å; S489-L491 VanDerWaalsContact C-N 3.27Å; S489-L491 PolarHBondContact O-N 2.74Å
490	S	32.8	Very low	33.5	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-73.3	-10.1	177.8	52.2	0	0	0	0	115	H488	H488-S490 PolarHBondContact O-N 3.29Å; H488-S490 VanDerWaalsContact O-N 3.17Å
491	L	32.6	Very low	32.9	Very low	134 Å²	134	130.5 Å²	130.5	70%	0.702	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-100	7.2	-169.5	-68.8	169.6	0	0	0	115.3	H488 S489	H488-L491 PolarHBondContact O-N 2.89Å; S489-L491 VanDerWaalsContact C-N 3.27Å; S489-L491 PolarHBondContact O-N 2.74Å
492	C	30.7	Very low	32.8	Very low	91 Å²	91	132 Å²	132	62%	0.615	72%	0.715	S	S	*	*			trans	-155.2	99.5	178	-156	0	0	0	0	113.3	T494	C492-T494 VanDerWaalsContact C-N 3.29Å; C492-T494 PolarHBondContact O-N 3.23Å
493	P	26.7	Very low	32.2	Very low	134 Å²	134	131.7 Å²	131.7	87%	0.87	72%	0.721	S	S	*	*			trans	-83	55.3	-170.5	34.7	-37.6	0	0	0	114.1
494	T	29.3	Very low	31.5	Very low	106 Å²	106	134.9 Å²	134.9	65%	0.65	74%	0.736	S	S	*	*			trans	-148.1	133.2	175.6	38.8	0	0	0	0	114.9	C492	C492-T494 VanDerWaalsContact C-N 3.29Å; C492-T494 PolarHBondContact O-N 3.23Å
495	L	27.9	Very low	31	Very low	161 Å²	161	135.7 Å²	135.7	84%	0.843	75%	0.753	S	S	*	*			trans	76.5	68.1	155.1	-60.4	166.5	0	0	0	119.1
496	Y	25.1	Very low	30.4	Very low	221 Å²	221	142.8 Å²	142.8	87%	0.867	77%	0.772	S	S	*	*			trans	-92.4	112	144.8	-115.9	-83.4	0	0	0	109.5
497	T	33.1	Very low	29.7	Very low	127 Å²	127	140.3 Å²	140.3	78%	0.779	77%	0.771	S	S	*	*			trans	-163.5	125.1	155.9	48.2	0	0	0	0	109.8
498	D	26.4	Very low	29.2	Very low	128 Å²	128	138.5 Å²	138.5	68%	0.684	77%	0.77	S	S	*	*			trans	-78.3	174.5	-175	-62.9	-80.4	0	0	0	115.7
499	N	28	Very low	28.6	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	79%	0.792	S	S	*	*			trans	82.5	107.7	168.3	-48.3	-74.5	0	0	0	117.3
500	C	28.4	Very low	28.4	Very low	134 Å²	134	141.1 Å²	141.1	91%	0.905	79%	0.794	S	S	*	*				-169.1	155.2	94.4	-161.8	0	0	0	0	111.6
501	Q	26.1	Very low	28.2	Very low	183 Å²	183	140.7 Å²	140.7	86%	0.855	80%	0.797	S	S	*	*			trans	-97.3	139	-179.9	-58.4	170.7	-0	0	0	111.5
502	S	31.1	Very low	27.9	Very low	130 Å²	130	143.2 Å²	143.2	91%	0.909	80%	0.797	S	S	*	*			trans	-172.7	154.9	145.2	43.4	0	0	0	0	111.4
503	S	24.6	Very low	27.7	Very low	107 Å²	107	143.3 Å²	143.3	75%	0.748	80%	0.799	S	S	*	*			trans	-116.3	128.7	-172.9	51.8	0	0	0	0	112.1
504	Q	26.9	Very low	27.8	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	80%	0.797	S	S	*	*			trans	-176.3	-175.6	153.6	-105.3	155.8	43.1	0	0	112.3
505	C	28.8	Very low	27.7	Very low	118 Å²	118	142.1 Å²	142.1	80%	0.797	80%	0.804	S	S	*	*			trans	71.9	54.2	171.5	-61.8	0	0	0	0	118.4	S507	C505-S507 PolarHBondContact O-N 3.39Å
506	R	24.3	Very low	27.7	Very low	256 Å²	256	144.2 Å²	144.2	97%	0.966	80%	0.802	S	S	*	*			trans	-71.6	103.9	147.7	-81.2	-179.4	169.5	175.1	-3.1	110.3
507	S	28.7	Very low	27.8	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	80%	0.804	S	S	*	*			trans	-168	158.6	158.9	45.1	0	0	0	0	114.3	C505	C505-S507 PolarHBondContact O-N 3.39Å
508	N	28.9	Very low	27.5	Very low	139 Å²	139	148.2 Å²	148.2	74%	0.743	81%	0.809	S	S	*	*			trans	84.5	46.8	166.8	-57.9	-18.6	0	0	0	119.7	V510	N508-V510 PolarHBondContact O-N 2.76Å
509	S	26	Very low	27.6	Very low	129 Å²	129	151.8 Å²	151.8	90%	0.902	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	62.5	160.1	59.3	0	0	0	0	113.3
510	V	29.4	Very low	27.6	Very low	111 Å²	111	153.5 Å²	153.5	67%	0.673	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	-28.1	-178.1	-173.2	0	0	0	0	113.5	N508 R512 S513	N508-V510 PolarHBondContact O-N 2.76Å; V510-R512 PolarHBondContact O-N 2.98Å; V510-S513 PolarHBondContact O-OG 2.96Å
511	A	28.9	Very low	27.5	Very low	96 Å²	96	156 Å²	156	79%	0.793	82%	0.82	S	S	*	*	G	3₁₀ helix	trans	-79.6	-12.5	-168.9	0	0	0	0	0	116.5	S513	A511-S513 VanDerWaalsContact C-N 3.35Å; A511-S513 PolarHBondContact O-N 3.08Å
512	R	26.1	Very low	27.5	Very low	187 Å²	187	154 Å²	154	71%	0.706	81%	0.814	S	S	*	*	G	3₁₀ helix	trans	-87.9	8.1	-176.9	-88.8	179.5	165.6	166.3	-6.5	114.9	T19 V510	T19-R512 PolarHBondContact OG1-NH2 2.6Å; T19-R512 VanDerWaalsContact OG1-NH2 3.07Å; V510-R512 PolarHBondContact O-N 2.98Å
513	S	27.5	Very low	27.3	Very low	93 Å²	93	155.2 Å²	155.2	65%	0.65	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-92.5	-11	-168.8	-52.1	0	0	0	0	116.2	V510 A511	V510-S513 PolarHBondContact O-OG 2.96Å; A511-S513 VanDerWaalsContact C-N 3.35Å; A511-S513 PolarHBondContact O-N 3.08Å
514	S	27.8	Very low	27.4	Very low	121 Å²	121	156.1 Å²	156.1	85%	0.846	81%	0.812	S	S	*	*	S	Bend	trans	-105.2	1.7	-168.4	-58.9	0	0	0	0	115.8
515	A	28.1	Very low	27.4	Very low	94 Å²	94	153.8 Å²	153.8	78%	0.777	80%	0.804	S	S	*	*	S	Bend	trans	-97.7	0.5	177.8	0	0	0	0	0	114
516	Y	27.2	Very low	27.4	Very low	206 Å²	206	155.3 Å²	155.3	81%	0.808	80%	0.803	S	S	*	*	S	Bend	trans	-105.8	27.4	-163.7	-112.2	-84.3	0	0	0	114.7
517	R	27.1	Very low	27.6	Very low	243 Å²	243	149 Å²	149	92%	0.917	80%	0.795	S	S	*	*	S	Bend	trans	-137.8	8.9	-172.1	-90.5	-168.8	177.1	178.9	1.7	118.6
518	E	28.2	Very low	27.6	Very low	189 Å²	189	151.3 Å²	151.3	88%	0.883	80%	0.799	S	S	*	*	S	Bend	trans	-116.8	-0.7	178	-78.7	-177.8	146.6	0	0	115.6
519	F	26.6	Very low	27.5	Very low	202 Å²	202	148.8 Å²	148.8	89%	0.886	79%	0.789	S	S	*	*			trans	-111.1	49.1	-177.4	-92.7	-86.7	0	0	0	114
520	H	28.1	Very low	27.8	Very low	196 Å²	196	149 Å²	149	91%	0.907	78%	0.784	S	S	*	*			trans	-134.9	38.4	174.2	-107	-66	0	0	0	113.6
521	Q	27.2	Very low	27.8	Very low	187 Å²	187	146 Å²	146	87%	0.874	77%	0.769	S	S	*	*			trans	-142.9	95.6	161.5	-80.5	-177.2	-7.3	0	0	108.5
522	L	26.7	Very low	27.8	Very low	140 Å²	140	146.1 Å²	146.1	73%	0.733	76%	0.763	S	S	*	*			trans	-176	58.3	162.6	-105.8	169.5	0	0	0	109.4	I525	L522-I525 HydrophobicContact CD2-CD1 3.96Å
523	D	26.1	Very low	27.9	Very low	157 Å²	157	147.6 Å²	147.6	84%	0.84	78%	0.775	S	S	*	*			trans	-77.3	141.4	154.9	-86.8	-55.7	0	0	0	107.8
524	T	26.2	Very low	27.9	Very low	126 Å²	126	152.5 Å²	152.5	77%	0.773	79%	0.785	S	S	*	*			trans	64.6	125.4	-172.6	66.8	0	0	0	0	116.4
525	I	28.2	Very low	28	Very low	143 Å²	143	152 Å²	152	73%	0.733	78%	0.781	S	S	*	*			trans	-162.8	116.1	132.8	-100.1	152.7	0	0	0	107	L522	L522-I525 HydrophobicContact CD2-CD1 3.96Å
526	L	28.5	Very low	28	Very low	151 Å²	151	152.5 Å²	152.5	79%	0.791	78%	0.779	S	S	*	*			trans	-86.3	146.7	147.4	-76.3	165	0	0	0	105.9	I528	L526-I528 PolarHBondContact O-N 3.28Å; L526-I528 VanDerWaalsContact O-N 3.13Å
527	P	28.3	Very low	28.1	Very low	122 Å²	122	152 Å²	152	79%	0.792	78%	0.782	S	S	*	*			trans	-67.6	115.9	-170	26.6	-34.2	0	0	0	111.7
528	I	29.6	Very low	28.2	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	78%	0.779	S	S	*	*			trans	-116.7	123.9	160.6	-62.4	178.8	0	0	0	106.6	L526	L526-I528 PolarHBondContact O-N 3.28Å; L526-I528 VanDerWaalsContact O-N 3.13Å
529	T	26.7	Very low	28.3	Very low	87 Å²	87	143.8 Å²	143.8	53%	0.534	77%	0.773	S	S	.	*			trans	-72.7	124.7	178.7	37.9	0	0	0	0	110.5
530	T	30.7	Very low	28.4	Very low	132 Å²	132	146.3 Å²	146.3	81%	0.81	78%	0.777	S	S	*	*			trans	-127.3	115.3	166.5	43.7	0	0	0	0	109.6
531	S	30.8	Very low	28.8	Very low	50 Å²	50	142.9 Å²	142.9	35%	0.35	77%	0.772	S	S	.	*			trans	-83.3	126.4	-177.1	38.3	0	0	0	0	112	N916	S531-N916 PolarHBondContact OG-ND2 3.14Å; S531-N916 PolarHBondContact OG-OD1 3.03Å
532	S	27.7	Very low	29	Very low	97 Å²	97	138.6 Å²	138.6	68%	0.678	77%	0.768	S	S	*	*			trans	-17.9	140	165.4	55.9	0	0	0	0	119.3
533	F	29.8	Very low	29.2	Very low	218 Å²	218	136.2 Å²	136.2	96%	0.956	76%	0.764	S	S	*	*			trans	-137.4	149	132.1	-106.2	-80.1	0	0	0	111.5
534	K	25.8	Very low	29.5	Very low	196 Å²	196	140.6 Å²	140.6	85%	0.852	77%	0.768	S	S	*	*			trans	-130.1	122.1	-177.1	-76.9	179.8	178.2	172	0	111.8
535	S	31.3	Very low	29.7	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	76%	0.764	S	S	*	*			trans	175.9	112.6	145.1	48.6	0	0	0	0	108.5
536	S	27.1	Very low	29.8	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	77%	0.772	S	S	*	*				58.4	105	81.8	-63.5	0	0	0	0	114.5
537	F	30.4	Very low	30	Very low	197 Å²	197	135.5 Å²	135.5	86%	0.864	77%	0.765	S	S	*	*				-166.5	175.3	97.4	-110.1	-80.8	0	0	0	112.6
538	H	28.7	Very low	30	Very low	185 Å²	185	138.8 Å²	138.8	86%	0.856	76%	0.762	S	S	*	*			trans	-84.9	161.4	-169.7	-59.6	-85.2	0	0	0	114.6
539	G	29.9	Very low	30.2	Very low	74 Å²	74	141.2 Å²	141.2	76%	0.763	77%	0.77	S	S	*	*			trans	-153.4	-38.9	179.1	0	0	0	0	0	120.5
540	R	29.5	Very low	30.1	Very low	255 Å²	255	142 Å²	142	96%	0.962	78%	0.779	S	S	*	*			trans	64.6	158.2	-176.3	-78.2	-172.5	172.6	-169.5	-0.5	118.1
541	P	35.2	Very low	30.2	Very low	123 Å²	123	144.6 Å²	144.6	80%	0.799	78%	0.782	S	S	*	*			trans	-130.3	160.2	-171.3	42.3	-27.1	0	0	0	117.3
542	A	32.7	Very low	29.9	Very low	97 Å²	97	153.6 Å²	153.6	80%	0.802	81%	0.808	S	S	*	*			trans	-177.6	163.2	153.3	0	0	0	0	0	111
543	S	31	Very low	30.1	Very low	91 Å²	91	156.2 Å²	156.2	64%	0.636	81%	0.813	S	S	*	*			cis	-170.1	154.1	-38.8	70.4	0	0	0	0	109.7
544	R	31.3	Very low	29.9	Very low	248 Å²	248	153.8 Å²	153.8	94%	0.936	81%	0.809	S	S	*	*			trans	70.3	145.7	171.6	-47.8	165.7	-175.3	-171.4	-0.6	115.7
545	G	30.6	Very low	30	Very low	67 Å²	67	149.7 Å²	149.7	69%	0.691	80%	0.802	S	S	*	*			cis	165.2	162.4	-15.7	0	0	0	0	0	116.4
546	V	30.4	Very low	29.8	Very low	146 Å²	146	156.2 Å²	156.2	89%	0.885	81%	0.81	S	S	*	*			trans	84.6	141.4	154.5	-178	0	0	0	0	118.7
547	P	33.5	Very low	29.8	Very low	101 Å²	101	156.8 Å²	156.8	66%	0.656	81%	0.811	S	S	*	*			trans	-141.4	-169.2	-155	42.1	-20.1	0	0	0	117.3
548	R	28.2	Very low	29.8	Very low	190 Å²	190	154 Å²	154	72%	0.717	81%	0.81	S	S	*	*			trans	75.8	127.1	157.3	-65.8	170.9	176.4	-143.7	-5.3	119.9
549	Q	32.5	Very low	29.6	Very low	197 Å²	197	150.6 Å²	150.6	92%	0.921	81%	0.807	S	S	*	*				-142.3	169.2	122.9	-110.2	-178.8	8.4	0	0	110.1
550	S	25.5	Very low	29.6	Very low	104 Å²	104	158 Å²	158	73%	0.727	81%	0.812	S	S	*	*			trans	-155.2	135.4	-167	58.1	0	0	0	0	112.8
551	H	33.2	Very low	29.3	Very low	186 Å²	186	153 Å²	153	86%	0.861	80%	0.803	S	S	*	*			trans	-138.3	136.9	163.5	-87.8	-85	0	0	0	112.1
552	R	24.3	Very low	29.1	Very low	238 Å²	238	153.8 Å²	153.8	90%	0.898	80%	0.801	S	S	*	*			trans	-87.1	141.6	164.6	-68.3	171	167.1	173.4	-6.7	108.9
553	I	30.9	Very low	28.8	Very low	153 Å²	153	157.9 Å²	157.9	79%	0.785	80%	0.796	S	S	*	*			trans	-145.6	134.5	139.1	-81.2	110.7	0	0	0	108.2
554	L	25.5	Very low	28.6	Very low	167 Å²	167	162.5 Å²	162.5	87%	0.874	80%	0.8	S	S	*	*			trans	-125.6	144	151.6	-72.8	172.7	0	0	0	104.5
555	P	29.6	Very low	28.7	Very low	110 Å²	110	155.3 Å²	155.3	71%	0.714	79%	0.786	S	S	*	*				-155.1	143.9	93.3	37.7	-18.6	0	0	0	117.8
556	R	25.5	Very low	28.5	Very low	246 Å²	246	158.7 Å²	158.7	93%	0.928	78%	0.784	S	S	*	*			trans	59.7	159.1	143.1	-80	-169.7	172	-159	-3.4	121.1
557	P	28.6	Very low	28.3	Very low	118 Å²	118	161 Å²	161	77%	0.766	78%	0.777	S	S	*	*			trans	-100.4	168.7	-165.2	39.9	-36.1	0	0	0	114.2
558	V	29.3	Very low	28	Very low	138 Å²	138	161.6 Å²	161.6	84%	0.836	78%	0.782	S	S	*	*			trans	-129.4	127.2	165.8	178.8	0	0	0	0	108.6
559	S	25.2	Very low	27.9	Very low	113 Å²	113	158.1 Å²	158.1	79%	0.79	79%	0.786	S	S	*	*			trans	-92.6	145.2	168.7	48.1	0	0	0	0	110.5
560	R	28.7	Very low	27.7	Very low	231 Å²	231	154.4 Å²	154.4	87%	0.872	78%	0.782	S	S	*	*			trans	-153.6	133.4	163.5	-143	172	-174.5	120	2.2	110.9
561	L	24.8	Very low	28	Very low	148 Å²	148	155 Å²	155	78%	0.775	78%	0.784	S	S	*	*			trans	-84.4	147.3	171.2	-81.1	64.3	0	0	0	109.8
562	D	30.1	Very low	27.9	Very low	140 Å²	140	152.3 Å²	152.3	75%	0.749	78%	0.78	S	S	*	*			trans	-146.7	130.6	135.6	-84	-52.3	0	0	0	105.4
563	R	26.1	Very low	28.2	Very low	184 Å²	184	146 Å²	146	69%	0.694	77%	0.768	S	S	*	*				65.6	133.8	65.6	-67.4	-179.7	173.4	-155.6	-2.2	111.2
564	Y	26.3	Very low	28.1	Very low	187 Å²	187	144.1 Å²	144.1	73%	0.733	76%	0.764	S	S	*	*			cis	-154.5	-157.9	13.1	-128.9	-31.7	0	0	0	111.7
565	P	33.6	Very low	28.4	Very low	97 Å²	97	142.9 Å²	142.9	63%	0.63	76%	0.758	S	S	*	*			trans	-127.3	-164.9	-135.4	46.3	-29.7	0	0	0	118.1
566	E	27	Very low	28.5	Very low	139 Å²	139	144 Å²	144	65%	0.65	76%	0.758	S	S	*	*			trans	104.1	128.2	139.4	-93.9	-168.6	169.4	0	0	123.9
567	R	25.7	Very low	28.9	Very low	195 Å²	195	137 Å²	137	74%	0.736	75%	0.747	S	S	*	*				99.2	146.2	128.9	-86.6	-178	-150.1	-99.4	-15.2	124.4
