A0A3Q0KRX4_SCHMA Loading...

TFIIB-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,002 aa.

						>A0A3Q0KRX4_SCHMA|A0A3Q0KRX4
MSCPICENRELVEDENTGQLICSECGTATGVYRGVTQSQDFSETRGLRVIQKTEHIVSQSNQAATDNIADTSRFVKVEPDSTHDQNMNSVCREDLLNTLDDDLFSGSEVSFINPTQKEKCFERHRPWRLSEPFTFIMRRQANCLAKELNLSVEQKVSFCDTVWSIWLHYLSITGELGSDAWVNAALLLAKSISEVLESKMIPEEERPTNKILRKHKTSNHCYMTTQREHEWELMQTRLNQFQWVGWGLLYEPEEGREIAKILHLSRKKKAPKQVDKSEKSKRRGRKRKNCSESDSSELVLSDENPDDDAQSVHSPAYDDRRDLSNPDVHDSDLSFQPKAVESELFPDNDCTQEMPLSYFTKKLSRLRSMGHLFWRGQIEGGFNCRVLMEYNVAILFIACLTTCPIRKAVNPLFSSHFINSDFSNSPCALTTMITLKDLQDLCNNRRLPFISVQSLFPPGAFCIRDQSLLSLIRRHRPPEINHLAYATARMREFIGLNHFPKYPLSWLMHRHITALGLPVVMHEFVRPLLERLQKECIPVDKDIYHSLLSSTPWPRVVRPEVFAMALVVILLRLVFKFDDTFEHRLSSVAKALELFPNRPVKSGQTSDVSLYDRPFIWISWVQYINSRFHPSHKLNLNSFKIDQNPYSNARVRESSRPLVMTASQGSELLNLDKASDFLGSTEFKIGRDIGWGEESMKKIKIADASVKLSLSQPLRNLFEPYQVNCLTESTVSTQSHCTHRHQMVIDDLTSDSSTNGKKNTFYKCLIPSDYEQDGLLSPFLNTQLNFLYNKGINVNDYIPNAFNDHQTSTDSYGFNDCTIREWWLDLINQRSDYFSICIGEWSSNSSSKSQWKNRHRSKQPLILPKPVEEFIAKHDESLSKALGHDHDELVHAKQNDKDDSQKGESNGPNAPQSSKAKKPVCLHCSDPSQSMKWLVDICAMICGASNIRSLLTEIECLERLLKWHAKASCSPSISGNDPRQVDYALLSFFDLNVDICEVSGDL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.7	Low	71.4	Confident	135 Å²	135	94.4 Å²	94.4	67%	0.665	48%	0.475	S	S	*	.				0	179.9	0	-73.7	-177.4	-86.2	0	0	108.6	L11 L20 V31	M1-L11 HydrophobicContact CB-CD1 3.69Å; M1-L20 HydrophobicContact CE-CD1 3.45Å; M1-L20 VanDerWaalsContact CE-CD1 3.45Å; M1-V31 HydrophobicContact CE-CG1 4.16Å; M1-V31 HydrophobicContact SD-CB 4.15Å; M1-V31 HydrophobicContact SD-CG1 3.83Å; M1-V31 HydrophobicContact SD-CG2 4.02Å
2	S	67.1	Low	71.7	Confident	63 Å²	63	94.3 Å²	94.3	44%	0.441	48%	0.483	S	S	.	.			trans	-150.6	151	175.5	45.4	0	0	0	0	110.7	E7 N8	S2-E7 WeakPolarHBondContact CB-O 3.14Å; S2-N8 CarbonylContact C-O 3.41Å; S2-N8 WeakPolarHBondContact CA-O 3.22Å
3	C	70.1	Confident	71.4	Confident	1 Å²	1	93.9 Å²	93.9	1%	0.007	48%	0.478	C	S	.	.			trans	-58.4	127.1	173.2	173.5	0	0	0	0	109.5	I5 C6 E7 N8 C22 C25	C3-I5 PolarHBondContact O-N 2.86Å; C3-I5 PolarHBondContact SG-N 2.96Å; C3-I5 VanDerWaalsContact SG-N 3.35Å; C3-C6 PolarHBondContact SG-N 3.11Å; C3-C6 VanDerWaalsContact SG-N 3.4Å; C3-E7 VanDerWaalsContact O-CA 3.29Å; C3-E7 WeakPolarHBondContact O-CA 3.15Å; C3-E7 PolarHBondContact O-N 2.9Å; C3-N8 PolarHBondContact N-O 2.81Å; C3-C22 HydrophobicContact CB-CB 3.8Å; C3-C25 HydrophobicContact CB-CB 4.4Å; C3-C25 WeakPolarHBondContact CB-SG 3.29Å; C3-C25 WeakPolarHBondContact SG-CB 3.47Å; C3-C25 CovalentContact SG-SG 2.05Å; C3-C25 PolarHBondContact SG-SG 2.88Å
4	P	60.9	Low	71.2	Confident	105 Å²	105	90.1 Å²	90.1	68%	0.682	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	2.1	178.7	30.7	-35.8	0	0	0	113.6
5	I	69.7	Low	70.3	Confident	125 Å²	125	96.5 Å²	96.5	64%	0.641	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-39.5	-179.5	-54.8	-170.6	0	0	0	112.4	C3 T27	C3-I5 PolarHBondContact O-N 2.86Å; C3-I5 PolarHBondContact SG-N 2.96Å; C3-I5 VanDerWaalsContact SG-N 3.35Å; I5-T27 HydrophobicContact CD1-CG2 3.87Å; I5-T27 HydrophobicContact CG1-CG2 4.45Å
6	C	79.5	Confident	69.1	Low	48 Å²	48	98.7 Å²	98.7	32%	0.324	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	1.4	179.1	77.4	0	0	0	0	115.6	C3 N8 E24 C25	C3-C6 PolarHBondContact SG-N 3.11Å; C3-C6 VanDerWaalsContact SG-N 3.4Å; C6-N8 PolarHBondContact O-N 2.93Å; C6-N8 WeakPolarHBondContact SG-CB 3.38Å; C6-E24 PolarHBondContact SG-OE2 2.93Å; C6-E24 VanDerWaalsContact SG-OE2 3.33Å; C6-C25 HydrophobicContact CB-CB 4Å; C6-C25 VanDerWaalsContact SG-CB 3.58Å
7	E	74.9	Confident	68.1	Low	161 Å²	161	96.2 Å²	96.2	75%	0.752	49%	0.491	S	S	*	.			trans	61.6	-3.6	-177.3	-53.2	-166.7	160	0	0	117	S2 C3	S2-E7 WeakPolarHBondContact CB-O 3.14Å; C3-E7 VanDerWaalsContact O-CA 3.29Å; C3-E7 WeakPolarHBondContact O-CA 3.15Å; C3-E7 PolarHBondContact O-N 2.9Å
8	N	76.4	Confident	67.4	Low	27 Å²	27	92.4 Å²	92.4	14%	0.144	48%	0.48	C	S	.	.			trans	-56.8	141.3	173.3	-177.5	8.2	0	0	0	111.8	S2 C3 C6 E10 S23 E24	S2-N8 CarbonylContact C-O 3.41Å; S2-N8 WeakPolarHBondContact CA-O 3.22Å; C3-N8 PolarHBondContact N-O 2.81Å; C6-N8 PolarHBondContact O-N 2.93Å; C6-N8 WeakPolarHBondContact SG-CB 3.38Å; N8-E10 PolarHBondContact OD1-N 2.79Å; N8-S23 PolarHBondContact ND2-OG 3.08Å; N8-E24 HydrophobicContact CB-CB 4.44Å; N8-E24 HydrophobicContact CB-CG 4.48Å; N8-E24 VanDerWaalsContact CB-OE2 3.29Å; N8-E24 WeakPolarHBondContact CB-OE2 3.29Å; N8-E24 VanDerWaalsContact ND2-CD 3.33Å; N8-E24 VanDerWaalsContact ND2-CG 3.28Å; N8-E24 WeakPolarHBondContact ND2-CG 3.46Å
9	R	77.9	Confident	66.9	Low	213 Å²	213	90.4 Å²	90.4	80%	0.804	47%	0.468	S	S	*	.			trans	-91.9	-15.7	-175.7	-60.9	178.7	-179.1	-171.4	-0.4	113.6	L11	R9-L11 PolarHBondContact O-N 3.33Å
10	E	78.3	Confident	66.8	Low	123 Å²	123	86.7 Å²	86.7	58%	0.575	45%	0.449	S	S	*	.			trans	-72.6	111.7	174.1	-68.4	-179	176.2	0	0	110.6	N8 C22 S23	N8-E10 PolarHBondContact OD1-N 2.79Å; E10-C22 WeakPolarHBondContact O-CA 3.49Å; E10-C22 PolarHBondContact O-SG 2.96Å; E10-S23 WeakPolarHBondContact CB-OG 3.28Å; E10-S23 PolarHBondContact O-N 2.91Å; E10-S23 WeakPolarHBondContact OE2-CB 3.45Å; E10-S23 PolarHBondContact OE2-OG 3.12Å
11	L	74	Confident	67.2	Low	37 Å²	37	85.2 Å²	85.2	19%	0.194	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.4	171.9	-55.8	177.4	0	0	0	108.1	M1 R9 L20 I21 C22 T29	M1-L11 HydrophobicContact CB-CD1 3.69Å; R9-L11 PolarHBondContact O-N 3.33Å; L11-L20 HydrophobicContact CB-CB 4.17Å; L11-L20 HydrophobicContact CB-CD2 4.15Å; L11-L20 HydrophobicContact CD1-CB 4.26Å; L11-L20 HydrophobicContact CD1-CD1 4.47Å; L11-I21 CarbonylContact C-O 3.56Å; L11-I21 WeakPolarHBondContact CA-O 3.25Å; L11-C22 HydrophobicContact CD2-CB 3.59Å; L11-T29 HydrophobicContact CD1-CG2 4.48Å; L11-T29 HydrophobicContact CD2-CG2 4.09Å
12	V	74.5	Confident	68.3	Low	93 Å²	93	79 Å²	79	56%	0.564	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.9	176.7	-175.9	0	0	0	0	108.3	L20 I21	V12-L20 CarbonylContact O-C 3.46Å; V12-L20 WeakPolarHBondContact O-CA 3.45Å; V12-I21 PolarHBondContact N-O 3.31Å; V12-I21 PolarHBondContact O-N 3.24Å
13	E	68.3	Low	68.8	Low	90 Å²	90	78.8 Å²	78.8	42%	0.421	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.9	179.1	-158	168.5	144.7	0	0	109.5	E15 L20 R33	E13-E15 PolarHBondContact O-N 3.22Å; E13-L20 HydrophobicContact CB-CD2 4.12Å; E13-L20 HydrophobicContact CG-CD2 4.37Å; E13-R33 IonicContact OE2-CZ 3.95Å; E13-R33 IonicContact OE2-NH1 2.92Å; E13-R33 PolarHBondContact OE2-NH1 3.24Å
14	D	68.8	Low	69.2	Low	40 Å²	40	85.3 Å²	85.3	21%	0.214	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	112.6	173.8	166.2	30.6	0	0	0	110.5	N16 T17 G18 Q19 I21	D14-N16 PolarHBondContact O-N 3.28Å; D14-N16 WeakPolarHBondContact OD1-CB 3.39Å; D14-N16 PolarHBondContact OD1-N 2.98Å; D14-N16 PolarHBondContact OD1-ND2 2.64Å; D14-T17 PolarHBondContact O-N 3Å; D14-T17 VanDerWaalsContact O-N 3.11Å; D14-T17 WeakPolarHBondContact OD2-CB 3.32Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.21Å; D14-T17 PolarHBondContact OD2-N 3.43Å; D14-T17 PolarHBondContact OD2-OG1 3.24Å; D14-G18 PolarHBondContact O-N 3.02Å; D14-Q19 PolarHBondContact N-O 3.31Å; D14-I21 HydrophobicContact CB-CD1 3.73Å; D14-I21 HydrophobicContact CB-CG1 4.22Å
15	E	57.9	Low	70.1	Confident	187 Å²	187	82 Å²	82	87%	0.874	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.9	-179.5	-57.9	-170.7	150.2	0	0	113.9	E13	E13-E15 PolarHBondContact O-N 3.22Å
16	N	50.4	Low	70.3	Confident	131 Å²	131	78.7 Å²	78.7	70%	0.701	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-25.7	-179.2	-56.7	-84.3	0	0	0	113.8	D14	D14-N16 PolarHBondContact O-N 3.28Å; D14-N16 WeakPolarHBondContact OD1-CB 3.39Å; D14-N16 PolarHBondContact OD1-N 2.98Å; D14-N16 PolarHBondContact OD1-ND2 2.64Å
17	T	53	Low	69.8	Low	57 Å²	57	78.2 Å²	78.2	35%	0.35	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-17.5	-172	62.5	0	0	0	0	114.5	D14 Q19	D14-T17 PolarHBondContact O-N 3Å; D14-T17 VanDerWaalsContact O-N 3.11Å; D14-T17 WeakPolarHBondContact OD2-CB 3.32Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.21Å; D14-T17 PolarHBondContact OD2-N 3.43Å; D14-T17 PolarHBondContact OD2-OG1 3.24Å; T17-Q19 PolarHBondContact O-N 2.98Å; T17-Q19 WeakPolarHBondContact OG1-CB 3.14Å; T17-Q19 PolarHBondContact OG1-N 3.12Å
18	G	53.9	Low	69.2	Low	28 Å²	28	72.6 Å²	72.6	29%	0.289	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	19	-172.3	0	0	0	0	0	113.6	D14	D14-G18 PolarHBondContact O-N 3.02Å
19	Q	58.9	Low	68.2	Low	54 Å²	54	71.8 Å²	71.8	25%	0.252	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.4	-179.9	-62.4	-178	-0.5	0	0	111.1	D14 T17 I21 A28 Y32	D14-Q19 PolarHBondContact N-O 3.31Å; T17-Q19 PolarHBondContact O-N 2.98Å; T17-Q19 WeakPolarHBondContact OG1-CB 3.14Å; T17-Q19 PolarHBondContact OG1-N 3.12Å; Q19-I21 PolarHBondContact O-N 3.22Å; Q19-A28 HydrophobicContact CB-CB 4.29Å; Q19-Y32 HydrophobicContact CG-CE1 4.3Å; Q19-Y32 PolarHBondContact NE2-OH 3.24Å
20	L	65	Low	66.7	Low	16 Å²	16	63.6 Å²	63.6	8%	0.084	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	96.2	178.3	-79.3	171.4	0	0	0	110.1	M1 L11 V12 E13 T29	M1-L20 HydrophobicContact CE-CD1 3.45Å; M1-L20 VanDerWaalsContact CE-CD1 3.45Å; L11-L20 HydrophobicContact CB-CB 4.17Å; L11-L20 HydrophobicContact CB-CD2 4.15Å; L11-L20 HydrophobicContact CD1-CB 4.26Å; L11-L20 HydrophobicContact CD1-CD1 4.47Å; V12-L20 CarbonylContact O-C 3.46Å; V12-L20 WeakPolarHBondContact O-CA 3.45Å; E13-L20 HydrophobicContact CB-CD2 4.12Å; E13-L20 HydrophobicContact CG-CD2 4.37Å; L20-T29 VanDerWaalsContact CB-OG1 3.3Å; L20-T29 WeakPolarHBondContact CB-OG1 3.22Å; L20-T29 WeakPolarHBondContact O-CB 3.43Å; L20-T29 PolarHBondContact O-N 3.01Å; L20-T29 PolarHBondContact O-OG1 3.14Å
21	I	75.4	Confident	65	Low	56 Å²	56	60.1 Å²	60.1	29%	0.287	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.7	178	-54.3	-175.6	0	0	0	109.7	L11 V12 D14 Q19 A28	L11-I21 CarbonylContact C-O 3.56Å; L11-I21 WeakPolarHBondContact CA-O 3.25Å; V12-I21 PolarHBondContact N-O 3.31Å; V12-I21 PolarHBondContact O-N 3.24Å; D14-I21 HydrophobicContact CB-CD1 3.73Å; D14-I21 HydrophobicContact CB-CG1 4.22Å; Q19-I21 PolarHBondContact O-N 3.22Å; I21-A28 HydrophobicContact CG1-CB 4.24Å
22	C	79.6	Confident	63.2	Low	3 Å²	3	63.5 Å²	63.5	2%	0.02	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.4	174.9	-177.8	0	0	0	0	113.2	C3 E10 L11 E24 C25 G26 T27	C3-C22 HydrophobicContact CB-CB 3.8Å; E10-C22 WeakPolarHBondContact O-CA 3.49Å; E10-C22 PolarHBondContact O-SG 2.96Å; L11-C22 HydrophobicContact CD2-CB 3.59Å; C22-E24 PolarHBondContact O-N 2.78Å; C22-C25 WeakPolarHBondContact CB-SG 3.46Å; C22-C25 VanDerWaalsContact SG-SG 3.67Å; C22-G26 WeakPolarHBondContact O-CA 3.3Å; C22-G26 PolarHBondContact O-N 3.35Å; C22-G26 VanDerWaalsContact O-N 3.15Å; C22-T27 PolarHBondContact N-O 3.36Å; C22-T27 VanDerWaalsContact N-O 3.14Å
23	S	77.7	Confident	61.2	Low	60 Å²	60	68 Å²	68	42%	0.42	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-38.5	178.8	60.5	0	0	0	0	113.6	N8 E10	N8-S23 PolarHBondContact ND2-OG 3.08Å; E10-S23 WeakPolarHBondContact CB-OG 3.28Å; E10-S23 PolarHBondContact O-N 2.91Å; E10-S23 WeakPolarHBondContact OE2-CB 3.45Å; E10-S23 PolarHBondContact OE2-OG 3.12Å
24	E	77.7	Confident	59.4	Low	138 Å²	138	65.1 Å²	65.1	65%	0.645	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-56.8	178.8	-84.3	179.5	-178.5	0	0	113.2	C6 N8 C22 G26	C6-E24 PolarHBondContact SG-OE2 2.93Å; C6-E24 VanDerWaalsContact SG-OE2 3.33Å; N8-E24 HydrophobicContact CB-CB 4.44Å; N8-E24 HydrophobicContact CB-CG 4.48Å; N8-E24 VanDerWaalsContact CB-OE2 3.29Å; N8-E24 WeakPolarHBondContact CB-OE2 3.29Å; N8-E24 VanDerWaalsContact ND2-CD 3.33Å; N8-E24 VanDerWaalsContact ND2-CG 3.28Å; N8-E24 WeakPolarHBondContact ND2-CG 3.46Å; C22-E24 PolarHBondContact O-N 2.78Å; E24-G26 VanDerWaalsContact C-N 3.3Å; E24-G26 PolarHBondContact O-N 3.06Å
25	C	80	Confident	57.6	Low	34 Å²	34	66.2 Å²	66.2	23%	0.23	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.3	-168.1	70.7	0	0	0	0	113.4	C3 C6 C22 T27	C3-C25 HydrophobicContact CB-CB 4.4Å; C3-C25 WeakPolarHBondContact CB-SG 3.29Å; C3-C25 WeakPolarHBondContact SG-CB 3.47Å; C3-C25 CovalentContact SG-SG 2.05Å; C3-C25 PolarHBondContact SG-SG 2.88Å; C6-C25 HydrophobicContact CB-CB 4Å; C6-C25 VanDerWaalsContact SG-CB 3.58Å; C22-C25 WeakPolarHBondContact CB-SG 3.46Å; C22-C25 VanDerWaalsContact SG-SG 3.67Å; C25-T27 PolarHBondContact O-N 2.05Å; C25-T27 PolarHBondContact O-OG1 3.4Å; C25-T27 WeakPolarHBondContact SG-CB 2.96Å; C25-T27 PolarHBondContact SG-OG1 3.31Å
26	G	73.3	Confident	56.3	Low	56 Å²	56	63.9 Å²	63.9	58%	0.577	38%	0.376	S	S	*	.			trans	56.9	8.2	-176.8	0	0	0	0	0	114.8	C22 E24	C22-G26 WeakPolarHBondContact O-CA 3.3Å; C22-G26 PolarHBondContact O-N 3.35Å; C22-G26 VanDerWaalsContact O-N 3.15Å; E24-G26 VanDerWaalsContact C-N 3.3Å; E24-G26 PolarHBondContact O-N 3.06Å
27	T	71.1	Confident	55.5	Low	39 Å²	39	62.9 Å²	62.9	24%	0.239	37%	0.367	C	S	.	.			trans	-90.3	120.8	-168.9	-56.3	0	0	0	0	108.8	I5 C22 C25 T29	I5-T27 HydrophobicContact CD1-CG2 3.87Å; I5-T27 HydrophobicContact CG1-CG2 4.45Å; C22-T27 PolarHBondContact N-O 3.36Å; C22-T27 VanDerWaalsContact N-O 3.14Å; C25-T27 PolarHBondContact O-N 2.05Å; C25-T27 PolarHBondContact O-OG1 3.4Å; C25-T27 WeakPolarHBondContact SG-CB 2.96Å; C25-T27 PolarHBondContact SG-OG1 3.31Å; T27-T29 PolarHBondContact O-N 3.42Å
28	A	60.8	Low	54.4	Low	42 Å²	42	62.6 Å²	62.6	35%	0.347	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	115.5	166.2	0	0	0	0	0	109.5	Q19 I21	Q19-A28 HydrophobicContact CB-CB 4.29Å; I21-A28 HydrophobicContact CG1-CB 4.24Å
29	T	55.7	Low	53.5	Low	11 Å²	11	69.6 Å²	69.6	7%	0.067	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127	166.5	64.9	0	0	0	0	108	L11 L20 T27 V31	L11-T29 HydrophobicContact CD1-CG2 4.48Å; L11-T29 HydrophobicContact CD2-CG2 4.09Å; L20-T29 VanDerWaalsContact CB-OG1 3.3Å; L20-T29 WeakPolarHBondContact CB-OG1 3.22Å; L20-T29 WeakPolarHBondContact O-CB 3.43Å; L20-T29 PolarHBondContact O-N 3.01Å; L20-T29 PolarHBondContact O-OG1 3.14Å; T27-T29 PolarHBondContact O-N 3.42Å; T29-V31 PolarHBondContact O-N 3.15Å
30	G	46.9	Very low	52.2	Low	40 Å²	40	72.3 Å²	72.3	41%	0.412	41%	0.409	S	S	.	.			trans	-70.2	26.4	-175.7	0	0	0	0	0	115.2	Y32	G30-Y32 PolarHBondContact O-N 3.39Å
31	V	41.4	Very low	50.8	Low	51 Å²	51	79.6 Å²	79.6	31%	0.309	44%	0.44	S	S	.	.			trans	-93.4	90.8	-177.5	-174.3	0	0	0	0	109.3	M1 T29	M1-V31 HydrophobicContact CE-CG1 4.16Å; M1-V31 HydrophobicContact SD-CB 4.15Å; M1-V31 HydrophobicContact SD-CG1 3.83Å; M1-V31 HydrophobicContact SD-CG2 4.02Å; T29-V31 PolarHBondContact O-N 3.15Å
32	Y	37.3	Very low	48.9	Very low	108 Å²	108	81.6 Å²	81.6	42%	0.424	46%	0.459	S	S	.	.			trans	-65.5	130.4	164.4	-68.3	-74.2	0	0	0	110	Q19 G30 G34	Q19-Y32 HydrophobicContact CG-CE1 4.3Å; Q19-Y32 PolarHBondContact NE2-OH 3.24Å; G30-Y32 PolarHBondContact O-N 3.39Å; Y32-G34 PolarHBondContact O-N 3.44Å
33	R	32.2	Very low	46.8	Very low	186 Å²	186	88.9 Å²	88.9	70%	0.702	49%	0.493	S	S	*	.			trans	-69.6	88.9	166.9	-91.3	176.6	153.2	169.3	-9.3	109.6	E13	E13-R33 IonicContact OE2-CZ 3.95Å; E13-R33 IonicContact OE2-NH1 2.92Å; E13-R33 PolarHBondContact OE2-NH1 3.24Å
34	G	31.5	Very low	44.8	Very low	30 Å²	30	87.5 Å²	87.5	31%	0.309	48%	0.482	S	S	.	.			trans	-145.6	57.4	-166.5	0	0	0	0	0	117.1	Y32 R48	Y32-G34 PolarHBondContact O-N 3.44Å; G34-R48 PolarHBondContact O-NH1 3.16Å; G34-R48 VanDerWaalsContact O-NH1 3.16Å
35	V	30.5	Very low	43.1	Very low	64 Å²	64	87.3 Å²	87.3	39%	0.388	48%	0.475	S	S	.	.			trans	42.4	104.3	166	-173.4	0	0	0	0	115.9	Q37	V35-Q37 PolarHBondContact O-N 2.92Å
36	T	30	Very low	41.2	Very low	138 Å²	138	86.8 Å²	86.8	85%	0.847	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-58.9	123.4	164.7	45.7	0	0	0	0	110.8
37	Q	33	Very low	39.6	Very low	109 Å²	109	86.4 Å²	86.4	51%	0.509	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-67.8	139	170.9	-171.1	168.7	2.3	0	0	109.8	V35 T44	V35-Q37 PolarHBondContact O-N 2.92Å; Q37-T44 HydrophobicContact CG-CG2 4.3Å; Q37-T44 PolarHBondContact NE2-OG1 3.07Å; Q37-T44 VanDerWaalsContact NE2-OG1 3.08Å
38	S	31.7	Very low	37.9	Very low	52 Å²	52	88 Å²	88	36%	0.364	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.7	140.9	173.9	-170.6	0	0	0	0	110.4	D40	S38-D40 PolarHBondContact OG-N 2.76Å; S38-D40 VanDerWaalsContact OG-N 3.15Å
39	Q	34.2	Very low	36.6	Very low	174 Å²	174	90.1 Å²	90.1	81%	0.813	47%	0.47	S	S	*	.	S	Bend	trans	-75.2	-18.3	169.7	-67.2	-172	-52.8	0	0	111.6	F41	Q39-F41 WeakPolarHBondContact O-CD2 3.38Å; Q39-F41 PolarHBondContact O-N 2.79Å
40	D	31.3	Very low	35.3	Very low	112 Å²	112	95.9 Å²	95.9	60%	0.599	50%	0.499	S	S	*	.	S	Bend	trans	-78.5	113.1	169.9	-57.2	-53.1	0	0	0	109.3	S38 S42	S38-D40 PolarHBondContact OG-N 2.76Å; S38-D40 VanDerWaalsContact OG-N 3.15Å; D40-S42 PolarHBondContact O-N 2.81Å
41	F	36.1	Very low	34.4	Very low	169 Å²	169	101.5 Å²	101.5	74%	0.741	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	5.5	-178.5	-71.2	-98	0	0	0	114.4	Q39	Q39-F41 WeakPolarHBondContact O-CD2 3.38Å; Q39-F41 PolarHBondContact O-N 2.79Å
42	S	34.6	Very low	33.7	Very low	97 Å²	97	107.8 Å²	107.8	68%	0.678	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-32.2	-169.8	43.9	0	0	0	0	115.1	D40	D40-S42 PolarHBondContact O-N 2.81Å
43	E	35.3	Very low	33.3	Very low	157 Å²	157	109.1 Å²	109.1	73%	0.734	56%	0.558	S	S	*	*	S	Bend	trans	-113.8	-24.7	-164.3	-61.9	-163.9	151.7	0	0	116.2	R45	E43-R45 PolarHBondContact O-N 2.87Å
44	T	37.2	Very low	33.2	Very low	31 Å²	31	108.5 Å²	108.5	19%	0.19	56%	0.562	C	S	.	*			trans	-95.5	88.9	-170.5	63.7	0	0	0	0	113.7	Q37 G46	Q37-T44 HydrophobicContact CG-CG2 4.3Å; Q37-T44 PolarHBondContact NE2-OG1 3.07Å; Q37-T44 VanDerWaalsContact NE2-OG1 3.08Å; T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 3.23Å
45	R	42	Very low	32.9	Very low	133 Å²	133	115.4 Å²	115.4	50%	0.502	59%	0.587	S	S	.	*			trans	-68.6	66.4	175.4	-76.2	178.6	158.7	157.4	-8.3	114.1	E43 L47 D160	E43-R45 PolarHBondContact O-N 2.87Å; R45-L47 PolarHBondContact O-N 3.42Å; R45-D160 IonicContact CZ-OD1 2.76Å; R45-D160 IonicContact NH2-OD1 3.86Å; R45-D160 PolarHBondContact NH2-OD1 2.85Å; R45-D160 IonicContact NH2-OD2 2.77Å
46	G	39	Very low	32.8	Very low	23 Å²	23	120.3 Å²	120.3	24%	0.237	61%	0.609	C	S	.	*	S	Bend	trans	67.5	2.4	166	0	0	0	0	0	117.5	T44	T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 3.23Å
47	L	39.1	Very low	32.6	Very low	48 Å²	48	118.7 Å²	118.7	25%	0.251	60%	0.599	S	S	.	*	S	Bend	trans	-130.9	139.5	177.2	-63.5	169	0	0	0	107.5	R45 V49 E131 T134	R45-L47 PolarHBondContact O-N 3.42Å; L47-V49 PolarHBondContact O-N 3.48Å; L47-E131 HydrophobicContact CD2-CB 4.34Å; L47-T134 HydrophobicContact CD2-CG2 4.37Å; L47-T134 HydrophobicContact CG-CG2 4.31Å
48	R	37.2	Very low	32.3	Very low	73 Å²	73	117.9 Å²	117.9	28%	0.275	61%	0.605	S	S	.	*			trans	-61.6	112.3	176.3	-70	-165.3	-171.8	177.8	10.3	109.2	G34 I50 E254	G34-R48 PolarHBondContact O-NH1 3.16Å; G34-R48 VanDerWaalsContact O-NH1 3.16Å; R48-I50 PolarHBondContact O-N 3.39Å; R48-E254 IonicContact CZ-OE1 3.59Å; R48-E254 IonicContact NH1-OE1 3.57Å; R48-E254 PolarHBondContact NH1-OE1 3.32Å; R48-E254 IonicContact NH2-OE1 3.39Å; R48-E254 PolarHBondContact NH2-OE1 3.24Å; R48-E254 IonicContact NH2-OE2 2.78Å; R48-E254 PolarHBondContact NH2-OE2 2.82Å
49	V	33.2	Very low	32.3	Very low	86 Å²	86	123.4 Å²	123.4	52%	0.521	63%	0.625	S	S	.	*			trans	-78.7	112.6	175.5	179.2	0	0	0	0	108.2	L47 Q51	L47-V49 PolarHBondContact O-N 3.48Å; V49-Q51 PolarHBondContact O-N 3.36Å
50	I	27.8	Very low	32	Very low	132 Å²	132	120 Å²	120	68%	0.677	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-67.7	116.8	169	-55.8	174.6	0	0	0	107.1	R48 K52	R48-I50 PolarHBondContact O-N 3.39Å; I50-K52 PolarHBondContact O-N 2.9Å
51	Q	27.5	Very low	31.8	Very low	158 Å²	158	121.2 Å²	121.2	74%	0.738	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-53.9	138	175.1	-82.2	-177.9	-37	0	0	110.4	V49 T53	V49-Q51 PolarHBondContact O-N 3.36Å; Q51-T53 PolarHBondContact O-N 3.09Å
52	K	27.6	Very low	31.5	Very low	184 Å²	184	122 Å²	122	80%	0.8	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-64	119.7	162.2	-73.1	179.2	177.8	176.8	0	106.9	I50 E54	I50-K52 PolarHBondContact O-N 2.9Å; K52-E54 PolarHBondContact O-N 3.31Å
53	T	28.9	Very low	31.1	Very low	136 Å²	136	121.7 Å²	121.7	83%	0.834	64%	0.636	S	S	*	*			trans	-67.1	100	173	-33.9	0	0	0	0	108.8	Q51	Q51-T53 PolarHBondContact O-N 3.09Å
54	E	29	Very low	30.8	Very low	172 Å²	172	118.3 Å²	118.3	80%	0.804	64%	0.635	S	S	*	*			trans	-69.1	146.2	170	-64.9	-164.3	147.2	0	0	110.2	K52 I56	K52-E54 PolarHBondContact O-N 3.31Å; E54-I56 PolarHBondContact O-N 2.91Å
55	H	26.1	Very low	30.3	Very low	176 Å²	176	122.9 Å²	122.9	82%	0.815	66%	0.663	S	S	*	*			trans	-76.4	84.8	-168.5	-106.9	-103.6	0	0	0	111.7	V57	H55-V57 HydrophobicContact CB-CG2 4.17Å; H55-V57 PolarHBondContact O-N 3.15Å
56	I	28.6	Very low	29.7	Very low	166 Å²	166	123.2 Å²	123.2	85%	0.851	68%	0.675	S	S	*	*			trans	-72.7	83.8	161.9	-55.8	-177.1	0	0	0	108.2	E54	E54-I56 PolarHBondContact O-N 2.91Å
57	V	24.5	Very low	29.3	Very low	105 Å²	105	127.8 Å²	127.8	64%	0.636	69%	0.694	S	S	*	*			trans	-78.9	144.5	171.8	171.6	0	0	0	0	109.6	H55	H55-V57 HydrophobicContact CB-CG2 4.17Å; H55-V57 PolarHBondContact O-N 3.15Å
58	S	28.4	Very low	28.7	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	72%	0.72	S	S	*	*			trans	71.3	140.5	179.9	82.6	0	0	0	0	114.3
59	Q	31.1	Very low	28.2	Very low	168 Å²	168	133 Å²	133	79%	0.785	74%	0.737	S	S	*	*			cis	-141.8	131.6	23.8	-63.2	171.4	-6	0	0	113.6
60	S	28.6	Very low	27.9	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	75%	0.749	S	S	*	*			trans	63.3	158.4	142.8	77	0	0	0	0	120
61	N	26.7	Very low	28	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	75%	0.751	S	S	*	*			cis	-166.6	155.9	-30	-105.6	-15.5	0	0	0	107.8
62	Q	29	Very low	27.9	Very low	185 Å²	185	131.7 Å²	131.7	86%	0.864	74%	0.744	S	S	*	*			trans	66.6	149.5	163.8	-64.3	158.1	7.7	0	0	116.5
63	A	27.3	Very low	28	Very low	91 Å²	91	134.5 Å²	134.5	75%	0.752	75%	0.75	S	S	*	*			cis	-164	160.9	-21.2	0	0	0	0	0	109.7
64	A	28.9	Very low	27.8	Very low	87 Å²	87	137.2 Å²	137.2	72%	0.719	75%	0.75	S	S	*	*			trans	54.1	116.5	167.2	0	0	0	0	0	117.5
65	T	25.2	Very low	27.7	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	75%	0.753	S	S	*	*				55.4	106.7	53.8	76.4	0	0	0	0	115.1
66	D	30.7	Very low	27.6	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	75%	0.746	S	S	*	*				-166	140.8	128.5	-111.5	-1.7	0	0	0	113.4
67	N	30	Very low	27.7	Very low	119 Å²	119	133.3 Å²	133.3	64%	0.636	75%	0.745	S	S	*	*			trans	45.1	119.6	152.6	-53	-52.1	0	0	0	120.7
68	I	27.3	Very low	27.9	Very low	155 Å²	155	135 Å²	135	80%	0.795	75%	0.746	S	S	*	*			cis	101.9	135.1	44.3	-77.8	170.7	0	0	0	113.5
69	A	26.3	Very low	28	Very low	76 Å²	76	136.4 Å²	136.4	63%	0.628	75%	0.753	S	S	*	*			trans	85.3	132.6	161.3	0	0	0	0	0	121
70	D	27.3	Very low	28	Very low	147 Å²	147	136.6 Å²	136.6	79%	0.786	76%	0.759	S	S	*	*			trans	65.2	145.9	144.8	-64	-19.5	0	0	0	121.1
71	T	29.1	Very low	28.1	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	76%	0.759	S	S	*	*			cis	-149.9	146.2	1.3	-0.3	0	0	0	0	113.5
72	S	25	Very low	28.2	Very low	86 Å²	86	135.6 Å²	135.6	60%	0.601	76%	0.758	S	S	*	*			trans	21.6	134.8	148.3	69.4	0	0	0	0	122.1
73	R	29.4	Very low	28.2	Very low	243 Å²	243	136.1 Å²	136.1	92%	0.917	76%	0.76	S	S	*	*				-168.6	141.4	102.7	-99.1	158.3	-164.2	-162.9	4.2	112.5
74	F	24.8	Very low	28.4	Very low	193 Å²	193	137.3 Å²	137.3	85%	0.846	75%	0.754	S	S	*	*			trans	-92.9	150.7	179	-72.6	-102.2	0	0	0	111.9
75	V	27.2	Very low	28.4	Very low	142 Å²	142	140.5 Å²	140.5	86%	0.861	75%	0.754	S	S	*	*			trans	-128.6	123.8	139.6	179.3	0	0	0	0	107.4
76	K	25.1	Very low	28.5	Very low	153 Å²	153	140.2 Å²	140.2	67%	0.665	75%	0.748	S	S	*	*			trans	-110.5	134.7	179.1	-167.6	-170.2	-166.9	-170.2	0	108	E78	K76-E78 HydrophobicContact CD-CG 3.94Å; K76-E78 WeakPolarHBondContact CE-OE1 3.41Å; K76-E78 HydrophobicContact CG-CG 4.17Å; K76-E78 IonicContact NZ-OE1 2.71Å; K76-E78 PolarHBondContact NZ-OE1 3.4Å
77	V	29.3	Very low	28.2	Very low	137 Å²	137	140 Å²	140	83%	0.83	74%	0.744	S	S	*	*			trans	-122.2	120.4	167.3	-178.1	0	0	0	0	106.3
78	E	28.6	Very low	28.2	Very low	140 Å²	140	141.4 Å²	141.4	65%	0.654	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-94.4	157.6	-175.9	-72.6	-170.6	136.9	0	0	112.2	K76	K76-E78 HydrophobicContact CD-CG 3.94Å; K76-E78 WeakPolarHBondContact CE-OE1 3.41Å; K76-E78 HydrophobicContact CG-CG 4.17Å; K76-E78 IonicContact NZ-OE1 2.71Å; K76-E78 PolarHBondContact NZ-OE1 3.4Å
79	P	30.8	Very low	28.1	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-92.1	136.3	177.9	35.1	-31.7	0	0	0	112.1
80	D	31.6	Very low	28.2	Very low	172 Å²	172	142.3 Å²	142.3	92%	0.92	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-80.7	135.4	171.3	-82.8	-42.4	0	0	0	112.6
81	S	30.2	Very low	28.2	Very low	103 Å²	103	141 Å²	141	72%	0.72	76%	0.762	S	S	*	*			trans	-103.8	177.4	165.7	58.3	0	0	0	0	108.1
82	T	28.8	Very low	28	Very low	116 Å²	116	147 Å²	147	71%	0.712	77%	0.772	S	S	*	*			cis	-145.4	157.8	12.1	42.1	0	0	0	0	109.4
83	H	30.2	Very low	28.1	Very low	196 Å²	196	150.4 Å²	150.4	91%	0.907	78%	0.778	S	S	*	*				-156.6	162	129.9	-119.6	-48	0	0	0	109.6
84	D	29.8	Very low	28	Very low	116 Å²	116	146 Å²	146	62%	0.62	77%	0.773	S	S	*	*			trans	-145.2	150.1	-141.8	-167.3	23.7	0	0	0	112.3
85	Q	30.1	Very low	28.2	Very low	153 Å²	153	144.9 Å²	144.9	72%	0.715	78%	0.775	S	S	*	*			trans	63.9	148.8	171.9	-60.2	161.2	50.5	0	0	115.7
86	N	27.3	Very low	28.2	Very low	120 Å²	120	145.5 Å²	145.5	64%	0.642	77%	0.772	S	S	*	*			cis	-160.1	172.1	11.8	-144.6	-29.6	0	0	0	113.1
87	M	25.1	Very low	28.4	Very low	137 Å²	137	144.9 Å²	144.9	68%	0.675	78%	0.776	S	S	*	*			trans	74.4	114.9	155.3	-65.1	-62.2	162.8	0	0	122.3
88	N	28.7	Very low	28.4	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	78%	0.779	S	S	*	*			trans	89.4	106.2	136.6	-62.7	-12.3	0	0	0	121
89	S	25.4	Very low	28.4	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	79%	0.786	S	S	*	*			trans	-88	130.6	168.3	52.2	0	0	0	0	113
90	V	27.5	Very low	28.4	Very low	131 Å²	131	147.3 Å²	147.3	79%	0.794	79%	0.787	S	S	*	*			trans	-143.6	141.6	160.5	178.5	0	0	0	0	108.5
91	C	27.5	Very low	28.5	Very low	121 Å²	121	146.6 Å²	146.6	82%	0.818	78%	0.784	S	S	*	*			trans	56.8	105.4	177.6	-68.5	0	0	0	0	116.6
92	R	25.3	Very low	28.5	Very low	242 Å²	242	148.7 Å²	148.7	91%	0.913	79%	0.786	S	S	*	*			trans	-133.3	58.8	174	-170.2	-166.9	168.3	169.7	-3.3	109.7
93	E	26.6	Very low	28.5	Very low	157 Å²	157	149.6 Å²	149.6	73%	0.734	79%	0.786	S	S	*	*			trans	-128.4	-177.6	173.8	-89.3	91.4	-164.6	0	0	110.4	L95	E93-L95 PolarHBondContact O-N 3.04Å
94	D	28.8	Very low	28.6	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	78%	0.784	S	S	*	*	S	Bend	trans	67.2	4.3	170.4	-58.2	-20.2	0	0	0	120
95	L	28.1	Very low	28.6	Very low	169 Å²	169	150.3 Å²	150.3	89%	0.885	80%	0.798	S	S	*	*	S	Bend	trans	-91.9	10.9	178.2	-109.7	171.3	0	0	0	116.3	E93	E93-L95 PolarHBondContact O-N 3.04Å
96	L	28.4	Very low	28.3	Very low	154 Å²	154	146.7 Å²	146.7	81%	0.806	80%	0.802	S	S	*	*	S	Bend	trans	-137.2	3	-172.4	-86.3	170	0	0	0	117.3
97	N	27.4	Very low	28.4	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	81%	0.808	S	S	*	*	S	Bend	trans	-108.9	50.2	-173.1	-69.4	-12.3	0	0	0	114.1
98	T	31.1	Very low	28.3	Very low	144 Å²	144	149.2 Å²	149.2	88%	0.883	82%	0.82	S	S	*	*			trans	-161.9	50	165	-1.5	0	0	0	0	112.9
99	L	28.6	Very low	28.4	Very low	153 Å²	153	148.3 Å²	148.3	80%	0.801	82%	0.82	S	S	*	*	S	Bend	trans	-114.6	148.2	157.4	-73.4	172.4	0	0	0	108.1
100	D	30.2	Very low	28.4	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	81%	0.812	S	S	*	*			trans	66.4	178.2	-177.7	-53.8	-35	0	0	0	116.1
101	D	32.9	Very low	28.2	Very low	158 Å²	158	150.9 Å²	150.9	85%	0.845	82%	0.818	S	S	*	*			trans	60.7	121.4	-164.2	-58.3	-6.8	0	0	0	116.1
102	D	30.7	Very low	28.2	Very low	146 Å²	146	151.7 Å²	151.7	78%	0.781	81%	0.812	S	S	*	*			cis	-157.7	-176.4	-12.5	-155	-14.1	0	0	0	109.9
103	L	29.1	Very low	28.2	Very low	135 Å²	135	148 Å²	148	71%	0.707	81%	0.811	S	S	*	*			trans	98.6	78.3	-179.1	-60.5	166.4	0	0	0	116.2
104	F	31.4	Very low	28.2	Very low	198 Å²	198	144.6 Å²	144.6	87%	0.868	80%	0.802	S	S	*	*	S	Bend		-178	105.3	120.5	-98.6	-63.5	0	0	0	111.9
105	S	29.8	Very low	28.1	Very low	129 Å²	129	144.6 Å²	144.6	90%	0.902	81%	0.808	S	S	*	*			trans	62.3	145.7	173.8	70.2	0	0	0	0	117.2
106	G	25	Very low	28	Very low	77 Å²	77	144.6 Å²	144.6	79%	0.794	80%	0.804	S	S	*	*			cis	139	23.8	1	0	0	0	0	0	116.1
107	S	29.8	Very low	28	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	80%	0.804	S	S	*	*			trans	-161.8	128.2	169.9	58.1	0	0	0	0	111.7
108	E	23	Very low	28	Very low	199 Å²	199	148.5 Å²	148.5	93%	0.93	81%	0.81	S	S	*	*			trans	-71.3	123.3	174.2	-60.6	169.6	101.8	0	0	111.5
109	V	29	Very low	27.9	Very low	129 Å²	129	150.3 Å²	150.3	78%	0.782	81%	0.806	S	S	*	*			trans	-140.3	130.6	154.2	-175.6	0	0	0	0	109.4
110	S	25.6	Very low	27.9	Very low	93 Å²	93	147.4 Å²	147.4	65%	0.65	80%	0.797	S	S	*	*			trans	-49.3	137.9	-174.9	54.7	0	0	0	0	116.1	I112	S110-I112 PolarHBondContact O-N 3.29Å
111	F	23.7	Very low	28.1	Very low	210 Å²	210	146.3 Å²	146.3	92%	0.921	79%	0.786	S	S	*	*			trans	-59.6	117.6	165.8	-73.8	-93.7	0	0	0	111.8
112	I	28.7	Very low	28.3	Very low	138 Å²	138	144.8 Å²	144.8	71%	0.708	77%	0.773	S	S	*	*			trans	-123.2	134.3	158	-62	177.4	0	0	0	106.1	S110 P114	S110-I112 PolarHBondContact O-N 3.29Å; I112-P114 WeakPolarHBondContact O-CD 3.47Å
113	N	25.5	Very low	28.6	Very low	163 Å²	163	147.6 Å²	147.6	87%	0.872	77%	0.773	S	S	*	*			trans	-79.5	118.9	175.2	-74.7	-41.3	0	0	0	110.8
114	P	26	Very low	29	Very low	86 Å²	86	146.7 Å²	146.7	56%	0.558	77%	0.765	S	S	*	*			trans	-118.4	141.5	146.6	35.7	-32.2	0	0	0	112	I112 Q116	I112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-Q116 HydrophobicContact CB-CG 4.32Å; P114-Q116 HydrophobicContact CG-CG 4.05Å; P114-Q116 PolarHBondContact O-N 2.81Å
115	T	25.4	Very low	29.4	Very low	152 Å²	152	140 Å²	140	93%	0.933	73%	0.734	S	S	*	*			trans	-66.2	72.8	169	35.3	0	0	0	0	111.8	K117	T115-K117 PolarHBondContact O-N 2.9Å
116	Q	27.4	Very low	30.2	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	71%	0.713	S	S	*	*			trans	-84.2	100.1	176.8	-74.6	-168.4	11.1	0	0	111.8	P114 E118	P114-Q116 HydrophobicContact CB-CG 4.32Å; P114-Q116 HydrophobicContact CG-CG 4.05Å; P114-Q116 PolarHBondContact O-N 2.81Å; Q116-E118 PolarHBondContact O-N 3.24Å
117	K	27.5	Very low	31.6	Very low	187 Å²	187	137.5 Å²	137.5	81%	0.813	69%	0.69	S	S	*	*			trans	-2.4	114.9	160.1	-63.6	176.9	177.9	179.8	0	114.9	T115 K119	T115-K117 PolarHBondContact O-N 2.9Å; K117-K119 PolarHBondContact O-N 2.76Å
118	E	26.9	Very low	33	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	66%	0.662	S	S	*	*			trans	-47.3	127.5	159.4	-62	-179.2	129.8	0	0	109.2	Q116 C120	Q116-E118 PolarHBondContact O-N 3.24Å; E118-C120 PolarHBondContact O-N 2.96Å
119	K	29.5	Very low	34.9	Very low	182 Å²	182	127.2 Å²	127.2	79%	0.791	63%	0.628	S	S	*	*			trans	-68.7	99.1	174.7	-73.1	-171.2	177	-173.9	0	108.1	K117 F121	K117-K119 PolarHBondContact O-N 2.76Å; K119-F121 PolarHBondContact O-N 3.22Å
120	C	28.7	Very low	36.9	Very low	92 Å²	92	121.4 Å²	121.4	62%	0.622	59%	0.593	S	S	*	*			trans	-56.5	113.6	179.3	-164.2	0	0	0	0	109	E118 E122	E118-C120 PolarHBondContact O-N 2.96Å; C120-E122 PolarHBondContact O-N 2.82Å
121	F	35.1	Very low	38.9	Very low	129 Å²	129	117.5 Å²	117.5	57%	0.566	57%	0.565	S	S	*	*			trans	-56.6	133	166.9	-80.6	-99.3	0	0	0	108.2	K119 R123 W127	K119-F121 PolarHBondContact O-N 3.22Å; F121-R123 WeakPolarHBondContact O-CG 3.4Å; F121-R123 PolarHBondContact O-N 2.85Å; F121-W127 HydrophobicContact CD1-CH2 4.34Å; F121-W127 HydrophobicContact CD1-CZ2 4.24Å; F121-W127 HydrophobicContact CE1-CH2 4.35Å
122	E	36.9	Very low	41.2	Very low	125 Å²	125	107.7 Å²	107.7	58%	0.584	52%	0.522	S	S	*	.			trans	-57.7	101.4	177	-68.8	169.7	176.5	0	0	109.7	C120 H124 R125	C120-E122 PolarHBondContact O-N 2.82Å; E122-H124 PolarHBondContact O-N 3.37Å; E122-R125 PolarHBondContact O-N 3.36Å
123	R	36	Very low	43.5	Very low	205 Å²	205	101.2 Å²	101.2	77%	0.774	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-1.4	-168.8	-66	-177.3	175	178.4	-3.3	114.6	F121	F121-R123 WeakPolarHBondContact O-CG 3.4Å; F121-R123 PolarHBondContact O-N 2.85Å
124	H	37.2	Very low	46.1	Very low	116 Å²	116	93.5 Å²	93.5	54%	0.537	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-14.1	-168.4	-58.6	-73.1	0	0	0	114.9	E122 R464	E122-H124 PolarHBondContact O-N 3.37Å; H124-R464 PolarHBondContact O-NH2 2.94Å
125	R	41.5	Very low	48.5	Very low	58 Å²	58	92.1 Å²	92.1	22%	0.219	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-63.8	130	179.1	-179.8	178	170.4	-105.8	-10.5	111	E122 W127 E131	E122-R125 PolarHBondContact O-N 3.36Å; R125-W127 VanDerWaalsContact O-CD1 3.26Å; R125-W127 PolarHBondContact O-N 3.39Å; R125-E131 IonicContact CZ-OE1 3.78Å; R125-E131 IonicContact NH1-OE1 3.21Å; R125-E131 PolarHBondContact NH1-OE1 2.82Å; R125-E131 IonicContact NH1-OE2 3.81Å; R125-E131 IonicContact NH2-OE1 3.68Å; R125-E131 PolarHBondContact NH2-OE1 3.37Å; R125-E131 IonicContact NH2-OE2 3.95Å
126	P	46.5	Very low	51.2	Low	70 Å²	70	85.1 Å²	85.1	46%	0.455	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-71.2	126.9	168.8	29.3	-32.9	0	0	0	110.5
127	W	52.8	Low	54	Low	83 Å²	83	77 Å²	77	31%	0.314	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-85.5	139.4	177.4	-65.5	73.9	0	0	0	110.4	F121 R125 E131 A460 F461	F121-W127 HydrophobicContact CD1-CH2 4.34Å; F121-W127 HydrophobicContact CD1-CZ2 4.24Å; F121-W127 HydrophobicContact CE1-CH2 4.35Å; R125-W127 VanDerWaalsContact O-CD1 3.26Å; R125-W127 PolarHBondContact O-N 3.39Å; W127-E131 WeakPolarHBondContact CA-OE2 3.34Å; W127-E131 WeakPolarHBondContact CB-OE2 3.33Å; W127-E131 HydrophobicContact CE3-CB 4.09Å; W127-E131 HydrophobicContact CE3-CG 4.46Å; W127-E131 VanDerWaalsContact CE3-OE2 3.29Å; W127-A460 PolarHBondContact NE1-O 3.45Å; W127-F461 HydrophobicContact CD2-CD1 4.22Å; W127-F461 HydrophobicContact CD2-CE1 4.27Å; W127-F461 HydrophobicContact CE3-CD1 4.08Å; W127-F461 AromaticContact CE3-CE1 3.66Å; W127-F461 HydrophobicContact CE3-CE1 3.66Å; W127-F461 HydrophobicContact CE3-CZ 4.47Å; W127-F461 HydrophobicContact CG-CD1 4.44Å; W127-F461 HydrophobicContact CZ3-CE1 4.06Å; W127-F461 HydrophobicContact CZ3-CZ 4.44Å
128	R	60.1	Low	56.6	Low	56 Å²	56	73.6 Å²	73.6	21%	0.211	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-71.1	141	170.7	-63.7	-173.3	-177.9	-179.8	3.4	108.4	S130 E131 P132 E175 E254	R128-S130 PolarHBondContact O-N 3.44Å; R128-S130 VanDerWaalsContact O-N 3.07Å; R128-E131 HydrophobicContact CB-CG 4.25Å; R128-E131 PolarHBondContact N-OE2 3.08Å; R128-E131 WeakPolarHBondContact O-CB 3.43Å; R128-E131 PolarHBondContact O-N 2.9Å; R128-P132 VanDerWaalsContact O-CD 3.25Å; R128-P132 WeakPolarHBondContact O-CD 3.36Å; R128-E175 PolarHBondContact NH1-O 3.12Å; R128-E254 IonicContact CZ-OE2 2.72Å; R128-E254 IonicContact NH2-OE2 3.21Å; R128-E254 PolarHBondContact NH2-OE2 3.11Å
129	L	64.1	Low	59.3	Low	39 Å²	39	71.3 Å²	71.3	20%	0.204	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22	-179.2	-81.8	167.7	0	0	0	113.4	P132 F133 V244 W246 L468	L129-P132 VanDerWaalsContact O-CD 3.29Å; L129-P132 WeakPolarHBondContact O-CD 3.47Å; L129-P132 VanDerWaalsContact O-CG 3.29Å; L129-P132 WeakPolarHBondContact O-CG 3.47Å; L129-F133 WeakPolarHBondContact O-CD2 3.19Å; L129-V244 HydrophobicContact CD1-CG1 3.94Å; L129-W246 HydrophobicContact CB-CE3 3.4Å; L129-W246 VanDerWaalsContact CB-CE3 3.4Å; L129-W246 HydrophobicContact CB-CZ3 3.84Å; L129-W246 WeakPolarHBondContact O-CZ3 3.48Å; L129-L468 HydrophobicContact CD1-CD1 4.03Å; L129-L468 HydrophobicContact CD1-CD2 3.88Å; L129-L468 HydrophobicContact CD1-CG 4.49Å; L129-L468 HydrophobicContact CD2-CB 4.02Å; L129-L468 HydrophobicContact CD2-CD1 3.95Å; L129-L468 HydrophobicContact CD2-CD2 4.36Å; L129-L468 HydrophobicContact CD2-CG 4.32Å; L129-L468 HydrophobicContact CG-CD1 4.35Å
130	S	69.9	Low	62.2	Low	8 Å²	8	62.7 Å²	62.7	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-74.4	-24.8	176.5	44	0	0	0	0	113.6	R128 F133 T134 E175 W246	R128-S130 PolarHBondContact O-N 3.44Å; R128-S130 VanDerWaalsContact O-N 3.07Å; S130-F133 PolarHBondContact O-N 3.03Å; S130-T134 WeakPolarHBondContact O-CB 3.33Å; S130-T134 PolarHBondContact O-N 3.23Å; S130-T134 PolarHBondContact O-OG1 2.99Å; S130-E175 VanDerWaalsContact CB-OE2 3.27Å; S130-E175 WeakPolarHBondContact CB-OE2 3.48Å; S130-E175 PolarHBondContact OG-OE2 3.08Å; S130-W246 VanDerWaalsContact N-CE3 3.33Å
131	E	68.4	Low	64.9	Low	10 Å²	10	58.3 Å²	58.3	5%	0.047	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-48.6	178.1	-68.4	167.6	145.7	0	0	112.5	L47 R125 W127 R128 T134 F135 F461	L47-E131 HydrophobicContact CD2-CB 4.34Å; R125-E131 IonicContact CZ-OE1 3.78Å; R125-E131 IonicContact NH1-OE1 3.21Å; R125-E131 PolarHBondContact NH1-OE1 2.82Å; R125-E131 IonicContact NH1-OE2 3.81Å; R125-E131 IonicContact NH2-OE1 3.68Å; R125-E131 PolarHBondContact NH2-OE1 3.37Å; R125-E131 IonicContact NH2-OE2 3.95Å; W127-E131 WeakPolarHBondContact CA-OE2 3.34Å; W127-E131 WeakPolarHBondContact CB-OE2 3.33Å; W127-E131 HydrophobicContact CE3-CB 4.09Å; W127-E131 HydrophobicContact CE3-CG 4.46Å; W127-E131 VanDerWaalsContact CE3-OE2 3.29Å; R128-E131 HydrophobicContact CB-CG 4.25Å; R128-E131 PolarHBondContact N-OE2 3.08Å; R128-E131 WeakPolarHBondContact O-CB 3.43Å; R128-E131 PolarHBondContact O-N 2.9Å; E131-T134 WeakPolarHBondContact O-CB 3.44Å; E131-T134 PolarHBondContact O-N 3.47Å; E131-F135 PolarHBondContact O-N 3.26Å; E131-F461 HydrophobicContact CB-CE1 4.17Å
132	P	70.9	Confident	67.3	Low	4 Å²	4	55 Å²	55	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-36.8	175.1	22.8	-31.6	0	0	0	113.6	R128 L129 T134 F135 I136 F456 F461 I472	R128-P132 VanDerWaalsContact O-CD 3.25Å; R128-P132 WeakPolarHBondContact O-CD 3.36Å; L129-P132 VanDerWaalsContact O-CD 3.29Å; L129-P132 WeakPolarHBondContact O-CD 3.47Å; L129-P132 VanDerWaalsContact O-CG 3.29Å; L129-P132 WeakPolarHBondContact O-CG 3.47Å; P132-T134 VanDerWaalsContact C-N 3.34Å; P132-T134 PolarHBondContact O-N 3.13Å; P132-F135 PolarHBondContact O-N 2.64Å; P132-I136 WeakPolarHBondContact O-CG1 3.5Å; P132-I136 PolarHBondContact O-N 3.08Å; P132-F456 HydrophobicContact CB-CE1 3.73Å; P132-F456 HydrophobicContact CB-CZ 3.58Å; P132-F461 HydrophobicContact CB-CD1 3.85Å; P132-F461 HydrophobicContact CB-CE1 3.85Å; P132-F461 HydrophobicContact CB-CG 4.31Å; P132-F461 HydrophobicContact CB-CZ 4.3Å; P132-F461 HydrophobicContact CG-CD1 4.17Å; P132-F461 HydrophobicContact CG-CE1 4.28Å; P132-I472 HydrophobicContact CB-CD1 4.21Å; P132-I472 HydrophobicContact CG-CD1 4.32Å
133	F	77.5	Confident	69.6	Low	2 Å²	2	50.3 Å²	50.3	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-35.7	175.9	-81.2	-95	0	0	0	112.2	L129 S130 I136 M137 W166 W246 L387 M388 N391 L471 I472	L129-F133 WeakPolarHBondContact O-CD2 3.19Å; S130-F133 PolarHBondContact O-N 3.03Å; F133-I136 PolarHBondContact O-N 3Å; F133-M137 WeakPolarHBondContact O-CB 3.41Å; F133-M137 PolarHBondContact O-N 2.82Å; F133-W166 HydrophobicContact CB-CH2 3.94Å; F133-W166 HydrophobicContact CB-CZ2 4.07Å; F133-W246 HydrophobicContact CB-CH2 4.49Å; F133-W246 HydrophobicContact CD1-CH2 4.45Å; F133-W246 AromaticContact CD2-CH2 3.69Å; F133-W246 HydrophobicContact CD2-CH2 3.69Å; F133-W246 AromaticContact CD2-CZ3 3.57Å; F133-W246 HydrophobicContact CD2-CZ3 3.57Å; F133-W246 AromaticContact CE2-CH2 3.94Å; F133-W246 HydrophobicContact CE2-CH2 3.94Å; F133-W246 AromaticContact CE2-CZ3 3.89Å; F133-W246 HydrophobicContact CE2-CZ3 3.89Å; F133-W246 AromaticContact CG-CH2 3.96Å; F133-W246 HydrophobicContact CG-CH2 3.96Å; F133-W246 HydrophobicContact CG-CZ3 4.22Å; F133-W246 HydrophobicContact CZ-CH2 4.44Å; F133-L387 HydrophobicContact CD1-CB 4.49Å; F133-L387 HydrophobicContact CE1-CB 3.59Å; F133-L387 HydrophobicContact CZ-CB 3.83Å; F133-L387 HydrophobicContact CZ-CD1 4.08Å; F133-M388 HydrophobicContact CD1-SD 4.39Å; F133-M388 HydrophobicContact CE1-CG 4.23Å; F133-M388 HydrophobicContact CE1-SD 3.86Å; F133-N391 PolarHBondContact O-ND2 2.92Å; F133-L471 HydrophobicContact CZ-CB 4.25Å; F133-I472 HydrophobicContact CD2-CG1 4.39Å; F133-I472 HydrophobicContact CE2-CD1 4.11Å; F133-I472 HydrophobicContact CE2-CG1 3.6Å; F133-I472 HydrophobicContact CZ-CG1 3.72Å
134	T	79	Confident	71.9	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-44.8	171.6	-58.4	0	0	0	0	111.4	L47 S130 E131 P132 M137 R138 W163 W166	L47-T134 HydrophobicContact CD2-CG2 4.37Å; L47-T134 HydrophobicContact CG-CG2 4.31Å; S130-T134 WeakPolarHBondContact O-CB 3.33Å; S130-T134 PolarHBondContact O-N 3.23Å; S130-T134 PolarHBondContact O-OG1 2.99Å; E131-T134 WeakPolarHBondContact O-CB 3.44Å; E131-T134 PolarHBondContact O-N 3.47Å; P132-T134 VanDerWaalsContact C-N 3.34Å; P132-T134 PolarHBondContact O-N 3.13Å; T134-M137 PolarHBondContact O-N 2.96Å; T134-R138 WeakPolarHBondContact O-CB 3.41Å; T134-R138 PolarHBondContact O-N 3.46Å; T134-W163 HydrophobicContact CG2-CZ3 4.26Å; T134-W166 WeakPolarHBondContact OG1-CZ2 3.48Å; T134-W166 PolarHBondContact OG1-NE1 3.34Å
135	F	77.6	Confident	74.1	Confident	57 Å²	57	35.1 Å²	35.1	25%	0.25	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-45.2	175.9	180	-86.4	0	0	0	111.9	E131 P132 R138 R139 L455 F456 P457 F461	E131-F135 PolarHBondContact O-N 3.26Å; P132-F135 PolarHBondContact O-N 2.64Å; F135-R138 PolarHBondContact O-N 3.32Å; F135-R139 PolarHBondContact O-N 2.78Å; F135-R139 VanDerWaalsContact O-N 3.12Å; F135-L455 VanDerWaalsContact CE1-O 3.23Å; F135-L455 WeakPolarHBondContact CE1-O 3.45Å; F135-L455 WeakPolarHBondContact CZ-O 3.5Å; F135-F456 AromaticContact CD1-CD1 3.69Å; F135-F456 HydrophobicContact CD1-CD1 3.69Å; F135-F456 AromaticContact CD1-CE1 3.88Å; F135-F456 HydrophobicContact CD1-CE1 3.88Å; F135-F456 AromaticContact CE1-CD1 3.98Å; F135-F456 HydrophobicContact CE1-CD1 3.98Å; F135-F456 HydrophobicContact CG-CD1 4.47Å; F135-P457 HydrophobicContact CZ-CG 4.48Å; F135-F461 HydrophobicContact CB-CE2 4.48Å; F135-F461 HydrophobicContact CB-CZ 4.19Å; F135-F461 HydrophobicContact CG-CE2 4.32Å; F135-F461 HydrophobicContact CG-CZ 4.46Å
136	I	81.9	Confident	75.9	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-49.9	176	-69.9	171.2	0	0	0	110.5	P132 F133 R138 R139 Q140 M388 V452 F456 I472	P132-I136 WeakPolarHBondContact O-CG1 3.5Å; P132-I136 PolarHBondContact O-N 3.08Å; F133-I136 PolarHBondContact O-N 3Å; I136-R138 VanDerWaalsContact C-N 3.3Å; I136-R138 PolarHBondContact O-N 3.04Å; I136-R139 PolarHBondContact O-N 3.37Å; I136-R139 VanDerWaalsContact O-N 3.11Å; I136-Q140 HydrophobicContact CG2-CG 4.16Å; I136-Q140 WeakPolarHBondContact O-CG 3.34Å; I136-Q140 PolarHBondContact O-N 2.6Å; I136-M388 HydrophobicContact CD1-SD 4.1Å; I136-M388 HydrophobicContact CG2-CE 3.98Å; I136-M388 HydrophobicContact CG2-SD 4.37Å; I136-V452 HydrophobicContact CB-CG1 4.27Å; I136-V452 HydrophobicContact CD1-CG1 3.48Å; I136-V452 VanDerWaalsContact CD1-CG1 3.48Å; I136-V452 HydrophobicContact CG1-CG1 3.41Å; I136-V452 VanDerWaalsContact CG1-CG1 3.41Å; I136-V452 HydrophobicContact CG2-CG1 3.93Å; I136-F456 HydrophobicContact CD1-CE1 4.13Å; I136-F456 HydrophobicContact CD1-CZ 3.72Å; I136-F456 HydrophobicContact CG1-CE1 3.9Å; I136-F456 HydrophobicContact CG1-CZ 4.01Å; I136-I472 HydrophobicContact CD1-CG2 3.78Å
137	M	85.4	Confident	77.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-41.7	178.5	-172	173.1	-64	0	0	111.8	F133 T134 R139 Q140 A141 V162 W163 W166 N391 I394	F133-M137 WeakPolarHBondContact O-CB 3.41Å; F133-M137 PolarHBondContact O-N 2.82Å; T134-M137 PolarHBondContact O-N 2.96Å; M137-R139 VanDerWaalsContact C-N 3.28Å; M137-R139 PolarHBondContact O-N 2.72Å; M137-Q140 PolarHBondContact O-N 2.78Å; M137-A141 WeakPolarHBondContact O-CB 3.35Å; M137-A141 PolarHBondContact O-N 3.41Å; M137-V162 HydrophobicContact CG-CG1 3.94Å; M137-V162 HydrophobicContact SD-CG1 3.79Å; M137-W163 HydrophobicContact CB-CH2 4.45Å; M137-W163 HydrophobicContact CG-CH2 4.37Å; M137-W163 HydrophobicContact CG-CZ3 4.35Å; M137-W163 HydrophobicContact SD-CZ3 4.25Å; M137-W166 HydrophobicContact CE-CD2 3.57Å; M137-W166 HydrophobicContact CE-CE3 3.29Å; M137-W166 HydrophobicContact CE-CG 4.16Å; M137-W166 HydrophobicContact CE-CH2 4.15Å; M137-W166 HydrophobicContact CE-CZ2 4.41Å; M137-W166 HydrophobicContact CE-CZ3 3.59Å; M137-W166 HydrophobicContact SD-CB 3.7Å; M137-W166 HydrophobicContact SD-CD2 3.68Å; M137-W166 HydrophobicContact SD-CE3 4Å; M137-W166 HydrophobicContact SD-CG 3.6Å; M137-N391 HydrophobicContact CE-CB 4.27Å; M137-I394 HydrophobicContact CE-CB 4.25Å; M137-I394 HydrophobicContact CE-CD1 3.58Å; M137-I394 HydrophobicContact CE-CG2 4.11Å; M137-I394 HydrophobicContact SD-CG2 4.02Å
138	R	83.5	Confident	78.4	Confident	115 Å²	115	34.2 Å²	34.2	43%	0.434	15%	0.151	S	C	.	.	H	α-helix	trans	-60.2	-39.1	177.1	-172.5	161.1	178.4	175.3	-3.2	111.8	T134 F135 I136 N142 W163	T134-R138 WeakPolarHBondContact O-CB 3.41Å; T134-R138 PolarHBondContact O-N 3.46Å; F135-R138 PolarHBondContact O-N 3.32Å; I136-R138 VanDerWaalsContact C-N 3.3Å; I136-R138 PolarHBondContact O-N 3.04Å; R138-N142 PolarHBondContact O-N 3.16Å; R138-N142 PolarHBondContact O-ND2 2.87Å; R138-W163 HydrophobicContact CB-CH2 3.62Å; R138-W163 HydrophobicContact CB-CZ2 3.79Å; R138-W163 HydrophobicContact CG-CH2 4.22Å; R138-W163 HydrophobicContact CG-CZ2 3.87Å
139	R	83.8	Confident	79.1	Confident	141 Å²	141	36.2 Å²	36.2	53%	0.532	17%	0.166	S	C	.	.	H	α-helix	trans	-72.3	-44.9	175.8	-168.8	62.2	175	-164.7	-0	111.6	F135 I136 M137 N142 C143 L455	F135-R139 PolarHBondContact O-N 2.78Å; F135-R139 VanDerWaalsContact O-N 3.12Å; I136-R139 PolarHBondContact O-N 3.37Å; I136-R139 VanDerWaalsContact O-N 3.11Å; M137-R139 VanDerWaalsContact C-N 3.28Å; M137-R139 PolarHBondContact O-N 2.72Å; R139-N142 PolarHBondContact O-N 3.41Å; R139-C143 PolarHBondContact O-N 2.98Å; R139-C143 PolarHBondContact O-SG 2.84Å; R139-C143 VanDerWaalsContact O-SG 3.36Å; R139-L455 HydrophobicContact CG-CD1 4.23Å
140	Q	88.4	Confident	79.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-44.4	178.7	-69.7	171.6	-40.3	0	0	112.6	I136 M137 N142 C143 L144 N391 L395 L447 P448	I136-Q140 HydrophobicContact CG2-CG 4.16Å; I136-Q140 WeakPolarHBondContact O-CG 3.34Å; I136-Q140 PolarHBondContact O-N 2.6Å; M137-Q140 PolarHBondContact O-N 2.78Å; Q140-N142 PolarHBondContact O-N 3.39Å; Q140-C143 PolarHBondContact O-N 2.89Å; Q140-L144 WeakPolarHBondContact O-CB 3.3Å; Q140-L144 PolarHBondContact O-N 3.04Å; Q140-N391 PolarHBondContact OE1-ND2 3.28Å; Q140-L395 HydrophobicContact CB-CD1 3.64Å; Q140-L447 HydrophobicContact CB-CD1 3.96Å; Q140-L447 HydrophobicContact CG-CD1 4.35Å; Q140-L447 WeakPolarHBondContact O-CD1 3.21Å; Q140-P448 HydrophobicContact CG-CB 4.5Å; Q140-P448 WeakPolarHBondContact CG-O 3.33Å; Q140-P448 PolarHBondContact NE2-O 3.38Å
141	A	86.9	Confident	80	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.2	176.1	0	0	0	0	0	112.1	M137 L144 A145 F158 V162 L395	M137-A141 WeakPolarHBondContact O-CB 3.35Å; M137-A141 PolarHBondContact O-N 3.41Å; A141-L144 PolarHBondContact O-N 3.16Å; A141-A145 WeakPolarHBondContact O-CB 3.09Å; A141-A145 PolarHBondContact O-N 3.29Å; A141-F158 HydrophobicContact CB-CE1 4.22Å; A141-V162 HydrophobicContact CB-CG1 4.31Å; A141-V162 HydrophobicContact CB-CG2 4.49Å; A141-L395 HydrophobicContact CB-CD2 3.76Å
142	N	84.2	Confident	80.6	Confident	59 Å²	59	41.5 Å²	41.5	32%	0.316	20%	0.201	S	C	.	.	H	α-helix	trans	-69.2	-33.2	176.2	-83.4	-83.7	0	0	0	113	R138 R139 Q140 K146	R138-N142 PolarHBondContact O-N 3.16Å; R138-N142 PolarHBondContact O-ND2 2.87Å; R139-N142 PolarHBondContact O-N 3.41Å; Q140-N142 PolarHBondContact O-N 3.39Å; N142-K146 PolarHBondContact O-N 3.24Å
143	C	85	Confident	81.1	Confident	27 Å²	27	48.8 Å²	48.8	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-51.8	169.7	-72.2	0	0	0	0	110.7	R139 Q140 A145 K146 E147 L447	R139-C143 PolarHBondContact O-N 2.98Å; R139-C143 PolarHBondContact O-SG 2.84Å; R139-C143 VanDerWaalsContact O-SG 3.36Å; Q140-C143 PolarHBondContact O-N 2.89Å; C143-A145 VanDerWaalsContact C-N 3.33Å; C143-A145 PolarHBondContact O-N 3.07Å; C143-K146 WeakPolarHBondContact O-CB 3.34Å; C143-K146 PolarHBondContact O-N 3.08Å; C143-K146 VanDerWaalsContact O-N 3.09Å; C143-E147 WeakPolarHBondContact O-CG 3.09Å; C143-E147 PolarHBondContact O-N 3.01Å; C143-L447 HydrophobicContact CB-CD1 4.28Å
144	L	84.9	Confident	81.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-36.8	-177.5	-170.5	58.2	0	0	0	112.9	Q140 A141 K146 E147 L148 F158 L395 I433 L438 L441 L447	Q140-L144 WeakPolarHBondContact O-CB 3.3Å; Q140-L144 PolarHBondContact O-N 3.04Å; A141-L144 PolarHBondContact O-N 3.16Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 3.33Å; L144-E147 PolarHBondContact O-N 3.47Å; L144-L148 HydrophobicContact CG-CD1 4.18Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.91Å; L144-F158 HydrophobicContact CD2-CZ 4.07Å; L144-L395 HydrophobicContact CD2-CB 3.95Å; L144-I433 HydrophobicContact CD1-CD1 3.96Å; L144-I433 HydrophobicContact CD2-CD1 4.38Å; L144-I433 HydrophobicContact CG-CD1 4.39Å; L144-L438 HydrophobicContact CD1-CD2 3.81Å; L144-L438 HydrophobicContact CD2-CD2 3.81Å; L144-L441 HydrophobicContact CD1-CD1 3.76Å; L144-L447 HydrophobicContact CB-CD1 4.27Å
145	A	83.4	Confident	81.3	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-29.4	175	0	0	0	0	0	113.6	A141 C143 L150 K155 F158	A141-A145 WeakPolarHBondContact O-CB 3.09Å; A141-A145 PolarHBondContact O-N 3.29Å; C143-A145 VanDerWaalsContact C-N 3.33Å; C143-A145 PolarHBondContact O-N 3.07Å; A145-L150 HydrophobicContact CB-CD1 4.18Å; A145-L150 PolarHBondContact O-N 3.27Å; A145-K155 HydrophobicContact CB-CD 4.42Å; A145-K155 HydrophobicContact CB-CG 3.95Å; A145-F158 HydrophobicContact CB-CD1 4.06Å; A145-F158 HydrophobicContact CB-CE1 4.3Å
146	K	80.8	Confident	81.6	Confident	158 Å²	158	56 Å²	56	69%	0.687	27%	0.273	S	S	*	.	H	α-helix	trans	-72.1	-48	169.7	-77.5	-169.2	172.2	-156.8	0	111	N142 C143 L144 L148 N149	N142-K146 PolarHBondContact O-N 3.24Å; C143-K146 WeakPolarHBondContact O-CB 3.34Å; C143-K146 PolarHBondContact O-N 3.08Å; C143-K146 VanDerWaalsContact O-N 3.09Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 3.33Å; K146-L148 PolarHBondContact O-N 3.5Å; K146-N149 PolarHBondContact O-N 2.84Å; K146-N149 PolarHBondContact O-OD1 3.42Å
147	E	76.9	Confident	81.7	Confident	27 Å²	27	58.7 Å²	58.7	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-36.8	178.6	-73.1	-72	132.5	0	0	113	C143 L144 N149 L429 L441 R446	C143-E147 WeakPolarHBondContact O-CG 3.09Å; C143-E147 PolarHBondContact O-N 3.01Å; L144-E147 PolarHBondContact O-N 3.47Å; E147-N149 VanDerWaalsContact C-N 3.33Å; E147-L429 HydrophobicContact CB-CD1 3.8Å; E147-L429 VanDerWaalsContact O-CD1 3.32Å; E147-L429 WeakPolarHBondContact O-CD1 3.36Å; E147-L441 HydrophobicContact CG-CD2 4.49Å; E147-L441 WeakPolarHBondContact OE2-CD2 3.49Å; E147-R446 VanDerWaalsContact CD-NH2 3.27Å; E147-R446 IonicContact OE1-CZ 2.67Å; E147-R446 VanDerWaalsContact OE1-CZ 3.32Å; E147-R446 IonicContact OE1-NE 3.52Å; E147-R446 PolarHBondContact OE1-NE 3.33Å; E147-R446 IonicContact OE1-NH2 2.91Å; E147-R446 PolarHBondContact OE1-NH2 3.37Å; E147-R446 IonicContact OE2-CZ 2.82Å; E147-R446 IonicContact OE2-NE 3.53Å; E147-R446 PolarHBondContact OE2-NE 3.39Å; E147-R446 IonicContact OE2-NH2 2.81Å; E147-R446 PolarHBondContact OE2-NH2 3.33Å
148	L	74.4	Confident	81.7	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.042	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.2	176.2	-80.1	171.4	0	0	0	115.2	L144 K146 L150 T430 I433	L144-L148 HydrophobicContact CG-CD1 4.18Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.91Å; K146-L148 PolarHBondContact O-N 3.5Å; L148-L150 HydrophobicContact CB-CD1 4.42Å; L148-L150 HydrophobicContact CB-CD2 3.9Å; L148-L150 HydrophobicContact CB-CG 3.7Å; L148-L150 HydrophobicContact CD1-CD1 4.17Å; L148-L150 HydrophobicContact CD1-CD2 4.34Å; L148-L150 HydrophobicContact CD1-CG 4.27Å; L148-L150 PolarHBondContact O-N 3.3Å; L148-T430 WeakPolarHBondContact CD2-O 3.14Å; L148-I433 HydrophobicContact CD1-CD1 3.71Å; L148-I433 HydrophobicContact CD2-CD1 3.64Å; L148-I433 HydrophobicContact CD2-CG1 3.99Å; L148-I433 HydrophobicContact CG-CD1 3.9Å
149	N	73.8	Confident	81.8	Confident	98 Å²	98	53.9 Å²	53.9	52%	0.524	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	38.1	-172.4	-62.4	-54.4	0	0	0	113.7	K146 E147	K146-N149 PolarHBondContact O-N 2.84Å; K146-N149 PolarHBondContact O-OD1 3.42Å; E147-N149 VanDerWaalsContact C-N 3.33Å
150	L	75	Confident	81.8	Confident	20 Å²	20	50.3 Å²	50.3	11%	0.105	27%	0.267	C	S	.	.			trans	-65.2	135.9	-178.4	-63.3	-176.4	0	0	0	111.3	A145 L148 Q154 K155 F158	A145-L150 HydrophobicContact CB-CD1 4.18Å; A145-L150 PolarHBondContact O-N 3.27Å; L148-L150 HydrophobicContact CB-CD1 4.42Å; L148-L150 HydrophobicContact CB-CD2 3.9Å; L148-L150 HydrophobicContact CB-CG 3.7Å; L148-L150 HydrophobicContact CD1-CD1 4.17Å; L148-L150 HydrophobicContact CD1-CD2 4.34Å; L148-L150 HydrophobicContact CD1-CG 4.27Å; L148-L150 PolarHBondContact O-N 3.3Å; L150-Q154 HydrophobicContact CB-CB 4.02Å; L150-Q154 HydrophobicContact CD2-CB 4.32Å; L150-K155 HydrophobicContact CB-CB 4.14Å; L150-F158 HydrophobicContact CD1-CB 3.9Å; L150-F158 HydrophobicContact CD1-CD1 4.2Å; L150-F158 HydrophobicContact CD1-CG 4.09Å
151	S	77.9	Confident	81.7	Confident	45 Å²	45	52.1 Å²	52.1	32%	0.315	28%	0.278	S	S	.	.			trans	-58.9	161	169.3	82.7	0	0	0	0	111.1	E153 Q154 K155	S151-E153 VanDerWaalsContact C-N 3.29Å; S151-E153 PolarHBondContact O-N 3.2Å; S151-Q154 PolarHBondContact O-N 2.92Å; S151-Q154 VanDerWaalsContact O-N 3.09Å; S151-Q154 VanDerWaalsContact OG-CG 3.24Å; S151-Q154 WeakPolarHBondContact OG-CG 3.5Å; S151-Q154 PolarHBondContact OG-N 2.78Å; S151-Q154 PolarHBondContact OG-NE2 2.81Å; S151-K155 VanDerWaalsContact O-CB 3.3Å; S151-K155 WeakPolarHBondContact O-CB 3.31Å; S151-K155 PolarHBondContact O-N 3.29Å
152	V	81.4	Confident	81.6	Confident	103 Å²	103	52.1 Å²	52.1	62%	0.624	28%	0.278	S	S	*	.	H	α-helix	trans	-51.6	-47.3	-178.6	-177.2	0	0	0	0	112	K155 V156	V152-K155 PolarHBondContact O-N 3.35Å; V152-V156 WeakPolarHBondContact O-CG2 3.49Å; V152-V156 PolarHBondContact O-N 3.41Å
153	E	80.6	Confident	81.7	Confident	157 Å²	157	50.3 Å²	50.3	73%	0.734	27%	0.267	S	S	*	.	H	α-helix	trans	-61.7	-47.4	177.7	-60.4	172.5	168	0	0	112.6	S151 K155 V156 S157	S151-E153 VanDerWaalsContact C-N 3.29Å; S151-E153 PolarHBondContact O-N 3.2Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 3.39Å; E153-V156 PolarHBondContact O-N 3.48Å; E153-S157 PolarHBondContact O-N 3.23Å
154	Q	78.9	Confident	81.6	Confident	57 Å²	57	52.8 Å²	52.8	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-39.2	-179.9	-64.9	160.2	35.9	0	0	111.1	L150 S151 S157 F158	L150-Q154 HydrophobicContact CB-CB 4.02Å; L150-Q154 HydrophobicContact CD2-CB 4.32Å; S151-Q154 PolarHBondContact O-N 2.92Å; S151-Q154 VanDerWaalsContact O-N 3.09Å; S151-Q154 VanDerWaalsContact OG-CG 3.24Å; S151-Q154 WeakPolarHBondContact OG-CG 3.5Å; S151-Q154 PolarHBondContact OG-N 2.78Å; S151-Q154 PolarHBondContact OG-NE2 2.81Å; Q154-S157 PolarHBondContact O-N 3.41Å; Q154-F158 WeakPolarHBondContact O-CB 3.37Å; Q154-F158 PolarHBondContact O-N 3.11Å
155	K	83	Confident	81.6	Confident	79 Å²	79	53.3 Å²	53.3	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-39.5	175.1	173	178.8	174.2	-166.6	0	111.9	A145 L150 S151 V152 E153 C159	A145-K155 HydrophobicContact CB-CD 4.42Å; A145-K155 HydrophobicContact CB-CG 3.95Å; L150-K155 HydrophobicContact CB-CB 4.14Å; S151-K155 VanDerWaalsContact O-CB 3.3Å; S151-K155 WeakPolarHBondContact O-CB 3.31Å; S151-K155 PolarHBondContact O-N 3.29Å; V152-K155 PolarHBondContact O-N 3.35Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 3.39Å; K155-C159 VanDerWaalsContact O-CB 3.29Å; K155-C159 WeakPolarHBondContact O-CB 3.37Å; K155-C159 PolarHBondContact O-N 2.91Å; K155-C159 PolarHBondContact O-SG 3.44Å
156	V	83.6	Confident	81.7	Confident	77 Å²	77	53.4 Å²	53.4	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-55.2	173	169.9	0	0	0	0	109.8	V152 E153 F158 C159 D160	V152-V156 WeakPolarHBondContact O-CG2 3.49Å; V152-V156 PolarHBondContact O-N 3.41Å; E153-V156 PolarHBondContact O-N 3.48Å; V156-F158 VanDerWaalsContact C-N 3.33Å; V156-F158 PolarHBondContact O-N 3.01Å; V156-C159 PolarHBondContact O-N 3.22Å; V156-C159 VanDerWaalsContact O-N 3.11Å; V156-D160 VanDerWaalsContact CG1-OD2 3.3Å; V156-D160 WeakPolarHBondContact CG1-OD2 3.23Å; V156-D160 PolarHBondContact O-N 3.02Å
157	S	83.5	Confident	81.7	Confident	60 Å²	60	48.6 Å²	48.6	42%	0.42	27%	0.269	S	S	.	.	H	α-helix	trans	-55.6	-44.2	178.7	179.6	0	0	0	0	113.1	E153 Q154 T161	E153-S157 PolarHBondContact O-N 3.23Å; Q154-S157 PolarHBondContact O-N 3.41Å; S157-T161 WeakPolarHBondContact O-CB 3.34Å; S157-T161 PolarHBondContact O-N 2.99Å; S157-T161 PolarHBondContact O-OG1 3.31Å
158	F	85	Confident	81.7	Confident	1 Å²	1	49 Å²	49	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-51.9	173.7	171.3	-110.2	0	0	0	111.9	A141 L144 A145 L150 Q154 V156 D160 T161 V162 L395 A398 C399	A141-F158 HydrophobicContact CB-CE1 4.22Å; L144-F158 HydrophobicContact CD2-CZ 4.07Å; A145-F158 HydrophobicContact CB-CD1 4.06Å; A145-F158 HydrophobicContact CB-CE1 4.3Å; L150-F158 HydrophobicContact CD1-CB 3.9Å; L150-F158 HydrophobicContact CD1-CD1 4.2Å; L150-F158 HydrophobicContact CD1-CG 4.09Å; Q154-F158 WeakPolarHBondContact O-CB 3.37Å; Q154-F158 PolarHBondContact O-N 3.11Å; V156-F158 VanDerWaalsContact C-N 3.33Å; V156-F158 PolarHBondContact O-N 3.01Å; F158-D160 PolarHBondContact O-N 3.49Å; F158-T161 PolarHBondContact O-N 3.05Å; F158-V162 HydrophobicContact CD2-CG2 4.26Å; F158-V162 HydrophobicContact CE1-CG2 4.11Å; F158-V162 HydrophobicContact CE2-CG2 3.72Å; F158-V162 HydrophobicContact CZ-CG2 3.64Å; F158-V162 WeakPolarHBondContact O-CG2 3.34Å; F158-V162 PolarHBondContact O-N 3.46Å; F158-L395 HydrophobicContact CZ-CD2 4.09Å; F158-A398 HydrophobicContact CD2-CB 4.14Å; F158-A398 HydrophobicContact CE2-CB 3.71Å; F158-C399 HydrophobicContact CE2-CB 4.48Å; F158-C399 WeakPolarHBondContact CE2-SG 3.42Å
159	C	85.9	Confident	82	Confident	13 Å²	13	48.9 Å²	48.9	9%	0.088	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-43.2	-179.1	-73.4	0	0	0	0	112.1	K155 V156 T161 V162 W163	K155-C159 VanDerWaalsContact O-CB 3.29Å; K155-C159 WeakPolarHBondContact O-CB 3.37Å; K155-C159 PolarHBondContact O-N 2.91Å; K155-C159 PolarHBondContact O-SG 3.44Å; V156-C159 PolarHBondContact O-N 3.22Å; V156-C159 VanDerWaalsContact O-N 3.11Å; C159-T161 VanDerWaalsContact C-N 3.28Å; C159-T161 PolarHBondContact O-N 3.08Å; C159-V162 WeakPolarHBondContact O-CB 3.42Å; C159-V162 PolarHBondContact O-N 2.98Å; C159-W163 VanDerWaalsContact O-CG 3.29Å; C159-W163 PolarHBondContact O-N 2.95Å; C159-W163 PolarHBondContact O-NE1 2.95Å
160	D	84.6	Confident	82	Confident	65 Å²	65	44.4 Å²	44.4	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-70.7	-25.5	-179.6	-66.4	-30.9	0	0	0	112	R45 V156 F158 W163 S164	R45-D160 IonicContact CZ-OD1 2.76Å; R45-D160 IonicContact NH2-OD1 3.86Å; R45-D160 PolarHBondContact NH2-OD1 2.85Å; R45-D160 IonicContact NH2-OD2 2.77Å; V156-D160 VanDerWaalsContact CG1-OD2 3.3Å; V156-D160 WeakPolarHBondContact CG1-OD2 3.23Å; V156-D160 PolarHBondContact O-N 3.02Å; F158-D160 PolarHBondContact O-N 3.49Å; D160-W163 PolarHBondContact O-N 3.46Å; D160-S164 WeakPolarHBondContact O-CB 3.42Å; D160-S164 PolarHBondContact O-N 3.37Å
161	T	85.1	Confident	81.8	Confident	39 Å²	39	44.2 Å²	44.2	24%	0.239	25%	0.246	C	C	.	.	H	α-helix	trans	-76.5	-38.6	170	-54.7	0	0	0	0	112.5	S157 F158 C159 W163 S164 I165 T401 T402	S157-T161 WeakPolarHBondContact O-CB 3.34Å; S157-T161 PolarHBondContact O-N 2.99Å; S157-T161 PolarHBondContact O-OG1 3.31Å; F158-T161 PolarHBondContact O-N 3.05Å; C159-T161 VanDerWaalsContact C-N 3.28Å; C159-T161 PolarHBondContact O-N 3.08Å; T161-W163 PolarHBondContact O-N 3.28Å; T161-S164 PolarHBondContact O-N 3.5Å; T161-I165 HydrophobicContact CG2-CD1 4.06Å; T161-I165 WeakPolarHBondContact O-CG1 3.29Å; T161-I165 PolarHBondContact O-N 3.05Å; T161-T401 WeakPolarHBondContact CG2-OG1 3.33Å; T161-T402 HydrophobicContact CG2-CG2 3.63Å; T161-T402 WeakPolarHBondContact OG1-CG2 3.33Å