568	C	27.2	Very low	28.9	Very low	112 Å²	112	139.3 Å²	139.3	76%	0.757	75%	0.748	S	S	*	*			trans	72.1	124.2	161.1	-63.1	0	0	0	0	118.2
569	S	26.6	Very low	29.1	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	74%	0.743	S	S	*	*			cis	111.3	112.5	3.8	-59.9	0	0	0	0	115.6
570	S	28.6	Very low	29.4	Very low	119 Å²	119	139 Å²	139	83%	0.832	74%	0.737	S	S	*	*			trans	-175.1	127.9	150	50.4	0	0	0	0	112.7
571	P	32.1	Very low	29.4	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	73%	0.729	S	S	*	*			trans	-119.9	177.8	176.8	42.4	-32.5	0	0	0	114.6
572	V	30.9	Very low	29.6	Very low	130 Å²	130	135.4 Å²	135.4	79%	0.788	73%	0.728	S	S	*	*			trans	-147.1	130.1	170	169.7	0	0	0	0	106.4
573	T	29.5	Very low	29.6	Very low	106 Å²	106	134.6 Å²	134.6	65%	0.65	72%	0.724	S	S	*	*			cis	88.6	124.8	22.4	71.9	0	0	0	0	115.7
574	T	29.6	Very low	29.7	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.693	72%	0.724	S	S	*	*			cis	-160.3	-169.9	0.3	25.2	0	0	0	0	109.2
575	D	32	Very low	29.6	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	72%	0.723	S	S	*	*			trans	102.4	136.5	152.6	-57.9	28.4	0	0	0	117.4
576	D	30.9	Very low	29.5	Very low	134 Å²	134	135.3 Å²	135.3	72%	0.717	73%	0.732	S	S	*	*				-159.8	169.8	-58.1	-130.5	-40.2	0	0	0	111.6
577	S	33.9	Very low	29.5	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	74%	0.738	S	S	*	*			trans	67.5	149.9	160.3	74.9	0	0	0	0	120.1
578	Q	29.6	Very low	29.6	Very low	166 Å²	166	133.8 Å²	133.8	78%	0.776	74%	0.738	S	S	*	*			cis	-164.7	-176.3	-41.1	-128.6	161.7	-21.5	0	0	110.7
579	D	32.3	Very low	29.6	Very low	138 Å²	138	132 Å²	132	74%	0.738	73%	0.731	S	S	*	*			trans	71.1	130.8	166.2	-59.1	-14.9	0	0	0	118.5
580	T	31.8	Very low	29.6	Very low	107 Å²	107	132 Å²	132	66%	0.656	72%	0.722	S	S	*	*			cis	-162.5	148	-7.9	19	0	0	0	0	110.4
581	I	28.4	Very low	29.7	Very low	137 Å²	137	131 Å²	131	70%	0.703	71%	0.707	S	S	*	*			trans	41.2	123.3	131.8	-53.7	168.2	0	0	0	116.8
582	E	30	Very low	29.4	Very low	165 Å²	165	130.3 Å²	130.3	77%	0.771	70%	0.696	S	S	*	*			cis	-171.1	161.6	43.5	-130.2	147.7	-145.8	0	0	107.8
583	N	29.6	Very low	29.3	Very low	123 Å²	123	128.7 Å²	128.7	66%	0.658	68%	0.68	S	S	*	*			cis	-167.1	167.3	-23.1	-111	-5.1	0	0	0	111.9
584	Y	27.7	Very low	29.2	Very low	179 Å²	179	130.9 Å²	130.9	70%	0.702	68%	0.683	S	S	*	*			trans	28.1	113.3	154.7	-74.3	-86.5	0	0	0	123.7
585	E	25.6	Very low	29.1	Very low	151 Å²	151	131.5 Å²	131.5	71%	0.706	69%	0.686	S	S	*	*				44.4	114.8	123.4	-61	175.2	-176.8	0	0	120.9
586	N	30	Very low	28.8	Very low	153 Å²	153	130.5 Å²	130.5	82%	0.818	68%	0.677	S	S	*	*				-173.1	158.2	97.8	-101.1	-75.3	0	0	0	114.6
587	H	27.1	Very low	28.8	Very low	165 Å²	165	132 Å²	132	76%	0.764	68%	0.683	S	S	*	*			trans	-73.1	167.4	170.8	-85.2	-100.2	0	0	0	111.8
588	D	27.6	Very low	28.4	Very low	138 Å²	138	134.3 Å²	134.3	74%	0.738	68%	0.681	S	S	*	*			cis	-161.7	159.6	15.4	-127	-14.3	0	0	0	114.2
589	A	27.3	Very low	28.5	Very low	74 Å²	74	136 Å²	136	61%	0.612	69%	0.686	S	S	*	*			trans	65.6	139.6	142.8	0	0	0	0	0	126.9
590	N	28.2	Very low	28.1	Very low	117 Å²	117	137.5 Å²	137.5	63%	0.626	69%	0.688	S	S	*	*			trans	113	94.2	136	-66.5	-41.1	0	0	0	124.8	N389	N389-N590 CarbonylContact C-O 3.58Å; N389-N590 VanDerWaalsContact O-O 3.06Å
591	N	28.8	Very low	27.9	Very low	97 Å²	97	139.4 Å²	139.4	52%	0.519	69%	0.694	S	S	.	*				68.6	110.9	117.6	-64.9	-25.8	0	0	0	126.6	V388 N389	V388-N591 CarbonylContact C-O 3.6Å; N389-N591 VanDerWaalsContact C-C 3.48Å; N389-N591 WeakPolarHBondContact CA-O 3.45Å; N389-N591 VanDerWaalsContact N-C 3.29Å; N389-N591 PolarHBondContact N-O 3.09Å
592	L	27.9	Very low	27.7	Very low	103 Å²	103	139.6 Å²	139.6	54%	0.539	70%	0.696	S	S	.	*			trans	72.9	115.9	142.1	-59.5	164.4	0	0	0	122.8	V388 N389 D390	V388-L592 CarbonylContact C-O 3.6Å; V388-L592 WeakPolarHBondContact CA-O 3.42Å; N389-L592 VanDerWaalsContact N-C 3.32Å; N389-L592 PolarHBondContact N-O 3.3Å; N389-L592 PolarHBondContact OD1-O 3.04Å; N389-L592 VanDerWaalsContact OD1-O 3.05Å; D390-L592 VanDerWaalsContact CA-N 3.34Å; D390-L592 WeakPolarHBondContact OD1-CA 3.39Å; D390-L592 PolarHBondContact OD1-N 2.97Å; D390-L592 VanDerWaalsContact OD2-CA 3.29Å; D390-L592 WeakPolarHBondContact OD2-CA 3.2Å
593	H	28.5	Very low	27.6	Very low	96 Å²	96	140.4 Å²	140.4	44%	0.444	70%	0.702	S	S	.	*			trans	133.7	126.6	137.5	-98.1	33.1	0	0	0	121.2	V388 N389 D390	V388-H593 HydrophobicContact CG2-CB 4.42Å; N389-H593 PolarHBondContact ND2-O 3.25Å; N389-H593 WeakPolarHBondContact OD1-CA 3.28Å; N389-H593 PolarHBondContact OD1-N 3.28Å; N389-H593 VanDerWaalsContact OD1-N 3.09Å; N389-H593 PolarHBondContact OD1-O 2.87Å; D390-H593 PolarHBondContact OD2-N 3.4Å
594	E	26.6	Very low	27.5	Very low	152 Å²	152	140.5 Å²	140.5	71%	0.71	70%	0.703	S	S	*	*			trans	65.1	171.7	147.8	-62.9	-173.9	123.2	0	0	116.2
595	V	28	Very low	27.4	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	70%	0.703	S	S	*	*			cis	-140.1	155	25.1	175	0	0	0	0	112.5
596	E	25.2	Very low	27.5	Very low	121 Å²	121	137 Å²	137	57%	0.565	70%	0.701	S	S	*	*			trans	-60	156.1	174.6	-30.2	157.5	95.8	0	0	113.9	K598	E596-K598 WeakPolarHBondContact OE1-CE 3.44Å; E596-K598 IonicContact OE1-NZ 2.65Å; E596-K598 PolarHBondContact OE1-NZ 2.75Å; E596-K598 IonicContact OE2-NZ 3.11Å; E596-K598 PolarHBondContact OE2-NZ 3.32Å
597	I	30.7	Very low	27.4	Very low	166 Å²	166	137 Å²	137	85%	0.851	70%	0.696	S	S	*	*			trans	-130.8	116.3	140.6	-62	-174.6	0	0	0	110.7
598	K	25.8	Very low	27.3	Very low	146 Å²	146	135.2 Å²	135.2	64%	0.635	69%	0.691	S	S	*	*			trans	-71.2	135.1	176.5	-59.8	168.8	167.3	84.7	0	111.5	E596	E596-K598 WeakPolarHBondContact OE1-CE 3.44Å; E596-K598 IonicContact OE1-NZ 2.65Å; E596-K598 PolarHBondContact OE1-NZ 2.75Å; E596-K598 IonicContact OE2-NZ 3.11Å; E596-K598 PolarHBondContact OE2-NZ 3.32Å
599	K	30.5	Very low	27.2	Very low	202 Å²	202	137.8 Å²	137.8	88%	0.878	70%	0.696	S	S	*	*			trans	-139.4	125.1	151.4	-79.3	-165.9	175.9	175.6	0	111.7
600	H	24.9	Very low	27.3	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.787	70%	0.702	S	S	*	*			trans	-65.1	147.6	169.9	-63.6	-105.2	0	0	0	110.9
601	N	26.8	Very low	27.3	Very low	146 Å²	146	144 Å²	144	78%	0.781	72%	0.715	S	S	*	*				169.3	106.5	109	-85.2	-34.6	0	0	0	114	M603	N601-M603 PolarHBondContact O-N 3.21Å
602	N	24.1	Very low	27.2	Very low	141 Å²	141	147.5 Å²	147.5	75%	0.754	73%	0.732	S	S	*	*				30.1	85.4	120.4	-172.4	31.1	0	0	0	119.4
603	M	29.6	Very low	27.2	Very low	182 Å²	182	148.4 Å²	148.4	90%	0.897	75%	0.747	S	S	*	*			trans	-151.4	127.1	142.5	-67.9	-163.1	179.1	0	0	106.4	N601	N601-M603 PolarHBondContact O-N 3.21Å
604	N	26.3	Very low	27.3	Very low	125 Å²	125	147.6 Å²	147.6	67%	0.668	76%	0.764	S	S	*	*			cis	77.1	95.5	24.1	-145.8	23	0	0	0	114.6
605	N	26.2	Very low	27.3	Very low	131 Å²	131	149.8 Å²	149.8	70%	0.701	77%	0.772	S	S	*	*			trans	66.5	131.6	155.2	-63.8	-14.6	0	0	0	122.6
606	N	26.7	Very low	27.2	Very low	127 Å²	127	151.3 Å²	151.3	68%	0.679	78%	0.775	S	S	*	*			trans	89.2	130.8	137.5	-68.7	-0.4	0	0	0	123.6
607	H	28.6	Very low	27.5	Very low	151 Å²	151	151.9 Å²	151.9	70%	0.699	79%	0.786	S	S	*	*			trans	65.5	108.8	149.3	-61.1	-49.3	0	0	0	122.5
608	I	25.3	Very low	27.6	Very low	128 Å²	128	149.6 Å²	149.6	66%	0.656	78%	0.78	S	S	*	*				37.7	119.8	111	-55.1	167.8	0	0	0	117.1
609	F	25.3	Very low	27.6	Very low	192 Å²	192	150 Å²	150	84%	0.842	79%	0.79	S	S	*	*				175.7	117.8	124.1	-96.4	-61.5	0	0	0	112.5
610	P	29.8	Very low	27.5	Very low	116 Å²	116	150.2 Å²	150.2	75%	0.753	79%	0.79	S	S	*	*			trans	-83.1	133.3	159.5	32.6	-30	0	0	0	110.6
611	K	28.4	Very low	27.9	Very low	206 Å²	206	147.1 Å²	147.1	90%	0.896	78%	0.78	S	S	*	*			trans	-85.8	141.3	178.5	-72.2	176.4	177.4	172.3	0	111.7
612	I	25.3	Very low	28.1	Very low	170 Å²	170	147.9 Å²	147.9	87%	0.872	78%	0.776	S	S	*	*			trans	-125.3	115.8	168.1	-59.7	177.5	0	0	0	110
613	S	28.9	Very low	28.2	Very low	123 Å²	123	146.5 Å²	146.5	86%	0.86	78%	0.776	S	S	*	*			trans	-162.8	148.9	158.3	57	0	0	0	0	109.2
614	G	30.1	Very low	28.3	Very low	78 Å²	78	147.4 Å²	147.4	80%	0.804	78%	0.775	S	S	*	*			cis	-145.7	-160	7.2	0	0	0	0	0	114.7
615	K	27	Very low	28.5	Very low	198 Å²	198	148 Å²	148	86%	0.861	78%	0.783	S	S	*	*			trans	-102.9	151.6	-158.6	-53.4	167.1	179.3	175.1	0	114.6
616	L	26.4	Very low	28.6	Very low	159 Å²	159	148.9 Å²	148.9	83%	0.832	79%	0.788	S	S	*	*				178.2	157.5	122.3	-112.5	62.3	0	0	0	106.6
617	V	30.6	Very low	28.8	Very low	132 Å²	132	150.7 Å²	150.7	80%	0.8	79%	0.792	S	S	*	*			cis	-146.1	152.7	41.8	170.4	0	0	0	0	111.9
618	T	32.4	Very low	28.9	Very low	119 Å²	119	148 Å²	148	73%	0.73	80%	0.796	S	S	*	*			trans	-64.4	141.8	-172.7	52	0	0	0	0	120.5
619	N	25.6	Very low	29.1	Very low	155 Å²	155	148.1 Å²	148.1	83%	0.829	80%	0.797	S	S	*	*			trans	20.6	129.7	142.7	-70.9	-5.8	0	0	0	122.4
620	K	29.9	Very low	29.2	Very low	205 Å²	205	147.8 Å²	147.8	89%	0.891	80%	0.798	S	S	*	*			trans	-172.4	144.9	136.2	-103.7	179.6	174.8	179.4	0	110.8
621	D	33.4	Very low	29.3	Very low	106 Å²	106	146.9 Å²	146.9	57%	0.567	80%	0.8	S	S	*	*			cis	-155.5	144.6	-33.4	-147.2	10.2	0	0	0	110.7
622	K	30.5	Very low	29.4	Very low	162 Å²	162	142 Å²	142	70%	0.704	79%	0.792	S	S	*	*			trans	50.5	120	145.8	-77.8	167.5	-156.9	146.2	0	124.7
623	C	26.1	Very low	29.7	Very low	111 Å²	111	140 Å²	140	75%	0.75	79%	0.787	S	S	*	*				97.4	151.6	119.5	-72.8	0	0	0	0	121.7
624	K	32.5	Very low	29.5	Very low	202 Å²	202	138.5 Å²	138.5	88%	0.878	78%	0.783	S	S	*	*			trans	82.5	129.6	179	-55.4	175.1	-177.6	176.3	0	113.1
625	V	29.8	Very low	29.6	Very low	138 Å²	138	142.9 Å²	142.9	84%	0.836	78%	0.782	S	S	*	*			cis	-135.7	155.4	4.9	-178.4	0	0	0	0	110.1
626	N	27.6	Very low	29.8	Very low	149 Å²	149	137.7 Å²	137.7	80%	0.797	77%	0.771	S	S	*	*			trans	-99.8	168.5	178.7	-71.8	-9.5	0	0	0	113.7
627	H	30.8	Very low	29.8	Very low	165 Å²	165	134.9 Å²	134.9	76%	0.764	77%	0.765	S	S	*	*				117	93.9	129	-141.9	-70.8	0	0	0	119.7
628	A	32.3	Very low	29.7	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	76%	0.763	S	S	*	*			trans	-162.3	95.8	147.5	0	0	0	0	0	108
629	L	29.4	Very low	29.7	Very low	130 Å²	130	137 Å²	137	68%	0.681	77%	0.77	S	S	*	*				52.6	104.6	104.1	-116.8	71.7	0	0	0	113.5
630	E	26.8	Very low	29.8	Very low	184 Å²	184	135.8 Å²	135.8	86%	0.86	76%	0.764	S	S	*	*				76	93.9	52	-63.6	-165.3	143.3	0	0	116
631	A	32.1	Very low	30.1	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	76%	0.76	S	S	*	*			trans	169.5	143.6	153.9	0	0	0	0	0	108
632	S	30.4	Very low	30.1	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	77%	0.77	S	S	*	*			cis	-146.3	122.2	-14.2	-85.5	0	0	0	0	107.1
633	V	30.5	Very low	30.3	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	77%	0.77	S	S	*	*				68.8	124.6	96.2	174.8	0	0	0	0	114.6
634	A	26	Very low	30.8	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	78%	0.776	S	S	*	*			trans	-89.3	141	176.1	0	0	0	0	0	113.1
635	Q	32.3	Very low	30.7	Very low	169 Å²	169	133.8 Å²	133.8	79%	0.79	77%	0.77	S	S	*	*			trans	-173.8	148.7	165.5	-104.4	141.4	95.5	0	0	105.4
636	S	30.3	Very low	30.9	Very low	89 Å²	89	133.6 Å²	133.6	62%	0.622	76%	0.764	S	S	*	*			cis	162	120.5	-10.4	48.2	0	0	0	0	103.6
637	S	26.2	Very low	31.2	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	77%	0.768	S	S	*	*			trans	37.8	143.4	149.4	55.9	0	0	0	0	122.8
638	T	28.2	Very low	31.3	Very low	124 Å²	124	135.8 Å²	135.8	76%	0.761	77%	0.771	S	S	*	*			trans	66.6	108.5	153.5	48.8	0	0	0	0	119.8
639	L	33	Very low	31.2	Very low	170 Å²	170	138.6 Å²	138.6	89%	0.89	77%	0.773	S	S	*	*				-151.4	129.5	119.9	-120.6	146.8	0	0	0	110.5
640	N	27.8	Very low	31.4	Very low	131 Å²	131	141.5 Å²	141.5	70%	0.701	78%	0.78	S	S	*	*			trans	-92.2	153.4	172	-64.7	-56.6	0	0	0	109.4
641	N	36	Very low	31.8	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	78%	0.781	S	S	*	*				-173.9	119.6	128.2	-92.3	-31.6	0	0	0	113.8
642	L	33.3	Very low	31.7	Very low	149 Å²	149	143 Å²	143	78%	0.78	78%	0.779	S	S	*	*			trans	1.2	168.2	140.8	-85.2	70.8	0	0	0	121.3
643	P	34.8	Very low	31.8	Very low	108 Å²	108	145.7 Å²	145.7	70%	0.701	78%	0.78	S	S	*	*			cis	-143.3	166	-23.7	36.6	-18.9	0	0	0	115.9
644	N	35.9	Very low	32	Very low	165 Å²	165	147 Å²	147	88%	0.882	78%	0.778	S	S	*	*				-153.1	163.1	128.2	-136.7	-28.3	0	0	0	112
645	K	32.4	Very low	32.2	Very low	172 Å²	172	149.5 Å²	149.5	75%	0.748	78%	0.778	S	S	*	*			trans	-141.4	148.8	-161.4	-107	-169	171.3	179.9	0	116.7