162	V	86	Confident	81.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55	-43.7	166	171.4	0	0	0	0	110	M137 A141 F158 C159 W166 I394 L395 A398	M137-V162 HydrophobicContact CG-CG1 3.94Å; M137-V162 HydrophobicContact SD-CG1 3.79Å; A141-V162 HydrophobicContact CB-CG1 4.31Å; A141-V162 HydrophobicContact CB-CG2 4.49Å; F158-V162 HydrophobicContact CD2-CG2 4.26Å; F158-V162 HydrophobicContact CE1-CG2 4.11Å; F158-V162 HydrophobicContact CE2-CG2 3.72Å; F158-V162 HydrophobicContact CZ-CG2 3.64Å; F158-V162 WeakPolarHBondContact O-CG2 3.34Å; F158-V162 PolarHBondContact O-N 3.46Å; C159-V162 WeakPolarHBondContact O-CB 3.42Å; C159-V162 PolarHBondContact O-N 2.98Å; V162-W166 VanDerWaalsContact O-CB 3.3Å; V162-W166 WeakPolarHBondContact O-CB 3.38Å; V162-W166 PolarHBondContact O-N 3.1Å; V162-I394 HydrophobicContact CG1-CG2 4.32Å; V162-L395 HydrophobicContact CG1-CD2 4.24Å; V162-L395 HydrophobicContact CG2-CD2 3.97Å; V162-A398 HydrophobicContact CB-CB 4.32Å; V162-A398 HydrophobicContact CG2-CB 3.35Å
163	W	86.4	Confident	80.6	Confident	21 Å²	21	37.6 Å²	37.6	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-38.3	177.8	-64.2	128.9	0	0	0	113.5	T134 M137 R138 C159 D160 T161 W166 L167	T134-W163 HydrophobicContact CG2-CZ3 4.26Å; M137-W163 HydrophobicContact CB-CH2 4.45Å; M137-W163 HydrophobicContact CG-CH2 4.37Å; M137-W163 HydrophobicContact CG-CZ3 4.35Å; M137-W163 HydrophobicContact SD-CZ3 4.25Å; R138-W163 HydrophobicContact CB-CH2 3.62Å; R138-W163 HydrophobicContact CB-CZ2 3.79Å; R138-W163 HydrophobicContact CG-CH2 4.22Å; R138-W163 HydrophobicContact CG-CZ2 3.87Å; C159-W163 VanDerWaalsContact O-CG 3.29Å; C159-W163 PolarHBondContact O-N 2.95Å; C159-W163 PolarHBondContact O-NE1 2.95Å; D160-W163 PolarHBondContact O-N 3.46Å; T161-W163 PolarHBondContact O-N 3.28Å; W163-W166 HydrophobicContact CE3-CB 4.26Å; W163-W166 AromaticContact CE3-CD1 3.85Å; W163-W166 HydrophobicContact CE3-CG 4.39Å; W163-W166 AromaticContact CZ3-CD1 3.7Å; W163-W166 HydrophobicContact CZ3-CG 4.34Å; W163-W166 PolarHBondContact O-N 2.63Å; W163-L167 VanDerWaalsContact O-CB 3.25Å; W163-L167 WeakPolarHBondContact O-CB 3.25Å; W163-L167 WeakPolarHBondContact O-CG 3.39Å; W163-L167 PolarHBondContact O-N 2.87Å
164	S	83.4	Confident	79.6	Confident	78 Å²	78	30.7 Å²	30.7	55%	0.545	18%	0.175	S	C	.	.	H	α-helix	trans	-59.5	-49.4	173.3	-174.7	0	0	0	0	111.3	D160 T161 W166 L167 H168	D160-S164 WeakPolarHBondContact O-CB 3.42Å; D160-S164 PolarHBondContact O-N 3.37Å; T161-S164 PolarHBondContact O-N 3.5Å; S164-W166 PolarHBondContact O-N 3.31Å; S164-L167 PolarHBondContact O-N 3.06Å; S164-H168 WeakPolarHBondContact O-CB 3.29Å; S164-H168 PolarHBondContact O-N 3.04Å
165	I	84.1	Confident	78.8	Confident	11 Å²	11	28.3 Å²	28.3	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-42.1	177.9	-65.5	161.7	0	0	0	111.3	T161 H168 Y169 I394 I397 A398 I494	T161-I165 HydrophobicContact CG2-CD1 4.06Å; T161-I165 WeakPolarHBondContact O-CG1 3.29Å; T161-I165 PolarHBondContact O-N 3.05Å; I165-H168 PolarHBondContact O-N 3.29Å; I165-Y169 PolarHBondContact O-N 3.49Å; I165-I394 HydrophobicContact CB-CG2 4.22Å; I165-I394 HydrophobicContact CG2-CB 4.36Å; I165-I394 HydrophobicContact CG2-CG1 4.03Å; I165-I394 HydrophobicContact CG2-CG2 3.78Å; I165-I397 HydrophobicContact CD1-CB 4.45Å; I165-I397 HydrophobicContact CD1-CG2 3.84Å; I165-A398 HydrophobicContact CD1-CB 3.99Å; I165-I494 HydrophobicContact CG2-CD1 3.55Å; I165-I494 HydrophobicContact CG2-CG1 4.34Å
166	W	85.4	Confident	77.9	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-47	177.9	-175.4	-125.3	0	0	0	112.2	F133 T134 M137 V162 W163 S164 H168 Y169 L170 I394	F133-W166 HydrophobicContact CB-CH2 3.94Å; F133-W166 HydrophobicContact CB-CZ2 4.07Å; T134-W166 WeakPolarHBondContact OG1-CZ2 3.48Å; T134-W166 PolarHBondContact OG1-NE1 3.34Å; M137-W166 HydrophobicContact CE-CD2 3.57Å; M137-W166 HydrophobicContact CE-CE3 3.29Å; M137-W166 HydrophobicContact CE-CG 4.16Å; M137-W166 HydrophobicContact CE-CH2 4.15Å; M137-W166 HydrophobicContact CE-CZ2 4.41Å; M137-W166 HydrophobicContact CE-CZ3 3.59Å; M137-W166 HydrophobicContact SD-CB 3.7Å; M137-W166 HydrophobicContact SD-CD2 3.68Å; M137-W166 HydrophobicContact SD-CE3 4Å; M137-W166 HydrophobicContact SD-CG 3.6Å; V162-W166 VanDerWaalsContact O-CB 3.3Å; V162-W166 WeakPolarHBondContact O-CB 3.38Å; V162-W166 PolarHBondContact O-N 3.1Å; W163-W166 HydrophobicContact CE3-CB 4.26Å; W163-W166 AromaticContact CE3-CD1 3.85Å; W163-W166 HydrophobicContact CE3-CG 4.39Å; W163-W166 AromaticContact CZ3-CD1 3.7Å; W163-W166 HydrophobicContact CZ3-CG 4.34Å; W163-W166 PolarHBondContact O-N 2.63Å; S164-W166 PolarHBondContact O-N 3.31Å; W166-H168 VanDerWaalsContact C-N 3.27Å; W166-H168 PolarHBondContact O-N 2.81Å; W166-Y169 HydrophobicContact CD2-CD1 4.47Å; W166-Y169 AromaticContact CE3-CD1 3.52Å; W166-Y169 HydrophobicContact CE3-CD1 3.52Å; W166-Y169 HydrophobicContact CE3-CE1 4.21Å; W166-Y169 HydrophobicContact CE3-CG 4.2Å; W166-Y169 HydrophobicContact CH2-CD1 4.1Å; W166-Y169 AromaticContact CH2-CE1 3.98Å; W166-Y169 HydrophobicContact CH2-CE1 3.98Å; W166-Y169 AromaticContact CZ3-CD1 3.31Å; W166-Y169 HydrophobicContact CZ3-CD1 3.31Å; W166-Y169 AromaticContact CZ3-CE1 3.51Å; W166-Y169 HydrophobicContact CZ3-CE1 3.51Å; W166-Y169 HydrophobicContact CZ3-CG 4.24Å; W166-Y169 WeakPolarHBondContact O-CB 3.21Å; W166-Y169 PolarHBondContact O-N 2.88Å; W166-L170 HydrophobicContact CD2-CD1 4.31Å; W166-L170 HydrophobicContact CD2-CD2 4.27Å; W166-L170 HydrophobicContact CD2-CG 4.09Å; W166-L170 HydrophobicContact CE3-CD2 4.39Å; W166-L170 HydrophobicContact CG-CD1 4.39Å; W166-L170 HydrophobicContact CG-CG 4.41Å; W166-L170 HydrophobicContact CH2-CD2 4.01Å; W166-L170 HydrophobicContact CZ2-CD1 4.36Å; W166-L170 HydrophobicContact CZ2-CD2 3.8Å; W166-L170 HydrophobicContact CZ2-CG 4.36Å; W166-L170 HydrophobicContact CZ3-CD2 4.29Å; W166-L170 WeakPolarHBondContact O-CB 3.09Å; W166-L170 VanDerWaalsContact O-CG 3.29Å; W166-L170 WeakPolarHBondContact O-CG 3.44Å; W166-L170 PolarHBondContact O-N 3.49Å; W166-I394 HydrophobicContact CE3-CD1 3.72Å; W166-I394 HydrophobicContact CZ3-CD1 4.06Å
167	L	80.7	Confident	76.6	Confident	58 Å²	58	23.9 Å²	23.9	30%	0.304	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-33	176.9	-70	169.8	0	0	0	111.7	W163 S164 S171 L176	W163-L167 VanDerWaalsContact O-CB 3.25Å; W163-L167 WeakPolarHBondContact O-CB 3.25Å; W163-L167 WeakPolarHBondContact O-CG 3.39Å; W163-L167 PolarHBondContact O-N 2.87Å; S164-L167 PolarHBondContact O-N 3.06Å; L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 3.17Å; L167-S171 PolarHBondContact O-OG 2.82Å; L167-L176 HydrophobicContact CD2-CD1 4.07Å
168	H	77.7	Confident	75.3	Confident	35 Å²	35	24.8 Å²	24.8	16%	0.162	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-45	171.8	-165.2	87.1	0	0	0	111.8	S164 I165 W166 L170 S171 I172	S164-H168 WeakPolarHBondContact O-CB 3.29Å; S164-H168 PolarHBondContact O-N 3.04Å; I165-H168 PolarHBondContact O-N 3.29Å; W166-H168 VanDerWaalsContact C-N 3.27Å; W166-H168 PolarHBondContact O-N 2.81Å; H168-L170 PolarHBondContact O-N 3.02Å; H168-S171 WeakPolarHBondContact O-CB 3.06Å; H168-S171 PolarHBondContact O-N 3.28Å; H168-S171 VanDerWaalsContact O-N 3.12Å; H168-I172 VanDerWaalsContact CD2-CD1 3.48Å; H168-I172 WeakPolarHBondContact CD2-CD1 3.37Å; H168-I172 WeakPolarHBondContact O-CG1 3.45Å; H168-I172 PolarHBondContact O-N 3.08Å
169	Y	78.9	Confident	74.1	Confident	5 Å²	5	29.7 Å²	29.7	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-55.2	-51.6	171.4	169	-98	0	0	0	111.9	I165 W166 S171 I172 T173 F241 W246 M490 F493	I165-Y169 PolarHBondContact O-N 3.49Å; W166-Y169 HydrophobicContact CD2-CD1 4.47Å; W166-Y169 AromaticContact CE3-CD1 3.52Å; W166-Y169 HydrophobicContact CE3-CD1 3.52Å; W166-Y169 HydrophobicContact CE3-CE1 4.21Å; W166-Y169 HydrophobicContact CE3-CG 4.2Å; W166-Y169 HydrophobicContact CH2-CD1 4.1Å; W166-Y169 AromaticContact CH2-CE1 3.98Å; W166-Y169 HydrophobicContact CH2-CE1 3.98Å; W166-Y169 AromaticContact CZ3-CD1 3.31Å; W166-Y169 HydrophobicContact CZ3-CD1 3.31Å; W166-Y169 AromaticContact CZ3-CE1 3.51Å; W166-Y169 HydrophobicContact CZ3-CE1 3.51Å; W166-Y169 HydrophobicContact CZ3-CG 4.24Å; W166-Y169 WeakPolarHBondContact O-CB 3.21Å; W166-Y169 PolarHBondContact O-N 2.88Å; Y169-S171 PolarHBondContact O-N 2.92Å; Y169-I172 PolarHBondContact O-N 2.69Å; Y169-I172 VanDerWaalsContact O-N 3.08Å; Y169-T173 HydrophobicContact CD1-CG2 4.49Å; Y169-T173 HydrophobicContact CD2-CG2 4.45Å; Y169-T173 HydrophobicContact CE1-CG2 4Å; Y169-T173 HydrophobicContact CE2-CG2 3.97Å; Y169-T173 PolarHBondContact O-N 3.48Å; Y169-F241 AromaticContact CE2-CE1 3.84Å; Y169-F241 HydrophobicContact CE2-CE1 3.84Å; Y169-F241 HydrophobicContact CE2-CZ 4.07Å; Y169-W246 HydrophobicContact CE1-CZ2 4.31Å; Y169-W246 AromaticContact CE1-NE1 3.99Å; Y169-W246 WeakPolarHBondContact OH-CZ2 3.4Å; Y169-W246 PolarHBondContact OH-NE1 3.24Å; Y169-M490 HydrophobicContact CD2-CE 3.36Å; Y169-M490 HydrophobicContact CD2-SD 4.16Å; Y169-M490 HydrophobicContact CE2-CE 4.24Å; Y169-M490 HydrophobicContact CG-CE 3.74Å; Y169-F493 AromaticContact CD2-CD1 3.89Å; Y169-F493 HydrophobicContact CD2-CD1 3.89Å; Y169-F493 AromaticContact CD2-CE1 3.47Å; Y169-F493 HydrophobicContact CD2-CE1 3.47Å; Y169-F493 VanDerWaalsContact CD2-CE1 3.47Å; Y169-F493 HydrophobicContact CD2-CZ 4.48Å; Y169-F493 HydrophobicContact CE2-CD1 4.36Å; Y169-F493 AromaticContact CE2-CE1 3.81Å; Y169-F493 HydrophobicContact CE2-CE1 3.81Å; Y169-F493 HydrophobicContact CE2-CZ 4.47Å; Y169-F493 HydrophobicContact CG-CE1 4.48Å
170	L	74.6	Confident	73	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-22.9	178	-66.1	-170	0	0	0	112.9	W166 H168 T173 G174 E175 L176	W166-L170 HydrophobicContact CD2-CD1 4.31Å; W166-L170 HydrophobicContact CD2-CD2 4.27Å; W166-L170 HydrophobicContact CD2-CG 4.09Å; W166-L170 HydrophobicContact CE3-CD2 4.39Å; W166-L170 HydrophobicContact CG-CD1 4.39Å; W166-L170 HydrophobicContact CG-CG 4.41Å; W166-L170 HydrophobicContact CH2-CD2 4.01Å; W166-L170 HydrophobicContact CZ2-CD1 4.36Å; W166-L170 HydrophobicContact CZ2-CD2 3.8Å; W166-L170 HydrophobicContact CZ2-CG 4.36Å; W166-L170 HydrophobicContact CZ3-CD2 4.29Å; W166-L170 WeakPolarHBondContact O-CB 3.09Å; W166-L170 VanDerWaalsContact O-CG 3.29Å; W166-L170 WeakPolarHBondContact O-CG 3.44Å; W166-L170 PolarHBondContact O-N 3.49Å; H168-L170 PolarHBondContact O-N 3.02Å; L170-T173 WeakPolarHBondContact CA-OG1 3.35Å; L170-T173 PolarHBondContact O-OG1 3.36Å; L170-G174 PolarHBondContact O-N 2.92Å; L170-E175 HydrophobicContact CB-CB 3.9Å; L170-E175 HydrophobicContact CB-CG 3.47Å; L170-E175 VanDerWaalsContact CB-CG 3.47Å; L170-E175 HydrophobicContact CD1-CG 4.04Å; L170-E175 HydrophobicContact CD2-CG 3.44Å; L170-E175 VanDerWaalsContact CD2-CG 3.44Å; L170-E175 HydrophobicContact CG-CG 3.77Å; L170-E175 WeakPolarHBondContact O-CB 3.43Å; L170-E175 PolarHBondContact O-N 2.88Å; L170-L176 HydrophobicContact CB-CG 4.34Å
171	S	70.1	Confident	71.9	Confident	16 Å²	16	28.2 Å²	28.2	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-73.1	-48.4	170	-59.2	0	0	0	0	111	L167 H168 Y169 T173 G174 W181 A184	L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 3.17Å; L167-S171 PolarHBondContact O-OG 2.82Å; H168-S171 WeakPolarHBondContact O-CB 3.06Å; H168-S171 PolarHBondContact O-N 3.28Å; H168-S171 VanDerWaalsContact O-N 3.12Å; Y169-S171 PolarHBondContact O-N 2.92Å; S171-T173 VanDerWaalsContact C-N 3.28Å; S171-T173 PolarHBondContact O-N 3.37Å; S171-G174 PolarHBondContact O-N 3.36Å; S171-G174 VanDerWaalsContact O-N 3.08Å; S171-W181 WeakPolarHBondContact O-CA 3.3Å; S171-W181 VanDerWaalsContact O-CB 3.29Å; S171-W181 WeakPolarHBondContact O-CB 3.21Å; S171-A184 VanDerWaalsContact CB-CB 3.49Å
172	I	68	Low	70.7	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-30.3	179.4	-53.9	161	0	0	0	112	H168 Y169 W181 A184 L238 F493	H168-I172 VanDerWaalsContact CD2-CD1 3.48Å; H168-I172 WeakPolarHBondContact CD2-CD1 3.37Å; H168-I172 WeakPolarHBondContact O-CG1 3.45Å; H168-I172 PolarHBondContact O-N 3.08Å; Y169-I172 PolarHBondContact O-N 2.69Å; Y169-I172 VanDerWaalsContact O-N 3.08Å; I172-W181 PolarHBondContact O-NE1 3.37Å; I172-A184 HydrophobicContact CG1-CB 3.72Å; I172-L238 HydrophobicContact CG2-CD2 4.29Å; I172-F493 HydrophobicContact CB-CE1 3.7Å; I172-F493 HydrophobicContact CB-CZ 3.7Å; I172-F493 HydrophobicContact CD1-CD1 3.89Å; I172-F493 HydrophobicContact CD1-CE1 3.81Å; I172-F493 HydrophobicContact CD1-CZ 4.45Å; I172-F493 VanDerWaalsContact CD1-O 3.26Å; I172-F493 WeakPolarHBondContact CD1-O 3.4Å; I172-F493 HydrophobicContact CG1-CE1 4.38Å; I172-F493 HydrophobicContact CG2-CE1 3.77Å; I172-F493 HydrophobicContact CG2-CE2 3.73Å; I172-F493 HydrophobicContact CG2-CZ 3.31Å
173	T	66.1	Low	69.7	Low	5 Å²	5	32 Å²	32	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-75.8	-26.3	172.8	63.3	0	0	0	0	113.5	Y169 L170 S171 E175 W243 F493	Y169-T173 HydrophobicContact CD1-CG2 4.49Å; Y169-T173 HydrophobicContact CD2-CG2 4.45Å; Y169-T173 HydrophobicContact CE1-CG2 4Å; Y169-T173 HydrophobicContact CE2-CG2 3.97Å; Y169-T173 PolarHBondContact O-N 3.48Å; L170-T173 WeakPolarHBondContact CA-OG1 3.35Å; L170-T173 PolarHBondContact O-OG1 3.36Å; S171-T173 VanDerWaalsContact C-N 3.28Å; S171-T173 PolarHBondContact O-N 3.37Å; T173-E175 PolarHBondContact OG1-OE1 3Å; T173-W243 HydrophobicContact CG2-CD2 4.19Å; T173-W243 HydrophobicContact CG2-CE3 3.52Å; T173-W243 HydrophobicContact CG2-CZ3 4.02Å; T173-W243 WeakPolarHBondContact O-CH2 3.32Å; T173-W243 WeakPolarHBondContact O-CZ3 3.46Å; T173-F493 HydrophobicContact CG2-CZ 4.4Å
174	G	60.1	Low	68.8	Low	12 Å²	12	31.1 Å²	31.1	12%	0.124	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	16.7	-178.2	0	0	0	0	0	115.6	L170 S171 L176 G177 L248	L170-G174 PolarHBondContact O-N 2.92Å; S171-G174 PolarHBondContact O-N 3.36Å; S171-G174 VanDerWaalsContact O-N 3.08Å; G174-L176 PolarHBondContact O-N 3.35Å; G174-G177 PolarHBondContact O-N 3.08Å; G174-L248 PolarHBondContact O-N 3.33Å
175	E	63.7	Low	67.9	Low	6 Å²	6	28.4 Å²	28.4	3%	0.028	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-48	173.1	-64.7	-35.9	112.2	0	0	112	R128 S130 L170 T173 G177 W246 G247	R128-E175 PolarHBondContact NH1-O 3.12Å; S130-E175 VanDerWaalsContact CB-OE2 3.27Å; S130-E175 WeakPolarHBondContact CB-OE2 3.48Å; S130-E175 PolarHBondContact OG-OE2 3.08Å; L170-E175 HydrophobicContact CB-CB 3.9Å; L170-E175 HydrophobicContact CB-CG 3.47Å; L170-E175 VanDerWaalsContact CB-CG 3.47Å; L170-E175 HydrophobicContact CD1-CG 4.04Å; L170-E175 HydrophobicContact CD2-CG 3.44Å; L170-E175 VanDerWaalsContact CD2-CG 3.44Å; L170-E175 HydrophobicContact CG-CG 3.77Å; L170-E175 WeakPolarHBondContact O-CB 3.43Å; L170-E175 PolarHBondContact O-N 2.88Å; T173-E175 PolarHBondContact OG1-OE1 3Å; E175-G177 PolarHBondContact O-N 3.34Å; E175-W246 VanDerWaalsContact CD-C 3.45Å; E175-W246 WeakPolarHBondContact OE1-CA 3.41Å; E175-W246 WeakPolarHBondContact OE1-CB 3.3Å; E175-W246 WeakPolarHBondContact OE2-CB 3.27Å; E175-G247 PolarHBondContact OE2-N 2.93Å
176	L	62.8	Low	66.9	Low	48 Å²	48	30 Å²	30	25%	0.251	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	14.6	-164.2	-49.9	-173.9	0	0	0	111.8	L167 L170 G174 A180	L167-L176 HydrophobicContact CD2-CD1 4.07Å; L170-L176 HydrophobicContact CB-CG 4.34Å; G174-L176 PolarHBondContact O-N 3.35Å; L176-A180 HydrophobicContact CB-CB 3.65Å
177	G	57.4	Low	66.1	Low	15 Å²	15	34.5 Å²	34.5	16%	0.155	20%	0.198	C	C	.	.			trans	88.6	177.9	179.9	0	0	0	0	0	114.3	G174 E175 D179 W181	G174-G177 PolarHBondContact O-N 3.08Å; E175-G177 PolarHBondContact O-N 3.34Å; G177-D179 VanDerWaalsContact C-N 3.28Å; G177-D179 PolarHBondContact O-N 3.46Å; G177-W181 WeakPolarHBondContact O-CB 3.4Å; G177-W181 PolarHBondContact O-N 2.84Å
178	S	55.4	Low	65.4	Low	79 Å²	79	31.9 Å²	31.9	55%	0.552	18%	0.184	S	C	*	.	H	α-helix	trans	-57.8	-37.6	-175.8	45.2	0	0	0	0	113.5	W181 V182	S178-W181 PolarHBondContact O-N 2.84Å; S178-V182 WeakPolarHBondContact O-CB 3.29Å; S178-V182 WeakPolarHBondContact O-CG2 3.49Å; S178-V182 PolarHBondContact O-N 2.96Å
179	D	59.3	Low	64.6	Low	105 Å²	105	30.7 Å²	30.7	56%	0.561	18%	0.18	S	C	*	.	H	α-helix	trans	-84.1	-40.2	-162.6	-55.9	-1.6	0	0	0	110.4	G177 W181 V182 N183	G177-D179 VanDerWaalsContact C-N 3.28Å; G177-D179 PolarHBondContact O-N 3.46Å; D179-W181 VanDerWaalsContact C-N 3.32Å; D179-W181 PolarHBondContact O-N 2.91Å; D179-V182 PolarHBondContact O-N 3.46Å; D179-N183 VanDerWaalsContact O-CG 3.27Å; D179-N183 PolarHBondContact O-N 3.46Å; D179-N183 PolarHBondContact O-ND2 3.18Å
180	A	62.9	Low	63.9	Low	9 Å²	9	36.5 Å²	36.5	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-41.9	167.2	0	0	0	0	0	111.5	L176 N183 A184	L176-A180 HydrophobicContact CB-CB 3.65Å; A180-N183 PolarHBondContact O-N 2.88Å; A180-A184 WeakPolarHBondContact O-CB 3.24Å; A180-A184 PolarHBondContact O-N 3.24Å
181	W	62.6	Low	63.4	Low	38 Å²	38	36.7 Å²	36.7	14%	0.144	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-43.3	175.9	174.1	86.9	0	0	0	113.1	S171 I172 G177 S178 D179 N183 A184 A185 L363 F373	S171-W181 WeakPolarHBondContact O-CA 3.3Å; S171-W181 VanDerWaalsContact O-CB 3.29Å; S171-W181 WeakPolarHBondContact O-CB 3.21Å; I172-W181 PolarHBondContact O-NE1 3.37Å; G177-W181 WeakPolarHBondContact O-CB 3.4Å; G177-W181 PolarHBondContact O-N 2.84Å; S178-W181 PolarHBondContact O-N 2.84Å; D179-W181 VanDerWaalsContact C-N 3.32Å; D179-W181 PolarHBondContact O-N 2.91Å; W181-N183 VanDerWaalsContact C-N 3.34Å; W181-N183 PolarHBondContact O-N 2.8Å; W181-A184 PolarHBondContact O-N 3.22Å; W181-A185 VanDerWaalsContact O-CB 3.23Å; W181-A185 WeakPolarHBondContact O-CB 3.36Å; W181-A185 PolarHBondContact O-N 3.26Å; W181-L363 HydrophobicContact CH2-CB 4.15Å; W181-L363 HydrophobicContact CH2-CD1 3.46Å; W181-L363 VanDerWaalsContact CH2-CD1 3.46Å; W181-L363 HydrophobicContact CH2-CD2 3.74Å; W181-L363 HydrophobicContact CH2-CG 3.94Å; W181-L363 HydrophobicContact CZ2-CD1 4.08Å; W181-L363 HydrophobicContact CZ2-CD2 3.86Å; W181-L363 HydrophobicContact CZ2-CG 4.49Å; W181-L363 HydrophobicContact CZ3-CD1 4.3Å; W181-F373 AromaticContact CE2-CE1 3.91Å; W181-F373 AromaticContact CE2-CZ 3.97Å; W181-F373 HydrophobicContact CZ2-CD2 4.32Å; W181-F373 HydrophobicContact CZ2-CE1 4.03Å; W181-F373 AromaticContact CZ2-CE2 3.8Å; W181-F373 HydrophobicContact CZ2-CE2 3.8Å; W181-F373 AromaticContact CZ2-CZ 3.65Å; W181-F373 HydrophobicContact CZ2-CZ 3.65Å; W181-F373 AromaticContact NE1-CD1 3.78Å; W181-F373 AromaticContact NE1-CE1 3.21Å; W181-F373 AromaticContact NE1-CZ 3.66Å
182	V	58.9	Low	62.9	Low	27 Å²	27	36 Å²	36	16%	0.164	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-44.6	173.8	164.5	0	0	0	0	110.7	S178 D179 A185 L186 L356	S178-V182 WeakPolarHBondContact O-CB 3.29Å; S178-V182 WeakPolarHBondContact O-CG2 3.49Å; S178-V182 PolarHBondContact O-N 2.96Å; D179-V182 PolarHBondContact O-N 3.46Å; V182-A185 PolarHBondContact O-N 3.25Å; V182-L186 HydrophobicContact CG1-CD1 4.43Å; V182-L186 WeakPolarHBondContact O-CG 3.25Å; V182-L186 PolarHBondContact O-N 2.91Å; V182-L356 HydrophobicContact CG1-CD1 3.33Å
183	N	66.2	Low	62.5	Low	91 Å²	91	36.7 Å²	36.7	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-63.9	-42.9	178.5	-70.5	-21.7	0	0	0	112.4	D179 A180 W181 L186 L187	D179-N183 VanDerWaalsContact O-CG 3.27Å; D179-N183 PolarHBondContact O-N 3.46Å; D179-N183 PolarHBondContact O-ND2 3.18Å; A180-N183 PolarHBondContact O-N 2.88Å; W181-N183 VanDerWaalsContact C-N 3.34Å; W181-N183 PolarHBondContact O-N 2.8Å; N183-L186 PolarHBondContact O-N 3.33Å; N183-L187 WeakPolarHBondContact O-CG 3.29Å; N183-L187 PolarHBondContact O-N 3.03Å; N183-L187 VanDerWaalsContact O-N 3.08Å
184	A	66.4	Low	62.3	Low	3 Å²	3	39.8 Å²	39.8	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-36.2	176.4	0	0	0	0	0	112.6	S171 I172 A180 W181 L186 L187 L188	S171-A184 VanDerWaalsContact CB-CB 3.49Å; I172-A184 HydrophobicContact CG1-CB 3.72Å; A180-A184 WeakPolarHBondContact O-CB 3.24Å; A180-A184 PolarHBondContact O-N 3.24Å; W181-A184 PolarHBondContact O-N 3.22Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.04Å; A184-L187 PolarHBondContact O-N 3.28Å; A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 PolarHBondContact O-N 2.89Å
185	A	64.1	Low	62	Low	20 Å²	20	39.9 Å²	39.9	17%	0.165	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-35.8	172.7	0	0	0	0	0	112.3	W181 V182 A189 M234	W181-A185 VanDerWaalsContact O-CB 3.23Å; W181-A185 WeakPolarHBondContact O-CB 3.36Å; W181-A185 PolarHBondContact O-N 3.26Å; V182-A185 PolarHBondContact O-N 3.25Å; A185-A189 VanDerWaalsContact O-CB 3.26Å; A185-A189 WeakPolarHBondContact O-CB 3.23Å; A185-A189 PolarHBondContact O-N 3.38Å; A185-M234 HydrophobicContact CB-CE 4.48Å; A185-M234 VanDerWaalsContact O-CE 3.25Å; A185-M234 WeakPolarHBondContact O-CE 3.43Å
186	L	63.9	Low	61.5	Low	44 Å²	44	40.5 Å²	40.5	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-42.5	171.6	-75	174.2	0	0	0	112.4	V182 N183 A184 A189 K190 L356	V182-L186 HydrophobicContact CG1-CD1 4.43Å; V182-L186 WeakPolarHBondContact O-CG 3.25Å; V182-L186 PolarHBondContact O-N 2.91Å; N183-L186 PolarHBondContact O-N 3.33Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.04Å; L186-A189 PolarHBondContact O-N 2.85Å; L186-K190 WeakPolarHBondContact O-CB 3.24Å; L186-K190 PolarHBondContact O-N 3.31Å; L186-L356 HydrophobicContact CD1-CD1 3.84Å; L186-L356 HydrophobicContact CD2-CB 4.47Å; L186-L356 HydrophobicContact CG-CD1 4.46Å
187	L	68	Low	61	Low	100 Å²	100	43.8 Å²	43.8	52%	0.524	24%	0.237	S	C	.	.	H	α-helix	trans	-64.2	-44.1	176.5	-71.5	167.7	0	0	0	111.2	N183 A184 K190 S191	N183-L187 WeakPolarHBondContact O-CG 3.29Å; N183-L187 PolarHBondContact O-N 3.03Å; N183-L187 VanDerWaalsContact O-N 3.08Å; A184-L187 PolarHBondContact O-N 3.28Å; L187-K190 PolarHBondContact O-N 3.28Å; L187-S191 PolarHBondContact O-N 3.48Å
188	L	65.7	Low	60.6	Low	3 Å²	3	44.3 Å²	44.3	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-42.4	173.4	-179.2	58.6	0	0	0	111.6	A184 S191 I192 M234 F493	A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 PolarHBondContact O-N 2.89Å; L188-S191 PolarHBondContact O-N 2.84Å; L188-S191 PolarHBondContact O-OG 2.91Å; L188-I192 HydrophobicContact CD1-CD1 4.08Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CD1 3.21Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.39Å; L188-I192 PolarHBondContact O-N 3.27Å; L188-M234 HydrophobicContact CB-CE 4.5Å; L188-M234 HydrophobicContact CG-CE 4.42Å; L188-F493 WeakPolarHBondContact CD1-O 3.42Å
189	A	62	Low	60	Low	9 Å²	9	45.2 Å²	45.2	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-48.2	174.6	0	0	0	0	0	111.4	A185 L186 S191 I192 S193 M234 F359	A185-A189 VanDerWaalsContact O-CB 3.26Å; A185-A189 WeakPolarHBondContact O-CB 3.23Å; A185-A189 PolarHBondContact O-N 3.38Å; L186-A189 PolarHBondContact O-N 2.85Å; A189-S191 PolarHBondContact O-N 3.49Å; A189-I192 CarbonylContact O-C 3.57Å; A189-I192 WeakPolarHBondContact O-CA 3.49Å; A189-I192 WeakPolarHBondContact O-CB 3.18Å; A189-I192 PolarHBondContact O-N 3.42Å; A189-S193 PolarHBondContact O-N 2.86Å; A189-S193 PolarHBondContact O-OG 2.87Å; A189-M234 HydrophobicContact CB-CE 3.81Å; A189-M234 HydrophobicContact CB-SD 3.71Å; A189-F359 HydrophobicContact CB-CE2 4.07Å
190	K	64.5	Low	58.9	Low	128 Å²	128	45.8 Å²	45.8	56%	0.557	23%	0.234	S	C	*	.	H	α-helix	trans	-59	-45.2	176	-171.9	178.9	-176.2	-83.4	0	111.7	L186 L187 I192 S193 E194	L186-K190 WeakPolarHBondContact O-CB 3.24Å; L186-K190 PolarHBondContact O-N 3.31Å; L187-K190 PolarHBondContact O-N 3.28Å; K190-I192 PolarHBondContact O-N 2.82Å; K190-S193 PolarHBondContact O-N 3.39Å; K190-E194 IonicContact NZ-OE1 2.78Å; K190-E194 PolarHBondContact NZ-OE1 3.42Å; K190-E194 VanDerWaalsContact O-CG 3.29Å; K190-E194 WeakPolarHBondContact O-CG 3.12Å; K190-E194 PolarHBondContact O-N 3.31Å
191	S	63.2	Low	57.7	Low	9 Å²	9	52.5 Å²	52.5	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-19.9	175	83.6	0	0	0	0	113.5	L187 L188 A189 V195 G495 N497	L187-S191 PolarHBondContact O-N 3.48Å; L188-S191 PolarHBondContact O-N 2.84Å; L188-S191 PolarHBondContact O-OG 2.91Å; A189-S191 PolarHBondContact O-N 3.49Å; S191-V195 WeakPolarHBondContact O-CG2 3.37Å; S191-G495 WeakPolarHBondContact CB-O 3.38Å; S191-G495 WeakPolarHBondContact OG-CA 3.36Å; S191-N497 PolarHBondContact O-ND2 3.27Å
192	I	60.8	Low	56.7	Low	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-85.5	-44.3	174	-73.7	161.7	0	0	0	110.4	L188 A189 K190 E194 V195 L196 L233 M234 R237	L188-I192 HydrophobicContact CD1-CD1 4.08Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CD1 3.21Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.39Å; L188-I192 PolarHBondContact O-N 3.27Å; A189-I192 CarbonylContact O-C 3.57Å; A189-I192 WeakPolarHBondContact O-CA 3.49Å; A189-I192 WeakPolarHBondContact O-CB 3.18Å; A189-I192 PolarHBondContact O-N 3.42Å; K190-I192 PolarHBondContact O-N 2.82Å; I192-E194 PolarHBondContact O-N 2.59Å; I192-V195 CarbonylContact O-C 3.59Å; I192-V195 WeakPolarHBondContact O-CA 3.29Å; I192-V195 PolarHBondContact O-N 3.43Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.41Å; I192-L196 WeakPolarHBondContact O-CG 3.41Å; I192-L196 PolarHBondContact O-N 3.09Å; I192-L233 HydrophobicContact CG2-CB 4.3Å; I192-L233 HydrophobicContact CG2-CD2 3.75Å; I192-L233 HydrophobicContact CG2-CG 4Å; I192-M234 HydrophobicContact CD1-CB 4.4Å; I192-M234 HydrophobicContact CD1-CG 3.47Å; I192-M234 VanDerWaalsContact CD1-CG 3.47Å; I192-R237 VanDerWaalsContact CG1-CZ 3.5Å
193	S	58.1	Low	55.8	Low	20 Å²	20	61 Å²	61	14%	0.14	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-44.8	174.4	-56.9	0	0	0	0	111.2	A189 K190 V195 L196 E197 E230	A189-S193 PolarHBondContact O-N 2.86Å; A189-S193 PolarHBondContact O-OG 2.87Å; K190-S193 PolarHBondContact O-N 3.39Å; S193-V195 PolarHBondContact O-N 2.9Å; S193-V195 VanDerWaalsContact O-N 3.16Å; S193-L196 CarbonylContact O-C 3.57Å; S193-L196 WeakPolarHBondContact O-CA 3.26Å; S193-L196 PolarHBondContact O-N 2.82Å; S193-E197 WeakPolarHBondContact O-CB 3.28Å; S193-E197 WeakPolarHBondContact O-CG 3.25Å; S193-E197 PolarHBondContact O-N 3.17Å; S193-E230 PolarHBondContact OG-OE1 3.34Å
194	E	61.8	Low	54.5	Low	69 Å²	69	65.4 Å²	65.4	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-56	-32.9	173.4	-71.7	164.8	179.5	0	0	113	K190 I192 S198	K190-E194 IonicContact NZ-OE1 2.78Å; K190-E194 PolarHBondContact NZ-OE1 3.42Å; K190-E194 VanDerWaalsContact O-CG 3.29Å; K190-E194 WeakPolarHBondContact O-CG 3.12Å; K190-E194 PolarHBondContact O-N 3.31Å; I192-E194 PolarHBondContact O-N 2.59Å; E194-S198 WeakPolarHBondContact O-CB 3.28Å; E194-S198 PolarHBondContact O-N 2.94Å; E194-S198 PolarHBondContact O-OG 3.03Å
195	V	54.9	Low	53.1	Low	14 Å²	14	74.4 Å²	74.4	9%	0.085	37%	0.374	C	S	.	.	H	α-helix	trans	-89.7	-3.6	178	169.7	0	0	0	0	113	S191 I192 S193 K199 N497	S191-V195 WeakPolarHBondContact O-CG2 3.37Å; I192-V195 CarbonylContact O-C 3.59Å; I192-V195 WeakPolarHBondContact O-CA 3.29Å; I192-V195 PolarHBondContact O-N 3.43Å; S193-V195 PolarHBondContact O-N 2.9Å; S193-V195 VanDerWaalsContact O-N 3.16Å; V195-K199 WeakPolarHBondContact O-CE 3.45Å; V195-K199 WeakPolarHBondContact O-CG 3.45Å; V195-N497 HydrophobicContact CG2-CB 4.38Å; V195-N497 VanDerWaalsContact CG2-CG 3.49Å; V195-N497 WeakPolarHBondContact CG2-ND2 3.37Å; V195-N497 WeakPolarHBondContact CG2-OD1 3.41Å
196	L	53.8	Low	51.7	Low	20 Å²	20	82.8 Å²	82.8	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-103.4	-42.6	172.4	-73.5	175	0	0	0	111.4	I192 S193 S198 K199 M200 E230 L233	I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.41Å; I192-L196 WeakPolarHBondContact O-CG 3.41Å; I192-L196 PolarHBondContact O-N 3.09Å; S193-L196 CarbonylContact O-C 3.57Å; S193-L196 WeakPolarHBondContact O-CA 3.26Å; S193-L196 PolarHBondContact O-N 2.82Å; L196-S198 VanDerWaalsContact C-N 3.28Å; L196-S198 PolarHBondContact O-N 2.75Å; L196-K199 HydrophobicContact CD2-CD 4.25Å; L196-K199 WeakPolarHBondContact O-CB 3.46Å; L196-K199 PolarHBondContact O-N 3.39Å; L196-M200 PolarHBondContact O-N 3.02Å; L196-E230 HydrophobicContact CD1-CG 3.73Å; L196-L233 HydrophobicContact CD1-CD2 4.16Å; L196-L233 HydrophobicContact CD2-CD2 3.82Å; L196-L233 HydrophobicContact CG-CD2 4.08Å
197	E	51.9	Low	50.4	Low	116 Å²	116	86 Å²	86	54%	0.542	43%	0.425	S	S	.	.	H	α-helix	trans	-58.3	-42.1	171.8	-70.2	169.8	177.5	0	0	110.2	S193 K199 M200	S193-E197 WeakPolarHBondContact O-CB 3.28Å; S193-E197 WeakPolarHBondContact O-CG 3.25Å; S193-E197 PolarHBondContact O-N 3.17Å; E197-K199 PolarHBondContact O-N 2.98Å; E197-M200 PolarHBondContact O-N 3.38Å
198	S	48.8	Very low	48.7	Very low	26 Å²	26	87.3 Å²	87.3	18%	0.182	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-3.2	174	77.7	0	0	0	0	115.2	E194 L196	E194-S198 WeakPolarHBondContact O-CB 3.28Å; E194-S198 PolarHBondContact O-N 2.94Å; E194-S198 PolarHBondContact O-OG 3.03Å; L196-S198 VanDerWaalsContact C-N 3.28Å; L196-S198 PolarHBondContact O-N 2.75Å
199	K	42.3	Very low	47.3	Very low	98 Å²	98	94.5 Å²	94.5	43%	0.426	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-15.6	168.9	-60.5	173.4	-176	170.5	0	113	V195 L196 E197 I201	V195-K199 WeakPolarHBondContact O-CE 3.45Å; V195-K199 WeakPolarHBondContact O-CG 3.45Å; L196-K199 HydrophobicContact CD2-CD 4.25Å; L196-K199 WeakPolarHBondContact O-CB 3.46Å; L196-K199 PolarHBondContact O-N 3.39Å; E197-K199 PolarHBondContact O-N 2.98Å; K199-I201 PolarHBondContact O-N 3.03Å
200	M	35.5	Very low	46	Very low	118 Å²	118	103.1 Å²	103.1	58%	0.581	51%	0.512	S	S	*	.			trans	-87	90.8	-178.4	-73.4	-162.5	149.4	0	0	110.5	L196 E197 Y222	L196-M200 PolarHBondContact O-N 3.02Å; E197-M200 PolarHBondContact O-N 3.38Å; M200-Y222 VanDerWaalsContact CE-OH 3.3Å; M200-Y222 WeakPolarHBondContact CE-OH 3.15Å; M200-Y222 PolarHBondContact SD-OH 2.9Å
201	I	38.9	Very low	44.7	Very low	149 Å²	149	104.4 Å²	104.4	76%	0.764	52%	0.523	S	S	*	.			trans	-61.3	128.1	171	-52.3	172.7	0	0	0	108.8	K199 E203	K199-I201 PolarHBondContact O-N 3.03Å; I201-E203 PolarHBondContact O-N 2.94Å
202	P	41.7	Very low	43.4	Very low	100 Å²	100	112.2 Å²	112.2	65%	0.649	56%	0.563	S	S	*	*			trans	-60.2	131.1	169	-21.9	33.6	0	0	0	111	E204	P202-E204 PolarHBondContact O-N 3.45Å
203	E	39.7	Very low	42.2	Very low	143 Å²	143	123 Å²	123	67%	0.668	60%	0.604	S	S	*	*			trans	-73.8	11.1	-172.8	-75	-152.1	100.6	0	0	115.5	I201 E205 R206	I201-E203 PolarHBondContact O-N 2.94Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 2.75Å; E203-E205 VanDerWaalsContact O-N 3.16Å; E203-R206 IonicContact OE1-CZ 2.67Å; E203-R206 IonicContact OE1-NH1 3.83Å; E203-R206 PolarHBondContact OE1-NH1 3.07Å
204	E	38	Very low	41	Very low	185 Å²	185	131.1 Å²	131.1	86%	0.864	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-8.2	-159.3	-61.2	-159.5	119.5	0	0	116.8	P202	P202-E204 PolarHBondContact O-N 3.45Å
205	E	38.7	Very low	39.6	Very low	191 Å²	191	136.3 Å²	136.3	89%	0.893	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	11.8	178.9	-72.7	-152.2	130.6	0	0	115.8	E203 P207	E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 2.75Å; E203-E205 VanDerWaalsContact O-N 3.16Å; E205-P207 VanDerWaalsContact O-CD 3.29Å; E205-P207 WeakPolarHBondContact O-CD 3.29Å
206	R	34.1	Very low	38.5	Very low	196 Å²	196	146 Å²	146	74%	0.74	70%	0.701	S	S	*	*			trans	-76.3	118.8	175.5	-85.6	-178.3	166.4	157.1	-3.6	112.2	E203	E203-R206 IonicContact OE1-CZ 2.67Å; E203-R206 IonicContact OE1-NH1 3.83Å; E203-R206 PolarHBondContact OE1-NH1 3.07Å
207	P	36.2	Very low	37.6	Very low	113 Å²	113	150.2 Å²	150.2	73%	0.734	73%	0.728	S	S	*	*			trans	-62.7	148.7	-176.1	-24.4	35.4	0	0	0	114	E205 N209	E205-P207 VanDerWaalsContact O-CD 3.29Å; E205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-N209 PolarHBondContact O-N 2.83Å
208	T	31.8	Very low	36.9	Very low	126 Å²	126	148.1 Å²	148.1	77%	0.773	73%	0.726	S	S	*	*			trans	-64.2	92.1	-170	54.5	0	0	0	0	114.7
209	N	36.6	Very low	36.5	Very low	154 Å²	154	153.4 Å²	153.4	82%	0.824	75%	0.753	S	S	*	*			trans	-98.4	98.4	163	-93.4	-40.6	0	0	0	110.8	P207 I211	P207-N209 PolarHBondContact O-N 2.83Å; N209-I211 PolarHBondContact O-N 3.33Å
210	K	35.1	Very low	36.2	Very low	191 Å²	191	155.6 Å²	155.6	83%	0.83	76%	0.764	S	S	*	*			trans	-76.6	44.3	-171.3	-66.8	178	175.5	172.6	0	115.1
211	I	37.4	Very low	36.2	Very low	154 Å²	154	153.2 Å²	153.2	79%	0.79	76%	0.758	S	S	*	*			trans	-137.5	89	165.4	-58.1	88.9	0	0	0	110.5	N209	N209-I211 PolarHBondContact O-N 3.33Å
212	L	36.5	Very low	36.5	Very low	174 Å²	174	152.1 Å²	152.1	91%	0.911	75%	0.745	S	S	*	*			trans	-165.8	121.5	146.5	-109.9	154.1	0	0	0	108.6
213	R	35.2	Very low	36.7	Very low	226 Å²	226	152 Å²	152	85%	0.853	74%	0.737	S	S	*	*			trans	-106.7	130.5	-173.3	-82.9	177.4	168.4	169.3	-3.5	111.1
214	K	31.3	Very low	37.4	Very low	191 Å²	191	147.6 Å²	147.6	83%	0.83	72%	0.72	S	S	*	*			trans	52.5	89.6	148.7	-60.1	-178.2	175.9	-174.5	0	117.1
215	H	33.7	Very low	38.4	Very low	178 Å²	178	142.5 Å²	142.5	82%	0.824	70%	0.702	S	S	*	*			trans	-123.2	118.7	136.9	-93.3	-98.3	0	0	0	109	T217	H215-T217 VanDerWaalsContact C-N 3.33Å; H215-T217 PolarHBondContact O-N 3.37Å
216	K	31.7	Very low	39.5	Very low	217 Å²	217	135.8 Å²	135.8	94%	0.943	67%	0.671	S	S	*	*			trans	-84.3	79.8	164.8	-84	-169.7	171.1	-172.2	0	107.9	S218	K216-S218 PolarHBondContact O-N 3.29Å
217	T	34.3	Very low	40.7	Very low	109 Å²	109	130.3 Å²	130.3	67%	0.669	65%	0.65	S	S	*	*			trans	-64.3	125.4	161	34	0	0	0	0	107.9	H215	H215-T217 VanDerWaalsContact C-N 3.33Å; H215-T217 PolarHBondContact O-N 3.37Å
218	S	38.3	Very low	42	Very low	72 Å²	72	128.9 Å²	128.9	50%	0.503	63%	0.633	S	S	.	*			trans	-72.2	144.8	-177.9	61.1	0	0	0	0	110.8	K216 H220 C221 Y222	K216-S218 PolarHBondContact O-N 3.29Å; S218-H220 PolarHBondContact O-N 3.25Å; S218-C221 WeakPolarHBondContact O-CB 3.45Å; S218-C221 PolarHBondContact O-N 3.14Å; S218-Y222 PolarHBondContact O-N 3.12Å
219	N	39.8	Very low	43.5	Very low	137 Å²	137	127.6 Å²	127.6	73%	0.733	62%	0.618	S	S	*	*	H	α-helix	trans	-53	-29.4	174.6	-65.6	14.2	0	0	0	112.1	C221 Y222 M223	N219-C221 VanDerWaalsContact C-N 3.33Å; N219-C221 PolarHBondContact O-N 3.3Å; N219-Y222 PolarHBondContact O-N 3.01Å; N219-M223 WeakPolarHBondContact O-CB 3.48Å; N219-M223 VanDerWaalsContact O-CG 3.24Å; N219-M223 WeakPolarHBondContact O-CG 3.26Å; N219-M223 PolarHBondContact O-N 3.47Å
220	H	35.4	Very low	44.6	Very low	144 Å²	144	121.1 Å²	121.1	67%	0.667	58%	0.583	S	S	*	*	H	α-helix	trans	-64.1	-34.4	176.4	-159.5	-31.3	0	0	0	112.8	S218 T224	S218-H220 PolarHBondContact O-N 3.25Å; H220-T224 PolarHBondContact O-N 2.88Å; H220-T224 VanDerWaalsContact O-N 3.12Å; H220-T224 PolarHBondContact O-OG1 3.43Å
221	C	36.8	Very low	46	Very low	68 Å²	68	112.3 Å²	112.3	46%	0.459	55%	0.545	S	S	.	.	H	α-helix	trans	-67	-48.4	174.6	-172.4	0	0	0	0	110.7	S218 N219 M223 T224 T225	S218-C221 WeakPolarHBondContact O-CB 3.45Å; S218-C221 PolarHBondContact O-N 3.14Å; N219-C221 VanDerWaalsContact C-N 3.33Å; N219-C221 PolarHBondContact O-N 3.3Å; C221-M223 PolarHBondContact O-N 3.35Å; C221-T224 PolarHBondContact O-N 3.02Å; C221-T224 VanDerWaalsContact O-N 3.11Å; C221-T225 PolarHBondContact O-N 3Å; C221-T225 PolarHBondContact O-OG1 3.12Å
222	Y	43.5	Very low	47.3	Very low	125 Å²	125	110.2 Å²	110.2	49%	0.49	53%	0.532	S	S	.	.	H	α-helix	trans	-58.7	-44.3	177.5	-164.3	-85.2	0	0	0	112.5	M200 S218 N219 T224 T225 Q226	M200-Y222 VanDerWaalsContact CE-OH 3.3Å; M200-Y222 WeakPolarHBondContact CE-OH 3.15Å; M200-Y222 PolarHBondContact SD-OH 2.9Å; S218-Y222 PolarHBondContact O-N 3.12Å; N219-Y222 PolarHBondContact O-N 3.01Å; Y222-T224 VanDerWaalsContact C-N 3.31Å; Y222-T224 PolarHBondContact O-N 3.48Å; Y222-T225 PolarHBondContact O-N 3.4Å; Y222-T225 PolarHBondContact O-OG1 3.3Å; Y222-Q226 WeakPolarHBondContact O-CB 3.37Å; Y222-Q226 PolarHBondContact O-N 2.6Å
223	M	47.5	Very low	48.5	Very low	97 Å²	97	103.8 Å²	103.8	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-30.3	176.6	-73.2	-75.8	159.2	0	0	113	N219 C221 R227	N219-M223 WeakPolarHBondContact O-CB 3.48Å; N219-M223 VanDerWaalsContact O-CG 3.24Å; N219-M223 WeakPolarHBondContact O-CG 3.26Å; N219-M223 PolarHBondContact O-N 3.47Å; C221-M223 PolarHBondContact O-N 3.35Å; M223-R227 VanDerWaalsContact O-CG 3.28Å; M223-R227 WeakPolarHBondContact O-CG 3.42Å; M223-R227 PolarHBondContact O-N 3.45Å
224	T	53.5	Low	49.7	Very low	51 Å²	51	93.4 Å²	93.4	31%	0.313	46%	0.459	S	S	.	.	H	α-helix	trans	-73.2	-47	174.2	-62.9	0	0	0	0	110.9	H220 C221 Y222 Q226 R227 E228	H220-T224 PolarHBondContact O-N 2.88Å; H220-T224 VanDerWaalsContact O-N 3.12Å; H220-T224 PolarHBondContact O-OG1 3.43Å; C221-T224 PolarHBondContact O-N 3.02Å; C221-T224 VanDerWaalsContact O-N 3.11Å; Y222-T224 VanDerWaalsContact C-N 3.31Å; Y222-T224 PolarHBondContact O-N 3.48Å; T224-Q226 VanDerWaalsContact C-N 3.34Å; T224-Q226 PolarHBondContact O-N 3.11Å; T224-R227 PolarHBondContact O-N 3.26Å; T224-E228 WeakPolarHBondContact O-CG 3.22Å; T224-E228 PolarHBondContact O-N 2.86Å
225	T	59.9	Low	51.2	Low	79 Å²	79	86.2 Å²	86.2	49%	0.485	43%	0.428	S	S	.	.	H	α-helix	trans	-64.7	-35.8	177.9	51.2	0	0	0	0	112.5	C221 Y222 E228 H229	C221-T225 PolarHBondContact O-N 3Å; C221-T225 PolarHBondContact O-OG1 3.12Å; Y222-T225 PolarHBondContact O-N 3.4Å; Y222-T225 PolarHBondContact O-OG1 3.3Å; T225-E228 PolarHBondContact O-N 2.68Å; T225-H229 WeakPolarHBondContact O-CB 3.03Å; T225-H229 PolarHBondContact O-N 2.92Å
226	Q	60.2	Low	52.6	Low	50 Å²	50	80.8 Å²	80.8	23%	0.234	41%	0.408	C	S	.	.	H	α-helix	trans	-61	-51.2	172.7	-179	175.3	-12.9	0	0	111.7	Y222 T224 E228 H229 E230	Y222-Q226 WeakPolarHBondContact O-CB 3.37Å; Y222-Q226 PolarHBondContact O-N 2.6Å; T224-Q226 VanDerWaalsContact C-N 3.34Å; T224-Q226 PolarHBondContact O-N 3.11Å; Q226-E228 PolarHBondContact O-N 3.27Å; Q226-H229 PolarHBondContact O-N 3.43Å; Q226-H229 VanDerWaalsContact O-N 3.16Å; Q226-E230 HydrophobicContact CG-CG 4.47Å; Q226-E230 PolarHBondContact NE2-OE1 3.33Å; Q226-E230 WeakPolarHBondContact O-CB 3.33Å; Q226-E230 WeakPolarHBondContact O-CG 3.2Å; Q226-E230 PolarHBondContact O-N 3.43Å
227	R	59.3	Low	54.1	Low	80 Å²	80	72.6 Å²	72.6	30%	0.302	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-26.3	177.8	-71.6	175.1	-178.8	-155.8	-1.3	113.2	M223 T224 W231 Y358	M223-R227 VanDerWaalsContact O-CG 3.28Å; M223-R227 WeakPolarHBondContact O-CG 3.42Å; M223-R227 PolarHBondContact O-N 3.45Å; T224-R227 PolarHBondContact O-N 3.26Å; R227-W231 VanDerWaalsContact O-CB 3.23Å; R227-W231 WeakPolarHBondContact O-CB 3.02Å; R227-W231 PolarHBondContact O-N 2.97Å; R227-W231 VanDerWaalsContact O-N 3.15Å; R227-Y358 HydrophobicContact CB-CD1 4.35Å; R227-Y358 HydrophobicContact CB-CE1 3.99Å
228	E	64	Low	55.3	Low	83 Å²	83	67.8 Å²	67.8	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-75.4	-41.7	173.5	-74.4	-179.4	156.4	0	0	111.8	T224 T225 Q226 W231 E232 Y358	T224-E228 WeakPolarHBondContact O-CG 3.22Å; T224-E228 PolarHBondContact O-N 2.86Å; T225-E228 PolarHBondContact O-N 2.68Å; Q226-E228 PolarHBondContact O-N 3.27Å; E228-W231 WeakPolarHBondContact O-CB 3.38Å; E228-W231 PolarHBondContact O-N 2.84Å; E228-E232 WeakPolarHBondContact O-CG 3.35Å; E228-E232 PolarHBondContact O-N 3.31Å; E228-Y358 WeakPolarHBondContact CG-OH 3.23Å
229	H	63.1	Low	56.3	Low	100 Å²	100	67 Å²	67	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-40.2	175.2	-165.4	60.8	0	0	0	113.1	T225 Q226 W231 E232 L233	T225-H229 WeakPolarHBondContact O-CB 3.03Å; T225-H229 PolarHBondContact O-N 2.92Å; Q226-H229 PolarHBondContact O-N 3.43Å; Q226-H229 VanDerWaalsContact O-N 3.16Å; H229-W231 VanDerWaalsContact C-N 3.3Å; H229-W231 PolarHBondContact O-N 3Å; H229-E232 PolarHBondContact O-N 3.21Å; H229-L233 WeakPolarHBondContact O-CB 3.2Å; H229-L233 PolarHBondContact O-N 3.34Å
230	E	60.8	Low	57.2	Low	17 Å²	17	64.3 Å²	64.3	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-56.4	-46	169.5	-75.3	171.2	165.6	0	0	110.8	S193 L196 Q226 L233 M234 F359	S193-E230 PolarHBondContact OG-OE1 3.34Å; L196-E230 HydrophobicContact CD1-CG 3.73Å; Q226-E230 HydrophobicContact CG-CG 4.47Å; Q226-E230 PolarHBondContact NE2-OE1 3.33Å; Q226-E230 WeakPolarHBondContact O-CB 3.33Å; Q226-E230 WeakPolarHBondContact O-CG 3.2Å; Q226-E230 PolarHBondContact O-N 3.43Å; E230-L233 PolarHBondContact O-N 3.19Å; E230-M234 WeakPolarHBondContact O-CB 3.31Å; E230-M234 WeakPolarHBondContact O-CG 3.45Å; E230-M234 PolarHBondContact O-N 2.86Å; E230-F359 HydrophobicContact CB-CZ 4.44Å
231	W	63.4	Low	58.2	Low	6 Å²	6	57.7 Å²	57.7	2%	0.023	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-45.7	177.6	175.7	-100.6	0	0	0	112.8	R227 E228 H229 L233 M234 Q235 F359 K362 L363 L366 M369	R227-W231 VanDerWaalsContact O-CB 3.23Å; R227-W231 WeakPolarHBondContact O-CB 3.02Å; R227-W231 PolarHBondContact O-N 2.97Å; R227-W231 VanDerWaalsContact O-N 3.15Å; E228-W231 WeakPolarHBondContact O-CB 3.38Å; E228-W231 PolarHBondContact O-N 2.84Å; H229-W231 VanDerWaalsContact C-N 3.3Å; H229-W231 PolarHBondContact O-N 3Å; W231-L233 VanDerWaalsContact C-N 3.3Å; W231-L233 PolarHBondContact O-N 2.77Å; W231-M234 PolarHBondContact O-N 3.41Å; W231-Q235 HydrophobicContact CD2-CG 4.17Å; W231-Q235 VanDerWaalsContact CE2-CD 3.48Å; W231-Q235 VanDerWaalsContact CE2-CG 3.47Å; W231-Q235 HydrophobicContact CH2-CG 4.04Å; W231-Q235 HydrophobicContact CZ2-CG 3.4Å; W231-Q235 VanDerWaalsContact CZ2-CG 3.4Å; W231-Q235 WeakPolarHBondContact O-CG 3.49Å; W231-Q235 PolarHBondContact O-N 2.84Å; W231-F359 HydrophobicContact CB-CE1 4.09Å; W231-F359 HydrophobicContact CD2-CD1 4.44Å; W231-F359 AromaticContact CE3-CD1 3.57Å; W231-F359 HydrophobicContact CE3-CD1 3.57Å; W231-F359 AromaticContact CE3-CE1 4Å; W231-F359 HydrophobicContact CE3-CE1 4Å; W231-F359 HydrophobicContact CZ3-CD1 4.25Å; W231-K362 HydrophobicContact CB-CD 4.39Å; W231-K362 HydrophobicContact CD2-CD 3.79Å; W231-K362 HydrophobicContact CD2-CG 4.33Å; W231-K362 HydrophobicContact CG-CD 3.61Å; W231-K362 HydrophobicContact CZ2-CG 4.49Å; W231-L363 HydrophobicContact CH2-CD1 4.1Å; W231-L363 HydrophobicContact CH2-CD2 3.6Å; W231-L363 HydrophobicContact CH2-CG 3.51Å; W231-L363 HydrophobicContact CZ3-CD1 3.9Å; W231-L363 HydrophobicContact CZ3-CD2 4.22Å; W231-L363 HydrophobicContact CZ3-CG 3.84Å; W231-L366 HydrophobicContact CZ2-CD1 3.48Å; W231-L366 VanDerWaalsContact CZ2-CD1 3.48Å; W231-M369 HydrophobicContact CZ2-CG 4.27Å
232	E	64.5	Low	59.1	Low	111 Å²	111	55.4 Å²	55.4	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-39.1	176.1	-75.1	175.7	168.6	0	0	111.7	E228 H229 Q235 T236	E228-E232 WeakPolarHBondContact O-CG 3.35Å; E228-E232 PolarHBondContact O-N 3.31Å; H229-E232 PolarHBondContact O-N 3.21Å; E232-Q235 PolarHBondContact O-N 3.41Å; E232-T236 VanDerWaalsContact O-CB 3.28Å; E232-T236 WeakPolarHBondContact O-CB 3.41Å; E232-T236 PolarHBondContact O-N 3.06Å; E232-T236 PolarHBondContact O-OG1 3.41Å
233	L	61.9	Low	59.6	Low	39 Å²	39	49.6 Å²	49.6	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-70.9	-37.2	176.4	-173.7	51.8	0	0	0	112.1	I192 L196 H229 E230 W231 T236 R237	I192-L233 HydrophobicContact CG2-CB 4.3Å; I192-L233 HydrophobicContact CG2-CD2 3.75Å; I192-L233 HydrophobicContact CG2-CG 4Å; L196-L233 HydrophobicContact CD1-CD2 4.16Å; L196-L233 HydrophobicContact CD2-CD2 3.82Å; L196-L233 HydrophobicContact CG-CD2 4.08Å; H229-L233 WeakPolarHBondContact O-CB 3.2Å; H229-L233 PolarHBondContact O-N 3.34Å; E230-L233 PolarHBondContact O-N 3.19Å; W231-L233 VanDerWaalsContact C-N 3.3Å; W231-L233 PolarHBondContact O-N 2.77Å; L233-T236 PolarHBondContact O-N 3.01Å; L233-R237 WeakPolarHBondContact O-CG 3.28Å; L233-R237 PolarHBondContact O-N 3.08Å
234	M	60.6	Low	59.8	Low	8 Å²	8	45.4 Å²	45.4	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-49.4	169.6	-75.8	-173.5	91.8	0	0	111.7	A185 L188 A189 I192 E230 W231 T236 R237 L238 F359	A185-M234 HydrophobicContact CB-CE 4.48Å; A185-M234 VanDerWaalsContact O-CE 3.25Å; A185-M234 WeakPolarHBondContact O-CE 3.43Å; L188-M234 HydrophobicContact CB-CE 4.5Å; L188-M234 HydrophobicContact CG-CE 4.42Å; A189-M234 HydrophobicContact CB-CE 3.81Å; A189-M234 HydrophobicContact CB-SD 3.71Å; I192-M234 HydrophobicContact CD1-CB 4.4Å; I192-M234 HydrophobicContact CD1-CG 3.47Å; I192-M234 VanDerWaalsContact CD1-CG 3.47Å; E230-M234 WeakPolarHBondContact O-CB 3.31Å; E230-M234 WeakPolarHBondContact O-CG 3.45Å; E230-M234 PolarHBondContact O-N 2.86Å; W231-M234 PolarHBondContact O-N 3.41Å; M234-T236 VanDerWaalsContact C-N 3.28Å; M234-T236 PolarHBondContact O-N 2.9Å; M234-R237 PolarHBondContact O-N 3.05Å; M234-L238 WeakPolarHBondContact O-CB 3.35Å; M234-L238 VanDerWaalsContact O-CG 3.29Å; M234-L238 WeakPolarHBondContact O-CG 3.42Å; M234-L238 PolarHBondContact O-N 3.1Å; M234-F359 HydrophobicContact SD-CE1 4.23Å; M234-F359 HydrophobicContact SD-CZ 4.25Å
235	Q	63.4	Low	59.5	Low	39 Å²	39	43.8 Å²	43.8	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-42.9	174.2	-71.3	-165	-80.5	0	0	111	W231 E232 R237 L238 N239 M369	W231-Q235 HydrophobicContact CD2-CG 4.17Å; W231-Q235 VanDerWaalsContact CE2-CD 3.48Å; W231-Q235 VanDerWaalsContact CE2-CG 3.47Å; W231-Q235 HydrophobicContact CH2-CG 4.04Å; W231-Q235 HydrophobicContact CZ2-CG 3.4Å; W231-Q235 VanDerWaalsContact CZ2-CG 3.4Å; W231-Q235 WeakPolarHBondContact O-CG 3.49Å; W231-Q235 PolarHBondContact O-N 2.84Å; E232-Q235 PolarHBondContact O-N 3.41Å; Q235-R237 PolarHBondContact O-N 2.63Å; Q235-L238 PolarHBondContact O-N 2.89Å; Q235-N239 WeakPolarHBondContact O-CB 3.44Å; Q235-N239 PolarHBondContact O-N 3.45Å; Q235-N239 PolarHBondContact O-ND2 3.06Å; Q235-N239 PolarHBondContact O-OD1 2.94Å; Q235-M369 HydrophobicContact CG-CE 4.28Å; Q235-M369 HydrophobicContact CG-SD 4.06Å; Q235-M369 PolarHBondContact NE2-SD 3.01Å
236	T	63.6	Low	59.2	Low	65 Å²	65	40.7 Å²	40.7	40%	0.399	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-40.3	179.5	-60.6	0	0	0	0	112.1	E232 L233 M234 Q240	E232-T236 VanDerWaalsContact O-CB 3.28Å; E232-T236 WeakPolarHBondContact O-CB 3.41Å; E232-T236 PolarHBondContact O-N 3.06Å; E232-T236 PolarHBondContact O-OG1 3.41Å; L233-T236 PolarHBondContact O-N 3.01Å; M234-T236 VanDerWaalsContact C-N 3.28Å; M234-T236 PolarHBondContact O-N 2.9Å; T236-Q240 VanDerWaalsContact CG2-NE2 3.32Å; T236-Q240 WeakPolarHBondContact O-CB 3.32Å; T236-Q240 WeakPolarHBondContact O-CG 3.39Å; T236-Q240 PolarHBondContact O-N 3.48Å
237	R	61.4	Low	58.1	Low	44 Å²	44	38.8 Å²	38.8	17%	0.166	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-48.1	173.7	-71.4	-165.1	-169.6	-171.5	9	112	I192 L233 M234 Q235 N239 Q240 F241 E492	I192-R237 VanDerWaalsContact CG1-CZ 3.5Å; L233-R237 WeakPolarHBondContact O-CG 3.28Å; L233-R237 PolarHBondContact O-N 3.08Å; M234-R237 PolarHBondContact O-N 3.05Å; Q235-R237 PolarHBondContact O-N 2.63Å; R237-N239 VanDerWaalsContact C-N 3.34Å; R237-N239 PolarHBondContact O-N 3.13Å; R237-Q240 PolarHBondContact O-N 3.04Å; R237-Q240 VanDerWaalsContact O-N 3.16Å; R237-F241 PolarHBondContact O-N 2.99Å; R237-E492 PolarHBondContact NH1-O 2.98Å
238	L	60.3	Low	57.1	Low	9 Å²	9	37.8 Å²	37.8	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-41.6	179.6	-70.5	166.4	0	0	0	111.9	I172 M234 Q235 Q240 F241 M369 F373 F493	I172-L238 HydrophobicContact CG2-CD2 4.29Å; M234-L238 WeakPolarHBondContact O-CB 3.35Å; M234-L238 VanDerWaalsContact O-CG 3.29Å; M234-L238 WeakPolarHBondContact O-CG 3.42Å; M234-L238 PolarHBondContact O-N 3.1Å; Q235-L238 PolarHBondContact O-N 2.89Å; L238-Q240 VanDerWaalsContact C-N 3.27Å; L238-Q240 PolarHBondContact O-N 3.09Å; L238-F241 PolarHBondContact O-N 2.77Å; L238-M369 HydrophobicContact CB-CE 4.33Å; L238-M369 HydrophobicContact CD1-CE 3.92Å; L238-F373 HydrophobicContact CD1-CE2 4.39Å; L238-F373 HydrophobicContact CD1-CZ 3.85Å; L238-F373 HydrophobicContact CD2-CE1 4.41Å; L238-F373 HydrophobicContact CD2-CZ 4.1Å; L238-F493 HydrophobicContact CD2-CE2 4.24Å
239	N	59.8	Low	55.7	Low	55 Å²	55	39.4 Å²	39.4	29%	0.294	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.4	178.5	-63.3	-0.8	0	0	0	113.5	Q235 R237 L372 Q377	Q235-N239 WeakPolarHBondContact O-CB 3.44Å; Q235-N239 PolarHBondContact O-N 3.45Å; Q235-N239 PolarHBondContact O-ND2 3.06Å; Q235-N239 PolarHBondContact O-OD1 2.94Å; R237-N239 VanDerWaalsContact C-N 3.34Å; R237-N239 PolarHBondContact O-N 3.13Å; N239-L372 WeakPolarHBondContact OD1-CD1 3.48Å; N239-Q377 VanDerWaalsContact O-CD 3.3Å; N239-Q377 PolarHBondContact O-NE2 3.36Å; N239-Q377 PolarHBondContact O-OE1 3.4Å
240	Q	57.6	Low	54.6	Low	80 Å²	80	39.4 Å²	39.4	37%	0.374	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-9.9	175.4	-77.5	-176.2	33.4	0	0	113.1	T236 R237 L238 R489	T236-Q240 VanDerWaalsContact CG2-NE2 3.32Å; T236-Q240 WeakPolarHBondContact O-CB 3.32Å; T236-Q240 WeakPolarHBondContact O-CG 3.39Å; T236-Q240 PolarHBondContact O-N 3.48Å; R237-Q240 PolarHBondContact O-N 3.04Å; R237-Q240 VanDerWaalsContact O-N 3.16Å; L238-Q240 VanDerWaalsContact C-N 3.27Å; L238-Q240 PolarHBondContact O-N 3.09Å; Q240-R489 VanDerWaalsContact OE1-CZ 3.28Å
241	F	56.3	Low	53.4	Low	5 Å²	5	42.2 Å²	42.2	2%	0.022	21%	0.211	C	C	.	.	S	Bend	trans	-92.1	132	-178	-168.3	-95.6	0	0	0	111.1	Y169 R237 L238 W243 Y390 R489 M490 F493	Y169-F241 AromaticContact CE2-CE1 3.84Å; Y169-F241 HydrophobicContact CE2-CE1 3.84Å; Y169-F241 HydrophobicContact CE2-CZ 4.07Å; R237-F241 PolarHBondContact O-N 2.99Å; L238-F241 PolarHBondContact O-N 2.77Å; F241-W243 HydrophobicContact CD1-CB 3.99Å; F241-W243 HydrophobicContact CD1-CG 4.28Å; F241-W243 HydrophobicContact CE1-CB 3.97Å; F241-Y390 HydrophobicContact CE1-CE2 4.28Å; F241-Y390 HydrophobicContact CE2-CD1 4.36Å; F241-Y390 AromaticContact CE2-CE1 3.66Å; F241-Y390 HydrophobicContact CE2-CE1 3.66Å; F241-Y390 HydrophobicContact CE2-CE2 4.32Å; F241-Y390 AromaticContact CE2-CZ 3.64Å; F241-Y390 HydrophobicContact CZ-CD1 4.23Å; F241-Y390 HydrophobicContact CZ-CD2 4.16Å; F241-Y390 AromaticContact CZ-CE1 3.82Å; F241-Y390 HydrophobicContact CZ-CE1 3.82Å; F241-Y390 AromaticContact CZ-CE2 3.8Å; F241-Y390 HydrophobicContact CZ-CE2 3.8Å; F241-Y390 HydrophobicContact CZ-CG 4.4Å; F241-Y390 AromaticContact CZ-CZ 3.6Å; F241-R489 HydrophobicContact CD2-CB 4.24Å; F241-R489 HydrophobicContact CE2-CB 4.25Å; F241-M490 HydrophobicContact CE2-SD 4.43Å; F241-M490 HydrophobicContact CZ-SD 4.07Å; F241-F493 HydrophobicContact CB-CD2 3.66Å; F241-F493 HydrophobicContact CB-CE2 4.06Å; F241-F493 HydrophobicContact CD1-CD1 4.4Å; F241-F493 AromaticContact CD1-CD2 3.47Å; F241-F493 HydrophobicContact CD1-CD2 3.47Å; F241-F493 VanDerWaalsContact CD1-CD2 3.47Å; F241-F493 HydrophobicContact CD1-CE1 4.39Å; F241-F493 AromaticContact CD1-CE2 3.44Å; F241-F493 HydrophobicContact CD1-CE2 3.44Å; F241-F493 VanDerWaalsContact CD1-CE2 3.44Å; F241-F493 AromaticContact CD1-CG 3.95Å; F241-F493 HydrophobicContact CD1-CG 3.95Å; F241-F493 AromaticContact CD1-CZ 3.92Å; F241-F493 HydrophobicContact CD1-CZ 3.92Å; F241-F493 HydrophobicContact CD2-CB 3.55Å; F241-F493 AromaticContact CD2-CD2 3.68Å; F241-F493 HydrophobicContact CD2-CD2 3.68Å; F241-F493 HydrophobicContact CD2-CE2 4.5Å; F241-F493 AromaticContact CD2-CG 3.73Å; F241-F493 HydrophobicContact CD2-CG 3.73Å; F241-F493 HydrophobicContact CE1-CD1 4.14Å; F241-F493 HydrophobicContact CE1-CD2 4.03Å; F241-F493 HydrophobicContact CE1-CE1 4.15Å; F241-F493 HydrophobicContact CE1-CE2 4.03Å; F241-F493 HydrophobicContact CE1-CG 4.07Å; F241-F493 HydrophobicContact CE1-CZ 4.08Å; F241-F493 HydrophobicContact CE2-CB 3.64Å; F241-F493 HydrophobicContact CE2-CD1 4.34Å; F241-F493 HydrophobicContact CE2-CD2 4.21Å; F241-F493 AromaticContact CE2-CG 3.83Å; F241-F493 HydrophobicContact CE2-CG 3.83Å; F241-F493 HydrophobicContact CG-CB 4.11Å; F241-F493 AromaticContact CG-CD2 3.27Å; F241-F493 HydrophobicContact CG-CD2 3.27Å; F241-F493 AromaticContact CG-CE2 3.73Å; F241-F493 HydrophobicContact CG-CE2 3.73Å; F241-F493 AromaticContact CG-CG 3.79Å; F241-F493 HydrophobicContact CG-CG 3.79Å; F241-F493 HydrophobicContact CZ-CB 4.26Å; F241-F493 HydrophobicContact CZ-CD1 4.11Å; F241-F493 HydrophobicContact CZ-CD2 4.37Å; F241-F493 HydrophobicContact CZ-CG 4.01Å
242	Q	55.5	Low	52.1	Low	21 Å²	21	46 Å²	46	10%	0.098	24%	0.236	C	C	.	.			trans	-89	120.9	177.2	-71.2	-175.2	2.9	0	0	110.9	Q377 E379 C384 Y390	Q242-Q377 VanDerWaalsContact CA-O 3.24Å; Q242-Q377 WeakPolarHBondContact CA-O 3.29Å; Q242-E379 PolarHBondContact NE2-O 3.23Å; Q242-C384 PolarHBondContact NE2-SG 3.17Å; Q242-C384 VanDerWaalsContact NE2-SG 3.44Å; Q242-C384 PolarHBondContact OE1-SG 3.34Å; Q242-Y390 HydrophobicContact CB-CE2 4.49Å; Q242-Y390 WeakPolarHBondContact O-CE2 3.34Å
243	W	55.9	Low	50.7	Low	2 Å²	2	45.6 Å²	45.6	1%	0.008	24%	0.235	C	C	.	.			trans	-150.8	160.1	176.5	66.3	-68.1	0	0	0	110.7	T173 F241 F373 G376 Q377	T173-W243 HydrophobicContact CG2-CD2 4.19Å; T173-W243 HydrophobicContact CG2-CE3 3.52Å; T173-W243 HydrophobicContact CG2-CZ3 4.02Å; T173-W243 WeakPolarHBondContact O-CH2 3.32Å; T173-W243 WeakPolarHBondContact O-CZ3 3.46Å; F241-W243 HydrophobicContact CD1-CB 3.99Å; F241-W243 HydrophobicContact CD1-CG 4.28Å; F241-W243 HydrophobicContact CE1-CB 3.97Å; W243-F373 HydrophobicContact CH2-CB 4.24Å; W243-F373 AromaticContact CH2-CD1 3.58Å; W243-F373 HydrophobicContact CH2-CD1 3.58Å; W243-F373 HydrophobicContact CH2-CE1 4.37Å; W243-F373 HydrophobicContact CH2-CG 4.32Å; W243-F373 HydrophobicContact CZ2-CB 4.38Å; W243-F373 AromaticContact CZ2-CD1 3.5Å; W243-F373 HydrophobicContact CZ2-CD1 3.5Å; W243-F373 HydrophobicContact CZ2-CE1 4.03Å; W243-F373 HydrophobicContact CZ2-CG 4.19Å; W243-G376 CarbonylContact O-C 3.56Å; W243-G376 VanDerWaalsContact O-CA 3.3Å; W243-G376 WeakPolarHBondContact O-CA 3.35Å; W243-Q377 PolarHBondContact N-O 3Å; W243-Q377 CarbonylContact O-C 3.52Å; W243-Q377 PolarHBondContact O-N 3.1Å
244	V	50	Low	49.5	Very low	9 Å²	9	46.3 Å²	46.3	6%	0.055	24%	0.237	C	C	.	.			trans	-99.2	139.9	172.7	-178.4	0	0	0	0	107.2	L129 W246 I378 L387 L471	L129-V244 HydrophobicContact CD1-CG1 3.94Å; V244-W246 HydrophobicContact CB-CD2 4.32Å; V244-W246 HydrophobicContact CB-CE3 4.47Å; V244-W246 VanDerWaalsContact O-CG 3.27Å; V244-W246 PolarHBondContact O-N 3.01Å; V244-W246 PolarHBondContact O-NE1 3.39Å; V244-W246 VanDerWaalsContact O-NE1 3.17Å; V244-I378 HydrophobicContact CG2-CD1 3.9Å; V244-I378 HydrophobicContact CG2-CG1 4.32Å; V244-L387 HydrophobicContact CG2-CD1 3.62Å; V244-L471 HydrophobicContact CG2-CD1 4.04Å
245	G	48.6	Very low	48.2	Very low	18 Å²	18	47.9 Å²	47.9	19%	0.186	26%	0.255	C	S	.	.			trans	-61.9	111.1	173	0	0	0	0	0	109.7	W374 R375 G376	G245-W374 WeakPolarHBondContact CA-O 3.33Å; G245-R375 PolarHBondContact N-O 2.97Å; G245-G376 VanDerWaalsContact N-N 3.18Å
246	W	52.4	Low	46.7	Very low	13 Å²	13	51.4 Å²	51.4	5%	0.049	27%	0.267	C	S	.	.			trans	-130.1	142.4	174.7	28.5	35.8	0	0	0	108.9	L129 S130 F133 Y169 E175 V244 L387	L129-W246 HydrophobicContact CB-CE3 3.4Å; L129-W246 VanDerWaalsContact CB-CE3 3.4Å; L129-W246 HydrophobicContact CB-CZ3 3.84Å; L129-W246 WeakPolarHBondContact O-CZ3 3.48Å; S130-W246 VanDerWaalsContact N-CE3 3.33Å; F133-W246 HydrophobicContact CB-CH2 4.49Å; F133-W246 HydrophobicContact CD1-CH2 4.45Å; F133-W246 AromaticContact CD2-CH2 3.69Å; F133-W246 HydrophobicContact CD2-CH2 3.69Å; F133-W246 AromaticContact CD2-CZ3 3.57Å; F133-W246 HydrophobicContact CD2-CZ3 3.57Å; F133-W246 AromaticContact CE2-CH2 3.94Å; F133-W246 HydrophobicContact CE2-CH2 3.94Å; F133-W246 AromaticContact CE2-CZ3 3.89Å; F133-W246 HydrophobicContact CE2-CZ3 3.89Å; F133-W246 AromaticContact CG-CH2 3.96Å; F133-W246 HydrophobicContact CG-CH2 3.96Å; F133-W246 HydrophobicContact CG-CZ3 4.22Å; F133-W246 HydrophobicContact CZ-CH2 4.44Å; Y169-W246 HydrophobicContact CE1-CZ2 4.31Å; Y169-W246 AromaticContact CE1-NE1 3.99Å; Y169-W246 WeakPolarHBondContact OH-CZ2 3.4Å; Y169-W246 PolarHBondContact OH-NE1 3.24Å; E175-W246 VanDerWaalsContact CD-C 3.45Å; E175-W246 WeakPolarHBondContact OE1-CA 3.41Å; E175-W246 WeakPolarHBondContact OE1-CB 3.3Å; E175-W246 WeakPolarHBondContact OE2-CB 3.27Å; V244-W246 HydrophobicContact CB-CD2 4.32Å; V244-W246 HydrophobicContact CB-CE3 4.47Å; V244-W246 VanDerWaalsContact O-CG 3.27Å; V244-W246 PolarHBondContact O-N 3.01Å; V244-W246 PolarHBondContact O-NE1 3.39Å; V244-W246 VanDerWaalsContact O-NE1 3.17Å; W246-L387 HydrophobicContact CH2-CD1 4.12Å; W246-L387 HydrophobicContact CZ2-CD2 4.44Å
247	G	38.6	Very low	45.4	Very low	10 Å²	10	54.3 Å²	54.3	10%	0.103	28%	0.276	C	S	.	.	S	Bend	trans	107.2	-172.7	178	0	0	0	0	0	120.1	E175 L249 Y250	E175-G247 PolarHBondContact OE2-N 2.93Å; G247-L249 VanDerWaalsContact C-N 3.29Å; G247-L249 PolarHBondContact O-N 3.38Å; G247-Y250 PolarHBondContact O-N 2.88Å
248	L	38.1	Very low	44.1	Very low	60 Å²	60	57 Å²	57	31%	0.314	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	2.4	-151.1	-100.2	156.4	0	0	0	117.6	G174 Y250	G174-L248 PolarHBondContact O-N 3.33Å; L248-Y250 PolarHBondContact O-N 3.39Å
249	L	34.5	Very low	42.7	Very low	116 Å²	116	59 Å²	59	61%	0.607	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.4	167.6	-84.9	162.4	0	0	0	113	G247 F373	G247-L249 VanDerWaalsContact C-N 3.29Å; G247-L249 PolarHBondContact O-N 3.38Å; L249-F373 HydrophobicContact CD1-CB 4.49Å
250	Y	38.5	Very low	41.5	Very low	100 Å²	100	62.7 Å²	62.7	39%	0.392	32%	0.323	S	S	.	.	S	Bend	trans	-97.5	-20.8	-160.9	-97.8	-79.3	0	0	0	118.5	G247 L248 W374	G247-Y250 PolarHBondContact O-N 2.88Å; L248-Y250 PolarHBondContact O-N 3.39Å; Y250-W374 HydrophobicContact CE2-CB 4.38Å; Y250-W374 HydrophobicContact CE2-CG 4.38Å; Y250-W374 WeakPolarHBondContact CE2-O 3.26Å; Y250-W374 VanDerWaalsContact CZ-O 3.29Å; Y250-W374 WeakPolarHBondContact OH-CA 3.37Å; Y250-W374 WeakPolarHBondContact OH-CB 3.38Å; Y250-W374 VanDerWaalsContact OH-CD2 3.29Å; Y250-W374 PolarHBondContact OH-O 2.78Å
251	E	36.7	Very low	40.3	Very low	76 Å²	76	63.7 Å²	63.7	36%	0.355	33%	0.33	S	S	.	.			trans	-118.2	96.6	165	-79.2	-172.1	176.3	0	0	107.5	E253 E254	E251-E253 PolarHBondContact O-N 3.25Å; E251-E254 HydrophobicContact CB-CB 3.95Å; E251-E254 PolarHBondContact O-N 3.35Å; E251-E254 VanDerWaalsContact O-N 3.13Å
252	P	35.3	Very low	39.1	Very low	85 Å²	85	68.5 Å²	68.5	55%	0.552	36%	0.355	S	S	*	.	S	Bend	trans	-67.4	2.6	175.8	29.3	-35.7	0	0	0	113.2	R256	P252-R256 WeakPolarHBondContact O-CB 3.21Å; P252-R256 WeakPolarHBondContact O-CG 3.22Å; P252-R256 PolarHBondContact O-NE 3.35Å; P252-R256 PolarHBondContact O-NH1 3.2Å; P252-R256 PolarHBondContact O-NH2 2.84Å
253	E	36.1	Very low	38.1	Very low	103 Å²	103	74 Å²	74	48%	0.481	38%	0.381	S	S	.	.	S	Bend	trans	-91.1	-48.4	168.9	-59.4	-68.3	108.7	0	0	111.6	E251 G255 R256	E251-E253 PolarHBondContact O-N 3.25Å; E253-G255 PolarHBondContact O-N 2.92Å; E253-G255 VanDerWaalsContact O-N 3.08Å; E253-R256 WeakPolarHBondContact O-CB 3.34Å; E253-R256 PolarHBondContact O-N 3.42Å; E253-R256 IonicContact OE1-CZ 3.11Å; E253-R256 IonicContact OE1-NE 2.78Å; E253-R256 PolarHBondContact OE1-NE 3.49Å; E253-R256 IonicContact OE1-NH2 2.64Å; E253-R256 PolarHBondContact OE1-NH2 3.28Å
254	E	36	Very low	37.1	Very low	55 Å²	55	79.9 Å²	79.9	26%	0.257	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	111.7	173.6	-108.6	-160.9	168.5	0	0	109.3	R48 R128 E251	R48-E254 IonicContact CZ-OE1 3.59Å; R48-E254 IonicContact NH1-OE1 3.57Å; R48-E254 PolarHBondContact NH1-OE1 3.32Å; R48-E254 IonicContact NH2-OE1 3.39Å; R48-E254 PolarHBondContact NH2-OE1 3.24Å; R48-E254 IonicContact NH2-OE2 2.78Å; R48-E254 PolarHBondContact NH2-OE2 2.82Å; R128-E254 IonicContact CZ-OE2 2.72Å; R128-E254 IonicContact NH2-OE2 3.21Å; R128-E254 PolarHBondContact NH2-OE2 3.11Å; E251-E254 HydrophobicContact CB-CB 3.95Å; E251-E254 PolarHBondContact O-N 3.35Å; E251-E254 VanDerWaalsContact O-N 3.13Å
255	G	33.1	Very low	36.3	Very low	40 Å²	40	83.9 Å²	83.9	41%	0.412	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	6.7	-177.6	0	0	0	0	0	115.4	E253 E257 I258 A259	E253-G255 PolarHBondContact O-N 2.92Å; E253-G255 VanDerWaalsContact O-N 3.08Å; G255-E257 PolarHBondContact O-N 2.98Å; G255-I258 PolarHBondContact O-N 2.93Å; G255-A259 PolarHBondContact O-N 3.09Å
256	R	33.3	Very low	35.5	Very low	114 Å²	114	93 Å²	93	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-18.9	170.9	-152.5	-168.7	-85.5	-75.2	12.7	112.4	P252 E253 K260	P252-R256 WeakPolarHBondContact O-CB 3.21Å; P252-R256 WeakPolarHBondContact O-CG 3.22Å; P252-R256 PolarHBondContact O-NE 3.35Å; P252-R256 PolarHBondContact O-NH1 3.2Å; P252-R256 PolarHBondContact O-NH2 2.84Å; E253-R256 WeakPolarHBondContact O-CB 3.34Å; E253-R256 PolarHBondContact O-N 3.42Å; E253-R256 IonicContact OE1-CZ 3.11Å; E253-R256 IonicContact OE1-NE 2.78Å; E253-R256 PolarHBondContact OE1-NE 3.49Å; E253-R256 IonicContact OE1-NH2 2.64Å; E253-R256 PolarHBondContact OE1-NH2 3.28Å; R256-K260 WeakPolarHBondContact O-CG 3.38Å; R256-K260 PolarHBondContact O-N 3.36Å
257	E	35.2	Very low	34.6	Very low	126 Å²	126	101.3 Å²	101.3	59%	0.589	51%	0.505	S	S	*	.	H	α-helix	trans	-71.9	-39.8	170.1	-56.6	-158	141.5	0	0	113.4	G255 A259 K260 I261	G255-E257 PolarHBondContact O-N 2.98Å; E257-A259 VanDerWaalsContact C-N 3.35Å; E257-A259 PolarHBondContact O-N 3.3Å; E257-K260 CarbonylContact O-C 3.55Å; E257-K260 WeakPolarHBondContact O-CA 3.41Å; E257-K260 WeakPolarHBondContact O-CB 3.3Å; E257-K260 PolarHBondContact O-N 3.35Å; E257-K260 VanDerWaalsContact O-N 3.09Å; E257-I261 VanDerWaalsContact O-CG1 3.32Å; E257-I261 WeakPolarHBondContact O-CG1 3.36Å; E257-I261 PolarHBondContact O-N 2.97Å
258	I	33.5	Very low	34.3	Very low	100 Å²	100	110.1 Å²	110.1	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-41	178.6	-59.9	173.9	0	0	0	109.9	G255 K260 I261 L262	G255-I258 PolarHBondContact O-N 2.93Å; I258-K260 VanDerWaalsContact C-N 3.29Å; I258-K260 PolarHBondContact O-N 3.47Å; I258-I261 PolarHBondContact O-N 3.39Å; I258-I261 VanDerWaalsContact O-N 3.16Å; I258-L262 HydrophobicContact CG2-CD1 4.07Å; I258-L262 HydrophobicContact CG2-CG 4.41Å; I258-L262 WeakPolarHBondContact O-CG 3.48Å; I258-L262 PolarHBondContact O-N 2.91Å
259	A	32.8	Very low	34	Very low	50 Å²	50	117.2 Å²	117.2	41%	0.413	57%	0.569	S	S	.	*	H	α-helix	trans	-60.4	-37.6	171.8	0	0	0	0	0	112.4	G255 E257 H263	G255-A259 PolarHBondContact O-N 3.09Å; E257-A259 VanDerWaalsContact C-N 3.35Å; E257-A259 PolarHBondContact O-N 3.3Å; A259-H263 WeakPolarHBondContact O-CB 3.48Å; A259-H263 PolarHBondContact O-CD2 3.31Å; A259-H263 PolarHBondContact O-N 3.49Å
260	K	33.1	Very low	33.9	Very low	134 Å²	134	115.4 Å²	115.4	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-68.2	-39.9	172.7	-75.1	172.3	179.5	174.8	0	112	R256 E257 I258 H263 L264	R256-K260 WeakPolarHBondContact O-CG 3.38Å; R256-K260 PolarHBondContact O-N 3.36Å; E257-K260 CarbonylContact O-C 3.55Å; E257-K260 WeakPolarHBondContact O-CA 3.41Å; E257-K260 WeakPolarHBondContact O-CB 3.3Å; E257-K260 PolarHBondContact O-N 3.35Å; E257-K260 VanDerWaalsContact O-N 3.09Å; I258-K260 VanDerWaalsContact C-N 3.29Å; I258-K260 PolarHBondContact O-N 3.47Å; K260-H263 CarbonylContact O-C 3.58Å; K260-H263 PolarHBondContact O-N 2.92Å; K260-L264 WeakPolarHBondContact O-CB 3.39Å; K260-L264 VanDerWaalsContact O-CG 3.25Å; K260-L264 WeakPolarHBondContact O-CG 3.44Å; K260-L264 PolarHBondContact O-N 2.88Å
261	I	32.4	Very low	33.6	Very low	100 Å²	100	116.2 Å²	116.2	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-64.7	-46.3	177.6	-70.1	162.3	0	0	0	110.8	E257 I258 H263 L264 S265	E257-I261 VanDerWaalsContact O-CG1 3.32Å; E257-I261 WeakPolarHBondContact O-CG1 3.36Å; E257-I261 PolarHBondContact O-N 2.97Å; I258-I261 PolarHBondContact O-N 3.39Å; I258-I261 VanDerWaalsContact O-N 3.16Å; I261-H263 VanDerWaalsContact C-N 3.29Å; I261-H263 PolarHBondContact O-N 2.87Å; I261-L264 WeakPolarHBondContact O-CB 3.38Å; I261-L264 PolarHBondContact O-N 3.27Å; I261-L264 VanDerWaalsContact O-N 3.12Å; I261-S265 PolarHBondContact O-N 3.36Å; I261-S265 PolarHBondContact O-OG 3.11Å
262	L	31.1	Very low	33.5	Very low	106 Å²	106	121.6 Å²	121.6	56%	0.555	61%	0.611	S	S	*	*	H	α-helix	trans	-66.1	-28.8	175.8	-67.6	172.6	0	0	0	112.8	I258	I258-L262 HydrophobicContact CG2-CD1 4.07Å; I258-L262 HydrophobicContact CG2-CG 4.41Å; I258-L262 WeakPolarHBondContact O-CG 3.48Å; I258-L262 PolarHBondContact O-N 2.91Å
263	H	35.8	Very low	33.6	Very low	138 Å²	138	126.1 Å²	126.1	64%	0.639	62%	0.624	S	S	*	*	H	α-helix	trans	-81.8	-24.3	170.7	-71.5	-21.6	0	0	0	114.1	A259 K260 I261 S265 R266	A259-H263 WeakPolarHBondContact O-CB 3.48Å; A259-H263 PolarHBondContact O-CD2 3.31Å; A259-H263 PolarHBondContact O-N 3.49Å; K260-H263 CarbonylContact O-C 3.58Å; K260-H263 PolarHBondContact O-N 2.92Å; I261-H263 VanDerWaalsContact C-N 3.29Å; I261-H263 PolarHBondContact O-N 2.87Å; H263-S265 VanDerWaalsContact C-N 3.33Å; H263-R266 PolarHBondContact O-N 2.94Å
264	L	33.5	Very low	33.6	Very low	125 Å²	125	126.4 Å²	126.4	65%	0.654	63%	0.633	S	S	*	*	H	α-helix	trans	-69.4	-30.6	168.5	-78.6	162.5	0	0	0	111.9	K260 I261 R266 K267	K260-L264 WeakPolarHBondContact O-CB 3.39Å; K260-L264 VanDerWaalsContact O-CG 3.25Å; K260-L264 WeakPolarHBondContact O-CG 3.44Å; K260-L264 PolarHBondContact O-N 2.88Å; I261-L264 WeakPolarHBondContact O-CB 3.38Å; I261-L264 PolarHBondContact O-N 3.27Å; I261-L264 VanDerWaalsContact O-N 3.12Å; L264-R266 PolarHBondContact O-N 3.47Å; L264-K267 PolarHBondContact O-N 3.37Å; L264-K267 VanDerWaalsContact O-N 3.12Å
265	S	34	Very low	33.4	Very low	92 Å²	92	131 Å²	131	64%	0.643	66%	0.659	S	S	*	*	S	Bend	trans	-61	-27.7	169.7	-59.4	0	0	0	0	112.5	I261 H263 K267	I261-S265 PolarHBondContact O-N 3.36Å; I261-S265 PolarHBondContact O-OG 3.11Å; H263-S265 VanDerWaalsContact C-N 3.33Å; S265-K267 PolarHBondContact O-N 3.3Å
266	R	31.8	Very low	33.7	Very low	209 Å²	209	138 Å²	138	79%	0.789	68%	0.678	S	S	*	*	S	Bend	trans	-78.6	58	162.2	-77	-172.1	172.3	176.9	-1.1	111.4	H263 L264 K268	H263-R266 PolarHBondContact O-N 2.94Å; L264-R266 PolarHBondContact O-N 3.47Å; R266-K268 PolarHBondContact O-N 2.88Å
267	K	33.3	Very low	33.8	Very low	188 Å²	188	137.2 Å²	137.2	82%	0.817	69%	0.69	S	S	*	*			trans	-50.7	116.5	156.2	-88	-176.2	177.8	173.8	0	107.2	L264 S265 K269	L264-K267 PolarHBondContact O-N 3.37Å; L264-K267 VanDerWaalsContact O-N 3.12Å; S265-K267 PolarHBondContact O-N 3.3Å; K267-K269 PolarHBondContact O-N 3.19Å; K267-K269 VanDerWaalsContact O-N 3.08Å
268	K	32.3	Very low	33.8	Very low	196 Å²	196	138.1 Å²	138.1	85%	0.852	69%	0.694	S	S	*	*			trans	-48.8	121	174.4	-69.3	172	178	172.1	0	107.8	R266 A270	R266-K268 PolarHBondContact O-N 2.88Å; K268-A270 PolarHBondContact O-N 3.26Å
269	K	32.5	Very low	34	Very low	209 Å²	209	141.2 Å²	141.2	91%	0.909	70%	0.704	S	S	*	*			trans	-58.6	96.8	153	-83.3	-176.2	176	176.5	0	104.6	K267	K267-K269 PolarHBondContact O-N 3.19Å; K267-K269 VanDerWaalsContact O-N 3.08Å
270	A	30.9	Very low	34.2	Very low	77 Å²	77	142.7 Å²	142.7	64%	0.636	71%	0.712	S	S	*	*			trans	-55.7	131.3	-177.4	0	0	0	0	0	107.4	K268 K272	K268-A270 PolarHBondContact O-N 3.26Å; A270-K272 PolarHBondContact O-N 3.43Å
271	P	33.5	Very low	34.4	Very low	117 Å²	117	145.2 Å²	145.2	76%	0.76	72%	0.722	S	S	*	*			trans	-59.4	114	176.3	25.2	-32.3	0	0	0	106.6	Q273	P271-Q273 PolarHBondContact O-N 3.3Å
272	K	35	Very low	34.6	Very low	190 Å²	190	149.9 Å²	149.9	83%	0.826	73%	0.734	S	S	*	*			trans	-54.9	115.1	175.2	-79.7	-174.2	173.6	-177.6	0	106.6	A270 V274	A270-K272 PolarHBondContact O-N 3.43Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 2.92Å
273	Q	35.7	Very low	34.8	Very low	179 Å²	179	156 Å²	156	84%	0.836	75%	0.749	S	S	*	*			trans	-63.7	98.3	168.8	-77.9	-179.5	-43.2	0	0	106.8	P271 D275	P271-Q273 PolarHBondContact O-N 3.3Å; Q273-D275 VanDerWaalsContact C-N 3.28Å; Q273-D275 PolarHBondContact O-N 3Å; Q273-D275 VanDerWaalsContact O-N 3.11Å
274	V	36.4	Very low	34.8	Very low	110 Å²	110	152.6 Å²	152.6	67%	0.667	75%	0.751	S	S	*	*			trans	-78.6	89.7	168	176.5	0	0	0	0	105.6	K272 K276	K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 2.92Å; V274-K276 VanDerWaalsContact C-N 3.32Å; V274-K276 HydrophobicContact CG1-CD 4.1Å; V274-K276 HydrophobicContact CG1-CG 3.98Å; V274-K276 PolarHBondContact O-N 3.41Å
275	D	33.5	Very low	35	Very low	150 Å²	150	157.9 Å²	157.9	80%	0.802	76%	0.762	S	S	*	*			trans	-61.1	98.1	167.9	-96.2	-41.8	0	0	0	108.8	Q273	Q273-D275 VanDerWaalsContact C-N 3.28Å; Q273-D275 PolarHBondContact O-N 3Å; Q273-D275 VanDerWaalsContact O-N 3.11Å
276	K	37.5	Very low	35.1	Very low	189 Å²	189	161.2 Å²	161.2	82%	0.822	77%	0.765	S	S	*	*			trans	-117.9	81.3	162.6	-81.1	-176.5	177.1	-174.6	0	107.7	V274	V274-K276 VanDerWaalsContact C-N 3.32Å; V274-K276 HydrophobicContact CG1-CD 4.1Å; V274-K276 HydrophobicContact CG1-CG 3.98Å; V274-K276 PolarHBondContact O-N 3.41Å
277	S	35.5	Very low	35.5	Very low	97 Å²	97	161.8 Å²	161.8	68%	0.678	77%	0.767	S	S	*	*			trans	-58.7	166.4	162.6	52.3	0	0	0	0	110.9
278	E	36.2	Very low	35.6	Very low	144 Å²	144	160.7 Å²	160.7	67%	0.673	76%	0.763	S	S	*	*			trans	76.8	110.3	170.7	-58.3	-135.9	105.6	0	0	119.8
279	K	36.7	Very low	35.8	Very low	166 Å²	166	156.8 Å²	156.8	72%	0.722	75%	0.751	S	S	*	*			trans	72.8	136.6	139.7	-58.8	158.3	-175.8	151.8	0	118.8
280	S	37.2	Very low	35.8	Very low	81 Å²	81	152.5 Å²	152.5	57%	0.566	75%	0.746	S	S	*	*			cis	-166.8	150.8	-22.6	75.9	0	0	0	0	110.7
281	K	38.5	Very low	36	Very low	186 Å²	186	153.1 Å²	153.1	81%	0.809	75%	0.745	S	S	*	*			trans	68.5	150.9	159.6	-59.9	157	-169.7	161.3	0	114.4
282	R	36.9	Very low	36.1	Very low	199 Å²	199	155.8 Å²	155.8	75%	0.751	75%	0.748	S	S	*	*			cis	-161.2	136.7	9.2	-134.3	170.5	-175.3	-175.2	1.9	110.2
283	R	34.1	Very low	36.2	Very low	235 Å²	235	151.5 Å²	151.5	89%	0.887	74%	0.742	S	S	*	*			trans	50.3	140	151.4	-63.2	171.1	175.7	-178.3	-4.4	119.6
284	G	35.3	Very low	36.2	Very low	65 Å²	65	149.9 Å²	149.9	67%	0.67	74%	0.739	S	S	*	*			cis	-174.9	152.2	-1.1	0	0	0	0	0	111
285	R	38.2	Very low	36.3	Very low	236 Å²	236	149.6 Å²	149.6	89%	0.891	74%	0.742	S	S	*	*				57.7	131.3	107.2	-73.8	-174.2	172.7	-172.7	-1.5	115.1
286	K	36.4	Very low	36.4	Very low	162 Å²	162	147.6 Å²	147.6	70%	0.704	74%	0.74	S	S	*	*			cis	-157.5	144.7	15.3	-114.6	-179.5	177.4	-176.4	0	108.6
287	R	39.2	Very low	36.3	Very low	222 Å²	222	146.4 Å²	146.4	84%	0.838	74%	0.737	S	S	*	*				53.4	141.5	97.7	-74.7	-166.8	-179.4	-174.6	0.1	116.6
288	K	36.7	Very low	36.3	Very low	165 Å²	165	148.8 Å²	148.8	72%	0.717	74%	0.741	S	S	*	*			cis	-177.9	170.2	-13.6	-157.1	-174.5	167.8	-101.2	0	108.7
289	N	35.7	Very low	36.2	Very low	114 Å²	114	147.5 Å²	147.5	61%	0.61	74%	0.743	S	S	*	*			trans	77.2	132.3	165.9	-63	1	0	0	0	114.3
290	C	31.9	Very low	36.2	Very low	118 Å²	118	147 Å²	147	80%	0.797	75%	0.748	S	S	*	*				77.3	134.3	57.4	-60	0	0	0	0	112.3
291	S	36	Very low	35.9	Very low	90 Å²	90	147.8 Å²	147.8	63%	0.629	75%	0.753	S	S	*	*			cis	-161.9	167.4	3.9	44.8	0	0	0	0	114.3
292	E	34.8	Very low	35.7	Very low	173 Å²	173	145.8 Å²	145.8	81%	0.808	75%	0.751	S	S	*	*			trans	72.6	163.3	147.4	-74.4	148.4	153.9	0	0	122.7
293	S	37.4	Very low	35.7	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	76%	0.756	S	S	*	*			trans	76.1	92.7	165.3	-69.7	0	0	0	0	122.3
294	D	36.6	Very low	35.6	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	75%	0.753	S	S	*	*				72.7	146.6	114	-58.8	-43.2	0	0	0	125
295	S	37.1	Very low	35.8	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	75%	0.748	S	S	*	*			trans	85.7	125.1	148.4	72.7	0	0	0	0	120.6
296	S	36.9	Very low	35.7	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	74%	0.741	S	S	*	*			trans	48.3	154.9	140.5	53.3	0	0	0	0	122.2
297	E	34.4	Very low	35.7	Very low	164 Å²	164	137.1 Å²	137.1	77%	0.766	75%	0.746	S	S	*	*			cis	179.6	160.6	-25.9	-156.7	-178.2	171.5	0	0	104.6
298	L	35.9	Very low	35.6	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	74%	0.744	S	S	*	*			trans	65.2	165.8	166.2	-55.2	173.7	0	0	0	118.1
299	V	35.4	Very low	35.4	Very low	117 Å²	117	129.2 Å²	129.2	71%	0.709	74%	0.739	S	S	*	*				-163	166.3	-54.4	102.3	0	0	0	0	109.9
300	L	35.5	Very low	35.2	Very low	157 Å²	157	132.4 Å²	132.4	82%	0.822	75%	0.75	S	S	*	*			trans	91.8	140.3	173.4	-58.1	-171.6	0	0	0	121
301	S	32.1	Very low	35.1	Very low	96 Å²	96	131.9 Å²	131.9	67%	0.671	75%	0.747	S	S	*	*			trans	-71.6	-175	162.5	54.4	0	0	0	0	112
302	D	33.2	Very low	34.9	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	75%	0.75	S	S	*	*			cis	-156.4	-178	14.9	-142.1	-38	0	0	0	110.9
303	E	37	Very low	34.8	Very low	184 Å²	184	133 Å²	133	86%	0.86	75%	0.75	S	S	*	*			trans	140.8	146.1	150.3	-77.2	-173.8	172.1	0	0	116.4
304	N	31.8	Very low	34.5	Very low	151 Å²	151	133.6 Å²	133.6	81%	0.807	75%	0.754	S	S	*	*			trans	-153.3	172.9	-178.4	-150.2	30.9	0	0	0	105.2
305	P	40.2	Very low	34.4	Very low	87 Å²	87	132.9 Å²	132.9	57%	0.565	76%	0.758	S	S	*	*			cis	-147.3	-166.6	12.7	46.5	-25.6	0	0	0	117.1
306	D	35	Very low	34.1	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	75%	0.751	S	S	*	*			trans	76.1	142	143.9	-61.7	-25.7	0	0	0	126.5
307	D	37.3	Very low	34	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	76%	0.755	S	S	*	*			trans	94.1	145.4	144.6	-83.1	-29.7	0	0	0	127.8
308	D	36.6	Very low	33.9	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	75%	0.752	S	S	*	*			trans	78.4	95.3	156.7	-83.2	-29.5	0	0	0	126.8
309	A	33.1	Very low	33.8	Very low	74 Å²	74	131.9 Å²	131.9	61%	0.612	74%	0.737	S	S	*	*				70.1	111.8	108.5	0	0	0	0	0	126.7
310	Q	31.9	Very low	33.7	Very low	181 Å²	181	135.2 Å²	135.2	85%	0.846	74%	0.737	S	S	*	*				82.4	135.8	125.7	-65.5	-172.3	35.4	0	0	126.4
311	S	29.5	Very low	33.7	Very low	107 Å²	107	137 Å²	137	75%	0.748	73%	0.733	S	S	*	*			trans	80.1	156.7	149.4	79.9	0	0	0	0	119.4
312	V	31.9	Very low	33.7	Very low	112 Å²	112	137.9 Å²	137.9	68%	0.679	73%	0.73	S	S	*	*			cis	-148.5	167.6	10	-146.2	0	0	0	0	113.1
313	H	33.2	Very low	33.7	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.806	73%	0.73	S	S	*	*			trans	87.4	141.9	151	-69.5	-55.7	0	0	0	123.6
314	S	30.2	Very low	33.5	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	73%	0.731	S	S	*	*			trans	-162.2	148.6	169.8	-49.4	0	0	0	0	110.3
315	P	34.3	Very low	33.5	Very low	129 Å²	129	135.4 Å²	135.4	84%	0.838	73%	0.731	S	S	*	*			trans	-145.4	174.3	139.5	36.7	-21.2	0	0	0	113
316	A	30.7	Very low	33.3	Very low	72 Å²	72	135.7 Å²	135.7	60%	0.595	73%	0.733	S	S	*	*			cis	-175.1	169.6	-31.9	0	0	0	0	0	108.6
317	Y	34.2	Very low	33.2	Very low	215 Å²	215	136.1 Å²	136.1	84%	0.843	74%	0.735	S	S	*	*			trans	66.3	160.6	170.3	-61.6	-77.2	0	0	0	117.2
318	D	32.7	Very low	33	Very low	130 Å²	130	134.3 Å²	134.3	70%	0.695	73%	0.73	S	S	*	*			cis	-173.2	-177.1	-42.1	-132.8	-20.2	0	0	0	107.1
319	D	34.5	Very low	32.7	Very low	84 Å²	84	135 Å²	135	45%	0.449	73%	0.728	S	S	.	*			cis	-160.8	147.7	-5	-159.5	-22.9	0	0	0	107.9
320	R	33.8	Very low	32.5	Very low	188 Å²	188	137.8 Å²	137.8	71%	0.709	73%	0.732	S	S	*	*			trans	62.5	164.3	164	-71.6	147.3	-145.8	-165.5	16	117.3
321	R	34.3	Very low	32.3	Very low	195 Å²	195	133.3 Å²	133.3	74%	0.736	72%	0.721	S	S	*	*			cis	-166.7	177.8	-13.1	-114.4	-172.2	-61.4	162.2	2.5	109.5
322	D	33.3	Very low	32.1	Very low	114 Å²	114	135.5 Å²	135.5	61%	0.61	73%	0.725	S	S	*	*			cis	-145.3	-177.8	-1.1	-144.4	-14.5	0	0	0	111.9
323	L	32.7	Very low	31.9	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	73%	0.727	S	S	*	*			trans	-67.4	149.3	170.2	-66.5	143.1	0	0	0	115.4
324	S	33.6	Very low	31.5	Very low	126 Å²	126	133.7 Å²	133.7	88%	0.881	73%	0.725	S	S	*	*				-170.7	156.5	105.9	24	0	0	0	0	111.4
325	N	30	Very low	31.4	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	73%	0.728	S	S	*	*			trans	-134.1	-164	-167.8	-159.6	23.2	0	0	0	110.9
326	P	37.6	Very low	31.1	Very low	93 Å²	93	138.8 Å²	138.8	60%	0.604	72%	0.722	S	S	*	*				-93.6	-173.1	-121.2	41.5	-25.6	0	0	0	113.7
327	D	32.3	Very low	30.9	Very low	148 Å²	148	141.7 Å²	141.7	79%	0.791	74%	0.735	S	S	*	*				-170.9	155.3	119	-113	-24.7	0	0	0	115.9
328	V	33.5	Very low	30.7	Very low	115 Å²	115	140.2 Å²	140.2	70%	0.697	73%	0.733	S	S	*	*			trans	68.8	130.6	151	172.2	0	0	0	0	121.5
329	H	30.7	Very low	30.4	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.745	74%	0.74	S	S	*	*			trans	0.1	155.1	147	-54.8	-98.3	0	0	0	120.1
330	D	28.8	Very low	30.2	Very low	133 Å²	133	141.3 Å²	141.3	71%	0.711	76%	0.757	S	S	*	*			cis	-162.8	169.6	30.4	-144.8	-44.8	0	0	0	113.6
331	S	27.3	Very low	29.8	Very low	88 Å²	88	141.4 Å²	141.4	62%	0.615	77%	0.766	S	S	*	*			trans	63.5	124	146.1	-64.2	0	0	0	0	122.9
332	D	25.3	Very low	29.7	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	77%	0.771	S	S	*	*			trans	69.1	172.6	138.8	-81.4	-24.9	0	0	0	123
333	L	27.9	Very low	29.4	Very low	138 Å²	138	141.3 Å²	141.3	72%	0.723	78%	0.783	S	S	*	*			trans	82.9	90.3	164.8	-53.1	-175.1	0	0	0	119.2
334	S	24.7	Very low	29.4	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	79%	0.785	S	S	*	*			trans	-2.5	126.3	133.9	58.2	0	0	0	0	118
335	F	27.5	Very low	29.3	Very low	196 Å²	196	145.3 Å²	145.3	86%	0.86	79%	0.786	S	S	*	*			trans	-135.5	127.8	160.8	-100.9	-84.4	0	0	0	113.8
336	Q	27.8	Very low	29.3	Very low	156 Å²	156	143.3 Å²	143.3	73%	0.729	78%	0.781	S	S	*	*			trans	-74.5	150.9	162.2	-71.7	-176.6	-17.5	0	0	110.1	K338	Q336-K338 PolarHBondContact O-N 3.28Å
337	P	27.2	Very low	28.9	Very low	133 Å²	133	146 Å²	146	86%	0.864	79%	0.79	S	S	*	*			trans	-69.7	115.6	171.6	29.5	-33.4	0	0	0	110.3
338	K	28.9	Very low	28.7	Very low	184 Å²	184	146.2 Å²	146.2	80%	0.8	79%	0.791	S	S	*	*			trans	-116	129.3	162.8	-80.2	-172.3	174.8	179.2	0	109.6	Q336	Q336-K338 PolarHBondContact O-N 3.28Å
339	A	26.1	Very low	28.5	Very low	101 Å²	101	148.8 Å²	148.8	84%	0.835	80%	0.801	S	S	*	*			trans	-71.6	140	174.2	0	0	0	0	0	110.6
340	V	30.3	Very low	28.3	Very low	135 Å²	135	146.9 Å²	146.9	82%	0.818	81%	0.805	S	S	*	*			trans	-135.7	116.2	160.9	178.7	0	0	0	0	106.9
341	E	26.3	Very low	28.2	Very low	190 Å²	190	146.5 Å²	146.5	89%	0.888	81%	0.807	S	S	*	*			trans	-81	128.9	169.4	-62.4	175.2	136.6	0	0	109.2
342	S	31.6	Very low	28.7	Very low	120 Å²	120	151.1 Å²	151.1	84%	0.839	82%	0.819	S	S	*	*			trans	-158.2	131.8	154.3	-106.4	0	0	0	0	111.2
343	E	28.4	Very low	29.1	Very low	188 Å²	188	150.8 Å²	150.8	88%	0.879	81%	0.813	S	S	*	*			trans	-82.9	133.1	179.7	-51.8	173.5	129.6	0	0	109.9
344	L	31.6	Very low	29.7	Very low	157 Å²	157	149.4 Å²	149.4	82%	0.822	80%	0.804	S	S	*	*			trans	170.6	102.6	146.5	-97.7	152.5	0	0	0	110.4
345	F	31.5	Very low	31	Very low	204 Å²	204	147 Å²	147	90%	0.895	79%	0.785	S	S	*	*			trans	177.5	142.2	131.2	-88.7	-58.2	0	0	0	109.1
346	P	30.8	Very low	31.8	Very low	107 Å²	107	140.5 Å²	140.5	70%	0.695	76%	0.759	S	S	*	*			trans	-94.4	153.3	-164.5	36.2	-36.1	0	0	0	115.5
347	D	27.9	Very low	32.9	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	74%	0.736	S	S	*	*			trans	29.9	95.8	151.2	-59.6	-1.7	0	0	0	118.5
348	N	29.5	Very low	34.3	Very low	152 Å²	152	130.9 Å²	130.9	81%	0.813	71%	0.705	S	S	*	*			trans	-147.3	74.4	156.2	-117.9	-35.9	0	0	0	110.8	C350	N348-C350 VanDerWaalsContact C-N 3.31Å; N348-C350 PolarHBondContact O-N 2.97Å
349	D	28	Very low	35.5	Very low	170 Å²	170	122.8 Å²	122.8	91%	0.909	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	72.4	-178	-82	-31.3	0	0	0	113.4
350	C	26.2	Very low	36.7	Very low	121 Å²	121	120.9 Å²	120.9	82%	0.818	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.9	10	169.4	-137.2	0	0	0	0	117.7	N348	N348-C350 VanDerWaalsContact C-N 3.31Å; N348-C350 PolarHBondContact O-N 2.97Å
351	T	28.5	Very low	37.8	Very low	125 Å²	125	119.8 Å²	119.8	77%	0.767	63%	0.632	S	S	*	*	S	Bend	trans	-138.5	142.8	179	49	0	0	0	0	113.2
352	Q	36.4	Very low	39.3	Very low	185 Å²	185	113 Å²	113	86%	0.864	60%	0.599	S	S	*	*			trans	74.5	27.7	171.6	-52.6	-172.7	-2.8	0	0	119.1	M354	Q352-M354 PolarHBondContact O-N 2.95Å; Q352-M354 VanDerWaalsContact O-N 3.16Å
353	E	34	Very low	40.2	Very low	145 Å²	145	108.6 Å²	108.6	68%	0.678	57%	0.566	S	S	*	*			trans	-59.5	122.7	158.8	-95.9	-145.2	168.8	0	0	110.5	S357	E353-S357 PolarHBondContact OE2-OG 2.85Å
354	M	39.9	Very low	41.1	Very low	109 Å²	109	104.2 Å²	104.2	54%	0.537	56%	0.557	S	S	.	*			trans	-59.6	153.1	-165.9	-66.5	175.2	75.8	0	0	114.7	Q352 L356 S357	Q352-M354 PolarHBondContact O-N 2.95Å; Q352-M354 VanDerWaalsContact O-N 3.16Å; M354-L356 HydrophobicContact CB-CB 3.75Å; M354-L356 HydrophobicContact CE-CB 4.48Å; M354-L356 PolarHBondContact O-N 3.05Å; M354-L356 VanDerWaalsContact O-N 3.08Å; M354-L356 HydrophobicContact SD-CD2 4.35Å; M354-S357 PolarHBondContact O-N 2.96Å; M354-S357 VanDerWaalsContact O-N 3.07Å
355	P	52.8	Low	41.9	Very low	58 Å²	58	106.8 Å²	106.8	38%	0.377	56%	0.555	S	S	.	*	H	α-helix	trans	-50	-34.1	169.3	-26.1	34.2	0	0	0	113.6	S357 Y358 F359	P355-S357 VanDerWaalsContact C-N 3.32Å; P355-S357 PolarHBondContact O-N 3.3Å; P355-Y358 PolarHBondContact O-N 3.16Å; P355-Y358 VanDerWaalsContact O-N 3.08Å; P355-F359 HydrophobicContact CB-CD2 4.01Å; P355-F359 HydrophobicContact CB-CE2 3.77Å; P355-F359 WeakPolarHBondContact O-CD2 3.39Å; P355-F359 PolarHBondContact O-N 2.93Å
356	L	44.9	Very low	42.8	Very low	61 Å²	61	99.6 Å²	99.6	32%	0.319	53%	0.526	S	S	.	.	H	α-helix	trans	-34.4	-58.2	168.2	-172.7	86.6	0	0	0	113.2	V182 L186 M354 Y358 F359 T360	V182-L356 HydrophobicContact CG1-CD1 3.33Å; L186-L356 HydrophobicContact CD1-CD1 3.84Å; L186-L356 HydrophobicContact CD2-CB 4.47Å; L186-L356 HydrophobicContact CG-CD1 4.46Å; M354-L356 HydrophobicContact CB-CB 3.75Å; M354-L356 HydrophobicContact CE-CB 4.48Å; M354-L356 PolarHBondContact O-N 3.05Å; M354-L356 VanDerWaalsContact O-N 3.08Å; M354-L356 HydrophobicContact SD-CD2 4.35Å; L356-Y358 VanDerWaalsContact C-N 3.28Å; L356-Y358 PolarHBondContact O-N 3.43Å; L356-F359 PolarHBondContact O-N 3.25Å; L356-T360 WeakPolarHBondContact O-CB 3.34Å; L356-T360 PolarHBondContact O-N 3.27Å; L356-T360 PolarHBondContact O-OG1 3.35Å; L356-T360 VanDerWaalsContact O-OG1 3.04Å
357	S	49.9	Very low	43.4	Very low	34 Å²	34	105.8 Å²	105.8	24%	0.238	54%	0.535	C	S	.	.	H	α-helix	trans	-68.7	-28.6	-171.4	124.1	0	0	0	0	112.1	E353 M354 P355 K361	E353-S357 PolarHBondContact OE2-OG 2.85Å; M354-S357 PolarHBondContact O-N 2.96Å; M354-S357 VanDerWaalsContact O-N 3.07Å; P355-S357 VanDerWaalsContact C-N 3.32Å; P355-S357 PolarHBondContact O-N 3.3Å; S357-K361 WeakPolarHBondContact O-CB 3.48Å; S357-K361 WeakPolarHBondContact O-CD 3.44Å; S357-K361 WeakPolarHBondContact O-CE 3.34Å; S357-K361 WeakPolarHBondContact O-CG 3.4Å; S357-K361 PolarHBondContact O-N 2.91Å; S357-K361 PolarHBondContact OG-NZ 3.2Å
358	Y	57.2	Low	44.2	Very low	53 Å²	53	102.1 Å²	102.1	21%	0.208	52%	0.521	C	S	.	.	H	α-helix	trans	-75.7	-53.9	176.2	-179.8	-97.3	0	0	0	111.4	R227 E228 P355 L356 K361 K362	R227-Y358 HydrophobicContact CB-CD1 4.35Å; R227-Y358 HydrophobicContact CB-CE1 3.99Å; E228-Y358 WeakPolarHBondContact CG-OH 3.23Å; P355-Y358 PolarHBondContact O-N 3.16Å; P355-Y358 VanDerWaalsContact O-N 3.08Å; L356-Y358 VanDerWaalsContact C-N 3.28Å; L356-Y358 PolarHBondContact O-N 3.43Å; Y358-K361 PolarHBondContact O-N 3Å; Y358-K362 HydrophobicContact CE1-CD 3.8Å; Y358-K362 PolarHBondContact O-N 3.36Å; Y358-K362 PolarHBondContact OH-NZ 3.43Å
359	F	54.7	Low	44.9	Very low	14 Å²	14	95 Å²	95	6%	0.061	48%	0.483	C	S	.	.	H	α-helix	trans	-63.5	-46.9	-176.7	-66.1	-52	0	0	0	111.9	A189 E230 W231 M234 P355 L356 K361 K362 L363	A189-F359 HydrophobicContact CB-CE2 4.07Å; E230-F359 HydrophobicContact CB-CZ 4.44Å; W231-F359 HydrophobicContact CB-CE1 4.09Å; W231-F359 HydrophobicContact CD2-CD1 4.44Å; W231-F359 AromaticContact CE3-CD1 3.57Å; W231-F359 HydrophobicContact CE3-CD1 3.57Å; W231-F359 AromaticContact CE3-CE1 4Å; W231-F359 HydrophobicContact CE3-CE1 4Å; W231-F359 HydrophobicContact CZ3-CD1 4.25Å; M234-F359 HydrophobicContact SD-CE1 4.23Å; M234-F359 HydrophobicContact SD-CZ 4.25Å; P355-F359 HydrophobicContact CB-CD2 4.01Å; P355-F359 HydrophobicContact CB-CE2 3.77Å; P355-F359 WeakPolarHBondContact O-CD2 3.39Å; P355-F359 PolarHBondContact O-N 2.93Å; L356-F359 PolarHBondContact O-N 3.25Å; F359-K361 VanDerWaalsContact C-N 3.3Å; F359-K361 PolarHBondContact O-N 3.49Å; F359-K362 PolarHBondContact O-N 2.86Å; F359-L363 HydrophobicContact CB-CD1 4.32Å; F359-L363 WeakPolarHBondContact O-CB 3.35Å; F359-L363 WeakPolarHBondContact O-CD1 3.38Å; F359-L363 PolarHBondContact O-N 2.79Å
360	T	49.7	Very low	45.7	Very low	61 Å²	61	88.4 Å²	88.4	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-36	177.7	-51.2	0	0	0	0	112.5	L356 S364	L356-T360 WeakPolarHBondContact O-CB 3.34Å; L356-T360 PolarHBondContact O-N 3.27Å; L356-T360 PolarHBondContact O-OG1 3.35Å; L356-T360 VanDerWaalsContact O-OG1 3.04Å; T360-S364 WeakPolarHBondContact O-CB 3.42Å; T360-S364 PolarHBondContact O-N 3.37Å; T360-S364 PolarHBondContact O-OG 2.87Å
361	K	54.3	Low	46.4	Very low	112 Å²	112	86.8 Å²	86.8	49%	0.487	44%	0.436	S	S	.	.	H	α-helix	trans	-67.1	-38.2	172.8	-75.3	170	-164.5	150.4	0	112.4	S357 Y358 F359 S364 R365	S357-K361 WeakPolarHBondContact O-CB 3.48Å; S357-K361 WeakPolarHBondContact O-CD 3.44Å; S357-K361 WeakPolarHBondContact O-CE 3.34Å; S357-K361 WeakPolarHBondContact O-CG 3.4Å; S357-K361 PolarHBondContact O-N 2.91Å; S357-K361 PolarHBondContact OG-NZ 3.2Å; Y358-K361 PolarHBondContact O-N 3Å; F359-K361 VanDerWaalsContact C-N 3.3Å; F359-K361 PolarHBondContact O-N 3.49Å; K361-S364 WeakPolarHBondContact CA-OG 3.37Å; K361-S364 PolarHBondContact O-OG 2.9Å; K361-S364 VanDerWaalsContact O-OG 3.1Å; K361-R365 WeakPolarHBondContact O-CD 3.47Å; K361-R365 VanDerWaalsContact O-CG 3.31Å; K361-R365 WeakPolarHBondContact O-CG 3.46Å; K361-R365 PolarHBondContact O-N 3.16Å
362	K	58.2	Low	47.1	Very low	47 Å²	47	82.3 Å²	82.3	20%	0.204	41%	0.407	C	S	.	.	H	α-helix	trans	-71.3	-44.7	-180	-147.9	163.6	-178.3	-175.7	0	110.9	W231 Y358 F359 R365 L366	W231-K362 HydrophobicContact CB-CD 4.39Å; W231-K362 HydrophobicContact CD2-CD 3.79Å; W231-K362 HydrophobicContact CD2-CG 4.33Å; W231-K362 HydrophobicContact CG-CD 3.61Å; W231-K362 HydrophobicContact CZ2-CG 4.49Å; Y358-K362 HydrophobicContact CE1-CD 3.8Å; Y358-K362 PolarHBondContact O-N 3.36Å; Y358-K362 PolarHBondContact OH-NZ 3.43Å; F359-K362 PolarHBondContact O-N 2.86Å; K362-R365 PolarHBondContact O-N 3.46Å; K362-L366 HydrophobicContact CG-CD1 4.29Å; K362-L366 WeakPolarHBondContact O-CG 3.5Å; K362-L366 PolarHBondContact O-N 3.15Å
363	L	49.9	Very low	47.5	Very low	27 Å²	27	74.4 Å²	74.4	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-47.6	175	-80	147.4	0	0	0	112.9	W181 W231 F359 R365 L366 M369 F373	W181-L363 HydrophobicContact CH2-CB 4.15Å; W181-L363 HydrophobicContact CH2-CD1 3.46Å; W181-L363 VanDerWaalsContact CH2-CD1 3.46Å; W181-L363 HydrophobicContact CH2-CD2 3.74Å; W181-L363 HydrophobicContact CH2-CG 3.94Å; W181-L363 HydrophobicContact CZ2-CD1 4.08Å; W181-L363 HydrophobicContact CZ2-CD2 3.86Å; W181-L363 HydrophobicContact CZ2-CG 4.49Å; W181-L363 HydrophobicContact CZ3-CD1 4.3Å; W231-L363 HydrophobicContact CH2-CD1 4.1Å; W231-L363 HydrophobicContact CH2-CD2 3.6Å; W231-L363 HydrophobicContact CH2-CG 3.51Å; W231-L363 HydrophobicContact CZ3-CD1 3.9Å; W231-L363 HydrophobicContact CZ3-CD2 4.22Å; W231-L363 HydrophobicContact CZ3-CG 3.84Å; F359-L363 HydrophobicContact CB-CD1 4.32Å; F359-L363 WeakPolarHBondContact O-CB 3.35Å; F359-L363 WeakPolarHBondContact O-CD1 3.38Å; F359-L363 PolarHBondContact O-N 2.79Å; L363-R365 PolarHBondContact O-N 3.28Å; L363-R365 VanDerWaalsContact O-N 3.17Å; L363-L366 PolarHBondContact O-N 2.92Å; L363-M369 HydrophobicContact CD2-CB 4.46Å; L363-F373 HydrophobicContact CD2-CD2 4.39Å; L363-F373 HydrophobicContact CD2-CE2 3.72Å
364	S	46.4	Very low	47.9	Very low	97 Å²	97	73.5 Å²	73.5	68%	0.678	36%	0.36	S	S	*	.	H	α-helix	trans	-65.1	-16.8	178.6	54.8	0	0	0	0	114.9	T360 K361	T360-S364 WeakPolarHBondContact O-CB 3.42Å; T360-S364 PolarHBondContact O-N 3.37Å; T360-S364 PolarHBondContact O-OG 2.87Å; K361-S364 WeakPolarHBondContact CA-OG 3.37Å; K361-S364 PolarHBondContact O-OG 2.9Å; K361-S364 VanDerWaalsContact O-OG 3.1Å
365	R	49.9	Very low	48	Very low	211 Å²	211	76.2 Å²	76.2	80%	0.796	36%	0.364	S	S	*	.	H	α-helix	trans	-95.5	-27	177.7	-71.4	174.6	174.8	-167.4	-2.7	113.6	K361 K362 L363 R367	K361-R365 WeakPolarHBondContact O-CD 3.47Å; K361-R365 VanDerWaalsContact O-CG 3.31Å; K361-R365 WeakPolarHBondContact O-CG 3.46Å; K361-R365 PolarHBondContact O-N 3.16Å; K362-R365 PolarHBondContact O-N 3.46Å; L363-R365 PolarHBondContact O-N 3.28Å; L363-R365 VanDerWaalsContact O-N 3.17Å; R365-R367 PolarHBondContact O-N 2.85Å; R365-R367 VanDerWaalsContact O-N 3.08Å
366	L	50.6	Low	47.9	Very low	52 Å²	52	74 Å²	74	27%	0.272	35%	0.352	S	S	.	.			trans	-82.4	89.5	-174.8	-78.8	164.6	0	0	0	111.5	W231 K362 L363 S368 M369 G370	W231-L366 HydrophobicContact CZ2-CD1 3.48Å; W231-L366 VanDerWaalsContact CZ2-CD1 3.48Å; K362-L366 HydrophobicContact CG-CD1 4.29Å; K362-L366 WeakPolarHBondContact O-CG 3.5Å; K362-L366 PolarHBondContact O-N 3.15Å; L363-L366 PolarHBondContact O-N 2.92Å; L366-S368 PolarHBondContact O-N 2.78Å; L366-M369 HydrophobicContact CB-CB 3.88Å; L366-M369 HydrophobicContact CB-CG 3.82Å; L366-M369 HydrophobicContact CD1-CG 3.96Å; L366-M369 HydrophobicContact CG-CG 4.46Å; L366-M369 PolarHBondContact O-N 3.06Å; L366-G370 PolarHBondContact O-N 3.37Å
367	R	41.9	Very low	48.2	Very low	237 Å²	237	72.7 Å²	72.7	89%	0.894	34%	0.344	S	S	*	.	H	α-helix	trans	-48.4	-33.1	172.9	-125.9	179.1	-175.5	176	0.8	113.2	R365 H371	R365-R367 PolarHBondContact O-N 2.85Å; R365-R367 VanDerWaalsContact O-N 3.08Å; R367-H371 PolarHBondContact O-N 3.47Å
368	S	45.4	Very low	48.3	Very low	73 Å²	73	72.9 Å²	72.9	51%	0.51	34%	0.342	S	S	.	.	H	α-helix	trans	-68.7	-51.5	174.5	47.9	0	0	0	0	112.9	L366 G370 H371 L372	L366-S368 PolarHBondContact O-N 2.78Å; S368-G370 VanDerWaalsContact C-N 3.27Å; S368-G370 PolarHBondContact O-N 2.8Å; S368-H371 WeakPolarHBondContact O-CA 3.5Å; S368-H371 WeakPolarHBondContact O-CB 3.29Å; S368-H371 PolarHBondContact O-N 3.28Å; S368-L372 PolarHBondContact O-N 2.86Å
369	M	44.2	Very low	47.7	Very low	3 Å²	3	75.4 Å²	75.4	2%	0.015	36%	0.356	C	S	.	.	H	α-helix	trans	-61.8	-38.1	174.3	-65	-56.5	-65.5	0	0	111.1	W231 Q235 L238 L363 L366 H371 L372 F373	W231-M369 HydrophobicContact CZ2-CG 4.27Å; Q235-M369 HydrophobicContact CG-CE 4.28Å; Q235-M369 HydrophobicContact CG-SD 4.06Å; Q235-M369 PolarHBondContact NE2-SD 3.01Å; L238-M369 HydrophobicContact CB-CE 4.33Å; L238-M369 HydrophobicContact CD1-CE 3.92Å; L363-M369 HydrophobicContact CD2-CB 4.46Å; L366-M369 HydrophobicContact CB-CB 3.88Å; L366-M369 HydrophobicContact CB-CG 3.82Å; L366-M369 HydrophobicContact CD1-CG 3.96Å; L366-M369 HydrophobicContact CG-CG 4.46Å; L366-M369 PolarHBondContact O-N 3.06Å; M369-H371 VanDerWaalsContact C-N 3.31Å; M369-H371 PolarHBondContact O-N 3.44Å; M369-L372 WeakPolarHBondContact O-CB 3.43Å; M369-L372 PolarHBondContact O-N 3.37Å; M369-F373 HydrophobicContact CE-CE2 3.86Å; M369-F373 VanDerWaalsContact O-CD2 3.29Å; M369-F373 WeakPolarHBondContact O-CD2 3.27Å; M369-F373 PolarHBondContact O-N 3.22Å
370	G	44.2	Very low	47.2	Very low	31 Å²	31	77.9 Å²	77.9	32%	0.32	39%	0.386	S	S	.	.	H	α-helix	trans	-54.6	-46	170	0	0	0	0	0	112.1	L366 S368 L372 W374	L366-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact C-N 3.27Å; S368-G370 PolarHBondContact O-N 2.8Å; G370-L372 VanDerWaalsContact C-N 3.29Å; G370-L372 PolarHBondContact O-N 2.84Å; G370-W374 VanDerWaalsContact O-CB 3.22Å; G370-W374 WeakPolarHBondContact O-CB 3.19Å; G370-W374 VanDerWaalsContact O-CG 3.32Å; G370-W374 PolarHBondContact O-N 3.04Å
371	H	42.6	Very low	46.9	Very low	88 Å²	88	76.4 Å²	76.4	41%	0.407	38%	0.383	S	S	.	.	H	α-helix	trans	-67.8	-26.4	175.7	-163.7	-83.5	0	0	0	113.8	R367 S368 M369 W374 R375	R367-H371 PolarHBondContact O-N 3.47Å; S368-H371 WeakPolarHBondContact O-CA 3.5Å; S368-H371 WeakPolarHBondContact O-CB 3.29Å; S368-H371 PolarHBondContact O-N 3.28Å; M369-H371 VanDerWaalsContact C-N 3.31Å; M369-H371 PolarHBondContact O-N 3.44Å; H371-W374 WeakPolarHBondContact O-CB 3.22Å; H371-W374 PolarHBondContact O-N 3.06Å; H371-R375 PolarHBondContact CE1-NE 2.93Å; H371-R375 VanDerWaalsContact CE1-NE 3.28Å; H371-R375 PolarHBondContact NE2-NE 3.37Å; H371-R375 PolarHBondContact NE2-NH2 3.28Å; H371-R375 PolarHBondContact O-N 2.95Å
372	L	43	Very low	46.7	Very low	31 Å²	31	75.6 Å²	75.6	16%	0.162	38%	0.379	C	S	.	.	H	α-helix	trans	-79.9	-41.2	-179.3	-153.4	144.1	0	0	0	111.7	N239 S368 M369 G370 W374 G376 Q377	N239-L372 WeakPolarHBondContact OD1-CD1 3.48Å; S368-L372 PolarHBondContact O-N 2.86Å; M369-L372 WeakPolarHBondContact O-CB 3.43Å; M369-L372 PolarHBondContact O-N 3.37Å; G370-L372 VanDerWaalsContact C-N 3.29Å; G370-L372 PolarHBondContact O-N 2.84Å; L372-W374 VanDerWaalsContact C-N 3.26Å; L372-G376 CarbonylContact O-C 3.54Å; L372-G376 VanDerWaalsContact O-CA 3.26Å; L372-G376 WeakPolarHBondContact O-CA 3.48Å; L372-G376 PolarHBondContact O-N 2.96Å; L372-Q377 HydrophobicContact CD2-CB 4.48Å
373	F	44.4	Very low	45.9	Very low	18 Å²	18	79.8 Å²	79.8	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-70.4	-21.5	165.6	-73.4	-73.4	0	0	0	113.3	W181 L238 W243 L249 L363 M369	W181-F373 AromaticContact CE2-CE1 3.91Å; W181-F373 AromaticContact CE2-CZ 3.97Å; W181-F373 HydrophobicContact CZ2-CD2 4.32Å; W181-F373 HydrophobicContact CZ2-CE1 4.03Å; W181-F373 AromaticContact CZ2-CE2 3.8Å; W181-F373 HydrophobicContact CZ2-CE2 3.8Å; W181-F373 AromaticContact CZ2-CZ 3.65Å; W181-F373 HydrophobicContact CZ2-CZ 3.65Å; W181-F373 AromaticContact NE1-CD1 3.78Å; W181-F373 AromaticContact NE1-CE1 3.21Å; W181-F373 AromaticContact NE1-CZ 3.66Å; L238-F373 HydrophobicContact CD1-CE2 4.39Å; L238-F373 HydrophobicContact CD1-CZ 3.85Å; L238-F373 HydrophobicContact CD2-CE1 4.41Å; L238-F373 HydrophobicContact CD2-CZ 4.1Å; W243-F373 HydrophobicContact CH2-CB 4.24Å; W243-F373 AromaticContact CH2-CD1 3.58Å; W243-F373 HydrophobicContact CH2-CD1 3.58Å; W243-F373 HydrophobicContact CH2-CE1 4.37Å; W243-F373 HydrophobicContact CH2-CG 4.32Å; W243-F373 HydrophobicContact CZ2-CB 4.38Å; W243-F373 AromaticContact CZ2-CD1 3.5Å; W243-F373 HydrophobicContact CZ2-CD1 3.5Å; W243-F373 HydrophobicContact CZ2-CE1 4.03Å; W243-F373 HydrophobicContact CZ2-CG 4.19Å; L249-F373 HydrophobicContact CD1-CB 4.49Å; L363-F373 HydrophobicContact CD2-CD2 4.39Å; L363-F373 HydrophobicContact CD2-CE2 3.72Å; M369-F373 HydrophobicContact CE-CE2 3.86Å; M369-F373 VanDerWaalsContact O-CD2 3.29Å; M369-F373 WeakPolarHBondContact O-CD2 3.27Å; M369-F373 PolarHBondContact O-N 3.22Å
374	W	42.5	Very low	46	Very low	127 Å²	127	80.1 Å²	80.1	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-74.2	173.5	-100	39.7	0	0	0	111.9	G245 Y250 G370 H371 L372 G376	G245-W374 WeakPolarHBondContact CA-O 3.33Å; Y250-W374 HydrophobicContact CE2-CB 4.38Å; Y250-W374 HydrophobicContact CE2-CG 4.38Å; Y250-W374 WeakPolarHBondContact CE2-O 3.26Å; Y250-W374 VanDerWaalsContact CZ-O 3.29Å; Y250-W374 WeakPolarHBondContact OH-CA 3.37Å; Y250-W374 WeakPolarHBondContact OH-CB 3.38Å; Y250-W374 VanDerWaalsContact OH-CD2 3.29Å; Y250-W374 PolarHBondContact OH-O 2.78Å; G370-W374 VanDerWaalsContact O-CB 3.22Å; G370-W374 WeakPolarHBondContact O-CB 3.19Å; G370-W374 VanDerWaalsContact O-CG 3.32Å; G370-W374 PolarHBondContact O-N 3.04Å; H371-W374 WeakPolarHBondContact O-CB 3.22Å; H371-W374 PolarHBondContact O-N 3.06Å; L372-W374 VanDerWaalsContact C-N 3.26Å; W374-G376 PolarHBondContact O-N 3.24Å
375	R	41.2	Very low	46.8	Very low	165 Å²	165	83.3 Å²	83.3	62%	0.623	41%	0.405	S	S	*	.	H	α-helix	trans	-83	-7.1	-170.4	-56	-166	-169.4	-173.9	1.7	112.9	G245 H371	G245-R375 PolarHBondContact N-O 2.97Å; H371-R375 PolarHBondContact CE1-NE 2.93Å; H371-R375 VanDerWaalsContact CE1-NE 3.28Å; H371-R375 PolarHBondContact NE2-NE 3.37Å; H371-R375 PolarHBondContact NE2-NH2 3.28Å; H371-R375 PolarHBondContact O-N 2.95Å
376	G	50.1	Low	47.7	Very low	11 Å²	11	74.1 Å²	74.1	11%	0.113	37%	0.372	C	S	.	.			trans	63.7	175.8	-153.1	0	0	0	0	0	110.7	W243 G245 L372 W374	W243-G376 CarbonylContact O-C 3.56Å; W243-G376 VanDerWaalsContact O-CA 3.3Å; W243-G376 WeakPolarHBondContact O-CA 3.35Å; G245-G376 VanDerWaalsContact N-N 3.18Å; L372-G376 CarbonylContact O-C 3.54Å; L372-G376 VanDerWaalsContact O-CA 3.26Å; L372-G376 WeakPolarHBondContact O-CA 3.48Å; L372-G376 PolarHBondContact O-N 2.96Å; W374-G376 PolarHBondContact O-N 3.24Å
377	Q	51.9	Low	48.8	Very low	34 Å²	34	72.2 Å²	72.2	16%	0.159	36%	0.362	C	S	.	.			trans	-111.8	108.7	174.4	-173.1	165.4	-14.2	0	0	109.9	N239 Q242 W243 L372 E379	N239-Q377 VanDerWaalsContact O-CD 3.3Å; N239-Q377 PolarHBondContact O-NE2 3.36Å; N239-Q377 PolarHBondContact O-OE1 3.4Å; Q242-Q377 VanDerWaalsContact CA-O 3.24Å; Q242-Q377 WeakPolarHBondContact CA-O 3.29Å; W243-Q377 PolarHBondContact N-O 3Å; W243-Q377 CarbonylContact O-C 3.52Å; W243-Q377 PolarHBondContact O-N 3.1Å; L372-Q377 HydrophobicContact CD2-CB 4.48Å; Q377-E379 HydrophobicContact CG-CG 3.92Å; Q377-E379 PolarHBondContact NE2-OE1 3.39Å
378	I	52.3	Low	50.8	Low	38 Å²	38	61 Å²	61	20%	0.195	32%	0.32	C	S	.	.			trans	-110.7	85.7	167.9	-35.5	175.7	0	0	0	108.6	V244 G380 G381 F382 C384	V244-I378 HydrophobicContact CG2-CD1 3.9Å; V244-I378 HydrophobicContact CG2-CG1 4.32Å; I378-G380 PolarHBondContact O-N 2.98Å; I378-G381 WeakPolarHBondContact CG2-O 3.46Å; I378-G381 WeakPolarHBondContact O-CA 3.42Å; I378-G381 PolarHBondContact O-N 2.91Å; I378-F382 HydrophobicContact CD1-CD1 3.68Å; I378-F382 HydrophobicContact CD1-CE1 3.74Å; I378-F382 HydrophobicContact CD1-CG 4.41Å; I378-C384 HydrophobicContact CG2-CB 3.73Å
379	E	44.5	Very low	52.7	Low	106 Å²	106	57.7 Å²	57.7	50%	0.495	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	127.5	171	-61.7	-166.6	149.9	0	0	109.9	Q242 Q377 G381 C384	Q242-E379 PolarHBondContact NE2-O 3.23Å; Q377-E379 HydrophobicContact CG-CG 3.92Å; Q377-E379 PolarHBondContact NE2-OE1 3.39Å; E379-G381 VanDerWaalsContact C-N 3.35Å; E379-C384 PolarHBondContact O-SG 3Å
380	G	44.1	Very low	54.7	Low	67 Å²	67	57.8 Å²	57.8	69%	0.691	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-0.3	-168.8	0	0	0	0	0	115.2	I378	I378-G380 PolarHBondContact O-N 2.98Å
381	G	44.3	Very low	56.7	Low	30 Å²	30	56.4 Å²	56.4	31%	0.309	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	68.8	-171.8	-179.7	0	0	0	0	0	113.6	I378 E379 N383 C384	I378-G381 WeakPolarHBondContact CG2-O 3.46Å; I378-G381 WeakPolarHBondContact O-CA 3.42Å; I378-G381 PolarHBondContact O-N 2.91Å; E379-G381 VanDerWaalsContact C-N 3.35Å; G381-N383 PolarHBondContact O-N 3.39Å; G381-C384 WeakPolarHBondContact O-CB 3.25Å; G381-C384 PolarHBondContact O-N 3.39Å
382	F	48.9	Very low	59	Low	95 Å²	95	52.2 Å²	52.2	42%	0.417	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-55	-12.2	-175.6	-61.6	-76.6	0	0	0	115.6	I378 C384 L468 L471	I378-F382 HydrophobicContact CD1-CD1 3.68Å; I378-F382 HydrophobicContact CD1-CE1 3.74Å; I378-F382 HydrophobicContact CD1-CG 4.41Å; F382-C384 PolarHBondContact O-N 3.25Å; F382-L468 HydrophobicContact CD1-CD2 4.34Å; F382-L468 HydrophobicContact CE1-CD2 3.77Å; F382-L468 HydrophobicContact CZ-CD2 4.48Å; F382-L471 HydrophobicContact CD1-CD1 4.36Å; F382-L471 HydrophobicContact CD1-CD2 4.29Å
383	N	42.6	Very low	61.1	Low	135 Å²	135	50.7 Å²	50.7	72%	0.722	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-65.2	-14.4	168.8	-70.8	-49.9	0	0	0	114.2	G381 R385	G381-N383 PolarHBondContact O-N 3.39Å; N383-R385 PolarHBondContact O-N 3.22Å
384	C	51.4	Low	63.2	Low	34 Å²	34	49.9 Å²	49.9	23%	0.23	25%	0.251	C	S	.	.			trans	-77.2	103.8	-176.1	-120.9	0	0	0	0	112.6	Q242 I378 E379 G381 F382 V386	Q242-C384 PolarHBondContact NE2-SG 3.17Å; Q242-C384 VanDerWaalsContact NE2-SG 3.44Å; Q242-C384 PolarHBondContact OE1-SG 3.34Å; I378-C384 HydrophobicContact CG2-CB 3.73Å; E379-C384 PolarHBondContact O-SG 3Å; G381-C384 WeakPolarHBondContact O-CB 3.25Å; G381-C384 PolarHBondContact O-N 3.39Å; F382-C384 PolarHBondContact O-N 3.25Å; C384-V386 PolarHBondContact O-N 3.07Å; C384-V386 VanDerWaalsContact O-N 3.15Å
385	R	62.3	Low	65.5	Low	164 Å²	164	43.8 Å²	43.8	62%	0.619	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	76.3	-175	-62.8	172.4	-165.7	163.6	5	110.8	N383 E389	N383-R385 PolarHBondContact O-N 3.22Å; R385-E389 VanDerWaalsContact C-OE2 3.28Å
386	V	68.8	Low	67.8	Low	17 Å²	17	36 Å²	36	10%	0.103	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-23.2	179.2	-158.9	0	0	0	0	114	C384 M388 E389 Y390 A486	C384-V386 PolarHBondContact O-N 3.07Å; C384-V386 VanDerWaalsContact O-N 3.15Å; V386-M388 PolarHBondContact O-N 3.28Å; V386-E389 WeakPolarHBondContact CA-OE2 3.29Å; V386-E389 PolarHBondContact N-OE2 3.36Å; V386-E389 CarbonylContact O-C 3.06Å; V386-E389 WeakPolarHBondContact O-CA 3.24Å; V386-E389 WeakPolarHBondContact O-CB 3.47Å; V386-E389 PolarHBondContact O-N 3.09Å; V386-Y390 HydrophobicContact CB-CE2 4.01Å; V386-Y390 HydrophobicContact CG1-CD1 4.33Å; V386-Y390 HydrophobicContact CG1-CD2 4.17Å; V386-Y390 HydrophobicContact CG1-CE1 3.86Å; V386-Y390 HydrophobicContact CG1-CE2 3.63Å; V386-Y390 HydrophobicContact CG1-CG 4.47Å; V386-Y390 VanDerWaalsContact CG1-CZ 3.47Å; V386-Y390 WeakPolarHBondContact O-CD2 3.3Å; V386-Y390 PolarHBondContact O-N 3.4Å; V386-A486 HydrophobicContact CG1-CB 4.01Å
387	L	74.6	Confident	69.4	Low	13 Å²	13	35.8 Å²	35.8	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-175.3	-57.3	176.6	0	0	0	114.5	F133 V244 W246 E389 Y390 N391 L471	F133-L387 HydrophobicContact CD1-CB 4.49Å; F133-L387 HydrophobicContact CE1-CB 3.59Å; F133-L387 HydrophobicContact CZ-CB 3.83Å; F133-L387 HydrophobicContact CZ-CD1 4.08Å; V244-L387 HydrophobicContact CG2-CD1 3.62Å; W246-L387 HydrophobicContact CH2-CD1 4.12Å; W246-L387 HydrophobicContact CZ2-CD2 4.44Å; L387-E389 VanDerWaalsContact C-N 3.26Å; L387-E389 PolarHBondContact O-N 3.48Å; L387-Y390 HydrophobicContact CD2-CD2 4.11Å; L387-Y390 HydrophobicContact CD2-CE2 4.35Å; L387-Y390 PolarHBondContact O-N 2.86Å; L387-N391 PolarHBondContact O-N 2.98Å; L387-L471 HydrophobicContact CD1-CB 4.21Å; L387-L471 HydrophobicContact CD1-CD1 4.04Å; L387-L471 HydrophobicContact CD1-CD2 4.02Å; L387-L471 HydrophobicContact CD1-CG 4.32Å
388	M	82.7	Confident	71.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-28.3	175.2	-71.3	-67.6	-60.9	0	0	111.8	F133 I136 V386 N391 V392 F449 V452 R474	F133-M388 HydrophobicContact CD1-SD 4.39Å; F133-M388 HydrophobicContact CE1-CG 4.23Å; F133-M388 HydrophobicContact CE1-SD 3.86Å; I136-M388 HydrophobicContact CD1-SD 4.1Å; I136-M388 HydrophobicContact CG2-CE 3.98Å; I136-M388 HydrophobicContact CG2-SD 4.37Å; V386-M388 PolarHBondContact O-N 3.28Å; M388-N391 WeakPolarHBondContact O-CB 3.46Å; M388-N391 PolarHBondContact O-N 3.43Å; M388-V392 PolarHBondContact O-N 3.02Å; M388-F449 HydrophobicContact CB-CD2 4.47Å; M388-F449 HydrophobicContact CB-CE2 3.77Å; M388-F449 HydrophobicContact CB-CZ 4.09Å; M388-F449 HydrophobicContact CE-CD2 4.49Å; M388-V452 HydrophobicContact CE-CB 4.42Å; M388-V452 HydrophobicContact CE-CG1 4.44Å; M388-V452 HydrophobicContact CE-CG2 4.08Å; M388-R474 HydrophobicContact CB-CG 4.15Å; M388-R474 HydrophobicContact CG-CG 4.02Å
389	E	85.8	Confident	72.5	Confident	5 Å²	5	32.7 Å²	32.7	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-75.2	-31.8	176.8	-61.1	74.8	-176.5	0	0	110.8	R385 V386 L387 V392 A393 F449 R474 P478 H482 L483 A486	R385-E389 VanDerWaalsContact C-OE2 3.28Å; V386-E389 WeakPolarHBondContact CA-OE2 3.29Å; V386-E389 PolarHBondContact N-OE2 3.36Å; V386-E389 CarbonylContact O-C 3.06Å; V386-E389 WeakPolarHBondContact O-CA 3.24Å; V386-E389 WeakPolarHBondContact O-CB 3.47Å; V386-E389 PolarHBondContact O-N 3.09Å; L387-E389 VanDerWaalsContact C-N 3.26Å; L387-E389 PolarHBondContact O-N 3.48Å; E389-V392 PolarHBondContact O-N 2.93Å; E389-A393 PolarHBondContact O-N 3.26Å; E389-F449 HydrophobicContact CG-CE2 4.36Å; E389-F449 HydrophobicContact CG-CZ 4.12Å; E389-F449 WeakPolarHBondContact OE1-CZ 3.11Å; E389-R474 IonicContact OE1-CZ 3.45Å; E389-R474 IonicContact OE1-NE 2.95Å; E389-R474 PolarHBondContact OE1-NE 3.06Å; E389-R474 IonicContact OE1-NH2 2.95Å; E389-R474 IonicContact OE2-CZ 2.98Å; E389-R474 IonicContact OE2-NE 2.79Å; E389-R474 PolarHBondContact OE2-NE 3.05Å; E389-R474 IonicContact OE2-NH2 3.09Å; E389-R474 PolarHBondContact OE2-NH2 3.16Å; E389-P478 HydrophobicContact CG-CB 4.3Å; E389-H482 HydrophobicContact CG-CB 4.48Å; E389-L483 HydrophobicContact CB-CD2 4.25Å; E389-L483 HydrophobicContact CG-CD2 4.42Å; E389-A486 HydrophobicContact CB-CB 3.89Å
390	Y	85.6	Confident	74.1	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-38.8	167.9	-66.8	-47.7	0	0	0	112.6	F241 Q242 V386 L387 V392 A393 I394 A486 R489 M490	F241-Y390 HydrophobicContact CE1-CE2 4.28Å; F241-Y390 HydrophobicContact CE2-CD1 4.36Å; F241-Y390 AromaticContact CE2-CE1 3.66Å; F241-Y390 HydrophobicContact CE2-CE1 3.66Å; F241-Y390 HydrophobicContact CE2-CE2 4.32Å; F241-Y390 AromaticContact CE2-CZ 3.64Å; F241-Y390 HydrophobicContact CZ-CD1 4.23Å; F241-Y390 HydrophobicContact CZ-CD2 4.16Å; F241-Y390 AromaticContact CZ-CE1 3.82Å; F241-Y390 HydrophobicContact CZ-CE1 3.82Å; F241-Y390 AromaticContact CZ-CE2 3.8Å; F241-Y390 HydrophobicContact CZ-CE2 3.8Å; F241-Y390 HydrophobicContact CZ-CG 4.4Å; F241-Y390 AromaticContact CZ-CZ 3.6Å; Q242-Y390 HydrophobicContact CB-CE2 4.49Å; Q242-Y390 WeakPolarHBondContact O-CE2 3.34Å; V386-Y390 HydrophobicContact CB-CE2 4.01Å; V386-Y390 HydrophobicContact CG1-CD1 4.33Å; V386-Y390 HydrophobicContact CG1-CD2 4.17Å; V386-Y390 HydrophobicContact CG1-CE1 3.86Å; V386-Y390 HydrophobicContact CG1-CE2 3.63Å; V386-Y390 HydrophobicContact CG1-CG 4.47Å; V386-Y390 VanDerWaalsContact CG1-CZ 3.47Å; V386-Y390 WeakPolarHBondContact O-CD2 3.3Å; V386-Y390 PolarHBondContact O-N 3.4Å; L387-Y390 HydrophobicContact CD2-CD2 4.11Å; L387-Y390 HydrophobicContact CD2-CE2 4.35Å; L387-Y390 PolarHBondContact O-N 2.86Å; Y390-V392 VanDerWaalsContact C-N 3.28Å; Y390-V392 PolarHBondContact O-N 2.88Å; Y390-A393 WeakPolarHBondContact O-CB 3.2Å; Y390-A393 PolarHBondContact O-N 3.32Å; Y390-I394 WeakPolarHBondContact O-CG1 3.46Å; Y390-I394 PolarHBondContact O-N 3.28Å; Y390-A486 HydrophobicContact CD1-CB 3.77Å; Y390-A486 HydrophobicContact CE1-CB 3.98Å; Y390-A486 WeakPolarHBondContact CE1-O 3.24Å; Y390-R489 HydrophobicContact CE1-CB 4.16Å; Y390-M490 HydrophobicContact CD1-CB 4.11Å; Y390-M490 HydrophobicContact CD1-SD 4.04Å; Y390-M490 HydrophobicContact CG-SD 4.25Å
391	N	87.9	Confident	75.6	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-56.1	-43.9	171.4	-88	38.7	0	0	0	111.7	F133 M137 Q140 L387 M388 I394 L395	F133-N391 PolarHBondContact O-ND2 2.92Å; M137-N391 HydrophobicContact CE-CB 4.27Å; Q140-N391 PolarHBondContact OE1-ND2 3.28Å; L387-N391 PolarHBondContact O-N 2.98Å; M388-N391 WeakPolarHBondContact O-CB 3.46Å; M388-N391 PolarHBondContact O-N 3.43Å; N391-I394 PolarHBondContact O-N 3.48Å; N391-L395 WeakPolarHBondContact O-CG 3.44Å; N391-L395 PolarHBondContact O-N 3.42Å
392	V	89.6	Confident	76.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-37.7	177.2	179.7	0	0	0	0	111.6	M388 E389 Y390 I394 L395 F396 L438 F449 L483	M388-V392 PolarHBondContact O-N 3.02Å; E389-V392 PolarHBondContact O-N 2.93Å; Y390-V392 VanDerWaalsContact C-N 3.28Å; Y390-V392 PolarHBondContact O-N 2.88Å; V392-I394 PolarHBondContact O-N 2.9Å; V392-L395 PolarHBondContact O-N 3.18Å; V392-F396 PolarHBondContact O-N 3.36Å; V392-L438 HydrophobicContact CG1-CB 3.99Å; V392-L438 HydrophobicContact CG1-CD1 4.04Å; V392-F449 HydrophobicContact CG2-CD2 3.84Å; V392-F449 HydrophobicContact CG2-CE2 4.09Å; V392-L483 HydrophobicContact CB-CD2 3.93Å; V392-L483 HydrophobicContact CG1-CD1 4.43Å; V392-L483 HydrophobicContact CG1-CD2 3.8Å
393	A	88.4	Confident	77.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-40.1	173.7	0	0	0	0	0	113	E389 Y390 L395 F396 I397 T487 M490	E389-A393 PolarHBondContact O-N 3.26Å; Y390-A393 WeakPolarHBondContact O-CB 3.2Å; Y390-A393 PolarHBondContact O-N 3.32Å; A393-L395 VanDerWaalsContact C-N 3.34Å; A393-F396 WeakPolarHBondContact O-CB 3.33Å; A393-F396 PolarHBondContact O-N 3.48Å; A393-I397 WeakPolarHBondContact O-CB 3.4Å; A393-I397 VanDerWaalsContact O-CG1 3.24Å; A393-I397 WeakPolarHBondContact O-CG1 3.41Å; A393-I397 PolarHBondContact O-N 3.26Å; A393-T487 WeakPolarHBondContact CB-OG1 3.44Å; A393-M490 HydrophobicContact CB-CB 4.12Å; A393-M490 HydrophobicContact CB-CG 4.44Å
394	I	88.5	Confident	77.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-41.9	176.9	-71.2	164.2	0	0	0	110.9	M137 V162 I165 W166 Y390 N391 V392 I397 A398 M490	M137-I394 HydrophobicContact CE-CB 4.25Å; M137-I394 HydrophobicContact CE-CD1 3.58Å; M137-I394 HydrophobicContact CE-CG2 4.11Å; M137-I394 HydrophobicContact SD-CG2 4.02Å; V162-I394 HydrophobicContact CG1-CG2 4.32Å; I165-I394 HydrophobicContact CB-CG2 4.22Å; I165-I394 HydrophobicContact CG2-CB 4.36Å; I165-I394 HydrophobicContact CG2-CG1 4.03Å; I165-I394 HydrophobicContact CG2-CG2 3.78Å; W166-I394 HydrophobicContact CE3-CD1 3.72Å; W166-I394 HydrophobicContact CZ3-CD1 4.06Å; Y390-I394 WeakPolarHBondContact O-CG1 3.46Å; Y390-I394 PolarHBondContact O-N 3.28Å; N391-I394 PolarHBondContact O-N 3.48Å; V392-I394 PolarHBondContact O-N 2.9Å; I394-I397 PolarHBondContact O-N 2.99Å; I394-A398 VanDerWaalsContact O-CB 3.31Å; I394-A398 WeakPolarHBondContact O-CB 3.4Å; I394-A398 PolarHBondContact O-N 3.37Å; I394-M490 HydrophobicContact CD1-CE 3.56Å; I394-M490 HydrophobicContact CD1-SD 4.18Å; I394-M490 HydrophobicContact CG1-CE 3.65Å; I394-M490 HydrophobicContact CG1-CG 4.01Å; I394-M490 HydrophobicContact CG1-SD 4.12Å
395	L	89.8	Confident	77.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-42.3	174.9	-63.2	167.4	0	0	0	111.7	Q140 A141 L144 F158 V162 N391 V392 A393 A398 C399 L447	Q140-L395 HydrophobicContact CB-CD1 3.64Å; A141-L395 HydrophobicContact CB-CD2 3.76Å; L144-L395 HydrophobicContact CD2-CB 3.95Å; F158-L395 HydrophobicContact CZ-CD2 4.09Å; V162-L395 HydrophobicContact CG1-CD2 4.24Å; V162-L395 HydrophobicContact CG2-CD2 3.97Å; N391-L395 WeakPolarHBondContact O-CG 3.44Å; N391-L395 PolarHBondContact O-N 3.42Å; V392-L395 PolarHBondContact O-N 3.18Å; A393-L395 VanDerWaalsContact C-N 3.34Å; L395-A398 PolarHBondContact O-N 3.47Å; L395-C399 PolarHBondContact O-N 3.25Å; L395-C399 PolarHBondContact O-SG 2.93Å; L395-L447 HydrophobicContact CD1-CD1 4.49Å
396	F	88.7	Confident	76.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.3	-50.5	175.2	-173.5	-119.3	0	0	0	111.9	V392 A393 A398 C399 L400 I433 L435 L438 T487	V392-F396 PolarHBondContact O-N 3.36Å; A393-F396 WeakPolarHBondContact O-CB 3.33Å; A393-F396 PolarHBondContact O-N 3.48Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 3.21Å; F396-C399 PolarHBondContact O-N 3.28Å; F396-L400 HydrophobicContact CD1-CD1 3.77Å; F396-L400 HydrophobicContact CE1-CD1 3.54Å; F396-L400 HydrophobicContact CE1-CG 4.5Å; F396-L400 HydrophobicContact CE2-CD1 4.34Å; F396-L400 HydrophobicContact CE2-CG 4.5Å; F396-L400 HydrophobicContact CG-CD1 4.3Å; F396-L400 HydrophobicContact CZ-CD1 3.85Å; F396-L400 HydrophobicContact CZ-CG 4.42Å; F396-L400 VanDerWaalsContact O-CG 3.29Å; F396-L400 WeakPolarHBondContact O-CG 3.39Å; F396-L400 PolarHBondContact O-N 2.81Å; F396-I433 HydrophobicContact CD2-CG2 4.03Å; F396-I433 HydrophobicContact CE2-CG2 4.26Å; F396-L435 HydrophobicContact CB-CD2 4.08Å; F396-L435 HydrophobicContact CD1-CD2 3.66Å; F396-L435 HydrophobicContact CD1-CG 4.07Å; F396-L435 HydrophobicContact CD2-CD2 3.81Å; F396-L435 HydrophobicContact CD2-CG 4.33Å; F396-L435 HydrophobicContact CE1-CD1 4.48Å; F396-L435 HydrophobicContact CE1-CD2 3.94Å; F396-L435 HydrophobicContact CE1-CG 3.8Å; F396-L435 HydrophobicContact CE2-CD2 4.1Å; F396-L435 HydrophobicContact CE2-CG 4.1Å; F396-L435 HydrophobicContact CG-CD2 3.57Å; F396-L435 HydrophobicContact CG-CG 4.31Å; F396-L435 HydrophobicContact CZ-CD2 4.16Å; F396-L435 HydrophobicContact CZ-CG 3.82Å; F396-L438 HydrophobicContact CB-CD1 3.56Å; F396-L438 HydrophobicContact CD2-CD1 3.78Å; F396-L438 HydrophobicContact CG-CD1 4.06Å; F396-T487 HydrophobicContact CD1-CG2 3.63Å; F396-T487 HydrophobicContact CE1-CG2 4.03Å
397	I	85.7	Confident	75.2	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-37.6	178.8	-66.7	166.5	0	0	0	111.1	I165 A393 I394 L400 T401 T487 M490 R491 I494 L496	I165-I397 HydrophobicContact CD1-CB 4.45Å; I165-I397 HydrophobicContact CD1-CG2 3.84Å; A393-I397 WeakPolarHBondContact O-CB 3.4Å; A393-I397 VanDerWaalsContact O-CG1 3.24Å; A393-I397 WeakPolarHBondContact O-CG1 3.41Å; A393-I397 PolarHBondContact O-N 3.26Å; I394-I397 PolarHBondContact O-N 2.99Å; I397-L400 PolarHBondContact O-N 3.27Å; I397-T401 PolarHBondContact O-N 3.48Å; I397-T401 PolarHBondContact O-OG1 3.23Å; I397-T487 HydrophobicContact CG1-CG2 4.45Å; I397-M490 HydrophobicContact CD1-CB 4.21Å; I397-M490 HydrophobicContact CD1-CG 4.16Å; I397-R491 HydrophobicContact CD1-CB 4.22Å; I397-I494 HydrophobicContact CD1-CD1 4.15Å; I397-L496 HydrophobicContact CG2-CD1 3.38Å
398	A	85.6	Confident	73.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-47.1	173.8	0	0	0	0	0	112.1	F158 V162 I165 I394 L395 F396 L400 T401 T402	F158-A398 HydrophobicContact CD2-CB 4.14Å; F158-A398 HydrophobicContact CE2-CB 3.71Å; V162-A398 HydrophobicContact CB-CB 4.32Å; V162-A398 HydrophobicContact CG2-CB 3.35Å; I165-A398 HydrophobicContact CD1-CB 3.99Å; I394-A398 VanDerWaalsContact O-CB 3.31Å; I394-A398 WeakPolarHBondContact O-CB 3.4Å; I394-A398 PolarHBondContact O-N 3.37Å; L395-A398 PolarHBondContact O-N 3.47Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 3.21Å; A398-L400 VanDerWaalsContact C-N 3.29Å; A398-L400 PolarHBondContact O-N 2.66Å; A398-T401 WeakPolarHBondContact CA-OG1 3.32Å; A398-T401 PolarHBondContact O-N 3.37Å; A398-T401 VanDerWaalsContact O-N 3.13Å; A398-T401 PolarHBondContact O-OG1 3.37Å; A398-T401 VanDerWaalsContact O-OG1 3.09Å; A398-T402 PolarHBondContact O-N 3.47Å; A398-T402 PolarHBondContact O-OG1 3.18Å
399	C	83.3	Confident	71.6	Confident	7 Å²	7	33.2 Å²	33.2	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-42.3	175.3	-68.1	0	0	0	0	112	F158 L395 F396 T401 C403 I433	F158-C399 HydrophobicContact CE2-CB 4.48Å; F158-C399 WeakPolarHBondContact CE2-SG 3.42Å; L395-C399 PolarHBondContact O-N 3.25Å; L395-C399 PolarHBondContact O-SG 2.93Å; F396-C399 PolarHBondContact O-N 3.28Å; C399-T401 VanDerWaalsContact C-N 3.32Å; C399-T401 PolarHBondContact O-N 3.14Å; C399-C403 VanDerWaalsContact O-CB 3.28Å; C399-C403 WeakPolarHBondContact O-CB 3.41Å; C399-C403 PolarHBondContact O-N 3.19Å; C399-I433 HydrophobicContact CB-CD1 4.25Å
400	L	77.7	Confident	69.5	Low	18 Å²	18	35 Å²	35	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-35.3	177.3	-72	173.5	0	0	0	113.1	F396 I397 A398 F499 P500 Y502	F396-L400 HydrophobicContact CD1-CD1 3.77Å; F396-L400 HydrophobicContact CE1-CD1 3.54Å; F396-L400 HydrophobicContact CE1-CG 4.5Å; F396-L400 HydrophobicContact CE2-CD1 4.34Å; F396-L400 HydrophobicContact CE2-CG 4.5Å; F396-L400 HydrophobicContact CG-CD1 4.3Å; F396-L400 HydrophobicContact CZ-CD1 3.85Å; F396-L400 HydrophobicContact CZ-CG 4.42Å; F396-L400 VanDerWaalsContact O-CG 3.29Å; F396-L400 WeakPolarHBondContact O-CG 3.39Å; F396-L400 PolarHBondContact O-N 2.81Å; I397-L400 PolarHBondContact O-N 3.27Å; A398-L400 VanDerWaalsContact C-N 3.29Å; A398-L400 PolarHBondContact O-N 2.66Å; L400-F499 HydrophobicContact CD1-CD1 4.26Å; L400-F499 HydrophobicContact CD1-CE1 4.4Å; L400-P500 HydrophobicContact CB-CG 3.88Å; L400-P500 HydrophobicContact CD2-CG 4.06Å; L400-P500 HydrophobicContact CG-CG 4.48Å; L400-P500 WeakPolarHBondContact O-CG 3.26Å; L400-Y502 VanDerWaalsContact CD1-OH 3.25Å; L400-Y502 WeakPolarHBondContact CD1-OH 3.47Å; L400-Y502 HydrophobicContact CD2-CE1 3.53Å; L400-Y502 WeakPolarHBondContact CD2-OH 3.35Å
401	T	75	Confident	67.6	Low	64 Å²	64	35.1 Å²	35.1	39%	0.393	19%	0.191	S	C	.	.	H	α-helix	trans	-86.3	-26.7	-178.9	44.7	0	0	0	0	113.5	T161 I397 A398 C399	T161-T401 WeakPolarHBondContact CG2-OG1 3.33Å; I397-T401 PolarHBondContact O-N 3.48Å; I397-T401 PolarHBondContact O-OG1 3.23Å; A398-T401 WeakPolarHBondContact CA-OG1 3.32Å; A398-T401 PolarHBondContact O-N 3.37Å; A398-T401 VanDerWaalsContact O-N 3.13Å; A398-T401 PolarHBondContact O-OG1 3.37Å; A398-T401 VanDerWaalsContact O-OG1 3.09Å; C399-T401 VanDerWaalsContact C-N 3.32Å; C399-T401 PolarHBondContact O-N 3.14Å
402	T	70.7	Confident	65.3	Low	29 Å²	29	37.7 Å²	37.7	18%	0.178	20%	0.204	C	C	.	.	H	α-helix	trans	-102.3	-10.1	-179.1	65	0	0	0	0	115.6	T161 A398 P404	T161-T402 HydrophobicContact CG2-CG2 3.63Å; T161-T402 WeakPolarHBondContact OG1-CG2 3.33Å; A398-T402 PolarHBondContact O-N 3.47Å; A398-T402 PolarHBondContact O-OG1 3.18Å; T402-P404 WeakPolarHBondContact O-CD 3.21Å
403	C	59.3	Low	62.9	Low	27 Å²	27	44.7 Å²	44.7	18%	0.182	24%	0.235	C	C	.	.	S	Bend	trans	-109.1	54.1	169.2	-63.7	0	0	0	0	112.1	C399 I405 T431	C399-C403 VanDerWaalsContact O-CB 3.28Å; C399-C403 WeakPolarHBondContact O-CB 3.41Å; C399-C403 PolarHBondContact O-N 3.19Å; C403-I405 PolarHBondContact O-N 3.03Å; C403-I405 VanDerWaalsContact O-N 3.09Å; C403-T431 WeakPolarHBondContact CB-O 3.47Å; C403-T431 PolarHBondContact SG-O 2.82Å; C403-T431 VanDerWaalsContact SG-O 3.39Å
404	P	49.9	Very low	60.5	Low	88 Å²	88	45.7 Å²	45.7	57%	0.571	24%	0.242	S	C	*	.			trans	-64.6	115.5	176.8	29.3	-34	0	0	0	109.9	T402 R406	T402-P404 WeakPolarHBondContact O-CD 3.21Å; P404-R406 PolarHBondContact O-N 3.07Å; P404-R406 VanDerWaalsContact O-N 3.1Å
405	I	49.5	Very low	57.9	Low	88 Å²	88	49.6 Å²	49.6	45%	0.451	27%	0.269	S	S	.	.			trans	31.9	66.3	161.1	-39.4	177.7	0	0	0	114.1	C403 K501	C403-I405 PolarHBondContact O-N 3.03Å; C403-I405 VanDerWaalsContact O-N 3.09Å; I405-K501 HydrophobicContact CD1-CB 4.3Å
406	R	41	Very low	55.5	Low	106 Å²	106	55.8 Å²	55.8	40%	0.4	30%	0.298	S	S	.	.			trans	-61.5	150.6	160.4	-70.2	-175.4	164.5	-169.1	-14.5	108.9	P404 A408	P404-R406 PolarHBondContact O-N 3.07Å; P404-R406 VanDerWaalsContact O-N 3.1Å; R406-A408 WeakPolarHBondContact O-CA 3.46Å; R406-A408 PolarHBondContact O-N 2.98Å
407	K	41.1	Very low	53	Low	137 Å²	137	57.9 Å²	57.9	60%	0.596	31%	0.307	S	S	*	.			trans	-45.9	112.8	163.2	-84.5	-162.2	174.5	-172.6	0	106.2	V409 C996 E997	K407-V409 PolarHBondContact O-N 2.82Å; K407-C996 HydrophobicContact CD-CB 3.88Å; K407-C996 VanDerWaalsContact CE-SG 3.55Å; K407-E997 IonicContact NZ-OE2 3.94Å; K407-E997 PolarHBondContact NZ-OE2 3.34Å
408	A	40.6	Very low	50.6	Low	37 Å²	37	62.7 Å²	62.7	31%	0.306	33%	0.332	S	S	.	.			trans	-72.4	97.9	-161.1	0	0	0	0	0	108.5	R406 N410 W506	R406-A408 WeakPolarHBondContact O-CA 3.46Å; R406-A408 PolarHBondContact O-N 2.98Å; A408-N410 PolarHBondContact O-N 2.88Å; A408-W506 HydrophobicContact CB-CB 3.87Å; A408-W506 HydrophobicContact CB-CG 3.94Å
409	V	40.7	Very low	48.2	Very low	79 Å²	79	66.6 Å²	66.6	48%	0.479	35%	0.353	S	S	.	.			trans	-54.7	113.6	-171.1	-174.5	0	0	0	0	108.1	K407 W506	K407-V409 PolarHBondContact O-N 2.82Å; V409-W506 PolarHBondContact O-NE1 2.87Å
410	N	41.3	Very low	45.9	Very low	42 Å²	42	69.9 Å²	69.9	23%	0.225	38%	0.376	C	S	.	.			trans	-57.6	123.1	-175.3	178.4	-6.8	0	0	0	107.5	A408 L412 F413	A408-N410 PolarHBondContact O-N 2.88Å; N410-L412 PolarHBondContact O-N 2.97Å; N410-L412 WeakPolarHBondContact OD1-CB 3.35Å; N410-L412 WeakPolarHBondContact OD1-CG 3.49Å; N410-L412 PolarHBondContact OD1-N 2.86Å; N410-F413 HydrophobicContact CB-CD2 4.05Å; N410-F413 PolarHBondContact O-N 3.02Å
411	P	45.7	Very low	44	Very low	7 Å²	7	75.4 Å²	75.4	5%	0.045	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.7	-175.3	21.6	-33.3	0	0	0	113.1	F413 F417 H509 T513 L775	P411-F413 VanDerWaalsContact C-N 3.29Å; P411-F413 PolarHBondContact O-N 3.14Å; P411-F417 HydrophobicContact CB-CE2 4.45Å; P411-H509 HydrophobicContact CG-CB 4.21Å; P411-T513 HydrophobicContact CB-CG2 4.44Å; P411-L775 VanDerWaalsContact O-CD2 3.25Å; P411-L775 WeakPolarHBondContact O-CD2 3.28Å
412	L	39.8	Very low	42.2	Very low	55 Å²	55	75 Å²	75	29%	0.288	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.9	174	-57.9	176.3	0	0	0	114.7	N410 V519 L780	N410-L412 PolarHBondContact O-N 2.97Å; N410-L412 WeakPolarHBondContact OD1-CB 3.35Å; N410-L412 WeakPolarHBondContact OD1-CG 3.49Å; N410-L412 PolarHBondContact OD1-N 2.86Å; L412-V519 HydrophobicContact CD1-CG2 4.19Å; L412-V519 HydrophobicContact CD2-CG2 4.24Å; L412-L780 HydrophobicContact CD2-CD2 3.78Å
413	F	38.1	Very low	40.6	Very low	148 Å²	148	77.2 Å²	77.2	65%	0.649	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	2.1	-169.6	-64.7	-64.9	0	0	0	115.3	N410 P411 S415	N410-F413 HydrophobicContact CB-CD2 4.05Å; N410-F413 PolarHBondContact O-N 3.02Å; P411-F413 VanDerWaalsContact C-N 3.29Å; P411-F413 PolarHBondContact O-N 3.14Å; F413-S415 PolarHBondContact O-N 2.99Å
414	S	39	Very low	39.5	Very low	20 Å²	20	79.7 Å²	79.7	14%	0.14	43%	0.426	C	S	.	.			trans	-84.4	96.7	-178.9	167.5	0	0	0	0	112	H416 F417	S414-H416 PolarHBondContact O-N 2.91Å; S414-F417 WeakPolarHBondContact O-CB 3.21Å; S414-F417 VanDerWaalsContact O-CD2 3.22Å; S414-F417 WeakPolarHBondContact O-CD2 3.36Å; S414-F417 PolarHBondContact O-N 3.16Å
415	S	34.6	Very low	39	Very low	82 Å²	82	76.4 Å²	76.4	57%	0.573	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-54.8	-22.6	-179.2	57.4	0	0	0	0	115.5	F413 F417 I418	F413-S415 PolarHBondContact O-N 2.99Å; S415-F417 PolarHBondContact O-N 3.01Å; S415-I418 WeakPolarHBondContact O-CB 3.14Å; S415-I418 PolarHBondContact O-N 3.45Å
416	H	37.9	Very low	38.6	Very low	130 Å²	130	75.1 Å²	75.1	60%	0.602	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-56.3	-18.5	172.8	-58.9	-55.8	0	0	0	114.3	S414 I418	S414-H416 PolarHBondContact O-N 2.91Å; H416-I418 PolarHBondContact O-N 3.21Å
417	F	35.8	Very low	38.5	Very low	44 Å²	44	70.5 Å²	70.5	19%	0.193	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-73.9	-3	175.4	-77.9	-60.4	0	0	0	115.2	P411 S414 S415 A428 T430 L775	P411-F417 HydrophobicContact CB-CE2 4.45Å; S414-F417 WeakPolarHBondContact O-CB 3.21Å; S414-F417 VanDerWaalsContact O-CD2 3.22Å; S414-F417 WeakPolarHBondContact O-CD2 3.36Å; S414-F417 PolarHBondContact O-N 3.16Å; S415-F417 PolarHBondContact O-N 3.01Å; F417-A428 HydrophobicContact CE1-CB 3.64Å; F417-A428 HydrophobicContact CZ-CB 3.99Å; F417-T430 HydrophobicContact CE2-CG2 4.4Å; F417-T430 HydrophobicContact CZ-CG2 4.12Å; F417-L775 HydrophobicContact CB-CB 4.3Å; F417-L775 HydrophobicContact CB-CD1 3.86Å; F417-L775 HydrophobicContact CB-CD2 3.77Å; F417-L775 HydrophobicContact CB-CG 4.15Å; F417-L775 HydrophobicContact CD1-CD1 3.33Å; F417-L775 HydrophobicContact CD1-CD2 3.8Å; F417-L775 HydrophobicContact CD1-CG 4.16Å; F417-L775 HydrophobicContact CD2-CD1 4.38Å; F417-L775 HydrophobicContact CD2-CD2 3.23Å; F417-L775 HydrophobicContact CD2-CG 4.36Å; F417-L775 HydrophobicContact CE1-CD1 3.86Å; F417-L775 HydrophobicContact CE1-CD2 4.13Å; F417-L775 HydrophobicContact CE2-CD2 3.63Å; F417-L775 HydrophobicContact CG-CD1 3.63Å; F417-L775 HydrophobicContact CG-CD2 3.33Å; F417-L775 HydrophobicContact CG-CG 4Å; F417-L775 HydrophobicContact CZ-CD2 4.07Å