646	N	33.2	Very low	31.9	Very low	134 Å²	134	148.5 Å²	148.5	72%	0.717	78%	0.776	S	S	*	*			trans	65.7	97.4	146.4	-64.4	16.1	0	0	0	120.8
647	K	34.3	Very low	31.8	Very low	203 Å²	203	153.1 Å²	153.1	88%	0.883	79%	0.788	S	S	*	*			trans	-169.6	139.9	133.4	-105.1	177	179.2	179.6	0	107.6
648	L	31.9	Very low	32	Very low	156 Å²	156	156.2 Å²	156.2	82%	0.817	80%	0.795	S	S	*	*			cis	-152.2	138.8	-7	-179.9	67.5	0	0	0	108
649	D	30.2	Very low	31.9	Very low	154 Å²	154	161.7 Å²	161.7	82%	0.824	80%	0.801	S	S	*	*			trans	-73.6	137.9	-174	-52.8	-87.7	0	0	0	114.6
650	K	34.2	Very low	31.6	Very low	191 Å²	191	158.2 Å²	158.2	83%	0.83	79%	0.791	S	S	*	*			trans	-163.7	150.3	141.7	-112.5	173.8	-175.8	-174.1	0	112.3
651	E	34.9	Very low	31.7	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	79%	0.788	S	S	*	*			trans	68.6	71.3	167.4	-67.2	172.6	-154.5	0	0	117
652	T	30.6	Very low	31.4	Very low	126 Å²	126	157.6 Å²	157.6	77%	0.773	78%	0.783	S	S	*	*			trans	-81	172.9	155.5	47.8	0	0	0	0	112.3
653	H	32.4	Very low	31	Very low	161 Å²	161	158.5 Å²	158.5	75%	0.745	78%	0.783	S	S	*	*			trans	79.4	134.7	-175.7	-68.7	-112.3	0	0	0	114.5
654	E	33.7	Very low	30.7	Very low	155 Å²	155	159.9 Å²	159.9	72%	0.724	79%	0.785	S	S	*	*			cis	-149.2	143	14.2	-140	151.6	-129.4	0	0	114.6
655	L	30.2	Very low	30.5	Very low	144 Å²	144	160.7 Å²	160.7	75%	0.754	79%	0.785	S	S	*	*			trans	15.6	138.7	147.1	-51.3	174.4	0	0	0	120.6
656	I	26.4	Very low	30.2	Very low	147 Å²	147	159.1 Å²	159.1	75%	0.754	78%	0.781	S	S	*	*			cis	71.8	130.2	37.4	-60.5	-178.6	0	0	0	114.8
657	Q	28.1	Very low	29.9	Very low	186 Å²	186	160.5 Å²	160.5	87%	0.869	78%	0.783	S	S	*	*			trans	70.9	140.3	-166.7	-60.2	168.3	13.9	0	0	111.7
658	I	30.7	Very low	29.6	Very low	167 Å²	167	158.4 Å²	158.4	86%	0.856	78%	0.78	S	S	*	*			cis	-119.8	149.7	37.5	-69.2	160	0	0	0	113.7
659	R	25.9	Very low	29.4	Very low	239 Å²	239	154.7 Å²	154.7	90%	0.902	77%	0.772	S	S	*	*			trans	-128.9	153.2	161.7	-171.4	-177.8	-169.7	176.5	5	107.5
660	S	27.4	Very low	29.1	Very low	97 Å²	97	152.8 Å²	152.8	68%	0.678	77%	0.769	S	S	*	*			trans	90.8	155.1	164.6	-146.7	0	0	0	0	118.8
661	N	29.9	Very low	28.9	Very low	117 Å²	117	151.4 Å²	151.4	63%	0.626	77%	0.771	S	S	*	*			trans	75	107.9	168.4	-61.8	52.7	0	0	0	115.6
662	E	27.9	Very low	28.5	Very low	150 Å²	150	147.9 Å²	147.9	70%	0.701	77%	0.767	S	S	*	*				84.7	106.4	73.9	-78.6	167.5	168.3	0	0	111
663	Q	26.7	Very low	28.7	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	76%	0.761	S	S	*	*				96.2	151.6	83	-88.6	-169.2	-22.1	0	0	112.4
664	D	26.8	Very low	28.4	Very low	138 Å²	138	149.8 Å²	149.8	74%	0.738	77%	0.766	S	S	*	*			trans	61.5	137.5	-175.9	-57.9	-26.9	0	0	0	115.6
665	M	31.6	Very low	27.9	Very low	181 Å²	181	149.7 Å²	149.7	89%	0.892	77%	0.771	S	S	*	*			cis	-132.6	158.8	43.8	-82.2	-80.9	-74.2	0	0	114.8
666	Q	27.6	Very low	27.8	Very low	139 Å²	139	148.5 Å²	148.5	65%	0.65	77%	0.773	S	S	*	*			trans	-113.1	154.7	-179	-60.1	-172.5	8.5	0	0	113.9
667	Q	25.8	Very low	27.8	Very low	164 Å²	164	150 Å²	150	77%	0.766	78%	0.777	S	S	*	*			trans	66.5	154.5	159.4	-62.8	167.9	53.8	0	0	114.6
668	I	28.8	Very low	27.9	Very low	158 Å²	158	149.4 Å²	149.4	81%	0.81	78%	0.776	S	S	*	*			cis	-150.5	139.9	46.5	-78.5	172.3	0	0	0	112.7
669	A	26.9	Very low	27.7	Very low	79 Å²	79	147.6 Å²	147.6	65%	0.653	77%	0.768	S	S	*	*			trans	34.3	114.7	149.4	0	0	0	0	0	124.1
670	C	24.4	Very low	27.9	Very low	114 Å²	114	142 Å²	142	77%	0.77	77%	0.766	S	S	*	*				81.6	145.3	115.8	-63.5	0	0	0	0	124.4
671	N	29	Very low	27.9	Very low	161 Å²	161	141.8 Å²	141.8	86%	0.861	76%	0.764	S	S	*	*			trans	86.7	113.8	155.4	-60	-14.6	0	0	0	120.4
672	S	27	Very low	27.8	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	77%	0.766	S	S	*	*			trans	-94.3	-174.6	164.1	-144	0	0	0	0	109.5
673	P	34.4	Very low	27.9	Very low	100 Å²	100	144.2 Å²	144.2	65%	0.649	77%	0.773	S	S	*	*			cis	-129.1	176.3	-14.3	30.9	-10.7	0	0	0	113.8
674	R	26.2	Very low	27.8	Very low	227 Å²	227	147.4 Å²	147.4	86%	0.857	78%	0.778	S	S	*	*				159.1	162.8	125	-88.2	179.4	179.7	176.5	1.4	114.4
675	D	24.9	Very low	27.9	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	78%	0.782	S	S	*	*			trans	-62.4	144.7	-173.5	-48.3	-95.1	0	0	0	114.7
676	C	27.3	Very low	27.8	Very low	120 Å²	120	145.5 Å²	145.5	81%	0.811	77%	0.773	S	S	*	*			trans	-149	80.5	164.8	-124.9	0	0	0	0	110.9	M678	C676-M678 PolarHBondContact O-N 3.13Å
677	H	25.8	Very low	27.9	Very low	177 Å²	177	144.7 Å²	144.7	82%	0.819	77%	0.773	S	S	*	*			trans	-67	115.3	166.2	-105.8	-65.1	0	0	0	109.5
678	M	31.3	Very low	27.9	Very low	174 Å²	174	147.4 Å²	147.4	86%	0.857	78%	0.776	S	S	*	*			trans	-125.5	101.3	163.9	-83.4	-66.3	154.4	0	0	110.1	C676	C676-M678 PolarHBondContact O-N 3.13Å
679	N	25.7	Very low	28	Very low	129 Å²	129	148.9 Å²	148.9	69%	0.69	78%	0.777	S	S	*	*			trans	-105.7	84.5	-173.3	-167.5	-7.4	0	0	0	110.3	S681	N679-S681 VanDerWaalsContact C-N 3.27Å; N679-S681 PolarHBondContact O-N 2.81Å; N679-S681 PolarHBondContact OD1-OG 2.79Å
680	S	31.4	Very low	28.1	Very low	123 Å²	123	150.3 Å²	150.3	86%	0.86	78%	0.782	S	S	*	*			trans	-84.1	59.5	-178.1	47.2	0	0	0	0	113.1	S682	S680-S682 PolarHBondContact O-N 2.95Å
681	S	27	Very low	28.5	Very low	92 Å²	92	150.6 Å²	150.6	64%	0.643	78%	0.783	S	S	*	*			trans	-70.9	119.9	175.3	-77.1	0	0	0	0	113.1	N679	N679-S681 VanDerWaalsContact C-N 3.27Å; N679-S681 PolarHBondContact O-N 2.81Å; N679-S681 PolarHBondContact OD1-OG 2.79Å
682	S	27.3	Very low	28.5	Very low	93 Å²	93	150.9 Å²	150.9	65%	0.65	78%	0.783	S	S	*	*			trans	-164.4	129.1	150.7	-100.6	0	0	0	0	116.4	S680	S680-S682 PolarHBondContact O-N 2.95Å
683	R	29.8	Very low	28.4	Very low	225 Å²	225	150.1 Å²	150.1	85%	0.849	78%	0.777	S	S	*	*			trans	64.8	103.2	147.9	-55.8	162.8	-157.4	-132.1	0.7	115.6
684	R	25.2	Very low	28.2	Very low	235 Å²	235	151 Å²	151	89%	0.887	79%	0.785	S	S	*	*				55.3	114	71.2	-64	-173.5	180	176.8	1.6	114.4
685	I	29.7	Very low	28.2	Very low	161 Å²	161	145.2 Å²	145.2	83%	0.826	78%	0.78	S	S	*	*			trans	171.6	98.3	133.4	-90.5	154.7	0	0	0	105.1
686	V	28.2	Very low	28.7	Very low	117 Å²	117	144.2 Å²	144.2	71%	0.709	78%	0.782	S	S	*	*				93.6	131.9	76.5	158.1	0	0	0	0	112.8
687	N	29.3	Very low	28.8	Very low	123 Å²	123	150.2 Å²	150.2	66%	0.658	79%	0.787	S	S	*	*			trans	76	104.8	164.1	-77.2	-23.5	0	0	0	122
688	R	26.3	Very low	29.5	Very low	220 Å²	220	146.8 Å²	146.8	83%	0.83	78%	0.781	S	S	*	*				73	145.4	114.3	-71.9	175.8	169.8	-173	-4.9	121.5
689	K	31	Very low	29.7	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.826	78%	0.779	S	S	*	*			trans	80.9	99.9	152.4	-81.5	-170	174.1	-166.5	0	119.8
690	S	28.6	Very low	29.9	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	78%	0.783	S	S	*	*			trans	66.6	152.2	132.4	42.2	0	0	0	0	120.2
691	P	33.5	Very low	29.9	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	78%	0.779	S	S	*	*			trans	-91.7	168.5	-170	38.2	-37.4	0	0	0	113.3
692	I	28.9	Very low	29.9	Very low	168 Å²	168	146 Å²	146	86%	0.862	78%	0.782	S	S	*	*			trans	-168.6	158.1	139.5	-102	154.4	0	0	0	110.7
693	S	25.3	Very low	30	Very low	98 Å²	98	148.7 Å²	148.7	69%	0.685	79%	0.787	S	S	*	*			trans	-37.3	163.6	-174.4	60.3	0	0	0	0	121.8
694	S	29.1	Very low	29.9	Very low	117 Å²	117	147 Å²	147	82%	0.818	79%	0.786	S	S	*	*			trans	118.3	122.8	132.4	74.2	0	0	0	0	119.1
695	S	27.8	Very low	30	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	78%	0.775	S	S	*	*			trans	-80.1	164	162.5	59.4	0	0	0	0	110.5
696	P	33.5	Very low	30.1	Very low	132 Å²	132	138.8 Å²	138.8	86%	0.857	77%	0.769	S	S	*	*				-151	-156.8	67.7	41	-18.3	0	0	0	116.6
697	R	30.2	Very low	30.2	Very low	245 Å²	245	140.5 Å²	140.5	93%	0.925	77%	0.773	S	S	*	*			trans	-93.3	174	-160	-99.9	-172.1	174.9	-154.7	1.1	116.2
698	P	41	Very low	30.5	Very low	106 Å²	106	139.4 Å²	139.4	69%	0.688	77%	0.773	S	S	*	*			trans	-101.8	179.9	-171.3	41.8	-38.3	0	0	0	115.4
699	P	34.3	Very low	30.7	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	77%	0.769	S	S	*	*			trans	-103.6	-178.7	170.5	39	-32.3	0	0	0	115.2
700	V	30	Very low	30.7	Very low	128 Å²	128	133.4 Å²	133.4	78%	0.776	77%	0.765	S	S	*	*			trans	-143.9	150.7	-160.2	173.2	0	0	0	0	114	I702	V700-I702 HydrophobicContact CG1-CG1 4.27Å
701	S	31.9	Very low	30.9	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	76%	0.762	S	S	*	*			trans	-154.8	126.9	157.2	47.2	0	0	0	0	108.7
702	I	26.9	Very low	30.6	Very low	139 Å²	139	133.6 Å²	133.6	71%	0.713	77%	0.768	S	S	*	*			cis	68.9	117.2	48.3	-43.3	163.6	0	0	0	110.4	V700	V700-I702 HydrophobicContact CG1-CG1 4.27Å
703	I	30.5	Very low	30.8	Very low	148 Å²	148	129.3 Å²	129.3	76%	0.759	77%	0.765	S	S	*	*				-172.6	136.1	89.6	-81.1	172.1	0	0	0	112
704	K	26.6	Very low	31.3	Very low	190 Å²	190	129.7 Å²	129.7	83%	0.826	77%	0.768	S	S	*	*			trans	20.9	155.4	138.3	-60.4	179.4	-179	179	0	121.9
705	S	27.7	Very low	31.4	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	77%	0.772	S	S	*	*			cis	179.8	171.3	-1.2	45.8	0	0	0	0	113.9
706	N	30.7	Very low	31.6	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	77%	0.773	S	S	*	*			trans	86.6	110	149.7	-65.1	-13.8	0	0	0	123.2
707	L	31	Very low	31.4	Very low	153 Å²	153	134.4 Å²	134.4	80%	0.801	78%	0.776	S	S	*	*				53.3	162.3	110.9	-62.5	167.5	0	0	0	121.9
708	P	36.9	Very low	31.7	Very low	99 Å²	99	128 Å²	128	64%	0.643	77%	0.766	S	S	*	*				-146.6	-167.7	-52.1	43.1	-24.3	0	0	0	115.6
709	L	29.1	Very low	31	Very low	143 Å²	143	127.3 Å²	127.3	75%	0.749	76%	0.764	S	S	*	*			trans	90.6	138.4	150.3	-73.5	166	0	0	0	124.2
710	N	30.7	Very low	30.8	Very low	142 Å²	142	129 Å²	129	76%	0.759	76%	0.761	S	S	*	*			trans	72.8	146	149.6	-67.2	-14.9	0	0	0	120.9
711	S	33	Very low	30.7	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	76%	0.759	S	S	*	*			cis	-168.1	145.3	-9.8	48.8	0	0	0	0	114.9
712	C	27.8	Very low	30.4	Very low	134 Å²	134	129.2 Å²	129.2	91%	0.905	75%	0.75	S	S	*	*			trans	40.6	135.8	146.5	-58.9	0	0	0	0	123.9
713	G	34	Very low	30.5	Very low	77 Å²	77	129.9 Å²	129.9	79%	0.794	76%	0.755	S	S	*	*			trans	-179.7	82.9	166.3	0	0	0	0	0	118.2
714	S	35.2	Very low	30.4	Very low	106 Å²	106	127 Å²	127	74%	0.741	75%	0.749	S	S	*	*			trans	-38.4	167.9	162	51.5	0	0	0	0	118.5
715	N	30	Very low	30.4	Very low	169 Å²	169	122.7 Å²	122.7	90%	0.904	74%	0.742	S	S	*	*			cis	-172.4	155	-13.2	-99.4	-27	0	0	0	108.5
716	G	32.2	Very low	30.4	Very low	75 Å²	75	129.3 Å²	129.3	77%	0.773	75%	0.753	S	S	*	*			trans	-177.1	147.9	170.7	0	0	0	0	0	114.6
717	K	29.6	Very low	30.2	Very low	211 Å²	211	132.9 Å²	132.9	92%	0.917	76%	0.758	S	S	*	*			trans	-144.7	173.6	-173.6	-101.2	-161.7	172.8	179.1	0	113
718	P	36.6	Very low	30.3	Very low	110 Å²	110	131.6 Å²	131.6	71%	0.714	76%	0.759	S	S	*	*			trans	-118.9	-161.4	-141.5	46.2	-39	0	0	0	116
719	S	26.6	Very low	29.8	Very low	93 Å²	93	132.8 Å²	132.8	65%	0.65	76%	0.764	S	S	*	*			trans	102.5	164	153.8	74.4	0	0	0	0	119.4
720	H	30.8	Very low	29.7	Very low	159 Å²	159	135.1 Å²	135.1	74%	0.736	77%	0.768	S	S	*	*			trans	72.7	147.8	178.7	-65.3	-87.3	0	0	0	117.7
721	Q	27.1	Very low	29.5	Very low	159 Å²	159	133.6 Å²	133.6	74%	0.743	77%	0.768	S	S	*	*			cis	-163.6	161.7	-28	-147.8	169.9	-15.3	0	0	111.7
722	S	25.1	Very low	29.3	Very low	85 Å²	85	135.5 Å²	135.5	59%	0.594	78%	0.776	S	S	*	*			trans	2	136.6	159.5	56.5	0	0	0	0	123.1
723	N	29.3	Very low	29.2	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	77%	0.766	S	S	*	*			trans	160.7	156.3	132.2	-84.4	-14.2	0	0	0	111.7
724	S	28.8	Very low	29	Very low	89 Å²	89	139.9 Å²	139.9	62%	0.622	77%	0.77	S	S	*	*			cis	-175	140.8	-20.9	52	0	0	0	0	111.5
725	S	25.4	Very low	28.6	Very low	98 Å²	98	142.8 Å²	142.8	69%	0.685	77%	0.77	S	S	*	*			trans	61	159.9	162.9	58.8	0	0	0	0	117.6
726	W	29.2	Very low	28.6	Very low	232 Å²	232	141.2 Å²	141.2	88%	0.879	76%	0.761	S	S	*	*			cis	-136.6	161.5	18.1	-76.8	68.2	0	0	0	113.5
727	Y	26.2	Very low	28.7	Very low	206 Å²	206	145 Å²	145	81%	0.808	76%	0.764	S	S	*	*			trans	-124.9	162.8	158.1	-95.9	-84.4	0	0	0	108
728	P	33	Very low	28.6	Very low	126 Å²	126	141.4 Å²	141.4	82%	0.818	76%	0.755	S	S	*	*				-145.4	166.3	109.2	37.7	-23.1	0	0	0	115.7
729	T	25.4	Very low	28.2	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	76%	0.759	S	S	*	*			trans	-105.5	159.8	-179.6	51	0	0	0	0	113.2
730	K	28.5	Very low	28.1	Very low	192 Å²	192	146 Å²	146	84%	0.835	76%	0.763	S	S	*	*			trans	-166.7	124	149.5	-105.4	160.5	-176	-176.6	0	108.4
731	C	25.1	Very low	28	Very low	111 Å²	111	145.1 Å²	145.1	75%	0.75	77%	0.769	S	S	*	*				74.1	140.8	96	-64.1	0	0	0	0	113.5