418	I	36.3	Very low	38.5	Very low	108 Å²	108	65.1 Å²	65.1	55%	0.554	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-99.6	-4.1	-175.9	-55.5	172.8	0	0	0	111.7	S415 H416 S420	S415-I418 WeakPolarHBondContact O-CB 3.14Å; S415-I418 PolarHBondContact O-N 3.45Å; H416-I418 PolarHBondContact O-N 3.21Å; I418-S420 PolarHBondContact O-N 3.32Å; I418-S420 VanDerWaalsContact O-N 3.12Å
419	N	34.3	Very low	38.9	Very low	83 Å²	83	64.6 Å²	64.6	44%	0.444	36%	0.36	S	S	.	.			trans	-67.8	108.9	-178.8	-84.7	-2	0	0	0	112.7	D421 F422	N419-D421 PolarHBondContact O-N 3.4Å; N419-F422 HydrophobicContact CB-CD2 4.16Å; N419-F422 PolarHBondContact O-N 3.18Å
420	S	36.1	Very low	39.4	Very low	75 Å²	75	61.7 Å²	61.7	52%	0.524	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-25.8	174.3	45.8	0	0	0	0	115.7	I418 F422	I418-S420 PolarHBondContact O-N 3.32Å; I418-S420 VanDerWaalsContact O-N 3.12Å; S420-F422 VanDerWaalsContact C-N 3.26Å; S420-F422 PolarHBondContact O-N 3.17Å
421	D	37	Very low	40.1	Very low	135 Å²	135	61.6 Å²	61.6	72%	0.722	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.8	-168.3	-52.9	-6.5	0	0	0	112	N419 S423	N419-D421 PolarHBondContact O-N 3.4Å; D421-S423 PolarHBondContact O-N 2.71Å
422	F	38.7	Very low	41.2	Very low	56 Å²	56	62.8 Å²	62.8	25%	0.246	35%	0.349	C	S	.	.	S	Bend	trans	-86.7	89.8	175.9	-85.1	-114.7	0	0	0	110.5	N419 S420 N424 R446	N419-F422 HydrophobicContact CB-CD2 4.16Å; N419-F422 PolarHBondContact O-N 3.18Å; S420-F422 VanDerWaalsContact C-N 3.26Å; S420-F422 PolarHBondContact O-N 3.17Å; F422-N424 PolarHBondContact O-N 2.97Å; F422-R446 VanDerWaalsContact CD1-NH1 3.27Å
423	S	35.2	Very low	43	Very low	75 Å²	75	60.5 Å²	60.5	52%	0.524	34%	0.336	S	S	.	.			trans	-52	113.4	-177.9	64.9	0	0	0	0	113.7	D421 S425	D421-S423 PolarHBondContact O-N 2.71Å; S423-S425 VanDerWaalsContact O-CB 3.25Å; S423-S425 WeakPolarHBondContact O-CB 3.33Å; S423-S425 PolarHBondContact O-N 2.92Å; S423-S425 PolarHBondContact O-OG 2.79Å
424	N	36.6	Very low	45.2	Very low	79 Å²	79	53.7 Å²	53.7	42%	0.422	31%	0.307	S	S	.	.	S	Bend	trans	3.7	69.5	168.2	-43.5	34.5	0	0	0	114.7	F422 D769 Q772	F422-N424 PolarHBondContact O-N 2.97Å; N424-D769 PolarHBondContact ND2-OD1 3.34Å; N424-Q772 VanDerWaalsContact ND2-CD 3.27Å; N424-Q772 PolarHBondContact ND2-NE2 2.82Å; N424-Q772 PolarHBondContact ND2-OE1 3.39Å
425	S	39.2	Very low	47.4	Very low	19 Å²	19	52.7 Å²	52.7	13%	0.133	30%	0.3	C	S	.	.			trans	-150.4	141.2	-176.3	56.6	0	0	0	0	112.4	S423 C427 N444	S423-S425 VanDerWaalsContact O-CB 3.25Å; S423-S425 WeakPolarHBondContact O-CB 3.33Å; S423-S425 PolarHBondContact O-N 2.92Å; S423-S425 PolarHBondContact O-OG 2.79Å; S425-C427 PolarHBondContact O-N 3.47Å; S425-N444 WeakPolarHBondContact CB-ND2 3.1Å
426	P	41	Very low	49.8	Very low	61 Å²	61	50.2 Å²	50.2	40%	0.396	28%	0.279	S	S	.	.			trans	-73.8	15.9	-166.7	31.2	-37.9	0	0	0	115.3	A428	P426-A428 PolarHBondContact O-N 3.21Å
427	C	40.4	Very low	52	Low	9 Å²	9	44.1 Å²	44.1	6%	0.061	25%	0.251	C	S	.	.			trans	-75.2	72.7	177.3	-70.9	0	0	0	0	111.1	S425 L429 D440 L441	S425-C427 PolarHBondContact O-N 3.47Å; C427-L429 HydrophobicContact CB-CG 4.34Å; C427-L429 PolarHBondContact O-N 3.15Å; C427-D440 WeakPolarHBondContact SG-CB 3.34Å; C427-L441 HydrophobicContact CB-CD2 4.34Å
428	A	40.5	Very low	54.3	Low	24 Å²	24	42 Å²	42	20%	0.198	24%	0.242	C	C	.	.			trans	-70.1	72.6	172	0	0	0	0	0	111.7	F417 P426 T430	F417-A428 HydrophobicContact CE1-CB 3.64Å; F417-A428 HydrophobicContact CZ-CB 3.99Å; P426-A428 PolarHBondContact O-N 3.21Å; A428-T430 PolarHBondContact O-N 3.41Å
429	L	48.2	Very low	56.7	Low	25 Å²	25	38.3 Å²	38.3	13%	0.131	22%	0.222	C	C	.	.			trans	-76.4	84.7	-176.2	-67.3	-176.9	0	0	0	112.1	E147 C427 I433 D437 L441	E147-L429 HydrophobicContact CB-CD1 3.8Å; E147-L429 VanDerWaalsContact O-CD1 3.32Å; E147-L429 WeakPolarHBondContact O-CD1 3.36Å; C427-L429 HydrophobicContact CB-CG 4.34Å; C427-L429 PolarHBondContact O-N 3.15Å; L429-I433 HydrophobicContact CD2-CG1 4.32Å; L429-D437 HydrophobicContact CD2-CB 4.41Å; L429-L441 HydrophobicContact CD1-CD1 4.21Å; L429-L441 HydrophobicContact CD1-CD2 4.22Å; L429-L441 HydrophobicContact CD2-CD1 4.42Å
430	T	52.4	Low	58.8	Low	18 Å²	18	35 Å²	35	11%	0.11	20%	0.204	C	C	.	.	S	Bend	trans	-74.9	-178.4	149.7	76.1	0	0	0	0	109.9	L148 F417 A428 M432 W506	L148-T430 WeakPolarHBondContact CD2-O 3.14Å; F417-T430 HydrophobicContact CE2-CG2 4.4Å; F417-T430 HydrophobicContact CZ-CG2 4.12Å; A428-T430 PolarHBondContact O-N 3.41Å; T430-M432 PolarHBondContact O-N 2.8Å; T430-M432 PolarHBondContact OG1-N 3.45Å; T430-W506 HydrophobicContact CG2-CZ2 3.66Å; T430-W506 WeakPolarHBondContact OG1-CH2 3.44Å; T430-W506 WeakPolarHBondContact OG1-CZ2 3.45Å
431	T	55.3	Low	61	Low	40 Å²	40	31.4 Å²	31.4	25%	0.245	18%	0.179	C	C	.	.	S	Bend	trans	-63	-5.6	175.2	53.6	0	0	0	0	115	C403	C403-T431 WeakPolarHBondContact CB-O 3.47Å; C403-T431 PolarHBondContact SG-O 2.82Å; C403-T431 VanDerWaalsContact SG-O 3.39Å
432	M	68.6	Low	63.2	Low	33 Å²	33	25 Å²	25	16%	0.163	15%	0.145	C	C	.	.			trans	-113.3	126.2	179.4	-175.9	175.9	171.5	0	0	111.9	T430 Y502 P503 W506 L507	T430-M432 PolarHBondContact O-N 2.8Å; T430-M432 PolarHBondContact OG1-N 3.45Å; M432-Y502 HydrophobicContact CE-CD1 3.56Å; M432-Y502 HydrophobicContact CE-CE1 4.44Å; M432-Y502 HydrophobicContact CE-CG 4.35Å; M432-P503 HydrophobicContact CE-CG 3.99Å; M432-P503 HydrophobicContact SD-CG 3.46Å; M432-P503 WeakPolarHBondContact SD-CG 3.41Å; M432-W506 HydrophobicContact CB-CE3 4.33Å; M432-W506 HydrophobicContact CB-CH2 3.94Å; M432-W506 HydrophobicContact CB-CZ3 3.79Å; M432-W506 HydrophobicContact CE-CE3 4.19Å; M432-W506 HydrophobicContact CE-CZ3 4.22Å; M432-W506 HydrophobicContact CG-CE3 4.17Å; M432-W506 HydrophobicContact CG-CH2 4.29Å; M432-W506 HydrophobicContact CG-CZ3 3.67Å; M432-W506 HydrophobicContact SD-CD2 4.3Å; M432-W506 HydrophobicContact SD-CE3 3.38Å; M432-W506 HydrophobicContact SD-CZ3 3.51Å; M432-W506 VanDerWaalsContact SD-CZ3 3.51Å; M432-L507 HydrophobicContact CE-CD1 4.13Å; M432-L507 HydrophobicContact CE-CD2 4.23Å; M432-L507 HydrophobicContact CE-CG 4.12Å
433	I	77.8	Confident	65.2	Low	6 Å²	6	25.1 Å²	25.1	3%	0.031	15%	0.148	C	C	.	.			trans	-110.9	143.7	-173.3	-76.9	165.7	0	0	0	111.2	L144 L148 F396 C399 L429 D437 L438	L144-I433 HydrophobicContact CD1-CD1 3.96Å; L144-I433 HydrophobicContact CD2-CD1 4.38Å; L144-I433 HydrophobicContact CG-CD1 4.39Å; L148-I433 HydrophobicContact CD1-CD1 3.71Å; L148-I433 HydrophobicContact CD2-CD1 3.64Å; L148-I433 HydrophobicContact CD2-CG1 3.99Å; L148-I433 HydrophobicContact CG-CD1 3.9Å; F396-I433 HydrophobicContact CD2-CG2 4.03Å; F396-I433 HydrophobicContact CE2-CG2 4.26Å; C399-I433 HydrophobicContact CB-CD1 4.25Å; L429-I433 HydrophobicContact CD2-CG1 4.32Å; I433-D437 HydrophobicContact CG2-CB 4.28Å; I433-L438 HydrophobicContact CG2-CD1 4.11Å; I433-L438 HydrophobicContact CG2-CD2 4.01Å; I433-L438 HydrophobicContact CG2-CG 3.67Å
434	T	84	Confident	67	Low	5 Å²	5	24.8 Å²	24.8	3%	0.031	14%	0.141	C	C	.	.			trans	-106.8	165.6	167	69.7	0	0	0	0	111	K436 D437 L438 L507 E560	T434-K436 PolarHBondContact O-N 2.7Å; T434-D437 WeakPolarHBondContact CB-OD2 3.46Å; T434-D437 PolarHBondContact N-OD2 3.32Å; T434-D437 WeakPolarHBondContact O-CB 3.24Å; T434-D437 PolarHBondContact O-N 3.46Å; T434-D437 VanDerWaalsContact O-N 3.15Å; T434-D437 VanDerWaalsContact OG1-CG 3.23Å; T434-D437 PolarHBondContact OG1-N 2.84Å; T434-D437 PolarHBondContact OG1-OD2 2.75Å; T434-L438 PolarHBondContact O-N 2.99Å; T434-L507 HydrophobicContact CG2-CD2 3.83Å; T434-E560 HydrophobicContact CG2-CB 4Å
435	L	86.2	Confident	68.8	Low	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-29.4	174.5	-84.2	-170.3	0	0	0	112.5	F396 D437 L438 Q439 I480 L483 A484 V557	F396-L435 HydrophobicContact CB-CD2 4.08Å; F396-L435 HydrophobicContact CD1-CD2 3.66Å; F396-L435 HydrophobicContact CD1-CG 4.07Å; F396-L435 HydrophobicContact CD2-CD2 3.81Å; F396-L435 HydrophobicContact CD2-CG 4.33Å; F396-L435 HydrophobicContact CE1-CD1 4.48Å; F396-L435 HydrophobicContact CE1-CD2 3.94Å; F396-L435 HydrophobicContact CE1-CG 3.8Å; F396-L435 HydrophobicContact CE2-CD2 4.1Å; F396-L435 HydrophobicContact CE2-CG 4.1Å; F396-L435 HydrophobicContact CG-CD2 3.57Å; F396-L435 HydrophobicContact CG-CG 4.31Å; F396-L435 HydrophobicContact CZ-CD2 4.16Å; F396-L435 HydrophobicContact CZ-CG 3.82Å; L435-D437 VanDerWaalsContact C-N 3.31Å; L435-D437 PolarHBondContact O-N 2.99Å; L435-L438 HydrophobicContact CD2-CD1 4.39Å; L435-L438 PolarHBondContact O-N 3.29Å; L435-Q439 PolarHBondContact O-N 2.89Å; L435-I480 HydrophobicContact CB-CD1 3.92Å; L435-L483 HydrophobicContact CD1-CB 4.33Å; L435-L483 HydrophobicContact CD2-CB 4.45Å; L435-A484 HydrophobicContact CD1-CB 4.15Å; L435-V557 HydrophobicContact CD1-CG1 3.45Å; L435-V557 VanDerWaalsContact CD1-CG1 3.45Å; L435-V557 HydrophobicContact CG-CG1 4.44Å
436	K	85.1	Confident	70.7	Confident	29 Å²	29	32 Å²	32	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-39.7	171.1	-177.7	55.7	161.6	77.3	0	112.2	T434 Q439 D440 E560 I941	T434-K436 PolarHBondContact O-N 2.7Å; K436-Q439 WeakPolarHBondContact O-CB 3.37Å; K436-Q439 PolarHBondContact O-N 2.93Å; K436-D440 IonicContact NZ-OD1 3.28Å; K436-D440 PolarHBondContact NZ-OD1 2.97Å; K436-D440 IonicContact NZ-OD2 2.72Å; K436-D440 PolarHBondContact NZ-OD2 3.36Å; K436-D440 PolarHBondContact O-N 2.9Å; K436-E560 HydrophobicContact CB-CG 4.23Å; K436-E560 PolarHBondContact N-OE1 3.08Å; K436-I941 WeakPolarHBondContact CE-O 3.38Å
437	D	83.1	Confident	72.8	Confident	3 Å²	3	29 Å²	29	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-46.6	178.3	-63.3	-52.3	0	0	0	112.2	L429 I433 T434 L435 Q439 D440 L441 R510	L429-D437 HydrophobicContact CD2-CB 4.41Å; I433-D437 HydrophobicContact CG2-CB 4.28Å; T434-D437 WeakPolarHBondContact CB-OD2 3.46Å; T434-D437 PolarHBondContact N-OD2 3.32Å; T434-D437 WeakPolarHBondContact O-CB 3.24Å; T434-D437 PolarHBondContact O-N 3.46Å; T434-D437 VanDerWaalsContact O-N 3.15Å; T434-D437 VanDerWaalsContact OG1-CG 3.23Å; T434-D437 PolarHBondContact OG1-N 2.84Å; T434-D437 PolarHBondContact OG1-OD2 2.75Å; L435-D437 VanDerWaalsContact C-N 3.31Å; L435-D437 PolarHBondContact O-N 2.99Å; D437-Q439 VanDerWaalsContact C-N 3.27Å; D437-Q439 PolarHBondContact O-N 2.99Å; D437-D440 PolarHBondContact O-N 2.97Å; D437-L441 WeakPolarHBondContact O-CG 3.42Å; D437-L441 PolarHBondContact O-N 3.39Å; D437-R510 IonicContact OD1-CZ 3.64Å; D437-R510 IonicContact OD1-NH1 2.6Å; D437-R510 IonicContact OD1-NH2 2.63Å; D437-R510 PolarHBondContact OD1-NH2 3.46Å; D437-R510 IonicContact OD2-CZ 3.73Å; D437-R510 IonicContact OD2-NH1 2.8Å; D437-R510 PolarHBondContact OD2-NH1 3.21Å; D437-R510 IonicContact OD2-NH2 3.27Å; D437-R510 PolarHBondContact OD2-NH2 3.16Å
438	L	85.2	Confident	74.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-33.8	175.7	-64.4	178.8	0	0	0	111.9	L144 V392 F396 I433 T434 L435 L441 C442 L447	L144-L438 HydrophobicContact CD1-CD2 3.81Å; L144-L438 HydrophobicContact CD2-CD2 3.81Å; V392-L438 HydrophobicContact CG1-CB 3.99Å; V392-L438 HydrophobicContact CG1-CD1 4.04Å; F396-L438 HydrophobicContact CB-CD1 3.56Å; F396-L438 HydrophobicContact CD2-CD1 3.78Å; F396-L438 HydrophobicContact CG-CD1 4.06Å; I433-L438 HydrophobicContact CG2-CD1 4.11Å; I433-L438 HydrophobicContact CG2-CD2 4.01Å; I433-L438 HydrophobicContact CG2-CG 3.67Å; T434-L438 PolarHBondContact O-N 2.99Å; L435-L438 HydrophobicContact CD2-CD1 4.39Å; L435-L438 PolarHBondContact O-N 3.29Å; L438-L441 HydrophobicContact CD2-CD1 4.48Å; L438-C442 PolarHBondContact O-N 3.48Å; L438-C442 VanDerWaalsContact O-N 3.14Å; L438-C442 PolarHBondContact O-SG 2.8Å; L438-L447 HydrophobicContact CD2-CD2 4.24Å
439	Q	85.8	Confident	76.9	Confident	29 Å²	29	28.5 Å²	28.5	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-44.2	172.5	-158.9	-161.4	11.9	0	0	111.3	L435 K436 D437 C442 N443 P478 I480 L483	L435-Q439 PolarHBondContact O-N 2.89Å; K436-Q439 WeakPolarHBondContact O-CB 3.37Å; K436-Q439 PolarHBondContact O-N 2.93Å; D437-Q439 VanDerWaalsContact C-N 3.27Å; D437-Q439 PolarHBondContact O-N 2.99Å; Q439-C442 CarbonylContact O-C 3.58Å; Q439-C442 WeakPolarHBondContact O-CB 3.24Å; Q439-C442 PolarHBondContact O-N 3.44Å; Q439-N443 PolarHBondContact O-N 3.4Å; Q439-N443 PolarHBondContact O-ND2 3.36Å; Q439-P478 HydrophobicContact CG-CG 4.42Å; Q439-P478 WeakPolarHBondContact CG-O 3.48Å; Q439-P478 PolarHBondContact NE2-O 3.1Å; Q439-I480 HydrophobicContact CB-CD1 4.17Å; Q439-L483 HydrophobicContact CB-CD1 3.97Å; Q439-L483 HydrophobicContact CG-CD1 4.22Å
440	D	78.8	Confident	78.3	Confident	14 Å²	14	29.2 Å²	29.2	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-69.8	-37.6	-179.8	-72.5	-18.9	0	0	0	112.5	C427 K436 D437 C442 N443 N444	C427-D440 WeakPolarHBondContact SG-CB 3.34Å; K436-D440 IonicContact NZ-OD1 3.28Å; K436-D440 PolarHBondContact NZ-OD1 2.97Å; K436-D440 IonicContact NZ-OD2 2.72Å; K436-D440 PolarHBondContact NZ-OD2 3.36Å; K436-D440 PolarHBondContact O-N 2.9Å; D437-D440 PolarHBondContact O-N 2.97Å; D440-C442 VanDerWaalsContact C-N 3.26Å; D440-C442 PolarHBondContact O-N 2.83Å; D440-N443 WeakPolarHBondContact O-CB 3.44Å; D440-N443 PolarHBondContact O-N 2.96Å; D440-N443 VanDerWaalsContact O-N 3.1Å; D440-N443 PolarHBondContact OD1-ND2 2.79Å; D440-N444 VanDerWaalsContact O-CB 3.31Å; D440-N444 WeakPolarHBondContact O-CB 3.5Å; D440-N444 PolarHBondContact O-N 2.95Å; D440-N444 PolarHBondContact O-ND2 3.34Å
441	L	81.1	Confident	79.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-34.6	170.5	-68	176.5	0	0	0	112.2	L144 E147 C427 L429 D437 L438 R445 R446 L447	L144-L441 HydrophobicContact CD1-CD1 3.76Å; E147-L441 HydrophobicContact CG-CD2 4.49Å; E147-L441 WeakPolarHBondContact OE2-CD2 3.49Å; C427-L441 HydrophobicContact CB-CD2 4.34Å; L429-L441 HydrophobicContact CD1-CD1 4.21Å; L429-L441 HydrophobicContact CD1-CD2 4.22Å; L429-L441 HydrophobicContact CD2-CD1 4.42Å; D437-L441 WeakPolarHBondContact O-CG 3.42Å; D437-L441 PolarHBondContact O-N 3.39Å; L438-L441 HydrophobicContact CD2-CD1 4.48Å; L441-R445 CarbonylContact O-C 3.6Å; L441-R445 PolarHBondContact O-N 2.89Å; L441-R446 HydrophobicContact CD2-CB 3.89Å; L441-R446 PolarHBondContact O-N 2.72Å; L441-L447 HydrophobicContact CB-CB 3.74Å; L441-L447 PolarHBondContact O-N 3.06Å
442	C	83.8	Confident	79.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.8	-37.4	170.6	-73.1	0	0	0	0	113	L438 Q439 D440 R445 F449 P477 P478	L438-C442 PolarHBondContact O-N 3.48Å; L438-C442 VanDerWaalsContact O-N 3.14Å; L438-C442 PolarHBondContact O-SG 2.8Å; Q439-C442 CarbonylContact O-C 3.58Å; Q439-C442 WeakPolarHBondContact O-CB 3.24Å; Q439-C442 PolarHBondContact O-N 3.44Å; D440-C442 VanDerWaalsContact C-N 3.26Å; D440-C442 PolarHBondContact O-N 2.83Å; C442-R445 PolarHBondContact O-N 2.92Å; C442-F449 HydrophobicContact CB-CB 4.07Å; C442-F449 HydrophobicContact CB-CG 4.47Å; C442-F449 VanDerWaalsContact SG-CB 3.55Å; C442-P477 HydrophobicContact CB-CB 4.46Å; C442-P478 HydrophobicContact CB-CG 4.15Å
443	N	80.1	Confident	79.9	Confident	58 Å²	58	32.6 Å²	32.6	31%	0.31	16%	0.158	S	C	.	.	H	α-helix	trans	-61.7	-47.4	175.4	-68.2	-33.8	0	0	0	110.5	Q439 D440 R445 P477	Q439-N443 PolarHBondContact O-N 3.4Å; Q439-N443 PolarHBondContact O-ND2 3.36Å; D440-N443 WeakPolarHBondContact O-CB 3.44Å; D440-N443 PolarHBondContact O-N 2.96Å; D440-N443 VanDerWaalsContact O-N 3.1Å; D440-N443 PolarHBondContact OD1-ND2 2.79Å; N443-R445 PolarHBondContact O-N 2.93Å; N443-P477 WeakPolarHBondContact OD1-CB 3.37Å; N443-P477 WeakPolarHBondContact OD1-CG 3.38Å
444	N	73.6	Confident	79.5	Confident	69 Å²	69	37.1 Å²	37.1	37%	0.369	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.1	-177.5	-58.1	-21.9	0	0	0	112.9	S425 D440 R446	S425-N444 WeakPolarHBondContact CB-ND2 3.1Å; D440-N444 VanDerWaalsContact O-CB 3.31Å; D440-N444 WeakPolarHBondContact O-CB 3.5Å; D440-N444 PolarHBondContact O-N 2.95Å; D440-N444 PolarHBondContact O-ND2 3.34Å; N444-R446 HydrophobicContact CB-CG 4.2Å; N444-R446 PolarHBondContact O-N 2.86Å; N444-R446 VanDerWaalsContact O-N 3.1Å
445	R	75.2	Confident	78.8	Confident	197 Å²	197	40 Å²	40	74%	0.743	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	7.7	-178.1	-50.3	-178.8	-178.4	-176.3	1.7	116	L441 C442 N443	L441-R445 CarbonylContact O-C 3.6Å; L441-R445 PolarHBondContact O-N 2.89Å; C442-R445 PolarHBondContact O-N 2.92Å; N443-R445 PolarHBondContact O-N 2.93Å
446	R	79.1	Confident	78.1	Confident	51 Å²	51	41.2 Å²	41.2	19%	0.192	21%	0.21	C	C	.	.	S	Bend	trans	-65.9	-38	176.1	-62.6	-177.6	69.4	157.7	-1.9	111.3	E147 F422 L441 N444	E147-R446 VanDerWaalsContact CD-NH2 3.27Å; E147-R446 IonicContact OE1-CZ 2.67Å; E147-R446 VanDerWaalsContact OE1-CZ 3.32Å; E147-R446 IonicContact OE1-NE 3.52Å; E147-R446 PolarHBondContact OE1-NE 3.33Å; E147-R446 IonicContact OE1-NH2 2.91Å; E147-R446 PolarHBondContact OE1-NH2 3.37Å; E147-R446 IonicContact OE2-CZ 2.82Å; E147-R446 IonicContact OE2-NE 3.53Å; E147-R446 PolarHBondContact OE2-NE 3.39Å; E147-R446 IonicContact OE2-NH2 2.81Å; E147-R446 PolarHBondContact OE2-NH2 3.33Å; F422-R446 VanDerWaalsContact CD1-NH1 3.27Å; L441-R446 HydrophobicContact CD2-CB 3.89Å; L441-R446 PolarHBondContact O-N 2.72Å; N444-R446 HydrophobicContact CB-CG 4.2Å; N444-R446 PolarHBondContact O-N 2.86Å; N444-R446 VanDerWaalsContact O-N 3.1Å
447	L	83.7	Confident	77.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-96.9	121.6	167.2	-171.9	63.7	0	0	0	110.1	Q140 C143 L144 L395 L438 L441 F449	Q140-L447 HydrophobicContact CB-CD1 3.96Å; Q140-L447 HydrophobicContact CG-CD1 4.35Å; Q140-L447 WeakPolarHBondContact O-CD1 3.21Å; C143-L447 HydrophobicContact CB-CD1 4.28Å; L144-L447 HydrophobicContact CB-CD1 4.27Å; L395-L447 HydrophobicContact CD1-CD1 4.49Å; L438-L447 HydrophobicContact CD2-CD2 4.24Å; L441-L447 HydrophobicContact CB-CB 3.74Å; L441-L447 PolarHBondContact O-N 3.06Å; L447-F449 PolarHBondContact O-N 3.32Å; L447-F449 VanDerWaalsContact O-N 3.11Å
448	P	82.5	Confident	75.9	Confident	20 Å²	20	48.6 Å²	48.6	13%	0.13	26%	0.261	C	S	.	.	S	Bend	trans	-65.4	113	-177.8	-26	36	0	0	0	113.6	Q140 V452 L455	Q140-P448 HydrophobicContact CG-CB 4.5Å; Q140-P448 WeakPolarHBondContact CG-O 3.33Å; Q140-P448 PolarHBondContact NE2-O 3.38Å; P448-V452 HydrophobicContact CB-CG2 4.22Å; P448-L455 HydrophobicContact CB-CD1 3.56Å; P448-L455 HydrophobicContact CG-CD1 4Å
449	F	84.5	Confident	74.5	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.009	29%	0.293	C	S	.	.			trans	-138.8	-41.2	176.7	-173.3	-84.8	0	0	0	112.6	M388 E389 V392 C442 L447 V452 R474 R476 P478	M388-F449 HydrophobicContact CB-CD2 4.47Å; M388-F449 HydrophobicContact CB-CE2 3.77Å; M388-F449 HydrophobicContact CB-CZ 4.09Å; M388-F449 HydrophobicContact CE-CD2 4.49Å; E389-F449 HydrophobicContact CG-CE2 4.36Å; E389-F449 HydrophobicContact CG-CZ 4.12Å; E389-F449 WeakPolarHBondContact OE1-CZ 3.11Å; V392-F449 HydrophobicContact CG2-CD2 3.84Å; V392-F449 HydrophobicContact CG2-CE2 4.09Å; C442-F449 HydrophobicContact CB-CB 4.07Å; C442-F449 HydrophobicContact CB-CG 4.47Å; C442-F449 VanDerWaalsContact SG-CB 3.55Å; L447-F449 PolarHBondContact O-N 3.32Å; L447-F449 VanDerWaalsContact O-N 3.11Å; F449-V452 VanDerWaalsContact C-CG2 3.44Å; F449-V452 WeakPolarHBondContact O-CG2 3.43Å; F449-R474 HydrophobicContact CD1-CB 3.98Å; F449-R474 HydrophobicContact CD1-CG 4.16Å; F449-R474 HydrophobicContact CE1-CB 3.72Å; F449-R474 HydrophobicContact CE1-CG 3.54Å; F449-R474 HydrophobicContact CZ-CG 3.86Å; F449-R474 WeakPolarHBondContact O-CB 3.19Å; F449-R476 WeakPolarHBondContact CE1-O 3.11Å; F449-P478 HydrophobicContact CD2-CG 4.44Å; F449-P478 HydrophobicContact CE1-CB 4.05Å; F449-P478 HydrophobicContact CE1-CG 4.24Å; F449-P478 HydrophobicContact CE2-CB 4.09Å; F449-P478 HydrophobicContact CE2-CG 4.16Å; F449-P478 HydrophobicContact CZ-CB 3.66Å; F449-P478 HydrophobicContact CZ-CG 4.05Å
450	I	79.1	Confident	73	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.205	29%	0.289	C	S	.	.	S	Bend	trans	-86.2	144.5	175.2	-51.2	174.7	0	0	0	109.2	V452 P477	I450-V452 PolarHBondContact O-N 3.45Å; I450-P477 HydrophobicContact CD1-CB 4.2Å; I450-P477 HydrophobicContact CD1-CG 4.41Å
451	S	68	Low	71.9	Confident	79 Å²	79	51.5 Å²	51.5	55%	0.552	29%	0.292	S	S	*	.	S	Bend	trans	57.8	16.6	174.8	-60.2	0	0	0	0	116.3	Q453 S454 R474	S451-Q453 PolarHBondContact O-N 3.49Å; S451-S454 PolarHBondContact O-N 2.97Å; S451-S454 PolarHBondContact O-OG 2.92Å; S451-R474 PolarHBondContact N-O 3.15Å
452	V	73	Confident	70.4	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.024	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-53.3	-20.9	-171.7	171.5	0	0	0	0	114.9	I136 M388 P448 F449 I450 S454 L455	I136-V452 HydrophobicContact CB-CG1 4.27Å; I136-V452 HydrophobicContact CD1-CG1 3.48Å; I136-V452 VanDerWaalsContact CD1-CG1 3.48Å; I136-V452 HydrophobicContact CG1-CG1 3.41Å; I136-V452 VanDerWaalsContact CG1-CG1 3.41Å; I136-V452 HydrophobicContact CG2-CG1 3.93Å; M388-V452 HydrophobicContact CE-CB 4.42Å; M388-V452 HydrophobicContact CE-CG1 4.44Å; M388-V452 HydrophobicContact CE-CG2 4.08Å; P448-V452 HydrophobicContact CB-CG2 4.22Å; F449-V452 VanDerWaalsContact C-CG2 3.44Å; F449-V452 WeakPolarHBondContact O-CG2 3.43Å; I450-V452 PolarHBondContact O-N 3.45Å; V452-S454 PolarHBondContact O-N 2.84Å; V452-S454 VanDerWaalsContact O-N 3.14Å; V452-L455 HydrophobicContact CG1-CD1 4.43Å; V452-L455 WeakPolarHBondContact O-CB 2.99Å; V452-L455 PolarHBondContact O-N 2.64Å
453	Q	69	Low	68.9	Low	79 Å²	79	57.5 Å²	57.5	37%	0.369	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-53.8	-29.1	169.6	-175.3	171.4	12.6	0	0	113.5	S451 L455 F456 R473	S451-Q453 PolarHBondContact O-N 3.49Å; Q453-L455 PolarHBondContact O-N 2.78Å; Q453-F456 HydrophobicContact CB-CD2 4.43Å; Q453-F456 HydrophobicContact CG-CD2 4.17Å; Q453-F456 PolarHBondContact O-N 3.15Å; Q453-R473 VanDerWaalsContact OE1-CZ 3.28Å
454	S	68.7	Low	67.1	Low	101 Å²	101	64.3 Å²	64.3	71%	0.706	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-75.6	-2.2	177.4	71.7	0	0	0	0	114.5	S451 V452	S451-S454 PolarHBondContact O-N 2.97Å; S451-S454 PolarHBondContact O-OG 2.92Å; V452-S454 PolarHBondContact O-N 2.84Å; V452-S454 VanDerWaalsContact O-N 3.14Å
455	L	70	Confident	66	Low	64 Å²	64	64.5 Å²	64.5	34%	0.335	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-94.5	-11.9	173.8	-63.3	174.9	0	0	0	112.8	F135 R139 P448 V452 Q453	F135-L455 VanDerWaalsContact CE1-O 3.23Å; F135-L455 WeakPolarHBondContact CE1-O 3.45Å; F135-L455 WeakPolarHBondContact CZ-O 3.5Å; R139-L455 HydrophobicContact CG-CD1 4.23Å; P448-L455 HydrophobicContact CB-CD1 3.56Å; P448-L455 HydrophobicContact CG-CD1 4Å; V452-L455 HydrophobicContact CG1-CD1 4.43Å; V452-L455 WeakPolarHBondContact O-CB 2.99Å; V452-L455 PolarHBondContact O-N 2.64Å; Q453-L455 PolarHBondContact O-N 2.78Å
456	F	69.9	Low	65.1	Low	26 Å²	26	62.6 Å²	62.6	11%	0.114	35%	0.351	C	S	.	.	S	Bend	trans	-73.5	141.7	176.5	-67.7	-42.8	0	0	0	111.2	P132 F135 I136 Q453 F461 I472	P132-F456 HydrophobicContact CB-CE1 3.73Å; P132-F456 HydrophobicContact CB-CZ 3.58Å; F135-F456 AromaticContact CD1-CD1 3.69Å; F135-F456 HydrophobicContact CD1-CD1 3.69Å; F135-F456 AromaticContact CD1-CE1 3.88Å; F135-F456 HydrophobicContact CD1-CE1 3.88Å; F135-F456 AromaticContact CE1-CD1 3.98Å; F135-F456 HydrophobicContact CE1-CD1 3.98Å; F135-F456 HydrophobicContact CG-CD1 4.47Å; I136-F456 HydrophobicContact CD1-CE1 4.13Å; I136-F456 HydrophobicContact CD1-CZ 3.72Å; I136-F456 HydrophobicContact CG1-CE1 3.9Å; I136-F456 HydrophobicContact CG1-CZ 4.01Å; Q453-F456 HydrophobicContact CB-CD2 4.43Å; Q453-F456 HydrophobicContact CG-CD2 4.17Å; Q453-F456 PolarHBondContact O-N 3.15Å; F456-F461 HydrophobicContact CB-CD2 3.9Å; F456-F461 AromaticContact CD1-CD2 3.43Å; F456-F461 HydrophobicContact CD1-CD2 3.43Å; F456-F461 VanDerWaalsContact CD1-CD2 3.43Å; F456-F461 AromaticContact CD1-CE2 3.54Å; F456-F461 HydrophobicContact CD1-CE2 3.54Å; F456-F461 HydrophobicContact CD1-CG 4.34Å; F456-F461 HydrophobicContact CD2-CD2 4.41Å; F456-F461 HydrophobicContact CE1-CD2 4.01Å; F456-F461 HydrophobicContact CE1-CE2 4.02Å; F456-F461 AromaticContact CG-CD2 3.68Å; F456-F461 HydrophobicContact CG-CD2 3.68Å; F456-F461 HydrophobicContact CG-CE2 4.24Å; F456-F461 HydrophobicContact CG-CG 4.47Å; F456-I472 HydrophobicContact CE2-CD1 4.35Å; F456-I472 HydrophobicContact CE2-CG2 4.17Å; F456-I472 HydrophobicContact CZ-CD1 4.2Å; F456-I472 HydrophobicContact CZ-CG2 4.26Å
457	P	65	Low	63.8	Low	52 Å²	52	62 Å²	62	34%	0.338	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-60.3	138.2	171.1	-18.5	30.5	0	0	0	110.5	F135 G459 A460	F135-P457 HydrophobicContact CZ-CG 4.48Å; P457-G459 PolarHBondContact O-N 3.37Å; P457-A460 HydrophobicContact CB-CB 3.89Å; P457-A460 HydrophobicContact CG-CB 4.22Å; P457-A460 WeakPolarHBondContact O-CB 3.39Å; P457-A460 PolarHBondContact O-N 3.48Å; P457-A460 VanDerWaalsContact O-N 3.14Å
458	P	58	Low	62.8	Low	135 Å²	135	63.4 Å²	63.4	88%	0.877	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	128.9	-177.7	24.8	-33.7	0	0	0	110.7	A460	P458-A460 PolarHBondContact O-N 2.71Å
459	G	55.6	Low	61.9	Low	64 Å²	64	63.3 Å²	63.3	66%	0.66	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-8.1	-178.9	0	0	0	0	0	116.3	P457 C462	P457-G459 PolarHBondContact O-N 3.37Å; G459-C462 PolarHBondContact O-SG 3.4Å; G459-C462 VanDerWaalsContact O-SG 3.4Å
460	A	54.6	Low	61	Low	7 Å²	7	65.5 Å²	65.5	6%	0.058	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-47.3	-179.9	0	0	0	0	0	112.4	W127 P457 P458 C462	W127-A460 PolarHBondContact NE1-O 3.45Å; P457-A460 HydrophobicContact CB-CB 3.89Å; P457-A460 HydrophobicContact CG-CB 4.22Å; P457-A460 WeakPolarHBondContact O-CB 3.39Å; P457-A460 PolarHBondContact O-N 3.48Å; P457-A460 VanDerWaalsContact O-N 3.14Å; P458-A460 PolarHBondContact O-N 2.71Å; A460-C462 PolarHBondContact O-N 3.39Å
461	F	56.3	Low	60.4	Low	33 Å²	33	63.8 Å²	63.8	15%	0.145	37%	0.368	C	S	.	.			trans	-102.5	73.6	-179.1	-63.9	-77.4	0	0	0	111.7	W127 E131 P132 F135 F456 I463	W127-F461 HydrophobicContact CD2-CD1 4.22Å; W127-F461 HydrophobicContact CD2-CE1 4.27Å; W127-F461 HydrophobicContact CE3-CD1 4.08Å; W127-F461 AromaticContact CE3-CE1 3.66Å; W127-F461 HydrophobicContact CE3-CE1 3.66Å; W127-F461 HydrophobicContact CE3-CZ 4.47Å; W127-F461 HydrophobicContact CG-CD1 4.44Å; W127-F461 HydrophobicContact CZ3-CE1 4.06Å; W127-F461 HydrophobicContact CZ3-CZ 4.44Å; E131-F461 HydrophobicContact CB-CE1 4.17Å; P132-F461 HydrophobicContact CB-CD1 3.85Å; P132-F461 HydrophobicContact CB-CE1 3.85Å; P132-F461 HydrophobicContact CB-CG 4.31Å; P132-F461 HydrophobicContact CB-CZ 4.3Å; P132-F461 HydrophobicContact CG-CD1 4.17Å; P132-F461 HydrophobicContact CG-CE1 4.28Å; F135-F461 HydrophobicContact CB-CE2 4.48Å; F135-F461 HydrophobicContact CB-CZ 4.19Å; F135-F461 HydrophobicContact CG-CE2 4.32Å; F135-F461 HydrophobicContact CG-CZ 4.46Å; F456-F461 HydrophobicContact CB-CD2 3.9Å; F456-F461 AromaticContact CD1-CD2 3.43Å; F456-F461 HydrophobicContact CD1-CD2 3.43Å; F456-F461 VanDerWaalsContact CD1-CD2 3.43Å; F456-F461 AromaticContact CD1-CE2 3.54Å; F456-F461 HydrophobicContact CD1-CE2 3.54Å; F456-F461 HydrophobicContact CD1-CG 4.34Å; F456-F461 HydrophobicContact CD2-CD2 4.41Å; F456-F461 HydrophobicContact CE1-CD2 4.01Å; F456-F461 HydrophobicContact CE1-CE2 4.02Å; F456-F461 AromaticContact CG-CD2 3.68Å; F456-F461 HydrophobicContact CG-CD2 3.68Å; F456-F461 HydrophobicContact CG-CE2 4.24Å; F456-F461 HydrophobicContact CG-CG 4.47Å; F461-I463 PolarHBondContact O-N 2.76Å
462	C	48.6	Very low	60.6	Low	84 Å²	84	60.2 Å²	60.2	57%	0.568	34%	0.342	S	S	*	.			trans	-71.8	74.2	173	-75.8	0	0	0	0	112	G459 A460 R464	G459-C462 PolarHBondContact O-SG 3.4Å; G459-C462 VanDerWaalsContact O-SG 3.4Å; A460-C462 PolarHBondContact O-N 3.39Å; C462-R464 PolarHBondContact O-N 2.77Å
463	I	52.5	Low	60.5	Low	42 Å²	42	65.2 Å²	65.2	22%	0.215	36%	0.361	C	S	.	.			trans	-65.6	102.6	176	-59.6	170.9	0	0	0	109.2	F461 D465 L468 L469 I472	F461-I463 PolarHBondContact O-N 2.76Å; I463-D465 WeakPolarHBondContact CG2-O 3.45Å; I463-L468 HydrophobicContact CG2-CB 4.05Å; I463-L469 HydrophobicContact CB-CG 4.34Å; I463-L469 HydrophobicContact CD1-CD2 3.73Å; I463-L469 HydrophobicContact CD1-CG 4.1Å; I463-L469 HydrophobicContact CG2-CG 4.18Å; I463-I472 HydrophobicContact CD1-CD1 4.09Å
464	R	42.1	Very low	60.8	Low	201 Å²	201	62.1 Å²	62.1	76%	0.758	35%	0.346	S	S	*	.	S	Bend	trans	-69	-29.6	-177.5	-64.2	-174	-176.4	175.7	4.4	113.6	H124 C462	H124-R464 PolarHBondContact O-NH2 2.94Å; C462-R464 PolarHBondContact O-N 2.77Å
465	D	50	Low	61	Low	73 Å²	73	64.9 Å²	64.9	39%	0.39	35%	0.347	S	S	.	.			trans	-101.5	113.9	176.5	175	12.8	0	0	0	111.4	I463 S467 L468	I463-D465 WeakPolarHBondContact CG2-O 3.45Å; D465-S467 VanDerWaalsContact CG-OG 3.23Å; D465-S467 PolarHBondContact O-N 2.62Å; D465-S467 VanDerWaalsContact OD1-CB 3.25Å; D465-S467 WeakPolarHBondContact OD1-CB 3.25Å; D465-S467 PolarHBondContact OD1-N 3.39Å; D465-S467 PolarHBondContact OD1-OG 3Å; D465-S467 PolarHBondContact OD2-OG 3.04Å; D465-L468 HydrophobicContact CB-CD1 3.82Å; D465-L468 HydrophobicContact CB-CG 4.16Å; D465-L468 PolarHBondContact O-N 3.01Å
466	Q	56.6	Low	61.3	Low	157 Å²	157	69.1 Å²	69.1	73%	0.734	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.3	179.5	-60.9	-168.3	15.1	0	0	114	L468 L469	Q466-L468 VanDerWaalsContact C-N 3.31Å; Q466-L469 PolarHBondContact O-N 3.22Å
467	S	53.4	Low	61.7	Low	38 Å²	38	70 Å²	70	27%	0.266	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-40.1	173.2	90.2	0	0	0	0	111.2	D465 L469 S470	D465-S467 VanDerWaalsContact CG-OG 3.23Å; D465-S467 PolarHBondContact O-N 2.62Å; D465-S467 VanDerWaalsContact OD1-CB 3.25Å; D465-S467 WeakPolarHBondContact OD1-CB 3.25Å; D465-S467 PolarHBondContact OD1-N 3.39Å; D465-S467 PolarHBondContact OD1-OG 3Å; D465-S467 PolarHBondContact OD2-OG 3.04Å; S467-L469 VanDerWaalsContact C-N 3.3Å; S467-L469 PolarHBondContact O-N 3.35Å; S467-S470 VanDerWaalsContact O-CB 3.28Å; S467-S470 WeakPolarHBondContact O-CB 3.25Å; S467-S470 PolarHBondContact O-N 2.87Å; S467-S470 PolarHBondContact O-OG 3.32Å
468	L	60.7	Low	62.6	Low	31 Å²	31	67.7 Å²	67.7	16%	0.162	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.5	-176.2	-57.6	169.1	0	0	0	112.2	L129 F382 I463 D465 Q466 S470 L471	L129-L468 HydrophobicContact CD1-CD1 4.03Å; L129-L468 HydrophobicContact CD1-CD2 3.88Å; L129-L468 HydrophobicContact CD1-CG 4.49Å; L129-L468 HydrophobicContact CD2-CB 4.02Å; L129-L468 HydrophobicContact CD2-CD1 3.95Å; L129-L468 HydrophobicContact CD2-CD2 4.36Å; L129-L468 HydrophobicContact CD2-CG 4.32Å; L129-L468 HydrophobicContact CG-CD1 4.35Å; F382-L468 HydrophobicContact CD1-CD2 4.34Å; F382-L468 HydrophobicContact CE1-CD2 3.77Å; F382-L468 HydrophobicContact CZ-CD2 4.48Å; I463-L468 HydrophobicContact CG2-CB 4.05Å; D465-L468 HydrophobicContact CB-CD1 3.82Å; D465-L468 HydrophobicContact CB-CG 4.16Å; D465-L468 PolarHBondContact O-N 3.01Å; Q466-L468 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 2.82Å; L468-L471 HydrophobicContact CD2-CD1 4.05Å; L468-L471 WeakPolarHBondContact O-CB 3.2Å; L468-L471 PolarHBondContact O-N 3.14Å; L468-L471 VanDerWaalsContact O-N 3.14Å
469	L	64.6	Low	63.7	Low	17 Å²	17	64.7 Å²	64.7	9%	0.089	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-27.5	170.1	-84.3	165.5	0	0	0	112.5	I463 Q466 S467 L471 I472 R473	I463-L469 HydrophobicContact CB-CG 4.34Å; I463-L469 HydrophobicContact CD1-CD2 3.73Å; I463-L469 HydrophobicContact CD1-CG 4.1Å; I463-L469 HydrophobicContact CG2-CG 4.18Å; Q466-L469 PolarHBondContact O-N 3.22Å; S467-L469 VanDerWaalsContact C-N 3.3Å; S467-L469 PolarHBondContact O-N 3.35Å; L469-L471 VanDerWaalsContact C-N 3.26Å; L469-L471 PolarHBondContact O-N 3.18Å; L469-I472 PolarHBondContact O-N 3.11Å; L469-R473 VanDerWaalsContact O-CB 3.22Å; L469-R473 WeakPolarHBondContact O-CB 3.38Å; L469-R473 WeakPolarHBondContact O-CG 3.22Å; L469-R473 PolarHBondContact O-N 2.9Å
470	S	65.4	Low	65	Low	49 Å²	49	62.2 Å²	62.2	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-27.4	177.2	73.3	0	0	0	0	113.4	S467 L468 I472	S467-S470 VanDerWaalsContact O-CB 3.28Å; S467-S470 WeakPolarHBondContact O-CB 3.25Å; S467-S470 PolarHBondContact O-N 2.87Å; S467-S470 PolarHBondContact O-OG 3.32Å; L468-S470 PolarHBondContact O-N 2.82Å; S470-I472 VanDerWaalsContact C-N 3.34Å; S470-I472 PolarHBondContact O-N 2.93Å
471	L	67	Low	66.2	Low	4 Å²	4	65.1 Å²	65.1	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-36.3	178.8	-60.7	176.3	0	0	0	111.7	F133 V244 F382 L387 L468 L469 R474	F133-L471 HydrophobicContact CZ-CB 4.25Å; V244-L471 HydrophobicContact CG2-CD1 4.04Å; F382-L471 HydrophobicContact CD1-CD1 4.36Å; F382-L471 HydrophobicContact CD1-CD2 4.29Å; L387-L471 HydrophobicContact CD1-CB 4.21Å; L387-L471 HydrophobicContact CD1-CD1 4.04Å; L387-L471 HydrophobicContact CD1-CD2 4.02Å; L387-L471 HydrophobicContact CD1-CG 4.32Å; L468-L471 HydrophobicContact CD2-CD1 4.05Å; L468-L471 WeakPolarHBondContact O-CB 3.2Å; L468-L471 PolarHBondContact O-N 3.14Å; L468-L471 VanDerWaalsContact O-N 3.14Å; L469-L471 VanDerWaalsContact C-N 3.26Å; L469-L471 PolarHBondContact O-N 3.18Å; L471-R474 PolarHBondContact O-NH1 2.96Å
472	I	72.3	Confident	67.4	Low	3 Å²	3	67.7 Å²	67.7	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-93	-35.2	-179.3	-60.1	165.2	0	0	0	111.6	P132 F133 I136 F456 I463 L469 S470 R474	P132-I472 HydrophobicContact CB-CD1 4.21Å; P132-I472 HydrophobicContact CG-CD1 4.32Å; F133-I472 HydrophobicContact CD2-CG1 4.39Å; F133-I472 HydrophobicContact CE2-CD1 4.11Å; F133-I472 HydrophobicContact CE2-CG1 3.6Å; F133-I472 HydrophobicContact CZ-CG1 3.72Å; I136-I472 HydrophobicContact CD1-CG2 3.78Å; F456-I472 HydrophobicContact CE2-CD1 4.35Å; F456-I472 HydrophobicContact CE2-CG2 4.17Å; F456-I472 HydrophobicContact CZ-CD1 4.2Å; F456-I472 HydrophobicContact CZ-CG2 4.26Å; I463-I472 HydrophobicContact CD1-CD1 4.09Å; L469-I472 PolarHBondContact O-N 3.11Å; S470-I472 VanDerWaalsContact C-N 3.34Å; S470-I472 PolarHBondContact O-N 2.93Å; I472-R474 PolarHBondContact O-N 3.38Å
473	R	71.2	Confident	69.2	Low	110 Å²	110	63.7 Å²	63.7	42%	0.415	30%	0.298	S	S	.	.			trans	-70.8	93	-177.1	-76.1	176.1	172.2	175.6	-5.1	112.4	Q453 L469	Q453-R473 VanDerWaalsContact OE1-CZ 3.28Å; L469-R473 VanDerWaalsContact O-CB 3.22Å; L469-R473 WeakPolarHBondContact O-CB 3.38Å; L469-R473 WeakPolarHBondContact O-CG 3.22Å; L469-R473 PolarHBondContact O-N 2.9Å
474	R	75.3	Confident	70.7	Confident	13 Å²	13	62.2 Å²	62.2	5%	0.049	29%	0.291	C	S	.	.			trans	-94.4	120.8	166.7	-65.3	-70	-179.6	-71.6	-9.1	110.6	M388 E389 F449 S451 L471 I472	M388-R474 HydrophobicContact CB-CG 4.15Å; M388-R474 HydrophobicContact CG-CG 4.02Å; E389-R474 IonicContact OE1-CZ 3.45Å; E389-R474 IonicContact OE1-NE 2.95Å; E389-R474 PolarHBondContact OE1-NE 3.06Å; E389-R474 IonicContact OE1-NH2 2.95Å; E389-R474 IonicContact OE2-CZ 2.98Å; E389-R474 IonicContact OE2-NE 2.79Å; E389-R474 PolarHBondContact OE2-NE 3.05Å; E389-R474 IonicContact OE2-NH2 3.09Å; E389-R474 PolarHBondContact OE2-NH2 3.16Å; F449-R474 HydrophobicContact CD1-CB 3.98Å; F449-R474 HydrophobicContact CD1-CG 4.16Å; F449-R474 HydrophobicContact CE1-CB 3.72Å; F449-R474 HydrophobicContact CE1-CG 3.54Å; F449-R474 HydrophobicContact CZ-CG 3.86Å; F449-R474 WeakPolarHBondContact O-CB 3.19Å; S451-R474 PolarHBondContact N-O 3.15Å; L471-R474 PolarHBondContact O-NH1 2.96Å; I472-R474 PolarHBondContact O-N 3.38Å
475	H	73	Confident	72.6	Confident	160 Å²	160	57.6 Å²	57.6	74%	0.741	28%	0.275	S	S	*	.	S	Bend	trans	-95	-2	177.2	-61.6	-77	0	0	0	113.8
476	R	75.2	Confident	74.1	Confident	153 Å²	153	54.1 Å²	54.1	58%	0.577	26%	0.256	S	S	*	.	S	Bend	trans	-146.4	154.4	-177.2	-65.2	-172.6	-169.6	176	5.6	108.4	F449	F449-R476 WeakPolarHBondContact CE1-O 3.11Å
477	P	78.8	Confident	75.5	Confident	44 Å²	44	46.6 Å²	46.6	29%	0.286	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-63	162.8	168.7	29.7	-34.3	0	0	0	110.3	C442 N443 I450	C442-P477 HydrophobicContact CB-CB 4.46Å; N443-P477 WeakPolarHBondContact OD1-CB 3.37Å; N443-P477 WeakPolarHBondContact OD1-CG 3.38Å; I450-P477 HydrophobicContact CD1-CB 4.2Å; I450-P477 HydrophobicContact CD1-CG 4.41Å
478	P	82.7	Confident	76.8	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.026	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.1	146.2	-178	29.9	-34	0	0	0	111.2	E389 Q439 C442 F449 L483	E389-P478 HydrophobicContact CG-CB 4.3Å; Q439-P478 HydrophobicContact CG-CG 4.42Å; Q439-P478 WeakPolarHBondContact CG-O 3.48Å; Q439-P478 PolarHBondContact NE2-O 3.1Å; C442-P478 HydrophobicContact CB-CG 4.15Å; F449-P478 HydrophobicContact CD2-CG 4.44Å; F449-P478 HydrophobicContact CE1-CB 4.05Å; F449-P478 HydrophobicContact CE1-CG 4.24Å; F449-P478 HydrophobicContact CE2-CB 4.09Å; F449-P478 HydrophobicContact CE2-CG 4.16Å; F449-P478 HydrophobicContact CZ-CB 3.66Å; F449-P478 HydrophobicContact CZ-CG 4.05Å; P478-L483 HydrophobicContact CB-CD1 4.24Å; P478-L483 HydrophobicContact CB-CD2 3.73Å; P478-L483 HydrophobicContact CB-CG 3.83Å; P478-L483 HydrophobicContact CG-CD1 3.83Å; P478-L483 HydrophobicContact CG-CD2 3.9Å; P478-L483 HydrophobicContact CG-CG 3.98Å
479	E	82.3	Confident	77.5	Confident	72 Å²	72	45.6 Å²	45.6	34%	0.336	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-78.9	132.6	169.1	-60.7	-168.2	-169.5	0	0	108.9	N481 H482 L483 K852	E479-N481 PolarHBondContact O-N 3.31Å; E479-H482 WeakPolarHBondContact O-CA 3.28Å; E479-H482 WeakPolarHBondContact O-CB 3.21Å; E479-H482 PolarHBondContact O-N 3.25Å; E479-L483 PolarHBondContact O-N 2.97Å; E479-L483 VanDerWaalsContact O-N 3.16Å; E479-K852 IonicContact OE1-NZ 3.86Å; E479-K852 PolarHBondContact OE1-NZ 3.22Å; E479-K852 WeakPolarHBondContact OE2-CE 3.36Å; E479-K852 IonicContact OE2-NZ 3.72Å; E479-K852 PolarHBondContact OE2-NZ 3.33Å
480	I	82.7	Confident	78.3	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-53.4	-33.7	-174.4	-167.6	62.3	0	0	0	113.7	L435 Q439 H482 L483 A484 R558	L435-I480 HydrophobicContact CB-CD1 3.92Å; Q439-I480 HydrophobicContact CB-CD1 4.17Å; I480-H482 VanDerWaalsContact C-N 3.33Å; I480-H482 PolarHBondContact O-N 3.39Å; I480-L483 HydrophobicContact CD1-CD1 4.45Å; I480-L483 PolarHBondContact O-N 3.28Å; I480-A484 WeakPolarHBondContact O-CB 3.22Å; I480-A484 PolarHBondContact O-N 3.06Å; I480-R558 VanDerWaalsContact CG1-CZ 3.47Å
481	N	80.3	Confident	78.9	Confident	69 Å²	69	43.1 Å²	43.1	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-66.2	-33.9	175.1	-68.3	-13.9	0	0	0	112.7	E479 Y485 S945	E479-N481 PolarHBondContact O-N 3.31Å; N481-Y485 VanDerWaalsContact O-CB 3.26Å; N481-Y485 WeakPolarHBondContact O-CB 3.26Å; N481-Y485 PolarHBondContact O-N 3.4Å; N481-S945 VanDerWaalsContact CG-OG 3.22Å; N481-S945 VanDerWaalsContact ND2-CB 3.29Å; N481-S945 WeakPolarHBondContact ND2-CB 3.21Å; N481-S945 PolarHBondContact ND2-OG 2.85Å; N481-S945 WeakPolarHBondContact OD1-CB 3.46Å; N481-S945 PolarHBondContact OD1-OG 3.12Å
482	H	81.6	Confident	79.1	Confident	87 Å²	87	45.3 Å²	45.3	40%	0.403	20%	0.203	S	C	.	.	H	α-helix	trans	-74.5	-35.3	175.6	-58.2	168.6	0	0	0	110.9	E389 E479 I480 A486	E389-H482 HydrophobicContact CG-CB 4.48Å; E479-H482 WeakPolarHBondContact O-CA 3.28Å; E479-H482 WeakPolarHBondContact O-CB 3.21Å; E479-H482 PolarHBondContact O-N 3.25Å; I480-H482 VanDerWaalsContact C-N 3.33Å; I480-H482 PolarHBondContact O-N 3.39Å; H482-A486 WeakPolarHBondContact O-CB 3.16Å; H482-A486 PolarHBondContact O-N 3.16Å
483	L	85	Confident	79	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-45.6	170.5	-67.2	-176.4	0	0	0	111.8	E389 V392 L435 Q439 P478 E479 I480 A486 T487	E389-L483 HydrophobicContact CB-CD2 4.25Å; E389-L483 HydrophobicContact CG-CD2 4.42Å; V392-L483 HydrophobicContact CB-CD2 3.93Å; V392-L483 HydrophobicContact CG1-CD1 4.43Å; V392-L483 HydrophobicContact CG1-CD2 3.8Å; L435-L483 HydrophobicContact CD1-CB 4.33Å; L435-L483 HydrophobicContact CD2-CB 4.45Å; Q439-L483 HydrophobicContact CB-CD1 3.97Å; Q439-L483 HydrophobicContact CG-CD1 4.22Å; P478-L483 HydrophobicContact CB-CD1 4.24Å; P478-L483 HydrophobicContact CB-CD2 3.73Å; P478-L483 HydrophobicContact CB-CG 3.83Å; P478-L483 HydrophobicContact CG-CD1 3.83Å; P478-L483 HydrophobicContact CG-CD2 3.9Å; P478-L483 HydrophobicContact CG-CG 3.98Å; E479-L483 PolarHBondContact O-N 2.97Å; E479-L483 VanDerWaalsContact O-N 3.16Å; I480-L483 HydrophobicContact CD1-CD1 4.45Å; I480-L483 PolarHBondContact O-N 3.28Å; L483-A486 PolarHBondContact O-N 2.76Å; L483-T487 VanDerWaalsContact O-CB 3.24Å; L483-T487 WeakPolarHBondContact O-CB 3.36Å; L483-T487 PolarHBondContact O-N 3.22Å; L483-T487 PolarHBondContact O-OG1 3.28Å
484	A	84.4	Confident	79.3	Confident	10 Å²	10	40.8 Å²	40.8	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-44.5	178.3	0	0	0	0	0	111.8	L435 I480 T487 A488 V557 R558	L435-A484 HydrophobicContact CD1-CB 4.15Å; I480-A484 WeakPolarHBondContact O-CB 3.22Å; I480-A484 PolarHBondContact O-N 3.06Å; A484-T487 PolarHBondContact O-N 2.91Å; A484-A488 WeakPolarHBondContact O-CB 3.43Å; A484-A488 PolarHBondContact O-N 3.13Å; A484-V557 HydrophobicContact CB-CG1 4.29Å; A484-R558 HydrophobicContact CB-CG 4.23Å
485	Y	81.6	Confident	78.9	Confident	104 Å²	104	40.6 Å²	40.6	41%	0.408	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-49.2	174.6	-178.4	-100.7	0	0	0	112.1	N481 T487 A488 R489	N481-Y485 VanDerWaalsContact O-CB 3.26Å; N481-Y485 WeakPolarHBondContact O-CB 3.26Å; N481-Y485 PolarHBondContact O-N 3.4Å; Y485-T487 VanDerWaalsContact C-N 3.28Å; Y485-T487 PolarHBondContact O-N 2.81Å; Y485-A488 PolarHBondContact O-N 3.04Å; Y485-R489 HydrophobicContact CD1-CG 4.22Å; Y485-R489 HydrophobicContact CD2-CG 4.32Å; Y485-R489 HydrophobicContact CE1-CG 3.77Å; Y485-R489 HydrophobicContact CE2-CG 3.88Å; Y485-R489 HydrophobicContact CG-CG 4.48Å; Y485-R489 WeakPolarHBondContact O-CB 3.48Å; Y485-R489 WeakPolarHBondContact O-CG 3.35Å; Y485-R489 PolarHBondContact O-N 2.62Å; Y485-R489 PolarHBondContact OH-NE 2.96Å
486	A	82.6	Confident	78.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-40.7	177.4	0	0	0	0	0	111.4	V386 E389 Y390 H482 L483 M490	V386-A486 HydrophobicContact CG1-CB 4.01Å; E389-A486 HydrophobicContact CB-CB 3.89Å; Y390-A486 HydrophobicContact CD1-CB 3.77Å; Y390-A486 HydrophobicContact CE1-CB 3.98Å; Y390-A486 WeakPolarHBondContact CE1-O 3.24Å; H482-A486 WeakPolarHBondContact O-CB 3.16Å; H482-A486 PolarHBondContact O-N 3.16Å; L483-A486 PolarHBondContact O-N 2.76Å; A486-M490 WeakPolarHBondContact O-CB 3.38Å; A486-M490 PolarHBondContact O-N 3.23Å
487	T	86.1	Confident	78.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-48.6	177.8	-58.8	0	0	0	0	112.4	A393 F396 I397 L483 A484 Y485 R489 M490 R491 V557	A393-T487 WeakPolarHBondContact CB-OG1 3.44Å; F396-T487 HydrophobicContact CD1-CG2 3.63Å; F396-T487 HydrophobicContact CE1-CG2 4.03Å; I397-T487 HydrophobicContact CG1-CG2 4.45Å; L483-T487 VanDerWaalsContact O-CB 3.24Å; L483-T487 WeakPolarHBondContact O-CB 3.36Å; L483-T487 PolarHBondContact O-N 3.22Å; L483-T487 PolarHBondContact O-OG1 3.28Å; A484-T487 PolarHBondContact O-N 2.91Å; Y485-T487 VanDerWaalsContact C-N 3.28Å; Y485-T487 PolarHBondContact O-N 2.81Å; T487-R489 PolarHBondContact O-N 3.19Å; T487-M490 PolarHBondContact O-N 3.2Å; T487-R491 WeakPolarHBondContact O-CB 3.44Å; T487-R491 PolarHBondContact O-N 3.19Å; T487-V557 HydrophobicContact CG2-CG1 3.73Å; T487-V557 HydrophobicContact CG2-CG2 4.12Å
488	A	79.4	Confident	77.5	Confident	7 Å²	7	33.6 Å²	33.6	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-47.7	176.4	0	0	0	0	0	111.3	A484 Y485 R491 E492	A484-A488 WeakPolarHBondContact O-CB 3.43Å; A484-A488 PolarHBondContact O-N 3.13Å; Y485-A488 PolarHBondContact O-N 3.04Å; A488-R491 PolarHBondContact O-N 3.35Å; A488-E492 WeakPolarHBondContact O-CG 3.3Å; A488-E492 PolarHBondContact O-N 3.11Å
489	R	76	Confident	76.6	Confident	41 Å²	41	34.6 Å²	34.6	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-41.1	177.6	-69.5	-48.3	-157.7	173.5	10	113.5	Q240 F241 Y390 Y485 T487 R491 E492 F493	Q240-R489 VanDerWaalsContact OE1-CZ 3.28Å; F241-R489 HydrophobicContact CD2-CB 4.24Å; F241-R489 HydrophobicContact CE2-CB 4.25Å; Y390-R489 HydrophobicContact CE1-CB 4.16Å; Y485-R489 HydrophobicContact CD1-CG 4.22Å; Y485-R489 HydrophobicContact CD2-CG 4.32Å; Y485-R489 HydrophobicContact CE1-CG 3.77Å; Y485-R489 HydrophobicContact CE2-CG 3.88Å; Y485-R489 HydrophobicContact CG-CG 4.48Å; Y485-R489 WeakPolarHBondContact O-CB 3.48Å; Y485-R489 WeakPolarHBondContact O-CG 3.35Å; Y485-R489 PolarHBondContact O-N 2.62Å; Y485-R489 PolarHBondContact OH-NE 2.96Å; T487-R489 PolarHBondContact O-N 3.19Å; R489-R491 VanDerWaalsContact C-N 3.34Å; R489-E492 WeakPolarHBondContact CD-OE2 3.33Å; R489-E492 IonicContact CZ-OE2 2.63Å; R489-E492 IonicContact NE-OE2 2.84Å; R489-E492 IonicContact NH1-OE2 3.7Å; R489-E492 PolarHBondContact NH1-OE2 3.39Å; R489-E492 PolarHBondContact O-N 3.38Å; R489-F493 WeakPolarHBondContact O-CB 3.47Å; R489-F493 PolarHBondContact O-N 3.12Å
490	M	81.1	Confident	75.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-44	177.8	-167.6	71.1	-156.7	0	0	110.6	Y169 F241 Y390 A393 I394 I397 A486 T487 F493 I494	Y169-M490 HydrophobicContact CD2-CE 3.36Å; Y169-M490 HydrophobicContact CD2-SD 4.16Å; Y169-M490 HydrophobicContact CE2-CE 4.24Å; Y169-M490 HydrophobicContact CG-CE 3.74Å; F241-M490 HydrophobicContact CE2-SD 4.43Å; F241-M490 HydrophobicContact CZ-SD 4.07Å; Y390-M490 HydrophobicContact CD1-CB 4.11Å; Y390-M490 HydrophobicContact CD1-SD 4.04Å; Y390-M490 HydrophobicContact CG-SD 4.25Å; A393-M490 HydrophobicContact CB-CB 4.12Å; A393-M490 HydrophobicContact CB-CG 4.44Å; I394-M490 HydrophobicContact CD1-CE 3.56Å; I394-M490 HydrophobicContact CD1-SD 4.18Å; I394-M490 HydrophobicContact CG1-CE 3.65Å; I394-M490 HydrophobicContact CG1-CG 4.01Å; I394-M490 HydrophobicContact CG1-SD 4.12Å; I397-M490 HydrophobicContact CD1-CB 4.21Å; I397-M490 HydrophobicContact CD1-CG 4.16Å; A486-M490 WeakPolarHBondContact O-CB 3.38Å; A486-M490 PolarHBondContact O-N 3.23Å; T487-M490 PolarHBondContact O-N 3.2Å; M490-F493 PolarHBondContact O-N 3.26Å; M490-I494 HydrophobicContact CE-CD1 3.76Å; M490-I494 HydrophobicContact CE-CG1 3.75Å; M490-I494 HydrophobicContact CG-CD1 3.72Å; M490-I494 HydrophobicContact CG-CG1 4.38Å; M490-I494 WeakPolarHBondContact O-CD1 3.42Å; M490-I494 VanDerWaalsContact O-CG1 3.22Å; M490-I494 WeakPolarHBondContact O-CG1 3.15Å; M490-I494 PolarHBondContact O-N 2.68Å
491	R	77.9	Confident	75	Confident	14 Å²	14	37.3 Å²	37.3	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-41.6	175.3	172.6	-93.2	179	173.8	6.5	112.6	I397 T487 A488 R489 F493 G495 L496 N497 F499	I397-R491 HydrophobicContact CD1-CB 4.22Å; T487-R491 WeakPolarHBondContact O-CB 3.44Å; T487-R491 PolarHBondContact O-N 3.19Å; A488-R491 PolarHBondContact O-N 3.35Å; R489-R491 VanDerWaalsContact C-N 3.34Å; R491-F493 PolarHBondContact O-N 3.15Å; R491-G495 PolarHBondContact O-N 3.29Å; R491-G495 VanDerWaalsContact O-N 3.1Å; R491-L496 HydrophobicContact CG-CB 4.13Å; R491-L496 VanDerWaalsContact CG-O 3.27Å; R491-L496 WeakPolarHBondContact CG-O 3.45Å; R491-L496 PolarHBondContact NE-O 3.31Å; R491-L496 PolarHBondContact O-N 3Å; R491-N497 PolarHBondContact NH2-O 3.27Å; R491-F499 HydrophobicContact CB-CZ 4.17Å; R491-F499 HydrophobicContact CG-CE2 3.73Å; R491-F499 HydrophobicContact CG-CZ 3.65Å
492	E	70.6	Confident	74.6	Confident	49 Å²	49	34.1 Å²	34.1	23%	0.229	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-32.9	174.2	-76	170.5	178.9	0	0	112.9	R237 A488 R489	R237-E492 PolarHBondContact NH1-O 2.98Å; A488-E492 WeakPolarHBondContact O-CG 3.3Å; A488-E492 PolarHBondContact O-N 3.11Å; R489-E492 WeakPolarHBondContact CD-OE2 3.33Å; R489-E492 IonicContact CZ-OE2 2.63Å; R489-E492 IonicContact NE-OE2 2.84Å; R489-E492 IonicContact NH1-OE2 3.7Å; R489-E492 PolarHBondContact NH1-OE2 3.39Å; R489-E492 PolarHBondContact O-N 3.38Å
493	F	72.3	Confident	74.2	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-80.7	-44.3	-178.9	-174.2	-99.9	0	0	0	113.1	Y169 I172 T173 L188 L238 F241 R489 M490 R491 G495	Y169-F493 AromaticContact CD2-CD1 3.89Å; Y169-F493 HydrophobicContact CD2-CD1 3.89Å; Y169-F493 AromaticContact CD2-CE1 3.47Å; Y169-F493 HydrophobicContact CD2-CE1 3.47Å; Y169-F493 VanDerWaalsContact CD2-CE1 3.47Å; Y169-F493 HydrophobicContact CD2-CZ 4.48Å; Y169-F493 HydrophobicContact CE2-CD1 4.36Å; Y169-F493 AromaticContact CE2-CE1 3.81Å; Y169-F493 HydrophobicContact CE2-CE1 3.81Å; Y169-F493 HydrophobicContact CE2-CZ 4.47Å; Y169-F493 HydrophobicContact CG-CE1 4.48Å; I172-F493 HydrophobicContact CB-CE1 3.7Å; I172-F493 HydrophobicContact CB-CZ 3.7Å; I172-F493 HydrophobicContact CD1-CD1 3.89Å; I172-F493 HydrophobicContact CD1-CE1 3.81Å; I172-F493 HydrophobicContact CD1-CZ 4.45Å; I172-F493 VanDerWaalsContact CD1-O 3.26Å; I172-F493 WeakPolarHBondContact CD1-O 3.4Å; I172-F493 HydrophobicContact CG1-CE1 4.38Å; I172-F493 HydrophobicContact CG2-CE1 3.77Å; I172-F493 HydrophobicContact CG2-CE2 3.73Å; I172-F493 HydrophobicContact CG2-CZ 3.31Å; T173-F493 HydrophobicContact CG2-CZ 4.4Å; L188-F493 WeakPolarHBondContact CD1-O 3.42Å; L238-F493 HydrophobicContact CD2-CE2 4.24Å; F241-F493 HydrophobicContact CB-CD2 3.66Å; F241-F493 HydrophobicContact CB-CE2 4.06Å; F241-F493 HydrophobicContact CD1-CD1 4.4Å; F241-F493 AromaticContact CD1-CD2 3.47Å; F241-F493 HydrophobicContact CD1-CD2 3.47Å; F241-F493 VanDerWaalsContact CD1-CD2 3.47Å; F241-F493 HydrophobicContact CD1-CE1 4.39Å; F241-F493 AromaticContact CD1-CE2 3.44Å; F241-F493 HydrophobicContact CD1-CE2 3.44Å; F241-F493 VanDerWaalsContact CD1-CE2 3.44Å; F241-F493 AromaticContact CD1-CG 3.95Å; F241-F493 HydrophobicContact CD1-CG 3.95Å; F241-F493 AromaticContact CD1-CZ 3.92Å; F241-F493 HydrophobicContact CD1-CZ 3.92Å; F241-F493 HydrophobicContact CD2-CB 3.55Å; F241-F493 AromaticContact CD2-CD2 3.68Å; F241-F493 HydrophobicContact CD2-CD2 3.68Å; F241-F493 HydrophobicContact CD2-CE2 4.5Å; F241-F493 AromaticContact CD2-CG 3.73Å; F241-F493 HydrophobicContact CD2-CG 3.73Å; F241-F493 HydrophobicContact CE1-CD1 4.14Å; F241-F493 HydrophobicContact CE1-CD2 4.03Å; F241-F493 HydrophobicContact CE1-CE1 4.15Å; F241-F493 HydrophobicContact CE1-CE2 4.03Å; F241-F493 HydrophobicContact CE1-CG 4.07Å; F241-F493 HydrophobicContact CE1-CZ 4.08Å; F241-F493 HydrophobicContact CE2-CB 3.64Å; F241-F493 HydrophobicContact CE2-CD1 4.34Å; F241-F493 HydrophobicContact CE2-CD2 4.21Å; F241-F493 AromaticContact CE2-CG 3.83Å; F241-F493 HydrophobicContact CE2-CG 3.83Å; F241-F493 HydrophobicContact CG-CB 4.11Å; F241-F493 AromaticContact CG-CD2 3.27Å; F241-F493 HydrophobicContact CG-CD2 3.27Å; F241-F493 AromaticContact CG-CE2 3.73Å; F241-F493 HydrophobicContact CG-CE2 3.73Å; F241-F493 AromaticContact CG-CG 3.79Å; F241-F493 HydrophobicContact CG-CG 3.79Å; F241-F493 HydrophobicContact CZ-CB 4.26Å; F241-F493 HydrophobicContact CZ-CD1 4.11Å; F241-F493 HydrophobicContact CZ-CD2 4.37Å; F241-F493 HydrophobicContact CZ-CG 4.01Å; R489-F493 WeakPolarHBondContact O-CB 3.47Å; R489-F493 PolarHBondContact O-N 3.12Å; M490-F493 PolarHBondContact O-N 3.26Å; R491-F493 PolarHBondContact O-N 3.15Å; F493-G495 PolarHBondContact O-N 3.47Å
494	I	75.6	Confident	73.9	Confident	15 Å²	15	30.5 Å²	30.5	8%	0.077	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-22	174.2	-53.6	153.5	0	0	0	111.1	I165 I397 M490 L496	I165-I494 HydrophobicContact CG2-CD1 3.55Å; I165-I494 HydrophobicContact CG2-CG1 4.34Å; I397-I494 HydrophobicContact CD1-CD1 4.15Å; M490-I494 HydrophobicContact CE-CD1 3.76Å; M490-I494 HydrophobicContact CE-CG1 3.75Å; M490-I494 HydrophobicContact CG-CD1 3.72Å; M490-I494 HydrophobicContact CG-CG1 4.38Å; M490-I494 WeakPolarHBondContact O-CD1 3.42Å; M490-I494 VanDerWaalsContact O-CG1 3.22Å; M490-I494 WeakPolarHBondContact O-CG1 3.15Å; M490-I494 PolarHBondContact O-N 2.68Å; I494-L496 HydrophobicContact CB-CD1 4.18Å; I494-L496 HydrophobicContact CB-CG 4.11Å; I494-L496 HydrophobicContact CD1-CD1 4.02Å; I494-L496 HydrophobicContact CG2-CD1 3.82Å; I494-L496 HydrophobicContact CG2-CD2 4.47Å; I494-L496 HydrophobicContact CG2-CG 3.71Å
495	G	67.9	Low	73.5	Confident	9 Å²	9	30.6 Å²	30.6	9%	0.093	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	19.1	-176.2	0	0	0	0	0	114	S191 R491 F493 N497	S191-G495 WeakPolarHBondContact CB-O 3.38Å; S191-G495 WeakPolarHBondContact OG-CA 3.36Å; R491-G495 PolarHBondContact O-N 3.29Å; R491-G495 VanDerWaalsContact O-N 3.1Å; F493-G495 PolarHBondContact O-N 3.47Å; G495-N497 VanDerWaalsContact C-N 3.27Å; G495-N497 PolarHBondContact O-N 3.3Å
496	L	70.4	Confident	73.3	Confident	55 Å²	55	26 Å²	26	29%	0.288	13%	0.128	S	C	.	.			trans	-74.5	77.6	-179.7	-71.1	170.4	0	0	0	111.1	I397 R491 I494 H498	I397-L496 HydrophobicContact CG2-CD1 3.38Å; R491-L496 HydrophobicContact CG-CB 4.13Å; R491-L496 VanDerWaalsContact CG-O 3.27Å; R491-L496 WeakPolarHBondContact CG-O 3.45Å; R491-L496 PolarHBondContact NE-O 3.31Å; R491-L496 PolarHBondContact O-N 3Å; I494-L496 HydrophobicContact CB-CD1 4.18Å; I494-L496 HydrophobicContact CB-CG 4.11Å; I494-L496 HydrophobicContact CD1-CD1 4.02Å; I494-L496 HydrophobicContact CG2-CD1 3.82Å; I494-L496 HydrophobicContact CG2-CD2 4.47Å; I494-L496 HydrophobicContact CG2-CG 3.71Å; L496-H498 VanDerWaalsContact C-N 3.3Å; L496-H498 PolarHBondContact O-N 2.97Å
497	N	63.1	Low	73	Confident	9 Å²	9	26.1 Å²	26.1	5%	0.048	13%	0.128	C	C	.	.			trans	-62.6	-36	-175.9	-69.6	-32.1	0	0	0	112.8	S191 V195 R491 G495	S191-N497 PolarHBondContact O-ND2 3.27Å; V195-N497 HydrophobicContact CG2-CB 4.38Å; V195-N497 VanDerWaalsContact CG2-CG 3.49Å; V195-N497 WeakPolarHBondContact CG2-ND2 3.37Å; V195-N497 WeakPolarHBondContact CG2-OD1 3.41Å; R491-N497 PolarHBondContact NH2-O 3.27Å; G495-N497 VanDerWaalsContact C-N 3.27Å; G495-N497 PolarHBondContact O-N 3.3Å
498	H	63.3	Low	72.9	Confident	145 Å²	145	26.1 Å²	26.1	67%	0.671	13%	0.128	S	C	*	.	P	Polyproline II helix	trans	-93.6	122.5	-180	-47.6	-48	0	0	0	111.1	L496	L496-H498 VanDerWaalsContact C-N 3.3Å; L496-H498 PolarHBondContact O-N 2.97Å
499	F	65.3	Low	72.9	Confident	26 Å²	26	26.7 Å²	26.7	11%	0.114	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-90.3	152.8	160.9	-78.8	-91.3	0	0	0	109.1	L400 R491 W553 V556 V557 F988	L400-F499 HydrophobicContact CD1-CD1 4.26Å; L400-F499 HydrophobicContact CD1-CE1 4.4Å; R491-F499 HydrophobicContact CB-CZ 4.17Å; R491-F499 HydrophobicContact CG-CE2 3.73Å; R491-F499 HydrophobicContact CG-CZ 3.65Å; F499-W553 HydrophobicContact CD2-CE3 4.01Å; F499-W553 AromaticContact CD2-CZ3 3.56Å; F499-W553 HydrophobicContact CD2-CZ3 3.56Å; F499-W553 AromaticContact CE2-CE3 3.59Å; F499-W553 HydrophobicContact CE2-CE3 3.59Å; F499-W553 AromaticContact CE2-CZ3 3.64Å; F499-W553 HydrophobicContact CE2-CZ3 3.64Å; F499-V556 HydrophobicContact CD2-CG1 4.37Å; F499-V556 HydrophobicContact CG-CG1 4.5Å; F499-V557 HydrophobicContact CE1-CG2 4.25Å; F499-V557 HydrophobicContact CZ-CG2 3.86Å; F499-F988 HydrophobicContact CB-CD1 4.33Å
500	P	64.6	Low	72.9	Confident	35 Å²	35	25.8 Å²	25.8	23%	0.227	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-62.4	156.7	167.3	33	-39.8	0	0	0	110.3	L400	L400-P500 HydrophobicContact CB-CG 3.88Å; L400-P500 HydrophobicContact CD2-CG 4.06Å; L400-P500 HydrophobicContact CG-CG 4.48Å; L400-P500 WeakPolarHBondContact O-CG 3.26Å
501	K	66.8	Low	72.9	Confident	104 Å²	104	26.4 Å²	26.4	45%	0.452	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-70.2	131.9	167.9	-66.4	-173	178.2	-178.3	0	110.1	I405 F988 D990	I405-K501 HydrophobicContact CD1-CB 4.3Å; K501-F988 WeakPolarHBondContact CA-O 3.33Å; K501-D990 HydrophobicContact CB-CB 4.01Å; K501-D990 HydrophobicContact CD-CB 4.32Å
502	Y	71.8	Confident	72.9	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.2	175.5	-70.7	-96.8	0	0	0	110.1	L400 M432 L504 P559 F988 F989 D990	L400-Y502 VanDerWaalsContact CD1-OH 3.25Å; L400-Y502 WeakPolarHBondContact CD1-OH 3.47Å; L400-Y502 HydrophobicContact CD2-CE1 3.53Å; L400-Y502 WeakPolarHBondContact CD2-OH 3.35Å; M432-Y502 HydrophobicContact CE-CD1 3.56Å; M432-Y502 HydrophobicContact CE-CE1 4.44Å; M432-Y502 HydrophobicContact CE-CG 4.35Å; Y502-L504 PolarHBondContact O-N 3.04Å; Y502-P559 HydrophobicContact CD1-CB 4.03Å; Y502-P559 HydrophobicContact CD1-CG 3.69Å; Y502-P559 HydrophobicContact CE1-CB 4.39Å; Y502-P559 HydrophobicContact CE1-CG 3.63Å; Y502-P559 HydrophobicContact CG-CB 4.24Å; Y502-P559 HydrophobicContact CG-CG 4.34Å; Y502-F988 PolarHBondContact N-O 3.14Å; Y502-F989 WeakPolarHBondContact O-CA 3.38Å; Y502-D990 PolarHBondContact O-N 3.17Å
503	P	73	Confident	72.9	Confident	10 Å²	10	23.6 Å²	23.6	7%	0.065	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	101	173.8	26.7	-36.1	0	0	0	110.7	M432 W506 L507 V993	M432-P503 HydrophobicContact CE-CG 3.99Å; M432-P503 HydrophobicContact SD-CG 3.46Å; M432-P503 WeakPolarHBondContact SD-CG 3.41Å; P503-W506 HydrophobicContact CB-CB 4.23Å; P503-W506 HydrophobicContact CG-CB 4.35Å; P503-W506 PolarHBondContact O-N 2.99Å; P503-L507 PolarHBondContact O-N 3.27Å; P503-V993 HydrophobicContact CB-CG2 3.7Å
504	L	78.3	Confident	72.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-72	-36.2	-170.7	-177.8	56.6	0	0	0	112.2	Y502 W506 L507 M508 L529 L532 F562 A563 L566 F989 D990 L991	Y502-L504 PolarHBondContact O-N 3.04Å; L504-W506 VanDerWaalsContact C-N 3.33Å; L504-W506 PolarHBondContact O-N 3.45Å; L504-L507 PolarHBondContact O-N 3.33Å; L504-M508 HydrophobicContact CG-SD 4.48Å; L504-M508 WeakPolarHBondContact O-CG 3.23Å; L504-M508 PolarHBondContact O-N 3.4Å; L504-L529 HydrophobicContact CD2-CD2 3.77Å; L504-L529 HydrophobicContact CG-CD2 4.05Å; L504-L532 HydrophobicContact CD2-CD2 4.43Å; L504-F562 HydrophobicContact CD1-CD1 4.02Å; L504-F562 HydrophobicContact CD1-CE1 4.47Å; L504-F562 HydrophobicContact CD2-CD1 4.25Å; L504-F562 HydrophobicContact CD2-CE1 3.86Å; L504-A563 HydrophobicContact CD1-CB 3.87Å; L504-L566 HydrophobicContact CD1-CD1 4.34Å; L504-L566 HydrophobicContact CD2-CD1 3.82Å; L504-L566 HydrophobicContact CG-CD1 4.24Å; L504-F989 HydrophobicContact CB-CB 4.17Å; L504-F989 HydrophobicContact CB-CD1 3.84Å; L504-F989 HydrophobicContact CB-CG 4.25Å; L504-F989 HydrophobicContact CD1-CD1 3.91Å; L504-F989 HydrophobicContact CD1-CE1 3.92Å; L504-F989 HydrophobicContact CD2-CB 4.25Å; L504-F989 HydrophobicContact CD2-CD1 4.24Å; L504-F989 HydrophobicContact CD2-CG 4.1Å; L504-F989 HydrophobicContact CG-CD1 4.21Å; L504-D990 PolarHBondContact N-O 3.49Å; L504-L991 HydrophobicContact CD2-CD2 3.87Å
505	S	76.1	Confident	72.7	Confident	13 Å²	13	23.7 Å²	23.7	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-55.5	-47.4	173	54.3	0	0	0	0	111.6	L507 M508 H509 V993	S505-L507 PolarHBondContact O-N 3.37Å; S505-M508 PolarHBondContact O-N 2.96Å; S505-H509 PolarHBondContact O-CD2 2.99Å; S505-H509 PolarHBondContact O-N 3.44Å; S505-V993 WeakPolarHBondContact OG-CB 3.25Å
506	W	76.3	Confident	72.6	Confident	8 Å²	8	23.2 Å²	23.2	3%	0.03	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178.5	178.2	82.1	0	0	0	112.5	A408 V409 T430 M432 P503 L504 M508 H509 R510	A408-W506 HydrophobicContact CB-CB 3.87Å; A408-W506 HydrophobicContact CB-CG 3.94Å; V409-W506 PolarHBondContact O-NE1 2.87Å; T430-W506 HydrophobicContact CG2-CZ2 3.66Å; T430-W506 WeakPolarHBondContact OG1-CH2 3.44Å; T430-W506 WeakPolarHBondContact OG1-CZ2 3.45Å; M432-W506 HydrophobicContact CB-CE3 4.33Å; M432-W506 HydrophobicContact CB-CH2 3.94Å; M432-W506 HydrophobicContact CB-CZ3 3.79Å; M432-W506 HydrophobicContact CE-CE3 4.19Å; M432-W506 HydrophobicContact CE-CZ3 4.22Å; M432-W506 HydrophobicContact CG-CE3 4.17Å; M432-W506 HydrophobicContact CG-CH2 4.29Å; M432-W506 HydrophobicContact CG-CZ3 3.67Å; M432-W506 HydrophobicContact SD-CD2 4.3Å; M432-W506 HydrophobicContact SD-CE3 3.38Å; M432-W506 HydrophobicContact SD-CZ3 3.51Å; M432-W506 VanDerWaalsContact SD-CZ3 3.51Å; P503-W506 HydrophobicContact CB-CB 4.23Å; P503-W506 HydrophobicContact CG-CB 4.35Å; P503-W506 PolarHBondContact O-N 2.99Å; L504-W506 VanDerWaalsContact C-N 3.33Å; L504-W506 PolarHBondContact O-N 3.45Å; W506-M508 VanDerWaalsContact C-N 3.33Å; W506-M508 PolarHBondContact O-N 3.43Å; W506-H509 PolarHBondContact O-N 3.46Å; W506-R510 HydrophobicContact CZ2-CB 4.33Å; W506-R510 HydrophobicContact CZ2-CG 4.43Å; W506-R510 VanDerWaalsContact O-CB 3.23Å; W506-R510 WeakPolarHBondContact O-CB 3.38Å; W506-R510 PolarHBondContact O-N 3.27Å
507	L	78.2	Confident	72.6	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-40.4	174.7	-72.3	169.2	0	0	0	111.9	M432 T434 P503 L504 S505 H511 P559 A563	M432-L507 HydrophobicContact CE-CD1 4.13Å; M432-L507 HydrophobicContact CE-CD2 4.23Å; M432-L507 HydrophobicContact CE-CG 4.12Å; T434-L507 HydrophobicContact CG2-CD2 3.83Å; P503-L507 PolarHBondContact O-N 3.27Å; L504-L507 PolarHBondContact O-N 3.33Å; S505-L507 PolarHBondContact O-N 3.37Å; L507-H511 PolarHBondContact O-CD2 2.83Å; L507-H511 PolarHBondContact O-N 2.96Å; L507-P559 HydrophobicContact CD1-CB 3.84Å; L507-P559 HydrophobicContact CD1-CG 4.34Å; L507-A563 HydrophobicContact CB-CB 3.55Å; L507-A563 HydrophobicContact CD1-CB 4.42Å
508	M	83.1	Confident	72.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-50.4	175.1	-71	178.8	64.6	0	0	112	L504 S505 W506 R510 H511 I512 V525 L528 L529 A563 L566 V567	L504-M508 HydrophobicContact CG-SD 4.48Å; L504-M508 WeakPolarHBondContact O-CG 3.23Å; L504-M508 PolarHBondContact O-N 3.4Å; S505-M508 PolarHBondContact O-N 2.96Å; W506-M508 VanDerWaalsContact C-N 3.33Å; W506-M508 PolarHBondContact O-N 3.43Å; M508-R510 VanDerWaalsContact C-N 3.29Å; M508-R510 PolarHBondContact O-N 3.31Å; M508-H511 PolarHBondContact O-N 3.37Å; M508-H511 VanDerWaalsContact O-N 3.08Å; M508-I512 VanDerWaalsContact O-CG1 3.29Å; M508-I512 WeakPolarHBondContact O-CG1 3.39Å; M508-I512 PolarHBondContact O-N 3.1Å; M508-V525 HydrophobicContact CB-CG1 4.01Å; M508-V525 HydrophobicContact CB-CG2 4.36Å; M508-V525 HydrophobicContact CE-CB 4.47Å; M508-V525 HydrophobicContact CE-CG1 3.96Å; M508-V525 HydrophobicContact CE-CG2 4.23Å; M508-V525 HydrophobicContact SD-CG1 4.04Å; M508-L528 HydrophobicContact CE-CD2 4.07Å; M508-L529 HydrophobicContact SD-CD1 4.31Å; M508-L529 HydrophobicContact SD-CD2 3.83Å; M508-L529 HydrophobicContact SD-CG 4.14Å; M508-A563 HydrophobicContact CG-CB 4.32Å; M508-L566 HydrophobicContact CE-CB 3.68Å; M508-L566 HydrophobicContact CE-CD1 4.48Å; M508-L566 HydrophobicContact CG-CB 4.37Å; M508-L566 HydrophobicContact SD-CB 3.77Å; M508-L566 HydrophobicContact SD-CD1 3.62Å; M508-L566 HydrophobicContact SD-CG 4.31Å; M508-V567 HydrophobicContact CB-CG2 4.15Å; M508-V567 HydrophobicContact CE-CG2 4.47Å; M508-V567 HydrophobicContact CG-CG2 4.23Å
509	H	78.7	Confident	72.6	Confident	20 Å²	20	15.6 Å²	15.6	9%	0.093	8%	0.082	C	C	.	.	H	α-helix	trans	-57.3	-42.6	175.6	-66.8	-56.6	0	0	0	111.5	P411 S505 W506 H511 I512 T513 H522	P411-H509 HydrophobicContact CG-CB 4.21Å; S505-H509 PolarHBondContact O-CD2 2.99Å; S505-H509 PolarHBondContact O-N 3.44Å; W506-H509 PolarHBondContact O-N 3.46Å; H509-H511 VanDerWaalsContact C-N 3.33Å; H509-H511 PolarHBondContact O-N 3.33Å; H509-I512 PolarHBondContact O-N 3.08Å; H509-T513 PolarHBondContact O-N 2.82Å; H509-T513 PolarHBondContact O-OG1 3.06Å; H509-T513 VanDerWaalsContact O-OG1 3.12Å; H509-H522 PolarHBondContact CE1-O 3.42Å; H509-H522 AromaticContact CG-ND1 3.64Å; H509-H522 AromaticContact ND1-CG 3.52Å; H509-H522 AromaticContact ND1-ND1 3.08Å; H509-H522 PolarHBondContact ND1-ND1 2.85Å
510	R	77	Confident	72.5	Confident	22 Å²	22	14.4 Å²	14.4	8%	0.083	8%	0.077	C	C	.	.	H	α-helix	trans	-58.9	-42.1	174.6	176.3	174	177	-155	-7.6	112.1	D437 W506 M508 A514	D437-R510 IonicContact OD1-CZ 3.64Å; D437-R510 IonicContact OD1-NH1 2.6Å; D437-R510 IonicContact OD1-NH2 2.63Å; D437-R510 PolarHBondContact OD1-NH2 3.46Å; D437-R510 IonicContact OD2-CZ 3.73Å; D437-R510 IonicContact OD2-NH1 2.8Å; D437-R510 PolarHBondContact OD2-NH1 3.21Å; D437-R510 IonicContact OD2-NH2 3.27Å; D437-R510 PolarHBondContact OD2-NH2 3.16Å; W506-R510 HydrophobicContact CZ2-CB 4.33Å; W506-R510 HydrophobicContact CZ2-CG 4.43Å; W506-R510 VanDerWaalsContact O-CB 3.23Å; W506-R510 WeakPolarHBondContact O-CB 3.38Å; W506-R510 PolarHBondContact O-N 3.27Å; M508-R510 VanDerWaalsContact C-N 3.29Å; M508-R510 PolarHBondContact O-N 3.31Å; R510-A514 WeakPolarHBondContact O-CB 3.42Å; R510-A514 PolarHBondContact O-N 3.19Å
511	H	81.7	Confident	72.6	Confident	12 Å²	12	12.8 Å²	12.8	6%	0.056	7%	0.066	C	C	.	.	H	α-helix	trans	-70.1	-34.3	175.9	-71.3	-44.4	0	0	0	112.8	L507 M508 H509 A514 L515 E560 M564 V567	L507-H511 PolarHBondContact O-CD2 2.83Å; L507-H511 PolarHBondContact O-N 2.96Å; M508-H511 PolarHBondContact O-N 3.37Å; M508-H511 VanDerWaalsContact O-N 3.08Å; H509-H511 VanDerWaalsContact C-N 3.33Å; H509-H511 PolarHBondContact O-N 3.33Å; H511-A514 PolarHBondContact O-N 3.45Å; H511-L515 WeakPolarHBondContact O-CB 3.47Å; H511-L515 WeakPolarHBondContact O-CG 3.34Å; H511-L515 PolarHBondContact O-N 3.01Å; H511-E560 PolarHBondContact NE2-O 3.37Å; H511-M564 HydrophobicContact CB-CE 3.99Å; H511-V567 HydrophobicContact CB-CG2 4.12Å
512	I	76.4	Confident	72.9	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.5	-46.6	175.4	-66.8	164.2	0	0	0	110.7	M508 H509 L515 G516 L517 M521 H522 V525 V567 L570	M508-I512 VanDerWaalsContact O-CG1 3.29Å; M508-I512 WeakPolarHBondContact O-CG1 3.39Å; M508-I512 PolarHBondContact O-N 3.1Å; H509-I512 PolarHBondContact O-N 3.08Å; I512-L515 PolarHBondContact O-N 3.11Å; I512-G516 PolarHBondContact O-N 2.84Å; I512-L517 HydrophobicContact CB-CD1 4.46Å; I512-L517 HydrophobicContact CG1-CD1 4.45Å; I512-L517 HydrophobicContact CG2-CB 3.73Å; I512-L517 HydrophobicContact CG2-CD1 4.1Å; I512-L517 PolarHBondContact O-N 2.71Å; I512-L517 VanDerWaalsContact O-N 3.15Å; I512-M521 HydrophobicContact CG2-CB 3.64Å; I512-H522 VanDerWaalsContact CG2-CD2 3.47Å; I512-H522 WeakPolarHBondContact CG2-CD2 3.36Å; I512-H522 WeakPolarHBondContact CG2-NE2 3.25Å; I512-V525 HydrophobicContact CD1-CG2 3.39Å; I512-V567 HydrophobicContact CD1-CG2 4.45Å; I512-V567 HydrophobicContact CG1-CG1 4.15Å; I512-V567 HydrophobicContact CG1-CG2 4.06Å; I512-L570 HydrophobicContact CD1-CD2 4.06Å
513	T	71.4	Confident	72.7	Confident	5 Å²	5	10.1 Å²	10.1	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-63.9	-40.3	171.4	-50.5	0	0	0	0	111.8	P411 H509 L515 G516 H522 L775 L780	P411-T513 HydrophobicContact CB-CG2 4.44Å; H509-T513 PolarHBondContact O-N 2.82Å; H509-T513 PolarHBondContact O-OG1 3.06Å; H509-T513 VanDerWaalsContact O-OG1 3.12Å; T513-L515 VanDerWaalsContact C-N 3.3Å; T513-L515 PolarHBondContact O-N 3.16Å; T513-G516 WeakPolarHBondContact O-CA 3.42Å; T513-G516 PolarHBondContact O-N 3.47Å; T513-H522 PolarHBondContact OG1-CE1 3.26Å; T513-H522 VanDerWaalsContact OG1-CE1 3.32Å; T513-L775 HydrophobicContact CG2-CD2 3.95Å; T513-L775 HydrophobicContact CG2-CG 4.01Å; T513-L780 HydrophobicContact CG2-CD2 4.38Å
514	A	70	Confident	72.7	Confident	20 Å²	20	9.7 Å²	9.7	17%	0.165	5%	0.052	C	C	.	.	H	α-helix	trans	-63.6	-35.2	178.1	0	0	0	0	0	112.7	R510 H511 G516 R627 F628	R510-A514 WeakPolarHBondContact O-CB 3.42Å; R510-A514 PolarHBondContact O-N 3.19Å; H511-A514 PolarHBondContact O-N 3.45Å; A514-G516 VanDerWaalsContact C-N 3.25Å; A514-G516 PolarHBondContact O-N 2.8Å; A514-R627 PolarHBondContact O-NE 2.9Å; A514-R627 PolarHBondContact O-NH2 3.31Å; A514-F628 WeakPolarHBondContact O-CZ 3.46Å
515	L	72.6	Confident	72.5	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.7	171.1	-73.2	167.6	0	0	0	113.5	H511 I512 T513 L517 V567 L571 W620 I624 I941	H511-L515 WeakPolarHBondContact O-CB 3.47Å; H511-L515 WeakPolarHBondContact O-CG 3.34Å; H511-L515 PolarHBondContact O-N 3.01Å; I512-L515 PolarHBondContact O-N 3.11Å; T513-L515 VanDerWaalsContact C-N 3.3Å; T513-L515 PolarHBondContact O-N 3.16Å; L515-L517 HydrophobicContact CB-CD1 3.96Å; L515-L517 HydrophobicContact CB-CG 4Å; L515-L517 HydrophobicContact CD1-CD1 4.08Å; L515-L517 PolarHBondContact O-N 3.3Å; L515-V567 HydrophobicContact CD1-CG1 3.78Å; L515-L571 HydrophobicContact CD1-CD1 4.14Å; L515-W620 PolarHBondContact O-NE1 2.95Å; L515-I624 HydrophobicContact CD2-CD1 3.87Å; L515-I941 HydrophobicContact CD2-CD1 3.49Å; L515-I941 VanDerWaalsContact CD2-CD1 3.49Å; L515-I941 HydrophobicContact CG-CD1 4.34Å
516	G	65.8	Low	72.3	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	46.8	-178.1	0	0	0	0	0	112.7	I512 T513 A514 W620 S777 F779	I512-G516 PolarHBondContact O-N 2.84Å; T513-G516 WeakPolarHBondContact O-CA 3.42Å; T513-G516 PolarHBondContact O-N 3.47Å; A514-G516 VanDerWaalsContact C-N 3.25Å; A514-G516 PolarHBondContact O-N 2.8Å; G516-W620 VanDerWaalsContact O-CD1 3.3Å; G516-W620 PolarHBondContact O-NE1 3.2Å; G516-S777 WeakPolarHBondContact CA-OG 3.48Å; G516-S777 PolarHBondContact O-OG 2.89Å; G516-F779 WeakPolarHBondContact O-CB 3.44Å
517	L	71.5	Confident	72.1	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.067	C	C	.	.			trans	-88.1	161	178.8	-75.5	166.4	0	0	0	112	I512 L515 M521 L571 F575 F615 W620	I512-L517 HydrophobicContact CB-CD1 4.46Å; I512-L517 HydrophobicContact CG1-CD1 4.45Å; I512-L517 HydrophobicContact CG2-CB 3.73Å; I512-L517 HydrophobicContact CG2-CD1 4.1Å; I512-L517 PolarHBondContact O-N 2.71Å; I512-L517 VanDerWaalsContact O-N 3.15Å; L515-L517 HydrophobicContact CB-CD1 3.96Å; L515-L517 HydrophobicContact CB-CG 4Å; L515-L517 HydrophobicContact CD1-CD1 4.08Å; L515-L517 PolarHBondContact O-N 3.3Å; L517-M521 HydrophobicContact CB-CB 4.31Å; L517-M521 HydrophobicContact CB-CG 4.14Å; L517-M521 HydrophobicContact CD1-CG 4.48Å; L517-M521 HydrophobicContact CD2-CE 4.47Å; L517-L571 HydrophobicContact CD1-CD1 4.46Å; L517-L571 HydrophobicContact CD1-CD2 3.86Å; L517-L571 HydrophobicContact CD1-CG 4.47Å; L517-L571 HydrophobicContact CD2-CD2 3.92Å; L517-F575 HydrophobicContact CD2-CE2 4.23Å; L517-F615 HydrophobicContact CD2-CZ 4.34Å; L517-W620 HydrophobicContact CD2-CH2 4.49Å; L517-W620 HydrophobicContact CD2-CZ2 3.57Å; L517-W620 HydrophobicContact CG-CZ2 4.2Å
518	P	63.2	Low	72.1	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.			trans	-50.1	143.8	171.4	-33.1	40	0	0	0	114.1	V520 M521 F615 F779 T782 L784	P518-V520 PolarHBondContact O-N 3.32Å; P518-V520 VanDerWaalsContact O-N 3.1Å; P518-M521 WeakPolarHBondContact O-CB 3.44Å; P518-M521 PolarHBondContact O-N 3.12Å; P518-F615 HydrophobicContact CG-CB 4.19Å; P518-F615 HydrophobicContact CG-CD2 3.48Å; P518-F615 VanDerWaalsContact CG-CD2 3.48Å; P518-F615 HydrophobicContact CG-CE2 3.94Å; P518-F615 HydrophobicContact CG-CG 3.86Å; P518-F779 WeakPolarHBondContact CA-O 3.37Å; P518-T782 WeakPolarHBondContact CB-O 3.31Å; P518-L784 HydrophobicContact CB-CD1 4.44Å; P518-L784 HydrophobicContact CB-CG 4.17Å; P518-L784 HydrophobicContact CG-CD2 4.19Å; P518-L784 HydrophobicContact CG-CG 4.25Å
519	V	63.1	Low	71.8	Confident	48 Å²	48	14 Å²	14	29%	0.291	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-35.6	170.7	159.4	0	0	0	0	112.2	L412 M521 H522 L780	L412-V519 HydrophobicContact CD1-CG2 4.19Å; L412-V519 HydrophobicContact CD2-CG2 4.24Å; V519-M521 PolarHBondContact O-N 2.81Å; V519-M521 VanDerWaalsContact O-N 3.08Å; V519-H522 VanDerWaalsContact O-CB 3.25Å; V519-H522 WeakPolarHBondContact O-CB 3.1Å; V519-H522 PolarHBondContact O-N 3.22Å; V519-L780 VanDerWaalsContact CG2-O 3.3Å; V519-L780 WeakPolarHBondContact CG2-O 3.24Å; V519-L780 PolarHBondContact N-O 3.39Å; V519-L780 VanDerWaalsContact N-O 3.09Å
520	V	62.5	Low	71.5	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-55.7	-27.9	176.7	178.7	0	0	0	0	113.6	P518 H522 E523 F524 L784 Y788	P518-V520 PolarHBondContact O-N 3.32Å; P518-V520 VanDerWaalsContact O-N 3.1Å; V520-H522 PolarHBondContact O-N 2.67Å; V520-E523 VanDerWaalsContact CA-OE2 3.3Å; V520-E523 WeakPolarHBondContact CA-OE2 3.33Å; V520-E523 WeakPolarHBondContact O-CB 3.31Å; V520-E523 PolarHBondContact O-N 3.49Å; V520-F524 HydrophobicContact CG1-CE2 3.8Å; V520-F524 HydrophobicContact CG1-CZ 3.85Å; V520-L784 HydrophobicContact CB-CB 4.35Å; V520-L784 HydrophobicContact CB-CD1 4.11Å; V520-L784 HydrophobicContact CB-CG 4.25Å; V520-L784 HydrophobicContact CG1-CB 4.3Å; V520-L784 HydrophobicContact CG1-CD1 4.02Å; V520-L784 HydrophobicContact CG1-CG 4.47Å; V520-L784 HydrophobicContact CG2-CB 4.19Å; V520-L784 HydrophobicContact CG2-CG 4.45Å; V520-Y788 HydrophobicContact CG1-CE2 3.78Å; V520-Y788 VanDerWaalsContact CG1-OH 3.3Å; V520-Y788 WeakPolarHBondContact CG1-OH 3.49Å; V520-Y788 HydrophobicContact CG2-CE2 4.15Å
521	M	68.3	Low	71.2	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67	-24.2	174.8	-73.3	-69.5	-160.8	0	0	113.4	I512 L517 P518 V519 E523 F524 L570 L571 V574 F575	I512-M521 HydrophobicContact CG2-CB 3.64Å; L517-M521 HydrophobicContact CB-CB 4.31Å; L517-M521 HydrophobicContact CB-CG 4.14Å; L517-M521 HydrophobicContact CD1-CG 4.48Å; L517-M521 HydrophobicContact CD2-CE 4.47Å; P518-M521 WeakPolarHBondContact O-CB 3.44Å; P518-M521 PolarHBondContact O-N 3.12Å; V519-M521 PolarHBondContact O-N 2.81Å; V519-M521 VanDerWaalsContact O-N 3.08Å; M521-E523 VanDerWaalsContact C-N 3.34Å; M521-F524 HydrophobicContact SD-CD2 4.1Å; M521-L570 HydrophobicContact SD-CD2 4.32Å; M521-L570 HydrophobicContact SD-CG 4.22Å; M521-L571 HydrophobicContact CE-CD2 3.88Å; M521-V574 HydrophobicContact CE-CB 3.88Å; M521-V574 HydrophobicContact CE-CG1 3.65Å; M521-V574 HydrophobicContact CE-CG2 4.17Å; M521-V574 HydrophobicContact SD-CB 4.38Å; M521-V574 HydrophobicContact SD-CG1 4.33Å; M521-V574 HydrophobicContact SD-CG2 4Å; M521-F575 HydrophobicContact CE-CD2 3.91Å; M521-F575 HydrophobicContact CE-CE1 4.26Å; M521-F575 HydrophobicContact CE-CE2 3.19Å; M521-F575 HydrophobicContact CE-CZ 3.4Å
522	H	72.4	Confident	70.9	Confident	13 Å²	13	15.5 Å²	15.5	6%	0.06	7%	0.074	C	C	.	.	H	α-helix	trans	-68.3	-36.7	174.1	-67.7	-118.3	0	0	0	110.8	H509 I512 T513 V519 V520 F524 V525	H509-H522 PolarHBondContact CE1-O 3.42Å; H509-H522 AromaticContact CG-ND1 3.64Å; H509-H522 AromaticContact ND1-CG 3.52Å; H509-H522 AromaticContact ND1-ND1 3.08Å; H509-H522 PolarHBondContact ND1-ND1 2.85Å; I512-H522 VanDerWaalsContact CG2-CD2 3.47Å; I512-H522 WeakPolarHBondContact CG2-CD2 3.36Å; I512-H522 WeakPolarHBondContact CG2-NE2 3.25Å; T513-H522 PolarHBondContact OG1-CE1 3.26Å; T513-H522 VanDerWaalsContact OG1-CE1 3.32Å; V519-H522 VanDerWaalsContact O-CB 3.25Å; V519-H522 WeakPolarHBondContact O-CB 3.1Å; V519-H522 PolarHBondContact O-N 3.22Å; V520-H522 PolarHBondContact O-N 2.67Å; H522-F524 VanDerWaalsContact C-N 3.29Å; H522-F524 PolarHBondContact O-N 3.23Å; H522-V525 VanDerWaalsContact O-CB 3.3Å; H522-V525 WeakPolarHBondContact O-CB 3.17Å; H522-V525 WeakPolarHBondContact O-CG2 3.13Å; H522-V525 PolarHBondContact O-N 3.03Å; H522-V525 VanDerWaalsContact O-N 3.08Å
523	E	68.1	Low	70.6	Confident	38 Å²	38	17.8 Å²	17.8	18%	0.178	9%	0.085	C	C	.	.	H	α-helix	trans	-64.8	-33.5	-177.4	-56.3	174.4	124.9	0	0	111.5	V520 M521 V525 P527 F814 I819	V520-E523 VanDerWaalsContact CA-OE2 3.3Å; V520-E523 WeakPolarHBondContact CA-OE2 3.33Å; V520-E523 WeakPolarHBondContact O-CB 3.31Å; V520-E523 PolarHBondContact O-N 3.49Å; M521-E523 VanDerWaalsContact C-N 3.34Å; E523-V525 VanDerWaalsContact C-N 3.29Å; E523-V525 PolarHBondContact O-N 3.4Å; E523-P527 WeakPolarHBondContact O-CD 3.13Å; E523-F814 VanDerWaalsContact OE1-CD1 3.28Å; E523-F814 WeakPolarHBondContact OE1-CD1 3.41Å; E523-I819 HydrophobicContact CB-CD1 4.08Å; E523-I819 HydrophobicContact CB-CG2 4.16Å; E523-I819 HydrophobicContact CG-CD1 4.18Å; E523-I819 VanDerWaalsContact OE1-CD1 3.25Å; E523-I819 WeakPolarHBondContact OE1-CD1 3.37Å; E523-I819 VanDerWaalsContact OE2-CD1 3.25Å; E523-I819 WeakPolarHBondContact OE2-CD1 3.4Å
524	F	71.5	Confident	70.4	Confident	1 Å²	1	23.5 Å²	23.5	0%	0.004	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.2	175.1	-57.1	-45.4	0	0	0	115	V520 M521 H522 L528 L570 V574 I819 W822 W823	V520-F524 HydrophobicContact CG1-CE2 3.8Å; V520-F524 HydrophobicContact CG1-CZ 3.85Å; M521-F524 HydrophobicContact SD-CD2 4.1Å; H522-F524 VanDerWaalsContact C-N 3.29Å; H522-F524 PolarHBondContact O-N 3.23Å; F524-L528 WeakPolarHBondContact O-CB 3.29Å; F524-L528 PolarHBondContact O-N 2.88Å; F524-L570 HydrophobicContact CB-CD1 3.55Å; F524-L570 HydrophobicContact CB-CD2 4.4Å; F524-L570 HydrophobicContact CD2-CD1 4.21Å; F524-L570 HydrophobicContact CG-CD1 4.23Å; F524-V574 HydrophobicContact CD2-CG2 3.93Å; F524-V574 HydrophobicContact CE2-CG2 4.04Å; F524-I819 HydrophobicContact CD1-CG2 3.94Å; F524-I819 HydrophobicContact CE1-CG2 3.59Å; F524-W822 HydrophobicContact CD1-CZ3 4.16Å; F524-W822 AromaticContact CE1-CE3 3.65Å; F524-W822 HydrophobicContact CE1-CE3 3.65Å; F524-W822 HydrophobicContact CE1-CH2 4.46Å; F524-W822 AromaticContact CE1-CZ3 3.32Å; F524-W822 HydrophobicContact CE1-CZ3 3.32Å; F524-W822 HydrophobicContact CE2-CZ3 4.43Å; F524-W822 HydrophobicContact CZ-CE3 4.12Å; F524-W822 HydrophobicContact CZ-CH2 4.28Å; F524-W822 AromaticContact CZ-CZ3 3.5Å; F524-W822 HydrophobicContact CZ-CZ3 3.5Å; F524-W822 VanDerWaalsContact CZ-CZ3 3.5Å; F524-W823 HydrophobicContact CB-CE3 4.01Å; F524-W823 HydrophobicContact CB-CH2 4.38Å; F524-W823 HydrophobicContact CB-CZ3 3.91Å; F524-W823 HydrophobicContact CD1-CD2 4.23Å; F524-W823 AromaticContact CD1-CE3 3.54Å; F524-W823 HydrophobicContact CD1-CE3 3.54Å; F524-W823 HydrophobicContact CD1-CZ3 4.12Å; F524-W823 HydrophobicContact CE1-CE3 4.21Å; F524-W823 AromaticContact CG-CE3 3.84Å; F524-W823 HydrophobicContact CG-CE3 3.84Å; F524-W823 AromaticContact CG-CZ3 3.93Å; F524-W823 HydrophobicContact CG-CZ3 3.93Å
525	V	74.3	Confident	70.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-47.5	178.7	176.9	0	0	0	0	111.1	M508 I512 H522 E523 L528 L529	M508-V525 HydrophobicContact CB-CG1 4.01Å; M508-V525 HydrophobicContact CB-CG2 4.36Å; M508-V525 HydrophobicContact CE-CB 4.47Å; M508-V525 HydrophobicContact CE-CG1 3.96Å; M508-V525 HydrophobicContact CE-CG2 4.23Å; M508-V525 HydrophobicContact SD-CG1 4.04Å; I512-V525 HydrophobicContact CD1-CG2 3.39Å; H522-V525 VanDerWaalsContact O-CB 3.3Å; H522-V525 WeakPolarHBondContact O-CB 3.17Å; H522-V525 WeakPolarHBondContact O-CG2 3.13Å; H522-V525 PolarHBondContact O-N 3.03Å; H522-V525 VanDerWaalsContact O-N 3.08Å; E523-V525 VanDerWaalsContact C-N 3.29Å; E523-V525 PolarHBondContact O-N 3.4Å; V525-L528 PolarHBondContact O-N 2.83Å; V525-L529 HydrophobicContact CG1-CD1 3.78Å; V525-L529 HydrophobicContact CG1-CG 4.28Å; V525-L529 WeakPolarHBondContact O-CG 3.35Å; V525-L529 PolarHBondContact O-N 2.6Å
526	R	73.3	Confident	69.7	Low	94 Å²	94	24.6 Å²	24.6	36%	0.355	11%	0.112	S	C	.	.	H	α-helix	trans	-63.1	-47.7	-176.4	-169.4	-172.9	-156.1	175.4	7.5	111.5	L528 L529 E530 D816 D994	R526-L528 PolarHBondContact O-N 2.87Å; R526-L529 PolarHBondContact O-N 2.86Å; R526-E530 WeakPolarHBondContact O-CG 3.47Å; R526-E530 PolarHBondContact O-N 3.2Å; R526-D816 IonicContact NH1-OD2 2.67Å; R526-D994 IonicContact CZ-OD1 2.6Å; R526-D994 IonicContact NH2-OD1 2.84Å; R526-D994 PolarHBondContact NH2-OD1 2.98Å
527	P	71.4	Confident	69.3	Low	11 Å²	11	29 Å²	29	7%	0.071	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-30.8	174.3	-26.1	38.5	0	0	0	115.1	E523 R531 R820 W823	E523-P527 WeakPolarHBondContact O-CD 3.13Å; P527-R531 WeakPolarHBondContact O-CB 3.45Å; P527-R531 PolarHBondContact O-N 3.23Å; P527-R531 VanDerWaalsContact O-N 3.07Å; P527-R820 HydrophobicContact CG-CG 4.47Å; P527-W823 HydrophobicContact CB-CB 4.26Å; P527-W823 HydrophobicContact CB-CD2 4.43Å; P527-W823 HydrophobicContact CB-CG 3.7Å; P527-W823 HydrophobicContact CG-CG 4.43Å
528	L	77.1	Confident	68.3	Low	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.7	-41.1	174.1	179.4	53.7	0	0	0	111.7	M508 F524 V525 R526 R531 L532 L566 L570 W823 L961 W963	M508-L528 HydrophobicContact CE-CD2 4.07Å; F524-L528 WeakPolarHBondContact O-CB 3.29Å; F524-L528 PolarHBondContact O-N 2.88Å; V525-L528 PolarHBondContact O-N 2.83Å; R526-L528 PolarHBondContact O-N 2.87Å; L528-R531 WeakPolarHBondContact O-CB 3.43Å; L528-R531 PolarHBondContact O-N 2.84Å; L528-L532 PolarHBondContact O-N 3.33Å; L528-L566 HydrophobicContact CD2-CD2 4.45Å; L528-L570 HydrophobicContact CD2-CB 4.14Å; L528-W823 HydrophobicContact CB-CZ2 3.89Å; L528-W823 HydrophobicContact CD1-CZ2 4.26Å; L528-W823 HydrophobicContact CG-CZ2 4.46Å; L528-L961 HydrophobicContact CD1-CD1 4.36Å; L528-W963 HydrophobicContact CD1-CH2 4.19Å
529	L	77.2	Confident	67.4	Low	8 Å²	8	37.6 Å²	37.6	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-69.2	-39.7	174.9	-68.9	177.4	0	0	0	112.2	L504 M508 V525 R526 R531 L532 Q533 L566 L991	L504-L529 HydrophobicContact CD2-CD2 3.77Å; L504-L529 HydrophobicContact CG-CD2 4.05Å; M508-L529 HydrophobicContact SD-CD1 4.31Å; M508-L529 HydrophobicContact SD-CD2 3.83Å; M508-L529 HydrophobicContact SD-CG 4.14Å; V525-L529 HydrophobicContact CG1-CD1 3.78Å; V525-L529 HydrophobicContact CG1-CG 4.28Å; V525-L529 WeakPolarHBondContact O-CG 3.35Å; V525-L529 PolarHBondContact O-N 2.6Å; R526-L529 PolarHBondContact O-N 2.86Å; L529-R531 VanDerWaalsContact C-N 3.26Å; L529-R531 PolarHBondContact O-N 2.82Å; L529-L532 HydrophobicContact CD2-CD2 4.25Å; L529-L532 PolarHBondContact O-N 2.81Å; L529-Q533 WeakPolarHBondContact O-CB 3.38Å; L529-Q533 PolarHBondContact O-N 2.88Å; L529-L566 HydrophobicContact CD2-CD1 4.17Å; L529-L991 HydrophobicContact CD2-CD2 4.2Å
530	E	73.2	Confident	66.3	Low	31 Å²	31	42.2 Å²	42.2	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-56.2	-41.2	169.2	-81.1	-168.3	-127.4	0	0	111.8	R526 Q533 K534 R820	R526-E530 WeakPolarHBondContact O-CG 3.47Å; R526-E530 PolarHBondContact O-N 3.2Å; E530-Q533 PolarHBondContact O-N 3.21Å; E530-K534 WeakPolarHBondContact O-CB 3.18Å; E530-K534 WeakPolarHBondContact O-CD 3.32Å; E530-K534 WeakPolarHBondContact O-CG 3.35Å; E530-K534 PolarHBondContact O-N 2.76Å; E530-K534 IonicContact OE2-NZ 2.63Å; E530-K534 PolarHBondContact OE2-NZ 3.1Å; E530-R820 IonicContact OE1-CZ 2.98Å; E530-R820 VanDerWaalsContact OE1-CZ 3.27Å; E530-R820 IonicContact OE1-NE 3.11Å; E530-R820 PolarHBondContact OE1-NE 3.21Å; E530-R820 IonicContact OE1-NH2 2.88Å; E530-R820 PolarHBondContact OE1-NH2 3.01Å; E530-R820 IonicContact OE2-CZ 2.9Å; E530-R820 IonicContact OE2-NE 2.71Å; E530-R820 IonicContact OE2-NH2 3.3Å; E530-R820 PolarHBondContact OE2-NH2 3.05Å
531	R	71.5	Confident	65.4	Low	55 Å²	55	50.2 Å²	50.2	21%	0.208	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-44.5	178.6	-171.9	74.8	-176.6	113.3	14.3	111.1	P527 L528 L529 K534 E535 I827 L961	P527-R531 WeakPolarHBondContact O-CB 3.45Å; P527-R531 PolarHBondContact O-N 3.23Å; P527-R531 VanDerWaalsContact O-N 3.07Å; L528-R531 WeakPolarHBondContact O-CB 3.43Å; L528-R531 PolarHBondContact O-N 2.84Å; L529-R531 VanDerWaalsContact C-N 3.26Å; L529-R531 PolarHBondContact O-N 2.82Å; R531-K534 PolarHBondContact O-N 2.82Å; R531-E535 IonicContact CZ-OE1 3.99Å; R531-E535 IonicContact NH1-OE1 2.64Å; R531-E535 PolarHBondContact NH1-OE1 3.41Å; R531-E535 IonicContact NH2-OE1 3.53Å; R531-E535 PolarHBondContact NH2-OE1 2.94Å; R531-E535 WeakPolarHBondContact O-CB 3.16Å; R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 3.31Å; R531-E535 VanDerWaalsContact O-N 3.07Å; R531-I827 HydrophobicContact CB-CD1 4.4Å; R531-I827 HydrophobicContact CG-CD1 4.08Å; R531-L961 HydrophobicContact CG-CD2 4.21Å
532	L	73.9	Confident	64.2	Low	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-46.6	175.2	-172.5	67.5	0	0	0	110.9	L504 L528 L529 E535 C536 L566 L957 L961 L986	L504-L532 HydrophobicContact CD2-CD2 4.43Å; L528-L532 PolarHBondContact O-N 3.33Å; L529-L532 HydrophobicContact CD2-CD2 4.25Å; L529-L532 PolarHBondContact O-N 2.81Å; L532-E535 PolarHBondContact O-N 3.08Å; L532-C536 WeakPolarHBondContact O-CB 3.46Å; L532-C536 PolarHBondContact O-N 2.79Å; L532-C536 PolarHBondContact O-SG 2.89Å; L532-L566 HydrophobicContact CD2-CD1 4.18Å; L532-L566 HydrophobicContact CD2-CD2 4.46Å; L532-L957 HydrophobicContact CD1-CD2 4.03Å; L532-L961 HydrophobicContact CB-CD2 4.19Å; L532-L961 HydrophobicContact CD1-CD2 3.91Å; L532-L961 HydrophobicContact CD1-CG 4.18Å; L532-L986 HydrophobicContact CD2-CD2 3.88Å; L532-L986 HydrophobicContact CG-CD2 4.23Å
533	Q	70.4	Confident	62.9	Low	48 Å²	48	59.7 Å²	59.7	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-49.7	177.2	-169.7	176.1	25.2	0	0	112.2	L529 E530 E535 C536 I537 L991 N992	L529-Q533 WeakPolarHBondContact O-CB 3.38Å; L529-Q533 PolarHBondContact O-N 2.88Å; E530-Q533 PolarHBondContact O-N 3.21Å; Q533-E535 VanDerWaalsContact C-N 3.29Å; Q533-E535 PolarHBondContact O-N 3.11Å; Q533-C536 PolarHBondContact O-N 3.47Å; Q533-I537 HydrophobicContact CG-CD1 3.58Å; Q533-I537 HydrophobicContact CG-CG1 4.2Å; Q533-I537 PolarHBondContact O-N 3.03Å; Q533-L991 HydrophobicContact CB-CD1 4.1Å; Q533-L991 HydrophobicContact CG-CD1 4.21Å; Q533-N992 PolarHBondContact NE2-OD1 3.12Å
534	K	68.3	Low	61.9	Low	125 Å²	125	66.5 Å²	66.5	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-26.5	-179.8	-71.4	165.3	-169.8	169.5	0	113.9	E530 R531	E530-K534 WeakPolarHBondContact O-CB 3.18Å; E530-K534 WeakPolarHBondContact O-CD 3.32Å; E530-K534 WeakPolarHBondContact O-CG 3.35Å; E530-K534 PolarHBondContact O-N 2.76Å; E530-K534 IonicContact OE2-NZ 2.63Å; E530-K534 PolarHBondContact OE2-NZ 3.1Å; R531-K534 PolarHBondContact O-N 2.82Å
535	E	66.6	Low	60.6	Low	34 Å²	34	72.8 Å²	72.8	16%	0.159	35%	0.351	C	S	.	.	H	α-helix	trans	-92.4	-17.7	177.5	-71.7	-66.3	170.7	0	0	113.8	R531 L532 Q533 K962	R531-E535 IonicContact CZ-OE1 3.99Å; R531-E535 IonicContact NH1-OE1 2.64Å; R531-E535 PolarHBondContact NH1-OE1 3.41Å; R531-E535 IonicContact NH2-OE1 3.53Å; R531-E535 PolarHBondContact NH2-OE1 2.94Å; R531-E535 WeakPolarHBondContact O-CB 3.16Å; R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 3.31Å; R531-E535 VanDerWaalsContact O-N 3.07Å; L532-E535 PolarHBondContact O-N 3.08Å; Q533-E535 VanDerWaalsContact C-N 3.29Å; Q533-E535 PolarHBondContact O-N 3.11Å; E535-K962 VanDerWaalsContact OE2-CD 3.31Å; E535-K962 WeakPolarHBondContact OE2-CD 3.49Å; E535-K962 WeakPolarHBondContact OE2-CE 3.47Å; E535-K962 IonicContact OE2-NZ 3.37Å; E535-K962 PolarHBondContact OE2-NZ 2.86Å
536	C	61.2	Low	59.3	Low	8 Å²	8	76.3 Å²	76.3	5%	0.054	38%	0.375	C	S	.	.	H	α-helix	trans	-116.3	-13.6	-172.1	-56.3	0	0	0	0	115.7	L532 Q533 P538 Y983 L986	L532-C536 WeakPolarHBondContact O-CB 3.46Å; L532-C536 PolarHBondContact O-N 2.79Å; L532-C536 PolarHBondContact O-SG 2.89Å; Q533-C536 PolarHBondContact O-N 3.47Å; C536-P538 WeakPolarHBondContact O-CD 3.43Å; C536-Y983 HydrophobicContact CB-CD1 3.97Å; C536-Y983 HydrophobicContact CB-CE1 3.82Å; C536-Y983 WeakPolarHBondContact O-CD1 3.38Å; C536-L986 HydrophobicContact CB-CD1 3.38Å
537	I	57.1	Low	58.1	Low	92 Å²	92	72.8 Å²	72.8	47%	0.472	36%	0.363	S	S	.	.	S	Bend	trans	-92.6	103.8	167.7	-59.5	-174.8	0	0	0	108.5	Q533 V539	Q533-I537 HydrophobicContact CG-CD1 3.58Å; Q533-I537 HydrophobicContact CG-CG1 4.2Å; Q533-I537 PolarHBondContact O-N 3.03Å; I537-V539 PolarHBondContact O-N 2.91Å
538	P	50.4	Low	57.1	Low	56 Å²	56	74.2 Å²	74.2	36%	0.364	37%	0.37	S	S	.	.			trans	-63.9	125.6	164.9	27.8	-34.3	0	0	0	109.2	C536 D540 I543	C536-P538 WeakPolarHBondContact O-CD 3.43Å; P538-D540 VanDerWaalsContact C-N 3.3Å; P538-D540 PolarHBondContact O-N 2.91Å; P538-I543 HydrophobicContact CG-CD1 3.68Å; P538-I543 HydrophobicContact CG-CG1 4.38Å
539	V	43.3	Very low	55.9	Low	127 Å²	127	77.2 Å²	77.2	77%	0.77	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.5	-165.2	178.5	0	0	0	0	113.9	I537	I537-V539 PolarHBondContact O-N 2.91Å
540	D	40.1	Very low	54.7	Low	145 Å²	145	78.7 Å²	78.7	78%	0.775	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	40.7	-165.9	-53.5	-79.9	0	0	0	114.2	P538	P538-D540 VanDerWaalsContact C-N 3.3Å; P538-D540 PolarHBondContact O-N 2.91Å
541	K	44.1	Very low	54	Low	168 Å²	168	77.6 Å²	77.6	73%	0.73	40%	0.397	S	S	*	.			trans	-142.9	130.2	174.9	-67.9	-162.2	175.7	-157.7	0	115	I543	K541-I543 VanDerWaalsContact O-CG1 3.26Å; K541-I543 WeakPolarHBondContact O-CG1 3.49Å; K541-I543 PolarHBondContact O-N 3.37Å
542	D	42.2	Very low	53.8	Low	152 Å²	152	76.2 Å²	76.2	81%	0.813	40%	0.396	S	S	*	.			trans	-67.9	86.5	171.2	-65.4	-61.2	0	0	0	112.3	Y544	D542-Y544 PolarHBondContact O-N 2.95Å
543	I	45.6	Very low	53.6	Low	61 Å²	61	77.6 Å²	77.6	31%	0.313	40%	0.401	S	S	.	.			trans	-74.5	1.4	176.6	-18.7	-179.5	0	0	0	112.5	P538 K541 H545 L547	P538-I543 HydrophobicContact CG-CD1 3.68Å; P538-I543 HydrophobicContact CG-CG1 4.38Å; K541-I543 VanDerWaalsContact O-CG1 3.26Å; K541-I543 WeakPolarHBondContact O-CG1 3.49Å; K541-I543 PolarHBondContact O-N 3.37Å; I543-H545 PolarHBondContact O-N 2.99Å; I543-H545 VanDerWaalsContact O-N 3.17Å; I543-L547 HydrophobicContact CB-CD1 4.14Å; I543-L547 HydrophobicContact CG2-CD1 3.89Å; I543-L547 HydrophobicContact CG2-CD2 3.78Å; I543-L547 HydrophobicContact CG2-CG 4.07Å; I543-L547 WeakPolarHBondContact O-CD1 3.42Å; I543-L547 VanDerWaalsContact O-CG 3.24Å; I543-L547 WeakPolarHBondContact O-CG 3.01Å
544	Y	47.9	Very low	53.7	Low	181 Å²	181	79.4 Å²	79.4	71%	0.71	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15	-152.8	-90.7	-84.5	0	0	0	117.9	D542	D542-Y544 PolarHBondContact O-N 2.95Å
545	H	44.4	Very low	53.8	Low	133 Å²	133	75.8 Å²	75.8	62%	0.616	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-36.9	-169.9	-63.6	-69	0	0	0	116.2	I543 L547	I543-H545 PolarHBondContact O-N 2.99Å; I543-H545 VanDerWaalsContact O-N 3.17Å; H545-L547 VanDerWaalsContact C-N 3.31Å; H545-L547 PolarHBondContact O-N 3.3Å
546	S	45.2	Very low	54.2	Low	73 Å²	73	74.3 Å²	74.3	51%	0.51	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.6	-176.2	-175.5	0	0	0	0	114	L548 S549	S546-L548 VanDerWaalsContact C-N 3.34Å; S546-L548 PolarHBondContact O-N 2.78Å; S546-S549 PolarHBondContact O-N 3.29Å; S546-S549 PolarHBondContact O-OG 2.63Å
547	L	49.5	Very low	55	Low	21 Å²	21	73.9 Å²	73.9	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-62.7	-31.7	-164.8	-59.8	171.5	0	0	0	114.4	I543 H545 S549 S550 T551 A984	I543-L547 HydrophobicContact CB-CD1 4.14Å; I543-L547 HydrophobicContact CG2-CD1 3.89Å; I543-L547 HydrophobicContact CG2-CD2 3.78Å; I543-L547 HydrophobicContact CG2-CG 4.07Å; I543-L547 WeakPolarHBondContact O-CD1 3.42Å; I543-L547 VanDerWaalsContact O-CG 3.24Å; I543-L547 WeakPolarHBondContact O-CG 3.01Å; H545-L547 VanDerWaalsContact C-N 3.31Å; H545-L547 PolarHBondContact O-N 3.3Å; L547-S549 PolarHBondContact O-N 3.12Å; L547-S550 PolarHBondContact O-N 2.84Å; L547-S550 VanDerWaalsContact O-N 3.13Å; L547-S550 PolarHBondContact O-OG 2.94Å; L547-T551 WeakPolarHBondContact O-CB 3.3Å; L547-T551 PolarHBondContact O-N 3.41Å; L547-T551 PolarHBondContact O-OG1 2.97Å; L547-A984 HydrophobicContact CB-CB 3.93Å; L547-A984 HydrophobicContact CD2-CB 3.63Å; L547-A984 HydrophobicContact CG-CB 4.24Å
548	L	50.9	Low	56.3	Low	41 Å²	41	70.4 Å²	70.4	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-56.2	-26	179	-79.8	165.1	0	0	0	113.4	S546 W553	S546-L548 VanDerWaalsContact C-N 3.34Å; S546-L548 PolarHBondContact O-N 2.78Å; L548-W553 HydrophobicContact CD2-CH2 3.93Å; L548-W553 HydrophobicContact CD2-CZ2 4.03Å
549	S	50.4	Low	57.8	Low	63 Å²	63	67.7 Å²	67.7	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-87.2	-28.6	-179.3	72.1	0	0	0	0	114.4	S546 L547	S546-S549 PolarHBondContact O-N 3.29Å; S546-S549 PolarHBondContact O-OG 2.63Å; L547-S549 PolarHBondContact O-N 3.12Å
550	S	51.8	Low	59.8	Low	38 Å²	38	61.7 Å²	61.7	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-98.2	-9.9	-180	57.5	0	0	0	0	113.6	L547	L547-S550 PolarHBondContact O-N 2.84Å; L547-S550 VanDerWaalsContact O-N 3.13Å; L547-S550 PolarHBondContact O-OG 2.94Å
551	T	59.3	Low	62	Low	8 Å²	8	55 Å²	55	5%	0.049	28%	0.281	C	S	.	.			trans	-61.7	125.9	-176.1	-67	0	0	0	0	112.4	L547 W553 V556 F988	L547-T551 WeakPolarHBondContact O-CB 3.3Å; L547-T551 PolarHBondContact O-N 3.41Å; L547-T551 PolarHBondContact O-OG1 2.97Å; T551-W553 HydrophobicContact CG2-CD2 3.74Å; T551-W553 HydrophobicContact CG2-CE3 3.66Å; T551-W553 HydrophobicContact CG2-CH2 3.55Å; T551-W553 HydrophobicContact CG2-CZ2 3.64Å; T551-W553 HydrophobicContact CG2-CZ3 3.56Å; T551-W553 PolarHBondContact O-N 3.45Å; T551-W553 PolarHBondContact O-NE1 3.13Å; T551-V556 HydrophobicContact CG2-CG2 3.42Å; T551-V556 VanDerWaalsContact CG2-CG2 3.42Å; T551-F988 HydrophobicContact CG2-CD2 4.22Å; T551-F988 HydrophobicContact CG2-CE2 3.52Å; T551-F988 HydrophobicContact CG2-CZ 4Å; T551-F988 WeakPolarHBondContact OG1-CE2 3.48Å
552	P	66.8	Low	63.9	Low	27 Å²	27	47.2 Å²	47.2	18%	0.175	25%	0.247	C	C	.	.			trans	-81.6	81.9	178.2	33.3	-33.3	0	0	0	110.3	P554 R555 V556 V981	P552-P554 VanDerWaalsContact C-CD 3.4Å; P552-P554 VanDerWaalsContact C-N 3.31Å; P552-P554 VanDerWaalsContact O-N 3.09Å; P552-R555 HydrophobicContact CB-CB 4.35Å; P552-R555 HydrophobicContact CB-CG 4.21Å; P552-R555 HydrophobicContact CG-CB 4.14Å; P552-R555 HydrophobicContact CG-CG 4.34Å; P552-R555 WeakPolarHBondContact O-CA 3.44Å; P552-R555 WeakPolarHBondContact O-CB 3.25Å; P552-R555 PolarHBondContact O-N 2.8Å; P552-V556 PolarHBondContact O-N 3.35Å; P552-V981 HydrophobicContact CB-CG1 4.27Å; P552-V981 HydrophobicContact CG-CG1 3.81Å
553	W	70.1	Confident	66	Low	29 Å²	29	40 Å²	40	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-48.4	-38	-174.7	-60.6	112.1	0	0	0	115.9	F499 L548 T551 R555 V556 V557 F988	F499-W553 HydrophobicContact CD2-CE3 4.01Å; F499-W553 AromaticContact CD2-CZ3 3.56Å; F499-W553 HydrophobicContact CD2-CZ3 3.56Å; F499-W553 AromaticContact CE2-CE3 3.59Å; F499-W553 HydrophobicContact CE2-CE3 3.59Å; F499-W553 AromaticContact CE2-CZ3 3.64Å; F499-W553 HydrophobicContact CE2-CZ3 3.64Å; L548-W553 HydrophobicContact CD2-CH2 3.93Å; L548-W553 HydrophobicContact CD2-CZ2 4.03Å; T551-W553 HydrophobicContact CG2-CD2 3.74Å; T551-W553 HydrophobicContact CG2-CE3 3.66Å; T551-W553 HydrophobicContact CG2-CH2 3.55Å; T551-W553 HydrophobicContact CG2-CZ2 3.64Å; T551-W553 HydrophobicContact CG2-CZ3 3.56Å; T551-W553 PolarHBondContact O-N 3.45Å; T551-W553 PolarHBondContact O-NE1 3.13Å; W553-R555 VanDerWaalsContact C-N 3.25Å; W553-R555 PolarHBondContact O-N 3.5Å; W553-V556 HydrophobicContact CE3-CB 4.18Å; W553-V556 HydrophobicContact CE3-CG1 4.3Å; W553-V556 HydrophobicContact CE3-CG2 4.18Å; W553-V556 HydrophobicContact CZ3-CG1 4.27Å; W553-V556 HydrophobicContact CZ3-CG2 4.37Å; W553-V556 PolarHBondContact O-N 3.28Å; W553-V557 WeakPolarHBondContact O-CB 3.45Å; W553-V557 VanDerWaalsContact O-CG2 3.3Å; W553-V557 WeakPolarHBondContact O-CG2 3.46Å; W553-V557 PolarHBondContact O-N 2.84Å; W553-F988 AromaticContact CH2-CE1 3.87Å; W553-F988 HydrophobicContact CH2-CE1 3.87Å; W553-F988 HydrophobicContact CH2-CE2 4.29Å; W553-F988 AromaticContact CH2-CZ 3.49Å; W553-F988 HydrophobicContact CH2-CZ 3.49Å; W553-F988 VanDerWaalsContact CH2-CZ 3.49Å; W553-F988 AromaticContact CZ3-CE1 3.92Å; W553-F988 HydrophobicContact CZ3-CE1 3.92Å; W553-F988 HydrophobicContact CZ3-CE2 4.44Å; W553-F988 AromaticContact CZ3-CZ 3.83Å; W553-F988 HydrophobicContact CZ3-CZ 3.83Å
554	P	72	Confident	68.1	Low	86 Å²	86	37 Å²	37	56%	0.558	19%	0.194	S	C	*	.	H	α-helix	trans	-63.1	-23.2	174	-24.9	36.3	0	0	0	115.4	P552 R558	P552-P554 VanDerWaalsContact C-CD 3.4Å; P552-P554 VanDerWaalsContact C-N 3.31Å; P552-P554 VanDerWaalsContact O-N 3.09Å; P554-R558 WeakPolarHBondContact O-CG 3.49Å
555	R	71.5	Confident	69.9	Low	49 Å²	49	28.4 Å²	28.4	19%	0.185	16%	0.16	C	C	.	.	H	α-helix	trans	-82.3	-45.4	173	-62.7	172.1	68.8	-157.1	1.6	110.7	P552 W553 V557 R558 E953 D982 L985	P552-R555 HydrophobicContact CB-CB 4.35Å; P552-R555 HydrophobicContact CB-CG 4.21Å; P552-R555 HydrophobicContact CG-CB 4.14Å; P552-R555 HydrophobicContact CG-CG 4.34Å; P552-R555 WeakPolarHBondContact O-CA 3.44Å; P552-R555 WeakPolarHBondContact O-CB 3.25Å; P552-R555 PolarHBondContact O-N 2.8Å; W553-R555 VanDerWaalsContact C-N 3.25Å; W553-R555 PolarHBondContact O-N 3.5Å; R555-V557 PolarHBondContact O-N 2.98Å; R555-R558 CarbonylContact O-C 3.58Å; R555-R558 PolarHBondContact O-N 3.42Å; R555-E953 WeakPolarHBondContact CD-OE1 3.3Å; R555-E953 WeakPolarHBondContact CG-OE1 3.25Å; R555-E953 IonicContact CZ-OE1 3.95Å; R555-E953 IonicContact CZ-OE2 2.69Å; R555-E953 VanDerWaalsContact CZ-OE2 3.3Å; R555-E953 VanDerWaalsContact NE-CD 3.34Å; R555-E953 IonicContact NE-OE1 3.32Å; R555-E953 PolarHBondContact NE-OE1 2.87Å; R555-E953 IonicContact NE-OE2 2.82Å; R555-E953 PolarHBondContact NE-OE2 3.32Å; R555-E953 VanDerWaalsContact NE-OE2 3.09Å; R555-E953 IonicContact NH2-OE1 2.99Å; R555-E953 IonicContact NH2-OE2 2.6Å; R555-E953 PolarHBondContact NH2-OE2 2.79Å; R555-D982 IonicContact CZ-OD1 3.12Å; R555-D982 VanDerWaalsContact CZ-OD1 3.28Å; R555-D982 IonicContact NH1-OD1 3.58Å; R555-D982 PolarHBondContact NH1-OD1 2.95Å; R555-D982 IonicContact NH2-OD1 2.67Å; R555-D982 PolarHBondContact NH2-OD1 3.19Å; R555-L985 HydrophobicContact CB-CD1 4.24Å; R555-L985 HydrophobicContact CB-CD2 4.18Å; R555-L985 VanDerWaalsContact CZ-CD2 3.48Å
556	V	73.7	Confident	71.9	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-37.9	175.4	-179.3	0	0	0	0	112.1	F499 T551 P552 W553 R558 L985 F988	F499-V556 HydrophobicContact CD2-CG1 4.37Å; F499-V556 HydrophobicContact CG-CG1 4.5Å; T551-V556 HydrophobicContact CG2-CG2 3.42Å; T551-V556 VanDerWaalsContact CG2-CG2 3.42Å; P552-V556 PolarHBondContact O-N 3.35Å; W553-V556 HydrophobicContact CE3-CB 4.18Å; W553-V556 HydrophobicContact CE3-CG1 4.3Å; W553-V556 HydrophobicContact CE3-CG2 4.18Å; W553-V556 HydrophobicContact CZ3-CG1 4.27Å; W553-V556 HydrophobicContact CZ3-CG2 4.37Å; W553-V556 PolarHBondContact O-N 3.28Å; V556-R558 PolarHBondContact O-N 3.07Å; V556-L985 HydrophobicContact CB-CD1 4.42Å; V556-L985 HydrophobicContact CG2-CD1 3.67Å; V556-F988 HydrophobicContact CG1-CB 4.25Å; V556-F988 HydrophobicContact CG1-CD1 4.35Å; V556-F988 HydrophobicContact CG1-CG 4.1Å; V556-F988 HydrophobicContact CG2-CD2 4.06Å; V556-F988 HydrophobicContact CG2-CE2 4.48Å; V556-F988 HydrophobicContact CG2-CG 4.45Å
557	V	78.3	Confident	73.9	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.2	178.8	165.6	0	0	0	0	113.1	L435 A484 T487 F499 W553 R555 P559	L435-V557 HydrophobicContact CD1-CG1 3.45Å; L435-V557 VanDerWaalsContact CD1-CG1 3.45Å; L435-V557 HydrophobicContact CG-CG1 4.44Å; A484-V557 HydrophobicContact CB-CG1 4.29Å; T487-V557 HydrophobicContact CG2-CG1 3.73Å; T487-V557 HydrophobicContact CG2-CG2 4.12Å; F499-V557 HydrophobicContact CE1-CG2 4.25Å; F499-V557 HydrophobicContact CZ-CG2 3.86Å; W553-V557 WeakPolarHBondContact O-CB 3.45Å; W553-V557 VanDerWaalsContact O-CG2 3.3Å; W553-V557 WeakPolarHBondContact O-CG2 3.46Å; W553-V557 PolarHBondContact O-N 2.84Å; R555-V557 PolarHBondContact O-N 2.98Å; V557-P559 VanDerWaalsContact C-CD 3.4Å
558	R	83.8	Confident	75.6	Confident	18 Å²	18	17.6 Å²	17.6	7%	0.068	10%	0.101	C	C	.	.			trans	-125.5	53.3	179.6	-64.5	-55.5	-47	-70.4	6.6	112.8	I480 A484 P554 R555 V556 E560 V561 C942 G943	I480-R558 VanDerWaalsContact CG1-CZ 3.47Å; A484-R558 HydrophobicContact CB-CG 4.23Å; P554-R558 WeakPolarHBondContact O-CG 3.49Å; R555-R558 CarbonylContact O-C 3.58Å; R555-R558 PolarHBondContact O-N 3.42Å; V556-R558 PolarHBondContact O-N 3.07Å; R558-E560 WeakPolarHBondContact CA-OE2 3.28Å; R558-E560 IonicContact CZ-OE1 2.71Å; R558-E560 IonicContact NE-OE1 2.69Å; R558-E560 PolarHBondContact NE-OE1 2.93Å; R558-E560 IonicContact NE-OE2 2.6Å; R558-E560 VanDerWaalsContact NH2-CD 3.34Å; R558-E560 IonicContact NH2-OE1 3.09Å; R558-E560 PolarHBondContact NH2-OE1 3.25Å; R558-E560 PolarHBondContact O-N 2.93Å; R558-E560 VanDerWaalsContact O-N 3.12Å; R558-V561 HydrophobicContact CB-CG2 4.11Å; R558-V561 PolarHBondContact O-N 3.09Å; R558-C942 PolarHBondContact NH2-O 2.83Å; R558-G943 PolarHBondContact NH1-O 2.79Å; R558-G943 PolarHBondContact NH2-O 3.41Å
559	P	82.2	Confident	77.1	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-24.9	-175.5	31.1	-40	0	0	0	113.4	Y502 L507 V557 V561 F562 A563 F989	Y502-P559 HydrophobicContact CD1-CB 4.03Å; Y502-P559 HydrophobicContact CD1-CG 3.69Å; Y502-P559 HydrophobicContact CE1-CB 4.39Å; Y502-P559 HydrophobicContact CE1-CG 3.63Å; Y502-P559 HydrophobicContact CG-CB 4.24Å; Y502-P559 HydrophobicContact CG-CG 4.34Å; L507-P559 HydrophobicContact CD1-CB 3.84Å; L507-P559 HydrophobicContact CD1-CG 4.34Å; V557-P559 VanDerWaalsContact C-CD 3.4Å; P559-V561 VanDerWaalsContact C-N 3.27Å; P559-V561 PolarHBondContact O-N 3.39Å; P559-F562 PolarHBondContact O-N 3.02Å; P559-A563 WeakPolarHBondContact O-CB 3.43Å; P559-A563 PolarHBondContact O-N 3.03Å; P559-F989 HydrophobicContact CB-CE1 3.73Å; P559-F989 HydrophobicContact CB-CZ 4Å
560	E	85.3	Confident	78.5	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-26.3	176.2	68.8	-87.6	-148.3	0	0	113.4	T434 K436 H511 R558 M564 C942	T434-E560 HydrophobicContact CG2-CB 4Å; K436-E560 HydrophobicContact CB-CG 4.23Å; K436-E560 PolarHBondContact N-OE1 3.08Å; H511-E560 PolarHBondContact NE2-O 3.37Å; R558-E560 WeakPolarHBondContact CA-OE2 3.28Å; R558-E560 IonicContact CZ-OE1 2.71Å; R558-E560 IonicContact NE-OE1 2.69Å; R558-E560 PolarHBondContact NE-OE1 2.93Å; R558-E560 IonicContact NE-OE2 2.6Å; R558-E560 VanDerWaalsContact NH2-CD 3.34Å; R558-E560 IonicContact NH2-OE1 3.09Å; R558-E560 PolarHBondContact NH2-OE1 3.25Å; R558-E560 PolarHBondContact O-N 2.93Å; R558-E560 VanDerWaalsContact O-N 3.12Å; E560-M564 WeakPolarHBondContact O-CB 3.25Å; E560-M564 PolarHBondContact O-N 3.34Å; E560-M564 VanDerWaalsContact O-N 3.1Å; E560-C942 HydrophobicContact CG-CB 4.37Å; E560-C942 WeakPolarHBondContact CG-O 3.2Å; E560-C942 WeakPolarHBondContact O-CB 3.29Å
561	V	86	Confident	79.8	Confident	4 Å²	4	11 Å²	11	2%	0.024	6%	0.058	C	C	.	.	H	α-helix	trans	-76.3	-39.1	176.2	-173.7	0	0	0	0	110.3	R558 P559 A565 A944 L950 E953	R558-V561 HydrophobicContact CB-CG2 4.11Å; R558-V561 PolarHBondContact O-N 3.09Å; P559-V561 VanDerWaalsContact C-N 3.27Å; P559-V561 PolarHBondContact O-N 3.39Å; V561-A565 PolarHBondContact O-N 3.25Å; V561-A944 HydrophobicContact CG1-CB 4.39Å; V561-L950 HydrophobicContact CG1-CB 4.49Å; V561-L950 HydrophobicContact CG1-CD1 4.1Å; V561-E953 HydrophobicContact CG1-CG 4.02Å
562	F	85.5	Confident	80.6	Confident	4 Å²	4	11.7 Å²	11.7	2%	0.018	6%	0.06	C	C	.	.	H	α-helix	trans	-68.2	-44.6	176.8	-171.2	-99.8	0	0	0	112.1	L504 P559 A565 L566 L957 L985 L986 F989	L504-F562 HydrophobicContact CD1-CD1 4.02Å; L504-F562 HydrophobicContact CD1-CE1 4.47Å; L504-F562 HydrophobicContact CD2-CD1 4.25Å; L504-F562 HydrophobicContact CD2-CE1 3.86Å; P559-F562 PolarHBondContact O-N 3.02Å; F562-A565 WeakPolarHBondContact O-CB 3.4Å; F562-A565 PolarHBondContact O-N 3.37Å; F562-L566 HydrophobicContact CE1-CD1 4.33Å; F562-L566 PolarHBondContact O-N 3.29Å; F562-L957 HydrophobicContact CE1-CD2 4.39Å; F562-L957 HydrophobicContact CE2-CD1 4.33Å; F562-L957 HydrophobicContact CE2-CD2 3.79Å; F562-L957 HydrophobicContact CE2-CG 4.04Å; F562-L957 HydrophobicContact CZ-CD2 3.6Å; F562-L957 HydrophobicContact CZ-CG 4.35Å; F562-L985 HydrophobicContact CD2-CD2 3.99Å; F562-L985 HydrophobicContact CE2-CD2 3.95Å; F562-L986 HydrophobicContact CE1-CD2 4.08Å; F562-L986 HydrophobicContact CZ-CD2 3.77Å; F562-F989 HydrophobicContact CB-CZ 4.14Å; F562-F989 HydrophobicContact CD1-CD2 4.17Å; F562-F989 HydrophobicContact CD1-CE1 4.28Å; F562-F989 AromaticContact CD1-CE2 3.47Å; F562-F989 HydrophobicContact CD1-CE2 3.47Å; F562-F989 VanDerWaalsContact CD1-CE2 3.47Å; F562-F989 AromaticContact CD1-CZ 3.54Å; F562-F989 HydrophobicContact CD1-CZ 3.54Å; F562-F989 AromaticContact CE1-CD2 3.98Å; F562-F989 HydrophobicContact CE1-CD2 3.98Å; F562-F989 AromaticContact CE1-CE2 3.67Å; F562-F989 HydrophobicContact CE1-CE2 3.67Å; F562-F989 HydrophobicContact CE1-CZ 4.19Å; F562-F989 HydrophobicContact CG-CE2 4.04Å; F562-F989 HydrophobicContact CG-CZ 4.03Å; F562-F989 HydrophobicContact CZ-CE2 4.38Å
563	A	86.2	Confident	80.7	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.5	-40.8	174.9	0	0	0	0	0	112.2	L504 L507 M508 P559 A565 L566 V567	L504-A563 HydrophobicContact CD1-CB 3.87Å; L507-A563 HydrophobicContact CB-CB 3.55Å; L507-A563 HydrophobicContact CD1-CB 4.42Å; M508-A563 HydrophobicContact CG-CB 4.32Å; P559-A563 WeakPolarHBondContact O-CB 3.43Å; P559-A563 PolarHBondContact O-N 3.03Å; A563-A565 VanDerWaalsContact C-N 3.34Å; A563-A565 PolarHBondContact O-N 3.12Å; A563-L566 PolarHBondContact O-N 3.17Å; A563-V567 PolarHBondContact O-N 3.25Å; A563-V567 VanDerWaalsContact O-N 3.17Å
564	M	88.8	Confident	80.6	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.9	-37.1	174.3	-176.3	60.2	72.2	0	0	112.4	H511 E560 L566 V567 V568 C938 I941 C942 L950	H511-M564 HydrophobicContact CB-CE 3.99Å; E560-M564 WeakPolarHBondContact O-CB 3.25Å; E560-M564 PolarHBondContact O-N 3.34Å; E560-M564 VanDerWaalsContact O-N 3.1Å; M564-L566 VanDerWaalsContact C-N 3.34Å; M564-L566 PolarHBondContact O-N 3.48Å; M564-V567 PolarHBondContact O-N 3.36Å; M564-V567 VanDerWaalsContact O-N 3.13Å; M564-V568 HydrophobicContact CG-CG2 4.5Å; M564-V568 WeakPolarHBondContact O-CG2 3.36Å; M564-V568 PolarHBondContact O-N 3.29Å; M564-C938 HydrophobicContact CG-CB 3.78Å; M564-C938 HydrophobicContact SD-CB 3.65Å; M564-I941 HydrophobicContact CE-CB 3.9Å; M564-I941 HydrophobicContact CE-CG2 3.54Å; M564-C942 HydrophobicContact CB-CB 3.72Å; M564-C942 HydrophobicContact CE-CB 4.33Å; M564-C942 HydrophobicContact CG-CB 4Å; M564-L950 HydrophobicContact CB-CD1 4.25Å; M564-L950 HydrophobicContact CG-CD1 4.15Å; M564-L950 HydrophobicContact CG-CD2 4.33Å
565	A	86.5	Confident	80.2	Confident	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.1	0	0	0	0	0	112.1	V561 F562 A563 V567 V568 I569 L950 E953 I954 L957	V561-A565 PolarHBondContact O-N 3.25Å; F562-A565 WeakPolarHBondContact O-CB 3.4Å; F562-A565 PolarHBondContact O-N 3.37Å; A563-A565 VanDerWaalsContact C-N 3.34Å; A563-A565 PolarHBondContact O-N 3.12Å; A565-V567 VanDerWaalsContact C-N 3.34Å; A565-V567 PolarHBondContact O-N 3.2Å; A565-V568 PolarHBondContact O-N 3.33Å; A565-I569 WeakPolarHBondContact O-CB 3.15Å; A565-I569 WeakPolarHBondContact O-CG1 3.47Å; A565-I569 PolarHBondContact O-N 2.86Å; A565-L950 HydrophobicContact CB-CD1 3.94Å; A565-E953 HydrophobicContact CB-CB 3.77Å; A565-I954 HydrophobicContact CB-CG1 3.66Å; A565-L957 HydrophobicContact CB-CD1 3.57Å
566	L	87.1	Confident	79.8	Confident	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.9	-36.4	172.5	-75.1	170.4	0	0	0	112.8	L504 M508 L528 L529 L532 F562 A563 M564 I569 L570 L957	L504-L566 HydrophobicContact CD1-CD1 4.34Å; L504-L566 HydrophobicContact CD2-CD1 3.82Å; L504-L566 HydrophobicContact CG-CD1 4.24Å; M508-L566 HydrophobicContact CE-CB 3.68Å; M508-L566 HydrophobicContact CE-CD1 4.48Å; M508-L566 HydrophobicContact CG-CB 4.37Å; M508-L566 HydrophobicContact SD-CB 3.77Å; M508-L566 HydrophobicContact SD-CD1 3.62Å; M508-L566 HydrophobicContact SD-CG 4.31Å; L528-L566 HydrophobicContact CD2-CD2 4.45Å; L529-L566 HydrophobicContact CD2-CD1 4.17Å; L532-L566 HydrophobicContact CD2-CD1 4.18Å; L532-L566 HydrophobicContact CD2-CD2 4.46Å; F562-L566 HydrophobicContact CE1-CD1 4.33Å; F562-L566 PolarHBondContact O-N 3.29Å; A563-L566 PolarHBondContact O-N 3.17Å; M564-L566 VanDerWaalsContact C-N 3.34Å; M564-L566 PolarHBondContact O-N 3.48Å; L566-I569 PolarHBondContact O-N 2.9Å; L566-L570 WeakPolarHBondContact O-CB 3.41Å; L566-L570 PolarHBondContact O-N 3.08Å; L566-L957 HydrophobicContact CD2-CD1 3.9Å; L566-L957 HydrophobicContact CD2-CD2 3.77Å; L566-L957 HydrophobicContact CD2-CG 4.38Å; L566-L957 HydrophobicContact CG-CD1 3.75Å; L566-L957 HydrophobicContact CG-CD2 4.16Å
567	V	86.7	Confident	79.3	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-70.8	-38.7	176.4	174.3	0	0	0	0	112	M508 H511 I512 L515 A563 M564 A565 I569 L570 L571	M508-V567 HydrophobicContact CB-CG2 4.15Å; M508-V567 HydrophobicContact CE-CG2 4.47Å; M508-V567 HydrophobicContact CG-CG2 4.23Å; H511-V567 HydrophobicContact CB-CG2 4.12Å; I512-V567 HydrophobicContact CD1-CG2 4.45Å; I512-V567 HydrophobicContact CG1-CG1 4.15Å; I512-V567 HydrophobicContact CG1-CG2 4.06Å; L515-V567 HydrophobicContact CD1-CG1 3.78Å; A563-V567 PolarHBondContact O-N 3.25Å; A563-V567 VanDerWaalsContact O-N 3.17Å; M564-V567 PolarHBondContact O-N 3.36Å; M564-V567 VanDerWaalsContact O-N 3.13Å; A565-V567 VanDerWaalsContact C-N 3.34Å; A565-V567 PolarHBondContact O-N 3.2Å; V567-I569 VanDerWaalsContact C-N 3.33Å; V567-I569 PolarHBondContact O-N 3.21Å; V567-L570 PolarHBondContact O-N 3.06Å; V567-L571 HydrophobicContact CG1-CD1 4.1Å; V567-L571 WeakPolarHBondContact O-CB 3.34Å; V567-L571 VanDerWaalsContact O-CG 3.27Å; V567-L571 WeakPolarHBondContact O-CG 3.39Å; V567-L571 PolarHBondContact O-N 3.1Å
568	V	85.6	Confident	78.2	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.8	-40.5	172.1	172	0	0	0	0	111.2	M564 A565 L571 R572 I836 M931 V935 C938 I954	M564-V568 HydrophobicContact CG-CG2 4.5Å; M564-V568 WeakPolarHBondContact O-CG2 3.36Å; M564-V568 PolarHBondContact O-N 3.29Å; A565-V568 PolarHBondContact O-N 3.33Å; V568-L571 PolarHBondContact O-N 3.06Å; V568-R572 WeakPolarHBondContact O-CB 3.19Å; V568-R572 PolarHBondContact O-N 2.99Å; V568-I836 HydrophobicContact CG1-CD1 3.87Å; V568-M931 HydrophobicContact CG1-SD 4.49Å; V568-V935 HydrophobicContact CG1-CG2 4.12Å; V568-C938 HydrophobicContact CG2-CB 3.64Å; V568-C938 VanDerWaalsContact CG2-SG 3.6Å; V568-I954 HydrophobicContact CB-CD1 4.11Å; V568-I954 HydrophobicContact CG1-CD1 3.73Å
569	I	80.8	Confident	76.4	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-44.9	173.9	-75.4	168.8	0	0	0	111.3	A565 L566 V567 L571 R572 L573 I836 I954 L957 E958 W963	A565-I569 WeakPolarHBondContact O-CB 3.15Å; A565-I569 WeakPolarHBondContact O-CG1 3.47Å; A565-I569 PolarHBondContact O-N 2.86Å; L566-I569 PolarHBondContact O-N 2.9Å; V567-I569 VanDerWaalsContact C-N 3.33Å; V567-I569 PolarHBondContact O-N 3.21Å; I569-L571 PolarHBondContact O-N 2.75Å; I569-R572 PolarHBondContact O-N 2.99Å; I569-L573 HydrophobicContact CG2-CD1 4.04Å; I569-L573 VanDerWaalsContact O-CG 3.32Å; I569-L573 WeakPolarHBondContact O-CG 3.3Å; I569-L573 PolarHBondContact O-N 2.69Å; I569-I836 HydrophobicContact CG1-CD1 4.39Å; I569-I954 HydrophobicContact CD1-CG2 4.26Å; I569-I954 HydrophobicContact CG1-CG2 4.19Å; I569-L957 HydrophobicContact CD1-CB 3.58Å; I569-L957 HydrophobicContact CD1-CD1 4.06Å; I569-L957 HydrophobicContact CD1-CG 4.48Å; I569-E958 HydrophobicContact CD1-CG 4.22Å; I569-W963 HydrophobicContact CG2-CH2 4.44Å; I569-W963 HydrophobicContact CG2-CZ3 3.65Å
570	L	81	Confident	74.7	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-58.4	-46	174.2	172.9	59.2	0	0	0	111.5	I512 M521 F524 L528 L566 V567 R572 L573 V574 W823	I512-L570 HydrophobicContact CD1-CD2 4.06Å; M521-L570 HydrophobicContact SD-CD2 4.32Å; M521-L570 HydrophobicContact SD-CG 4.22Å; F524-L570 HydrophobicContact CB-CD1 3.55Å; F524-L570 HydrophobicContact CB-CD2 4.4Å; F524-L570 HydrophobicContact CD2-CD1 4.21Å; F524-L570 HydrophobicContact CG-CD1 4.23Å; L528-L570 HydrophobicContact CD2-CB 4.14Å; L566-L570 WeakPolarHBondContact O-CB 3.41Å; L566-L570 PolarHBondContact O-N 3.08Å; V567-L570 PolarHBondContact O-N 3.06Å; L570-R572 PolarHBondContact O-N 3.44Å; L570-L573 WeakPolarHBondContact O-CB 3.48Å; L570-L573 PolarHBondContact O-N 3.1Å; L570-V574 HydrophobicContact CD1-CG2 3.85Å; L570-V574 WeakPolarHBondContact O-CG2 3.35Å; L570-V574 PolarHBondContact O-N 3.08Å; L570-W823 HydrophobicContact CD1-CH2 3.49Å; L570-W823 VanDerWaalsContact CD1-CH2 3.49Å; L570-W823 HydrophobicContact CD1-CZ3 3.7Å
571	L	78.8	Confident	73.1	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-41.2	176.6	-73.7	167.9	0	0	0	112.4	L515 L517 M521 V567 V568 I569 L573 F575 F577 L934	L515-L571 HydrophobicContact CD1-CD1 4.14Å; L517-L571 HydrophobicContact CD1-CD1 4.46Å; L517-L571 HydrophobicContact CD1-CD2 3.86Å; L517-L571 HydrophobicContact CD1-CG 4.47Å; L517-L571 HydrophobicContact CD2-CD2 3.92Å; M521-L571 HydrophobicContact CE-CD2 3.88Å; V567-L571 HydrophobicContact CG1-CD1 4.1Å; V567-L571 WeakPolarHBondContact O-CB 3.34Å; V567-L571 VanDerWaalsContact O-CG 3.27Å; V567-L571 WeakPolarHBondContact O-CG 3.39Å; V567-L571 PolarHBondContact O-N 3.1Å; V568-L571 PolarHBondContact O-N 3.06Å; I569-L571 PolarHBondContact O-N 2.75Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L571-F575 HydrophobicContact CD2-CD2 3.65Å; L571-F575 HydrophobicContact CD2-CE2 3.51Å; L571-F575 WeakPolarHBondContact O-CB 3.49Å; L571-F575 PolarHBondContact O-N 3.23Å; L571-F577 HydrophobicContact CB-CE2 4.22Å; L571-L934 HydrophobicContact CB-CD2 4.18Å; L571-L934 HydrophobicContact CD1-CD1 4.13Å; L571-L934 HydrophobicContact CD1-CD2 4.2Å
572	R	75.6	Confident	71.4	Confident	23 Å²	23	21.9 Å²	21.9	9%	0.087	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-39.7	172.8	176.2	56.1	166.5	142.6	-0.5	112.2	V568 I569 L570 K576 F577 D578 Y833 F834 I836 M931	V568-R572 WeakPolarHBondContact O-CB 3.19Å; V568-R572 PolarHBondContact O-N 2.99Å; I569-R572 PolarHBondContact O-N 2.99Å; L570-R572 PolarHBondContact O-N 3.44Å; R572-K576 PolarHBondContact O-N 2.9Å; R572-F577 VanDerWaalsContact CZ-O 3.28Å; R572-F577 PolarHBondContact NH1-O 3.38Å; R572-D578 IonicContact NH1-OD2 2.8Å; R572-D578 PolarHBondContact NH1-OD2 3.42Å; R572-D578 VanDerWaalsContact NH1-OD2 3.12Å; R572-Y833 HydrophobicContact CG-CE2 4.14Å; R572-F834 PolarHBondContact NH2-O 3.27Å; R572-F834 VanDerWaalsContact NH2-O 3.08Å; R572-I836 HydrophobicContact CB-CD1 3.75Å; R572-I836 HydrophobicContact CB-CG1 4.29Å; R572-I836 HydrophobicContact CG-CD1 3.9Å; R572-I836 HydrophobicContact CG-CG1 3.87Å; R572-M931 HydrophobicContact CB-CE 4.13Å; R572-M931 HydrophobicContact CG-CE 4.3Å
573	L	70	Confident	69.4	Low	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-52.9	177	-72.1	165.3	0	0	0	111.3	I569 L570 L571 W823 L826 R830 Y833 W963	I569-L573 HydrophobicContact CG2-CD1 4.04Å; I569-L573 VanDerWaalsContact O-CG 3.32Å; I569-L573 WeakPolarHBondContact O-CG 3.3Å; I569-L573 PolarHBondContact O-N 2.69Å; L570-L573 WeakPolarHBondContact O-CB 3.48Å; L570-L573 PolarHBondContact O-N 3.1Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L573-W823 HydrophobicContact CB-CH2 4.23Å; L573-W823 HydrophobicContact CD1-CH2 3.69Å; L573-W823 HydrophobicContact CD1-CZ2 4.04Å; L573-L826 HydrophobicContact CB-CD2 4.36Å; L573-L826 HydrophobicContact CD2-CD2 4.26Å; L573-R830 PolarHBondContact O-NH1 2.91Å; L573-R830 PolarHBondContact O-NH2 3.24Å; L573-Y833 HydrophobicContact CD2-CD2 3.78Å; L573-Y833 HydrophobicContact CD2-CE2 3.65Å; L573-Y833 HydrophobicContact CG-CE2 4.15Å; L573-W963 HydrophobicContact CD1-CH2 3.67Å; L573-W963 HydrophobicContact CD1-CZ2 4.49Å; L573-W963 HydrophobicContact CD1-CZ3 4.05Å; L573-W963 HydrophobicContact CD2-CH2 4.47Å
574	V	67	Low	67.4	Low	7 Å²	7	28.6 Å²	28.6	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-50.2	-174.6	175.3	0	0	0	0	112.4	M521 F524 L570 W823	M521-V574 HydrophobicContact CE-CB 3.88Å; M521-V574 HydrophobicContact CE-CG1 3.65Å; M521-V574 HydrophobicContact CE-CG2 4.17Å; M521-V574 HydrophobicContact SD-CB 4.38Å; M521-V574 HydrophobicContact SD-CG1 4.33Å; M521-V574 HydrophobicContact SD-CG2 4Å; F524-V574 HydrophobicContact CD2-CG2 3.93Å; F524-V574 HydrophobicContact CE2-CG2 4.04Å; L570-V574 HydrophobicContact CD1-CG2 3.85Å; L570-V574 WeakPolarHBondContact O-CG2 3.35Å; L570-V574 PolarHBondContact O-N 3.08Å; V574-W823 HydrophobicContact CG2-CZ3 4.31Å
575	F	64.3	Low	65.4	Low	38 Å²	38	33.4 Å²	33.4	17%	0.167	16%	0.162	C	C	.	.	H	α-helix	trans	-95.1	-5.3	-168.9	-65.2	-54.2	0	0	0	115.8	L517 M521 L571 F577 F615 W617	L517-F575 HydrophobicContact CD2-CE2 4.23Å; M521-F575 HydrophobicContact CE-CD2 3.91Å; M521-F575 HydrophobicContact CE-CE1 4.26Å; M521-F575 HydrophobicContact CE-CE2 3.19Å; M521-F575 HydrophobicContact CE-CZ 3.4Å; L571-F575 HydrophobicContact CD2-CD2 3.65Å; L571-F575 HydrophobicContact CD2-CE2 3.51Å; L571-F575 WeakPolarHBondContact O-CB 3.49Å; L571-F575 PolarHBondContact O-N 3.23Å; F575-F577 HydrophobicContact CB-CD2 4.09Å; F575-F577 HydrophobicContact CB-CE2 3.88Å; F575-F577 HydrophobicContact CD2-CE2 4.2Å; F575-F577 PolarHBondContact O-N 3.2Å; F575-F615 HydrophobicContact CE1-CD1 4.12Å; F575-F615 AromaticContact CE1-CE1 3.94Å; F575-F615 HydrophobicContact CE1-CE1 3.94Å; F575-F615 HydrophobicContact CE2-CE1 4.32Å; F575-F615 HydrophobicContact CZ-CD1 4.02Å; F575-F615 AromaticContact CZ-CE1 3.51Å; F575-F615 HydrophobicContact CZ-CE1 3.51Å; F575-F615 HydrophobicContact CZ-CZ 4.19Å; F575-W617 HydrophobicContact CB-CH2 4.25Å; F575-W617 HydrophobicContact CB-CZ3 4.22Å; F575-W617 HydrophobicContact CD1-CE3 4.47Å; F575-W617 HydrophobicContact CD1-CH2 4.48Å; F575-W617 AromaticContact CD1-CZ3 3.67Å; F575-W617 HydrophobicContact CD1-CZ3 3.67Å; F575-W617 AromaticContact CD2-CH2 3.75Å; F575-W617 HydrophobicContact CD2-CH2 3.75Å; F575-W617 AromaticContact CD2-CZ3 3.59Å; F575-W617 HydrophobicContact CD2-CZ3 3.59Å; F575-W617 HydrophobicContact CE1-CE3 4.46Å; F575-W617 AromaticContact CE1-CZ3 3.8Å; F575-W617 HydrophobicContact CE1-CZ3 3.8Å; F575-W617 HydrophobicContact CE2-CH2 4.11Å; F575-W617 AromaticContact CE2-CZ3 3.68Å; F575-W617 HydrophobicContact CE2-CZ3 3.68Å; F575-W617 AromaticContact CG-CH2 3.94Å; F575-W617 HydrophobicContact CG-CH2 3.94Å; F575-W617 AromaticContact CG-CZ3 3.58Å; F575-W617 HydrophobicContact CG-CZ3 3.58Å; F575-W617 AromaticContact CZ-CZ3 3.8Å; F575-W617 HydrophobicContact CZ-CZ3 3.8Å
576	K	63.6	Low	63.2	Low	46 Å²	46	35.7 Å²	35.7	20%	0.2	18%	0.178	C	C	.	.			trans	47.8	59.8	-179.4	-72.5	-155.6	175.8	-159.5	0	113.9	R572 D578 F581 I689	R572-K576 PolarHBondContact O-N 2.9Å; K576-D578 VanDerWaalsContact C-N 3.29Å; K576-D578 PolarHBondContact O-N 3.15Å; K576-F581 HydrophobicContact CB-CD1 4.37Å; K576-F581 HydrophobicContact CB-CG 4.44Å; K576-F581 WeakPolarHBondContact O-CB 3.43Å; K576-I689 PolarHBondContact NZ-O 2.87Å
577	F	61.4	Low	61	Low	13 Å²	13	36.4 Å²	36.4	6%	0.057	18%	0.183	C	C	.	.			trans	-66.5	77.9	170	-72	-83.5	0	0	0	112.5	L571 R572 F575 W617 M931 L934	L571-F577 HydrophobicContact CB-CE2 4.22Å; R572-F577 VanDerWaalsContact CZ-O 3.28Å; R572-F577 PolarHBondContact NH1-O 3.38Å; F575-F577 HydrophobicContact CB-CD2 4.09Å; F575-F577 HydrophobicContact CB-CE2 3.88Å; F575-F577 HydrophobicContact CD2-CE2 4.2Å; F575-F577 PolarHBondContact O-N 3.2Å; F577-W617 AromaticContact CE1-CH2 3.94Å; F577-W617 HydrophobicContact CE1-CH2 3.94Å; F577-W617 AromaticContact CE1-CZ2 3.61Å; F577-W617 HydrophobicContact CE1-CZ2 3.61Å; F577-W617 HydrophobicContact CE2-CH2 4.08Å; F577-W617 AromaticContact CZ-CH2 3.36Å; F577-W617 HydrophobicContact CZ-CH2 3.36Å; F577-W617 AromaticContact CZ-CZ2 3.49Å; F577-W617 HydrophobicContact CZ-CZ2 3.49Å; F577-W617 VanDerWaalsContact CZ-CZ2 3.49Å; F577-M931 HydrophobicContact CB-CE 3.61Å; F577-M931 HydrophobicContact CD2-CE 4.3Å; F577-M931 HydrophobicContact CG-CE 4.15Å; F577-L934 HydrophobicContact CD2-CD2 4.21Å; F577-L934 HydrophobicContact CE1-CD2 4.48Å; F577-L934 HydrophobicContact CE2-CD2 3.67Å; F577-L934 HydrophobicContact CZ-CD2 3.78Å
578	D	56.8	Low	58.9	Low	35 Å²	35	38.3 Å²	38.3	19%	0.187	20%	0.195	C	C	.	.			trans	-131.1	151.8	169.4	50	77.7	0	0	0	111.7	R572 K576 T580 F581 E582	R572-D578 IonicContact NH1-OD2 2.8Å; R572-D578 PolarHBondContact NH1-OD2 3.42Å; R572-D578 VanDerWaalsContact NH1-OD2 3.12Å; K576-D578 VanDerWaalsContact C-N 3.29Å; K576-D578 PolarHBondContact O-N 3.15Å; D578-T580 PolarHBondContact O-N 2.92Å; D578-T580 VanDerWaalsContact O-N 3.07Å; D578-T580 PolarHBondContact OD1-OG1 3.34Å; D578-F581 PolarHBondContact O-N 2.85Å; D578-F581 WeakPolarHBondContact OD1-CB 3.44Å; D578-F581 PolarHBondContact OD1-N 3.3Å; D578-E582 WeakPolarHBondContact O-CG 3.23Å; D578-E582 PolarHBondContact O-N 3.18Å
579	D	45.7	Very low	56.8	Low	72 Å²	72	38.6 Å²	38.6	39%	0.385	20%	0.197	S	C	.	.	H	α-helix	trans	-53.4	-32.2	-179.5	-68.2	-36.1	0	0	0	112.5	H583 S928	D579-H583 WeakPolarHBondContact O-CB 3.44Å; D579-H583 PolarHBondContact O-N 3.14Å; D579-S928 VanDerWaalsContact OD1-CA 3.24Å; D579-S928 WeakPolarHBondContact OD1-CA 3.46Å; D579-S928 WeakPolarHBondContact OD1-CB 3.18Å
580	T	46.5	Very low	54.9	Low	85 Å²	85	44.3 Å²	44.3	52%	0.521	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-41.1	177.6	32.8	0	0	0	0	112.9	D578 R584	D578-T580 PolarHBondContact O-N 2.92Å; D578-T580 VanDerWaalsContact O-N 3.07Å; D578-T580 PolarHBondContact OD1-OG1 3.34Å; T580-R584 VanDerWaalsContact O-CB 3.29Å; T580-R584 WeakPolarHBondContact O-CB 3.36Å; T580-R584 WeakPolarHBondContact O-CD 3.44Å; T580-R584 WeakPolarHBondContact O-CG 3.48Å; T580-R584 PolarHBondContact O-N 2.77Å
581	F	51.7	Low	53	Low	92 Å²	92	44.4 Å²	44.4	40%	0.404	22%	0.223	S	C	.	.	H	α-helix	trans	-74	-41.3	175.7	-162.7	-112.9	0	0	0	111.4	K576 D578 R584 L585	K576-F581 HydrophobicContact CB-CD1 4.37Å; K576-F581 HydrophobicContact CB-CG 4.44Å; K576-F581 WeakPolarHBondContact O-CB 3.43Å; D578-F581 PolarHBondContact O-N 2.85Å; D578-F581 WeakPolarHBondContact OD1-CB 3.44Å; D578-F581 PolarHBondContact OD1-N 3.3Å; F581-R584 PolarHBondContact O-N 3.09Å; F581-L585 HydrophobicContact CD1-CD1 3.92Å; F581-L585 HydrophobicContact CE1-CD1 3.81Å; F581-L585 HydrophobicContact CE1-CG 4.45Å; F581-L585 WeakPolarHBondContact O-CG 3.14Å; F581-L585 PolarHBondContact O-N 2.92Å