732	T	29.5	Very low	27.9	Very low	138 Å²	138	146.3 Å²	146.3	85%	0.847	77%	0.766	S	S	*	*			cis	-149.8	172.2	15.1	-20.1	0	0	0	0	113.1
733	I	24.8	Very low	27.9	Very low	136 Å²	136	148.5 Å²	148.5	70%	0.697	77%	0.767	S	S	*	*			trans	-75	149.4	179.2	-64	153.2	0	0	0	111.6	K735	I733-K735 HydrophobicContact CG2-CG 4.24Å
734	N	30.8	Very low	28	Very low	166 Å²	166	149.3 Å²	149.3	89%	0.888	77%	0.765	S	S	*	*			trans	-139.8	159.1	134.9	-116	-3.4	0	0	0	110.3
735	K	27.1	Very low	27.8	Very low	167 Å²	167	150.7 Å²	150.7	73%	0.726	77%	0.766	S	S	*	*			trans	-128	-176.5	-177.3	-81.8	-172.3	173.3	-175.6	0	109.9	I733	I733-K735 HydrophobicContact CG2-CG 4.24Å
736	D	30.4	Very low	28.1	Very low	136 Å²	136	153.6 Å²	153.6	73%	0.727	77%	0.768	S	S	*	*			trans	76.5	142.7	169.1	-43	-40.1	0	0	0	112
737	D	33	Very low	28.2	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	76%	0.76	S	S	*	*			cis	-115	164.5	17.5	-79.4	-58.6	0	0	0	116.2
738	N	27.2	Very low	28.2	Very low	134 Å²	134	149 Å²	149	72%	0.717	76%	0.763	S	S	*	*			trans	-109	133.4	163.9	-69.2	-93.4	0	0	0	110.1
739	V	30.1	Very low	28.4	Very low	134 Å²	134	147.6 Å²	147.6	81%	0.812	75%	0.754	S	S	*	*			trans	-134.2	106.2	156.6	-176.8	0	0	0	0	110.2
740	F	23.4	Very low	28.7	Very low	165 Å²	165	148.5 Å²	148.5	72%	0.724	76%	0.755	S	S	*	*			trans	-89.4	133.2	162.3	-95.3	-99.8	0	0	0	109.3
741	V	29.4	Very low	28.8	Very low	142 Å²	142	143.7 Å²	143.7	86%	0.861	75%	0.75	S	S	*	*			trans	-132.9	146.8	147.6	-176.8	0	0	0	0	107.6
742	R	24.1	Very low	29.1	Very low	184 Å²	184	146.4 Å²	146.4	69%	0.694	76%	0.757	S	S	*	*			trans	-146.6	141.2	-160.6	-141.9	-173	-174.6	177.2	2.7	110.2
743	H	26.5	Very low	28.9	Very low	130 Å²	130	145.9 Å²	145.9	60%	0.602	75%	0.749	S	S	*	*			trans	60	136.2	168	-56.9	-70.7	0	0	0	118.5	D745	H743-D745 IonicContact ND1-OD2 3.81Å
744	H	30.8	Very low	29.2	Very low	169 Å²	169	149.1 Å²	149.1	78%	0.782	76%	0.758	S	S	*	*				-159.1	125.3	97.9	-117	-79.7	0	0	0	112.7
745	D	24.6	Very low	29	Very low	118 Å²	118	144.5 Å²	144.5	63%	0.631	74%	0.739	S	S	*	*			trans	-94.9	140.9	174.1	-59.6	-85.5	0	0	0	111.4	H743	H743-D745 IonicContact ND1-OD2 3.81Å
746	H	31.8	Very low	29.3	Very low	160 Å²	160	144.2 Å²	144.2	74%	0.741	74%	0.74	S	S	*	*			trans	-151.8	105.6	152.4	-79.1	-59.9	0	0	0	107.5
747	Q	30.6	Very low	29.3	Very low	153 Å²	153	142.9 Å²	142.9	72%	0.715	74%	0.736	S	S	*	*				74.8	93.9	71	-71.3	-175	-24.3	0	0	115.8
748	H	27.1	Very low	29	Very low	187 Å²	187	145.2 Å²	145.2	87%	0.866	73%	0.734	S	S	*	*				58.4	177.7	128.7	-77	-56.1	0	0	0	120.2
749	P	36.1	Very low	29.2	Very low	97 Å²	97	148 Å²	148	63%	0.63	73%	0.734	S	S	*	*			cis	-128.5	-163.8	-4.6	30.5	-7.4	0	0	0	114.7
750	N	31.5	Very low	29.3	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	73%	0.73	S	S	*	*			trans	96.7	105.8	162.4	-52.7	-28.1	0	0	0	115.1
751	A	31.5	Very low	29.6	Very low	90 Å²	90	148.6 Å²	148.6	74%	0.744	73%	0.726	S	S	*	*				85.5	136.5	70	0	0	0	0	0	111.6
752	L	30.7	Very low	29.8	Very low	169 Å²	169	148.9 Å²	148.9	89%	0.885	72%	0.723	S	S	*	*			cis	-122.4	159.5	30.1	-73.7	155.2	0	0	0	115.2
753	D	25.5	Very low	30.1	Very low	126 Å²	126	147.4 Å²	147.4	67%	0.674	73%	0.729	S	S	*	*			trans	-129.3	142.7	167.6	169	27.2	0	0	0	107.1
754	F	30.2	Very low	30.5	Very low	204 Å²	204	151.4 Å²	151.4	90%	0.895	74%	0.744	S	S	*	*			trans	-155.7	128.6	155.5	-109.5	-67.5	0	0	0	111.7
755	S	27.6	Very low	30.3	Very low	69 Å²	69	152.3 Å²	152.3	48%	0.483	75%	0.749	S	S	.	*			trans	-120.7	-162.7	-172.9	58.4	0	0	0	0	111.2
756	H	32.9	Very low	30.7	Very low	162 Å²	162	155.4 Å²	155.4	75%	0.75	76%	0.76	S	S	*	*			trans	84.2	148.5	169.7	-60.2	3.4	0	0	0	116
757	T	30.5	Very low	30.5	Very low	107 Å²	107	154.2 Å²	154.2	66%	0.656	76%	0.757	S	S	*	*			cis	-159	135.5	-4.2	17.2	0	0	0	0	108.2
758	R	27.6	Very low	30.4	Very low	205 Å²	205	154 Å²	154	77%	0.774	76%	0.759	S	S	*	*				87.7	122.4	60	-165.1	-165.8	-156.9	172.1	10	113.4
759	R	30.5	Very low	30.4	Very low	194 Å²	194	149.1 Å²	149.1	73%	0.732	75%	0.746	S	S	*	*			trans	120.9	119.8	164.6	-70.8	169.7	174.1	165.9	-0.9	113.7
760	R	31.5	Very low	30.1	Very low	191 Å²	191	150.7 Å²	150.7	72%	0.721	75%	0.749	S	S	*	*				87	137.1	66.2	-74.8	-166.1	-41.6	169.8	4	111.7
761	D	30.1	Very low	30	Very low	119 Å²	119	150.5 Å²	150.5	64%	0.636	75%	0.747	S	S	*	*			cis	-160.9	-165.7	-8.3	-83.8	-30.6	0	0	0	108
762	D	34.8	Very low	30.2	Very low	149 Å²	149	153 Å²	153	80%	0.797	75%	0.748	S	S	*	*			trans	86.5	84.7	153.6	-53.3	-28	0	0	0	121.4
763	D	30.2	Very low	30.4	Very low	153 Å²	153	151.8 Å²	151.8	82%	0.818	74%	0.742	S	S	*	*			trans	15.8	137.2	133.5	-50.9	-20.8	0	0	0	122.9
764	K	33.9	Very low	31.1	Very low	213 Å²	213	154 Å²	154	93%	0.926	75%	0.754	S	S	*	*				-167.1	156.7	123.7	-108.5	155.6	-170	167.6	0	115.7
765	E	27.5	Very low	31.3	Very low	188 Å²	188	150.1 Å²	150.1	88%	0.879	74%	0.743	S	S	*	*			trans	-89.2	158.3	178.3	-55.3	170.3	118	0	0	112.5
766	E	31.9	Very low	31.7	Very low	184 Å²	184	153.1 Å²	153.1	86%	0.86	75%	0.753	S	S	*	*			trans	151.3	151.5	145	-87.5	-172.9	172.2	0	0	109.3
767	I	28	Very low	31.6	Very low	134 Å²	134	151.3 Å²	151.3	69%	0.687	75%	0.749	S	S	*	*			cis	174.4	156.2	-28.4	-112.9	178.3	0	0	0	104.7
768	I	28.8	Very low	31.8	Very low	148 Å²	148	152.1 Å²	152.1	76%	0.759	75%	0.749	S	S	*	*			trans	78.6	95.9	162.2	-83.3	163	0	0	0	120.9
769	S	26.4	Very low	32.1	Very low	85 Å²	85	146.9 Å²	146.9	59%	0.594	74%	0.744	S	S	*	*				71.9	158	115.4	82	0	0	0	0	125.9
770	N	30.8	Very low	32.1	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	74%	0.741	S	S	*	*			trans	84.9	121.1	163.9	-52.5	-21	0	0	0	115.2
771	I	30.1	Very low	32.2	Very low	139 Å²	139	141.6 Å²	141.6	71%	0.713	74%	0.74	S	S	*	*			cis	86.4	150.8	38.9	-56.5	163.6	0	0	0	111.8
772	D	35	Very low	32.3	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	74%	0.741	S	S	*	*			trans	102.1	89.9	-175.9	-55.4	-7.7	0	0	0	110.9
773	D	34.1	Very low	32.3	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	74%	0.744	S	S	*	*				78.4	116.7	69.3	-80.9	-18.4	0	0	0	114.1
774	D	40.1	Very low	32.4	Very low	173 Å²	173	145.1 Å²	145.1	93%	0.925	75%	0.747	S	S	*	*			trans	-153.3	132	145.4	-122.8	-24.6	0	0	0	108
775	N	34.2	Very low	32.4	Very low	123 Å²	123	143 Å²	143	66%	0.658	75%	0.745	S	S	*	*			trans	-156.6	163	-158	-161.6	1.9	0	0	0	112
776	N	35.8	Very low	32.5	Very low	131 Å²	131	138.8 Å²	138.8	70%	0.701	74%	0.737	S	S	*	*			trans	69.8	154.6	179.3	-43.8	-54.1	0	0	0	113.6
777	N	32.3	Very low	32.4	Very low	125 Å²	125	139.9 Å²	139.9	67%	0.668	74%	0.742	S	S	*	*			cis	-162.7	176.2	-7.8	-114.7	19.7	0	0	0	107.4
778	D	34.1	Very low	32.4	Very low	123 Å²	123	136.8 Å²	136.8	66%	0.658	74%	0.743	S	S	*	*			cis	-160.9	146.6	14.6	-126.8	-39	0	0	0	110.7
779	S	33.2	Very low	32.4	Very low	95 Å²	95	137.7 Å²	137.7	66%	0.664	75%	0.749	S	S	*	*			trans	59.1	149.5	148	74.9	0	0	0	0	121.9
780	N	31.7	Very low	32.4	Very low	124 Å²	124	139.9 Å²	139.9	66%	0.663	76%	0.759	S	S	*	*			cis	-165	161.2	-10.6	-116.8	22.4	0	0	0	111.7
781	E	32.6	Very low	32.4	Very low	151 Å²	151	140.4 Å²	140.4	71%	0.706	76%	0.762	S	S	*	*			trans	63.7	139.2	144.8	-69.7	175.4	-118.1	0	0	120.5
782	N	33.1	Very low	32.3	Very low	124 Å²	124	141.3 Å²	141.3	66%	0.663	77%	0.767	S	S	*	*			cis	-145.1	145.4	-8.4	-77.1	-48.3	0	0	0	107
783	E	33.5	Very low	31.9	Very low	183 Å²	183	142.8 Å²	142.8	86%	0.855	77%	0.769	S	S	*	*				40.7	136.9	79.7	-58.2	-159.9	149.6	0	0	114.7
784	E	33.8	Very low	31.6	Very low	187 Å²	187	144 Å²	144	87%	0.874	77%	0.77	S	S	*	*			cis	-123.5	156.8	17	-55	169	127.3	0	0	110.6
785	D	32.9	Very low	31	Very low	168 Å²	168	139.5 Å²	139.5	90%	0.898	76%	0.764	S	S	*	*				-161	122.7	88.9	-154.7	-2.6	0	0	0	109.2
786	S	29.6	Very low	30.6	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	77%	0.774	S	S	*	*			trans	-122.6	132.9	-162.2	67.4	0	0	0	0	115
787	Q	31	Very low	30.3	Very low	206 Å²	206	143.9 Å²	143.9	96%	0.963	78%	0.779	S	S	*	*			trans	-172.9	128.1	145.7	-112.5	162.4	69.8	0	0	114
788	G	28	Very low	30.1	Very low	69 Å²	69	144 Å²	144	71%	0.711	78%	0.779	S	S	*	*			trans	111.1	97	144.8	0	0	0	0	0	118.5
789	L	29	Very low	29.8	Very low	167 Å²	167	147 Å²	147	87%	0.874	79%	0.792	S	S	*	*			trans	66.4	95.2	144.6	-65.1	160.7	0	0	0	118.5
790	T	26.1	Very low	29.5	Very low	132 Å²	132	148.7 Å²	148.7	81%	0.81	79%	0.789	S	S	*	*			trans	-51.7	141.2	138.7	49.1	0	0	0	0	111.5
791	D	29.5	Very low	29.3	Very low	142 Å²	142	150.8 Å²	150.8	76%	0.759	80%	0.795	S	S	*	*			trans	-156.9	165.7	147.3	-118.1	-28.6	0	0	0	112.5
792	L	29.6	Very low	29.1	Very low	158 Å²	158	155 Å²	155	83%	0.827	81%	0.806	S	S	*	*			trans	-61.6	164.7	-153.6	-84.5	68.7	0	0	0	119.6
793	E	26.2	Very low	28.7	Very low	173 Å²	173	152 Å²	152	81%	0.808	80%	0.798	S	S	*	*	S	Bend	trans	-60.6	178.5	160.4	-58.1	173.6	112.5	0	0	113.4
794	H	26.2	Very low	28.5	Very low	169 Å²	169	150.4 Å²	150.4	78%	0.782	80%	0.801	S	S	*	*			trans	68.1	51.2	173.2	-68.1	-81.4	0	0	0	118.2	L796	H794-L796 PolarHBondContact O-N 3.23Å
795	G	28.5	Very low	28.1	Very low	78 Å²	78	147.2 Å²	147.2	80%	0.804	79%	0.794	S	S	*	*			trans	-83.5	55	169.7	0	0	0	0	0	116.5	F797	G795-F797 PolarHBondContact O-N 2.94Å
796	L	26.2	Very low	28	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	79%	0.792	S	S	*	*			trans	-75.3	86.2	172.6	-92.2	170.2	0	0	0	111.3	H794	H794-L796 PolarHBondContact O-N 3.23Å
797	F	30	Very low	28	Very low	182 Å²	182	147.8 Å²	147.8	80%	0.798	80%	0.795	S	S	*	*			trans	-135.9	105.3	-178.2	-100.5	-89.2	0	0	0	116.1	G795	G795-F797 PolarHBondContact O-N 2.94Å
798	N	27.2	Very low	28	Very low	127 Å²	127	144.4 Å²	144.4	68%	0.679	79%	0.79	S	S	*	*			trans	33	82.6	142.3	-65.7	-26.6	0	0	0	120	H800	N798-H800 PolarHBondContact O-N 2.88Å
799	M	27.8	Very low	28	Very low	186 Å²	186	144.5 Å²	144.5	92%	0.916	79%	0.791	S	S	*	*			trans	-85.8	62.2	145.7	-92.1	-68.7	-74.8	0	0	110.5	Q801	M799-Q801 PolarHBondContact O-N 2.94Å
800	H	27.5	Very low	28.2	Very low	132 Å²	132	143.4 Å²	143.4	61%	0.611	79%	0.792	S	S	*	*			trans	-98.9	40.2	-174.8	-146.8	-57.2	0	0	0	113.8	N798	N798-H800 PolarHBondContact O-N 2.88Å
801	Q	27.2	Very low	28.4	Very low	168 Å²	168	143.6 Å²	143.6	79%	0.785	79%	0.793	S	S	*	*	S	Bend	trans	-126.8	41	175.3	-71.1	-162.2	6.2	0	0	114.1	M799	M799-Q801 PolarHBondContact O-N 2.94Å
802	Y	27.4	Very low	28.7	Very low	239 Å²	239	141.6 Å²	141.6	94%	0.937	79%	0.787	S	S	*	*	S	Bend	trans	-157.6	58.9	153.3	-95	-63.3	0	0	0	110.2
803	A	26.5	Very low	28.7	Very low	60 Å²	60	139.4 Å²	139.4	50%	0.496	78%	0.781	S	S	.	*			trans	-143	77.2	-177.3	0	0	0	0	0	111.4	T805	A803-T805 PolarHBondContact O-N 3.2Å
804	T	28.5	Very low	28.8	Very low	150 Å²	150	138.1 Å²	138.1	92%	0.92	78%	0.78	S	S	*	*			trans	-80.9	112.1	175.5	-18.6	0	0	0	0	110
805	T	25.9	Very low	29	Very low	120 Å²	120	135 Å²	135	74%	0.736	78%	0.777	S	S	*	*			trans	-74.2	137.7	-176.1	43.7	0	0	0	0	113.7	A803	A803-T805 PolarHBondContact O-N 3.2Å
806	V	30.2	Very low	28.9	Very low	140 Å²	140	136.4 Å²	136.4	85%	0.848	77%	0.774	S	S	*	*			trans	-143	122.3	138.8	-174.9	0	0	0	0	110.7
807	N	30.2	Very low	29	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	77%	0.774	S	S	*	*			trans	-18.2	147.4	170	-51.1	-29.9	0	0	0	120.7
808	P	29.4	Very low	28.7	Very low	134 Å²	134	134.4 Å²	134.4	87%	0.87	77%	0.772	S	S	*	*			trans	-83.3	159	169.1	36.3	-35.6	0	0	0	113.4
809	G	28.7	Very low	28.7	Very low	71 Å²	71	134 Å²	134	73%	0.732	78%	0.778	S	S	*	*			trans	116.8	84.6	151.4	0	0	0	0	0	118
810	T	33	Very low	28.6	Very low	145 Å²	145	129.6 Å²	129.6	89%	0.89	77%	0.766	S	S	*	*				-169.1	138.5	126.5	26.6	0	0	0	0	110.6
811	T	30.9	Very low	28.5	Very low	135 Å²	135	129.5 Å²	129.5	83%	0.828	78%	0.78	S	S	*	*			trans	-127.1	179.2	167.4	59.4	0	0	0	0	107.3
812	P	35.9	Very low	28.3	Very low	100 Å²	100	128 Å²	128	65%	0.649	78%	0.775	S	S	*	*			cis	-134.4	-159.9	2.9	41.1	-21.3	0	0	0	113.7
813	T	29.3	Very low	28.2	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.693	77%	0.774	S	S	*	*			trans	66.2	133.7	161.2	50.7	0	0	0	0	117.2
814	D	29.2	Very low	28	Very low	145 Å²	145	128.4 Å²	128.4	78%	0.775	77%	0.774	S	S	*	*			cis	-156.3	179.9	7.1	-108.2	-30	0	0	0	113.2
815	S	30.4	Very low	27.8	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	77%	0.771	S	S	*	*			trans	78.5	72.5	165.8	66.3	0	0	0	0	120.2
816	S	26.6	Very low	27.7	Very low	106 Å²	106	129 Å²	129	74%	0.741	77%	0.767	S	S	*	*				43	100	125.8	62.9	0	0	0	0	120.9
817	F	28	Very low	27.4	Very low	194 Å²	194	131.1 Å²	131.1	85%	0.851	77%	0.768	S	S	*	*				-133.5	134.1	127.4	-110	-87.7	0	0	0	108.4