582	E	49.4	Very low	51	Low	41 Å²	41	49 Å²	49	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-43.3	175.6	-69.1	174.3	-136.5	0	0	111.8	D578 S586 S928 S930	D578-E582 WeakPolarHBondContact O-CG 3.23Å; D578-E582 PolarHBondContact O-N 3.18Å; E582-S586 WeakPolarHBondContact O-CB 3.31Å; E582-S586 PolarHBondContact O-N 3.15Å; E582-S928 WeakPolarHBondContact OE1-CB 3.06Å; E582-S928 PolarHBondContact OE1-OG 2.89Å; E582-S930 VanDerWaalsContact CD-OG 3.22Å; E582-S930 WeakPolarHBondContact OE1-CB 3.42Å; E582-S930 WeakPolarHBondContact OE2-CB 3.44Å; E582-S930 PolarHBondContact OE2-OG 3.25Å
583	H	43.8	Very low	49.3	Very low	82 Å²	82	51.5 Å²	51.5	38%	0.38	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-39.1	173.1	-177.4	-76.9	0	0	0	112.2	D579 S586 S587	D579-H583 WeakPolarHBondContact O-CB 3.44Å; D579-H583 PolarHBondContact O-N 3.14Å; H583-S586 PolarHBondContact O-N 3.45Å; H583-S587 PolarHBondContact CE1-OG 2.83Å; H583-S587 PolarHBondContact ND1-OG 2.67Å; H583-S587 WeakPolarHBondContact O-CB 3.24Å; H583-S587 PolarHBondContact O-N 3.03Å; H583-S587 PolarHBondContact O-OG 2.67Å
584	R	44.8	Very low	48	Very low	62 Å²	62	56.1 Å²	56.1	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-46.6	176.3	-82.6	169	164.7	164.3	-6.6	111.3	T580 F581 S587 V588 T681 D688	T580-R584 VanDerWaalsContact O-CB 3.29Å; T580-R584 WeakPolarHBondContact O-CB 3.36Å; T580-R584 WeakPolarHBondContact O-CD 3.44Å; T580-R584 WeakPolarHBondContact O-CG 3.48Å; T580-R584 PolarHBondContact O-N 2.77Å; F581-R584 PolarHBondContact O-N 3.09Å; R584-S587 PolarHBondContact O-N 3.41Å; R584-V588 WeakPolarHBondContact O-CG2 3.31Å; R584-V588 PolarHBondContact O-N 3.49Å; R584-T681 PolarHBondContact NE-O 2.88Å; R584-T681 PolarHBondContact NH2-O 2.97Å; R584-D688 IonicContact CZ-OD1 3.92Å; R584-D688 IonicContact CZ-OD2 2.77Å; R584-D688 IonicContact NH1-OD1 3.21Å; R584-D688 PolarHBondContact NH1-OD1 3.43Å; R584-D688 IonicContact NH2-OD1 2.75Å; R584-D688 PolarHBondContact NH2-OD1 2.78Å; R584-D688 IonicContact NH2-OD2 2.63Å; R584-D688 PolarHBondContact NH2-OD2 2.87Å
585	L	46.7	Very low	46.6	Very low	101 Å²	101	60.4 Å²	60.4	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-47.9	172.7	-74.1	169.3	0	0	0	111.4	F581 S587 V588 A589	F581-L585 HydrophobicContact CD1-CD1 3.92Å; F581-L585 HydrophobicContact CE1-CD1 3.81Å; F581-L585 HydrophobicContact CE1-CG 4.45Å; F581-L585 WeakPolarHBondContact O-CG 3.14Å; F581-L585 PolarHBondContact O-N 2.92Å; L585-S587 VanDerWaalsContact C-N 3.27Å; L585-S587 PolarHBondContact O-N 3.36Å; L585-V588 PolarHBondContact O-N 3.24Å; L585-A589 VanDerWaalsContact O-CB 3.26Å; L585-A589 WeakPolarHBondContact O-CB 3.03Å; L585-A589 PolarHBondContact O-N 2.86Å
586	S	40.8	Very low	45.4	Very low	49 Å²	49	63.5 Å²	63.5	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-30	177.3	-169.3	0	0	0	0	113.5	E582 H583 K590	E582-S586 WeakPolarHBondContact O-CB 3.31Å; E582-S586 PolarHBondContact O-N 3.15Å; H583-S586 PolarHBondContact O-N 3.45Å; S586-K590 WeakPolarHBondContact O-CB 3.46Å; S586-K590 WeakPolarHBondContact O-CG 3.46Å; S586-K590 PolarHBondContact O-N 3.06Å; S586-K590 VanDerWaalsContact O-N 3.08Å
587	S	40.9	Very low	44	Very low	14 Å²	14	68.3 Å²	68.3	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-76.1	-41.8	177.1	-58.4	0	0	0	0	112.2	H583 R584 L585 A591	H583-S587 PolarHBondContact CE1-OG 2.83Å; H583-S587 PolarHBondContact ND1-OG 2.67Å; H583-S587 WeakPolarHBondContact O-CB 3.24Å; H583-S587 PolarHBondContact O-N 3.03Å; H583-S587 PolarHBondContact O-OG 2.67Å; R584-S587 PolarHBondContact O-N 3.41Å; L585-S587 VanDerWaalsContact C-N 3.27Å; L585-S587 PolarHBondContact O-N 3.36Å; S587-A591 PolarHBondContact O-N 2.59Å
588	V	40.9	Very low	42.6	Very low	40 Å²	40	74.1 Å²	74.1	24%	0.242	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-43.2	173.3	172.8	0	0	0	0	110.3	R584 L585 A591 L592 L710	R584-V588 WeakPolarHBondContact O-CG2 3.31Å; R584-V588 PolarHBondContact O-N 3.49Å; L585-V588 PolarHBondContact O-N 3.24Å; V588-A591 WeakPolarHBondContact O-CB 3.47Å; V588-A591 PolarHBondContact O-N 2.92Å; V588-L592 HydrophobicContact CG1-CD1 4.08Å; V588-L592 WeakPolarHBondContact O-CG 3.25Å; V588-L592 PolarHBondContact O-N 3.26Å; V588-L710 WeakPolarHBondContact CG1-O 3.41Å; V588-L710 WeakPolarHBondContact CG2-O 3.48Å
589	A	41.9	Very low	41.4	Very low	7 Å²	7	78.3 Å²	78.3	6%	0.058	41%	0.405	C	S	.	.	H	α-helix	trans	-53.7	-54.2	173.1	0	0	0	0	0	112.9	L585 A591 L592 E593 F870	L585-A589 VanDerWaalsContact O-CB 3.26Å; L585-A589 WeakPolarHBondContact O-CB 3.03Å; L585-A589 PolarHBondContact O-N 2.86Å; A589-A591 VanDerWaalsContact C-N 3.27Å; A589-A591 PolarHBondContact O-N 3.17Å; A589-L592 PolarHBondContact O-N 3Å; A589-L592 VanDerWaalsContact O-N 3.1Å; A589-E593 PolarHBondContact O-N 3.45Å; A589-F870 HydrophobicContact CB-CD2 3.69Å; A589-F870 HydrophobicContact CB-CE1 4.25Å; A589-F870 HydrophobicContact CB-CE2 3.24Å; A589-F870 HydrophobicContact CB-CG 4.39Å; A589-F870 HydrophobicContact CB-CZ 3.56Å
590	K	41.4	Very low	40.8	Very low	119 Å²	119	81.5 Å²	81.5	52%	0.517	43%	0.427	S	S	.	.	H	α-helix	trans	-64.2	-30.2	178.4	-75	175.4	179.8	176.7	0	113.3	S586 L594	S586-K590 WeakPolarHBondContact O-CB 3.46Å; S586-K590 WeakPolarHBondContact O-CG 3.46Å; S586-K590 PolarHBondContact O-N 3.06Å; S586-K590 VanDerWaalsContact O-N 3.08Å; K590-L594 WeakPolarHBondContact O-CG 3.3Å; K590-L594 PolarHBondContact O-N 3.07Å
591	A	40.5	Very low	40	Very low	4 Å²	4	87 Å²	87	3%	0.033	44%	0.443	C	S	.	.	H	α-helix	trans	-66.6	-46.3	170.8	0	0	0	0	0	111	S587 V588 A589 E593 L594 F595 L714	S587-A591 PolarHBondContact O-N 2.59Å; V588-A591 WeakPolarHBondContact O-CB 3.47Å; V588-A591 PolarHBondContact O-N 2.92Å; A589-A591 VanDerWaalsContact C-N 3.27Å; A589-A591 PolarHBondContact O-N 3.17Å; A591-E593 VanDerWaalsContact C-N 3.32Å; A591-E593 PolarHBondContact O-N 3.38Å; A591-L594 PolarHBondContact O-N 2.73Å; A591-F595 WeakPolarHBondContact O-CD2 3.47Å; A591-L714 HydrophobicContact CB-CD1 3.96Å; A591-L714 HydrophobicContact CB-CD2 3.83Å; A591-L714 HydrophobicContact CB-CG 3.9Å
592	L	38.4	Very low	38.9	Very low	97 Å²	97	88.2 Å²	88.2	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-60.9	-38	178	-68.7	168.8	0	0	0	112.5	V588 A589 L594 F595 P713	V588-L592 HydrophobicContact CG1-CD1 4.08Å; V588-L592 WeakPolarHBondContact O-CG 3.25Å; V588-L592 PolarHBondContact O-N 3.26Å; A589-L592 PolarHBondContact O-N 3Å; A589-L592 VanDerWaalsContact O-N 3.1Å; L592-L594 PolarHBondContact O-N 3.02Å; L592-F595 PolarHBondContact O-N 2.77Å; L592-P713 HydrophobicContact CD2-CB 4.2Å; L592-P713 HydrophobicContact CD2-CG 4Å
593	E	40	Very low	37.9	Very low	75 Å²	75	89.3 Å²	89.3	35%	0.35	49%	0.486	S	S	.	.	H	α-helix	trans	-59.6	-30.6	172.8	-73.5	-170.9	-157.6	0	0	114	A589 A591 K873	A589-E593 PolarHBondContact O-N 3.45Å; A591-E593 VanDerWaalsContact C-N 3.32Å; A591-E593 PolarHBondContact O-N 3.38Å; E593-K873 HydrophobicContact CG-CD 4.14Å; E593-K873 WeakPolarHBondContact OE1-CD 3.28Å; E593-K873 IonicContact OE1-NZ 2.78Å; E593-K873 WeakPolarHBondContact OE2-CD 3.47Å; E593-K873 IonicContact OE2-NZ 3.49Å; E593-K873 PolarHBondContact OE2-NZ 3.46Å
594	L	41.2	Very low	37.3	Very low	99 Å²	99	94.7 Å²	94.7	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-82.2	-12.4	-178	-71.7	167.9	0	0	0	113.4	K590 A591 L592 P596	K590-L594 WeakPolarHBondContact O-CG 3.3Å; K590-L594 PolarHBondContact O-N 3.07Å; A591-L594 PolarHBondContact O-N 2.73Å; L592-L594 PolarHBondContact O-N 3.02Å; L594-P596 VanDerWaalsContact C-CD 3.45Å; L594-P596 WeakPolarHBondContact O-CD 3.42Å
595	F	38.9	Very low	36.4	Very low	97 Å²	97	98.5 Å²	98.5	43%	0.425	54%	0.541	S	S	.	.			trans	-129.4	62.4	-174.6	-58.7	-69.2	0	0	0	113.3	A591 L592 N597 L717	A591-F595 WeakPolarHBondContact O-CD2 3.47Å; L592-F595 PolarHBondContact O-N 2.77Å; F595-N597 PolarHBondContact O-N 2.6Å; F595-L717 HydrophobicContact CD1-CD1 3.74Å; F595-L717 HydrophobicContact CD1-CD2 3.69Å; F595-L717 HydrophobicContact CD1-CG 4.39Å; F595-L717 HydrophobicContact CD2-CD1 3.3Å; F595-L717 HydrophobicContact CE1-CD1 3.72Å; F595-L717 HydrophobicContact CE1-CD2 3.74Å; F595-L717 HydrophobicContact CE1-CG 4.37Å; F595-L717 HydrophobicContact CE2-CD1 3.31Å; F595-L717 HydrophobicContact CG-CD1 3.55Å; F595-L717 HydrophobicContact CG-CD2 4.24Å; F595-L717 HydrophobicContact CZ-CD1 3.54Å; F595-L717 HydrophobicContact CZ-CD2 4.33Å
596	P	38.8	Very low	35.6	Very low	103 Å²	103	98 Å²	98	67%	0.669	55%	0.546	S	S	*	.			trans	-67.8	-7.2	-174.9	28.3	-37	0	0	0	115.5	L594	L594-P596 VanDerWaalsContact C-CD 3.45Å; L594-P596 WeakPolarHBondContact O-CD 3.42Å
597	N	33.7	Very low	35.1	Very low	147 Å²	147	104 Å²	104	79%	0.786	57%	0.574	S	S	*	*			trans	-117.4	43.1	-160.6	-67.8	-17.4	0	0	0	114.8	F595	F595-N597 PolarHBondContact O-N 2.6Å
598	R	32.7	Very low	34.5	Very low	135 Å²	135	107.7 Å²	107.7	51%	0.509	60%	0.597	S	S	.	*			trans	-131.4	108.4	165.7	-89.8	-175.4	170.2	160.2	-6	111.4	V600 N716	R598-V600 PolarHBondContact O-N 2.71Å; R598-N716 PolarHBondContact NH1-O 3.47Å
599	P	31.4	Very low	34.1	Very low	124 Å²	124	108 Å²	108	81%	0.805	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-68	120.2	174	27.8	-32.8	0	0	0	109.8	K601	P599-K601 PolarHBondContact O-N 2.69Å
600	V	32.5	Very low	33.5	Very low	138 Å²	138	113.3 Å²	113.3	84%	0.836	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-65.1	121.5	164.4	179.8	0	0	0	0	106.7	R598 S602	R598-V600 PolarHBondContact O-N 2.71Å; V600-S602 PolarHBondContact O-N 3.07Å; V600-S602 VanDerWaalsContact O-N 3.11Å
601	K	30.6	Very low	33.2	Very low	201 Å²	201	114.1 Å²	114.1	87%	0.874	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-61.8	117	-179.2	-71.8	-174	176.5	-177.2	0	109.4	P599 G603	P599-K601 PolarHBondContact O-N 2.69Å; K601-G603 PolarHBondContact O-N 3.35Å; K601-G603 VanDerWaalsContact O-N 3.13Å
602	S	28.6	Very low	33.1	Very low	117 Å²	117	118.4 Å²	118.4	82%	0.818	65%	0.65	S	S	*	*			trans	-64.1	108.3	-179.8	41.9	0	0	0	0	111	V600	V600-S602 PolarHBondContact O-N 3.07Å; V600-S602 VanDerWaalsContact O-N 3.11Å
603	G	28.5	Very low	33.2	Very low	65 Å²	65	120.8 Å²	120.8	67%	0.67	65%	0.652	S	S	*	*			trans	-112.7	123.2	168.5	0	0	0	0	0	109.6	K601	K601-G603 PolarHBondContact O-N 3.35Å; K601-G603 VanDerWaalsContact O-N 3.13Å
604	Q	29.4	Very low	33.3	Very low	194 Å²	194	121 Å²	121	91%	0.907	66%	0.66	S	S	*	*			trans	60.7	73.2	170.5	-63.5	175.7	-35.5	0	0	115.8	S606	Q604-S606 PolarHBondContact O-N 3.38Å
605	T	27	Very low	33.6	Very low	142 Å²	142	117.5 Å²	117.5	87%	0.871	64%	0.641	S	S	*	*			trans	-82.7	98.1	151.9	49.5	0	0	0	0	109.3
606	S	29	Very low	34.1	Very low	91 Å²	91	116.2 Å²	116.2	64%	0.636	64%	0.638	S	S	*	*			trans	-103.9	152.3	163	52.1	0	0	0	0	109.3	Q604 V608	Q604-S606 PolarHBondContact O-N 3.38Å; S606-V608 WeakPolarHBondContact O-CG2 3.47Å; S606-V608 PolarHBondContact O-N 2.94Å
607	D	30	Very low	34.9	Very low	174 Å²	174	115.6 Å²	115.6	93%	0.93	62%	0.622	S	S	*	*			trans	-55.6	105	-179.9	-72.4	-63.5	0	0	0	112	S609	D607-S609 PolarHBondContact O-N 3.27Å
608	V	28.6	Very low	35.5	Very low	93 Å²	93	109.3 Å²	109.3	56%	0.564	59%	0.588	S	S	*	*			trans	-80.1	115.4	-177.4	-175.4	0	0	0	0	108.7	S606 D612	S606-V608 WeakPolarHBondContact O-CG2 3.47Å; S606-V608 PolarHBondContact O-N 2.94Å; V608-D612 HydrophobicContact CG1-CB 3.62Å
609	S	32.4	Very low	36.4	Very low	45 Å²	45	104.4 Å²	104.4	32%	0.315	58%	0.575	S	S	.	*			trans	-60.3	160	177.1	91.1	0	0	0	0	111.3	D607 Y611 D612	D607-S609 PolarHBondContact O-N 3.27Å; S609-Y611 PolarHBondContact O-N 2.98Å; S609-Y611 PolarHBondContact OG-N 3.26Å; S609-Y611 VanDerWaalsContact OG-N 3.15Å; S609-D612 WeakPolarHBondContact CB-OD2 3.33Å; S609-D612 PolarHBondContact O-N 3.09Å; S609-D612 VanDerWaalsContact O-N 3.13Å; S609-D612 PolarHBondContact OG-N 3.05Å; S609-D612 PolarHBondContact OG-OD2 3.25Å
610	L	30.8	Very low	37.8	Very low	120 Å²	120	98.5 Å²	98.5	63%	0.628	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.8	174.9	-80.7	168.1	0	0	0	113.6
611	Y	33.8	Very low	39.2	Very low	136 Å²	136	92.5 Å²	92.5	53%	0.533	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-20	178.8	-53.4	-79.6	0	0	0	113.4	S609 N781	S609-Y611 PolarHBondContact O-N 2.98Å; S609-Y611 PolarHBondContact OG-N 3.26Å; S609-Y611 VanDerWaalsContact OG-N 3.15Å; Y611-N781 CarbonylContact C-O 3.43Å; Y611-N781 WeakPolarHBondContact CA-O 3.33Å; Y611-N781 HydrophobicContact CD1-CB 4.01Å; Y611-N781 HydrophobicContact CE1-CB 4.41Å; Y611-N781 VanDerWaalsContact O-O 3.08Å
612	D	37.8	Very low	40.4	Very low	94 Å²	94	87 Å²	87	50%	0.503	48%	0.478	S	S	.	.	S	Bend	trans	-96.4	3.5	-175.1	-66.9	-68.1	0	0	0	113.7	V608 S609	V608-D612 HydrophobicContact CG1-CB 3.62Å; S609-D612 WeakPolarHBondContact CB-OD2 3.33Å; S609-D612 PolarHBondContact O-N 3.09Å; S609-D612 VanDerWaalsContact O-N 3.13Å; S609-D612 PolarHBondContact OG-N 3.05Å; S609-D612 PolarHBondContact OG-OD2 3.25Å
613	R	40.8	Very low	41.9	Very low	146 Å²	146	82.4 Å²	82.4	55%	0.551	44%	0.443	S	S	*	.			trans	-69.7	132.3	178.4	-74.1	-174.6	173.8	-161.6	-2.9	111.1	T782	R613-T782 HydrophobicContact CB-CG2 3.98Å; R613-T782 WeakPolarHBondContact O-CA 3.29Å; R613-T782 WeakPolarHBondContact O-CB 3.29Å; R613-T782 VanDerWaalsContact O-CG2 3.31Å; R613-T782 WeakPolarHBondContact O-CG2 3.41Å
614	P	43.6	Very low	43.6	Very low	80 Å²	80	79.4 Å²	79.4	52%	0.519	41%	0.411	S	S	.	.			trans	-68.6	150.8	174.2	29.9	-35.2	0	0	0	111.1	I616	P614-I616 PolarHBondContact O-N 2.89Å; P614-I616 VanDerWaalsContact O-N 3.16Å
615	F	46	Very low	45.1	Very low	26 Å²	26	71.8 Å²	71.8	11%	0.114	38%	0.377	C	S	.	.			trans	-67	109.8	177.3	178.4	-110.2	0	0	0	111.7	L517 P518 F575 W617 W620 F779 L784	L517-F615 HydrophobicContact CD2-CZ 4.34Å; P518-F615 HydrophobicContact CG-CB 4.19Å; P518-F615 HydrophobicContact CG-CD2 3.48Å; P518-F615 VanDerWaalsContact CG-CD2 3.48Å; P518-F615 HydrophobicContact CG-CE2 3.94Å; P518-F615 HydrophobicContact CG-CG 3.86Å; F575-F615 HydrophobicContact CE1-CD1 4.12Å; F575-F615 AromaticContact CE1-CE1 3.94Å; F575-F615 HydrophobicContact CE1-CE1 3.94Å; F575-F615 HydrophobicContact CE2-CE1 4.32Å; F575-F615 HydrophobicContact CZ-CD1 4.02Å; F575-F615 AromaticContact CZ-CE1 3.51Å; F575-F615 HydrophobicContact CZ-CE1 3.51Å; F575-F615 HydrophobicContact CZ-CZ 4.19Å; F615-W617 HydrophobicContact CD1-CE3 4.43Å; F615-W617 AromaticContact CE1-CE3 3.68Å; F615-W617 HydrophobicContact CE1-CE3 3.68Å; F615-W617 AromaticContact CE1-CZ3 3.84Å; F615-W617 HydrophobicContact CE1-CZ3 3.84Å; F615-W620 HydrophobicContact CE2-CB 3.8Å; F615-W620 AromaticContact CE2-CD1 3.73Å; F615-W620 HydrophobicContact CE2-CD2 4.41Å; F615-W620 AromaticContact CE2-CG 3.71Å; F615-W620 HydrophobicContact CE2-CG 3.71Å; F615-W620 HydrophobicContact CZ-CB 3.68Å; F615-W620 AromaticContact CZ-CD1 3.78Å; F615-W620 AromaticContact CZ-CD2 3.7Å; F615-W620 HydrophobicContact CZ-CD2 3.7Å; F615-W620 HydrophobicContact CZ-CE3 4.25Å; F615-W620 AromaticContact CZ-CG 3.43Å; F615-W620 HydrophobicContact CZ-CG 3.43Å; F615-W620 VanDerWaalsContact CZ-CG 3.43Å; F615-F779 HydrophobicContact CD2-CB 3.94Å; F615-F779 HydrophobicContact CD2-CD1 4.08Å; F615-F779 HydrophobicContact CD2-CG 4.18Å; F615-F779 HydrophobicContact CE2-CB 3.9Å; F615-F779 HydrophobicContact CE2-CD1 4.24Å; F615-F779 HydrophobicContact CE2-CG 4.01Å; F615-L784 HydrophobicContact CB-CD2 3.66Å; F615-L784 HydrophobicContact CG-CD2 4.37Å
616	I	49.9	Very low	46.5	Very low	69 Å²	69	69.2 Å²	69.2	35%	0.354	36%	0.364	S	S	.	.			trans	-89.9	108.6	-178.3	-54.1	179	0	0	0	110.3	P614 I618 S619 W620	P614-I616 PolarHBondContact O-N 2.89Å; P614-I616 VanDerWaalsContact O-N 3.16Å; I616-I618 VanDerWaalsContact C-N 3.35Å; I616-I618 PolarHBondContact O-N 3.33Å; I616-S619 WeakPolarHBondContact CG2-OG 3.5Å; I616-S619 PolarHBondContact O-N 2.72Å; I616-W620 PolarHBondContact O-N 3.12Å; I616-W620 VanDerWaalsContact O-N 3.08Å
617	W	55.1	Low	48.1	Very low	91 Å²	91	67.2 Å²	67.2	35%	0.345	34%	0.343	S	S	.	.	H	α-helix	trans	-53.2	-47.2	-176.9	-167.3	-93.9	0	0	0	114	F575 F577 F615 W620 V621	F575-W617 HydrophobicContact CB-CH2 4.25Å; F575-W617 HydrophobicContact CB-CZ3 4.22Å; F575-W617 HydrophobicContact CD1-CE3 4.47Å; F575-W617 HydrophobicContact CD1-CH2 4.48Å; F575-W617 AromaticContact CD1-CZ3 3.67Å; F575-W617 HydrophobicContact CD1-CZ3 3.67Å; F575-W617 AromaticContact CD2-CH2 3.75Å; F575-W617 HydrophobicContact CD2-CH2 3.75Å; F575-W617 AromaticContact CD2-CZ3 3.59Å; F575-W617 HydrophobicContact CD2-CZ3 3.59Å; F575-W617 HydrophobicContact CE1-CE3 4.46Å; F575-W617 AromaticContact CE1-CZ3 3.8Å; F575-W617 HydrophobicContact CE1-CZ3 3.8Å; F575-W617 HydrophobicContact CE2-CH2 4.11Å; F575-W617 AromaticContact CE2-CZ3 3.68Å; F575-W617 HydrophobicContact CE2-CZ3 3.68Å; F575-W617 AromaticContact CG-CH2 3.94Å; F575-W617 HydrophobicContact CG-CH2 3.94Å; F575-W617 AromaticContact CG-CZ3 3.58Å; F575-W617 HydrophobicContact CG-CZ3 3.58Å; F575-W617 AromaticContact CZ-CZ3 3.8Å; F575-W617 HydrophobicContact CZ-CZ3 3.8Å; F577-W617 AromaticContact CE1-CH2 3.94Å; F577-W617 HydrophobicContact CE1-CH2 3.94Å; F577-W617 AromaticContact CE1-CZ2 3.61Å; F577-W617 HydrophobicContact CE1-CZ2 3.61Å; F577-W617 HydrophobicContact CE2-CH2 4.08Å; F577-W617 AromaticContact CZ-CH2 3.36Å; F577-W617 HydrophobicContact CZ-CH2 3.36Å; F577-W617 AromaticContact CZ-CZ2 3.49Å; F577-W617 HydrophobicContact CZ-CZ2 3.49Å; F577-W617 VanDerWaalsContact CZ-CZ2 3.49Å; F615-W617 HydrophobicContact CD1-CE3 4.43Å; F615-W617 AromaticContact CE1-CE3 3.68Å; F615-W617 HydrophobicContact CE1-CE3 3.68Å; F615-W617 AromaticContact CE1-CZ3 3.84Å; F615-W617 HydrophobicContact CE1-CZ3 3.84Å; W617-W620 HydrophobicContact CH2-CE3 4.14Å; W617-W620 HydrophobicContact CH2-CH2 4.4Å; W617-W620 AromaticContact CH2-CZ3 3.64Å; W617-W620 HydrophobicContact CH2-CZ3 3.64Å; W617-W620 HydrophobicContact CZ2-CE3 4.09Å; W617-W620 AromaticContact CZ2-CZ3 3.62Å; W617-W620 HydrophobicContact CZ2-CZ3 3.62Å; W617-W620 HydrophobicContact CZ3-CE3 4.4Å; W617-W620 HydrophobicContact CZ3-CZ3 4.3Å; W617-W620 PolarHBondContact O-N 3.22Å; W617-V621 WeakPolarHBondContact O-CG2 3.47Å; W617-V621 PolarHBondContact O-N 3.41Å
618	I	47.8	Very low	49.7	Very low	14 Å²	14	60 Å²	60	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-46.8	-176	-65.8	176.7	0	0	0	110.6	I616 W620 V621 Q622 I871 H874	I616-I618 VanDerWaalsContact C-N 3.35Å; I616-I618 PolarHBondContact O-N 3.33Å; I618-W620 VanDerWaalsContact C-N 3.28Å; I618-W620 PolarHBondContact O-N 3.28Å; I618-V621 WeakPolarHBondContact O-CB 3.41Å; I618-V621 PolarHBondContact O-N 3.47Å; I618-Q622 HydrophobicContact CG2-CG 4.37Å; I618-Q622 WeakPolarHBondContact O-CB 3.34Å; I618-Q622 VanDerWaalsContact O-CG 3.31Å; I618-Q622 WeakPolarHBondContact O-CG 3.37Å; I618-Q622 PolarHBondContact O-N 3.47Å; I618-I871 HydrophobicContact CD1-CB 4.46Å; I618-I871 HydrophobicContact CD1-CG1 3.96Å; I618-I871 HydrophobicContact CD1-CG2 4.47Å; I618-I871 HydrophobicContact CG1-CG1 4.08Å; I618-I871 HydrophobicContact CG2-CG1 4.34Å; I618-I871 HydrophobicContact CG2-CG2 3.62Å; I618-H874 HydrophobicContact CD1-CB 4.06Å; I618-H874 VanDerWaalsContact CD1-ND1 3.28Å; I618-H874 WeakPolarHBondContact CD1-ND1 3.44Å
619	S	50.2	Low	51	Low	33 Å²	33	57.3 Å²	57.3	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-32.6	179.3	-47.6	0	0	0	0	111.7	I616 Q622 Y623 F779	I616-S619 WeakPolarHBondContact CG2-OG 3.5Å; I616-S619 PolarHBondContact O-N 2.72Å; S619-Q622 PolarHBondContact O-N 2.9Å; S619-Y623 VanDerWaalsContact O-CB 3.3Å; S619-Y623 WeakPolarHBondContact O-CB 3.47Å; S619-Y623 PolarHBondContact O-N 3.37Å; S619-F779 VanDerWaalsContact CB-CZ 3.44Å; S619-F779 WeakPolarHBondContact O-CZ 3.38Å
620	W	61	Low	51.3	Low	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-41.7	171.5	178.8	76	0	0	0	112.7	L515 G516 L517 F615 I616 W617 I618 Y623 I624 F779 W933 L934	L515-W620 PolarHBondContact O-NE1 2.95Å; G516-W620 VanDerWaalsContact O-CD1 3.3Å; G516-W620 PolarHBondContact O-NE1 3.2Å; L517-W620 HydrophobicContact CD2-CH2 4.49Å; L517-W620 HydrophobicContact CD2-CZ2 3.57Å; L517-W620 HydrophobicContact CG-CZ2 4.2Å; F615-W620 HydrophobicContact CE2-CB 3.8Å; F615-W620 AromaticContact CE2-CD1 3.73Å; F615-W620 HydrophobicContact CE2-CD2 4.41Å; F615-W620 AromaticContact CE2-CG 3.71Å; F615-W620 HydrophobicContact CE2-CG 3.71Å; F615-W620 HydrophobicContact CZ-CB 3.68Å; F615-W620 AromaticContact CZ-CD1 3.78Å; F615-W620 AromaticContact CZ-CD2 3.7Å; F615-W620 HydrophobicContact CZ-CD2 3.7Å; F615-W620 HydrophobicContact CZ-CE3 4.25Å; F615-W620 AromaticContact CZ-CG 3.43Å; F615-W620 HydrophobicContact CZ-CG 3.43Å; F615-W620 VanDerWaalsContact CZ-CG 3.43Å; I616-W620 PolarHBondContact O-N 3.12Å; I616-W620 VanDerWaalsContact O-N 3.08Å; W617-W620 HydrophobicContact CH2-CE3 4.14Å; W617-W620 HydrophobicContact CH2-CH2 4.4Å; W617-W620 AromaticContact CH2-CZ3 3.64Å; W617-W620 HydrophobicContact CH2-CZ3 3.64Å; W617-W620 HydrophobicContact CZ2-CE3 4.09Å; W617-W620 AromaticContact CZ2-CZ3 3.62Å; W617-W620 HydrophobicContact CZ2-CZ3 3.62Å; W617-W620 HydrophobicContact CZ3-CE3 4.4Å; W617-W620 HydrophobicContact CZ3-CZ3 4.3Å; W617-W620 PolarHBondContact O-N 3.22Å; I618-W620 VanDerWaalsContact C-N 3.28Å; I618-W620 PolarHBondContact O-N 3.28Å; W620-Y623 PolarHBondContact O-N 3.39Å; W620-I624 HydrophobicContact CD2-CD1 3.99Å; W620-I624 HydrophobicContact CE3-CD1 4.36Å; W620-I624 HydrophobicContact CH2-CD1 3.69Å; W620-I624 HydrophobicContact CZ2-CD1 3.23Å; W620-I624 HydrophobicContact CZ3-CD1 4.22Å; W620-I624 PolarHBondContact O-N 3.45Å; W620-F779 HydrophobicContact CB-CD2 4.13Å; W620-F779 HydrophobicContact CB-CE2 4.09Å; W620-F779 HydrophobicContact CB-CG 4.43Å; W620-F779 HydrophobicContact CB-CZ 4.33Å; W620-F779 AromaticContact CD1-CD2 3.88Å; W620-F779 HydrophobicContact CG-CD2 4.44Å; W620-W933 HydrophobicContact CZ3-CH2 4.38Å; W620-W933 HydrophobicContact CZ3-CZ3 4.28Å; W620-L934 HydrophobicContact CH2-CD1 4.2Å
621	V	61.1	Low	51.6	Low	11 Å²	11	57.4 Å²	57.4	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-42.9	172.1	169.6	0	0	0	0	111.3	W617 I618 I624 N625 W933	W617-V621 WeakPolarHBondContact O-CG2 3.47Å; W617-V621 PolarHBondContact O-N 3.41Å; I618-V621 WeakPolarHBondContact O-CB 3.41Å; I618-V621 PolarHBondContact O-N 3.47Å; V621-I624 PolarHBondContact O-N 2.99Å; V621-N625 WeakPolarHBondContact O-CB 3.33Å; V621-N625 VanDerWaalsContact O-CG 3.28Å; V621-N625 PolarHBondContact O-N 2.71Å; V621-N625 PolarHBondContact O-ND2 3.27Å; V621-W933 HydrophobicContact CB-CH2 4.27Å; V621-W933 HydrophobicContact CB-CZ2 4.44Å; V621-W933 HydrophobicContact CG1-CH2 4.12Å; V621-W933 HydrophobicContact CG1-CZ2 3.84Å; V621-W933 HydrophobicContact CG2-CH2 3.77Å; V621-W933 HydrophobicContact CG2-CZ2 4.34Å; V621-W933 HydrophobicContact CG2-CZ3 4.28Å
622	Q	56.2	Low	51.6	Low	87 Å²	87	58.1 Å²	58.1	41%	0.407	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.3	-72.8	167.4	-4.7	0	0	111.5	I618 S619 N625 S626 D875	I618-Q622 HydrophobicContact CG2-CG 4.37Å; I618-Q622 WeakPolarHBondContact O-CB 3.34Å; I618-Q622 VanDerWaalsContact O-CG 3.31Å; I618-Q622 WeakPolarHBondContact O-CG 3.37Å; I618-Q622 PolarHBondContact O-N 3.47Å; S619-Q622 PolarHBondContact O-N 2.9Å; Q622-N625 PolarHBondContact O-N 3.38Å; Q622-S626 WeakPolarHBondContact O-CB 3.44Å; Q622-S626 PolarHBondContact O-N 3.31Å; Q622-S626 PolarHBondContact O-OG 3.47Å; Q622-D875 PolarHBondContact NE2-OD2 2.67Å
623	Y	61.1	Low	51.3	Low	20 Å²	20	61.8 Å²	61.8	8%	0.078	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-46	174.6	160.4	-94.3	0	0	0	112.5	S619 W620 N625 S626 R627 G774 F779	S619-Y623 VanDerWaalsContact O-CB 3.3Å; S619-Y623 WeakPolarHBondContact O-CB 3.47Å; S619-Y623 PolarHBondContact O-N 3.37Å; W620-Y623 PolarHBondContact O-N 3.39Å; Y623-N625 VanDerWaalsContact C-N 3.33Å; Y623-N625 PolarHBondContact O-N 2.94Å; Y623-S626 PolarHBondContact O-N 2.89Å; Y623-S626 PolarHBondContact O-OG 3.44Å; Y623-R627 VanDerWaalsContact CZ-CD 3.44Å; Y623-R627 WeakPolarHBondContact O-CB 3.3Å; Y623-R627 PolarHBondContact O-N 3.35Å; Y623-R627 VanDerWaalsContact OH-CD 3.24Å; Y623-R627 WeakPolarHBondContact OH-CD 3.27Å; Y623-R627 PolarHBondContact OH-NE 3.15Å; Y623-G774 WeakPolarHBondContact OH-CA 3.35Å; Y623-F779 HydrophobicContact CD1-CD2 4.46Å; Y623-F779 HydrophobicContact CD1-CE2 4.38Å; Y623-F779 HydrophobicContact CG-CE2 4.09Å
624	I	63.8	Low	50.8	Low	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-42.2	176.2	-84	-176.8	0	0	0	111.3	L515 W620 V621 R627 F628 W933 I937	L515-I624 HydrophobicContact CD2-CD1 3.87Å; W620-I624 HydrophobicContact CD2-CD1 3.99Å; W620-I624 HydrophobicContact CE3-CD1 4.36Å; W620-I624 HydrophobicContact CH2-CD1 3.69Å; W620-I624 HydrophobicContact CZ2-CD1 3.23Å; W620-I624 HydrophobicContact CZ3-CD1 4.22Å; W620-I624 PolarHBondContact O-N 3.45Å; V621-I624 PolarHBondContact O-N 2.99Å; I624-R627 PolarHBondContact O-N 3.02Å; I624-F628 HydrophobicContact CG2-CD2 4.29Å; I624-F628 PolarHBondContact O-N 3.03Å; I624-W933 HydrophobicContact CG2-CH2 4.06Å; I624-W933 HydrophobicContact CG2-CZ2 3.94Å; I624-I937 HydrophobicContact CG2-CD1 3.76Å; I624-I937 HydrophobicContact CG2-CG2 3.96Å
625	N	60.1	Low	50	Low	35 Å²	35	62.9 Å²	62.9	19%	0.187	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-40.9	176.6	-73.5	-27.1	0	0	0	111.8	V621 Q622 Y623 R627 H629	V621-N625 WeakPolarHBondContact O-CB 3.33Å; V621-N625 VanDerWaalsContact O-CG 3.28Å; V621-N625 PolarHBondContact O-N 2.71Å; V621-N625 PolarHBondContact O-ND2 3.27Å; Q622-N625 PolarHBondContact O-N 3.38Å; Y623-N625 VanDerWaalsContact C-N 3.33Å; Y623-N625 PolarHBondContact O-N 2.94Å; N625-R627 PolarHBondContact O-N 3.49Å; N625-H629 WeakPolarHBondContact O-CA 3.46Å; N625-H629 VanDerWaalsContact O-CB 3.24Å; N625-H629 WeakPolarHBondContact O-CB 3.21Å; N625-H629 PolarHBondContact O-N 3.05Å
626	S	58.1	Low	49.1	Very low	87 Å²	87	69.2 Å²	69.2	61%	0.608	36%	0.357	S	S	*	.	H	α-helix	trans	-68	-35.1	177.8	70.3	0	0	0	0	112.8	Q622 Y623	Q622-S626 WeakPolarHBondContact O-CB 3.44Å; Q622-S626 PolarHBondContact O-N 3.31Å; Q622-S626 PolarHBondContact O-OG 3.47Å; Y623-S626 PolarHBondContact O-N 2.89Å; Y623-S626 PolarHBondContact O-OG 3.44Å
627	R	61.2	Low	48.1	Very low	49 Å²	49	73.8 Å²	73.8	19%	0.185	38%	0.382	C	S	.	.	H	α-helix	trans	-78.1	-41.2	-178	-179.5	169.9	170.5	76.9	-20.6	114.1	A514 Y623 I624 N625 Q772 D773	A514-R627 PolarHBondContact O-NE 2.9Å; A514-R627 PolarHBondContact O-NH2 3.31Å; Y623-R627 VanDerWaalsContact CZ-CD 3.44Å; Y623-R627 WeakPolarHBondContact O-CB 3.3Å; Y623-R627 PolarHBondContact O-N 3.35Å; Y623-R627 VanDerWaalsContact OH-CD 3.24Å; Y623-R627 WeakPolarHBondContact OH-CD 3.27Å; Y623-R627 PolarHBondContact OH-NE 3.15Å; I624-R627 PolarHBondContact O-N 3.02Å; N625-R627 PolarHBondContact O-N 3.49Å; R627-Q772 PolarHBondContact NH1-O 3.04Å; R627-D773 VanDerWaalsContact CZ-O 3.24Å; R627-D773 PolarHBondContact NH1-O 3.27Å; R627-D773 PolarHBondContact NH2-O 3.29Å
628	F	63.1	Low	46.8	Very low	22 Å²	22	73 Å²	73	10%	0.096	39%	0.391	C	S	.	.	H	α-helix	trans	-109.4	-13.5	-172.7	-61	-65.2	0	0	0	114.6	A514 I624 P630 I941	A514-F628 WeakPolarHBondContact O-CZ 3.46Å; I624-F628 HydrophobicContact CG2-CD2 4.29Å; I624-F628 PolarHBondContact O-N 3.03Å; F628-P630 VanDerWaalsContact O-CD 3.29Å; F628-P630 WeakPolarHBondContact O-CD 3.29Å; F628-I941 HydrophobicContact CD1-CD1 4.37Å; F628-I941 HydrophobicContact CD1-CG1 3.85Å; F628-I941 HydrophobicContact CD2-CD1 3.89Å; F628-I941 HydrophobicContact CD2-CG1 4.24Å; F628-I941 HydrophobicContact CE1-CD1 4.07Å; F628-I941 HydrophobicContact CE1-CG1 3.68Å; F628-I941 HydrophobicContact CE2-CD1 3.54Å; F628-I941 HydrophobicContact CE2-CG1 4.08Å; F628-I941 HydrophobicContact CG-CD1 4.28Å; F628-I941 HydrophobicContact CG-CG1 4.13Å; F628-I941 HydrophobicContact CZ-CD1 3.64Å; F628-I941 HydrophobicContact CZ-CG1 3.79Å
629	H	56.1	Low	45.8	Very low	38 Å²	38	82 Å²	82	18%	0.176	43%	0.43	C	S	.	.			trans	-109.1	96	173.2	-94.8	-82.7	0	0	0	112.4	N625 S631	N625-H629 WeakPolarHBondContact O-CA 3.46Å; N625-H629 VanDerWaalsContact O-CB 3.24Å; N625-H629 WeakPolarHBondContact O-CB 3.21Å; N625-H629 PolarHBondContact O-N 3.05Å; H629-S631 PolarHBondContact O-N 2.89Å
630	P	40	Very low	44.7	Very low	133 Å²	133	89.4 Å²	89.4	86%	0.864	46%	0.458	S	S	*	.			trans	-75.2	63.9	176.8	32.2	-36.6	0	0	0	112.2	F628	F628-P630 VanDerWaalsContact O-CD 3.29Å; F628-P630 WeakPolarHBondContact O-CD 3.29Å
631	S	36.2	Very low	43.2	Very low	33 Å²	33	96.4 Å²	96.4	23%	0.231	49%	0.494	C	S	.	.			trans	-102.7	-27.8	-172.4	-65	0	0	0	0	114.5	H629	H629-S631 PolarHBondContact O-N 2.89Å
632	H	34.3	Very low	41.7	Very low	151 Å²	151	103.3 Å²	103.3	70%	0.699	53%	0.53	S	S	*	.	S	Bend	trans	-104.5	-10.2	-159.6	-82.5	-83.3	0	0	0	118.4	L634	H632-L634 VanDerWaalsContact C-N 3.34Å; H632-L634 PolarHBondContact O-N 2.9Å
633	K	31.8	Very low	40.2	Very low	171 Å²	171	107.5 Å²	107.5	74%	0.743	55%	0.55	S	S	*	.	S	Bend	trans	-83.1	8.6	-177.8	-82.7	-176.9	175.1	173.7	0	115.6
634	L	29.2	Very low	38.7	Very low	117 Å²	117	114 Å²	114	61%	0.613	59%	0.586	S	S	*	*	S	Bend	trans	-144.1	123.6	176.2	-79.5	172.7	0	0	0	113.7	H632	H632-L634 VanDerWaalsContact C-N 3.34Å; H632-L634 PolarHBondContact O-N 2.9Å
635	N	27.3	Very low	37.2	Very low	133 Å²	133	118.2 Å²	118.2	71%	0.711	61%	0.614	S	S	*	*			trans	74.9	81.4	173.5	-60	1.7	0	0	0	117.3	N637	N635-N637 VanDerWaalsContact C-N 3.33Å
636	L	28.5	Very low	35.5	Very low	158 Å²	158	126.2 Å²	126.2	83%	0.827	64%	0.642	S	S	*	*			trans	-83.3	0.8	169.5	-138.9	82	0	0	0	114.6
637	N	27.7	Very low	34.1	Very low	165 Å²	165	127.8 Å²	127.8	88%	0.882	65%	0.654	S	S	*	*	S	Bend	trans	-112.9	19.3	-161.7	-79.4	-0.7	0	0	0	115.7	N635	N635-N637 VanDerWaalsContact C-N 3.33Å
638	S	27	Very low	32.4	Very low	75 Å²	75	132.8 Å²	132.8	52%	0.524	68%	0.684	S	S	.	*			trans	-140.3	144.9	178.7	55.9	0	0	0	0	112.9
639	F	28.2	Very low	30.8	Very low	202 Å²	202	136.7 Å²	136.7	89%	0.886	72%	0.721	S	S	*	*			trans	84.2	64.5	-176.6	-58	-72.2	0	0	0	117.5
640	K	27.2	Very low	29.4	Very low	189 Å²	189	146.7 Å²	146.7	82%	0.822	76%	0.757	S	S	*	*				-67.1	173.6	128.3	-68.2	-178.8	175.9	-179.5	0	109.6
641	I	28.6	Very low	28.8	Very low	148 Å²	148	145.8 Å²	145.8	76%	0.759	75%	0.748	S	S	*	*			trans	103.9	116.3	160.3	-58.7	175.8	0	0	0	115.8
642	D	29.1	Very low	28.4	Very low	156 Å²	156	155.8 Å²	155.8	83%	0.834	78%	0.781	S	S	*	*			trans	86.5	142.9	151.9	-65.3	-6.3	0	0	0	125
643	Q	26.4	Very low	28.1	Very low	175 Å²	175	155.8 Å²	155.8	82%	0.818	78%	0.781	S	S	*	*			trans	-125.1	148.7	-172.6	-53.6	164.6	-9.6	0	0	107.6
644	N	28	Very low	28.2	Very low	157 Å²	157	153.7 Å²	153.7	84%	0.84	79%	0.788	S	S	*	*				-170.8	156.3	119.2	-107	-35.1	0	0	0	112.6
645	P	32.4	Very low	28.6	Very low	89 Å²	89	153.4 Å²	153.4	58%	0.578	80%	0.796	S	S	*	*			trans	-105.6	-165.6	-179	40	-31	0	0	0	113.3
646	Y	24.4	Very low	29	Very low	202 Å²	202	154.3 Å²	154.3	79%	0.792	79%	0.789	S	S	*	*			trans	79.9	113.2	174.5	-55.7	-70.2	0	0	0	118.6
647	S	29.4	Very low	29.6	Very low	121 Å²	121	148.2 Å²	148.2	85%	0.846	76%	0.76	S	S	*	*				-148.6	146.1	114.8	60.8	0	0	0	0	109.9
648	N	25	Very low	30.3	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	73%	0.734	S	S	*	*			trans	-108.5	130.8	-177.3	-71.2	-54.7	0	0	0	110.4
649	A	29.6	Very low	31	Very low	105 Å²	105	142.6 Å²	142.6	87%	0.868	73%	0.725	S	S	*	*			trans	-138.2	129.4	168.7	0	0	0	0	0	110.7
650	R	26.5	Very low	31.4	Very low	248 Å²	248	138.3 Å²	138.3	94%	0.936	71%	0.709	S	S	*	*			trans	-96.4	133.5	-176	-61.8	171.7	176.4	165.8	-2.8	110.9
651	V	28.9	Very low	32	Very low	114 Å²	114	133.7 Å²	133.7	69%	0.691	70%	0.697	S	S	*	*			trans	-135.1	122.4	154.3	-176.7	0	0	0	0	108.6
652	R	26.2	Very low	32.4	Very low	243 Å²	243	128.4 Å²	128.4	92%	0.917	68%	0.675	S	S	*	*			trans	-93.6	127.5	172.8	-72.3	177.1	169.6	179.1	-4.8	108.8
653	E	29.7	Very low	32.7	Very low	150 Å²	150	125.6 Å²	125.6	70%	0.701	67%	0.668	S	S	*	*			trans	-153.4	137.4	160.1	-121	164.3	-158.6	0	0	111	S655	E653-S655 PolarHBondContact O-N 3.13Å; E653-S655 VanDerWaalsContact O-N 3.14Å
654	S	33.2	Very low	33.3	Very low	128 Å²	128	123.4 Å²	123.4	90%	0.895	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	62	-147.8	58.2	0	0	0	0	114.5
655	S	36.9	Very low	33.6	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.3	12	175.3	58.2	0	0	0	0	115.1	E653	E653-S655 PolarHBondContact O-N 3.13Å; E653-S655 VanDerWaalsContact O-N 3.14Å
656	R	35.5	Very low	34	Very low	152 Å²	152	117 Å²	117	57%	0.574	64%	0.636	S	S	*	*			trans	-88.3	145.9	-176.8	-62.7	-176.8	-179.7	-178.4	-0.1	111.8	M660	R656-M660 HydrophobicContact CB-CB 4.13Å; R656-M660 HydrophobicContact CB-CG 4.47Å
657	P	42.7	Very low	34.8	Very low	31 Å²	31	110.1 Å²	110.1	20%	0.201	61%	0.611	C	S	.	*			trans	-65.6	155.9	176	28.2	-35.3	0	0	0	111.6	V659 M660 F677	P657-V659 PolarHBondContact O-N 2.95Å; P657-M660 HydrophobicContact CG-CG 4.3Å; P657-M660 WeakPolarHBondContact O-CB 3.41Å; P657-M660 PolarHBondContact O-N 3.21Å; P657-F677 WeakPolarHBondContact CB-O 3.41Å
658	L	40.9	Very low	35.4	Very low	64 Å²	64	106.4 Å²	106.4	34%	0.335	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-59.3	-23.9	-177.8	-90.3	100.9	0	0	0	113.7	M660 T661 A662 L671	L658-M660 PolarHBondContact O-N 3.08Å; L658-T661 PolarHBondContact O-N 3.41Å; L658-T661 PolarHBondContact O-OG1 2.93Å; L658-A662 WeakPolarHBondContact O-CB 3.43Å; L658-A662 PolarHBondContact O-N 3.38Å; L658-L671 HydrophobicContact CD1-CD2 4.14Å; L658-L671 HydrophobicContact CD2-CD2 4.27Å
659	V	42.5	Very low	36.1	Very low	58 Å²	58	106.1 Å²	106.1	35%	0.352	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-51.7	-25.7	169.5	168.4	0	0	0	0	113.6	P657 F677	P657-V659 PolarHBondContact O-N 2.95Å; V659-F677 HydrophobicContact CG2-CD1 4.17Å; V659-F677 HydrophobicContact CG2-CD2 3.7Å; V659-F677 HydrophobicContact CG2-CE1 3.93Å; V659-F677 HydrophobicContact CG2-CE2 3.43Å; V659-F677 VanDerWaalsContact CG2-CE2 3.43Å; V659-F677 HydrophobicContact CG2-CG 4.06Å; V659-F677 HydrophobicContact CG2-CZ 3.56Å; V659-F677 WeakPolarHBondContact CG2-O 3.4Å
660	M	36.4	Very low	36.7	Very low	112 Å²	112	107.9 Å²	107.9	55%	0.552	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-92.5	-0.2	178.7	-68.9	-77.3	118.9	0	0	114	R656 P657 L658	R656-M660 HydrophobicContact CB-CB 4.13Å; R656-M660 HydrophobicContact CB-CG 4.47Å; P657-M660 HydrophobicContact CG-CG 4.3Å; P657-M660 WeakPolarHBondContact O-CB 3.41Å; P657-M660 PolarHBondContact O-N 3.21Å; L658-M660 PolarHBondContact O-N 3.08Å
661	T	38.9	Very low	37.8	Very low	91 Å²	91	96.8 Å²	96.8	56%	0.558	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	-23.4	-177.6	53.8	0	0	0	0	114.5	L658 S663	L658-T661 PolarHBondContact O-N 3.41Å; L658-T661 PolarHBondContact O-OG1 2.93Å; T661-S663 PolarHBondContact O-N 2.88Å
662	A	38.4	Very low	38.6	Very low	37 Å²	37	97.6 Å²	97.6	31%	0.306	53%	0.534	S	S	.	.			trans	-62.1	114.8	-176.3	0	0	0	0	0	111.3	L658 E667 L668	L658-A662 WeakPolarHBondContact O-CB 3.43Å; L658-A662 PolarHBondContact O-N 3.38Å; A662-E667 WeakPolarHBondContact CA-OE2 3.34Å; A662-E667 HydrophobicContact CB-CB 4.24Å; A662-L668 HydrophobicContact CB-CD2 4.26Å
663	S	35.1	Very low	39.8	Very low	98 Å²	98	91.8 Å²	91.8	69%	0.685	52%	0.515	S	S	*	.			trans	-101.3	-20.5	-179.1	68.3	0	0	0	0	113	T661 E667	T661-S663 PolarHBondContact O-N 2.88Å; S663-E667 WeakPolarHBondContact CA-OE1 3.48Å; S663-E667 WeakPolarHBondContact CB-OE1 3.34Å; S663-E667 PolarHBondContact N-OE1 3.03Å; S663-E667 PolarHBondContact OG-OE1 3.1Å
664	Q	38.2	Very low	40.8	Very low	129 Å²	129	85 Å²	85	60%	0.603	48%	0.484	S	S	*	.	S	Bend	trans	-134.9	145.9	-179.2	-59.1	-179.1	7.5	0	0	110.8	S666 E667	Q664-S666 VanDerWaalsContact CB-OG 3.25Å; Q664-S666 WeakPolarHBondContact CB-OG 3.35Å; Q664-S666 PolarHBondContact O-N 3.31Å; Q664-S666 VanDerWaalsContact O-N 3.16Å; Q664-S666 PolarHBondContact OE1-OG 2.92Å; Q664-E667 PolarHBondContact N-OE1 2.86Å; Q664-E667 WeakPolarHBondContact O-CB 3.34Å; Q664-E667 PolarHBondContact O-N 3.36Å
665	G	35.2	Very low	41.7	Very low	54 Å²	54	80.5 Å²	80.5	56%	0.557	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.2	177.6	0	0	0	0	0	114.2	E667 L668	G665-E667 PolarHBondContact O-N 2.92Å; G665-L668 WeakPolarHBondContact O-CB 3.36Å; G665-L668 PolarHBondContact O-N 3.35Å; G665-L668 VanDerWaalsContact O-N 3.12Å
666	S	41.2	Very low	42.4	Very low	58 Å²	58	78 Å²	78	41%	0.406	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.5	170.3	44.2	0	0	0	0	113.4	Q664 L668 L669	Q664-S666 VanDerWaalsContact CB-OG 3.25Å; Q664-S666 WeakPolarHBondContact CB-OG 3.35Å; Q664-S666 PolarHBondContact O-N 3.31Å; Q664-S666 VanDerWaalsContact O-N 3.16Å; Q664-S666 PolarHBondContact OE1-OG 2.92Å; S666-L668 PolarHBondContact O-N 2.87Å; S666-L669 PolarHBondContact O-N 3.12Å
667	E	39.4	Very low	43	Very low	56 Å²	56	71.8 Å²	71.8	26%	0.262	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-71.2	-20	176.2	-59.9	177.9	-116	0	0	112.3	A662 S663 Q664 G665	A662-E667 WeakPolarHBondContact CA-OE2 3.34Å; A662-E667 HydrophobicContact CB-CB 4.24Å; S663-E667 WeakPolarHBondContact CA-OE1 3.48Å; S663-E667 WeakPolarHBondContact CB-OE1 3.34Å; S663-E667 PolarHBondContact N-OE1 3.03Å; S663-E667 PolarHBondContact OG-OE1 3.1Å; Q664-E667 PolarHBondContact N-OE1 2.86Å; Q664-E667 WeakPolarHBondContact O-CB 3.34Å; Q664-E667 PolarHBondContact O-N 3.36Å; G665-E667 PolarHBondContact O-N 2.92Å
668	L	43.8	Very low	43.1	Very low	43 Å²	43	71.3 Å²	71.3	23%	0.225	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-86	-18.2	177.3	-56.5	178.7	0	0	0	113.2	A662 G665 S666 N670 L671 F677	A662-L668 HydrophobicContact CB-CD2 4.26Å; G665-L668 WeakPolarHBondContact O-CB 3.36Å; G665-L668 PolarHBondContact O-N 3.35Å; G665-L668 VanDerWaalsContact O-N 3.12Å; S666-L668 PolarHBondContact O-N 2.87Å; L668-N670 VanDerWaalsContact C-N 3.29Å; L668-N670 PolarHBondContact O-N 2.65Å; L668-L671 HydrophobicContact CB-CD1 4.5Å; L668-L671 HydrophobicContact CD2-CD1 4.05Å; L668-F677 HydrophobicContact CD2-CD2 4Å; L668-F677 HydrophobicContact CD2-CE2 3.8Å
669	L	39.8	Very low	43.7	Very low	148 Å²	148	69.4 Å²	69.4	78%	0.775	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.7	-179.8	-66.1	174.7	0	0	0	113.6	S666	S666-L669 PolarHBondContact O-N 3.12Å
670	N	42	Very low	43.8	Very low	141 Å²	141	71 Å²	71	75%	0.754	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	23.5	-179.4	-64.5	-33.7	0	0	0	112.8	L668	L668-N670 VanDerWaalsContact C-N 3.29Å; L668-N670 PolarHBondContact O-N 2.65Å
671	L	49.2	Very low	44	Very low	15 Å²	15	67.6 Å²	67.6	8%	0.079	40%	0.399	C	S	.	.			trans	-103.4	109.3	-178.6	-61.4	175	0	0	0	109.6	L658 L668 K673 D676 F677 F718	L658-L671 HydrophobicContact CD1-CD2 4.14Å; L658-L671 HydrophobicContact CD2-CD2 4.27Å; L668-L671 HydrophobicContact CB-CD1 4.5Å; L668-L671 HydrophobicContact CD2-CD1 4.05Å; L671-K673 VanDerWaalsContact C-N 3.25Å; L671-K673 PolarHBondContact O-N 3.34Å; L671-D676 HydrophobicContact CD2-CB 3.92Å; L671-F677 HydrophobicContact CD1-CB 4.08Å; L671-F677 HydrophobicContact CD1-CD2 3.94Å; L671-F677 HydrophobicContact CD1-CG 4.49Å; L671-F718 HydrophobicContact CB-CD1 4.22Å; L671-F718 HydrophobicContact CB-CE1 3.74Å; L671-F718 HydrophobicContact CB-CZ 4.1Å; L671-F718 HydrophobicContact CD1-CE1 4.44Å; L671-F718 HydrophobicContact CD1-CZ 4.2Å; L671-F718 WeakPolarHBondContact O-CD1 3.19Å
672	D	45.2	Very low	44.4	Very low	132 Å²	132	64.7 Å²	64.7	71%	0.706	38%	0.379	S	S	*	.			trans	-73	-18.1	178.5	-71.9	-25.1	0	0	0	112.7
673	K	51.9	Low	44.8	Very low	121 Å²	121	64.9 Å²	64.9	53%	0.526	37%	0.373	S	S	.	.	S	Bend	trans	-148	149.6	-169.3	-59.4	167.6	-169.8	148.2	0	113.3	L671 S675 D676	L671-K673 VanDerWaalsContact C-N 3.25Å; L671-K673 PolarHBondContact O-N 3.34Å; K673-S675 WeakPolarHBondContact CB-OG 3.32Å; K673-S675 PolarHBondContact O-N 2.84Å; K673-D676 WeakPolarHBondContact O-CB 3.44Å; K673-D676 PolarHBondContact O-N 3.48Å
674	A	50.1	Low	45.5	Very low	6 Å²	6	64 Å²	64	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-24.9	168.8	0	0	0	0	0	113.2	D676 L678 R715 F718	A674-D676 PolarHBondContact O-N 2.99Å; A674-L678 WeakPolarHBondContact O-CB 3.43Å; A674-L678 PolarHBondContact O-N 3.43Å; A674-R715 HydrophobicContact CB-CG 4.44Å; A674-F718 HydrophobicContact CB-CD2 4.43Å
675	S	52.9	Low	45.8	Very low	35 Å²	35	62.9 Å²	62.9	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-26.8	171.2	56.6	0	0	0	0	113.4	K673 G679 E682	K673-S675 WeakPolarHBondContact CB-OG 3.32Å; K673-S675 PolarHBondContact O-N 2.84Å; S675-G679 WeakPolarHBondContact O-CA 3.31Å; S675-G679 PolarHBondContact O-N 3.41Å; S675-E682 WeakPolarHBondContact CA-OE2 3.41Å; S675-E682 VanDerWaalsContact CB-OE2 3.24Å; S675-E682 WeakPolarHBondContact CB-OE2 3.42Å; S675-E682 PolarHBondContact N-OE2 3.3Å
676	D	51	Low	46.2	Very low	58 Å²	58	63 Å²	63	31%	0.31	36%	0.355	S	S	.	.	H	α-helix	trans	-92.9	-28	-169.6	-50.2	-18.3	0	0	0	109.7	L671 K673 A674	L671-D676 HydrophobicContact CD2-CB 3.92Å; K673-D676 WeakPolarHBondContact O-CB 3.44Å; K673-D676 PolarHBondContact O-N 3.48Å; A674-D676 PolarHBondContact O-N 2.99Å
677	F	47.3	Very low	46.3	Very low	21 Å²	21	70.3 Å²	70.3	9%	0.092	37%	0.374	C	S	.	.	H	α-helix	trans	-72.7	-49.6	165.6	-170	-111.6	0	0	0	112.6	P657 V659 L668 L671 L714 F718	P657-F677 WeakPolarHBondContact CB-O 3.41Å; V659-F677 HydrophobicContact CG2-CD1 4.17Å; V659-F677 HydrophobicContact CG2-CD2 3.7Å; V659-F677 HydrophobicContact CG2-CE1 3.93Å; V659-F677 HydrophobicContact CG2-CE2 3.43Å; V659-F677 VanDerWaalsContact CG2-CE2 3.43Å; V659-F677 HydrophobicContact CG2-CG 4.06Å; V659-F677 HydrophobicContact CG2-CZ 3.56Å; V659-F677 WeakPolarHBondContact CG2-O 3.4Å; L668-F677 HydrophobicContact CD2-CD2 4Å; L668-F677 HydrophobicContact CD2-CE2 3.8Å; L671-F677 HydrophobicContact CD1-CB 4.08Å; L671-F677 HydrophobicContact CD1-CD2 3.94Å; L671-F677 HydrophobicContact CD1-CG 4.49Å; F677-L714 HydrophobicContact CD1-CD1 4.07Å; F677-L714 HydrophobicContact CD1-CD2 3.98Å; F677-L714 HydrophobicContact CE1-CD1 4.19Å; F677-L714 HydrophobicContact CE1-CD2 4Å; F677-F718 HydrophobicContact CB-CE2 4.47Å
678	L	46.3	Very low	46.4	Very low	20 Å²	20	69.3 Å²	69.3	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-93.3	-13.4	-172.4	-61.6	173.8	0	0	0	114.1	A674 S680 T681 E682 L714	A674-L678 WeakPolarHBondContact O-CB 3.43Å; A674-L678 PolarHBondContact O-N 3.43Å; L678-S680 PolarHBondContact O-N 3.46Å; L678-T681 WeakPolarHBondContact O-CB 3.19Å; L678-T681 PolarHBondContact O-N 3.13Å; L678-T681 PolarHBondContact O-OG1 3.44Å; L678-E682 HydrophobicContact CB-CB 3.95Å; L678-E682 HydrophobicContact CD1-CB 4.31Å; L678-E682 HydrophobicContact CD1-CG 4.13Å; L678-L714 HydrophobicContact CD1-CD1 4.41Å
679	G	52.4	Low	46.3	Very low	24 Å²	24	72.3 Å²	72.3	25%	0.247	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	58.1	-130.5	178.8	0	0	0	0	0	113.5	S675 T681	S675-G679 WeakPolarHBondContact O-CA 3.31Å; S675-G679 PolarHBondContact O-N 3.41Å; G679-T681 PolarHBondContact O-N 3.43Å
680	S	45.5	Very low	46.3	Very low	92 Å²	92	66.3 Å²	66.3	64%	0.643	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.5	-17.7	174.9	53.8	0	0	0	0	113.6	L678 K684	L678-S680 PolarHBondContact O-N 3.46Å; S680-K684 PolarHBondContact O-NZ 3.47Å
681	T	40.5	Very low	45.9	Very low	40 Å²	40	63.7 Å²	63.7	25%	0.245	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-91.1	-6.8	-173.5	76.9	0	0	0	0	114.8	R584 L678 G679 F683	R584-T681 PolarHBondContact NE-O 2.88Å; R584-T681 PolarHBondContact NH2-O 2.97Å; L678-T681 WeakPolarHBondContact O-CB 3.19Å; L678-T681 PolarHBondContact O-N 3.13Å; L678-T681 PolarHBondContact O-OG1 3.44Å; G679-T681 PolarHBondContact O-N 3.43Å; T681-F683 PolarHBondContact O-N 2.95Å
682	E	46.4	Very low	45.4	Very low	30 Å²	30	64.5 Å²	64.5	14%	0.14	35%	0.351	C	S	.	.	S	Bend	trans	-55.1	138	169.8	-164.5	-167.2	-178.9	0	0	109.9	S675 L678 K684 R715	S675-E682 WeakPolarHBondContact CA-OE2 3.41Å; S675-E682 VanDerWaalsContact CB-OE2 3.24Å; S675-E682 WeakPolarHBondContact CB-OE2 3.42Å; S675-E682 PolarHBondContact N-OE2 3.3Å; L678-E682 HydrophobicContact CB-CB 3.95Å; L678-E682 HydrophobicContact CD1-CB 4.31Å; L678-E682 HydrophobicContact CD1-CG 4.13Å; E682-K684 PolarHBondContact O-N 2.95Å; E682-R715 IonicContact OE1-CZ 3.46Å; E682-R715 IonicContact OE1-NH1 2.71Å; E682-R715 PolarHBondContact OE1-NH1 3.17Å; E682-R715 IonicContact OE1-NH2 3.58Å; E682-R715 PolarHBondContact OE1-NH2 2.96Å
683	F	47.5	Very low	44.9	Very low	42 Å²	42	60.7 Å²	60.7	18%	0.184	33%	0.329	C	S	.	.			trans	-59.3	114.2	-179.7	-170	-86.6	0	0	0	112.3	T681 I685 D688 E693 K707	T681-F683 PolarHBondContact O-N 2.95Å; F683-I685 HydrophobicContact CD1-CG1 4.43Å; F683-I685 HydrophobicContact CE1-CG1 4.31Å; F683-D688 HydrophobicContact CD2-CB 3.73Å; F683-D688 HydrophobicContact CE1-CB 4.45Å; F683-D688 HydrophobicContact CE2-CB 3.35Å; F683-D688 WeakPolarHBondContact CE2-O 3.16Å; F683-D688 HydrophobicContact CG-CB 4.41Å; F683-D688 HydrophobicContact CZ-CB 3.72Å; F683-D688 WeakPolarHBondContact CZ-O 3.3Å; F683-E693 WeakPolarHBondContact CE1-OE1 3.29Å; F683-E693 WeakPolarHBondContact CZ-OE1 3.43Å; F683-K707 HydrophobicContact CD1-CB 3.89Å; F683-K707 HydrophobicContact CD1-CD 4.26Å; F683-K707 HydrophobicContact CD2-CB 4.5Å; F683-K707 HydrophobicContact CD2-CD 4.35Å; F683-K707 HydrophobicContact CE1-CB 3.97Å; F683-K707 HydrophobicContact CE1-CD 3.54Å; F683-K707 HydrophobicContact CE1-CG 4.42Å; F683-K707 HydrophobicContact CE2-CD 3.63Å; F683-K707 HydrophobicContact CG-CB 4.21Å; F683-K707 HydrophobicContact CZ-CB 4.34Å; F683-K707 HydrophobicContact CZ-CD 3.21Å; F683-K707 HydrophobicContact CZ-CG 4.39Å
684	K	49.8	Very low	44	Very low	80 Å²	80	61.1 Å²	61.1	35%	0.348	33%	0.333	S	S	.	.			trans	-102.1	105.4	177.5	-76	147.7	-170.7	149.8	0	110.8	S680 E682 G686 R687 D688	S680-K684 PolarHBondContact O-NZ 3.47Å; E682-K684 PolarHBondContact O-N 2.95Å; K684-G686 PolarHBondContact O-N 3Å; K684-R687 HydrophobicContact CB-CB 4.06Å; K684-R687 PolarHBondContact O-N 2.92Å; K684-D688 PolarHBondContact N-OD2 3.12Å; K684-D688 PolarHBondContact O-N 3.4Å
685	I	43.7	Very low	43.2	Very low	104 Å²	104	66.1 Å²	66.1	53%	0.533	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	126	168.7	-55.5	162.4	0	0	0	109	F683 R687 A704	F683-I685 HydrophobicContact CD1-CG1 4.43Å; F683-I685 HydrophobicContact CE1-CG1 4.31Å; I685-R687 VanDerWaalsContact C-N 3.34Å; I685-R687 PolarHBondContact O-N 3.5Å; I685-A704 HydrophobicContact CD1-CB 3.73Å; I685-A704 HydrophobicContact CG1-CB 4.19Å
686	G	44.6	Very low	42.1	Very low	57 Å²	57	70 Å²	70	59%	0.588	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	10.8	-177.9	0	0	0	0	0	115.6	K684 E693	K684-G686 PolarHBondContact O-N 3Å; G686-E693 PolarHBondContact N-OE2 3.08Å
687	R	42.1	Very low	41.1	Very low	212 Å²	212	76.4 Å²	76.4	80%	0.8	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	-35.6	169.5	-75	-169.5	176.2	-170.7	0.3	113.8	K684 I685 I689	K684-R687 HydrophobicContact CB-CB 4.06Å; K684-R687 PolarHBondContact O-N 2.92Å; I685-R687 VanDerWaalsContact C-N 3.34Å; I685-R687 PolarHBondContact O-N 3.5Å; R687-I689 PolarHBondContact O-N 2.91Å
688	D	42.3	Very low	40.5	Very low	35 Å²	35	86 Å²	86	19%	0.187	45%	0.45	C	S	.	.	S	Bend	trans	-91.5	67.2	179.2	-79.8	-66.7	0	0	0	111.2	R584 F683 K684 G690	R584-D688 IonicContact CZ-OD1 3.92Å; R584-D688 IonicContact CZ-OD2 2.77Å; R584-D688 IonicContact NH1-OD1 3.21Å; R584-D688 PolarHBondContact NH1-OD1 3.43Å; R584-D688 IonicContact NH2-OD1 2.75Å; R584-D688 PolarHBondContact NH2-OD1 2.78Å; R584-D688 IonicContact NH2-OD2 2.63Å; R584-D688 PolarHBondContact NH2-OD2 2.87Å; F683-D688 HydrophobicContact CD2-CB 3.73Å; F683-D688 HydrophobicContact CE1-CB 4.45Å; F683-D688 HydrophobicContact CE2-CB 3.35Å; F683-D688 WeakPolarHBondContact CE2-O 3.16Å; F683-D688 HydrophobicContact CG-CB 4.41Å; F683-D688 HydrophobicContact CZ-CB 3.72Å; F683-D688 WeakPolarHBondContact CZ-O 3.3Å; K684-D688 PolarHBondContact N-OD2 3.12Å; K684-D688 PolarHBondContact O-N 3.4Å; D688-G690 PolarHBondContact O-N 3.43Å
689	I	41.1	Very low	39.8	Very low	105 Å²	105	88.8 Å²	88.8	54%	0.538	46%	0.464	S	S	.	.			trans	-73.8	74.6	-173.2	-49.6	-178.7	0	0	0	111.7	K576 R687	K576-I689 PolarHBondContact NZ-O 2.87Å; R687-I689 PolarHBondContact O-N 2.91Å
690	G	39.8	Very low	38.8	Very low	22 Å²	22	95.6 Å²	95.6	23%	0.227	49%	0.487	C	S	.	.			trans	-87.7	168.1	152.2	0	0	0	0	0	111.2	D688 K707	D688-G690 PolarHBondContact O-N 3.43Å; G690-K707 PolarHBondContact O-NZ 3.23Å
691	W	33.9	Very low	38.3	Very low	87 Å²	87	95.4 Å²	95.4	33%	0.33	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-7.5	120.6	172	-96.8	96	0	0	0	117.5	K707 L787 W822	W691-K707 WeakPolarHBondContact O-CE 3.36Å; W691-K707 PolarHBondContact O-NZ 3.29Å; W691-L787 HydrophobicContact CD2-CD2 4.29Å; W691-L787 HydrophobicContact CE3-CD2 4.05Å; W691-L787 HydrophobicContact CH2-CB 3.66Å; W691-L787 HydrophobicContact CH2-CD1 3.52Å; W691-L787 HydrophobicContact CH2-CD2 3.52Å; W691-L787 HydrophobicContact CH2-CG 3.73Å; W691-L787 HydrophobicContact CZ2-CD1 3.59Å; W691-L787 HydrophobicContact CZ2-CD2 3.74Å; W691-L787 HydrophobicContact CZ2-CG 4.13Å; W691-L787 HydrophobicContact CZ3-CB 3.93Å; W691-L787 HydrophobicContact CZ3-CD1 4.46Å; W691-L787 HydrophobicContact CZ3-CD2 3.68Å; W691-L787 HydrophobicContact CZ3-CG 4.2Å; W691-W822 HydrophobicContact CD2-CZ2 4.34Å; W691-W822 AromaticContact CE2-CZ2 3.8Å; W691-W822 HydrophobicContact CE3-CZ2 4.26Å; W691-W822 HydrophobicContact CH2-CD2 4.42Å; W691-W822 AromaticContact CH2-CE2 3.41Å; W691-W822 VanDerWaalsContact CH2-CE2 3.41Å; W691-W822 AromaticContact CH2-CH2 3.6Å; W691-W822 HydrophobicContact CH2-CH2 3.6Å; W691-W822 AromaticContact CH2-CZ2 2.97Å; W691-W822 HydrophobicContact CH2-CZ2 2.97Å; W691-W822 AromaticContact CH2-NE1 3.75Å; W691-W822 AromaticContact CZ2-CH2 3.44Å; W691-W822 HydrophobicContact CZ2-CH2 3.44Å; W691-W822 VanDerWaalsContact CZ2-CH2 3.44Å; W691-W822 AromaticContact CZ2-CZ2 3.1Å; W691-W822 HydrophobicContact CZ2-CZ2 3.1Å; W691-W822 AromaticContact CZ3-CE2 3.75Å; W691-W822 AromaticContact CZ3-CZ2 3.62Å; W691-W822 HydrophobicContact CZ3-CZ2 3.62Å; W691-W822 AromaticContact CZ3-NE1 3.56Å
692	G	39.1	Very low	38.2	Very low	32 Å²	32	95.4 Å²	95.4	33%	0.33	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	3.9	161.3	0	0	0	0	0	118.3	E694	G692-E694 PolarHBondContact O-N 3.17Å; G692-E694 VanDerWaalsContact O-N 3.11Å
693	E	34.9	Very low	37.8	Very low	51 Å²	51	96.6 Å²	96.6	24%	0.238	49%	0.489	C	S	.	.			trans	-90	51.1	-169.4	-143.2	157.4	-72.6	0	0	115.6	F683 G686 K707	F683-E693 WeakPolarHBondContact CE1-OE1 3.29Å; F683-E693 WeakPolarHBondContact CZ-OE1 3.43Å; G686-E693 PolarHBondContact N-OE2 3.08Å; E693-K707 WeakPolarHBondContact OE1-CD 3.49Å; E693-K707 IonicContact OE1-NZ 2.73Å; E693-K707 PolarHBondContact OE1-NZ 3.1Å
694	E	33.9	Very low	37.6	Very low	130 Å²	130	96.1 Å²	96.1	61%	0.607	49%	0.493	S	S	*	.	S	Bend	trans	-150.3	143.7	165.7	-142.1	175.5	-138.9	0	0	113.6	G692 M696 Q829	G692-E694 PolarHBondContact O-N 3.17Å; G692-E694 VanDerWaalsContact O-N 3.11Å; E694-M696 PolarHBondContact O-N 3.32Å; E694-Q829 PolarHBondContact OE2-NE2 3.03Å
695	S	31.6	Very low	37.1	Very low	111 Å²	111	95.2 Å²	95.2	78%	0.776	50%	0.497	S	S	*	.			trans	-97.8	70.4	-166.5	54.1	0	0	0	0	114.3	K697	S695-K697 PolarHBondContact O-N 2.9Å; S695-K697 VanDerWaalsContact O-N 3.08Å
696	M	30.4	Very low	36.9	Very low	117 Å²	117	93.7 Å²	93.7	58%	0.576	49%	0.493	S	S	*	.			trans	-67.1	106.4	171.6	-73.4	-107.7	-166.1	0	0	112	E694 D825	E694-M696 PolarHBondContact O-N 3.32Å; M696-D825 VanDerWaalsContact CE-OD2 3.32Å; M696-D825 WeakPolarHBondContact CE-OD2 3.37Å
697	K	30.9	Very low	36.9	Very low	193 Å²	193	92.1 Å²	92.1	84%	0.839	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	83.7	162.9	-65.8	174.1	-177.7	167.4	0	115.6	S695 I699	S695-K697 PolarHBondContact O-N 2.9Å; S695-K697 VanDerWaalsContact O-N 3.08Å; K697-I699 PolarHBondContact O-N 3.46Å
698	K	34.8	Very low	37	Very low	221 Å²	221	84.2 Å²	84.2	96%	0.961	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-17.5	171.1	-69.2	-172.3	175.9	-177.9	0	118.2
699	I	31.4	Very low	37.1	Very low	80 Å²	80	85.3 Å²	85.3	41%	0.41	45%	0.453	S	S	.	.			trans	-89.6	124.6	179.9	-48	-178.8	0	0	0	110.3	K697 I701 K790	K697-I699 PolarHBondContact O-N 3.46Å; I699-I701 HydrophobicContact CB-CG1 4.18Å; I699-I701 HydrophobicContact CG2-CD1 4.15Å; I699-I701 HydrophobicContact CG2-CG1 3.54Å; I699-I701 PolarHBondContact O-N 3.27Å; I699-K790 HydrophobicContact CD1-CD 4.26Å
700	K	31.1	Very low	37.1	Very low	166 Å²	166	85.8 Å²	85.8	72%	0.722	46%	0.456	S	S	*	.			trans	-84.8	85.4	169.7	-78	-172.4	165.1	-155.9	0	110.2	D703	K700-D703 HydrophobicContact CB-CB 4.48Å; K700-D703 HydrophobicContact CD-CB 4.29Å; K700-D703 WeakPolarHBondContact CD-OD1 3.25Å; K700-D703 WeakPolarHBondContact CE-OD1 3.25Å; K700-D703 IonicContact NZ-OD1 2.75Å; K700-D703 PolarHBondContact NZ-OD1 3.05Å
701	I	34.6	Very low	37.4	Very low	88 Å²	88	85.2 Å²	85.2	45%	0.451	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	118.5	174.3	-52.2	-178.7	0	0	0	107.6	I699 K790	I699-I701 HydrophobicContact CB-CG1 4.18Å; I699-I701 HydrophobicContact CG2-CD1 4.15Å; I699-I701 HydrophobicContact CG2-CG1 3.54Å; I699-I701 PolarHBondContact O-N 3.27Å; I701-K790 HydrophobicContact CD1-CG 4.39Å
702	A	37.8	Very low	37.9	Very low	41 Å²	41	83.6 Å²	83.6	34%	0.339	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	65.2	-169.5	0	0	0	0	0	113.3
703	D	39	Very low	38	Very low	54 Å²	54	84.6 Å²	84.6	29%	0.289	45%	0.445	S	S	.	.			trans	-47.1	150.4	162.5	-179.7	87.6	0	0	0	110.7	K700 S705 V706	K700-D703 HydrophobicContact CB-CB 4.48Å; K700-D703 HydrophobicContact CD-CB 4.29Å; K700-D703 WeakPolarHBondContact CD-OD1 3.25Å; K700-D703 WeakPolarHBondContact CE-OD1 3.25Å; K700-D703 IonicContact NZ-OD1 2.75Å; K700-D703 PolarHBondContact NZ-OD1 3.05Å; D703-S705 PolarHBondContact O-N 3.4Å; D703-S705 VanDerWaalsContact OD2-CB 3.22Å; D703-S705 WeakPolarHBondContact OD2-CB 3.36Å; D703-S705 PolarHBondContact OD2-N 3.31Å; D703-S705 PolarHBondContact OD2-OG 3.03Å; D703-V706 PolarHBondContact O-N 2.94Å
704	A	42	Very low	38.4	Very low	33 Å²	33	82.4 Å²	82.4	27%	0.273	44%	0.435	S	S	.	.	H	α-helix	trans	-49.5	-33.5	-177.6	0	0	0	0	0	112.3	I685 V706 K707 L708	I685-A704 HydrophobicContact CD1-CB 3.73Å; I685-A704 HydrophobicContact CG1-CB 4.19Å; A704-V706 PolarHBondContact O-N 3.47Å; A704-K707 PolarHBondContact O-N 2.88Å; A704-K707 VanDerWaalsContact O-N 3.09Å; A704-L708 HydrophobicContact CB-CD1 4.26Å; A704-L708 VanDerWaalsContact O-CB 3.32Å; A704-L708 WeakPolarHBondContact O-CB 3.14Å; A704-L708 WeakPolarHBondContact O-CG 3.4Å; A704-L708 PolarHBondContact O-N 3.38Å
705	S	40.1	Very low	39	Very low	60 Å²	60	78.2 Å²	78.2	42%	0.42	41%	0.414	S	S	.	.	H	α-helix	trans	-47.2	-23.8	171.3	54.1	0	0	0	0	116	D703 L708 S709	D703-S705 PolarHBondContact O-N 3.4Å; D703-S705 VanDerWaalsContact OD2-CB 3.22Å; D703-S705 WeakPolarHBondContact OD2-CB 3.36Å; D703-S705 PolarHBondContact OD2-N 3.31Å; D703-S705 PolarHBondContact OD2-OG 3.03Å; S705-L708 CarbonylContact O-C 3.51Å; S705-S709 WeakPolarHBondContact O-CA 3.32Å; S705-S709 VanDerWaalsContact O-CB 3.23Å; S705-S709 WeakPolarHBondContact O-CB 3.32Å; S705-S709 PolarHBondContact O-N 3.16Å
706	V	39.9	Very low	39.8	Very low	73 Å²	73	75.9 Å²	75.9	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-87	-33.8	178.7	-175.3	0	0	0	0	113	D703 A704 S709 L710	D703-V706 PolarHBondContact O-N 2.94Å; A704-V706 PolarHBondContact O-N 3.47Å; V706-S709 PolarHBondContact O-N 2.92Å; V706-S709 PolarHBondContact O-OG 3.31Å; V706-L710 PolarHBondContact O-N 3.19Å
707	K	45.2	Very low	40.3	Very low	23 Å²	23	73.4 Å²	73.4	10%	0.1	38%	0.381	C	S	.	.	H	α-helix	trans	-82.2	-29.4	171.3	-59	-174.7	-169.6	171.6	0	111	F683 G690 W691 E693 A704 S709 S711	F683-K707 HydrophobicContact CD1-CB 3.89Å; F683-K707 HydrophobicContact CD1-CD 4.26Å; F683-K707 HydrophobicContact CD2-CB 4.5Å; F683-K707 HydrophobicContact CD2-CD 4.35Å; F683-K707 HydrophobicContact CE1-CB 3.97Å; F683-K707 HydrophobicContact CE1-CD 3.54Å; F683-K707 HydrophobicContact CE1-CG 4.42Å; F683-K707 HydrophobicContact CE2-CD 3.63Å; F683-K707 HydrophobicContact CG-CB 4.21Å; F683-K707 HydrophobicContact CZ-CB 4.34Å; F683-K707 HydrophobicContact CZ-CD 3.21Å; F683-K707 HydrophobicContact CZ-CG 4.39Å; G690-K707 PolarHBondContact O-NZ 3.23Å; W691-K707 WeakPolarHBondContact O-CE 3.36Å; W691-K707 PolarHBondContact O-NZ 3.29Å; E693-K707 WeakPolarHBondContact OE1-CD 3.49Å; E693-K707 IonicContact OE1-NZ 2.73Å; E693-K707 PolarHBondContact OE1-NZ 3.1Å; A704-K707 PolarHBondContact O-N 2.88Å; A704-K707 VanDerWaalsContact O-N 3.09Å; K707-S709 VanDerWaalsContact C-N 3.32Å; K707-S711 PolarHBondContact O-OG 3.01Å
708	L	43.7	Very low	40.9	Very low	47 Å²	47	66.2 Å²	66.2	25%	0.246	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-40	157.9	-61	171.1	0	0	0	110	A704 S705 L710 S711 Q712	A704-L708 HydrophobicContact CB-CD1 4.26Å; A704-L708 VanDerWaalsContact O-CB 3.32Å; A704-L708 WeakPolarHBondContact O-CB 3.14Å; A704-L708 WeakPolarHBondContact O-CG 3.4Å; A704-L708 PolarHBondContact O-N 3.38Å; S705-L708 CarbonylContact O-C 3.51Å; L708-L710 PolarHBondContact O-N 2.85Å; L708-S711 CarbonylContact O-C 3.57Å; L708-S711 VanDerWaalsContact O-CA 3.25Å; L708-S711 WeakPolarHBondContact O-CA 3.5Å; L708-S711 PolarHBondContact O-N 2.83Å; L708-S711 PolarHBondContact O-OG 3.45Å; L708-Q712 WeakPolarHBondContact O-CA 3.35Å; L708-Q712 WeakPolarHBondContact O-CB 3.43Å; L708-Q712 PolarHBondContact O-N 3.06Å
709	S	44.4	Very low	41.2	Very low	58 Å²	58	61.3 Å²	61.3	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-40.7	-179.1	86.4	0	0	0	0	113.8	S705 V706 K707 S711 Q712 P713	S705-S709 WeakPolarHBondContact O-CA 3.32Å; S705-S709 VanDerWaalsContact O-CB 3.23Å; S705-S709 WeakPolarHBondContact O-CB 3.32Å; S705-S709 PolarHBondContact O-N 3.16Å; V706-S709 PolarHBondContact O-N 2.92Å; V706-S709 PolarHBondContact O-OG 3.31Å; K707-S709 VanDerWaalsContact C-N 3.32Å; S709-S711 PolarHBondContact O-N 3.48Å; S709-S711 VanDerWaalsContact O-N 3.11Å; S709-Q712 WeakPolarHBondContact O-CB 3.32Å; S709-Q712 PolarHBondContact O-N 3.28Å; S709-P713 WeakPolarHBondContact O-CD 3.48Å
710	L	41.2	Very low	41.2	Very low	115 Å²	115	63 Å²	63	60%	0.602	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	170.6	-67.6	172	0	0	0	113.7	V588 V706 L708	V588-L710 WeakPolarHBondContact CG1-O 3.41Å; V588-L710 WeakPolarHBondContact CG2-O 3.48Å; V706-L710 PolarHBondContact O-N 3.19Å; L708-L710 PolarHBondContact O-N 2.85Å
711	S	44.6	Very low	41.1	Very low	9 Å²	9	64.4 Å²	64.4	6%	0.063	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	8.4	173.1	49.7	0	0	0	0	113.1	K707 L708 S709 L714 R715	K707-S711 PolarHBondContact O-OG 3.01Å; L708-S711 CarbonylContact O-C 3.57Å; L708-S711 VanDerWaalsContact O-CA 3.25Å; L708-S711 WeakPolarHBondContact O-CA 3.5Å; L708-S711 PolarHBondContact O-N 2.83Å; L708-S711 PolarHBondContact O-OG 3.45Å; S709-S711 PolarHBondContact O-N 3.48Å; S709-S711 VanDerWaalsContact O-N 3.11Å; S711-L714 CarbonylContact O-C 3.44Å; S711-L714 WeakPolarHBondContact O-CB 3.46Å; S711-L714 PolarHBondContact O-N 3.3Å; S711-R715 WeakPolarHBondContact O-CG 3.29Å; S711-R715 PolarHBondContact O-N 3.49Å; S711-R715 PolarHBondContact OG-NE 2.91Å; S711-R715 PolarHBondContact OG-NH2 3.38Å
712	Q	45.7	Very low	40.9	Very low	54 Å²	54	68 Å²	68	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-80.6	-28.9	-174.6	-167.3	76.3	34.4	0	0	112.2	L708 S709 L714 R715 N716	L708-Q712 WeakPolarHBondContact O-CA 3.35Å; L708-Q712 WeakPolarHBondContact O-CB 3.43Å; L708-Q712 PolarHBondContact O-N 3.06Å; S709-Q712 WeakPolarHBondContact O-CB 3.32Å; S709-Q712 PolarHBondContact O-N 3.28Å; Q712-L714 PolarHBondContact O-N 3.36Å; Q712-R715 PolarHBondContact O-N 3Å; Q712-N716 WeakPolarHBondContact CG-OD1 3.38Å; Q712-N716 PolarHBondContact NE2-OD1 2.93Å; Q712-N716 WeakPolarHBondContact O-CB 3.48Å; Q712-N716 PolarHBondContact O-N 3.38Å; Q712-N716 PolarHBondContact O-ND2 3Å; Q712-N716 PolarHBondContact O-OD1 2.92Å
713	P	41.4	Very low	40.4	Very low	52 Å²	52	71 Å²	71	34%	0.338	38%	0.378	S	S	.	.	H	α-helix	trans	-50.8	-46	160.8	-29.6	36.9	0	0	0	111.8	L592 S709 L717	L592-P713 HydrophobicContact CD2-CB 4.2Å; L592-P713 HydrophobicContact CD2-CG 4Å; S709-P713 WeakPolarHBondContact O-CD 3.48Å; P713-L717 WeakPolarHBondContact O-CD1 3.45Å; P713-L717 VanDerWaalsContact O-CG 3.23Å; P713-L717 WeakPolarHBondContact O-CG 3.2Å