818	C	23.9	Very low	27.1	Very low	111 Å²	111	128.4 Å²	128.4	75%	0.75	76%	0.76	S	S	*	*			trans	-108.7	94.8	-170.8	-166.8	0	0	0	0	111.4
819	S	26.9	Very low	26.9	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	75%	0.75	S	S	*	*			trans	-97	85.7	161.7	42	0	0	0	0	108.7	S821	S819-S821 PolarHBondContact O-N 2.89Å
820	S	25.9	Very low	26.7	Very low	94 Å²	94	131 Å²	131	66%	0.657	75%	0.749	S	S	*	*			trans	-53.8	121.3	-175.6	-66.1	0	0	0	0	112.5	M822	S820-M822 PolarHBondContact O-N 3.2Å
821	S	24.1	Very low	26.2	Very low	130 Å²	130	127.8 Å²	127.8	91%	0.909	73%	0.731	S	S	*	*			trans	-71.1	77.9	167.4	56.8	0	0	0	0	110	S819	S819-S821 PolarHBondContact O-N 2.89Å
822	M	23.3	Very low	25.9	Very low	137 Å²	137	125.4 Å²	125.4	68%	0.675	72%	0.72	S	S	*	*			trans	-134	59.5	176	-165.1	174.9	143.4	0	0	110.8	S820 C824	S820-M822 PolarHBondContact O-N 3.2Å; M822-C824 HydrophobicContact CE-CB 4.46Å; M822-C824 HydrophobicContact CG-CB 4.34Å; M822-C824 PolarHBondContact O-N 2.92Å; M822-C824 VanDerWaalsContact O-N 3.13Å
823	Y	25.6	Very low	25.5	Very low	237 Å²	237	127 Å²	127	93%	0.929	72%	0.722	S	S	*	*			trans	-73.2	81.9	137.6	-81.8	-74.5	0	0	0	107
824	C	22.1	Very low	25.3	Very low	71 Å²	71	127.8 Å²	127.8	48%	0.48	72%	0.722	S	S	.	*			trans	-56.7	148.7	152.9	-87	0	0	0	0	108	M822 E826	M822-C824 HydrophobicContact CE-CB 4.46Å; M822-C824 HydrophobicContact CG-CB 4.34Å; M822-C824 PolarHBondContact O-N 2.92Å; M822-C824 VanDerWaalsContact O-N 3.13Å; C824-E826 HydrophobicContact CB-CG 4.3Å; C824-E826 PolarHBondContact O-N 2.9Å
825	V	24.2	Very low	25.2	Very low	143 Å²	143	128.8 Å²	128.8	87%	0.867	72%	0.719	S	S	*	*			trans	-71.6	77.2	153.1	-176.7	0	0	0	0	106
826	E	23.5	Very low	25	Very low	138 Å²	138	130.8 Å²	130.8	65%	0.645	72%	0.722	S	S	*	*			trans	-69.5	129.8	148.8	-70.1	-166.2	163	0	0	106.1	C824 S828	C824-E826 HydrophobicContact CB-CG 4.3Å; C824-E826 PolarHBondContact O-N 2.9Å; E826-S828 PolarHBondContact O-N 3.18Å
827	E	23.5	Very low	25	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	71%	0.711	S	S	*	*			trans	-70.7	59	153.3	-63.8	179.5	129.9	0	0	107.6	E829	E827-E829 PolarHBondContact O-N 2.89Å
828	S	24.6	Very low	25	Very low	84 Å²	84	127 Å²	127	59%	0.587	71%	0.708	S	S	*	*			trans	-69	89.5	177.4	64.4	0	0	0	0	106.4	E826 T830	E826-S828 PolarHBondContact O-N 3.18Å; S828-T830 PolarHBondContact O-N 3.05Å; S828-T830 VanDerWaalsContact O-N 3.14Å
829	E	24.9	Very low	25.4	Very low	142 Å²	142	127.7 Å²	127.7	66%	0.664	70%	0.703	S	S	*	*			trans	-41.2	124.1	174.4	-59.6	177.9	98.5	0	0	108.3	E827 P831 K900	E827-E829 PolarHBondContact O-N 2.89Å; E829-P831 VanDerWaalsContact O-CD 3.26Å; E829-P831 WeakPolarHBondContact O-CD 3.38Å; E829-P831 VanDerWaalsContact O-N 3.12Å; E829-K900 IonicContact OE1-NZ 2.8Å; E829-K900 PolarHBondContact OE1-NZ 2.84Å; E829-K900 IonicContact OE2-NZ 3.55Å; E829-K900 PolarHBondContact OE2-NZ 3.06Å
830	T	24.6	Very low	25.4	Very low	118 Å²	118	129.8 Å²	129.8	72%	0.724	71%	0.705	S	S	*	*			trans	-57	123.5	152.9	43.1	0	0	0	0	105.1	S828 S832	S828-T830 PolarHBondContact O-N 3.05Å; S828-T830 VanDerWaalsContact O-N 3.14Å; T830-S832 VanDerWaalsContact C-N 3.33Å; T830-S832 PolarHBondContact O-N 3.13Å
831	P	22.9	Very low	25.6	Very low	77 Å²	77	130.3 Å²	130.3	50%	0.5	71%	0.708	S	S	.	*			trans	-59.9	110.9	164.5	26.9	-31.7	0	0	0	104.1	E829 L833	E829-P831 VanDerWaalsContact O-CD 3.26Å; E829-P831 WeakPolarHBondContact O-CD 3.38Å; E829-P831 VanDerWaalsContact O-N 3.12Å; P831-L833 HydrophobicContact CB-CD1 4.41Å; P831-L833 HydrophobicContact CB-CG 4.2Å; P831-L833 HydrophobicContact CG-CD1 4.33Å; P831-L833 PolarHBondContact O-N 2.65Å
832	S	25.7	Very low	25.9	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	70%	0.703	S	S	*	*			trans	-77.2	51.3	-170.1	57.1	0	0	0	0	110.8	T830 L834 K835	T830-S832 VanDerWaalsContact C-N 3.33Å; T830-S832 PolarHBondContact O-N 3.13Å; S832-L834 PolarHBondContact O-N 3.22Å; S832-K835 PolarHBondContact O-N 3.26Å
833	L	26.6	Very low	26.1	Very low	134 Å²	134	131.5 Å²	131.5	70%	0.702	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	108.9	175.9	-66.7	170.7	0	0	0	107.3	P831	P831-L833 HydrophobicContact CB-CD1 4.41Å; P831-L833 HydrophobicContact CB-CG 4.2Å; P831-L833 HydrophobicContact CG-CD1 4.33Å; P831-L833 PolarHBondContact O-N 2.65Å
834	L	25.5	Very low	26.1	Very low	129 Å²	129	125.3 Å²	125.3	68%	0.675	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.5	38.8	-177.7	-48.7	173.4	0	0	0	116.2	S832 N836	S832-L834 PolarHBondContact O-N 3.22Å; L834-N836 WeakPolarHBondContact CD2-ND2 3.18Å; L834-N836 PolarHBondContact O-N 3.25Å
835	K	26.7	Very low	26.7	Very low	166 Å²	166	131.1 Å²	131.1	72%	0.722	71%	0.711	S	S	*	*				-73.4	77.3	126.6	-99.4	-159.9	174.6	-170.8	0	108.9	S832 S837	S832-K835 PolarHBondContact O-N 3.26Å; K835-S837 PolarHBondContact O-N 3.34Å
836	N	26.9	Very low	26.8	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	70%	0.701	S	S	*	*			trans	-73.8	66.6	166.9	-92.8	-4.6	0	0	0	109.4	L834	L834-N836 WeakPolarHBondContact CD2-ND2 3.18Å; L834-N836 PolarHBondContact O-N 3.25Å
837	S	26.5	Very low	27	Very low	75 Å²	75	129.2 Å²	129.2	52%	0.524	71%	0.706	S	S	.	*			trans	-154.7	53.9	179.9	67.8	0	0	0	0	110.7	K835	K835-S837 PolarHBondContact O-N 3.34Å
838	D	27	Very low	27.2	Very low	146 Å²	146	125.5 Å²	125.5	78%	0.781	70%	0.699	S	S	*	*	S	Bend	trans	-152.7	129.6	155.8	-105.1	-33.2	0	0	0	112
839	I	31.7	Very low	27.3	Very low	125 Å²	125	127.4 Å²	127.4	64%	0.641	71%	0.708	S	S	*	*			trans	61.7	71.5	146.5	-51	169.5	0	0	0	115.9	S841	I839-S841 VanDerWaalsContact CG2-OG 3.25Å; I839-S841 WeakPolarHBondContact CG2-OG 3.39Å; I839-S841 PolarHBondContact O-N 3.21Å
840	N	28.4	Very low	27.3	Very low	161 Å²	161	124.9 Å²	124.9	86%	0.861	71%	0.706	S	S	*	*			trans	-83	74.2	134.2	-93.8	-33.1	0	0	0	108.2	E842	N840-E842 PolarHBondContact O-N 3.13Å
841	S	29.2	Very low	27.4	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	71%	0.71	S	S	*	*			trans	-77.8	64.9	171	57.6	0	0	0	0	110.8	I839	I839-S841 VanDerWaalsContact CG2-OG 3.25Å; I839-S841 WeakPolarHBondContact CG2-OG 3.39Å; I839-S841 PolarHBondContact O-N 3.21Å
842	E	30.3	Very low	27.8	Very low	174 Å²	174	129 Å²	129	81%	0.813	72%	0.717	S	S	*	*			trans	-136.2	47.9	-178.6	-148.4	173.2	-129.8	0	0	113.4	N840	N840-E842 PolarHBondContact O-N 3.13Å
843	L	28.5	Very low	27.8	Very low	118 Å²	118	131.9 Å²	131.9	62%	0.618	72%	0.721	S	S	*	*			trans	-158.6	110.7	144.8	-102	151.1	0	0	0	105.8
844	C	25.3	Very low	27.9	Very low	107 Å²	107	134.6 Å²	134.6	72%	0.723	73%	0.728	S	S	*	*				58.1	38.4	59.6	-72.7	0	0	0	0	115	S846	C844-S846 WeakPolarHBondContact O-CB 3.19Å
845	E	33.6	Very low	28.1	Very low	194 Å²	194	135.1 Å²	135.1	91%	0.907	73%	0.727	S	S	*	*				-94.8	91.8	124	-65.1	-167.5	152.1	0	0	106.2
846	S	27.1	Very low	28.3	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	73%	0.732	S	S	*	*			cis	80.5	139.6	40.5	-159.5	0	0	0	0	113.4	C844	C844-S846 WeakPolarHBondContact O-CB 3.19Å
847	I	27.8	Very low	28.7	Very low	149 Å²	149	133.6 Å²	133.6	76%	0.764	73%	0.732	S	S	*	*			trans	64.7	77.7	179	-48.3	-178.5	0	0	0	112.5
848	C	27.6	Very low	28.9	Very low	107 Å²	107	135.7 Å²	135.7	72%	0.723	74%	0.744	S	S	*	*				94	154.5	86	-80.6	0	0	0	0	113
849	T	27.1	Very low	29.2	Very low	124 Å²	124	134.6 Å²	134.6	76%	0.761	74%	0.743	S	S	*	*			trans	24.5	134.4	146.9	58.6	0	0	0	0	119.6
850	S	25.3	Very low	29.2	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	75%	0.754	S	S	*	*			cis	159.1	153.4	3.3	48.7	0	0	0	0	105.7
851	L	26.8	Very low	29.1	Very low	156 Å²	156	132.6 Å²	132.6	82%	0.817	75%	0.749	S	S	*	*			trans	67	154.3	173.7	-49.2	162	0	0	0	112.3
852	I	30.5	Very low	29.2	Very low	125 Å²	125	133.4 Å²	133.4	64%	0.641	75%	0.754	S	S	*	*			cis	-144.7	128.8	-4	-127.5	155.8	0	0	0	105
853	E	26.3	Very low	29.2	Very low	148 Å²	148	129.7 Å²	129.7	69%	0.692	75%	0.748	S	S	*	*				51.6	112.1	106.7	-161.8	176	-127.7	0	0	114.5
854	F	28.2	Very low	29.3	Very low	191 Å²	191	132 Å²	132	84%	0.838	76%	0.755	S	S	*	*			trans	-165.8	157.2	130.8	-114.9	-77.5	0	0	0	112
855	Q	29.7	Very low	29.5	Very low	140 Å²	140	134.5 Å²	134.5	65%	0.654	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-70.1	149.3	-163.3	-83.6	77.4	-4.3	0	0	116.7
856	L	31.8	Very low	29.6	Very low	160 Å²	160	134 Å²	134	84%	0.838	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.7	148.9	-71.2	164.3	0	0	0	109.8
857	P	33.8	Very low	29.8	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.2	176.6	27.4	-33.7	0	0	0	110.8
858	P	31.4	Very low	30	Very low	120 Å²	120	138 Å²	138	78%	0.779	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-76.4	153.5	179.2	31.8	-35.3	0	0	0	111.9
859	T	32.8	Very low	30.2	Very low	123 Å²	123	138.2 Å²	138.2	76%	0.755	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.6	136.6	170.2	42.9	0	0	0	0	111.3	S861	T859-S861 PolarHBondContact O-N 3.12Å
860	P	32.7	Very low	30.5	Very low	135 Å²	135	139.7 Å²	139.7	88%	0.877	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77	116.2	171.7	30	-32.1	0	0	0	110.4
861	S	26.2	Very low	30.9	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	76%	0.76	S	S	*	*			trans	-138.7	89.1	172.7	52.8	0	0	0	0	112.6	T859	T859-S861 PolarHBondContact O-N 3.12Å
862	S	29.7	Very low	31.1	Very low	120 Å²	120	139.9 Å²	139.9	84%	0.839	77%	0.765	S	S	*	*			trans	-163.6	143.1	162	60.5	0	0	0	0	106.8
863	S	30.2	Very low	31.3	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	77%	0.77	S	S	*	*			cis	-141.2	167.4	9.9	56.2	0	0	0	0	107.9
864	H	32	Very low	31.4	Very low	167 Å²	167	141 Å²	141	77%	0.773	78%	0.778	S	S	*	*			cis	-140.5	140	33	-101	-88.4	0	0	0	112.8
865	N	28.8	Very low	31.7	Very low	159 Å²	159	137.3 Å²	137.3	85%	0.85	77%	0.77	S	S	*	*			trans	-86.5	141.9	147.8	-99.2	-40.9	0	0	0	108.7
866	Q	35.5	Very low	31.8	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	77%	0.77	S	S	*	*			trans	-107.5	131.3	155.8	-73	-167.5	1.8	0	0	109.4
867	D	30.7	Very low	31.6	Very low	118 Å²	118	138.1 Å²	138.1	63%	0.631	77%	0.77	S	S	*	*			trans	-19.8	145.1	171.2	-97.4	8.4	0	0	0	119.9
868	R	32.9	Very low	31.6	Very low	209 Å²	209	138.1 Å²	138.1	79%	0.789	77%	0.773	S	S	*	*			trans	81.5	141.9	138.6	-73.4	170.3	-143.8	-153.2	6.6	120.7
869	T	32.1	Very low	31.5	Very low	111 Å²	111	140.2 Å²	140.2	68%	0.681	78%	0.777	S	S	*	*			cis	-171.7	155.4	-23.8	13.9	0	0	0	0	111.9
870	I	32.7	Very low	31.6	Very low	155 Å²	155	139.6 Å²	139.6	80%	0.795	78%	0.778	S	S	*	*			trans	81.7	131.1	139.6	-73.7	163.1	0	0	0	122.2
871	A	34.9	Very low	31.5	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	77%	0.773	S	S	*	*			trans	83.1	85.7	147.8	0	0	0	0	0	124.3
872	N	31	Very low	31.9	Very low	171 Å²	171	140.5 Å²	140.5	91%	0.914	78%	0.776	S	S	*	*				47.5	123.3	106.5	-58.2	-4.7	0	0	0	123.6
873	G	34.6	Very low	32.1	Very low	74 Å²	74	141.8 Å²	141.8	76%	0.763	77%	0.773	S	S	*	*			trans	156.9	95.9	152.5	0	0	0	0	0	111.3
874	R	28.4	Very low	32.3	Very low	223 Å²	223	145 Å²	145	84%	0.842	78%	0.782	S	S	*	*				86.9	143.7	61.7	-171.4	176.6	179.2	153.5	7.6	113.2
875	V	33.2	Very low	32.3	Very low	112 Å²	112	142.9 Å²	142.9	68%	0.679	78%	0.783	S	S	*	*			trans	90.2	92.5	179.6	-173.2	0	0	0	0	111.4
876	E	31.6	Very low	32.7	Very low	139 Å²	139	140.3 Å²	140.3	65%	0.65	78%	0.778	S	S	*	*				79.7	104	88	-73.1	159.7	-139.1	0	0	111.8
877	E	29.1	Very low	32.9	Very low	179 Å²	179	137.1 Å²	137.1	84%	0.836	77%	0.773	S	S	*	*				88.3	112	86.4	-86.5	-165.3	-163.1	0	0	115
878	S	32.9	Very low	33.5	Very low	120 Å²	120	134.8 Å²	134.8	84%	0.839	76%	0.764	S	S	*	*			trans	-173.2	152.1	134.6	31.7	0	0	0	0	110.7
879	N	29.5	Very low	34.6	Very low	163 Å²	163	128.1 Å²	128.1	87%	0.872	75%	0.75	S	S	*	*			trans	-110.7	155.9	-169.2	-52.4	-75.1	0	0	0	112.4
880	S	34.2	Very low	35.7	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	75%	0.752	S	S	*	*			trans	-157.5	111.8	143.7	61.3	0	0	0	0	112.9
881	D	31.5	Very low	37.2	Very low	147 Å²	147	127.6 Å²	127.6	79%	0.786	74%	0.744	S	S	*	*			trans	51.5	96.3	144	-53.1	-22.4	0	0	0	120.8
882	S	34.5	Very low	38.2	Very low	116 Å²	116	129 Å²	129	81%	0.811	74%	0.736	S	S	*	*			trans	-115.9	121.9	146.8	55.6	0	0	0	0	109.7
883	N	33.3	Very low	39.5	Very low	147 Å²	147	124.7 Å²	124.7	79%	0.786	71%	0.712	S	S	*	*			trans	-124.9	89.7	179.8	-84	-64.8	0	0	0	110.3
884	L	34.7	Very low	40.8	Very low	163 Å²	163	127.8 Å²	127.8	85%	0.853	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-98.6	138.3	156.2	-92.4	77	0	0	0	108.6	S886	L884-S886 PolarHBondContact O-N 3.45Å
885	P	32.2	Very low	42.5	Very low	124 Å²	124	123.3 Å²	123.3	81%	0.805	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-69.9	129.6	176.6	28.7	-33.1	0	0	0	110.9
886	S	36.2	Very low	43.7	Very low	105 Å²	105	122 Å²	122	73%	0.734	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-64.9	147.9	169.2	54.2	0	0	0	0	111.2	L884	L884-S886 PolarHBondContact O-N 3.45Å
887	P	41.2	Very low	44.9	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-60.2	151.5	178.7	25.9	-35.1	0	0	0	112.3
888	P	42.5	Very low	46.9	Very low	69 Å²	69	122.1 Å²	122.1	45%	0.448	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-63.2	149.4	-178.5	25.2	-34.3	0	0	0	112.7	F892 L893	P888-F892 HydrophobicContact CB-CB 4.13Å; P888-F892 HydrophobicContact CB-CD1 3.46Å; P888-F892 VanDerWaalsContact CB-CD1 3.46Å; P888-F892 HydrophobicContact CB-CE1 4.2Å; P888-F892 HydrophobicContact CB-CG 4.11Å; P888-F892 HydrophobicContact CG-CD1 4.35Å; P888-L893 HydrophobicContact CG-CD2 3.99Å; P888-L893 HydrophobicContact CG-CG 4.3Å
889	S	56.1	Low	48.3	Very low	70 Å²	70	123.7 Å²	123.7	49%	0.49	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-68.8	157.9	175.7	67.4	0	0	0	0	112.2	D891 F892 L893	S889-D891 PolarHBondContact O-N 3.2Å; S889-F892 WeakPolarHBondContact O-CB 3.36Å; S889-F892 PolarHBondContact O-N 2.8Å; S889-F892 PolarHBondContact OG-N 2.91Å; S889-L893 PolarHBondContact O-N 3.25Å
890	N	56.1	Low	49.8	Very low	135 Å²	135	119.3 Å²	119.3	72%	0.722	64%	0.636	S	S	*	*	H	α-helix	trans	-56.1	-34.1	173.7	-81.3	-23.8	0	0	0	112.5	F892 L893 H894	N890-F892 VanDerWaalsContact C-N 3.35Å; N890-F892 PolarHBondContact O-N 3.39Å; N890-L893 PolarHBondContact O-N 3.49Å; N890-H894 VanDerWaalsContact O-CB 3.29Å; N890-H894 WeakPolarHBondContact O-CB 3.35Å; N890-H894 PolarHBondContact O-N 2.95Å
891	D	62.7	Low	51.3	Low	119 Å²	119	119.3 Å²	119.3	64%	0.636	63%	0.627	S	S	*	*	H	α-helix	trans	-64.7	-36.6	174.3	-75.3	-20	0	0	0	112.5	S889 H894 Q895	S889-D891 PolarHBondContact O-N 3.2Å; D891-H894 PolarHBondContact O-N 3.32Å; D891-Q895 WeakPolarHBondContact O-CB 3.46Å; D891-Q895 VanDerWaalsContact O-CG 3.24Å; D891-Q895 WeakPolarHBondContact O-CG 3.38Å; D891-Q895 PolarHBondContact O-N 3.2Å; D891-Q895 PolarHBondContact O-NE2 3.49Å
892	F	56.5	Low	52.8	Low	109 Å²	109	115.8 Å²	115.8	48%	0.478	61%	0.608	S	S	.	*	H	α-helix	trans	-70.5	-41.6	175.6	-173.8	-96.2	0	0	0	111.3	P888 S889 N890 H894 Q895 L896	P888-F892 HydrophobicContact CB-CB 4.13Å; P888-F892 HydrophobicContact CB-CD1 3.46Å; P888-F892 VanDerWaalsContact CB-CD1 3.46Å; P888-F892 HydrophobicContact CB-CE1 4.2Å; P888-F892 HydrophobicContact CB-CG 4.11Å; P888-F892 HydrophobicContact CG-CD1 4.35Å; S889-F892 WeakPolarHBondContact O-CB 3.36Å; S889-F892 PolarHBondContact O-N 2.8Å; S889-F892 PolarHBondContact OG-N 2.91Å; N890-F892 VanDerWaalsContact C-N 3.35Å; N890-F892 PolarHBondContact O-N 3.39Å; F892-H894 VanDerWaalsContact C-N 3.31Å; F892-H894 PolarHBondContact O-N 3.28Å; F892-Q895 PolarHBondContact O-N 3.17Å; F892-L896 HydrophobicContact CD1-CD1 3.81Å; F892-L896 HydrophobicContact CE1-CD1 3.43Å; F892-L896 VanDerWaalsContact CE1-CD1 3.43Å; F892-L896 HydrophobicContact CE1-CG 4.19Å; F892-L896 HydrophobicContact CZ-CD1 4.23Å; F892-L896 WeakPolarHBondContact O-CB 3.38Å; F892-L896 PolarHBondContact O-N 3.13Å
893	L	57.8	Low	53.9	Low	79 Å²	79	112.9 Å²	112.9	41%	0.414	58%	0.584	S	S	.	*	H	α-helix	trans	-63.4	-36.2	173	-66.6	175.9	0	0	0	112.2	P888 S889 N890 L896 R897	P888-L893 HydrophobicContact CG-CD2 3.99Å; P888-L893 HydrophobicContact CG-CG 4.3Å; S889-L893 PolarHBondContact O-N 3.25Å; N890-L893 PolarHBondContact O-N 3.49Å; L893-L896 PolarHBondContact O-N 2.84Å; L893-R897 PolarHBondContact O-N 2.91Å
894	H	62.3	Low	55.4	Low	140 Å²	140	109.5 Å²	109.5	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-73.3	-33.3	176.5	-156.3	-39.8	0	0	0	112.3	N890 D891 F892 K898	N890-H894 VanDerWaalsContact O-CB 3.29Å; N890-H894 WeakPolarHBondContact O-CB 3.35Å; N890-H894 PolarHBondContact O-N 2.95Å; D891-H894 PolarHBondContact O-N 3.32Å; F892-H894 VanDerWaalsContact C-N 3.31Å; F892-H894 PolarHBondContact O-N 3.28Å; H894-K898 WeakPolarHBondContact O-CB 3.47Å; H894-K898 PolarHBondContact O-N 3.29Å
895	Q	63.9	Low	56.9	Low	129 Å²	129	106.9 Å²	106.9	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-68.2	-41.2	169.7	-76.4	170.2	63.5	0	0	111.7	D891 F892 K898 Y899	D891-Q895 WeakPolarHBondContact O-CB 3.46Å; D891-Q895 VanDerWaalsContact O-CG 3.24Å; D891-Q895 WeakPolarHBondContact O-CG 3.38Å; D891-Q895 PolarHBondContact O-N 3.2Å; D891-Q895 PolarHBondContact O-NE2 3.49Å; F892-Q895 PolarHBondContact O-N 3.17Å; Q895-K898 PolarHBondContact O-N 3.16Å; Q895-Y899 WeakPolarHBondContact O-CB 3.25Å; Q895-Y899 PolarHBondContact O-N 2.74Å
896	L	58.2	Low	58.3	Low	85 Å²	85	107.2 Å²	107.2	45%	0.445	54%	0.536	S	S	.	.	H	α-helix	trans	-61.7	-48	173.6	-97.7	168.6	0	0	0	112.1	F892 L893 K898 Y899 K900	F892-L896 HydrophobicContact CD1-CD1 3.81Å; F892-L896 HydrophobicContact CE1-CD1 3.43Å; F892-L896 VanDerWaalsContact CE1-CD1 3.43Å; F892-L896 HydrophobicContact CE1-CG 4.19Å; F892-L896 HydrophobicContact CZ-CD1 4.23Å; F892-L896 WeakPolarHBondContact O-CB 3.38Å; F892-L896 PolarHBondContact O-N 3.13Å; L893-L896 PolarHBondContact O-N 2.84Å; L896-K898 VanDerWaalsContact C-N 3.3Å; L896-K898 PolarHBondContact O-N 3.25Å; L896-Y899 PolarHBondContact O-N 3.48Å; L896-K900 WeakPolarHBondContact O-CB 3.39Å; L896-K900 PolarHBondContact O-N 3.32Å
897	R	58.2	Low	58.8	Low	193 Å²	193	108 Å²	108	73%	0.728	53%	0.529	S	S	*	.	H	α-helix	trans	-58	-43.3	173.7	-83.1	-175.2	172.2	175.8	-2.6	111.7	L893 K900 L901	L893-R897 PolarHBondContact O-N 2.91Å; R897-K900 PolarHBondContact O-N 3.22Å; R897-L901 WeakPolarHBondContact O-CB 3.3Å; R897-L901 WeakPolarHBondContact O-CG 3.39Å; R897-L901 PolarHBondContact O-N 3.28Å
898	K	71.1	Confident	59.7	Low	126 Å²	126	108.3 Å²	108.3	55%	0.548	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-47.9	176.6	-174.4	-177.2	173.3	-169	0	111.6	H894 Q895 L896 K900 L901 D902	H894-K898 WeakPolarHBondContact O-CB 3.47Å; H894-K898 PolarHBondContact O-N 3.29Å; Q895-K898 PolarHBondContact O-N 3.16Å; L896-K898 VanDerWaalsContact C-N 3.3Å; L896-K898 PolarHBondContact O-N 3.25Å; K898-K900 VanDerWaalsContact C-N 3.32Å; K898-K900 PolarHBondContact O-N 3.13Å; K898-L901 PolarHBondContact O-N 3.22Å; K898-D902 WeakPolarHBondContact CE-OD2 3.31Å; K898-D902 WeakPolarHBondContact CG-OD2 3.32Å; K898-D902 WeakPolarHBondContact O-CB 3.22Å; K898-D902 PolarHBondContact O-N 2.87Å
899	Y	62.3	Low	60.5	Low	153 Å²	153	109.3 Å²	109.3	60%	0.6	52%	0.523	S	S	*	.	H	α-helix	trans	-61.8	-39.3	179	-175.4	-110	0	0	0	112.2	Q895 L896 D902 N903	Q895-Y899 WeakPolarHBondContact O-CB 3.25Å; Q895-Y899 PolarHBondContact O-N 2.74Å; L896-Y899 PolarHBondContact O-N 3.48Å; Y899-D902 PolarHBondContact O-N 3.09Å; Y899-N903 WeakPolarHBondContact CE1-ND2 3.36Å; Y899-N903 VanDerWaalsContact CZ-ND2 3.33Å; Y899-N903 VanDerWaalsContact O-CB 3.3Å; Y899-N903 WeakPolarHBondContact O-CB 3.38Å; Y899-N903 PolarHBondContact O-N 2.89Å; Y899-N903 PolarHBondContact O-ND2 3.24Å
900	K	60.9	Low	60.1	Low	71 Å²	71	108 Å²	108	31%	0.309	51%	0.514	S	S	.	.	H	α-helix	trans	-65.5	-43.5	175.2	-166.5	161.8	179.4	167	0	111.7	E829 L896 R897 K898 N903 E904	E829-K900 IonicContact OE1-NZ 2.8Å; E829-K900 PolarHBondContact OE1-NZ 2.84Å; E829-K900 IonicContact OE2-NZ 3.55Å; E829-K900 PolarHBondContact OE2-NZ 3.06Å; L896-K900 WeakPolarHBondContact O-CB 3.39Å; L896-K900 PolarHBondContact O-N 3.32Å; R897-K900 PolarHBondContact O-N 3.22Å; K898-K900 VanDerWaalsContact C-N 3.32Å; K898-K900 PolarHBondContact O-N 3.13Å; K900-N903 PolarHBondContact O-N 3.05Å; K900-E904 WeakPolarHBondContact O-CB 3.43Å; K900-E904 WeakPolarHBondContact O-CG 3.48Å; K900-E904 PolarHBondContact O-N 3.46Å
901	L	64.6	Low	59.6	Low	111 Å²	111	106.2 Å²	106.2	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-65.8	-42.6	173.7	-74.4	167.4	0	0	0	113.1	R897 K898 N903 E904 K905	R897-L901 WeakPolarHBondContact O-CB 3.3Å; R897-L901 WeakPolarHBondContact O-CG 3.39Å; R897-L901 PolarHBondContact O-N 3.28Å; K898-L901 PolarHBondContact O-N 3.22Å; L901-N903 VanDerWaalsContact C-N 3.31Å; L901-N903 PolarHBondContact O-N 2.8Å; L901-E904 PolarHBondContact O-N 3.12Å; L901-K905 WeakPolarHBondContact O-CB 3.42Å; L901-K905 PolarHBondContact O-N 3.48Å
902	D	64.4	Low	58.7	Low	72 Å²	72	104.1 Å²	104.1	39%	0.385	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-35.2	177.5	-75.5	-27.6	0	0	0	110.8	K898 Y899 Q906	K898-D902 WeakPolarHBondContact CE-OD2 3.31Å; K898-D902 WeakPolarHBondContact CG-OD2 3.32Å; K898-D902 WeakPolarHBondContact O-CB 3.22Å; K898-D902 PolarHBondContact O-N 2.87Å; Y899-D902 PolarHBondContact O-N 3.09Å; D902-Q906 WeakPolarHBondContact O-CG 3.29Å; D902-Q906 PolarHBondContact O-N 3.07Å
903	N	57.6	Low	57.9	Low	56 Å²	56	105.1 Å²	105.1	30%	0.299	50%	0.498	S	S	.	.	H	α-helix	trans	-74.7	-42.5	174.1	-74.1	-15.6	0	0	0	113.4	Y899 K900 L901 K905 Q906 M907	Y899-N903 WeakPolarHBondContact CE1-ND2 3.36Å; Y899-N903 VanDerWaalsContact CZ-ND2 3.33Å; Y899-N903 VanDerWaalsContact O-CB 3.3Å; Y899-N903 WeakPolarHBondContact O-CB 3.38Å; Y899-N903 PolarHBondContact O-N 2.89Å; Y899-N903 PolarHBondContact O-ND2 3.24Å; K900-N903 PolarHBondContact O-N 3.05Å; L901-N903 VanDerWaalsContact C-N 3.31Å; L901-N903 PolarHBondContact O-N 2.8Å; N903-K905 PolarHBondContact O-N 3.18Å; N903-Q906 PolarHBondContact O-N 2.93Å; N903-M907 WeakPolarHBondContact O-CB 3.45Å; N903-M907 WeakPolarHBondContact O-CG 3.47Å; N903-M907 PolarHBondContact O-N 2.89Å
904	E	64.8	Low	57.1	Low	75 Å²	75	107.5 Å²	107.5	35%	0.35	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-37.7	172.6	-78.3	-179.2	172	0	0	110.9	K900 L901 M907 L908	K900-E904 WeakPolarHBondContact O-CB 3.43Å; K900-E904 WeakPolarHBondContact O-CG 3.48Å; K900-E904 PolarHBondContact O-N 3.46Å; L901-E904 PolarHBondContact O-N 3.12Å; E904-M907 PolarHBondContact O-N 2.9Å; E904-L908 WeakPolarHBondContact O-CB 3.46Å; E904-L908 WeakPolarHBondContact O-CG 3.35Å; E904-L908 PolarHBondContact O-N 3.07Å
905	K	66.5	Low	56	Low	109 Å²	109	104.4 Å²	104.4	47%	0.474	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-49.5	171.8	-177	-175	167.8	-166.2	0	111.7	L901 N903 M907 L908 E909	L901-K905 WeakPolarHBondContact O-CB 3.42Å; L901-K905 PolarHBondContact O-N 3.48Å; N903-K905 PolarHBondContact O-N 3.18Å; K905-M907 VanDerWaalsContact C-N 3.3Å; K905-M907 PolarHBondContact O-N 2.91Å; K905-L908 PolarHBondContact O-N 3.18Å; K905-L908 VanDerWaalsContact O-N 3.16Å; K905-E909 WeakPolarHBondContact CE-OE1 3.33Å; K905-E909 VanDerWaalsContact CE-OE2 3.23Å; K905-E909 WeakPolarHBondContact CE-OE2 3.4Å; K905-E909 HydrophobicContact CG-CG 4.32Å; K905-E909 IonicContact NZ-OE1 3.07Å; K905-E909 WeakPolarHBondContact O-CB 3.43Å; K905-E909 WeakPolarHBondContact O-CG 3.44Å; K905-E909 PolarHBondContact O-N 2.81Å
906	Q	60.8	Low	54.6	Low	130 Å²	130	101.6 Å²	101.6	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-60.3	-38.5	175.6	-80.4	-171.3	-0.2	0	0	112.4	D902 N903 E909 S910	D902-Q906 WeakPolarHBondContact O-CG 3.29Å; D902-Q906 PolarHBondContact O-N 3.07Å; N903-Q906 PolarHBondContact O-N 2.93Å; Q906-E909 PolarHBondContact O-N 3.46Å; Q906-S910 VanDerWaalsContact O-CB 3.29Å; Q906-S910 WeakPolarHBondContact O-CB 3.33Å; Q906-S910 PolarHBondContact O-N 3.34Å; Q906-S910 PolarHBondContact O-OG 3.35Å
907	M	47.4	Very low	53.3	Low	122 Å²	122	102.1 Å²	102.1	60%	0.601	50%	0.501	S	S	*	.	H	α-helix	trans	-63.6	-40.7	174.4	-78	-80	-78.7	0	0	112	N903 E904 K905 S910 N911	N903-M907 WeakPolarHBondContact O-CB 3.45Å; N903-M907 WeakPolarHBondContact O-CG 3.47Å; N903-M907 PolarHBondContact O-N 2.89Å; E904-M907 PolarHBondContact O-N 2.9Å; K905-M907 VanDerWaalsContact C-N 3.3Å; K905-M907 PolarHBondContact O-N 2.91Å; M907-S910 PolarHBondContact O-OG 2.86Å; M907-N911 WeakPolarHBondContact O-CB 3.47Å; M907-N911 PolarHBondContact O-N 2.97Å; M907-N911 VanDerWaalsContact O-N 3.12Å; M907-N911 PolarHBondContact O-ND2 3.37Å
908	L	58.4	Low	52.1	Low	121 Å²	121	98.9 Å²	98.9	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-71.3	-40.9	175.9	-76	166.7	0	0	0	112.3	E904 K905 N911 L912	E904-L908 WeakPolarHBondContact O-CB 3.46Å; E904-L908 WeakPolarHBondContact O-CG 3.35Å; E904-L908 PolarHBondContact O-N 3.07Å; K905-L908 PolarHBondContact O-N 3.18Å; K905-L908 VanDerWaalsContact O-N 3.16Å; L908-N911 PolarHBondContact O-N 3.46Å; L908-L912 PolarHBondContact O-N 3.17Å