714	L	42.6	Very low	39.8	Very low	6 Å²	6	75 Å²	75	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-68.2	-43.1	175.3	-73.4	163.8	0	0	0	112.6	A591 F677 L678 S711 Q712 L717 F718	A591-L714 HydrophobicContact CB-CD1 3.96Å; A591-L714 HydrophobicContact CB-CD2 3.83Å; A591-L714 HydrophobicContact CB-CG 3.9Å; F677-L714 HydrophobicContact CD1-CD1 4.07Å; F677-L714 HydrophobicContact CD1-CD2 3.98Å; F677-L714 HydrophobicContact CE1-CD1 4.19Å; F677-L714 HydrophobicContact CE1-CD2 4Å; L678-L714 HydrophobicContact CD1-CD1 4.41Å; S711-L714 CarbonylContact O-C 3.44Å; S711-L714 WeakPolarHBondContact O-CB 3.46Å; S711-L714 PolarHBondContact O-N 3.3Å; Q712-L714 PolarHBondContact O-N 3.36Å; L714-L717 WeakPolarHBondContact O-CB 3.33Å; L714-L717 PolarHBondContact O-N 3.45Å; L714-F718 HydrophobicContact CB-CE2 4.34Å; L714-F718 HydrophobicContact CD2-CE2 4.17Å; L714-F718 HydrophobicContact CD2-CZ 4.5Å; L714-F718 WeakPolarHBondContact O-CD2 3.42Å; L714-F718 PolarHBondContact O-N 2.93Å
715	R	46.8	Very low	39	Very low	42 Å²	42	77.9 Å²	77.9	16%	0.158	42%	0.416	C	S	.	.	H	α-helix	trans	-63.3	-44.2	177.5	-64.7	164.4	-159.6	-64.8	-10.2	111.7	A674 E682 S711 Q712 L717 F718 E719	A674-R715 HydrophobicContact CB-CG 4.44Å; E682-R715 IonicContact OE1-CZ 3.46Å; E682-R715 IonicContact OE1-NH1 2.71Å; E682-R715 PolarHBondContact OE1-NH1 3.17Å; E682-R715 IonicContact OE1-NH2 3.58Å; E682-R715 PolarHBondContact OE1-NH2 2.96Å; S711-R715 WeakPolarHBondContact O-CG 3.29Å; S711-R715 PolarHBondContact O-N 3.49Å; S711-R715 PolarHBondContact OG-NE 2.91Å; S711-R715 PolarHBondContact OG-NH2 3.38Å; Q712-R715 PolarHBondContact O-N 3Å; R715-L717 PolarHBondContact O-N 2.88Å; R715-F718 CarbonylContact O-C 3.56Å; R715-F718 PolarHBondContact O-N 3.08Å; R715-E719 WeakPolarHBondContact O-CG 3.17Å; R715-E719 PolarHBondContact O-N 2.9Å
716	N	47.8	Very low	38.2	Very low	62 Å²	62	83.7 Å²	83.7	33%	0.332	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-2.7	176.3	-64.8	-6.6	0	0	0	114.1	R598 Q712	R598-N716 PolarHBondContact NH1-O 3.47Å; Q712-N716 WeakPolarHBondContact CG-OD1 3.38Å; Q712-N716 PolarHBondContact NE2-OD1 2.93Å; Q712-N716 WeakPolarHBondContact O-CB 3.48Å; Q712-N716 PolarHBondContact O-N 3.38Å; Q712-N716 PolarHBondContact O-ND2 3Å; Q712-N716 PolarHBondContact O-OD1 2.92Å
717	L	41.7	Very low	37.7	Very low	64 Å²	64	85.5 Å²	85.5	34%	0.335	45%	0.453	S	S	.	.	H	α-helix	trans	-104.3	-21.5	173.3	-69.6	160	0	0	0	112.7	F595 P713 L714 R715	F595-L717 HydrophobicContact CD1-CD1 3.74Å; F595-L717 HydrophobicContact CD1-CD2 3.69Å; F595-L717 HydrophobicContact CD1-CG 4.39Å; F595-L717 HydrophobicContact CD2-CD1 3.3Å; F595-L717 HydrophobicContact CE1-CD1 3.72Å; F595-L717 HydrophobicContact CE1-CD2 3.74Å; F595-L717 HydrophobicContact CE1-CG 4.37Å; F595-L717 HydrophobicContact CE2-CD1 3.31Å; F595-L717 HydrophobicContact CG-CD1 3.55Å; F595-L717 HydrophobicContact CG-CD2 4.24Å; F595-L717 HydrophobicContact CZ-CD1 3.54Å; F595-L717 HydrophobicContact CZ-CD2 4.33Å; P713-L717 WeakPolarHBondContact O-CD1 3.45Å; P713-L717 VanDerWaalsContact O-CG 3.23Å; P713-L717 WeakPolarHBondContact O-CG 3.2Å; L714-L717 WeakPolarHBondContact O-CB 3.33Å; L714-L717 PolarHBondContact O-N 3.45Å; R715-L717 PolarHBondContact O-N 2.88Å
718	F	44	Very low	36.9	Very low	43 Å²	43	93.2 Å²	93.2	19%	0.189	49%	0.489	C	S	.	.	H	α-helix	trans	-106.7	-11.1	177.8	-52.8	-49.4	0	0	0	112.7	L671 A674 F677 L714 R715	L671-F718 HydrophobicContact CB-CD1 4.22Å; L671-F718 HydrophobicContact CB-CE1 3.74Å; L671-F718 HydrophobicContact CB-CZ 4.1Å; L671-F718 HydrophobicContact CD1-CE1 4.44Å; L671-F718 HydrophobicContact CD1-CZ 4.2Å; L671-F718 WeakPolarHBondContact O-CD1 3.19Å; A674-F718 HydrophobicContact CB-CD2 4.43Å; F677-F718 HydrophobicContact CB-CE2 4.47Å; L714-F718 HydrophobicContact CB-CE2 4.34Å; L714-F718 HydrophobicContact CD2-CE2 4.17Å; L714-F718 HydrophobicContact CD2-CZ 4.5Å; L714-F718 WeakPolarHBondContact O-CD2 3.42Å; L714-F718 PolarHBondContact O-N 2.93Å; R715-F718 CarbonylContact O-C 3.56Å; R715-F718 PolarHBondContact O-N 3.08Å
719	E	40.7	Very low	36.1	Very low	118 Å²	118	96 Å²	96	55%	0.551	51%	0.513	S	S	*	.	S	Bend	trans	-69.7	124.8	168	-81.4	-178.2	164.8	0	0	111	R715	R715-E719 WeakPolarHBondContact O-CG 3.17Å; R715-E719 PolarHBondContact O-N 2.9Å
720	P	30.6	Very low	35.3	Very low	115 Å²	115	99.5 Å²	99.5	75%	0.747	53%	0.532	S	S	*	.			trans	-68.6	136.1	178	28	-34.1	0	0	0	110.9	Q722	P720-Q722 PolarHBondContact O-N 3.08Å
721	Y	30.4	Very low	34.7	Very low	195 Å²	195	100.1 Å²	100.1	77%	0.765	54%	0.54	S	S	*	.			trans	-59.1	95.3	178	-109.9	-94.1	0	0	0	111.5	V723	Y721-V723 VanDerWaalsContact C-N 3.35Å; Y721-V723 HydrophobicContact CD1-CG2 4.22Å; Y721-V723 PolarHBondContact O-N 2.92Å
722	Q	28.6	Very low	33.9	Very low	165 Å²	165	104.3 Å²	104.3	77%	0.771	57%	0.57	S	S	*	*			trans	-74.1	92.8	162.7	-75.2	-162.3	-5.1	0	0	109	P720 N724	P720-Q722 PolarHBondContact O-N 3.08Å; Q722-N724 PolarHBondContact O-N 2.91Å
723	V	27.6	Very low	32.9	Very low	104 Å²	104	107.3 Å²	107.3	63%	0.63	59%	0.592	S	S	*	*			trans	-73.3	75	176.1	-172.9	0	0	0	0	109.7	Y721 C725	Y721-V723 VanDerWaalsContact C-N 3.35Å; Y721-V723 HydrophobicContact CD1-CG2 4.22Å; Y721-V723 PolarHBondContact O-N 2.92Å; V723-C725 PolarHBondContact O-N 3.34Å
724	N	26.2	Very low	32.2	Very low	138 Å²	138	113.5 Å²	113.5	74%	0.738	62%	0.616	S	S	*	*			trans	-74.6	82.3	166.7	-78.3	-14.9	0	0	0	109	Q722 L726	Q722-N724 PolarHBondContact O-N 2.91Å; N724-L726 PolarHBondContact O-N 2.95Å
725	C	25.8	Very low	31.3	Very low	92 Å²	92	118 Å²	118	62%	0.622	65%	0.648	S	S	*	*			trans	-55.9	123.1	169.9	-78.4	0	0	0	0	110.3	V723 T727	V723-C725 PolarHBondContact O-N 3.34Å; C725-T727 VanDerWaalsContact C-N 3.29Å; C725-T727 PolarHBondContact O-N 3.12Å
726	L	24.4	Very low	30.2	Very low	183 Å²	183	125 Å²	125	96%	0.958	68%	0.682	S	S	*	*			trans	-76.1	80.6	171.2	-74.3	167.1	0	0	0	109.7	N724	N724-L726 PolarHBondContact O-N 2.95Å
727	T	29	Very low	29.1	Very low	111 Å²	111	127.4 Å²	127.4	68%	0.681	70%	0.703	S	S	*	*			trans	-128.8	93.9	174.8	50.5	0	0	0	0	112	C725	C725-T727 VanDerWaalsContact C-N 3.29Å; C725-T727 PolarHBondContact O-N 3.12Å
728	E	27.2	Very low	28.3	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.864	72%	0.718	S	S	*	*			trans	68.1	145.2	141.4	-54.8	-170.7	143.4	0	0	122.2
729	S	28.2	Very low	27.5	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	75%	0.746	S	S	*	*			trans	77.2	98.5	161.7	70.8	0	0	0	0	120.2
730	T	26.8	Very low	26.8	Very low	130 Å²	130	139.6 Å²	139.6	80%	0.798	76%	0.757	S	S	*	*				42	122.8	125.7	61.7	0	0	0	0	118.9
731	V	28.9	Very low	26.7	Very low	128 Å²	128	140.9 Å²	140.9	78%	0.776	75%	0.752	S	S	*	*				-171.3	144.9	74.9	154.2	0	0	0	0	110.1
732	S	26.6	Very low	26.5	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	75%	0.746	S	S	*	*			trans	5.1	144.3	163.9	71.2	0	0	0	0	121.2
733	T	25.8	Very low	26.3	Very low	116 Å²	116	136.4 Å²	136.4	71%	0.712	74%	0.74	S	S	*	*			cis	-165.9	157.5	28.2	-21.2	0	0	0	0	111.8
734	Q	26.2	Very low	26.4	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	75%	0.753	S	S	*	*			trans	65.3	136.2	167.5	-58	174.1	-3.2	0	0	116.6
735	S	24.4	Very low	26.5	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	74%	0.744	S	S	*	*			cis	-164.3	116.8	-18.3	50.1	0	0	0	0	109.6
736	H	23.9	Very low	26.6	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.875	75%	0.749	S	S	*	*			trans	-158.5	152.7	172.3	-108.7	-80.6	0	0	0	111.1
737	C	23.5	Very low	26.8	Very low	113 Å²	113	137.4 Å²	137.4	76%	0.764	74%	0.741	S	S	*	*			trans	66.2	152.1	173.8	-65.3	0	0	0	0	115.3
738	T	25.6	Very low	26.9	Very low	107 Å²	107	140 Å²	140	66%	0.656	75%	0.75	S	S	*	*			cis	-156.8	166.8	-2.2	4	0	0	0	0	109.6
739	H	26.6	Very low	26.9	Very low	166 Å²	166	137.1 Å²	137.1	77%	0.769	75%	0.745	S	S	*	*				145.7	160.2	124.2	-85.3	-74.6	0	0	0	115.9
740	R	25.9	Very low	27	Very low	207 Å²	207	137 Å²	137	78%	0.781	74%	0.744	S	S	*	*			trans	85	135.7	167.1	-54	-162.8	151.3	159	-3	114.9
741	H	28.3	Very low	27.1	Very low	142 Å²	142	138 Å²	138	66%	0.657	74%	0.744	S	S	*	*			cis	-169.4	171.7	-6.4	-102.1	170.9	0	0	0	106
742	Q	27.1	Very low	27	Very low	137 Å²	137	136.6 Å²	136.6	64%	0.64	74%	0.74	S	S	*	*			cis	-170.9	146.5	-23.9	-178.8	70.5	12.5	0	0	105.7
743	M	25	Very low	27	Very low	130 Å²	130	136.6 Å²	136.6	64%	0.64	74%	0.74	S	S	*	*			trans	6.4	137.4	163.3	-57.1	164.4	69.8	0	0	120.8	I745	M743-I745 HydrophobicContact CE-CD1 3.94Å; M743-I745 HydrophobicContact CE-CG1 4.22Å
744	V	29.5	Very low	27.2	Very low	147 Å²	147	137.9 Å²	137.9	89%	0.891	75%	0.748	S	S	*	*				-132.1	145.1	113.1	179.4	0	0	0	0	107.8
745	I	28	Very low	27.2	Very low	111 Å²	111	137.6 Å²	137.6	57%	0.569	75%	0.752	S	S	*	*			trans	-125.5	162.4	172.6	-38.9	178	0	0	0	107	M743	M743-I745 HydrophobicContact CE-CD1 3.94Å; M743-I745 HydrophobicContact CE-CG1 4.22Å
746	D	27.4	Very low	27.4	Very low	135 Å²	135	136.2 Å²	136.2	72%	0.722	75%	0.753	S	S	*	*			trans	126.3	150.9	140.7	-62.2	-40.9	0	0	0	116.7
747	D	27.9	Very low	27.5	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	76%	0.756	S	S	*	*			trans	60.9	110.5	157.6	-70.8	-6.8	0	0	0	118.9
748	L	31.1	Very low	27.9	Very low	166 Å²	166	140.8 Å²	140.8	87%	0.869	76%	0.758	S	S	*	*				-157.3	148	56.6	-104.6	151.2	0	0	0	115.2
749	T	27	Very low	27.9	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	77%	0.767	S	S	*	*			trans	-100.6	149.2	178.6	53.3	0	0	0	0	113.6
750	S	31.2	Very low	27.9	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	77%	0.769	S	S	*	*				175.4	126.4	123.5	60.5	0	0	0	0	114.1
751	D	28.1	Very low	27.9	Very low	151 Å²	151	141 Å²	141	81%	0.807	77%	0.772	S	S	*	*				33.1	145.7	124.2	-57.9	-15.3	0	0	0	122.1
752	S	27.3	Very low	27.7	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	78%	0.781	S	S	*	*			cis	-169.2	159.5	-11.6	52.6	0	0	0	0	111.4
753	S	26.6	Very low	27.6	Very low	98 Å²	98	147 Å²	147	69%	0.685	79%	0.79	S	S	*	*			trans	32.8	126.1	156	65.1	0	0	0	0	121.7
754	T	29.9	Very low	27.5	Very low	143 Å²	143	146 Å²	146	88%	0.877	80%	0.795	S	S	*	*				-176.2	158	100	26.9	0	0	0	0	112.7
755	N	26.4	Very low	27.3	Very low	177 Å²	177	146.8 Å²	146.8	95%	0.947	79%	0.793	S	S	*	*			trans	-72	128.8	-175.1	-73.1	-54.7	0	0	0	113.4
756	G	28.5	Very low	27.1	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	80%	0.801	S	S	*	*			trans	-147.9	81.8	175.8	0	0	0	0	0	113.5	K758	G756-K758 PolarHBondContact O-N 2.9Å; G756-K758 VanDerWaalsContact O-N 3.1Å
757	K	27.4	Very low	27.1	Very low	213 Å²	213	146 Å²	146	93%	0.926	79%	0.793	S	S	*	*			trans	-57.8	112.1	177.3	-73.4	-175.9	175	-176.4	0	111.6
758	K	30.3	Very low	27.2	Very low	186 Å²	186	142.1 Å²	142.1	81%	0.809	78%	0.777	S	S	*	*			trans	-138.5	119	162.7	-75.7	-171.7	177.1	177.2	0	110.2	G756 T760	G756-K758 PolarHBondContact O-N 2.9Å; G756-K758 VanDerWaalsContact O-N 3.1Å; K758-T760 PolarHBondContact O-N 3.11Å
759	N	25.3	Very low	27.2	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	76%	0.755	S	S	*	*			trans	-64.8	116.3	170.4	-64.1	-0.8	0	0	0	108.8
760	T	27.8	Very low	27.3	Very low	132 Å²	132	137.7 Å²	137.7	81%	0.81	74%	0.741	S	S	*	*			trans	-106.8	114	167.6	13.7	0	0	0	0	109.3	K758 Y762	K758-T760 PolarHBondContact O-N 3.11Å; T760-Y762 PolarHBondContact O-N 2.89Å
761	F	24.9	Very low	27.3	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.842	73%	0.727	S	S	*	*			trans	-50.9	129.9	-178.1	-69.9	-108.3	0	0	0	111.9	K763	F761-K763 VanDerWaalsContact C-N 3.27Å; F761-K763 PolarHBondContact O-N 3.12Å
762	Y	24.7	Very low	27.7	Very low	215 Å²	215	133 Å²	133	84%	0.843	70%	0.703	S	S	*	*			trans	-62.1	96.2	155.3	-87.7	-84.7	0	0	0	108.1	T760 C764	T760-Y762 PolarHBondContact O-N 2.89Å; Y762-C764 VanDerWaalsContact C-N 3.32Å; Y762-C764 PolarHBondContact O-N 2.86Å
763	K	24.4	Very low	28.3	Very low	192 Å²	192	130 Å²	130	84%	0.835	68%	0.68	S	S	*	*			trans	-69.3	92.4	176.5	-174.2	-177.6	-179.1	-174.1	0	107.6	F761 L765	F761-K763 VanDerWaalsContact C-N 3.27Å; F761-K763 PolarHBondContact O-N 3.12Å; K763-L765 PolarHBondContact O-N 3.43Å; K763-L765 VanDerWaalsContact O-N 3.12Å
764	C	24.7	Very low	28.9	Very low	109 Å²	109	125.4 Å²	125.4	74%	0.736	65%	0.647	S	S	*	*			trans	-45	120.6	176.5	-171.5	0	0	0	0	109.4	Y762 I766	Y762-C764 VanDerWaalsContact C-N 3.32Å; Y762-C764 PolarHBondContact O-N 2.86Å; C764-I766 VanDerWaalsContact C-N 3.29Å; C764-I766 PolarHBondContact O-N 2.91Å
765	L	25.1	Very low	29.4	Very low	163 Å²	163	120.6 Å²	120.6	85%	0.853	62%	0.616	S	S	*	*			trans	-71.1	90.5	-179.8	-77.7	167	0	0	0	108.1	K763 P767	K763-L765 PolarHBondContact O-N 3.43Å; K763-L765 VanDerWaalsContact O-N 3.12Å; L765-P767 VanDerWaalsContact O-CD 3.25Å; L765-P767 WeakPolarHBondContact O-CD 3.46Å
766	I	23.8	Very low	30	Very low	145 Å²	145	116.5 Å²	116.5	74%	0.744	59%	0.593	S	S	*	*			trans	-55.9	117.7	165.3	-59.7	172.2	0	0	0	106.1	C764 S768	C764-I766 VanDerWaalsContact C-N 3.29Å; C764-I766 PolarHBondContact O-N 2.91Å; I766-S768 PolarHBondContact O-N 3.38Å
767	P	26.8	Very low	30.7	Very low	83 Å²	83	113.4 Å²	113.4	54%	0.539	56%	0.561	S	S	.	*			trans	-59.9	112.6	174.3	-22.3	34.6	0	0	0	108	L765	L765-P767 VanDerWaalsContact O-CD 3.25Å; L765-P767 WeakPolarHBondContact O-CD 3.46Å
768	S	29.6	Very low	31.3	Very low	64 Å²	64	106.8 Å²	106.8	45%	0.448	54%	0.54	S	S	.	.			trans	-65.1	138.1	-179.6	58.6	0	0	0	0	109.1	I766 Y770 E771	I766-S768 PolarHBondContact O-N 3.38Å; S768-Y770 PolarHBondContact O-N 3.46Å; S768-E771 PolarHBondContact O-N 2.94Å; S768-E771 VanDerWaalsContact O-N 3.11Å
769	D	30.6	Very low	32.3	Very low	78 Å²	78	98.5 Å²	98.5	42%	0.417	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-54.6	-25.3	-163.5	-73	-83.9	0	0	0	115.2	N424 E771 Q772	N424-D769 PolarHBondContact ND2-OD1 3.34Å; D769-E771 PolarHBondContact O-N 3.45Å; D769-E771 VanDerWaalsContact O-N 3.08Å; D769-Q772 WeakPolarHBondContact O-CB 3.32Å; D769-Q772 PolarHBondContact O-N 3.37Å; D769-Q772 PolarHBondContact OD1-NE2 3.21Å
770	Y	29.6	Very low	33.3	Very low	119 Å²	119	91.5 Å²	91.5	47%	0.467	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-45.2	-32.2	171.2	-52	-89.1	0	0	0	116.3	S768 Q772	S768-Y770 PolarHBondContact O-N 3.46Å; Y770-Q772 VanDerWaalsContact C-N 3.26Å; Y770-Q772 PolarHBondContact O-N 3.12Å
771	E	32.1	Very low	34.2	Very low	93 Å²	93	89 Å²	89	44%	0.435	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-70	-23.5	178	-69.1	-172.8	155.7	0	0	112.8	S768 D769 D773 G774	S768-E771 PolarHBondContact O-N 2.94Å; S768-E771 VanDerWaalsContact O-N 3.11Å; D769-E771 PolarHBondContact O-N 3.45Å; D769-E771 VanDerWaalsContact O-N 3.08Å; E771-D773 VanDerWaalsContact C-N 3.29Å; E771-D773 PolarHBondContact O-N 3.39Å; E771-G774 PolarHBondContact O-N 3.32Å
772	Q	36	Very low	35	Very low	64 Å²	64	80.1 Å²	80.1	30%	0.299	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-72.3	-18.8	-172.2	-71.4	167.8	67.8	0	0	113.6	N424 R627 D769 Y770	N424-Q772 VanDerWaalsContact ND2-CD 3.27Å; N424-Q772 PolarHBondContact ND2-NE2 2.82Å; N424-Q772 PolarHBondContact ND2-OE1 3.39Å; R627-Q772 PolarHBondContact NH1-O 3.04Å; D769-Q772 WeakPolarHBondContact O-CB 3.32Å; D769-Q772 PolarHBondContact O-N 3.37Å; D769-Q772 PolarHBondContact OD1-NE2 3.21Å; Y770-Q772 VanDerWaalsContact C-N 3.26Å; Y770-Q772 PolarHBondContact O-N 3.12Å
773	D	39.7	Very low	35.8	Very low	36 Å²	36	72.2 Å²	72.2	19%	0.193	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-84.2	-12.1	179.7	-66.8	-47	0	0	0	113.7	R627 E771 L775	R627-D773 VanDerWaalsContact CZ-O 3.24Å; R627-D773 PolarHBondContact NH1-O 3.27Å; R627-D773 PolarHBondContact NH2-O 3.29Å; E771-D773 VanDerWaalsContact C-N 3.29Å; E771-D773 PolarHBondContact O-N 3.39Å; D773-L775 VanDerWaalsContact C-N 3.29Å; D773-L775 PolarHBondContact O-N 3.46Å
774	G	39.1	Very low	36.7	Very low	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	83.2	-5.5	163.6	0	0	0	0	0	116.2	Y623 E771 S777 L780	Y623-G774 WeakPolarHBondContact OH-CA 3.35Å; E771-G774 PolarHBondContact O-N 3.32Å; G774-S777 WeakPolarHBondContact O-CB 3.47Å; G774-S777 PolarHBondContact O-N 2.76Å; G774-L780 WeakPolarHBondContact O-CD1 3.35Å
775	L	39.7	Very low	37.3	Very low	42 Å²	42	60.3 Å²	60.3	22%	0.22	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.5	165.8	-61.7	108.5	0	0	0	112.2	P411 F417 T513 D773 L780	P411-L775 VanDerWaalsContact O-CD2 3.25Å; P411-L775 WeakPolarHBondContact O-CD2 3.28Å; F417-L775 HydrophobicContact CB-CB 4.3Å; F417-L775 HydrophobicContact CB-CD1 3.86Å; F417-L775 HydrophobicContact CB-CD2 3.77Å; F417-L775 HydrophobicContact CB-CG 4.15Å; F417-L775 HydrophobicContact CD1-CD1 3.33Å; F417-L775 HydrophobicContact CD1-CD2 3.8Å; F417-L775 HydrophobicContact CD1-CG 4.16Å; F417-L775 HydrophobicContact CD2-CD1 4.38Å; F417-L775 HydrophobicContact CD2-CD2 3.23Å; F417-L775 HydrophobicContact CD2-CG 4.36Å; F417-L775 HydrophobicContact CE1-CD1 3.86Å; F417-L775 HydrophobicContact CE1-CD2 4.13Å; F417-L775 HydrophobicContact CE2-CD2 3.63Å; F417-L775 HydrophobicContact CG-CD1 3.63Å; F417-L775 HydrophobicContact CG-CD2 3.33Å; F417-L775 HydrophobicContact CG-CG 4Å; F417-L775 HydrophobicContact CZ-CD2 4.07Å; T513-L775 HydrophobicContact CG2-CD2 3.95Å; T513-L775 HydrophobicContact CG2-CG 4.01Å; D773-L775 VanDerWaalsContact C-N 3.29Å; D773-L775 PolarHBondContact O-N 3.46Å; L775-L780 VanDerWaalsContact O-CD1 3.23Å; L775-L780 WeakPolarHBondContact O-CD1 3.44Å
776	L	40.2	Very low	38	Very low	91 Å²	91	59.6 Å²	59.6	48%	0.476	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	32.4	161.5	-61.4	174	0	0	0	110.5
777	S	43	Very low	38.4	Very low	5 Å²	5	54.4 Å²	54.4	4%	0.035	28%	0.282	C	S	.	.			trans	-60.1	128	169.9	176.2	0	0	0	0	109	G516 G774 F779 L780	G516-S777 WeakPolarHBondContact CA-OG 3.48Å; G516-S777 PolarHBondContact O-OG 2.89Å; G774-S777 WeakPolarHBondContact O-CB 3.47Å; G774-S777 PolarHBondContact O-N 2.76Å; S777-F779 PolarHBondContact O-N 3.21Å; S777-F779 WeakPolarHBondContact OG-CD2 3.31Å; S777-L780 PolarHBondContact O-N 3.08Å; S777-L780 VanDerWaalsContact O-N 3.07Å
778	P	41	Very low	38.8	Very low	75 Å²	75	53 Å²	53	49%	0.487	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.1	-178.4	26.5	-34.5	0	0	0	113.5
779	F	49.4	Very low	39	Very low	12 Å²	12	56 Å²	56	5%	0.053	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-15.1	176.5	-46.9	-65.1	0	0	0	114.3	G516 P518 F615 S619 W620 Y623 S777 N781 T782	G516-F779 WeakPolarHBondContact O-CB 3.44Å; P518-F779 WeakPolarHBondContact CA-O 3.37Å; F615-F779 HydrophobicContact CD2-CB 3.94Å; F615-F779 HydrophobicContact CD2-CD1 4.08Å; F615-F779 HydrophobicContact CD2-CG 4.18Å; F615-F779 HydrophobicContact CE2-CB 3.9Å; F615-F779 HydrophobicContact CE2-CD1 4.24Å; F615-F779 HydrophobicContact CE2-CG 4.01Å; S619-F779 VanDerWaalsContact CB-CZ 3.44Å; S619-F779 WeakPolarHBondContact O-CZ 3.38Å; W620-F779 HydrophobicContact CB-CD2 4.13Å; W620-F779 HydrophobicContact CB-CE2 4.09Å; W620-F779 HydrophobicContact CB-CG 4.43Å; W620-F779 HydrophobicContact CB-CZ 4.33Å; W620-F779 AromaticContact CD1-CD2 3.88Å; W620-F779 HydrophobicContact CG-CD2 4.44Å; Y623-F779 HydrophobicContact CD1-CD2 4.46Å; Y623-F779 HydrophobicContact CD1-CE2 4.38Å; Y623-F779 HydrophobicContact CG-CE2 4.09Å; S777-F779 PolarHBondContact O-N 3.21Å; S777-F779 WeakPolarHBondContact OG-CD2 3.31Å; F779-N781 VanDerWaalsContact C-N 3.29Å; F779-N781 PolarHBondContact O-N 2.89Å; F779-T782 VanDerWaalsContact CA-OG1 3.32Å; F779-T782 WeakPolarHBondContact CA-OG1 3.34Å; F779-T782 HydrophobicContact CD1-CG2 4.47Å; F779-T782 PolarHBondContact O-N 3.16Å; F779-T782 PolarHBondContact O-OG1 2.9Å
780	L	47.4	Very low	39.1	Very low	11 Å²	11	58.3 Å²	58.3	6%	0.058	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-48.3	178.7	-82.8	163.7	0	0	0	110.8	L412 T513 V519 G774 L775 S777 T782	L412-L780 HydrophobicContact CD2-CD2 3.78Å; T513-L780 HydrophobicContact CG2-CD2 4.38Å; V519-L780 VanDerWaalsContact CG2-O 3.3Å; V519-L780 WeakPolarHBondContact CG2-O 3.24Å; V519-L780 PolarHBondContact N-O 3.39Å; V519-L780 VanDerWaalsContact N-O 3.09Å; G774-L780 WeakPolarHBondContact O-CD1 3.35Å; L775-L780 VanDerWaalsContact O-CD1 3.23Å; L775-L780 WeakPolarHBondContact O-CD1 3.44Å; S777-L780 PolarHBondContact O-N 3.08Å; S777-L780 VanDerWaalsContact O-N 3.07Å; L780-T782 VanDerWaalsContact C-N 3.29Å; L780-T782 PolarHBondContact O-N 3.3Å
781	N	46.8	Very low	39.4	Very low	79 Å²	79	54.7 Å²	54.7	42%	0.422	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.2	177.7	-65.9	-11	0	0	0	113.9	Y611 F779 Q783	Y611-N781 CarbonylContact C-O 3.43Å; Y611-N781 WeakPolarHBondContact CA-O 3.33Å; Y611-N781 HydrophobicContact CD1-CB 4.01Å; Y611-N781 HydrophobicContact CE1-CB 4.41Å; Y611-N781 VanDerWaalsContact O-O 3.08Å; F779-N781 VanDerWaalsContact C-N 3.29Å; F779-N781 PolarHBondContact O-N 2.89Å; N781-Q783 PolarHBondContact O-N 3.49Å; N781-Q783 VanDerWaalsContact O-N 3.12Å
782	T	40.5	Very low	39.5	Very low	6 Å²	6	57.1 Å²	57.1	4%	0.037	30%	0.297	C	S	.	.			trans	-75.9	102.6	173.2	58.3	0	0	0	0	109.2	P518 R613 F779 L780	P518-T782 WeakPolarHBondContact CB-O 3.31Å; R613-T782 HydrophobicContact CB-CG2 3.98Å; R613-T782 WeakPolarHBondContact O-CA 3.29Å; R613-T782 WeakPolarHBondContact O-CB 3.29Å; R613-T782 VanDerWaalsContact O-CG2 3.31Å; R613-T782 WeakPolarHBondContact O-CG2 3.41Å; F779-T782 VanDerWaalsContact CA-OG1 3.32Å; F779-T782 WeakPolarHBondContact CA-OG1 3.34Å; F779-T782 HydrophobicContact CD1-CG2 4.47Å; F779-T782 PolarHBondContact O-N 3.16Å; F779-T782 PolarHBondContact O-OG1 2.9Å; L780-T782 VanDerWaalsContact C-N 3.29Å; L780-T782 PolarHBondContact O-N 3.3Å
783	Q	43.3	Very low	39.5	Very low	49 Å²	49	58 Å²	58	23%	0.229	30%	0.304	C	S	.	.			trans	-78.5	139	177	-59	-173.1	3.4	0	0	109.8	N781 N785	N781-Q783 PolarHBondContact O-N 3.49Å; N781-Q783 VanDerWaalsContact O-N 3.12Å; Q783-N785 HydrophobicContact CB-CB 4.38Å; Q783-N785 WeakPolarHBondContact CB-OD1 3.33Å; Q783-N785 PolarHBondContact O-N 3.3Å; Q783-N785 PolarHBondContact OE1-ND2 3.3Å; Q783-N785 PolarHBondContact OE1-OD1 3.36Å
784	L	42.5	Very low	39.2	Very low	5 Å²	5	62.6 Å²	62.6	3%	0.026	33%	0.333	C	S	.	.			trans	-77.7	39.9	173.8	-58.7	174.4	0	0	0	111.2	P518 V520 F615 F786 L787	P518-L784 HydrophobicContact CB-CD1 4.44Å; P518-L784 HydrophobicContact CB-CG 4.17Å; P518-L784 HydrophobicContact CG-CD2 4.19Å; P518-L784 HydrophobicContact CG-CG 4.25Å; V520-L784 HydrophobicContact CB-CB 4.35Å; V520-L784 HydrophobicContact CB-CD1 4.11Å; V520-L784 HydrophobicContact CB-CG 4.25Å; V520-L784 HydrophobicContact CG1-CB 4.3Å; V520-L784 HydrophobicContact CG1-CD1 4.02Å; V520-L784 HydrophobicContact CG1-CG 4.47Å; V520-L784 HydrophobicContact CG2-CB 4.19Å; V520-L784 HydrophobicContact CG2-CG 4.45Å; F615-L784 HydrophobicContact CB-CD2 3.66Å; F615-L784 HydrophobicContact CG-CD2 4.37Å; L784-F786 HydrophobicContact CB-CE1 4.4Å; L784-F786 HydrophobicContact CD2-CE1 4.04Å; L784-F786 PolarHBondContact O-N 2.82Å; L784-F786 VanDerWaalsContact O-N 3.11Å; L784-L787 HydrophobicContact CB-CD1 3.52Å; L784-L787 HydrophobicContact CB-CG 4.02Å; L784-L787 HydrophobicContact CD1-CD1 3.96Å; L784-L787 HydrophobicContact CG-CD1 4.28Å; L784-L787 WeakPolarHBondContact O-CB 3.43Å; L784-L787 WeakPolarHBondContact O-CG 3.17Å; L784-L787 PolarHBondContact O-N 3.27Å
785	N	37.7	Very low	39	Very low	47 Å²	47	68.3 Å²	68.3	25%	0.251	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-64.5	-21	-168.5	-78.6	-8.7	0	0	0	114.4	Q783 L787 Y788 N789	Q783-N785 HydrophobicContact CB-CB 4.38Å; Q783-N785 WeakPolarHBondContact CB-OD1 3.33Å; Q783-N785 PolarHBondContact O-N 3.3Å; Q783-N785 PolarHBondContact OE1-ND2 3.3Å; Q783-N785 PolarHBondContact OE1-OD1 3.36Å; N785-L787 PolarHBondContact O-N 2.94Å; N785-L787 VanDerWaalsContact O-N 3.12Å; N785-Y788 PolarHBondContact O-N 3.17Å; N785-N789 WeakPolarHBondContact O-CB 3.35Å; N785-N789 PolarHBondContact O-N 3.39Å
786	F	40.3	Very low	38.9	Very low	148 Å²	148	71 Å²	71	65%	0.649	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-61.9	-15.5	170.1	74.6	-82	0	0	0	113.3	L784	L784-F786 HydrophobicContact CB-CE1 4.4Å; L784-F786 HydrophobicContact CD2-CE1 4.04Å; L784-F786 PolarHBondContact O-N 2.82Å; L784-F786 VanDerWaalsContact O-N 3.11Å
787	L	32.2	Very low	38.4	Very low	35 Å²	35	76.4 Å²	76.4	18%	0.183	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-85.3	-22.8	172.1	-49.6	178.8	0	0	0	112.9	W691 L784 N785	W691-L787 HydrophobicContact CD2-CD2 4.29Å; W691-L787 HydrophobicContact CE3-CD2 4.05Å; W691-L787 HydrophobicContact CH2-CB 3.66Å; W691-L787 HydrophobicContact CH2-CD1 3.52Å; W691-L787 HydrophobicContact CH2-CD2 3.52Å; W691-L787 HydrophobicContact CH2-CG 3.73Å; W691-L787 HydrophobicContact CZ2-CD1 3.59Å; W691-L787 HydrophobicContact CZ2-CD2 3.74Å; W691-L787 HydrophobicContact CZ2-CG 4.13Å; W691-L787 HydrophobicContact CZ3-CB 3.93Å; W691-L787 HydrophobicContact CZ3-CD1 4.46Å; W691-L787 HydrophobicContact CZ3-CD2 3.68Å; W691-L787 HydrophobicContact CZ3-CG 4.2Å; L784-L787 HydrophobicContact CB-CD1 3.52Å; L784-L787 HydrophobicContact CB-CG 4.02Å; L784-L787 HydrophobicContact CD1-CD1 3.96Å; L784-L787 HydrophobicContact CG-CD1 4.28Å; L784-L787 WeakPolarHBondContact O-CB 3.43Å; L784-L787 WeakPolarHBondContact O-CG 3.17Å; L784-L787 PolarHBondContact O-N 3.27Å; N785-L787 PolarHBondContact O-N 2.94Å; N785-L787 VanDerWaalsContact O-N 3.12Å
788	Y	34.7	Very low	37.6	Very low	54 Å²	54	82 Å²	82	21%	0.212	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-16.2	-174.4	-63	-57.5	0	0	0	114.4	V520 N785 K790 I819	V520-Y788 HydrophobicContact CG1-CE2 3.78Å; V520-Y788 VanDerWaalsContact CG1-OH 3.3Å; V520-Y788 WeakPolarHBondContact CG1-OH 3.49Å; V520-Y788 HydrophobicContact CG2-CE2 4.15Å; N785-Y788 PolarHBondContact O-N 3.17Å; Y788-K790 PolarHBondContact O-N 2.95Å; Y788-I819 HydrophobicContact CE1-CD1 4.33Å; Y788-I819 HydrophobicContact CE1-CG1 3.82Å
789	N	32.6	Very low	37.1	Very low	127 Å²	127	83.9 Å²	83.9	68%	0.679	43%	0.434	S	S	*	.			trans	-68.5	94.2	-171.7	-165.6	-19.9	0	0	0	112.4	N785 G791	N785-N789 WeakPolarHBondContact O-CB 3.35Å; N785-N789 PolarHBondContact O-N 3.39Å; N789-G791 PolarHBondContact O-N 3.02Å; N789-G791 VanDerWaalsContact OD1-CA 3.29Å; N789-G791 WeakPolarHBondContact OD1-CA 3.29Å; N789-G791 PolarHBondContact OD1-N 2.76Å
790	K	33.4	Very low	36	Very low	127 Å²	127	91 Å²	91	55%	0.552	47%	0.473	S	S	*	.			trans	-82.5	15.8	171.6	-73.2	175.7	178.4	170.1	0	113	I699 I701 Y788	I699-K790 HydrophobicContact CD1-CD 4.26Å; I701-K790 HydrophobicContact CD1-CG 4.39Å; Y788-K790 PolarHBondContact O-N 2.95Å
791	G	36.2	Very low	35.1	Very low	42 Å²	42	94.2 Å²	94.2	43%	0.433	50%	0.5	S	S	.	.			trans	79	177.8	179.4	0	0	0	0	0	113.6	N789	N789-G791 PolarHBondContact O-N 3.02Å; N789-G791 VanDerWaalsContact OD1-CA 3.29Å; N789-G791 WeakPolarHBondContact OD1-CA 3.29Å; N789-G791 PolarHBondContact OD1-N 2.76Å
792	I	34.9	Very low	34.1	Very low	144 Å²	144	99.5 Å²	99.5	74%	0.738	52%	0.52	S	S	*	.	S	Bend	trans	57.1	98.5	157.3	-53.1	171.4	0	0	0	115.2
793	N	35	Very low	33.5	Very low	83 Å²	83	106.7 Å²	106.7	44%	0.444	56%	0.558	S	S	.	*			trans	31	98.9	146	-172.6	34.5	0	0	0	117.2	N795 D796	N793-N795 PolarHBondContact O-N 3.03Å; N793-N795 PolarHBondContact OD1-ND2 2.82Å; N793-D796 WeakPolarHBondContact CB-OD2 3.32Å; N793-D796 VanDerWaalsContact ND2-CG 3.27Å; N793-D796 PolarHBondContact ND2-OD1 2.87Å; N793-D796 PolarHBondContact ND2-OD2 2.81Å; N793-D796 PolarHBondContact O-N 3.35Å
794	V	32.8	Very low	33	Very low	132 Å²	132	111.3 Å²	111.3	80%	0.8	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-53.9	-25.9	178.4	-178.9	0	0	0	0	113.2	D796	V794-D796 PolarHBondContact O-N 3.49Å
795	N	35.9	Very low	32.6	Very low	120 Å²	120	118.8 Å²	118.8	64%	0.642	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-66.4	-16.1	179.4	-58.2	-69.2	0	0	0	114.6	N793 Y797	N793-N795 PolarHBondContact O-N 3.03Å; N793-N795 PolarHBondContact OD1-ND2 2.82Å; N795-Y797 VanDerWaalsContact C-N 3.31Å; N795-Y797 PolarHBondContact O-N 3.35Å
796	D	36.3	Very low	32.2	Very low	100 Å²	100	124.7 Å²	124.7	54%	0.535	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-84.4	1.6	-176.8	-67.1	-41.3	0	0	0	114.1	N793 V794	N793-D796 WeakPolarHBondContact CB-OD2 3.32Å; N793-D796 VanDerWaalsContact ND2-CG 3.27Å; N793-D796 PolarHBondContact ND2-OD1 2.87Å; N793-D796 PolarHBondContact ND2-OD2 2.81Å; N793-D796 PolarHBondContact O-N 3.35Å; V794-D796 PolarHBondContact O-N 3.49Å
797	Y	30.3	Very low	31.5	Very low	204 Å²	204	124 Å²	124	80%	0.8	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-126.9	36.2	-174.7	-84.1	-86.9	0	0	0	115	N795 P799	N795-Y797 VanDerWaalsContact C-N 3.31Å; N795-Y797 PolarHBondContact O-N 3.35Å; Y797-P799 WeakPolarHBondContact O-CD 3.07Å
798	I	27.1	Very low	31.2	Very low	121 Å²	121	127.5 Å²	127.5	62%	0.621	68%	0.68	S	S	*	*			trans	-101.9	107.2	168.9	-58.8	174	0	0	0	110	N800	I798-N800 PolarHBondContact O-N 2.82Å
799	P	29.2	Very low	31	Very low	116 Å²	116	131.1 Å²	131.1	75%	0.753	71%	0.709	S	S	*	*			trans	-79.1	115	170	-9.9	28	0	0	0	110.3	Y797 A801	Y797-P799 WeakPolarHBondContact O-CD 3.07Å; P799-A801 PolarHBondContact O-N 2.81Å
800	N	26.6	Very low	30.7	Very low	162 Å²	162	132.9 Å²	132.9	87%	0.866	72%	0.718	S	S	*	*			trans	-70.3	87.3	177.8	-74	-36.6	0	0	0	112.7	I798	I798-N800 PolarHBondContact O-N 2.82Å
801	A	29.2	Very low	30.6	Very low	77 Å²	77	131.3 Å²	131.3	64%	0.636	72%	0.723	S	S	*	*			trans	-168.1	125.6	157.8	0	0	0	0	0	108.9	P799	P799-A801 PolarHBondContact O-N 2.81Å
802	F	25.9	Very low	30.2	Very low	190 Å²	190	140.6 Å²	140.6	83%	0.833	75%	0.747	S	S	*	*	S	Bend	cis	-136.1	136.3	12.9	-78.6	-103.5	0	0	0	111.9
803	N	28.4	Very low	30	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	75%	0.749	S	S	*	*			trans	151.7	123.5	132.3	-77.9	-23.3	0	0	0	109.9
804	D	32.3	Very low	29.9	Very low	145 Å²	145	139 Å²	139	78%	0.775	75%	0.752	S	S	*	*			trans	-74.3	159.2	-180	-75.2	-66.8	0	0	0	113.1
805	H	33.7	Very low	30.4	Very low	162 Å²	162	138.3 Å²	138.3	75%	0.75	74%	0.744	S	S	*	*			trans	82.7	53.6	164.6	-48.9	-50.9	0	0	0	119.4
806	Q	28.9	Very low	30.4	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	74%	0.738	S	S	*	*				67.7	137	115.6	-73	178.9	-25.1	0	0	122.6
807	T	26.4	Very low	30.4	Very low	135 Å²	135	136.6 Å²	136.6	83%	0.828	74%	0.741	S	S	*	*			trans	80.1	64.6	147.1	51.6	0	0	0	0	121.5
808	S	25.8	Very low	31.3	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	72%	0.72	S	S	*	*			trans	-167.2	148.6	136.4	56.6	0	0	0	0	113.8
809	T	29.2	Very low	31.9	Very low	131 Å²	131	124.1 Å²	124.1	80%	0.804	69%	0.692	S	S	*	*			trans	55	112.8	156.1	49.6	0	0	0	0	120.1
810	D	27.9	Very low	32.4	Very low	164 Å²	164	124.6 Å²	124.6	88%	0.877	68%	0.679	S	S	*	*			trans	-86.6	136.8	169.2	-49.3	-74.3	0	0	0	112.5
811	S	29.8	Very low	33.3	Very low	94 Å²	94	123.2 Å²	123.2	66%	0.657	67%	0.667	S	S	*	*			trans	-130	148.1	167.2	69	0	0	0	0	111.5
812	Y	28.7	Very low	34.2	Very low	237 Å²	237	122.4 Å²	122.4	93%	0.929	65%	0.647	S	S	*	*			trans	-98	133	-169.6	-79.1	-109.1	0	0	0	112.5
813	G	29.7	Very low	35.1	Very low	77 Å²	77	113.3 Å²	113.3	79%	0.794	61%	0.608	S	S	*	*			trans	-118.2	135.4	174.8	0	0	0	0	0	113.7
814	F	34.8	Very low	36	Very low	116 Å²	116	109.1 Å²	109.1	51%	0.509	59%	0.585	S	S	.	*			trans	-87.2	153.8	177.7	-119.9	-116.2	0	0	0	112.1	E523	E523-F814 VanDerWaalsContact OE1-CD1 3.28Å; E523-F814 WeakPolarHBondContact OE1-CD1 3.41Å
815	N	42.1	Very low	36.9	Very low	118 Å²	118	104.9 Å²	104.9	63%	0.631	56%	0.562	S	S	*	*			trans	-112.8	77.6	-164.7	-155	-21.7	0	0	0	113.9	C817 T818	N815-C817 PolarHBondContact O-N 2.64Å; N815-T818 PolarHBondContact O-N 3.33Å; N815-T818 PolarHBondContact O-OG1 3.39Å
816	D	35.8	Very low	37.5	Very low	94 Å²	94	98 Å²	98	50%	0.503	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-33.3	-169	-139.5	18.4	0	0	0	115.4	R526 T818	R526-D816 IonicContact NH1-OD2 2.67Å; D816-T818 PolarHBondContact O-N 2.78Å
817	C	36.2	Very low	38.5	Very low	90 Å²	90	90.3 Å²	90.3	61%	0.608	50%	0.495	S	S	*	.	H	α-helix	trans	-64.4	-39.4	-173.3	-70.7	0	0	0	0	114.1	N815 I819 R820 E821	N815-C817 PolarHBondContact O-N 2.64Å; C817-I819 VanDerWaalsContact C-N 3.27Å; C817-I819 PolarHBondContact O-N 2.86Å; C817-R820 PolarHBondContact O-N 3.08Å; C817-E821 PolarHBondContact O-N 3.3Å
818	T	49.1	Very low	39.6	Very low	57 Å²	57	89.1 Å²	89.1	35%	0.35	48%	0.484	S	S	.	.	H	α-helix	trans	-68.2	-27.5	-173.9	56	0	0	0	0	113.3	N815 D816 W822	N815-T818 PolarHBondContact O-N 3.33Å; N815-T818 PolarHBondContact O-OG1 3.39Å; D816-T818 PolarHBondContact O-N 2.78Å; T818-W822 WeakPolarHBondContact O-CB 3.35Å; T818-W822 PolarHBondContact O-N 2.95Å
819	I	40.3	Very low	40.5	Very low	6 Å²	6	88 Å²	88	3%	0.031	47%	0.467	C	S	.	.	H	α-helix	trans	-75.5	-40	-178.3	-50.5	-172.7	0	0	0	110.3	E523 F524 Y788 C817 W822 W823	E523-I819 HydrophobicContact CB-CD1 4.08Å; E523-I819 HydrophobicContact CB-CG2 4.16Å; E523-I819 HydrophobicContact CG-CD1 4.18Å; E523-I819 VanDerWaalsContact OE1-CD1 3.25Å; E523-I819 WeakPolarHBondContact OE1-CD1 3.37Å; E523-I819 VanDerWaalsContact OE2-CD1 3.25Å; E523-I819 WeakPolarHBondContact OE2-CD1 3.4Å; F524-I819 HydrophobicContact CD1-CG2 3.94Å; F524-I819 HydrophobicContact CE1-CG2 3.59Å; Y788-I819 HydrophobicContact CE1-CD1 4.33Å; Y788-I819 HydrophobicContact CE1-CG1 3.82Å; C817-I819 VanDerWaalsContact C-N 3.27Å; C817-I819 PolarHBondContact O-N 2.86Å; I819-W822 PolarHBondContact O-N 3.03Å; I819-W823 WeakPolarHBondContact O-CB 3.31Å; I819-W823 PolarHBondContact O-N 3.25Å
820	R	39.4	Very low	41.4	Very low	126 Å²	126	84.4 Å²	84.4	48%	0.475	44%	0.438	S	S	.	.	H	α-helix	trans	-66.6	-42.7	-180	-162.5	178.8	-171.2	-155.8	4.9	112.1	P527 E530 C817 L824	P527-R820 HydrophobicContact CG-CG 4.47Å; E530-R820 IonicContact OE1-CZ 2.98Å; E530-R820 VanDerWaalsContact OE1-CZ 3.27Å; E530-R820 IonicContact OE1-NE 3.11Å; E530-R820 PolarHBondContact OE1-NE 3.21Å; E530-R820 IonicContact OE1-NH2 2.88Å; E530-R820 PolarHBondContact OE1-NH2 3.01Å; E530-R820 IonicContact OE2-CZ 2.9Å; E530-R820 IonicContact OE2-NE 2.71Å; E530-R820 IonicContact OE2-NH2 3.3Å; E530-R820 PolarHBondContact OE2-NH2 3.05Å; C817-R820 PolarHBondContact O-N 3.08Å; R820-L824 WeakPolarHBondContact O-CD1 3.48Å; R820-L824 VanDerWaalsContact O-CG 3.25Å; R820-L824 WeakPolarHBondContact O-CG 3.49Å; R820-L824 PolarHBondContact O-N 2.52Å; R820-L824 VanDerWaalsContact O-N 3.12Å
821	E	45.7	Very low	42	Very low	133 Å²	133	81.1 Å²	81.1	62%	0.621	43%	0.428	S	S	*	.	H	α-helix	trans	-61.6	-52	173.6	-67.2	-174	147.4	0	0	111	C817 W823 L824 D825	C817-E821 PolarHBondContact O-N 3.3Å; E821-W823 VanDerWaalsContact C-N 3.31Å; E821-W823 PolarHBondContact O-N 2.74Å; E821-L824 PolarHBondContact O-N 2.84Å; E821-L824 VanDerWaalsContact O-N 3.16Å; E821-D825 PolarHBondContact O-N 3.24Å
822	W	48.3	Very low	42.9	Very low	59 Å²	59	82.3 Å²	82.3	22%	0.223	43%	0.427	C	S	.	.	H	α-helix	trans	-58.5	-40.1	-179.9	176.9	84.4	0	0	0	113.3	F524 W691 T818 I819 D825 L826	F524-W822 HydrophobicContact CD1-CZ3 4.16Å; F524-W822 AromaticContact CE1-CE3 3.65Å; F524-W822 HydrophobicContact CE1-CE3 3.65Å; F524-W822 HydrophobicContact CE1-CH2 4.46Å; F524-W822 AromaticContact CE1-CZ3 3.32Å; F524-W822 HydrophobicContact CE1-CZ3 3.32Å; F524-W822 HydrophobicContact CE2-CZ3 4.43Å; F524-W822 HydrophobicContact CZ-CE3 4.12Å; F524-W822 HydrophobicContact CZ-CH2 4.28Å; F524-W822 AromaticContact CZ-CZ3 3.5Å; F524-W822 HydrophobicContact CZ-CZ3 3.5Å; F524-W822 VanDerWaalsContact CZ-CZ3 3.5Å; W691-W822 HydrophobicContact CD2-CZ2 4.34Å; W691-W822 AromaticContact CE2-CZ2 3.8Å; W691-W822 HydrophobicContact CE3-CZ2 4.26Å; W691-W822 HydrophobicContact CH2-CD2 4.42Å; W691-W822 AromaticContact CH2-CE2 3.41Å; W691-W822 VanDerWaalsContact CH2-CE2 3.41Å; W691-W822 AromaticContact CH2-CH2 3.6Å; W691-W822 HydrophobicContact CH2-CH2 3.6Å; W691-W822 AromaticContact CH2-CZ2 2.97Å; W691-W822 HydrophobicContact CH2-CZ2 2.97Å; W691-W822 AromaticContact CH2-NE1 3.75Å; W691-W822 AromaticContact CZ2-CH2 3.44Å; W691-W822 HydrophobicContact CZ2-CH2 3.44Å; W691-W822 VanDerWaalsContact CZ2-CH2 3.44Å; W691-W822 AromaticContact CZ2-CZ2 3.1Å; W691-W822 HydrophobicContact CZ2-CZ2 3.1Å; W691-W822 AromaticContact CZ3-CE2 3.75Å; W691-W822 AromaticContact CZ3-CZ2 3.62Å; W691-W822 HydrophobicContact CZ3-CZ2 3.62Å; W691-W822 AromaticContact CZ3-NE1 3.56Å; T818-W822 WeakPolarHBondContact O-CB 3.35Å; T818-W822 PolarHBondContact O-N 2.95Å; I819-W822 PolarHBondContact O-N 3.03Å; W822-D825 PolarHBondContact O-N 3.48Å; W822-L826 HydrophobicContact CH2-CD1 3.27Å; W822-L826 HydrophobicContact CH2-CG 4.47Å; W822-L826 HydrophobicContact CZ2-CB 4.45Å; W822-L826 HydrophobicContact CZ2-CD1 3.43Å; W822-L826 VanDerWaalsContact CZ2-CD1 3.43Å; W822-L826 HydrophobicContact CZ3-CD1 4.07Å; W822-L826 PolarHBondContact O-N 2.65Å
823	W	45.7	Very low	44.1	Very low	0 Å²	0	72 Å²	72	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-68.6	-39.3	177.5	178.1	-91.9	0	0	0	112.6	F524 P527 L528 L570 L573 V574 I819 E821 D825 L826 I827	F524-W823 HydrophobicContact CB-CE3 4.01Å; F524-W823 HydrophobicContact CB-CH2 4.38Å; F524-W823 HydrophobicContact CB-CZ3 3.91Å; F524-W823 HydrophobicContact CD1-CD2 4.23Å; F524-W823 AromaticContact CD1-CE3 3.54Å; F524-W823 HydrophobicContact CD1-CE3 3.54Å; F524-W823 HydrophobicContact CD1-CZ3 4.12Å; F524-W823 HydrophobicContact CE1-CE3 4.21Å; F524-W823 AromaticContact CG-CE3 3.84Å; F524-W823 HydrophobicContact CG-CE3 3.84Å; F524-W823 AromaticContact CG-CZ3 3.93Å; F524-W823 HydrophobicContact CG-CZ3 3.93Å; P527-W823 HydrophobicContact CB-CB 4.26Å; P527-W823 HydrophobicContact CB-CD2 4.43Å; P527-W823 HydrophobicContact CB-CG 3.7Å; P527-W823 HydrophobicContact CG-CG 4.43Å; L528-W823 HydrophobicContact CB-CZ2 3.89Å; L528-W823 HydrophobicContact CD1-CZ2 4.26Å; L528-W823 HydrophobicContact CG-CZ2 4.46Å; L570-W823 HydrophobicContact CD1-CH2 3.49Å; L570-W823 VanDerWaalsContact CD1-CH2 3.49Å; L570-W823 HydrophobicContact CD1-CZ3 3.7Å; L573-W823 HydrophobicContact CB-CH2 4.23Å; L573-W823 HydrophobicContact CD1-CH2 3.69Å; L573-W823 HydrophobicContact CD1-CZ2 4.04Å; V574-W823 HydrophobicContact CG2-CZ3 4.31Å; I819-W823 WeakPolarHBondContact O-CB 3.31Å; I819-W823 PolarHBondContact O-N 3.25Å; E821-W823 VanDerWaalsContact C-N 3.31Å; E821-W823 PolarHBondContact O-N 2.74Å; W823-D825 VanDerWaalsContact C-N 3.34Å; W823-L826 PolarHBondContact O-N 3.46Å; W823-I827 HydrophobicContact CZ2-CD1 3.86Å; W823-I827 HydrophobicContact CZ2-CG1 4.36Å; W823-I827 PolarHBondContact O-N 3.37Å
824	L	46.5	Very low	45.5	Very low	70 Å²	70	73.9 Å²	73.9	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-43.6	175.1	-73.6	167.4	0	0	0	110.6	R820 E821 I827 N828	R820-L824 WeakPolarHBondContact O-CD1 3.48Å; R820-L824 VanDerWaalsContact O-CG 3.25Å; R820-L824 WeakPolarHBondContact O-CG 3.49Å; R820-L824 PolarHBondContact O-N 2.52Å; R820-L824 VanDerWaalsContact O-N 3.12Å; E821-L824 PolarHBondContact O-N 2.84Å; E821-L824 VanDerWaalsContact O-N 3.16Å; L824-I827 PolarHBondContact O-N 3.27Å; L824-N828 VanDerWaalsContact O-CB 3.25Å; L824-N828 WeakPolarHBondContact O-CB 3.45Å; L824-N828 PolarHBondContact O-N 3.5Å; L824-N828 PolarHBondContact O-ND2 2.92Å; L824-N828 VanDerWaalsContact O-ND2 3.08Å
825	D	50.6	Low	46.8	Very low	55 Å²	55	68.7 Å²	68.7	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-44.3	173.6	-74.6	-24	0	0	0	112	M696 E821 W822 W823 I827 N828 Q829	M696-D825 VanDerWaalsContact CE-OD2 3.32Å; M696-D825 WeakPolarHBondContact CE-OD2 3.37Å; E821-D825 PolarHBondContact O-N 3.24Å; W822-D825 PolarHBondContact O-N 3.48Å; W823-D825 VanDerWaalsContact C-N 3.34Å; D825-I827 VanDerWaalsContact C-N 3.28Å; D825-I827 PolarHBondContact O-N 2.91Å; D825-N828 PolarHBondContact O-N 3.49Å; D825-Q829 VanDerWaalsContact O-CB 3.31Å; D825-Q829 WeakPolarHBondContact O-CB 3.42Å; D825-Q829 VanDerWaalsContact O-CG 3.29Å; D825-Q829 WeakPolarHBondContact O-CG 3.33Å; D825-Q829 PolarHBondContact O-N 3.35Å
826	L	47.1	Very low	48	Very low	18 Å²	18	63.4 Å²	63.4	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-36.2	177.5	-179.1	148.3	0	0	0	113	L573 W822 W823 R830	L573-L826 HydrophobicContact CB-CD2 4.36Å; L573-L826 HydrophobicContact CD2-CD2 4.26Å; W822-L826 HydrophobicContact CH2-CD1 3.27Å; W822-L826 HydrophobicContact CH2-CG 4.47Å; W822-L826 HydrophobicContact CZ2-CB 4.45Å; W822-L826 HydrophobicContact CZ2-CD1 3.43Å; W822-L826 VanDerWaalsContact CZ2-CD1 3.43Å; W822-L826 HydrophobicContact CZ3-CD1 4.07Å; W822-L826 PolarHBondContact O-N 2.65Å; W823-L826 PolarHBondContact O-N 3.46Å; L826-R830 WeakPolarHBondContact O-CG 3.3Å
827	I	50.1	Low	49.2	Very low	10 Å²	10	60.4 Å²	60.4	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-73.6	-45.9	174.1	-75	-173.7	0	0	0	111.1	R531 W823 L824 D825 W963	R531-I827 HydrophobicContact CB-CD1 4.4Å; R531-I827 HydrophobicContact CG-CD1 4.08Å; W823-I827 HydrophobicContact CZ2-CD1 3.86Å; W823-I827 HydrophobicContact CZ2-CG1 4.36Å; W823-I827 PolarHBondContact O-N 3.37Å; L824-I827 PolarHBondContact O-N 3.27Å; D825-I827 VanDerWaalsContact C-N 3.28Å; D825-I827 PolarHBondContact O-N 2.91Å; I827-W963 HydrophobicContact CD1-CH2 4.43Å; I827-W963 HydrophobicContact CD1-CZ2 3.96Å; I827-W963 HydrophobicContact CG1-CZ2 4.11Å; I827-W963 HydrophobicContact CG2-CZ2 4.24Å
828	N	49.2	Very low	50.1	Low	110 Å²	110	58.6 Å²	58.6	59%	0.588	29%	0.293	S	S	*	.	H	α-helix	trans	-71.2	-33.5	-173.3	-69.6	-25.4	0	0	0	113	L824 D825	L824-N828 VanDerWaalsContact O-CB 3.25Å; L824-N828 WeakPolarHBondContact O-CB 3.45Å; L824-N828 PolarHBondContact O-N 3.5Å; L824-N828 PolarHBondContact O-ND2 2.92Å; L824-N828 VanDerWaalsContact O-ND2 3.08Å; D825-N828 PolarHBondContact O-N 3.49Å
829	Q	45.2	Very low	50.1	Low	84 Å²	84	57.1 Å²	57.1	39%	0.393	29%	0.288	S	S	.	.	S	Bend	trans	-83	-14.3	-177.3	-65.4	-172.7	-1.1	0	0	114	E694 D825 S831	E694-Q829 PolarHBondContact OE2-NE2 3.03Å; D825-Q829 VanDerWaalsContact O-CB 3.31Å; D825-Q829 WeakPolarHBondContact O-CB 3.42Å; D825-Q829 VanDerWaalsContact O-CG 3.29Å; D825-Q829 WeakPolarHBondContact O-CG 3.33Å; D825-Q829 PolarHBondContact O-N 3.35Å; Q829-S831 PolarHBondContact O-N 3.06Å
830	R	48.6	Very low	50.5	Low	55 Å²	55	63.7 Å²	63.7	21%	0.208	32%	0.319	C	S	.	.			trans	-82.7	78.3	179.4	-75.5	-174.5	-170.2	-160.5	9	112.4	L573 L826 D832	L573-R830 PolarHBondContact O-NH1 2.91Å; L573-R830 PolarHBondContact O-NH2 3.24Å; L826-R830 WeakPolarHBondContact O-CG 3.3Å; R830-D832 PolarHBondContact O-N 3.45Å
831	S	39.1	Very low	51.5	Low	94 Å²	94	60.5 Å²	60.5	66%	0.657	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.4	160.8	57.1	0	0	0	0	113.2	Q829	Q829-S831 PolarHBondContact O-N 3.06Å
832	D	49.4	Very low	51.4	Low	119 Å²	119	57.4 Å²	57.4	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	39.3	-166	-61.6	11.9	0	0	0	111.6	R830 F834	R830-D832 PolarHBondContact O-N 3.45Å; D832-F834 HydrophobicContact CB-CE2 4.46Å; D832-F834 WeakPolarHBondContact O-CD2 3.24Å; D832-F834 PolarHBondContact O-N 3.27Å
833	Y	54.5	Low	50.8	Low	22 Å²	22	58.6 Å²	58.6	9%	0.086	32%	0.317	C	S	.	.			trans	-71.9	107.9	169.5	-176.6	-89.9	0	0	0	110.4	R572 L573 S835 E958 W963	R572-Y833 HydrophobicContact CG-CE2 4.14Å; L573-Y833 HydrophobicContact CD2-CD2 3.78Å; L573-Y833 HydrophobicContact CD2-CE2 3.65Å; L573-Y833 HydrophobicContact CG-CE2 4.15Å; Y833-S835 PolarHBondContact O-N 3.01Å; Y833-E958 HydrophobicContact CE1-CG 4.11Å; Y833-E958 WeakPolarHBondContact CE1-OE1 3.4Å; Y833-E958 PolarHBondContact OH-OE1 3.35Å; Y833-W963 HydrophobicContact CD1-CB 3.68Å; Y833-W963 HydrophobicContact CD1-CG 4.24Å; Y833-W963 HydrophobicContact CE1-CB 4.12Å; Y833-W963 HydrophobicContact CE1-CE3 4.26Å; Y833-W963 HydrophobicContact CE2-CE3 4.43Å; Y833-W963 HydrophobicContact CG-CB 4.25Å; Y833-W963 HydrophobicContact CG-CG 4.4Å
834	F	58.8	Low	50.3	Low	115 Å²	115	65.3 Å²	65.3	50%	0.504	35%	0.354	S	S	.	.			trans	-84.6	107.8	170.7	-69.7	-89.2	0	0	0	110.1	R572 D832	R572-F834 PolarHBondContact NH2-O 3.27Å; R572-F834 VanDerWaalsContact NH2-O 3.08Å; D832-F834 HydrophobicContact CB-CE2 4.46Å; D832-F834 WeakPolarHBondContact O-CD2 3.24Å; D832-F834 PolarHBondContact O-N 3.27Å
835	S	60.9	Low	49.7	Very low	8 Å²	8	63.7 Å²	63.7	6%	0.056	35%	0.348	C	S	.	.			trans	-48.2	136.7	173.4	153.8	0	0	0	0	112.2	Y833 C837 I838 E958	Y833-S835 PolarHBondContact O-N 3.01Å; S835-C837 PolarHBondContact O-N 2.9Å; S835-C837 PolarHBondContact OG-N 3.32Å; S835-I838 WeakPolarHBondContact O-CB 3.49Å; S835-I838 PolarHBondContact O-N 2.82Å; S835-E958 WeakPolarHBondContact CA-OE1 3.37Å; S835-E958 WeakPolarHBondContact CB-OE2 3.14Å; S835-E958 PolarHBondContact OG-OE2 3.47Å
836	I	68	Low	49	Very low	6 Å²	6	64.1 Å²	64.1	3%	0.031	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-24	-179.7	-60.2	175	0	0	0	111.1	V568 I569 R572 I838 W841 M931 L951 I954 E958	V568-I836 HydrophobicContact CG1-CD1 3.87Å; I569-I836 HydrophobicContact CG1-CD1 4.39Å; R572-I836 HydrophobicContact CB-CD1 3.75Å; R572-I836 HydrophobicContact CB-CG1 4.29Å; R572-I836 HydrophobicContact CG-CD1 3.9Å; R572-I836 HydrophobicContact CG-CG1 3.87Å; I836-I838 VanDerWaalsContact C-N 3.32Å; I836-I838 PolarHBondContact O-N 2.98Å; I836-W841 HydrophobicContact CG2-CZ2 4.17Å; I836-W841 PolarHBondContact O-NE1 3.32Å; I836-M931 HydrophobicContact CD1-CE 4.18Å; I836-M931 HydrophobicContact CD1-SD 4.31Å; I836-M931 HydrophobicContact CG1-CE 4.21Å; I836-M931 HydrophobicContact CG1-SD 4.4Å; I836-M931 HydrophobicContact CG2-CG 4.05Å; I836-M931 HydrophobicContact CG2-SD 3.68Å; I836-L951 HydrophobicContact CG2-CD2 4.4Å; I836-I954 HydrophobicContact CB-CG2 3.98Å; I836-I954 HydrophobicContact CD1-CG2 4.1Å; I836-I954 HydrophobicContact CG1-CG2 4.49Å; I836-I954 HydrophobicContact CG2-CG2 4.41Å; I836-E958 WeakPolarHBondContact CG1-OE1 3.5Å; I836-E958 PolarHBondContact N-OE1 3.23Å
837	C	60.6	Low	48.5	Very low	32 Å²	32	65.2 Å²	65.2	22%	0.216	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.1	-179.4	-61.5	0	0	0	0	113.8	S835 L951 E955	S835-C837 PolarHBondContact O-N 2.9Å; S835-C837 PolarHBondContact OG-N 3.32Å; C837-L951 PolarHBondContact SG-O 3.22Å; C837-E955 HydrophobicContact CB-CB 4.3Å; C837-E955 HydrophobicContact CB-CG 4.14Å
838	I	55.1	Low	47.8	Very low	52 Å²	52	72.7 Å²	72.7	27%	0.267	40%	0.397	S	S	.	.			trans	-82.2	135.9	174.5	-61	173.7	0	0	0	110.8	S835 I836 C924	S835-I838 WeakPolarHBondContact O-CB 3.49Å; S835-I838 PolarHBondContact O-N 2.82Å; I836-I838 VanDerWaalsContact C-N 3.32Å; I836-I838 PolarHBondContact O-N 2.98Å; I838-C924 HydrophobicContact CG2-CB 4.01Å
839	G	48.5	Very low	47.1	Very low	25 Å²	25	71 Å²	71	26%	0.258	39%	0.393	S	S	.	.	S	Bend	trans	101.4	169.8	176.6	0	0	0	0	0	113.9	W841	G839-W841 PolarHBondContact O-N 3.08Å; G839-W841 VanDerWaalsContact O-N 3.16Å
840	E	49.7	Very low	46.6	Very low	144 Å²	144	70.8 Å²	70.8	67%	0.673	39%	0.392	S	S	*	.			trans	-81.2	102.2	-176.1	-69.2	-159.9	-178.6	0	0	112.1	S842 D926	E840-S842 PolarHBondContact O-N 2.68Å; E840-D926 WeakPolarHBondContact CA-OD1 3.47Å; E840-D926 WeakPolarHBondContact CB-OD1 2.95Å; E840-D926 PolarHBondContact N-OD1 3.4Å
841	W	59.6	Low	45.8	Very low	59 Å²	59	70.1 Å²	70.1	22%	0.223	39%	0.39	C	S	.	.			trans	-67.2	84.7	161.4	-72.8	89.5	0	0	0	109.4	I836 G839 S843 P927 K932 V935 I947 L951	I836-W841 HydrophobicContact CG2-CZ2 4.17Å; I836-W841 PolarHBondContact O-NE1 3.32Å; G839-W841 PolarHBondContact O-N 3.08Å; G839-W841 VanDerWaalsContact O-N 3.16Å; W841-S843 PolarHBondContact O-N 2.91Å; W841-P927 HydrophobicContact CD2-CG 3.94Å; W841-P927 VanDerWaalsContact CE2-CG 3.42Å; W841-P927 HydrophobicContact CG-CG 4.26Å; W841-P927 HydrophobicContact CH2-CB 4.45Å; W841-P927 HydrophobicContact CH2-CG 4.41Å; W841-P927 HydrophobicContact CZ2-CB 3.86Å; W841-P927 HydrophobicContact CZ2-CG 3.68Å; W841-K932 HydrophobicContact CE3-CG 4.38Å; W841-K932 HydrophobicContact CH2-CG 4.15Å; W841-K932 HydrophobicContact CZ3-CB 4.48Å; W841-K932 HydrophobicContact CZ3-CG 3.82Å; W841-V935 HydrophobicContact CH2-CB 3.97Å; W841-V935 HydrophobicContact CH2-CG1 4.03Å; W841-V935 HydrophobicContact CH2-CG2 4.01Å; W841-V935 HydrophobicContact CZ3-CB 4.37Å; W841-V935 HydrophobicContact CZ3-CG1 4.2Å; W841-I947 HydrophobicContact CE3-CG2 4.08Å; W841-I947 HydrophobicContact CZ3-CG2 4.05Å; W841-L951 HydrophobicContact CB-CD1 4.45Å; W841-L951 HydrophobicContact CD2-CD1 3.42Å; W841-L951 VanDerWaalsContact CD2-CD1 3.42Å; W841-L951 HydrophobicContact CD2-CD2 4.36Å; W841-L951 HydrophobicContact CE3-CD1 3.77Å; W841-L951 HydrophobicContact CG-CD1 3.71Å; W841-L951 HydrophobicContact CH2-CD1 4.47Å; W841-L951 HydrophobicContact CH2-CD2 3.95Å; W841-L951 HydrophobicContact CZ2-CD1 4.18Å; W841-L951 HydrophobicContact CZ2-CD2 3.54Å; W841-L951 HydrophobicContact CZ3-CD1 4.28Å; W841-L951 HydrophobicContact CZ3-CD2 4.49Å
842	S	43.2	Very low	45.7	Very low	68 Å²	68	70.4 Å²	70.4	48%	0.476	38%	0.379	S	S	.	.			trans	-51.6	119.2	-161.1	67.3	0	0	0	0	113.8	E840 N844 S845	E840-S842 PolarHBondContact O-N 2.68Å; S842-N844 PolarHBondContact O-N 3.43Å; S842-S845 PolarHBondContact O-N 3Å; S842-S845 PolarHBondContact O-OG 2.99Å
843	S	37.3	Very low	45	Very low	84 Å²	84	69.5 Å²	69.5	59%	0.587	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-65.5	-17.2	-163.7	50.2	0	0	0	0	114.5	W841 S845 S846	W841-S843 PolarHBondContact O-N 2.91Å; S843-S845 PolarHBondContact O-N 3.02Å; S843-S846 VanDerWaalsContact O-CB 3.29Å; S843-S846 WeakPolarHBondContact O-CB 3.46Å; S843-S846 PolarHBondContact O-N 2.89Å; S843-S846 VanDerWaalsContact O-N 3.16Å; S843-S846 PolarHBondContact O-OG 3.11Å
844	N	34.2	Very low	44.1	Very low	142 Å²	142	73.6 Å²	73.6	76%	0.759	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-71	-12	177.7	-69.6	-26.7	0	0	0	114.5	S842 Q850	S842-N844 PolarHBondContact O-N 3.43Å; N844-Q850 PolarHBondContact O-NE2 3.22Å
845	S	34.5	Very low	43	Very low	36 Å²	36	74.8 Å²	74.8	25%	0.252	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-79.6	-16.9	170.8	62.1	0	0	0	0	113.8	S842 S843 S847	S842-S845 PolarHBondContact O-N 3Å; S842-S845 PolarHBondContact O-OG 2.99Å; S843-S845 PolarHBondContact O-N 3.02Å; S845-S847 PolarHBondContact O-N 2.83Å
846	S	36.7	Very low	41.7	Very low	64 Å²	64	82.9 Å²	82.9	45%	0.448	43%	0.426	S	S	.	.			trans	-82.7	-0.5	-158.7	71.1	0	0	0	0	116.6	S843 K848	S843-S846 VanDerWaalsContact O-CB 3.29Å; S843-S846 WeakPolarHBondContact O-CB 3.46Å; S843-S846 PolarHBondContact O-N 2.89Å; S843-S846 VanDerWaalsContact O-N 3.16Å; S843-S846 PolarHBondContact O-OG 3.11Å; S846-K848 PolarHBondContact O-N 3.44Å
847	S	34.6	Very low	40.1	Very low	41 Å²	41	84.9 Å²	84.9	29%	0.287	44%	0.44	S	S	.	.			trans	-73.2	128.2	-174.7	68	0	0	0	0	112.5	S845 S849 Q850 W851	S845-S847 PolarHBondContact O-N 2.83Å; S847-S849 PolarHBondContact O-N 3.16Å; S847-S849 PolarHBondContact OG-OG 2.84Å; S847-Q850 PolarHBondContact O-N 2.72Å; S847-Q850 WeakPolarHBondContact OG-CB 3.39Å; S847-Q850 WeakPolarHBondContact OG-CG 3.4Å; S847-Q850 PolarHBondContact OG-N 3.08Å; S847-W851 PolarHBondContact O-N 2.8Å
848	K	36.8	Very low	38.8	Very low	167 Å²	167	90.3 Å²	90.3	73%	0.726	46%	0.46	S	S	*	.	H	α-helix	trans	-54	-25.8	173.4	-77.6	-179.5	175.2	175.3	0	112.8	S846 K852	S846-K848 PolarHBondContact O-N 3.44Å; K848-K852 WeakPolarHBondContact O-CB 3.1Å; K848-K852 WeakPolarHBondContact O-CG 3.19Å; K848-K852 PolarHBondContact O-N 3.22Å
849	S	33.7	Very low	37.9	Very low	73 Å²	73	95.3 Å²	95.3	51%	0.51	48%	0.482	S	S	.	.	H	α-helix	trans	-73.2	-43.3	174.7	44.4	0	0	0	0	113	S847 W851 K852 N853	S847-S849 PolarHBondContact O-N 3.16Å; S847-S849 PolarHBondContact OG-OG 2.84Å; S849-W851 PolarHBondContact O-N 2.9Å; S849-K852 PolarHBondContact O-N 3.2Å; S849-N853 VanDerWaalsContact O-CB 3.31Å; S849-N853 WeakPolarHBondContact O-CB 3.46Å; S849-N853 VanDerWaalsContact O-CG 3.28Å; S849-N853 PolarHBondContact O-N 3.05Å
850	Q	34.9	Very low	37.3	Very low	80 Å²	80	97 Å²	97	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-60.9	-43.6	174.8	-84.8	-172.4	16.6	0	0	111.5	N844 S847 N853 R854	N844-Q850 PolarHBondContact O-NE2 3.22Å; S847-Q850 PolarHBondContact O-N 2.72Å; S847-Q850 WeakPolarHBondContact OG-CB 3.39Å; S847-Q850 WeakPolarHBondContact OG-CG 3.4Å; S847-Q850 PolarHBondContact OG-N 3.08Å; Q850-N853 CarbonylContact O-C 3.56Å; Q850-N853 PolarHBondContact O-N 3.12Å; Q850-R854 WeakPolarHBondContact O-CG 3.15Å; Q850-R854 PolarHBondContact O-N 2.86Å
851	W	32.6	Very low	36.7	Very low	42 Å²	42	94 Å²	94	16%	0.159	48%	0.477	C	S	.	.	H	α-helix	trans	-63.3	-45	177.3	-87.3	55.3	0	0	0	112.7	S847 S849 N853 R854 H855 A939 I947	S847-W851 PolarHBondContact O-N 2.8Å; S849-W851 PolarHBondContact O-N 2.9Å; W851-N853 PolarHBondContact O-N 2.71Å; W851-R854 PolarHBondContact O-N 2.87Å; W851-H855 PolarHBondContact O-CD2 3.29Å; W851-H855 PolarHBondContact O-N 2.83Å; W851-A939 HydrophobicContact CH2-CB 4.38Å; W851-I947 HydrophobicContact CH2-CG1 4.15Å; W851-I947 HydrophobicContact CZ2-CD1 3.63Å; W851-I947 HydrophobicContact CZ2-CG1 3.61Å
852	K	37.1	Very low	35.6	Very low	100 Å²	100	96.8 Å²	96.8	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-68.7	-20	175.7	-69.8	-174	-178.2	-165.7	0	113.7	E479 K848 S849	E479-K852 IonicContact OE1-NZ 3.86Å; E479-K852 PolarHBondContact OE1-NZ 3.22Å; E479-K852 WeakPolarHBondContact OE2-CE 3.36Å; E479-K852 IonicContact OE2-NZ 3.72Å; E479-K852 PolarHBondContact OE2-NZ 3.33Å; K848-K852 WeakPolarHBondContact O-CB 3.1Å; K848-K852 WeakPolarHBondContact O-CG 3.19Å; K848-K852 PolarHBondContact O-N 3.22Å; S849-K852 PolarHBondContact O-N 3.2Å
853	N	33.9	Very low	35.3	Very low	100 Å²	100	95.2 Å²	95.2	54%	0.535	48%	0.481	S	S	.	.	H	α-helix	trans	-85.4	-39.1	170.5	-74.2	-6.7	0	0	0	112.4	S849 Q850 W851 H855 R856 S857	S849-N853 VanDerWaalsContact O-CB 3.31Å; S849-N853 WeakPolarHBondContact O-CB 3.46Å; S849-N853 VanDerWaalsContact O-CG 3.28Å; S849-N853 PolarHBondContact O-N 3.05Å; Q850-N853 CarbonylContact O-C 3.56Å; Q850-N853 PolarHBondContact O-N 3.12Å; W851-N853 PolarHBondContact O-N 2.71Å; N853-H855 VanDerWaalsContact C-N 3.32Å; N853-H855 PolarHBondContact O-N 3.19Å; N853-R856 CarbonylContact O-C 3.37Å; N853-R856 WeakPolarHBondContact O-CA 3.44Å; N853-R856 WeakPolarHBondContact O-CB 3.36Å; N853-R856 PolarHBondContact O-N 3.16Å; N853-S857 PolarHBondContact O-N 2.6Å; N853-S857 PolarHBondContact O-OG 3.47Å
854	R	35.6	Very low	35.5	Very low	107 Å²	107	94.7 Å²	94.7	40%	0.404	48%	0.476	S	S	.	.	H	α-helix	trans	-57.8	-41.1	176.8	-76.8	-178.6	-171	-170	4.5	111.9	Q850 W851 R856 D936	Q850-R854 WeakPolarHBondContact O-CG 3.15Å; Q850-R854 PolarHBondContact O-N 2.86Å; W851-R854 PolarHBondContact O-N 2.87Å; R854-R856 PolarHBondContact O-N 2.56Å; R854-D936 IonicContact NH1-OD2 3.21Å
855	H	35.5	Very low	35.8	Very low	140 Å²	140	94.4 Å²	94.4	65%	0.648	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	3.1	171.1	-76	-69.6	0	0	0	115.1	W851 N853	W851-H855 PolarHBondContact O-CD2 3.29Å; W851-H855 PolarHBondContact O-N 2.83Å; N853-H855 VanDerWaalsContact C-N 3.32Å; N853-H855 PolarHBondContact O-N 3.19Å
856	R	33.6	Very low	35.8	Very low	178 Å²	178	96.6 Å²	96.6	67%	0.672	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	-29.3	179.8	-71.4	-179.9	154.8	-141.5	-14.9	113.5	N853 R854	N853-R856 CarbonylContact O-C 3.37Å; N853-R856 WeakPolarHBondContact O-CA 3.44Å; N853-R856 WeakPolarHBondContact O-CB 3.36Å; N853-R856 PolarHBondContact O-N 3.16Å; R854-R856 PolarHBondContact O-N 2.56Å
857	S	33.9	Very low	35.9	Very low	48 Å²	48	96.4 Å²	96.4	34%	0.336	48%	0.477	S	S	.	.	S	Bend	trans	-87.4	117.3	175.1	57	0	0	0	0	109.9	N853 Q859	N853-S857 PolarHBondContact O-N 2.6Å; N853-S857 PolarHBondContact O-OG 3.47Å; S857-Q859 PolarHBondContact O-N 3.38Å
858	K	34.3	Very low	36.3	Very low	146 Å²	146	98.2 Å²	98.2	64%	0.635	48%	0.481	S	S	*	.			trans	-71.4	42.3	176.6	-57.7	-177.3	177.4	-174.8	0	113.5	P860	K858-P860 WeakPolarHBondContact O-CD 3.06Å
859	Q	36.7	Very low	36.6	Very low	157 Å²	157	94.7 Å²	94.7	73%	0.734	47%	0.467	S	S	*	.			trans	-83.1	117.7	171.9	-75.4	-175	-43.1	0	0	108.3	S857	S857-Q859 PolarHBondContact O-N 3.38Å
860	P	35.9	Very low	37	Very low	60 Å²	60	94 Å²	94	39%	0.39	46%	0.455	S	S	.	.			trans	-63.6	148.7	168.5	28.2	-33.1	0	0	0	109.4	K858 I862	K858-P860 WeakPolarHBondContact O-CD 3.06Å; P860-I862 HydrophobicContact CG-CG1 4Å; P860-I862 PolarHBondContact O-N 3.06Å
861	L	36.6	Very low	37.3	Very low	82 Å²	82	91.5 Å²	91.5	43%	0.429	44%	0.444	S	S	.	.			trans	-74.9	84.6	160.7	-78.4	173.7	0	0	0	107.5	L863	L861-L863 PolarHBondContact O-N 2.85Å
862	I	36	Very low	38	Very low	117 Å²	117	92.3 Å²	92.3	60%	0.6	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-54.1	125.5	171.4	-53.6	179.3	0	0	0	107.1	P860 E868	P860-I862 HydrophobicContact CG-CG1 4Å; P860-I862 PolarHBondContact O-N 3.06Å; I862-E868 VanDerWaalsContact CG2-OE1 3.26Å; I862-E868 WeakPolarHBondContact CG2-OE1 3.41Å; I862-E868 VanDerWaalsContact CG2-OE2 3.3Å; I862-E868 WeakPolarHBondContact CG2-OE2 3.3Å
863	L	37	Very low	38.3	Very low	36 Å²	36	92.1 Å²	92.1	19%	0.188	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-63.8	143.5	174.9	-77.4	160.6	0	0	0	107.4	L861 K865 V867 E868 I871	L861-L863 PolarHBondContact O-N 2.85Å; L863-K865 PolarHBondContact O-N 3.13Å; L863-V867 HydrophobicContact CB-CG1 4.49Å; L863-V867 HydrophobicContact CD2-CG1 4.43Å; L863-E868 HydrophobicContact CB-CB 4.33Å; L863-E868 HydrophobicContact CB-CG 4.07Å; L863-E868 PolarHBondContact N-OE1 2.87Å; L863-I871 HydrophobicContact CD1-CD1 3.9Å
864	P	40.9	Very low	38.6	Very low	73 Å²	73	90.7 Å²	90.7	47%	0.474	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-51.5	125.4	-178.6	-25.7	33.7	0	0	0	109.3	P866 V867 E868	P864-P866 VanDerWaalsContact C-N 3.27Å; P864-P866 WeakPolarHBondContact O-CD 3.28Å; P864-V867 HydrophobicContact CB-CG2 4.21Å; P864-V867 HydrophobicContact CG-CG2 4.45Å; P864-V867 WeakPolarHBondContact O-CA 3.21Å; P864-V867 VanDerWaalsContact O-CB 3.24Å; P864-V867 WeakPolarHBondContact O-CB 3.28Å; P864-V867 PolarHBondContact O-N 3.24Å; P864-E868 PolarHBondContact O-N 3.11Å
865	K	41.3	Very low	38.9	Very low	135 Å²	135	87.5 Å²	87.5	59%	0.587	44%	0.44	S	S	*	.	H	α-helix	trans	-46.9	-37.6	-162	-146.2	-173	179.5	-129.6	0	116.2	L863 V867 E868 E869	L863-K865 PolarHBondContact O-N 3.13Å; K865-V867 VanDerWaalsContact C-N 3.3Å; K865-V867 PolarHBondContact O-N 2.86Å; K865-E868 WeakPolarHBondContact O-CB 3.22Å; K865-E868 PolarHBondContact O-N 2.8Å; K865-E869 WeakPolarHBondContact CD-OE1 3.24Å; K865-E869 WeakPolarHBondContact CE-OE1 3.44Å; K865-E869 HydrophobicContact CG-CG 4.45Å; K865-E869 IonicContact NZ-OE1 2.75Å; K865-E869 PolarHBondContact NZ-OE1 3.44Å; K865-E869 WeakPolarHBondContact O-CB 3.26Å; K865-E869 WeakPolarHBondContact O-CG 3.47Å; K865-E869 PolarHBondContact O-N 3.45Å
866	P	35.6	Very low	39.3	Very low	83 Å²	83	85.6 Å²	85.6	54%	0.539	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-26.8	173.2	-23.6	35.8	0	0	0	115.4	P864 F870	P864-P866 VanDerWaalsContact C-N 3.27Å; P864-P866 WeakPolarHBondContact O-CD 3.28Å; P866-F870 WeakPolarHBondContact O-CB 3.34Å; P866-F870 PolarHBondContact O-N 2.79Å
867	V	38.2	Very low	39.6	Very low	60 Å²	60	80.5 Å²	80.5	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-75.7	-39.8	172.3	-176.7	0	0	0	0	110.2	L863 P864 K865 I871	L863-V867 HydrophobicContact CB-CG1 4.49Å; L863-V867 HydrophobicContact CD2-CG1 4.43Å; P864-V867 HydrophobicContact CB-CG2 4.21Å; P864-V867 HydrophobicContact CG-CG2 4.45Å; P864-V867 WeakPolarHBondContact O-CA 3.21Å; P864-V867 VanDerWaalsContact O-CB 3.24Å; P864-V867 WeakPolarHBondContact O-CB 3.28Å; P864-V867 PolarHBondContact O-N 3.24Å; K865-V867 VanDerWaalsContact C-N 3.3Å; K865-V867 PolarHBondContact O-N 2.86Å; V867-I871 HydrophobicContact CG1-CD1 3.83Å; V867-I871 HydrophobicContact CG1-CG1 4.47Å; V867-I871 VanDerWaalsContact O-CB 3.28Å; V867-I871 WeakPolarHBondContact O-CB 3.24Å; V867-I871 WeakPolarHBondContact O-CG1 3.49Å; V867-I871 PolarHBondContact O-N 3.25Å
868	E	42.3	Very low	39.7	Very low	78 Å²	78	81 Å²	81	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-46.2	175.4	-130.6	162	-127.8	0	0	111.4	I862 L863 P864 K865 I871 A872	I862-E868 VanDerWaalsContact CG2-OE1 3.26Å; I862-E868 WeakPolarHBondContact CG2-OE1 3.41Å; I862-E868 VanDerWaalsContact CG2-OE2 3.3Å; I862-E868 WeakPolarHBondContact CG2-OE2 3.3Å; L863-E868 HydrophobicContact CB-CB 4.33Å; L863-E868 HydrophobicContact CB-CG 4.07Å; L863-E868 PolarHBondContact N-OE1 2.87Å; P864-E868 PolarHBondContact O-N 3.11Å; K865-E868 WeakPolarHBondContact O-CB 3.22Å; K865-E868 PolarHBondContact O-N 2.8Å; E868-I871 PolarHBondContact O-N 3.2Å; E868-A872 WeakPolarHBondContact O-CB 3.45Å; E868-A872 PolarHBondContact O-N 3.39Å
869	E	44.2	Very low	39.9	Very low	93 Å²	93	77.9 Å²	77.9	44%	0.435	42%	0.418	S	S	.	.	H	α-helix	trans	-66.4	-37.5	175.3	-70.7	168.6	-178	0	0	112	K865 K873	K865-E869 WeakPolarHBondContact CD-OE1 3.24Å; K865-E869 WeakPolarHBondContact CE-OE1 3.44Å; K865-E869 HydrophobicContact CG-CG 4.45Å; K865-E869 IonicContact NZ-OE1 2.75Å; K865-E869 PolarHBondContact NZ-OE1 3.44Å; K865-E869 WeakPolarHBondContact O-CB 3.26Å; K865-E869 WeakPolarHBondContact O-CG 3.47Å; K865-E869 PolarHBondContact O-N 3.45Å; E869-K873 PolarHBondContact O-N 2.97Å; E869-K873 VanDerWaalsContact O-N 3.15Å