909	E	60.7	Low	50	Low	91 Å²	91	100 Å²	100	43%	0.425	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-46.3	177.4	-73.2	177.4	155.5	0	0	110.8	K905 Q906 N911 L912 E913	K905-E909 WeakPolarHBondContact CE-OE1 3.33Å; K905-E909 VanDerWaalsContact CE-OE2 3.23Å; K905-E909 WeakPolarHBondContact CE-OE2 3.4Å; K905-E909 HydrophobicContact CG-CG 4.32Å; K905-E909 IonicContact NZ-OE1 3.07Å; K905-E909 WeakPolarHBondContact O-CB 3.43Å; K905-E909 WeakPolarHBondContact O-CG 3.44Å; K905-E909 PolarHBondContact O-N 2.81Å; Q906-E909 PolarHBondContact O-N 3.46Å; E909-N911 VanDerWaalsContact C-N 3.33Å; E909-N911 PolarHBondContact O-N 3.37Å; E909-L912 CarbonylContact O-C 3.56Å; E909-L912 WeakPolarHBondContact O-CA 3.4Å; E909-L912 WeakPolarHBondContact O-CB 3.24Å; E909-L912 PolarHBondContact O-N 3.48Å; E909-E913 WeakPolarHBondContact O-CG 3.43Å; E909-E913 PolarHBondContact O-N 2.82Å
910	S	47.3	Very low	48.6	Very low	43 Å²	43	98.5 Å²	98.5	30%	0.301	52%	0.521	S	S	.	.	H	α-helix	trans	-66.1	-32	176.4	68.1	0	0	0	0	113.2	Q906 M907 L912 N914	Q906-S910 VanDerWaalsContact O-CB 3.29Å; Q906-S910 WeakPolarHBondContact O-CB 3.33Å; Q906-S910 PolarHBondContact O-N 3.34Å; Q906-S910 PolarHBondContact O-OG 3.35Å; M907-S910 PolarHBondContact O-OG 2.86Å; S910-L912 VanDerWaalsContact C-N 3.34Å; S910-N914 WeakPolarHBondContact O-CB 3.41Å; S910-N914 PolarHBondContact O-N 2.74Å; S910-N914 PolarHBondContact O-ND2 2.87Å
911	N	45.3	Very low	46.9	Very low	97 Å²	97	101.4 Å²	101.4	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-73.9	-23.7	171.9	-81.4	-68.7	0	0	0	112.7	M907 L908 E909 V915	M907-N911 WeakPolarHBondContact O-CB 3.47Å; M907-N911 PolarHBondContact O-N 2.97Å; M907-N911 VanDerWaalsContact O-N 3.12Å; M907-N911 PolarHBondContact O-ND2 3.37Å; L908-N911 PolarHBondContact O-N 3.46Å; E909-N911 VanDerWaalsContact C-N 3.33Å; E909-N911 PolarHBondContact O-N 3.37Å; N911-V915 VanDerWaalsContact O-CG2 3.3Å; N911-V915 WeakPolarHBondContact O-CG2 3.37Å
912	L	44.2	Very low	45.3	Very low	75 Å²	75	102.4 Å²	102.4	39%	0.393	56%	0.555	S	S	.	*	H	α-helix	trans	-78	-41.2	169	-114	67.7	0	0	0	111.9	L908 E909 S910 V915 N916	L908-L912 PolarHBondContact O-N 3.17Å; E909-L912 CarbonylContact O-C 3.56Å; E909-L912 WeakPolarHBondContact O-CA 3.4Å; E909-L912 WeakPolarHBondContact O-CB 3.24Å; E909-L912 PolarHBondContact O-N 3.48Å; S910-L912 VanDerWaalsContact C-N 3.34Å; L912-V915 PolarHBondContact O-N 2.93Å; L912-V915 VanDerWaalsContact O-N 3.17Å; L912-N916 PolarHBondContact O-N 3.34Å; L912-N916 VanDerWaalsContact O-N 3.09Å; L912-N916 PolarHBondContact O-ND2 3.32Å
913	E	39.9	Very low	43.5	Very low	129 Å²	129	106.8 Å²	106.8	60%	0.603	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-44.8	179.6	-72.4	-179.8	156.3	0	0	111.2	E909 V915 N916 C917	E909-E913 WeakPolarHBondContact O-CG 3.43Å; E909-E913 PolarHBondContact O-N 2.82Å; E913-V915 PolarHBondContact O-N 2.83Å; E913-V915 VanDerWaalsContact O-N 3.09Å; E913-N916 CarbonylContact O-C 3.48Å; E913-N916 PolarHBondContact O-N 3.16Å; E913-C917 PolarHBondContact O-N 3.08Å; E913-C917 PolarHBondContact O-SG 3.03Å
914	N	39.6	Very low	42.2	Very low	129 Å²	129	111.1 Å²	111.1	69%	0.69	60%	0.596	S	S	*	*	H	α-helix	trans	-63.5	-15.1	174.3	-76.2	-61.8	0	0	0	114.2	S910	S910-N914 WeakPolarHBondContact O-CB 3.41Å; S910-N914 PolarHBondContact O-N 2.74Å; S910-N914 PolarHBondContact O-ND2 2.87Å
915	V	40.6	Very low	40.5	Very low	75 Å²	75	113 Å²	113	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-93.9	-17.2	171.9	172.8	0	0	0	0	112.3	N911 L912 E913	N911-V915 VanDerWaalsContact O-CG2 3.3Å; N911-V915 WeakPolarHBondContact O-CG2 3.37Å; L912-V915 PolarHBondContact O-N 2.93Å; L912-V915 VanDerWaalsContact O-N 3.17Å; E913-V915 PolarHBondContact O-N 2.83Å; E913-V915 VanDerWaalsContact O-N 3.09Å
916	N	34.8	Very low	38.7	Very low	70 Å²	70	112.6 Å²	112.6	37%	0.374	62%	0.624	S	S	.	*	H	α-helix	trans	-100.9	-14.7	178	-74.5	-74.3	0	0	0	114.2	S531 L912 E913 T918 L919	S531-N916 PolarHBondContact OG-ND2 3.14Å; S531-N916 PolarHBondContact OG-OD1 3.03Å; L912-N916 PolarHBondContact O-N 3.34Å; L912-N916 VanDerWaalsContact O-N 3.09Å; L912-N916 PolarHBondContact O-ND2 3.32Å; E913-N916 CarbonylContact O-C 3.48Å; E913-N916 PolarHBondContact O-N 3.16Å; N916-T918 PolarHBondContact O-N 3.2Å; N916-L919 PolarHBondContact O-N 3.38Å
917	C	29.9	Very low	37.4	Very low	97 Å²	97	113.3 Å²	113.3	66%	0.655	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	12.6	-178	-78.7	0	0	0	0	116.5	E913	E913-C917 PolarHBondContact O-N 3.08Å; E913-C917 PolarHBondContact O-SG 3.03Å
918	T	32.8	Very low	36.6	Very low	125 Å²	125	114.8 Å²	114.8	77%	0.767	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	0.1	167.9	50.2	0	0	0	0	114	N916	N916-T918 PolarHBondContact O-N 3.2Å
919	L	28.2	Very low	35.3	Very low	149 Å²	149	115 Å²	115	78%	0.78	65%	0.649	S	S	*	*			trans	-129.4	79.7	174.1	-89.1	95.7	0	0	0	113	N916	N916-L919 PolarHBondContact O-N 3.38Å
920	T	31.2	Very low	33.8	Very low	121 Å²	121	112.4 Å²	112.4	74%	0.742	65%	0.646	S	S	*	*			trans	-124.1	104.6	161.7	51.6	0	0	0	0	110.7
921	V	26.2	Very low	33	Very low	132 Å²	132	118.2 Å²	118.2	80%	0.8	67%	0.667	S	S	*	*			trans	-74.7	127.3	173.3	175.6	0	0	0	0	109.7	E923	V921-E923 HydrophobicContact CG1-CG 4.24Å
922	V	31.8	Very low	32.2	Very low	133 Å²	133	116.1 Å²	116.1	81%	0.806	66%	0.659	S	S	*	*			trans	-131.1	99	163.7	-176.9	0	0	0	0	108.6
923	E	25.3	Very low	31.6	Very low	164 Å²	164	117.9 Å²	117.9	77%	0.766	68%	0.678	S	S	*	*			trans	-72.8	135.7	162.1	-59	-178	125.7	0	0	108.9	V921	V921-E923 HydrophobicContact CG1-CG 4.24Å
924	N	31.2	Very low	31.1	Very low	146 Å²	146	122.9 Å²	122.9	78%	0.781	69%	0.691	S	S	*	*			trans	179.8	113.7	139.4	-93.9	-43	0	0	0	114.7
925	T	29.6	Very low	30.6	Very low	116 Å²	116	121.2 Å²	121.2	71%	0.712	69%	0.689	S	S	*	*			trans	55	98.9	135.7	63.5	0	0	0	0	123.5
926	S	27.7	Very low	30.3	Very low	100 Å²	100	126 Å²	126	70%	0.699	70%	0.704	S	S	*	*				80.7	134.4	114.4	72.9	0	0	0	0	125.5
927	N	32.7	Very low	30.1	Very low	145 Å²	145	129 Å²	129	78%	0.775	72%	0.72	S	S	*	*			trans	106.9	81.4	141.6	-57.9	-27	0	0	0	124.3
928	D	31	Very low	30.1	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	72%	0.723	S	S	*	*				46.2	155.6	119.5	-66.4	6.5	0	0	0	129
929	T	31.2	Very low	29.9	Very low	126 Å²	126	137.8 Å²	137.8	77%	0.773	73%	0.73	S	S	*	*			trans	88.7	158	165.4	73.2	0	0	0	0	119.4
930	G	30.2	Very low	29.9	Very low	36 Å²	36	134.2 Å²	134.2	37%	0.371	73%	0.729	S	S	.	*			cis	-157.5	169.3	-0.6	0	0	0	0	0	112.4	P947 Y948	G930-P947 VanDerWaalsContact CA-CD 3.41Å; G930-P947 VanDerWaalsContact CA-CG 3.45Å; G930-P947 VanDerWaalsContact N-CD 3.34Å; G930-Y948 CarbonylContact O-C 3.52Å; G930-Y948 PolarHBondContact O-N 3.44Å
931	F	29.4	Very low	29.8	Very low	165 Å²	165	140.2 Å²	140.2	72%	0.724	74%	0.738	S	S	*	*			cis	-155	73.5	-35	-142.6	-82.7	0	0	0	119.4	P947	F931-P947 VanDerWaalsContact CA-CB 3.46Å; F931-P947 VanDerWaalsContact CA-CG 3.5Å; F931-P947 HydrophobicContact CB-CG 4.15Å; F931-P947 HydrophobicContact CD2-CG 3.58Å; F931-P947 HydrophobicContact CE2-CG 4.14Å; F931-P947 HydrophobicContact CG-CG 4.04Å
932	C	28.8	Very low	29.9	Very low	53 Å²	53	145 Å²	145	36%	0.358	74%	0.742	S	S	.	*			trans	69	149.3	148.5	-79.9	0	0	0	0	124.3
933	S	30.6	Very low	29.7	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	74%	0.739	S	S	*	*			trans	-179.4	149	140.9	-88.7	0	0	0	0	114.8
934	R	29.5	Very low	29.9	Very low	235 Å²	235	143.6 Å²	143.6	89%	0.887	74%	0.741	S	S	*	*			cis	-171.2	163.4	-21.8	-153.1	169.2	-176	-179.4	2.4	111.5
935	S	30.6	Very low	29.7	Very low	94 Å²	94	142.9 Å²	142.9	66%	0.657	74%	0.736	S	S	*	*			trans	85.5	131.1	162.6	-169.5	0	0	0	0	117.9
936	K	33.2	Very low	29.6	Very low	175 Å²	175	143.2 Å²	143.2	76%	0.761	73%	0.733	S	S	*	*			cis	-162	144.9	-6.2	-111.5	168.3	-157.7	165.5	0	111.3
937	N	30.2	Very low	29.6	Very low	132 Å²	132	140 Å²	140	71%	0.706	71%	0.71	S	S	*	*			trans	67.6	140	154.9	-60.6	-26.1	0	0	0	118.7
938	K	31.2	Very low	29.3	Very low	167 Å²	167	142.1 Å²	142.1	73%	0.726	71%	0.708	S	S	*	*			cis	-158.1	132.9	1.2	-112.6	165.1	-175.2	175.2	0	109.9
939	R	28.4	Very low	29.1	Very low	240 Å²	240	140 Å²	140	91%	0.906	69%	0.693	S	S	*	*			trans	46.2	125.5	153.5	-54.2	174	178.2	178.4	-3.1	118.3
940	G	27.2	Very low	28.8	Very low	74 Å²	74	143.6 Å²	143.6	76%	0.763	69%	0.693	S	S	*	*			cis	165.1	150.2	2.7	0	0	0	0	0	107.6
941	R	30.7	Very low	28.7	Very low	248 Å²	248	147.6 Å²	147.6	94%	0.936	72%	0.715	S	S	*	*			cis	-137.5	135.3	44.5	-61.7	169.6	172.8	170.2	-4	112.5
942	R	27.9	Very low	28.5	Very low	233 Å²	233	147 Å²	147	88%	0.879	72%	0.716	S	S	*	*			trans	18.2	146	143.3	-60.2	-175	171.5	178	-4.4	120.6
943	L	27.8	Very low	28.5	Very low	143 Å²	143	150.5 Å²	150.5	75%	0.749	74%	0.739	S	S	*	*			cis	160.4	168.5	-17.5	-102.2	171.5	0	0	0	105.2
944	P	28	Very low	28.2	Very low	124 Å²	124	152.7 Å²	152.7	81%	0.805	73%	0.734	S	S	*	*			cis	-119.4	-177.9	6.2	39.4	-22.9	0	0	0	115.8
945	L	27.2	Very low	28.2	Very low	130 Å²	130	147.1 Å²	147.1	68%	0.681	73%	0.731	S	S	*	*			trans	-134	160.4	-166.9	-90.4	165	0	0	0	111.4
946	L	27.9	Very low	28	Very low	123 Å²	123	148 Å²	148	64%	0.644	73%	0.727	S	S	*	*			trans	70.1	-176	149.2	-81.1	168.3	0	0	0	114
947	P	28.8	Very low	27.8	Very low	32 Å²	32	148.2 Å²	148.2	21%	0.208	73%	0.73	C	S	.	*			cis	-146.2	-158.6	17.6	12.1	21.4	0	0	0	119	G930 F931	G930-P947 VanDerWaalsContact CA-CD 3.41Å; G930-P947 VanDerWaalsContact CA-CG 3.45Å; G930-P947 VanDerWaalsContact N-CD 3.34Å; F931-P947 VanDerWaalsContact CA-CB 3.46Å; F931-P947 VanDerWaalsContact CA-CG 3.5Å; F931-P947 HydrophobicContact CB-CG 4.15Å; F931-P947 HydrophobicContact CD2-CG 3.58Å; F931-P947 HydrophobicContact CE2-CG 4.14Å; F931-P947 HydrophobicContact CG-CG 4.04Å
948	Y	25.7	Very low	27.7	Very low	190 Å²	190	146.7 Å²	146.7	75%	0.745	73%	0.73	S	S	*	*			trans	-145.7	143	-157	175.6	-81.9	0	0	0	110.4	G930	G930-Y948 CarbonylContact O-C 3.52Å; G930-Y948 PolarHBondContact O-N 3.44Å
949	E	25.8	Very low	27.5	Very low	107 Å²	107	144.7 Å²	144.7	50%	0.5	73%	0.728	S	S	.	*			trans	175.5	145.6	141.2	-104.3	-158.9	130.7	0	0	117.7
950	R	26.1	Very low	27.6	Very low	203 Å²	203	143.3 Å²	143.3	77%	0.766	72%	0.722	S	S	*	*			trans	62.3	136.2	151.6	-61.8	172.1	-165	170.9	19	119.2
951	S	28.3	Very low	27.6	Very low	120 Å²	120	144.1 Å²	144.1	84%	0.839	72%	0.716	S	S	*	*			cis	-167.8	162.8	41.3	45.9	0	0	0	0	115.6
952	M	24	Very low	27.3	Very low	151 Å²	151	140 Å²	140	74%	0.744	71%	0.711	S	S	*	*			trans	-55	167	172.8	-81.4	-77.7	171.2	0	0	115.9	K954	M952-K954 HydrophobicContact SD-CG 4.3Å
953	P	28.8	Very low	27.4	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	70%	0.704	S	S	*	*			cis	-144.5	-169.8	40.7	43.8	-23	0	0	0	119.1
954	K	26.1	Very low	27.5	Very low	159 Å²	159	135.3 Å²	135.3	69%	0.691	71%	0.707	S	S	*	*			trans	-104.8	155.3	-173.1	-46.3	169.1	-179.3	176.9	0	113.2	M952 I956	M952-K954 HydrophobicContact SD-CG 4.3Å; K954-I956 HydrophobicContact CB-CD1 4.11Å; K954-I956 HydrophobicContact CB-CG1 4.08Å; K954-I956 HydrophobicContact CD-CD1 4.16Å; K954-I956 HydrophobicContact CD-CG1 4.49Å
955	S	27.6	Very low	27.3	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	70%	0.704	S	S	*	*			trans	-139.7	132.3	135.4	49.1	0	0	0	0	107.1
956	I	26.9	Very low	27.8	Very low	114 Å²	114	133.7 Å²	133.7	59%	0.585	71%	0.707	S	S	*	*			cis	83.1	103.7	24.6	-53.5	177.9	0	0	0	113.6	K954	K954-I956 HydrophobicContact CB-CD1 4.11Å; K954-I956 HydrophobicContact CB-CG1 4.08Å; K954-I956 HydrophobicContact CD-CD1 4.16Å; K954-I956 HydrophobicContact CD-CG1 4.49Å
957	H	28.6	Very low	27.9	Very low	178 Å²	178	136.2 Å²	136.2	82%	0.824	72%	0.718	S	S	*	*			trans	63	155.5	165	-66	-44.7	0	0	0	116.7
958	S	29.7	Very low	28.1	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	75%	0.748	S	S	*	*			cis	-162.5	153.6	-14.4	44	0	0	0	0	111.2
959	D	26.3	Very low	28.3	Very low	126 Å²	126	137 Å²	137	67%	0.674	75%	0.753	S	S	*	*				17.8	140.4	122.7	-130.3	35.4	0	0	0	119.6
960	R	31.1	Very low	28.7	Very low	210 Å²	210	136 Å²	136	79%	0.792	76%	0.762	S	S	*	*			trans	91.1	94.3	150.8	-65	169.3	-169.6	-144.1	-4.3	122.7
961	S	25.8	Very low	29	Very low	91 Å²	91	132.8 Å²	132.8	64%	0.636	77%	0.766	S	S	*	*				72.5	117.7	104.2	79	0	0	0	0	123.8