870	F	40.3	Very low	40.2	Very low	59 Å²	59	76.6 Å²	76.6	26%	0.259	41%	0.41	S	S	.	.	H	α-helix	trans	-66.5	-47.9	172.5	167	-121.4	0	0	0	112	A589 P866 A872 K873 H874	A589-F870 HydrophobicContact CB-CD2 3.69Å; A589-F870 HydrophobicContact CB-CE1 4.25Å; A589-F870 HydrophobicContact CB-CE2 3.24Å; A589-F870 HydrophobicContact CB-CG 4.39Å; A589-F870 HydrophobicContact CB-CZ 3.56Å; P866-F870 WeakPolarHBondContact O-CB 3.34Å; P866-F870 PolarHBondContact O-N 2.79Å; F870-A872 VanDerWaalsContact C-N 3.33Å; F870-A872 PolarHBondContact O-N 2.98Å; F870-K873 PolarHBondContact O-N 3.45Å; F870-H874 HydrophobicContact CD2-CB 4.36Å; F870-H874 HydrophobicContact CE2-CB 3.88Å; F870-H874 AromaticContact CE2-CD2 3.91Å; F870-H874 HydrophobicContact CZ-CB 4.16Å; F870-H874 AromaticContact CZ-CD2 3.75Å; F870-H874 WeakPolarHBondContact O-CB 3.21Å; F870-H874 PolarHBondContact O-N 2.86Å
871	I	42.7	Very low	40.1	Very low	27 Å²	27	77.6 Å²	77.6	14%	0.138	42%	0.423	C	S	.	.	H	α-helix	trans	-58.9	-46.1	178.3	-77.5	168.5	0	0	0	110.4	I618 L863 V867 E868 K873 H874 D875	I618-I871 HydrophobicContact CD1-CB 4.46Å; I618-I871 HydrophobicContact CD1-CG1 3.96Å; I618-I871 HydrophobicContact CD1-CG2 4.47Å; I618-I871 HydrophobicContact CG1-CG1 4.08Å; I618-I871 HydrophobicContact CG2-CG1 4.34Å; I618-I871 HydrophobicContact CG2-CG2 3.62Å; L863-I871 HydrophobicContact CD1-CD1 3.9Å; V867-I871 HydrophobicContact CG1-CD1 3.83Å; V867-I871 HydrophobicContact CG1-CG1 4.47Å; V867-I871 VanDerWaalsContact O-CB 3.28Å; V867-I871 WeakPolarHBondContact O-CB 3.24Å; V867-I871 WeakPolarHBondContact O-CG1 3.49Å; V867-I871 PolarHBondContact O-N 3.25Å; E868-I871 PolarHBondContact O-N 3.2Å; I871-K873 PolarHBondContact O-N 2.94Å; I871-H874 PolarHBondContact O-N 2.87Å; I871-D875 WeakPolarHBondContact O-CB 3.29Å; I871-D875 PolarHBondContact O-N 2.76Å
872	A	46.2	Very low	39.9	Very low	60 Å²	60	80.5 Å²	80.5	50%	0.496	44%	0.439	S	S	.	.	H	α-helix	trans	-59.4	-46.3	177.7	0	0	0	0	0	112.4	E868 F870 E876	E868-A872 WeakPolarHBondContact O-CB 3.45Å; E868-A872 PolarHBondContact O-N 3.39Å; F870-A872 VanDerWaalsContact C-N 3.33Å; F870-A872 PolarHBondContact O-N 2.98Å; A872-E876 VanDerWaalsContact O-CB 3.28Å; A872-E876 WeakPolarHBondContact O-CB 3.1Å; A872-E876 PolarHBondContact O-N 3.3Å
873	K	44.4	Very low	39.7	Very low	96 Å²	96	77 Å²	77	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-67.8	-34.7	176.1	-79.4	177.1	172.4	171.2	0	113.5	E593 E869 F870 I871 S877	E593-K873 HydrophobicContact CG-CD 4.14Å; E593-K873 WeakPolarHBondContact OE1-CD 3.28Å; E593-K873 IonicContact OE1-NZ 2.78Å; E593-K873 WeakPolarHBondContact OE2-CD 3.47Å; E593-K873 IonicContact OE2-NZ 3.49Å; E593-K873 PolarHBondContact OE2-NZ 3.46Å; E869-K873 PolarHBondContact O-N 2.97Å; E869-K873 VanDerWaalsContact O-N 3.15Å; F870-K873 PolarHBondContact O-N 3.45Å; I871-K873 PolarHBondContact O-N 2.94Å; K873-S877 VanDerWaalsContact O-CB 3.25Å; K873-S877 WeakPolarHBondContact O-CB 3.43Å; K873-S877 PolarHBondContact O-N 3.26Å; K873-S877 PolarHBondContact O-OG 2.89Å
874	H	40.7	Very low	39.4	Very low	70 Å²	70	83.5 Å²	83.5	32%	0.324	46%	0.46	S	S	.	.	H	α-helix	trans	-69.5	-44	178.1	-176.7	-81.4	0	0	0	110.7	I618 F870 I871 S877 L878	I618-H874 HydrophobicContact CD1-CB 4.06Å; I618-H874 VanDerWaalsContact CD1-ND1 3.28Å; I618-H874 WeakPolarHBondContact CD1-ND1 3.44Å; F870-H874 HydrophobicContact CD2-CB 4.36Å; F870-H874 HydrophobicContact CE2-CB 3.88Å; F870-H874 AromaticContact CE2-CD2 3.91Å; F870-H874 HydrophobicContact CZ-CB 4.16Å; F870-H874 AromaticContact CZ-CD2 3.75Å; F870-H874 WeakPolarHBondContact O-CB 3.21Å; F870-H874 PolarHBondContact O-N 2.86Å; I871-H874 PolarHBondContact O-N 2.87Å; H874-S877 PolarHBondContact O-N 2.91Å; H874-L878 VanDerWaalsContact CE1-CD1 3.44Å; H874-L878 WeakPolarHBondContact CE1-CD1 3.37Å; H874-L878 WeakPolarHBondContact O-CB 3.4Å; H874-L878 PolarHBondContact O-N 3.35Å
875	D	40.7	Very low	38.9	Very low	39 Å²	39	86.5 Å²	86.5	21%	0.209	47%	0.472	C	S	.	.	H	α-helix	trans	-69.1	-34.8	174.9	-72.6	-1.7	0	0	0	111.6	Q622 I871 S879	Q622-D875 PolarHBondContact NE2-OD2 2.67Å; I871-D875 WeakPolarHBondContact O-CB 3.29Å; I871-D875 PolarHBondContact O-N 2.76Å; D875-S879 VanDerWaalsContact O-CB 3.24Å; D875-S879 WeakPolarHBondContact O-CB 3.22Å; D875-S879 PolarHBondContact O-N 2.69Å; D875-S879 PolarHBondContact O-OG 2.99Å
876	E	44	Very low	38.3	Very low	100 Å²	100	87 Å²	87	47%	0.467	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-41.3	169.6	-171.3	-171.6	168.1	0	0	111.4	A872 S879 K880	A872-E876 VanDerWaalsContact O-CB 3.28Å; A872-E876 WeakPolarHBondContact O-CB 3.1Å; A872-E876 PolarHBondContact O-N 3.3Å; E876-S879 PolarHBondContact O-N 2.6Å; E876-K880 HydrophobicContact CG-CD 4.4Å; E876-K880 WeakPolarHBondContact O-CB 3.11Å; E876-K880 VanDerWaalsContact O-CG 3.29Å; E876-K880 WeakPolarHBondContact O-CG 3.49Å; E876-K880 PolarHBondContact O-N 2.93Å; E876-K880 WeakPolarHBondContact OE1-CE 3.18Å; E876-K880 IonicContact OE1-NZ 3.82Å; E876-K880 PolarHBondContact OE1-NZ 2.81Å
877	S	40.8	Very low	38	Very low	72 Å²	72	89.3 Å²	89.3	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-72.6	-39.2	179.5	-59	0	0	0	0	112.4	K873 H874 K880 A881	K873-S877 VanDerWaalsContact O-CB 3.25Å; K873-S877 WeakPolarHBondContact O-CB 3.43Å; K873-S877 PolarHBondContact O-N 3.26Å; K873-S877 PolarHBondContact O-OG 2.89Å; H874-S877 PolarHBondContact O-N 2.91Å; S877-K880 PolarHBondContact O-N 2.85Å; S877-A881 WeakPolarHBondContact O-CB 3.32Å; S877-A881 PolarHBondContact O-N 3.09Å
878	L	36.2	Very low	37.5	Very low	58 Å²	58	94.4 Å²	94.4	30%	0.304	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-42.4	170.7	-87.3	177.2	0	0	0	111.1	H874 K880 A881 L882	H874-L878 VanDerWaalsContact CE1-CD1 3.44Å; H874-L878 WeakPolarHBondContact CE1-CD1 3.37Å; H874-L878 WeakPolarHBondContact O-CB 3.4Å; H874-L878 PolarHBondContact O-N 3.35Å; L878-K880 VanDerWaalsContact C-N 3.29Å; L878-K880 PolarHBondContact O-N 2.98Å; L878-A881 CarbonylContact O-C 3.36Å; L878-A881 PolarHBondContact O-N 2.88Å; L878-A881 VanDerWaalsContact O-N 3.08Å; L878-L882 HydrophobicContact CD2-CD1 4.26Å; L878-L882 VanDerWaalsContact O-CB 3.3Å; L878-L882 WeakPolarHBondContact O-CB 3.39Å; L878-L882 WeakPolarHBondContact O-CG 3.48Å; L878-L882 PolarHBondContact O-N 2.99Å
879	S	37.1	Very low	36.8	Very low	81 Å²	81	96.9 Å²	96.9	57%	0.566	52%	0.519	S	S	*	.	H	α-helix	trans	-61.7	-38.5	176.3	-59.8	0	0	0	0	111.6	D875 E876 G883	D875-S879 VanDerWaalsContact O-CB 3.24Å; D875-S879 WeakPolarHBondContact O-CB 3.22Å; D875-S879 PolarHBondContact O-N 2.69Å; D875-S879 PolarHBondContact O-OG 2.99Å; E876-S879 PolarHBondContact O-N 2.6Å; S879-G883 WeakPolarHBondContact O-CA 3.23Å; S879-G883 PolarHBondContact O-N 2.91Å
880	K	42.4	Very low	36.1	Very low	130 Å²	130	98.3 Å²	98.3	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-71.1	-26.6	173	-72.7	169.4	-176.4	173.6	0	114	E876 S877 L878	E876-K880 HydrophobicContact CG-CD 4.4Å; E876-K880 WeakPolarHBondContact O-CB 3.11Å; E876-K880 VanDerWaalsContact O-CG 3.29Å; E876-K880 WeakPolarHBondContact O-CG 3.49Å; E876-K880 PolarHBondContact O-N 2.93Å; E876-K880 WeakPolarHBondContact OE1-CE 3.18Å; E876-K880 IonicContact OE1-NZ 3.82Å; E876-K880 PolarHBondContact OE1-NZ 2.81Å; S877-K880 PolarHBondContact O-N 2.85Å; L878-K880 VanDerWaalsContact C-N 3.29Å; L878-K880 PolarHBondContact O-N 2.98Å
881	A	35.7	Very low	35.5	Very low	80 Å²	80	103.2 Å²	103.2	66%	0.661	56%	0.558	S	S	*	*	H	α-helix	trans	-87.2	-23.1	177.8	0	0	0	0	0	113.7	S877 L878	S877-A881 WeakPolarHBondContact O-CB 3.32Å; S877-A881 PolarHBondContact O-N 3.09Å; L878-A881 CarbonylContact O-C 3.36Å; L878-A881 PolarHBondContact O-N 2.88Å; L878-A881 VanDerWaalsContact O-N 3.08Å
882	L	31.3	Very low	34.9	Very low	144 Å²	144	105.7 Å²	105.7	75%	0.754	58%	0.582	S	S	*	*	H	α-helix	trans	-106.3	-10.1	-179.4	-63.3	172.3	0	0	0	113.2	L878	L878-L882 HydrophobicContact CD2-CD1 4.26Å; L878-L882 VanDerWaalsContact O-CB 3.3Å; L878-L882 WeakPolarHBondContact O-CB 3.39Å; L878-L882 WeakPolarHBondContact O-CG 3.48Å; L878-L882 PolarHBondContact O-N 2.99Å
883	G	31.7	Very low	34.1	Very low	43 Å²	43	111.5 Å²	111.5	44%	0.443	60%	0.596	S	S	.	*			trans	-114.1	106.2	179	0	0	0	0	0	112.7	S879	S879-G883 WeakPolarHBondContact O-CA 3.23Å; S879-G883 PolarHBondContact O-N 2.91Å
884	H	31.7	Very low	33.4	Very low	172 Å²	172	113.6 Å²	113.6	80%	0.796	61%	0.607	S	S	*	*			trans	-128.1	96	156.4	-93.2	31.7	0	0	0	107.9
885	D	30.1	Very low	32.8	Very low	136 Å²	136	115.4 Å²	115.4	73%	0.727	62%	0.619	S	S	*	*				-167.4	131.7	97.9	-89.6	-20.3	0	0	0	110
886	H	28.3	Very low	32.3	Very low	145 Å²	145	119 Å²	119	67%	0.671	64%	0.638	S	S	*	*				174.9	118.2	124.7	-94.2	-62.6	0	0	0	112.3
887	D	29.3	Very low	31.7	Very low	132 Å²	132	121.4 Å²	121.4	71%	0.706	65%	0.647	S	S	*	*			trans	73.4	98.9	141.7	-52.4	2.1	0	0	0	120.5
888	E	28.7	Very low	31.2	Very low	168 Å²	168	123.9 Å²	123.9	79%	0.785	66%	0.655	S	S	*	*			trans	72.1	118.1	133	-56.4	-155.8	123.2	0	0	122.8
889	L	27.3	Very low	30.9	Very low	129 Å²	129	127.7 Å²	127.7	68%	0.675	68%	0.676	S	S	*	*				45.3	134.7	122.3	-62	152.8	0	0	0	119
890	V	28.7	Very low	30.5	Very low	123 Å²	123	127.3 Å²	127.3	75%	0.745	67%	0.673	S	S	*	*				-162.7	152.8	66.2	159	0	0	0	0	112.3
891	H	28.7	Very low	30	Very low	163 Å²	163	128.4 Å²	128.4	76%	0.755	68%	0.68	S	S	*	*			trans	-26.4	170.2	164.7	-50.1	-49.9	0	0	0	121.1
892	A	29.7	Very low	29.7	Very low	78 Å²	78	132.9 Å²	132.9	65%	0.645	68%	0.684	S	S	*	*			cis	173.8	171.6	-28.5	0	0	0	0	0	109.4
893	K	28.1	Very low	29.7	Very low	183 Å²	183	129.1 Å²	129.1	80%	0.796	68%	0.681	S	S	*	*			trans	68.4	165.4	160.3	-66.1	178.1	160.6	-164.6	0	115.9
894	Q	30.7	Very low	29.5	Very low	139 Å²	139	135.5 Å²	135.5	65%	0.65	70%	0.699	S	S	*	*			cis	-168.1	162.2	-18.4	-108.1	-176.9	-97	0	0	106.5
895	N	28.6	Very low	29.5	Very low	108 Å²	108	132.3 Å²	132.3	58%	0.578	70%	0.696	S	S	*	*			cis	-163.9	170.9	-11.4	-139.3	40.5	0	0	0	108.1
896	D	30.1	Very low	29.4	Very low	115 Å²	115	133.8 Å²	133.8	62%	0.615	70%	0.704	S	S	*	*			trans	64.9	151.5	147.4	-66.5	-17.4	0	0	0	120
897	K	30.1	Very low	29.5	Very low	150 Å²	150	130.3 Å²	130.3	65%	0.652	71%	0.707	S	S	*	*			cis	-168.2	163.3	-3.1	-112.5	171.2	174.8	179.9	0	112.6
898	D	30.7	Very low	29.8	Very low	125 Å²	125	129.6 Å²	129.6	67%	0.668	71%	0.71	S	S	*	*			trans	43.1	146.7	137.1	-47.1	-17.5	0	0	0	121.3
899	D	29.9	Very low	30	Very low	138 Å²	138	129.4 Å²	129.4	74%	0.738	71%	0.714	S	S	*	*			cis	-159.7	159.5	1.7	-140.5	-21.1	0	0	0	116.3
900	S	29.7	Very low	30.1	Very low	72 Å²	72	127.7 Å²	127.7	50%	0.503	72%	0.718	S	S	.	*			trans	42.5	126.7	141.4	73.9	0	0	0	0	126.2
901	Q	31.7	Very low	30.4	Very low	153 Å²	153	127.5 Å²	127.5	72%	0.715	72%	0.719	S	S	*	*				74.4	155.6	122.7	-66.4	174.3	48.3	0	0	120.3
902	K	29.9	Very low	30.3	Very low	174 Å²	174	128.9 Å²	128.9	76%	0.757	73%	0.726	S	S	*	*			cis	-161.8	167.3	-0.7	-128.4	168.2	-171.6	154.1	0	113.2
903	G	29.5	Very low	30.3	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	74%	0.736	S	S	*	*			trans	94.4	112.7	156.2	0	0	0	0	0	115.2
904	E	29.4	Very low	30.1	Very low	178 Å²	178	127.8 Å²	127.8	83%	0.832	74%	0.737	S	S	*	*			cis	101.9	137.4	28.6	-72.9	-162	113.2	0	0	115.5
905	S	29.9	Very low	30.2	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	75%	0.747	S	S	*	*			trans	73.5	153.7	158.6	82.4	0	0	0	0	118.9
906	N	29.5	Very low	30	Very low	168 Å²	168	130.5 Å²	130.5	90%	0.898	76%	0.761	S	S	*	*			cis	-167.1	157.1	-30.8	-102.1	-29.3	0	0	0	108.6
907	G	30.4	Very low	29.9	Very low	71 Å²	71	134.4 Å²	134.4	73%	0.732	77%	0.773	S	S	*	*			trans	142.2	98.7	161.7	0	0	0	0	0	117.5
908	P	35.1	Very low	29.7	Very low	118 Å²	118	136.1 Å²	136.1	77%	0.766	78%	0.78	S	S	*	*			trans	-96.2	162.3	171.5	37.5	-33.5	0	0	0	112.7
909	N	33	Very low	29.4	Very low	163 Å²	163	136.3 Å²	136.3	87%	0.872	79%	0.788	S	S	*	*			trans	-166	122.5	146.4	-109.1	-37	0	0	0	116.7
910	A	29.4	Very low	29	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	79%	0.79	S	S	*	*			trans	58	144.3	144.4	0	0	0	0	0	123.3
911	P	33.4	Very low	28.7	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	80%	0.802	S	S	*	*			trans	-116.1	168.7	-177.9	42.7	-33.8	0	0	0	114.9
912	Q	28.3	Very low	28.5	Very low	193 Å²	193	137.1 Å²	137.1	90%	0.902	80%	0.803	S	S	*	*			trans	-164.7	162.2	153.1	-120	172.7	46.3	0	0	117.4
913	S	29.5	Very low	28.4	Very low	120 Å²	120	137.6 Å²	137.6	84%	0.839	81%	0.807	S	S	*	*			trans	79.7	134	166.5	80.8	0	0	0	0	119
914	S	24.4	Very low	28.5	Very low	117 Å²	117	139 Å²	139	82%	0.818	81%	0.806	S	S	*	*			trans	-106.5	139.8	-176.6	50.3	0	0	0	0	111.8
915	K	31.4	Very low	29.3	Very low	200 Å²	200	134.2 Å²	134.2	87%	0.87	79%	0.792	S	S	*	*			trans	-136	135	162.2	-74.6	-174.6	177.3	174.8	0	109.5	K917	K915-K917 PolarHBondContact O-N 3Å
916	A	25.3	Very low	30.1	Very low	105 Å²	105	133 Å²	133	87%	0.868	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.9	123.1	-176.5	0	0	0	0	0	111.1	K918	A916-K918 PolarHBondContact O-N 2.62Å
917	K	27.4	Very low	31.4	Very low	197 Å²	197	125.7 Å²	125.7	86%	0.857	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-75.9	123.3	169.5	-71.8	-173.1	176.4	-178	0	108.8	K915	K915-K917 PolarHBondContact O-N 3Å
918	K	25.6	Very low	33	Very low	185 Å²	185	122.6 Å²	122.6	80%	0.804	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-55.1	150.6	161.2	-67.4	-178.7	177.8	-178.1	0	108.9	A916 V920	A916-K918 PolarHBondContact O-N 2.62Å; K918-V920 PolarHBondContact O-N 2.92Å
919	P	23.9	Very low	34.2	Very low	129 Å²	129	123.1 Å²	123.1	84%	0.838	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.6	129.1	171.4	24.9	-33.8	0	0	0	109	C921	P919-C921 PolarHBondContact O-N 3.07Å
920	V	23.2	Very low	35.6	Very low	128 Å²	128	117.4 Å²	117.4	78%	0.776	67%	0.672	S	S	*	*			trans	-70.5	113	175.9	176.3	0	0	0	0	106.9	K918 L922	K918-V920 PolarHBondContact O-N 2.92Å; V920-L922 PolarHBondContact O-N 2.75Å; V920-L922 VanDerWaalsContact O-N 3.13Å
921	C	23.4	Very low	37.6	Very low	114 Å²	114	113.2 Å²	113.2	77%	0.77	64%	0.636	S	S	*	*			trans	-65.3	111.9	165.8	-163.1	0	0	0	0	106.9	P919 H923	P919-C921 PolarHBondContact O-N 3.07Å; C921-H923 PolarHBondContact O-N 3.18Å; C921-H923 VanDerWaalsContact O-N 3.14Å
922	L	27	Very low	39.3	Very low	139 Å²	139	109.1 Å²	109.1	73%	0.728	61%	0.606	S	S	*	*			trans	-61.2	114.7	167.7	-82.9	149.4	0	0	0	106.8	V920 C924	V920-L922 PolarHBondContact O-N 2.75Å; V920-L922 VanDerWaalsContact O-N 3.13Å; L922-C924 PolarHBondContact O-N 3.26Å
923	H	27.8	Very low	41.3	Very low	183 Å²	183	101.5 Å²	101.5	85%	0.847	57%	0.569	S	S	*	*			trans	-55.1	128.7	167.1	-93.1	-90.3	0	0	0	107.9	C921 S925	C921-H923 PolarHBondContact O-N 3.18Å; C921-H923 VanDerWaalsContact O-N 3.14Å; H923-S925 PolarHBondContact O-N 2.82Å
924	C	31.9	Very low	43.5	Very low	94 Å²	94	95.9 Å²	95.9	64%	0.635	53%	0.529	S	S	*	.			trans	-57.1	110.9	176.4	-58.5	0	0	0	0	108.9	I838 L922	I838-C924 HydrophobicContact CG2-CB 4.01Å; L922-C924 PolarHBondContact O-N 3.26Å
925	S	44.4	Very low	46	Very low	78 Å²	78	90.3 Å²	90.3	55%	0.545	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-65.1	142.4	167.5	47.6	0	0	0	0	109	H923	H923-S925 PolarHBondContact O-N 2.82Å
926	D	48.7	Very low	47.9	Very low	80 Å²	80	82.3 Å²	82.3	43%	0.428	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.5	154.5	170	-72.5	-23.1	0	0	0	110.7	E840	E840-D926 WeakPolarHBondContact CA-OD1 3.47Å; E840-D926 WeakPolarHBondContact CB-OD1 2.95Å; E840-D926 PolarHBondContact N-OD1 3.4Å
927	P	56.1	Low	50.3	Low	14 Å²	14	77.4 Å²	77.4	9%	0.091	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-61.9	143.1	174.8	7.9	-9.6	0	0	0	110.6	W841 M931 K932	W841-P927 HydrophobicContact CD2-CG 3.94Å; W841-P927 VanDerWaalsContact CE2-CG 3.42Å; W841-P927 HydrophobicContact CG-CG 4.26Å; W841-P927 HydrophobicContact CH2-CB 4.45Å; W841-P927 HydrophobicContact CH2-CG 4.41Å; W841-P927 HydrophobicContact CZ2-CB 3.86Å; W841-P927 HydrophobicContact CZ2-CG 3.68Å; P927-M931 HydrophobicContact CB-CG 4.41Å; P927-K932 WeakPolarHBondContact O-CD 3.41Å; P927-K932 WeakPolarHBondContact O-CE 3.29Å; P927-K932 PolarHBondContact O-NZ 3.16Å
928	S	63	Low	52.9	Low	6 Å²	6	68 Å²	68	4%	0.042	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.8	157.9	-174	76.4	0	0	0	0	112.6	D579 E582 S930 M931 K932	D579-S928 VanDerWaalsContact OD1-CA 3.24Å; D579-S928 WeakPolarHBondContact OD1-CA 3.46Å; D579-S928 WeakPolarHBondContact OD1-CB 3.18Å; E582-S928 WeakPolarHBondContact OE1-CB 3.06Å; E582-S928 PolarHBondContact OE1-OG 2.89Å; S928-S930 VanDerWaalsContact C-N 3.25Å; S928-S930 PolarHBondContact O-N 3.24Å; S928-M931 PolarHBondContact O-N 3.05Å; S928-M931 WeakPolarHBondContact OG-CB 3.47Å; S928-M931 PolarHBondContact OG-N 2.83Å; S928-K932 WeakPolarHBondContact O-CG 3.04Å; S928-K932 PolarHBondContact O-N 2.97Å
929	Q	61.9	Low	55.5	Low	128 Å²	128	59.2 Å²	59.2	60%	0.598	34%	0.338	S	S	*	.	H	α-helix	trans	-65.4	-32	178.3	-63.5	-65.5	-5.5	0	0	111.7	K932 W933	Q929-K932 PolarHBondContact O-N 3.11Å; Q929-W933 WeakPolarHBondContact O-CB 3.18Å; Q929-W933 PolarHBondContact O-N 2.98Å
930	S	62.2	Low	57.8	Low	44 Å²	44	56 Å²	56	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-70.9	-36.7	174.7	-49.2	0	0	0	0	112.1	E582 S928 L934	E582-S930 VanDerWaalsContact CD-OG 3.22Å; E582-S930 WeakPolarHBondContact OE1-CB 3.42Å; E582-S930 WeakPolarHBondContact OE2-CB 3.44Å; E582-S930 PolarHBondContact OE2-OG 3.25Å; S928-S930 VanDerWaalsContact C-N 3.25Å; S928-S930 PolarHBondContact O-N 3.24Å; S930-L934 WeakPolarHBondContact O-CB 3.44Å; S930-L934 PolarHBondContact O-N 3.22Å
931	M	70.4	Confident	60.3	Low	4 Å²	4	51 Å²	51	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-42.7	171.8	178.6	54	64.3	0	0	111.7	V568 R572 F577 I836 P927 S928 L934 V935	V568-M931 HydrophobicContact CG1-SD 4.49Å; R572-M931 HydrophobicContact CB-CE 4.13Å; R572-M931 HydrophobicContact CG-CE 4.3Å; F577-M931 HydrophobicContact CB-CE 3.61Å; F577-M931 HydrophobicContact CD2-CE 4.3Å; F577-M931 HydrophobicContact CG-CE 4.15Å; I836-M931 HydrophobicContact CD1-CE 4.18Å; I836-M931 HydrophobicContact CD1-SD 4.31Å; I836-M931 HydrophobicContact CG1-CE 4.21Å; I836-M931 HydrophobicContact CG1-SD 4.4Å; I836-M931 HydrophobicContact CG2-CG 4.05Å; I836-M931 HydrophobicContact CG2-SD 3.68Å; P927-M931 HydrophobicContact CB-CG 4.41Å; S928-M931 PolarHBondContact O-N 3.05Å; S928-M931 WeakPolarHBondContact OG-CB 3.47Å; S928-M931 PolarHBondContact OG-N 2.83Å; M931-L934 PolarHBondContact O-N 2.94Å; M931-V935 HydrophobicContact CG-CG2 4.45Å; M931-V935 WeakPolarHBondContact O-CB 3.39Å; M931-V935 WeakPolarHBondContact O-CG2 3.26Å; M931-V935 PolarHBondContact O-N 2.88Å; M931-V935 HydrophobicContact SD-CG2 3.7Å
932	K	68.6	Low	63	Low	33 Å²	33	45.6 Å²	45.6	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-48.5	174.5	-75.7	161	172.8	152.5	0	111.5	W841 P927 S928 Q929 L934 V935 D936	W841-K932 HydrophobicContact CE3-CG 4.38Å; W841-K932 HydrophobicContact CH2-CG 4.15Å; W841-K932 HydrophobicContact CZ3-CB 4.48Å; W841-K932 HydrophobicContact CZ3-CG 3.82Å; P927-K932 WeakPolarHBondContact O-CD 3.41Å; P927-K932 WeakPolarHBondContact O-CE 3.29Å; P927-K932 PolarHBondContact O-NZ 3.16Å; S928-K932 WeakPolarHBondContact O-CG 3.04Å; S928-K932 PolarHBondContact O-N 2.97Å; Q929-K932 PolarHBondContact O-N 3.11Å; K932-L934 PolarHBondContact O-N 3.32Å; K932-V935 PolarHBondContact O-N 3.37Å; K932-D936 WeakPolarHBondContact O-CB 3.38Å; K932-D936 PolarHBondContact O-N 2.7Å
933	W	71.1	Confident	65.2	Low	34 Å²	34	39.4 Å²	39.4	13%	0.129	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-46.8	174.8	171.6	85.2	0	0	0	112.3	W620 V621 I624 Q929 D936 I937	W620-W933 HydrophobicContact CZ3-CH2 4.38Å; W620-W933 HydrophobicContact CZ3-CZ3 4.28Å; V621-W933 HydrophobicContact CB-CH2 4.27Å; V621-W933 HydrophobicContact CB-CZ2 4.44Å; V621-W933 HydrophobicContact CG1-CH2 4.12Å; V621-W933 HydrophobicContact CG1-CZ2 3.84Å; V621-W933 HydrophobicContact CG2-CH2 3.77Å; V621-W933 HydrophobicContact CG2-CZ2 4.34Å; V621-W933 HydrophobicContact CG2-CZ3 4.28Å; I624-W933 HydrophobicContact CG2-CH2 4.06Å; I624-W933 HydrophobicContact CG2-CZ2 3.94Å; Q929-W933 WeakPolarHBondContact O-CB 3.18Å; Q929-W933 PolarHBondContact O-N 2.98Å; W933-D936 PolarHBondContact O-N 3.02Å; W933-I937 HydrophobicContact CD2-CD1 3.78Å; W933-I937 HydrophobicContact CE3-CD1 4.42Å; W933-I937 HydrophobicContact CG-CD1 4.16Å; W933-I937 HydrophobicContact CH2-CD1 4.1Å; W933-I937 HydrophobicContact CZ2-CD1 3.41Å; W933-I937 VanDerWaalsContact CZ2-CD1 3.41Å; W933-I937 VanDerWaalsContact NE1-CD1 3.33Å; W933-I937 PolarHBondContact O-N 3.3Å; W933-I937 VanDerWaalsContact O-N 3.12Å
934	L	75.8	Confident	67.4	Low	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-46.2	178.4	-178.8	69.1	0	0	0	111.8	L571 F577 W620 S930 M931 K932 I937 C938	L571-L934 HydrophobicContact CB-CD2 4.18Å; L571-L934 HydrophobicContact CD1-CD1 4.13Å; L571-L934 HydrophobicContact CD1-CD2 4.2Å; F577-L934 HydrophobicContact CD2-CD2 4.21Å; F577-L934 HydrophobicContact CE1-CD2 4.48Å; F577-L934 HydrophobicContact CE2-CD2 3.67Å; F577-L934 HydrophobicContact CZ-CD2 3.78Å; W620-L934 HydrophobicContact CH2-CD1 4.2Å; S930-L934 WeakPolarHBondContact O-CB 3.44Å; S930-L934 PolarHBondContact O-N 3.22Å; M931-L934 PolarHBondContact O-N 2.94Å; K932-L934 PolarHBondContact O-N 3.32Å; L934-I937 PolarHBondContact O-N 3.34Å; L934-C938 WeakPolarHBondContact O-CB 3.37Å; L934-C938 PolarHBondContact O-N 3.26Å; L934-C938 PolarHBondContact O-SG 3.15Å
935	V	78.1	Confident	69	Low	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-39.1	-179.5	170.4	0	0	0	0	111.6	V568 W841 M931 K932 I937 C938 A939 I947 L950 L951	V568-V935 HydrophobicContact CG1-CG2 4.12Å; W841-V935 HydrophobicContact CH2-CB 3.97Å; W841-V935 HydrophobicContact CH2-CG1 4.03Å; W841-V935 HydrophobicContact CH2-CG2 4.01Å; W841-V935 HydrophobicContact CZ3-CB 4.37Å; W841-V935 HydrophobicContact CZ3-CG1 4.2Å; M931-V935 HydrophobicContact CG-CG2 4.45Å; M931-V935 WeakPolarHBondContact O-CB 3.39Å; M931-V935 WeakPolarHBondContact O-CG2 3.26Å; M931-V935 PolarHBondContact O-N 2.88Å; M931-V935 HydrophobicContact SD-CG2 3.7Å; K932-V935 PolarHBondContact O-N 3.37Å; V935-I937 VanDerWaalsContact C-N 3.33Å; V935-I937 PolarHBondContact O-N 3.32Å; V935-C938 PolarHBondContact O-N 3.28Å; V935-A939 WeakPolarHBondContact O-CB 3.37Å; V935-A939 PolarHBondContact O-N 2.83Å; V935-I947 HydrophobicContact CG1-CG2 3.82Å; V935-L950 HydrophobicContact CG1-CD2 4.35Å; V935-L951 HydrophobicContact CG1-CD2 4.11Å; V935-L951 HydrophobicContact CG1-CG 4.48Å
936	D	70.9	Confident	70.1	Confident	32 Å²	32	27.3 Å²	27.3	17%	0.171	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-43.7	173.8	-89	33.7	0	0	0	111.2	R854 K932 W933 M940 I947	R854-D936 IonicContact NH1-OD2 3.21Å; K932-D936 WeakPolarHBondContact O-CB 3.38Å; K932-D936 PolarHBondContact O-N 2.7Å; W933-D936 PolarHBondContact O-N 3.02Å; D936-M940 PolarHBondContact O-N 3.13Å; D936-M940 VanDerWaalsContact O-N 3.1Å; D936-I947 WeakPolarHBondContact OD1-CD1 3.11Å; D936-I947 VanDerWaalsContact OD1-CG1 3.32Å; D936-I947 WeakPolarHBondContact OD1-CG1 3.4Å
937	I	74.2	Confident	71.2	Confident	3 Å²	3	24 Å²	24	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-69.4	-47.3	177.3	-75.6	160.9	0	0	0	111.7	I624 W933 L934 V935 A939 M940 I941	I624-I937 HydrophobicContact CG2-CD1 3.76Å; I624-I937 HydrophobicContact CG2-CG2 3.96Å; W933-I937 HydrophobicContact CD2-CD1 3.78Å; W933-I937 HydrophobicContact CE3-CD1 4.42Å; W933-I937 HydrophobicContact CG-CD1 4.16Å; W933-I937 HydrophobicContact CH2-CD1 4.1Å; W933-I937 HydrophobicContact CZ2-CD1 3.41Å; W933-I937 VanDerWaalsContact CZ2-CD1 3.41Å; W933-I937 VanDerWaalsContact NE1-CD1 3.33Å; W933-I937 PolarHBondContact O-N 3.3Å; W933-I937 VanDerWaalsContact O-N 3.12Å; L934-I937 PolarHBondContact O-N 3.34Å; V935-I937 VanDerWaalsContact C-N 3.33Å; V935-I937 PolarHBondContact O-N 3.32Å; I937-A939 VanDerWaalsContact C-N 3.27Å; I937-A939 PolarHBondContact O-N 2.68Å; I937-M940 WeakPolarHBondContact O-CA 3.33Å; I937-M940 WeakPolarHBondContact O-CB 3.36Å; I937-M940 PolarHBondContact O-N 3.27Å; I937-I941 HydrophobicContact CG2-CD1 3.68Å; I937-I941 HydrophobicContact CG2-CG1 4.37Å; I937-I941 WeakPolarHBondContact O-CG1 3.36Å; I937-I941 PolarHBondContact O-N 3.14Å
938	C	82.7	Confident	72	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-38.9	178.7	-68.7	0	0	0	0	111.4	M564 V568 L934 V935 I941 C942 L950	M564-C938 HydrophobicContact CG-CB 3.78Å; M564-C938 HydrophobicContact SD-CB 3.65Å; V568-C938 HydrophobicContact CG2-CB 3.64Å; V568-C938 VanDerWaalsContact CG2-SG 3.6Å; L934-C938 WeakPolarHBondContact O-CB 3.37Å; L934-C938 PolarHBondContact O-N 3.26Å; L934-C938 PolarHBondContact O-SG 3.15Å; V935-C938 PolarHBondContact O-N 3.28Å; C938-I941 PolarHBondContact O-N 3.5Å; C938-C942 PolarHBondContact O-N 2.9Å; C938-C942 PolarHBondContact O-SG 2.83Å; C938-L950 HydrophobicContact CB-CD2 3.84Å
939	A	79.5	Confident	72.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-38.1	172.6	0	0	0	0	0	112.6	W851 V935 I937 G943 A944 L950	W851-A939 HydrophobicContact CH2-CB 4.38Å; V935-A939 WeakPolarHBondContact O-CB 3.37Å; V935-A939 PolarHBondContact O-N 2.83Å; I937-A939 VanDerWaalsContact C-N 3.27Å; I937-A939 PolarHBondContact O-N 2.68Å; A939-G943 PolarHBondContact O-N 2.8Å; A939-G943 VanDerWaalsContact O-N 3.14Å; A939-A944 HydrophobicContact CB-CB 3.99Å; A939-A944 PolarHBondContact O-N 2.6Å; A939-L950 HydrophobicContact CB-CD2 4.05Å
940	M	74	Confident	73.5	Confident	62 Å²	62	27.8 Å²	27.8	31%	0.305	14%	0.143	S	C	.	.	H	α-helix	trans	-65.5	-45.6	174.5	-162.1	-167.5	-49.5	0	0	111.8	D936 I937 G943	D936-M940 PolarHBondContact O-N 3.13Å; D936-M940 VanDerWaalsContact O-N 3.1Å; I937-M940 WeakPolarHBondContact O-CA 3.33Å; I937-M940 WeakPolarHBondContact O-CB 3.36Å; I937-M940 PolarHBondContact O-N 3.27Å; M940-G943 PolarHBondContact O-N 2.73Å
941	I	75.5	Confident	74.3	Confident	21 Å²	21	26.4 Å²	26.4	11%	0.108	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-51.6	-178.1	-66	166.6	0	0	0	110.8	K436 L515 M564 F628 I937 C938 G943	K436-I941 WeakPolarHBondContact CE-O 3.38Å; L515-I941 HydrophobicContact CD2-CD1 3.49Å; L515-I941 VanDerWaalsContact CD2-CD1 3.49Å; L515-I941 HydrophobicContact CG-CD1 4.34Å; M564-I941 HydrophobicContact CE-CB 3.9Å; M564-I941 HydrophobicContact CE-CG2 3.54Å; F628-I941 HydrophobicContact CD1-CD1 4.37Å; F628-I941 HydrophobicContact CD1-CG1 3.85Å; F628-I941 HydrophobicContact CD2-CD1 3.89Å; F628-I941 HydrophobicContact CD2-CG1 4.24Å; F628-I941 HydrophobicContact CE1-CD1 4.07Å; F628-I941 HydrophobicContact CE1-CG1 3.68Å; F628-I941 HydrophobicContact CE2-CD1 3.54Å; F628-I941 HydrophobicContact CE2-CG1 4.08Å; F628-I941 HydrophobicContact CG-CD1 4.28Å; F628-I941 HydrophobicContact CG-CG1 4.13Å; F628-I941 HydrophobicContact CZ-CD1 3.64Å; F628-I941 HydrophobicContact CZ-CG1 3.79Å; I937-I941 HydrophobicContact CG2-CD1 3.68Å; I937-I941 HydrophobicContact CG2-CG1 4.37Å; I937-I941 WeakPolarHBondContact O-CG1 3.36Å; I937-I941 PolarHBondContact O-N 3.14Å; C938-I941 PolarHBondContact O-N 3.5Å; I941-G943 PolarHBondContact O-N 3.19Å
942	C	79.2	Confident	74.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2	178.7	72.5	0	0	0	0	113.9	R558 E560 M564 C938 A944	R558-C942 PolarHBondContact NH2-O 2.83Å; E560-C942 HydrophobicContact CG-CB 4.37Å; E560-C942 WeakPolarHBondContact CG-O 3.2Å; E560-C942 WeakPolarHBondContact O-CB 3.29Å; M564-C942 HydrophobicContact CB-CB 3.72Å; M564-C942 HydrophobicContact CE-CB 4.33Å; M564-C942 HydrophobicContact CG-CB 4Å; C938-C942 PolarHBondContact O-N 2.9Å; C938-C942 PolarHBondContact O-SG 2.83Å; C942-A944 VanDerWaalsContact C-N 3.34Å; C942-A944 PolarHBondContact O-N 2.99Å
943	G	73	Confident	75.1	Confident	10 Å²	10	28.1 Å²	28.1	10%	0.103	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	40	-176.3	0	0	0	0	0	113.1	R558 A939 M940 I941 S945	R558-G943 PolarHBondContact NH1-O 2.79Å; R558-G943 PolarHBondContact NH2-O 3.41Å; A939-G943 PolarHBondContact O-N 2.8Å; A939-G943 VanDerWaalsContact O-N 3.14Å; M940-G943 PolarHBondContact O-N 2.73Å; I941-G943 PolarHBondContact O-N 3.19Å; G943-S945 PolarHBondContact O-N 3.43Å
944	A	74.4	Confident	75.5	Confident	3 Å²	3	26.5 Å²	26.5	3%	0.025	14%	0.138	C	C	.	.			trans	-68.6	121.2	164.5	0	0	0	0	0	108.2	V561 A939 C942 N946 L950	V561-A944 HydrophobicContact CG1-CB 4.39Å; A939-A944 HydrophobicContact CB-CB 3.99Å; A939-A944 PolarHBondContact O-N 2.6Å; C942-A944 VanDerWaalsContact C-N 3.34Å; C942-A944 PolarHBondContact O-N 2.99Å; A944-N946 PolarHBondContact O-N 2.99Å; A944-N946 VanDerWaalsContact O-N 3.08Å; A944-L950 HydrophobicContact CB-CB 4.17Å
945	S	66.1	Low	75.4	Confident	48 Å²	48	29.2 Å²	29.2	34%	0.336	15%	0.151	S	C	.	.	S	Bend	trans	-73.2	-1.4	-174.1	61.3	0	0	0	0	114.7	N481 G943	N481-S945 VanDerWaalsContact CG-OG 3.22Å; N481-S945 VanDerWaalsContact ND2-CB 3.29Å; N481-S945 WeakPolarHBondContact ND2-CB 3.21Å; N481-S945 PolarHBondContact ND2-OG 2.85Å; N481-S945 WeakPolarHBondContact OD1-CB 3.46Å; N481-S945 PolarHBondContact OD1-OG 3.12Å; G943-S945 PolarHBondContact O-N 3.43Å
946	N	67.6	Low	75.1	Confident	50 Å²	50	30.2 Å²	30.2	27%	0.267	16%	0.158	S	C	.	.	S	Bend	trans	-162.2	140.9	171.6	-177.4	-23.2	0	0	0	106.5	A944 R948 S949	A944-N946 PolarHBondContact O-N 2.99Å; A944-N946 VanDerWaalsContact O-N 3.08Å; N946-R948 PolarHBondContact O-N 3.07Å; N946-R948 VanDerWaalsContact O-N 3.08Å; N946-R948 WeakPolarHBondContact OD1-CB 3.25Å; N946-R948 PolarHBondContact OD1-N 2.68Å; N946-S949 WeakPolarHBondContact O-CB 3.38Å; N946-S949 PolarHBondContact O-N 3.38Å
947	I	71.6	Confident	75.3	Confident	10 Å²	10	28.7 Å²	28.7	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-40.1	-44.4	166.4	-67.9	144.5	0	0	0	111.7	W841 W851 V935 D936 S949 L950 L951	W841-I947 HydrophobicContact CE3-CG2 4.08Å; W841-I947 HydrophobicContact CZ3-CG2 4.05Å; W851-I947 HydrophobicContact CH2-CG1 4.15Å; W851-I947 HydrophobicContact CZ2-CD1 3.63Å; W851-I947 HydrophobicContact CZ2-CG1 3.61Å; V935-I947 HydrophobicContact CG1-CG2 3.82Å; D936-I947 WeakPolarHBondContact OD1-CD1 3.11Å; D936-I947 VanDerWaalsContact OD1-CG1 3.32Å; D936-I947 WeakPolarHBondContact OD1-CG1 3.4Å; I947-S949 PolarHBondContact O-N 2.83Å; I947-S949 VanDerWaalsContact O-N 3.08Å; I947-L950 PolarHBondContact O-N 2.87Å; I947-L951 HydrophobicContact CG2-CD1 3.61Å; I947-L951 HydrophobicContact CG2-CG 3.87Å; I947-L951 PolarHBondContact O-N 2.77Å
948	R	73.3	Confident	75.3	Confident	184 Å²	184	28.6 Å²	28.6	69%	0.694	15%	0.149	S	C	*	.	H	α-helix	trans	-55.9	-29.2	-179.4	-161.3	174.5	-165	157.9	7.9	113.6	N946 T952	N946-R948 PolarHBondContact O-N 3.07Å; N946-R948 VanDerWaalsContact O-N 3.08Å; N946-R948 WeakPolarHBondContact OD1-CB 3.25Å; N946-R948 PolarHBondContact OD1-N 2.68Å; R948-T952 WeakPolarHBondContact O-CG2 3.45Å; R948-T952 PolarHBondContact O-N 3.26Å; R948-T952 PolarHBondContact O-OG1 2.85Å; R948-T952 VanDerWaalsContact O-OG1 3.05Å
949	S	72.1	Confident	74.6	Confident	44 Å²	44	33.5 Å²	33.5	31%	0.308	17%	0.167	S	C	.	.	H	α-helix	trans	-72.5	-33.3	176.9	-165.6	0	0	0	0	112.7	N946 I947 T952	N946-S949 WeakPolarHBondContact O-CB 3.38Å; N946-S949 PolarHBondContact O-N 3.38Å; I947-S949 PolarHBondContact O-N 2.83Å; I947-S949 VanDerWaalsContact O-N 3.08Å; S949-T952 PolarHBondContact O-OG1 3Å
950	L	82.7	Confident	74.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-78.1	-41.2	173.2	-179.7	59.4	0	0	0	110.2	V561 M564 A565 V935 C938 A939 A944 I947 T952 E953 I954	V561-L950 HydrophobicContact CG1-CB 4.49Å; V561-L950 HydrophobicContact CG1-CD1 4.1Å; M564-L950 HydrophobicContact CB-CD1 4.25Å; M564-L950 HydrophobicContact CG-CD1 4.15Å; M564-L950 HydrophobicContact CG-CD2 4.33Å; A565-L950 HydrophobicContact CB-CD1 3.94Å; V935-L950 HydrophobicContact CG1-CD2 4.35Å; C938-L950 HydrophobicContact CB-CD2 3.84Å; A939-L950 HydrophobicContact CB-CD2 4.05Å; A944-L950 HydrophobicContact CB-CB 4.17Å; I947-L950 PolarHBondContact O-N 2.87Å; L950-T952 VanDerWaalsContact C-N 3.32Å; L950-T952 PolarHBondContact O-N 2.72Å; L950-E953 PolarHBondContact O-N 3.39Å; L950-E953 VanDerWaalsContact O-N 3.15Å; L950-I954 HydrophobicContact CD1-CD1 4.5Å; L950-I954 HydrophobicContact CG-CD1 4.05Å; L950-I954 WeakPolarHBondContact O-CG1 3.4Å; L950-I954 PolarHBondContact O-N 3.26Å
951	L	80.7	Confident	73.9	Confident	15 Å²	15	31 Å²	31	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-36.7	175.3	-67.7	177.6	0	0	0	113	I836 C837 W841 V935 I947 E953 I954 E955	I836-L951 HydrophobicContact CG2-CD2 4.4Å; C837-L951 PolarHBondContact SG-O 3.22Å; W841-L951 HydrophobicContact CB-CD1 4.45Å; W841-L951 HydrophobicContact CD2-CD1 3.42Å; W841-L951 VanDerWaalsContact CD2-CD1 3.42Å; W841-L951 HydrophobicContact CD2-CD2 4.36Å; W841-L951 HydrophobicContact CE3-CD1 3.77Å; W841-L951 HydrophobicContact CG-CD1 3.71Å; W841-L951 HydrophobicContact CH2-CD1 4.47Å; W841-L951 HydrophobicContact CH2-CD2 3.95Å; W841-L951 HydrophobicContact CZ2-CD1 4.18Å; W841-L951 HydrophobicContact CZ2-CD2 3.54Å; W841-L951 HydrophobicContact CZ3-CD1 4.28Å; W841-L951 HydrophobicContact CZ3-CD2 4.49Å; V935-L951 HydrophobicContact CG1-CD2 4.11Å; V935-L951 HydrophobicContact CG1-CG 4.48Å; I947-L951 HydrophobicContact CG2-CD1 3.61Å; I947-L951 HydrophobicContact CG2-CG 3.87Å; I947-L951 PolarHBondContact O-N 2.77Å; L951-E953 VanDerWaalsContact C-N 3.34Å; L951-E953 PolarHBondContact O-N 2.79Å; L951-I954 HydrophobicContact CD2-CD1 4.41Å; L951-I954 PolarHBondContact O-N 3.38Å; L951-E955 WeakPolarHBondContact O-CB 3.25Å; L951-E955 PolarHBondContact O-N 2.88Å
952	T	74.2	Confident	73.4	Confident	60 Å²	60	35.9 Å²	35.9	37%	0.368	18%	0.176	S	C	.	.	H	α-helix	trans	-66.1	-34.3	175.4	41.7	0	0	0	0	113	R948 S949 L950 C956	R948-T952 WeakPolarHBondContact O-CG2 3.45Å; R948-T952 PolarHBondContact O-N 3.26Å; R948-T952 PolarHBondContact O-OG1 2.85Å; R948-T952 VanDerWaalsContact O-OG1 3.05Å; S949-T952 PolarHBondContact O-OG1 3Å; L950-T952 VanDerWaalsContact C-N 3.32Å; L950-T952 PolarHBondContact O-N 2.72Å; T952-C956 WeakPolarHBondContact O-CB 3.33Å; T952-C956 PolarHBondContact O-N 3.2Å; T952-C956 PolarHBondContact O-SG 3.1Å
953	E	80.2	Confident	72.7	Confident	13 Å²	13	37.1 Å²	37.1	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-71.8	-39.8	174	-60.2	-53.5	151.9	0	0	111.4	R555 V561 A565 L950 L951 C956 L957	R555-E953 WeakPolarHBondContact CD-OE1 3.3Å; R555-E953 WeakPolarHBondContact CG-OE1 3.25Å; R555-E953 IonicContact CZ-OE1 3.95Å; R555-E953 IonicContact CZ-OE2 2.69Å; R555-E953 VanDerWaalsContact CZ-OE2 3.3Å; R555-E953 VanDerWaalsContact NE-CD 3.34Å; R555-E953 IonicContact NE-OE1 3.32Å; R555-E953 PolarHBondContact NE-OE1 2.87Å; R555-E953 IonicContact NE-OE2 2.82Å; R555-E953 PolarHBondContact NE-OE2 3.32Å; R555-E953 VanDerWaalsContact NE-OE2 3.09Å; R555-E953 IonicContact NH2-OE1 2.99Å; R555-E953 IonicContact NH2-OE2 2.6Å; R555-E953 PolarHBondContact NH2-OE2 2.79Å; V561-E953 HydrophobicContact CG1-CG 4.02Å; A565-E953 HydrophobicContact CB-CB 3.77Å; L950-E953 PolarHBondContact O-N 3.39Å; L950-E953 VanDerWaalsContact O-N 3.15Å; L951-E953 VanDerWaalsContact C-N 3.34Å; L951-E953 PolarHBondContact O-N 2.79Å; E953-C956 PolarHBondContact O-N 3.3Å; E953-L957 WeakPolarHBondContact O-CB 3.4Å; E953-L957 WeakPolarHBondContact O-CD1 3.35Å; E953-L957 VanDerWaalsContact O-CG 3.29Å; E953-L957 WeakPolarHBondContact O-CG 3.16Å; E953-L957 PolarHBondContact O-N 2.93Å
954	I	79.8	Confident	71.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-47.4	172.8	-67	168.3	0	0	0	110.4	A565 V568 I569 I836 L950 L951 C956 L957 E958	A565-I954 HydrophobicContact CB-CG1 3.66Å; V568-I954 HydrophobicContact CB-CD1 4.11Å; V568-I954 HydrophobicContact CG1-CD1 3.73Å; I569-I954 HydrophobicContact CD1-CG2 4.26Å; I569-I954 HydrophobicContact CG1-CG2 4.19Å; I836-I954 HydrophobicContact CB-CG2 3.98Å; I836-I954 HydrophobicContact CD1-CG2 4.1Å; I836-I954 HydrophobicContact CG1-CG2 4.49Å; I836-I954 HydrophobicContact CG2-CG2 4.41Å; L950-I954 HydrophobicContact CD1-CD1 4.5Å; L950-I954 HydrophobicContact CG-CD1 4.05Å; L950-I954 WeakPolarHBondContact O-CG1 3.4Å; L950-I954 PolarHBondContact O-N 3.26Å; L951-I954 HydrophobicContact CD2-CD1 4.41Å; L951-I954 PolarHBondContact O-N 3.38Å; I954-C956 PolarHBondContact O-N 3.37Å; I954-L957 PolarHBondContact O-N 3.05Å; I954-E958 HydrophobicContact CG2-CG 4.24Å; I954-E958 WeakPolarHBondContact O-CB 3.37Å; I954-E958 WeakPolarHBondContact O-CG 3.36Å; I954-E958 PolarHBondContact O-N 3.37Å
955	E	74	Confident	70.1	Confident	58 Å²	58	42 Å²	42	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-43.5	179.4	-162	-175.7	178.2	0	0	111.8	C837 L951 R959	C837-E955 HydrophobicContact CB-CB 4.3Å; C837-E955 HydrophobicContact CB-CG 4.14Å; L951-E955 WeakPolarHBondContact O-CB 3.25Å; L951-E955 PolarHBondContact O-N 2.88Å; E955-R959 WeakPolarHBondContact O-CB 3.46Å; E955-R959 WeakPolarHBondContact O-CD 3.24Å; E955-R959 WeakPolarHBondContact O-CG 3.4Å; E955-R959 PolarHBondContact O-N 3.01Å; E955-R959 IonicContact OE1-CZ 2.87Å; E955-R959 IonicContact OE1-NE 3.81Å; E955-R959 IonicContact OE1-NH2 3.67Å; E955-R959 PolarHBondContact OE1-NH2 3.29Å; E955-R959 IonicContact OE2-NH2 2.7Å
956	C	71.5	Confident	68.6	Low	21 Å²	21	49.7 Å²	49.7	14%	0.142	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-45	173.7	-80.5	0	0	0	0	111.9	T952 E953 I954 R959 L960	T952-C956 WeakPolarHBondContact O-CB 3.33Å; T952-C956 PolarHBondContact O-N 3.2Å; T952-C956 PolarHBondContact O-SG 3.1Å; E953-C956 PolarHBondContact O-N 3.3Å; I954-C956 PolarHBondContact O-N 3.37Å; C956-R959 PolarHBondContact O-N 3.04Å; C956-L960 WeakPolarHBondContact O-CB 3.21Å; C956-L960 VanDerWaalsContact O-CG 3.3Å; C956-L960 WeakPolarHBondContact O-CG 3.37Å; C956-L960 PolarHBondContact O-N 3.08Å
957	L	75.9	Confident	66.9	Low	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-43	178.4	-75.1	166.1	0	0	0	113	L532 F562 A565 L566 I569 E953 I954 R959 L960 L961	L532-L957 HydrophobicContact CD1-CD2 4.03Å; F562-L957 HydrophobicContact CE1-CD2 4.39Å; F562-L957 HydrophobicContact CE2-CD1 4.33Å; F562-L957 HydrophobicContact CE2-CD2 3.79Å; F562-L957 HydrophobicContact CE2-CG 4.04Å; F562-L957 HydrophobicContact CZ-CD2 3.6Å; F562-L957 HydrophobicContact CZ-CG 4.35Å; A565-L957 HydrophobicContact CB-CD1 3.57Å; L566-L957 HydrophobicContact CD2-CD1 3.9Å; L566-L957 HydrophobicContact CD2-CD2 3.77Å; L566-L957 HydrophobicContact CD2-CG 4.38Å; L566-L957 HydrophobicContact CG-CD1 3.75Å; L566-L957 HydrophobicContact CG-CD2 4.16Å; I569-L957 HydrophobicContact CD1-CB 3.58Å; I569-L957 HydrophobicContact CD1-CD1 4.06Å; I569-L957 HydrophobicContact CD1-CG 4.48Å; E953-L957 WeakPolarHBondContact O-CB 3.4Å; E953-L957 WeakPolarHBondContact O-CD1 3.35Å; E953-L957 VanDerWaalsContact O-CG 3.29Å; E953-L957 WeakPolarHBondContact O-CG 3.16Å; E953-L957 PolarHBondContact O-N 2.93Å; I954-L957 PolarHBondContact O-N 3.05Å; L957-R959 VanDerWaalsContact C-N 3.28Å; L957-R959 PolarHBondContact O-N 3.07Å; L957-L960 HydrophobicContact CD2-CD1 4.28Å; L957-L960 PolarHBondContact O-N 3.26Å; L957-L961 WeakPolarHBondContact O-CB 3.4Å; L957-L961 WeakPolarHBondContact O-CG 3.47Å; L957-L961 PolarHBondContact O-N 2.75Å
958	E	73	Confident	64.8	Low	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-32	176	-70.9	177.6	152	0	0	112.2	I569 Y833 S835 I836 I954 W963 H964	I569-E958 HydrophobicContact CD1-CG 4.22Å; Y833-E958 HydrophobicContact CE1-CG 4.11Å; Y833-E958 WeakPolarHBondContact CE1-OE1 3.4Å; Y833-E958 PolarHBondContact OH-OE1 3.35Å; S835-E958 WeakPolarHBondContact CA-OE1 3.37Å; S835-E958 WeakPolarHBondContact CB-OE2 3.14Å; S835-E958 PolarHBondContact OG-OE2 3.47Å; I836-E958 WeakPolarHBondContact CG1-OE1 3.5Å; I836-E958 PolarHBondContact N-OE1 3.23Å; I954-E958 HydrophobicContact CG2-CG 4.24Å; I954-E958 WeakPolarHBondContact O-CB 3.37Å; I954-E958 WeakPolarHBondContact O-CG 3.36Å; I954-E958 PolarHBondContact O-N 3.37Å; E958-W963 PolarHBondContact O-N 3.18Å; E958-H964 PolarHBondContact O-N 3.34Å
959	R	68.4	Low	62.7	Low	104 Å²	104	50.9 Å²	50.9	39%	0.392	28%	0.281	S	S	.	.	H	α-helix	trans	-71.9	-42.5	171.8	-70.8	165.6	177.8	-161.4	3	112.5	E955 C956 L957 K962	E955-R959 WeakPolarHBondContact O-CB 3.46Å; E955-R959 WeakPolarHBondContact O-CD 3.24Å; E955-R959 WeakPolarHBondContact O-CG 3.4Å; E955-R959 PolarHBondContact O-N 3.01Å; E955-R959 IonicContact OE1-CZ 2.87Å; E955-R959 IonicContact OE1-NE 3.81Å; E955-R959 IonicContact OE1-NH2 3.67Å; E955-R959 PolarHBondContact OE1-NH2 3.29Å; E955-R959 IonicContact OE2-NH2 2.7Å; C956-R959 PolarHBondContact O-N 3.04Å; L957-R959 VanDerWaalsContact C-N 3.28Å; L957-R959 PolarHBondContact O-N 3.07Å; R959-K962 PolarHBondContact O-N 3.24Å
960	L	68.8	Low	60.7	Low	8 Å²	8	52.9 Å²	52.9	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-47.8	176.5	-78	168.3	0	0	0	111.7	C956 L957 K962 D982 Y983 L986	C956-L960 WeakPolarHBondContact O-CB 3.21Å; C956-L960 VanDerWaalsContact O-CG 3.3Å; C956-L960 WeakPolarHBondContact O-CG 3.37Å; C956-L960 PolarHBondContact O-N 3.08Å; L957-L960 HydrophobicContact CD2-CD1 4.28Å; L957-L960 PolarHBondContact O-N 3.26Å; L960-K962 PolarHBondContact O-N 2.63Å; L960-K962 VanDerWaalsContact O-N 3.09Å; L960-D982 HydrophobicContact CD1-CB 4.07Å; L960-D982 HydrophobicContact CD2-CB 3.87Å; L960-D982 HydrophobicContact CG-CB 4.2Å; L960-Y983 HydrophobicContact CD2-CD1 4.06Å; L960-Y983 HydrophobicContact CD2-CE1 3.74Å; L960-L986 HydrophobicContact CD1-CD1 4.13Å
961	L	69.1	Low	58.1	Low	1 Å²	1	59.7 Å²	59.7	1%	0.005	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	5.2	179.5	-65.3	167	0	0	0	113.4	L528 R531 L532 L957 W963	L528-L961 HydrophobicContact CD1-CD1 4.36Å; R531-L961 HydrophobicContact CG-CD2 4.21Å; L532-L961 HydrophobicContact CB-CD2 4.19Å; L532-L961 HydrophobicContact CD1-CD2 3.91Å; L532-L961 HydrophobicContact CD1-CG 4.18Å; L957-L961 WeakPolarHBondContact O-CB 3.4Å; L957-L961 WeakPolarHBondContact O-CG 3.47Å; L957-L961 PolarHBondContact O-N 2.75Å; L961-W963 HydrophobicContact CB-CD2 3.92Å; L961-W963 HydrophobicContact CB-CE3 3.86Å; L961-W963 HydrophobicContact CB-CG 4.45Å; L961-W963 HydrophobicContact CB-CH2 4.43Å; L961-W963 HydrophobicContact CB-CZ3 4.13Å; L961-W963 HydrophobicContact CD1-CE3 3.95Å; L961-W963 HydrophobicContact CD1-CH2 3.83Å; L961-W963 HydrophobicContact CD1-CZ3 3.44Å; L961-W963 VanDerWaalsContact CD1-CZ3 3.44Å; L961-W963 HydrophobicContact CG-CZ3 4.36Å; L961-W963 PolarHBondContact O-N 2.76Å; L961-W963 VanDerWaalsContact O-N 3.17Å
962	K	65.7	Low	55.6	Low	124 Å²	124	63.1 Å²	63.1	54%	0.539	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	18.3	178.7	-59.3	174.2	-177.4	162.8	0	114.7	E535 R959 L960 H964	E535-K962 VanDerWaalsContact OE2-CD 3.31Å; E535-K962 WeakPolarHBondContact OE2-CD 3.49Å; E535-K962 WeakPolarHBondContact OE2-CE 3.47Å; E535-K962 IonicContact OE2-NZ 3.37Å; E535-K962 PolarHBondContact OE2-NZ 2.86Å; R959-K962 PolarHBondContact O-N 3.24Å; L960-K962 PolarHBondContact O-N 2.63Å; L960-K962 VanDerWaalsContact O-N 3.09Å; K962-H964 VanDerWaalsContact C-N 3.26Å; K962-H964 PolarHBondContact O-N 3.29Å
963	W	64.4	Low	53.6	Low	26 Å²	26	68.1 Å²	68.1	10%	0.098	39%	0.387	C	S	.	.			trans	-79.5	-3.9	178.6	-66.9	-31.8	0	0	0	114.3	L528 I569 L573 I827 Y833 E958 L961 A965	L528-W963 HydrophobicContact CD1-CH2 4.19Å; I569-W963 HydrophobicContact CG2-CH2 4.44Å; I569-W963 HydrophobicContact CG2-CZ3 3.65Å; L573-W963 HydrophobicContact CD1-CH2 3.67Å; L573-W963 HydrophobicContact CD1-CZ2 4.49Å; L573-W963 HydrophobicContact CD1-CZ3 4.05Å; L573-W963 HydrophobicContact CD2-CH2 4.47Å; I827-W963 HydrophobicContact CD1-CH2 4.43Å; I827-W963 HydrophobicContact CD1-CZ2 3.96Å; I827-W963 HydrophobicContact CG1-CZ2 4.11Å; I827-W963 HydrophobicContact CG2-CZ2 4.24Å; Y833-W963 HydrophobicContact CD1-CB 3.68Å; Y833-W963 HydrophobicContact CD1-CG 4.24Å; Y833-W963 HydrophobicContact CE1-CB 4.12Å; Y833-W963 HydrophobicContact CE1-CE3 4.26Å; Y833-W963 HydrophobicContact CE2-CE3 4.43Å; Y833-W963 HydrophobicContact CG-CB 4.25Å; Y833-W963 HydrophobicContact CG-CG 4.4Å; E958-W963 PolarHBondContact O-N 3.18Å; L961-W963 HydrophobicContact CB-CD2 3.92Å; L961-W963 HydrophobicContact CB-CE3 3.86Å; L961-W963 HydrophobicContact CB-CG 4.45Å; L961-W963 HydrophobicContact CB-CH2 4.43Å; L961-W963 HydrophobicContact CB-CZ3 4.13Å; L961-W963 HydrophobicContact CD1-CE3 3.95Å; L961-W963 HydrophobicContact CD1-CH2 3.83Å; L961-W963 HydrophobicContact CD1-CZ3 3.44Å; L961-W963 VanDerWaalsContact CD1-CZ3 3.44Å; L961-W963 HydrophobicContact CG-CZ3 4.36Å; L961-W963 PolarHBondContact O-N 2.76Å; L961-W963 VanDerWaalsContact O-N 3.17Å; W963-A965 PolarHBondContact O-N 3.18Å
964	H	52.6	Low	51.2	Low	53 Å²	53	73.3 Å²	73.3	25%	0.245	43%	0.425	C	S	.	.			trans	-71.7	64.6	170.2	-121.2	-80.9	0	0	0	112.4	E958 K962 K966	E958-H964 PolarHBondContact O-N 3.34Å; K962-H964 VanDerWaalsContact C-N 3.26Å; K962-H964 PolarHBondContact O-N 3.29Å; H964-K966 PolarHBondContact O-N 3.45Å
965	A	39.9	Very low	48.8	Very low	62 Å²	62	76.2 Å²	76.2	51%	0.512	46%	0.455	S	S	.	.			trans	-75.4	119.8	-178.4	0	0	0	0	0	112.1	W963 A967	W963-A965 PolarHBondContact O-N 3.18Å; A965-A967 PolarHBondContact O-N 2.99Å
966	K	35.5	Very low	47	Very low	211 Å²	211	80 Å²	80	92%	0.917	48%	0.477	S	S	*	.	S	Bend	trans	62.6	-6.3	163.2	-61	171	-177.4	164.1	0	118.5	H964 S968	H964-K966 PolarHBondContact O-N 3.45Å; K966-S968 PolarHBondContact O-N 2.75Å
967	A	31.5	Very low	45.8	Very low	51 Å²	51	82.5 Å²	82.5	42%	0.421	49%	0.489	S	S	.	.			trans	-63.7	124.5	168.3	0	0	0	0	0	110.3	A965 C969	A965-A967 PolarHBondContact O-N 2.99Å; A967-C969 PolarHBondContact O-N 3.29Å
968	S	26.7	Very low	44.6	Very low	124 Å²	124	86.2 Å²	86.2	87%	0.867	51%	0.513	S	S	*	.			trans	-81.9	79.7	-166.2	58.6	0	0	0	0	113.7	K966	K966-S968 PolarHBondContact O-N 2.75Å
969	C	29.4	Very low	43.9	Very low	94 Å²	94	92 Å²	92	64%	0.635	54%	0.535	S	S	*	.			trans	-75.4	121	164.4	-63.2	0	0	0	0	110.1	A967	A967-C969 PolarHBondContact O-N 3.29Å
970	S	30	Very low	43.2	Very low	86 Å²	86	92.1 Å²	92.1	60%	0.601	54%	0.54	S	S	*	.			trans	-68.3	140.5	176.6	52.3	0	0	0	0	111.3	S972	S970-S972 PolarHBondContact O-N 2.98Å; S970-S972 PolarHBondContact OG-OG 2.68Å
971	P	28.3	Very low	42.5	Very low	142 Å²	142	93.7 Å²	93.7	92%	0.922	55%	0.55	S	S	*	.	S	Bend	trans	-79.4	52.7	-176.7	34.6	-37.6	0	0	0	111.8
972	S	28.5	Very low	42.2	Very low	88 Å²	88	94.2 Å²	94.2	62%	0.615	55%	0.553	S	S	*	*			trans	-124.2	43.5	-166.3	62.5	0	0	0	0	113	S970	S970-S972 PolarHBondContact O-N 2.98Å; S970-S972 PolarHBondContact OG-OG 2.68Å
973	I	32.5	Very low	42	Very low	164 Å²	164	90.8 Å²	90.8	84%	0.841	54%	0.537	S	S	*	.			trans	-125.4	106	158.5	-59.7	-179.6	0	0	0	106.4
974	S	29.2	Very low	41.7	Very low	122 Å²	122	89.5 Å²	89.5	85%	0.853	53%	0.532	S	S	*	.			trans	-89.6	126.6	-178.5	54.3	0	0	0	0	111.2
975	G	30.6	Very low	42.3	Very low	62 Å²	62	87 Å²	87	64%	0.639	52%	0.521	S	S	*	.	S	Bend	trans	106.6	119.4	175.8	0	0	0	0	0	112.5
976	N	36.5	Very low	43.5	Very low	137 Å²	137	84.8 Å²	84.8	73%	0.733	50%	0.5	S	S	*	.	S	Bend	trans	63.3	118.2	-175.4	-55	-13.4	0	0	0	114.2	P978	N976-P978 WeakPolarHBondContact O-CD 3.48Å
977	D	46.6	Very low	44.9	Very low	74 Å²	74	77.3 Å²	77.3	40%	0.396	47%	0.474	S	S	.	.			trans	-65.3	118.9	169.5	178	-4.6	0	0	0	108.2	R979 Q980	D977-R979 PolarHBondContact O-N 3Å; D977-R979 VanDerWaalsContact OD1-CB 3.31Å; D977-R979 WeakPolarHBondContact OD1-CB 3.06Å; D977-R979 WeakPolarHBondContact OD1-CG 3.23Å; D977-R979 PolarHBondContact OD1-N 2.8Å; D977-Q980 HydrophobicContact CB-CG 4.21Å; D977-Q980 WeakPolarHBondContact O-CB 3.16Å; D977-Q980 PolarHBondContact O-N 2.76Å
978	P	50.1	Low	46.5	Very low	77 Å²	77	76 Å²	76	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-57.1	-27	-177.3	23	-34.2	0	0	0	112.4	N976 Q980 V981 D982	N976-P978 WeakPolarHBondContact O-CD 3.48Å; P978-Q980 PolarHBondContact O-N 3.31Å; P978-V981 WeakPolarHBondContact O-CB 3.49Å; P978-V981 PolarHBondContact O-N 3.5Å; P978-V981 VanDerWaalsContact O-N 3.12Å; P978-D982 PolarHBondContact O-N 2.81Å
979	R	57.1	Low	48.5	Very low	121 Å²	121	70.5 Å²	70.5	46%	0.457	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-32.8	175.6	-63.4	174.6	170.6	169.9	-1.6	112.7	D977 V981 D982 Y983	D977-R979 PolarHBondContact O-N 3Å; D977-R979 VanDerWaalsContact OD1-CB 3.31Å; D977-R979 WeakPolarHBondContact OD1-CB 3.06Å; D977-R979 WeakPolarHBondContact OD1-CG 3.23Å; D977-R979 PolarHBondContact OD1-N 2.8Å; R979-V981 VanDerWaalsContact C-N 3.3Å; R979-V981 PolarHBondContact O-N 2.99Å; R979-D982 PolarHBondContact O-N 3.39Å; R979-Y983 HydrophobicContact CB-CD2 4.18Å; R979-Y983 HydrophobicContact CB-CE2 3.68Å; R979-Y983 WeakPolarHBondContact O-CB 3.08Å; R979-Y983 WeakPolarHBondContact O-CD2 3.44Å; R979-Y983 PolarHBondContact O-N 3.18Å
980	Q	54.5	Low	50.3	Low	108 Å²	108	67.3 Å²	67.3	51%	0.505	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-34	177.9	-66.6	179.2	-3.7	0	0	112.4	D977 P978 A984	D977-Q980 HydrophobicContact CB-CG 4.21Å; D977-Q980 WeakPolarHBondContact O-CB 3.16Å; D977-Q980 PolarHBondContact O-N 2.76Å; P978-Q980 PolarHBondContact O-N 3.31Å; Q980-A984 WeakPolarHBondContact O-CB 3.39Å; Q980-A984 PolarHBondContact O-N 3.4Å
981	V	53.7	Low	51.8	Low	40 Å²	40	64.7 Å²	64.7	24%	0.242	38%	0.375	C	S	.	.	H	α-helix	trans	-71.9	-37.8	177.3	180	0	0	0	0	110.6	P552 P978 R979 A984 L985	P552-V981 HydrophobicContact CB-CG1 4.27Å; P552-V981 HydrophobicContact CG-CG1 3.81Å; P978-V981 WeakPolarHBondContact O-CB 3.49Å; P978-V981 PolarHBondContact O-N 3.5Å; P978-V981 VanDerWaalsContact O-N 3.12Å; R979-V981 VanDerWaalsContact C-N 3.3Å; R979-V981 PolarHBondContact O-N 2.99Å; V981-A984 WeakPolarHBondContact O-CB 3.47Å; V981-L985 PolarHBondContact O-N 3.07Å; V981-L985 VanDerWaalsContact O-N 3.12Å
982	D	63.1	Low	52.8	Low	12 Å²	12	63.3 Å²	63.3	6%	0.064	36%	0.36	C	S	.	.	H	α-helix	trans	-76.9	-35.5	177.4	-72.5	-39.4	0	0	0	112.6	R555 L960 P978 R979 A984 L985 L986	R555-D982 IonicContact CZ-OD1 3.12Å; R555-D982 VanDerWaalsContact CZ-OD1 3.28Å; R555-D982 IonicContact NH1-OD1 3.58Å; R555-D982 PolarHBondContact NH1-OD1 2.95Å; R555-D982 IonicContact NH2-OD1 2.67Å; R555-D982 PolarHBondContact NH2-OD1 3.19Å; L960-D982 HydrophobicContact CD1-CB 4.07Å; L960-D982 HydrophobicContact CD2-CB 3.87Å; L960-D982 HydrophobicContact CG-CB 4.2Å; P978-D982 PolarHBondContact O-N 2.81Å; R979-D982 PolarHBondContact O-N 3.39Å; D982-A984 VanDerWaalsContact C-N 3.34Å; D982-L985 WeakPolarHBondContact O-CB 3.14Å; D982-L985 PolarHBondContact O-N 2.92Å; D982-L986 WeakPolarHBondContact O-CG 3.47Å; D982-L986 PolarHBondContact O-N 2.86Å
983	Y	62	Low	53.7	Low	52 Å²	52	60.9 Å²	60.9	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-65.6	-35.9	169.2	-61.9	-32.1	0	0	0	111.7	C536 L960 R979 L986 S987	C536-Y983 HydrophobicContact CB-CD1 3.97Å; C536-Y983 HydrophobicContact CB-CE1 3.82Å; C536-Y983 WeakPolarHBondContact O-CD1 3.38Å; L960-Y983 HydrophobicContact CD2-CD1 4.06Å; L960-Y983 HydrophobicContact CD2-CE1 3.74Å; R979-Y983 HydrophobicContact CB-CD2 4.18Å; R979-Y983 HydrophobicContact CB-CE2 3.68Å; R979-Y983 WeakPolarHBondContact O-CB 3.08Å; R979-Y983 WeakPolarHBondContact O-CD2 3.44Å; R979-Y983 PolarHBondContact O-N 3.18Å; Y983-L986 HydrophobicContact CD1-CD1 4.47Å; Y983-L986 PolarHBondContact O-N 2.81Å; Y983-S987 PolarHBondContact O-N 3.05Å
984	A	58.2	Low	53.9	Low	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-50	169.9	0	0	0	0	0	111.1	L547 Q980 V981 D982 L986 S987 F988	L547-A984 HydrophobicContact CB-CB 3.93Å; L547-A984 HydrophobicContact CD2-CB 3.63Å; L547-A984 HydrophobicContact CG-CB 4.24Å; Q980-A984 WeakPolarHBondContact O-CB 3.39Å; Q980-A984 PolarHBondContact O-N 3.4Å; V981-A984 WeakPolarHBondContact O-CB 3.47Å; D982-A984 VanDerWaalsContact C-N 3.34Å; A984-L986 VanDerWaalsContact C-N 3.33Å; A984-L986 PolarHBondContact O-N 3.26Å; A984-S987 WeakPolarHBondContact O-CB 2.98Å; A984-S987 PolarHBondContact O-N 2.86Å; A984-S987 VanDerWaalsContact O-N 3.15Å; A984-S987 PolarHBondContact O-OG 3.03Å; A984-F988 WeakPolarHBondContact O-CD2 3.43Å; A984-F988 WeakPolarHBondContact O-CE2 3.48Å
985	L	64.2	Low	54	Low	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-42.7	177.6	179.1	59.6	0	0	0	112.1	R555 V556 F562 V981 D982 S987 F988 F989	R555-L985 HydrophobicContact CB-CD1 4.24Å; R555-L985 HydrophobicContact CB-CD2 4.18Å; R555-L985 VanDerWaalsContact CZ-CD2 3.48Å; V556-L985 HydrophobicContact CB-CD1 4.42Å; V556-L985 HydrophobicContact CG2-CD1 3.67Å; F562-L985 HydrophobicContact CD2-CD2 3.99Å; F562-L985 HydrophobicContact CE2-CD2 3.95Å; V981-L985 PolarHBondContact O-N 3.07Å; V981-L985 VanDerWaalsContact O-N 3.12Å; D982-L985 WeakPolarHBondContact O-CB 3.14Å; D982-L985 PolarHBondContact O-N 2.92Å; L985-S987 VanDerWaalsContact C-N 3.29Å; L985-S987 PolarHBondContact O-N 2.97Å; L985-F988 PolarHBondContact O-N 2.97Å; L985-F989 HydrophobicContact CD1-CE2 4.06Å; L985-F989 HydrophobicContact CG-CE2 4.14Å; L985-F989 WeakPolarHBondContact O-CD2 3.35Å
986	L	65.8	Low	54	Low	14 Å²	14	55.6 Å²	55.6	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-29.2	177.7	-74.3	171.5	0	0	0	113.9	L532 C536 F562 L960 D982 Y983 A984 F988 F989	L532-L986 HydrophobicContact CD2-CD2 3.88Å; L532-L986 HydrophobicContact CG-CD2 4.23Å; C536-L986 HydrophobicContact CB-CD1 3.38Å; F562-L986 HydrophobicContact CE1-CD2 4.08Å; F562-L986 HydrophobicContact CZ-CD2 3.77Å; L960-L986 HydrophobicContact CD1-CD1 4.13Å; D982-L986 WeakPolarHBondContact O-CG 3.47Å; D982-L986 PolarHBondContact O-N 2.86Å; Y983-L986 HydrophobicContact CD1-CD1 4.47Å; Y983-L986 PolarHBondContact O-N 2.81Å; A984-L986 VanDerWaalsContact C-N 3.33Å; A984-L986 PolarHBondContact O-N 3.26Å; L986-F988 PolarHBondContact O-N 3.28Å; L986-F989 PolarHBondContact O-N 2.92Å; L986-F989 VanDerWaalsContact O-N 3.11Å
987	S	63.6	Low	53.6	Low	55 Å²	55	55.9 Å²	55.9	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-18.9	177.5	76.1	0	0	0	0	114.5	Y983 A984 L985	Y983-S987 PolarHBondContact O-N 3.05Å; A984-S987 WeakPolarHBondContact O-CB 2.98Å; A984-S987 PolarHBondContact O-N 2.86Å; A984-S987 VanDerWaalsContact O-N 3.15Å; A984-S987 PolarHBondContact O-OG 3.03Å; L985-S987 VanDerWaalsContact C-N 3.29Å; L985-S987 PolarHBondContact O-N 2.97Å
988	F	65.6	Low	52.8	Low	22 Å²	22	57.2 Å²	57.2	10%	0.096	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.2	175.4	-63.6	-83.1	0	0	0	113.7	F499 K501 Y502 T551 W553 V556 A984 L985 L986	F499-F988 HydrophobicContact CB-CD1 4.33Å; K501-F988 WeakPolarHBondContact CA-O 3.33Å; Y502-F988 PolarHBondContact N-O 3.14Å; T551-F988 HydrophobicContact CG2-CD2 4.22Å; T551-F988 HydrophobicContact CG2-CE2 3.52Å; T551-F988 HydrophobicContact CG2-CZ 4Å; T551-F988 WeakPolarHBondContact OG1-CE2 3.48Å; W553-F988 AromaticContact CH2-CE1 3.87Å; W553-F988 HydrophobicContact CH2-CE1 3.87Å; W553-F988 HydrophobicContact CH2-CE2 4.29Å; W553-F988 AromaticContact CH2-CZ 3.49Å; W553-F988 HydrophobicContact CH2-CZ 3.49Å; W553-F988 VanDerWaalsContact CH2-CZ 3.49Å; W553-F988 AromaticContact CZ3-CE1 3.92Å; W553-F988 HydrophobicContact CZ3-CE1 3.92Å; W553-F988 HydrophobicContact CZ3-CE2 4.44Å; W553-F988 AromaticContact CZ3-CZ 3.83Å; W553-F988 HydrophobicContact CZ3-CZ 3.83Å; V556-F988 HydrophobicContact CG1-CB 4.25Å; V556-F988 HydrophobicContact CG1-CD1 4.35Å; V556-F988 HydrophobicContact CG1-CG 4.1Å; V556-F988 HydrophobicContact CG2-CD2 4.06Å; V556-F988 HydrophobicContact CG2-CE2 4.48Å; V556-F988 HydrophobicContact CG2-CG 4.45Å; A984-F988 WeakPolarHBondContact O-CD2 3.43Å; A984-F988 WeakPolarHBondContact O-CE2 3.48Å; L985-F988 PolarHBondContact O-N 2.97Å; L986-F988 PolarHBondContact O-N 3.28Å
989	F	69.7	Low	51.7	Low	10 Å²	10	58.8 Å²	58.8	4%	0.044	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.2	174	-70.8	-72.2	0	0	0	110.7	Y502 L504 P559 F562 L985 L986 L991	Y502-F989 WeakPolarHBondContact O-CA 3.38Å; L504-F989 HydrophobicContact CB-CB 4.17Å; L504-F989 HydrophobicContact CB-CD1 3.84Å; L504-F989 HydrophobicContact CB-CG 4.25Å; L504-F989 HydrophobicContact CD1-CD1 3.91Å; L504-F989 HydrophobicContact CD1-CE1 3.92Å; L504-F989 HydrophobicContact CD2-CB 4.25Å; L504-F989 HydrophobicContact CD2-CD1 4.24Å; L504-F989 HydrophobicContact CD2-CG 4.1Å; L504-F989 HydrophobicContact CG-CD1 4.21Å; P559-F989 HydrophobicContact CB-CE1 3.73Å; P559-F989 HydrophobicContact CB-CZ 4Å; F562-F989 HydrophobicContact CB-CZ 4.14Å; F562-F989 HydrophobicContact CD1-CD2 4.17Å; F562-F989 HydrophobicContact CD1-CE1 4.28Å; F562-F989 AromaticContact CD1-CE2 3.47Å; F562-F989 HydrophobicContact CD1-CE2 3.47Å; F562-F989 VanDerWaalsContact CD1-CE2 3.47Å; F562-F989 AromaticContact CD1-CZ 3.54Å; F562-F989 HydrophobicContact CD1-CZ 3.54Å; F562-F989 AromaticContact CE1-CD2 3.98Å; F562-F989 HydrophobicContact CE1-CD2 3.98Å; F562-F989 AromaticContact CE1-CE2 3.67Å; F562-F989 HydrophobicContact CE1-CE2 3.67Å; F562-F989 HydrophobicContact CE1-CZ 4.19Å; F562-F989 HydrophobicContact CG-CE2 4.04Å; F562-F989 HydrophobicContact CG-CZ 4.03Å; F562-F989 HydrophobicContact CZ-CE2 4.38Å; L985-F989 HydrophobicContact CD1-CE2 4.06Å; L985-F989 HydrophobicContact CG-CE2 4.14Å; L985-F989 WeakPolarHBondContact O-CD2 3.35Å; L986-F989 PolarHBondContact O-N 2.92Å; L986-F989 VanDerWaalsContact O-N 3.11Å; F989-L991 HydrophobicContact CB-CD2 4.42Å
990	D	66.2	Low	50.3	Low	26 Å²	26	56.4 Å²	56.4	14%	0.139	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.1	163.6	-153.6	-18.7	0	0	0	109.1	K501 Y502 L504 N992 V993	K501-D990 HydrophobicContact CB-CB 4.01Å; K501-D990 HydrophobicContact CD-CB 4.32Å; Y502-D990 PolarHBondContact O-N 3.17Å; L504-D990 PolarHBondContact N-O 3.49Å; D990-N992 PolarHBondContact OD1-N 3.37Å; D990-V993 HydrophobicContact CB-CG2 3.91Å
991	L	61.2	Low	48.9	Very low	32 Å²	32	59.2 Å²	59.2	17%	0.168	35%	0.346	C	S	.	.			trans	-93.5	-14.9	173.1	-57	179.3	0	0	0	111.5	L504 L529 Q533 F989 V993	L504-L991 HydrophobicContact CD2-CD2 3.87Å; L529-L991 HydrophobicContact CD2-CD2 4.2Å; Q533-L991 HydrophobicContact CB-CD1 4.1Å; Q533-L991 HydrophobicContact CG-CD1 4.21Å; F989-L991 HydrophobicContact CB-CD2 4.42Å; L991-V993 VanDerWaalsContact C-N 3.32Å; L991-V993 PolarHBondContact O-N 3.36Å
992	N	49.8	Very low	47.6	Very low	113 Å²	113	67.8 Å²	67.8	60%	0.604	39%	0.389	S	S	*	.			trans	-96.1	25.5	-175	-70.4	2.6	0	0	0	112.4	Q533 D990 D994	Q533-N992 PolarHBondContact NE2-OD1 3.12Å; D990-N992 PolarHBondContact OD1-N 3.37Å; N992-D994 VanDerWaalsContact C-N 3.34Å; N992-D994 PolarHBondContact O-N 3.39Å
993	V	46.6	Very low	46.8	Very low	37 Å²	37	70.6 Å²	70.6	22%	0.224	41%	0.405	C	S	.	.			trans	-76	91.1	172.6	-175.2	0	0	0	0	108.3	P503 S505 D990 L991 I995	P503-V993 HydrophobicContact CB-CG2 3.7Å; S505-V993 WeakPolarHBondContact OG-CB 3.25Å; D990-V993 HydrophobicContact CB-CG2 3.91Å; L991-V993 VanDerWaalsContact C-N 3.32Å; L991-V993 PolarHBondContact O-N 3.36Å; V993-I995 PolarHBondContact O-N 2.96Å
994	D	36.6	Very low	46	Very low	105 Å²	105	71.5 Å²	71.5	56%	0.561	42%	0.416	S	S	*	.			trans	-57.7	133.1	164.5	-95.7	-43	0	0	0	109.9	R526 N992 C996	R526-D994 IonicContact CZ-OD1 2.6Å; R526-D994 IonicContact NH2-OD1 2.84Å; R526-D994 PolarHBondContact NH2-OD1 2.98Å; N992-D994 VanDerWaalsContact C-N 3.34Å; N992-D994 PolarHBondContact O-N 3.39Å; D994-C996 VanDerWaalsContact C-N 3.34Å; D994-C996 PolarHBondContact O-N 2.73Å
995	I	33.2	Very low	45.4	Very low	74 Å²	74	75.5 Å²	75.5	38%	0.379	44%	0.439	S	S	.	.			trans	-64.5	102.5	166.9	-60.9	170.7	0	0	0	105.4	V993 E997 V998	V993-I995 PolarHBondContact O-N 2.96Å; I995-E997 PolarHBondContact O-N 2.69Å; I995-V998 HydrophobicContact CG2-CG2 4.06Å
996	C	29.5	Very low	44.2	Very low	58 Å²	58	79.9 Å²	79.9	39%	0.392	46%	0.464	S	S	.	.			trans	-64.5	106.4	-176.1	-65.5	0	0	0	0	110	K407 D994 V998	K407-C996 HydrophobicContact CD-CB 3.88Å; K407-C996 VanDerWaalsContact CE-SG 3.55Å; D994-C996 VanDerWaalsContact C-N 3.34Å; D994-C996 PolarHBondContact O-N 2.73Å; C996-V998 PolarHBondContact O-N 3.16Å
997	E	28.2	Very low	42.9	Very low	143 Å²	143	84 Å²	84	67%	0.668	49%	0.489	S	S	*	.			trans	53	59.7	150.4	-60.9	141.9	139.5	0	0	115	K407 I995 S999	K407-E997 IonicContact NZ-OE2 3.94Å; K407-E997 PolarHBondContact NZ-OE2 3.34Å; I995-E997 PolarHBondContact O-N 2.69Å; E997-S999 PolarHBondContact O-N 3.34Å; E997-S999 VanDerWaalsContact O-N 3.16Å
998	V	30.8	Very low	41.5	Very low	102 Å²	102	85.9 Å²	85.9	62%	0.618	50%	0.496	S	S	*	.	S	Bend	trans	-84.6	45.6	159.5	-165.4	0	0	0	0	109.6	I995 C996	I995-V998 HydrophobicContact CG2-CG2 4.06Å; C996-V998 PolarHBondContact O-N 3.16Å
999	S	27.2	Very low	39.8	Very low	110 Å²	110	90.5 Å²	90.5	77%	0.769	52%	0.524	S	S	*	.	S	Bend	trans	-158	93.3	-175.9	-68.8	0	0	0	0	109.9	E997	E997-S999 PolarHBondContact O-N 3.34Å; E997-S999 VanDerWaalsContact O-N 3.16Å
1000	G	26	Very low	37.5	Very low	71 Å²	71	96.7 Å²	96.7	73%	0.732	56%	0.561	S	S	*	*	S	Bend	trans	102	69.8	172.9	0	0	0	0	0	115.7
1001	D	24.9	Very low	35.1	Very low	167 Å²	167	102.6 Å²	102.6	89%	0.893	60%	0.596	S	S	*	*			trans	-178.3	59	143.3	-98.9	-9.7	0	0	0	110
1002	L	27.5	Very low	32.7	Very low	219 Å²	219	109 Å²	109	100%	1.147	64%	0.635	S	S	*	*			trans	-164.5	0	166.8	-116.3	169.5	0	0	0	112.6

Retrieved 1,002 of 1,002 residues in 1807.3 ms (Link to these results)

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