962	I	25.9	Very low	29.3	Very low	161 Å²	161	131.7 Å²	131.7	83%	0.826	76%	0.758	S	S	*	*			trans	76.9	155.9	142.5	-44.4	147.8	0	0	0	118.2
963	I	28.6	Very low	29.9	Very low	145 Å²	145	130.5 Å²	130.5	74%	0.744	76%	0.759	S	S	*	*			trans	107.6	91.9	159.2	-53.1	-176.7	0	0	0	117.8
964	V	30	Very low	30.3	Very low	133 Å²	133	128.9 Å²	128.9	81%	0.806	75%	0.751	S	S	*	*			trans	66.4	138	131.7	-175.6	0	0	0	0	122.6
965	S	25	Very low	30.8	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	75%	0.753	S	S	*	*			trans	-53.6	-169.3	168	-25.3	0	0	0	0	116.7
966	P	37.6	Very low	31.3	Very low	117 Å²	117	125.5 Å²	125.5	76%	0.76	75%	0.747	S	S	*	*			cis	-137.9	-170.5	-6.2	38.4	-16.8	0	0	0	116.2
967	M	28.8	Very low	31.8	Very low	175 Å²	175	124.5 Å²	124.5	86%	0.862	75%	0.751	S	S	*	*			trans	-4.8	143.2	159.8	-61.8	168.8	63.8	0	0	122.2
968	A	33.9	Very low	32.1	Very low	103 Å²	103	121.1 Å²	121.1	85%	0.851	75%	0.747	S	S	*	*			trans	-150.8	155.4	149.4	0	0	0	0	0	112
969	T	28.8	Very low	32.5	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	75%	0.751	S	S	*	*			trans	-137.8	148.4	-172.5	46.3	0	0	0	0	114.4
970	A	34.1	Very low	32.9	Very low	84 Å²	84	124.4 Å²	124.4	69%	0.694	75%	0.752	S	S	*	*			trans	-162.9	115.7	164.5	0	0	0	0	0	108.4
971	T	33	Very low	32.9	Very low	137 Å²	137	119.7 Å²	119.7	84%	0.84	75%	0.747	S	S	*	*				58.4	135.5	83.7	64.7	0	0	0	0	114.1
972	S	35.3	Very low	33.1	Very low	96 Å²	96	121 Å²	121	67%	0.671	75%	0.751	S	S	*	*			cis	-166.5	150.9	30	53.9	0	0	0	0	115.5
973	T	35.9	Very low	33.6	Very low	126 Å²	126	120.2 Å²	120.2	77%	0.773	75%	0.754	S	S	*	*			trans	53.1	149.7	138.7	56	0	0	0	0	122.9
974	S	36.7	Very low	33.8	Very low	93 Å²	93	116.9 Å²	116.9	65%	0.65	76%	0.756	S	S	*	*			cis	-176.5	166.3	-12.8	53.7	0	0	0	0	112.5
975	S	37.6	Very low	33.9	Very low	106 Å²	106	121.5 Å²	121.5	74%	0.741	76%	0.759	S	S	*	*			trans	62.1	147.2	146.2	51.3	0	0	0	0	121.8
976	S	37.5	Very low	34.1	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	75%	0.753	S	S	*	*			cis	-173.6	169.7	-14.5	54.3	0	0	0	0	112.8
977	S	37.5	Very low	33.8	Very low	94 Å²	94	123.5 Å²	123.5	66%	0.657	75%	0.753	S	S	*	*			trans	56.7	110.9	148	52.5	0	0	0	0	120.2
978	S	36.2	Very low	33.7	Very low	106 Å²	106	119.5 Å²	119.5	74%	0.741	74%	0.742	S	S	*	*				73.1	146.5	70.8	81.6	0	0	0	0	114.7
979	K	37	Very low	33.3	Very low	180 Å²	180	121.5 Å²	121.5	78%	0.783	74%	0.736	S	S	*	*			cis	-175.4	164.4	27.4	-140.8	172.8	-173	177.4	0	110.7
980	T	34.7	Very low	33.2	Very low	115 Å²	115	123 Å²	123	71%	0.706	73%	0.731	S	S	*	*			trans	59.8	154.3	152.1	41.9	0	0	0	0	121.9
981	T	31.2	Very low	33	Very low	112 Å²	112	125.8 Å²	125.8	69%	0.687	73%	0.732	S	S	*	*			cis	-170.7	147.1	-38.2	18.8	0	0	0	0	110.4
982	T	31	Very low	32.9	Very low	118 Å²	118	126.3 Å²	126.3	72%	0.724	73%	0.73	S	S	*	*			trans	48	125.7	149.4	59.6	0	0	0	0	122.9
983	T	35.3	Very low	32.5	Very low	144 Å²	144	133.1 Å²	133.1	88%	0.883	74%	0.741	S	S	*	*				155.1	155.8	115.5	44.5	0	0	0	0	113.4
984	G	33.6	Very low	32.6	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	74%	0.74	S	S	*	*			trans	73.1	110.3	164.8	0	0	0	0	0	116.1
985	R	31.8	Very low	32.4	Very low	230 Å²	230	134.9 Å²	134.9	87%	0.868	75%	0.745	S	S	*	*			cis	92.5	124.4	40.9	-167.1	-177.9	175.1	157.8	4.2	113.6
986	T	29.8	Very low	32.2	Very low	98 Å²	98	135.1 Å²	135.1	60%	0.601	74%	0.742	S	S	*	*			trans	67.2	124	161.7	41.2	0	0	0	0	121.6
987	E	29.6	Very low	31.9	Very low	165 Å²	165	135.3 Å²	135.3	77%	0.771	74%	0.739	S	S	*	*				92.8	122.8	127.4	-79.4	177.6	-125.5	0	0	123.6
988	S	26.8	Very low	31.7	Very low	90 Å²	90	138.5 Å²	138.5	63%	0.629	74%	0.743	S	S	*	*				86.8	116.8	126.3	-69	0	0	0	0	121.9
989	M	27.2	Very low	31.5	Very low	146 Å²	146	141.8 Å²	141.8	72%	0.719	75%	0.745	S	S	*	*			trans	75.5	113.2	139.5	-69.8	-159.9	-170.8	0	0	121.9
990	K	26.5	Very low	31.3	Very low	167 Å²	167	140.1 Å²	140.1	73%	0.726	74%	0.743	S	S	*	*				80.7	161.6	126.5	-66.9	172	179.1	162.7	0	119.9
991	I	28.6	Very low	31.1	Very low	143 Å²	143	139.3 Å²	139.3	73%	0.733	74%	0.742	S	S	*	*			trans	93	119.1	145.3	-83.3	152.8	0	0	0	119.6
992	N	31.2	Very low	31.3	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	75%	0.746	S	S	*	*			trans	78.9	109.9	151	-68.2	1.1	0	0	0	124.2
993	R	28.2	Very low	31.2	Very low	239 Å²	239	139.8 Å²	139.8	90%	0.902	75%	0.747	S	S	*	*			trans	-51.1	159.8	140.6	-78.5	177.6	167.9	173.2	-3.5	112.6
994	P	37	Very low	31.1	Very low	115 Å²	115	141 Å²	141	75%	0.747	75%	0.747	S	S	*	*				-131.2	-167	94.2	43.9	-34.8	0	0	0	110.6
995	N	33.1	Very low	30.7	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	74%	0.744	S	S	*	*			cis	-155.9	-176.6	-1.9	-145.5	-13.2	0	0	0	111.7
996	V	32.7	Very low	30.9	Very low	111 Å²	111	136.1 Å²	136.1	67%	0.673	73%	0.734	S	S	*	*			trans	48.4	125.6	143.2	167.8	0	0	0	0	120.3
997	T	32.1	Very low	30.8	Very low	102 Å²	102	141.9 Å²	141.9	63%	0.626	75%	0.745	S	S	*	*			cis	-163.8	139.1	-9.6	25	0	0	0	0	111.7
998	Q	31.6	Very low	30.8	Very low	162 Å²	162	141.9 Å²	141.9	76%	0.757	75%	0.747	S	S	*	*			trans	49.6	143.4	135.1	-60.4	169.8	-6.3	0	0	120.4
999	F	31.7	Very low	30.8	Very low	175 Å²	175	142.6 Å²	142.6	77%	0.768	75%	0.752	S	S	*	*				-148.2	147.9	51.3	-96.6	-111.6	0	0	0	114.4
1000	L	33.1	Very low	30.8	Very low	145 Å²	145	144.1 Å²	144.1	76%	0.759	76%	0.755	S	S	*	*			trans	36.6	119.9	150	-52.7	178.6	0	0	0	120.6
1001	S	31.3	Very low	30.9	Very low	97 Å²	97	143 Å²	143	68%	0.678	76%	0.755	S	S	*	*			cis	87.3	152.7	43.2	79.8	0	0	0	0	115.3
1002	P	35.4	Very low	30.8	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	75%	0.754	S	S	*	*			cis	-138.3	179.6	1.5	41.1	-21.5	0	0	0	117.9
1003	T	28.9	Very low	30.7	Very low	123 Å²	123	142 Å²	142	76%	0.755	76%	0.755	S	S	*	*			trans	-60.9	165.5	177.7	54.6	0	0	0	0	119.6
1004	L	32.8	Very low	30.6	Very low	168 Å²	168	136.8 Å²	136.8	88%	0.88	75%	0.745	S	S	*	*				-170.9	170.8	123.6	-104.8	157.1	0	0	0	115.7
1005	S	25.9	Very low	30.4	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	75%	0.746	S	S	*	*			trans	-172.1	-164.6	-170.3	-146.4	0	0	0	0	108.8
1006	P	36.2	Very low	30	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	74%	0.742	S	S	*	*			cis	-143.9	-173.7	-7.9	37.6	-15.3	0	0	0	117.8
1007	R	27.3	Very low	29.8	Very low	218 Å²	218	142 Å²	142	82%	0.823	74%	0.744	S	S	*	*			trans	87.1	156.2	135.8	-107.8	177.7	-177.2	173.9	0.1	123.7
1008	M	29.3	Very low	29.7	Very low	165 Å²	165	144.1 Å²	144.1	81%	0.813	75%	0.751	S	S	*	*			trans	72	155.5	162	-60	-82.4	-163.2	0	0	116.7
1009	S	26.9	Very low	29.4	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	75%	0.749	S	S	*	*			cis	176.4	157.1	-17.2	56.8	0	0	0	0	107.8
1010	K	27.5	Very low	29.3	Very low	177 Å²	177	138 Å²	138	77%	0.77	75%	0.748	S	S	*	*			cis	-171.6	-179.8	-10.2	-176.7	-171.5	172	-170.3	0	105.9
1011	I	28.5	Very low	29.3	Very low	144 Å²	144	137 Å²	137	74%	0.738	75%	0.75	S	S	*	*			trans	85.4	118.7	167.4	-54.7	164.4	0	0	0	112.1
1012	I	25.3	Very low	29.1	Very low	137 Å²	137	138 Å²	138	70%	0.703	76%	0.755	S	S	*	*			cis	85.6	115.5	36.2	-54.6	162.1	0	0	0	114
1013	V	29.8	Very low	28.9	Very low	134 Å²	134	138.7 Å²	138.7	81%	0.812	76%	0.758	S	S	*	*			trans	172.7	143.3	132.2	151.1	0	0	0	0	109.8
1014	D	26	Very low	28.8	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	76%	0.761	S	S	*	*			trans	-79	163.1	-177.9	-53.7	-98.6	0	0	0	115.5
1015	H	32.3	Very low	28.8	Very low	168 Å²	168	137.5 Å²	137.5	78%	0.778	75%	0.754	S	S	*	*				172.6	121.1	119	-87.5	-59.1	0	0	0	108.9
1016	Q	26.4	Very low	28.7	Very low	145 Å²	145	139.4 Å²	139.4	68%	0.678	75%	0.753	S	S	*	*				46.6	125.6	80.6	-72	-164.7	14.3	0	0	112.7
1017	K	28.1	Very low	28.5	Very low	165 Å²	165	142.7 Å²	142.7	72%	0.717	76%	0.76	S	S	*	*			cis	178.9	167.8	49.6	-128	162.8	-173.9	170.4	0	111.3
1018	L	28.4	Very low	28.4	Very low	146 Å²	146	139.5 Å²	139.5	76%	0.764	75%	0.754	S	S	*	*			trans	67.6	117.3	154.6	-63.2	162.9	0	0	0	116.8
1019	S	26.4	Very low	28.4	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	75%	0.751	S	S	*	*				72	141.3	69.6	81.1	0	0	0	0	114
1020	S	29	Very low	28.5	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	75%	0.748	S	S	*	*			cis	-162.5	164.5	16.5	45.1	0	0	0	0	112.2
1021	P	33	Very low	28.5	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	75%	0.747	S	S	*	*			trans	-98.9	154.2	179.5	37.9	-34.2	0	0	0	115.5
1022	C	28.4	Very low	28.6	Very low	116 Å²	116	137.3 Å²	137.3	78%	0.784	75%	0.745	S	S	*	*			trans	-151.7	111.2	169.5	-83.4	0	0	0	0	109.9
1023	T	30.6	Very low	28.6	Very low	134 Å²	134	139 Å²	139	82%	0.822	75%	0.749	S	S	*	*				85.3	125.8	96.4	57	0	0	0	0	118.2
1024	N	26.2	Very low	28.6	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	75%	0.752	S	S	*	*			trans	-63.9	-171.4	161.8	-65.6	-19.5	0	0	0	111.6
1025	P	33.6	Very low	28.5	Very low	110 Å²	110	142 Å²	142	71%	0.714	76%	0.759	S	S	*	*			cis	-151.1	-172.4	11.2	46.5	-25.5	0	0	0	119.7
1026	M	24.2	Very low	28.3	Very low	143 Å²	143	142.2 Å²	142.2	70%	0.704	77%	0.765	S	S	*	*			trans	80.5	155.3	141	-74.1	-122.2	69.8	0	0	124.4
1027	Q	31.1	Very low	28.4	Very low	172 Å²	172	143 Å²	143	80%	0.804	77%	0.768	S	S	*	*			trans	92.3	109.7	168.4	-53.1	-163.5	-59.5	0	0	116.4
1028	E	25.4	Very low	28.4	Very low	150 Å²	150	140.7 Å²	140.7	70%	0.701	77%	0.77	S	S	*	*			cis	105.1	155.8	24.4	-167.7	172.4	-111.7	0	0	113.2
1029	I	30.1	Very low	28.4	Very low	147 Å²	147	140 Å²	140	75%	0.754	77%	0.767	S	S	*	*			trans	101.1	97.2	179.3	-54.7	165.9	0	0	0	116
1030	N	29.3	Very low	28.5	Very low	127 Å²	127	144.4 Å²	144.4	68%	0.679	78%	0.776	S	S	*	*				33.5	143	120.1	-54.9	35.9	0	0	0	118.8
1031	E	27.5	Very low	28.5	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.743	78%	0.781	S	S	*	*			cis	-170.5	-179.6	14	-118.6	163.9	-107.5	0	0	107.3
1032	T	30.1	Very low	28.3	Very low	113 Å²	113	145.8 Å²	145.8	69%	0.693	77%	0.774	S	S	*	*			cis	-144.3	175.2	10.9	27.1	0	0	0	0	112.2
1033	E	25	Very low	28.5	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.804	78%	0.777	S	S	*	*			trans	-22.7	138.5	166.7	-52.6	177.7	133.6	0	0	122.5
1034	I	28.7	Very low	28.3	Very low	170 Å²	170	148.3 Å²	148.3	87%	0.872	78%	0.777	S	S	*	*				-158.7	142.8	113.3	-96.9	159.1	0	0	0	108.3
1035	L	24.9	Very low	28.3	Very low	157 Å²	157	148.3 Å²	148.3	82%	0.822	78%	0.777	S	S	*	*			trans	-82.1	145.3	-168.6	-56.6	95.9	0	0	0	115
1036	L	28.5	Very low	28	Very low	173 Å²	173	150.6 Å²	150.6	91%	0.906	78%	0.783	S	S	*	*				-169.2	160.6	125.5	-100.5	163.9	0	0	0	111.1
1037	H	27.7	Very low	28.3	Very low	161 Å²	161	154.3 Å²	154.3	75%	0.745	81%	0.813	S	S	*	*			trans	-72.6	143.8	-164.8	-127.7	-101.7	0	0	0	114.9	D1039	H1037-D1039 IonicContact CE1-OD2 2.65Å; H1037-D1039 IonicContact CG-OD2 2.68Å; H1037-D1039 IonicContact ND1-OD2 3.61Å; H1037-D1039 PolarHBondContact ND1-OD2 2.88Å
1038	P	27.8	Very low	28.1	Very low	116 Å²	116	153.4 Å²	153.4	75%	0.753	81%	0.813	S	S	*	*			trans	-107.9	98.6	174.9	36.9	-27.3	0	0	0	113.6
1039	D	29.1	Very low	28.3	Very low	132 Å²	132	153.6 Å²	153.6	71%	0.706	82%	0.819	S	S	*	*			trans	-138.1	26.9	176.5	-76.5	-72.5	0	0	0	113.7	H1037	H1037-D1039 IonicContact CE1-OD2 2.65Å; H1037-D1039 IonicContact CG-OD2 2.68Å; H1037-D1039 IonicContact ND1-OD2 3.61Å; H1037-D1039 PolarHBondContact ND1-OD2 2.88Å
1040	E	27.7	Very low	28.2	Very low	193 Å²	193	153.9 Å²	153.9	90%	0.902	82%	0.823	S	S	*	*			trans	-139.5	50.7	179.9	-67.8	-164.1	143.9	0	0	114.3
1041	I	29.2	Very low	28.1	Very low	169 Å²	169	155.5 Å²	155.5	87%	0.867	83%	0.831	S	S	*	*			trans	-139.5	150.2	172.2	-59.3	-177.5	0	0	0	111.2
1042	S	29.3	Very low	28.1	Very low	93 Å²	93	155.3 Å²	155.3	65%	0.65	84%	0.836	S	S	*	*			trans	75.3	132	-177.2	175.6	0	0	0	0	114.3
1043	E	32.4	Very low	28	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	85%	0.846	S	S	*	*			cis	-139	136.7	0.6	-132.8	142.3	-109.6	0	0	110.8
1044	C	25.6	Very low	28.2	Very low	124 Å²	124	157.1 Å²	157.1	84%	0.838	85%	0.849	S	S	*	*			trans	-115.8	118.7	166.3	-73.6	0	0	0	0	107.6
1045	D	26.3	Very low	28.2	Very low	155 Å²	155	156.2 Å²	156.2	83%	0.829	85%	0.847	S	S	*	*			trans	-163.9	154.4	151.4	-115.7	-28.7	0	0	0	113
1046	L	28.3	Very low	28.4	Very low	158 Å²	158	156.1 Å²	156.1	83%	0.827	85%	0.849	S	S	*	*			trans	62.5	83.3	163.3	-59.9	166.2	0	0	0	119.2
1047	V	29.6	Very low	28.4	Very low	220 Å²	220	154.5 Å²	154.5	100%	1.333	84%	0.844	S	S	*	*				-173.5	0	104.2	151.2	0	0	0	0	110.5

Retrieved 1,047 of 1,047 residues in 1173.3 ms (Link to these results)

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