A0A3Q0KBE3_SCHMA Loading...

Family M13 non-peptidase homologue (M13 family)

AlphaFold DB , UniProt , Accession A0A3Q0KBE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 aa.

						>A0A3Q0KBE3_SCHMA|A0A3Q0KBE3
MTSTESKTVSPTNSLNLGQNFKYQVFSDNTEGISIVNTPQTTTDKKHYLWERVNNMKTSLVDSVQRKIPVHHSNQLNDMFKRFQFFFSIIGPILLFIMVILVLVYWKREQNELWKNRNQCYTKECLISSSSIVSHMNKTISPCENFFQYACGSYYPPFHPDQNAEQPAVQAHRVVASAFGKDTIQDYFKSGRSRRLLRFDRPMIEHLTEINVHAIINSLRNIYENSYGQYNSAKYKVAQFYDSCTSTSLRNWLGAHPLMKKVAPLLNGIWLLDRNASNETGANIVNQTSAWPKRLFWDSYLTQQFYMAKNWSWMDSIKHLQVQLNVPTFADFHIYTSPIKKPRLYIFPDSGAMGYLSDYKIRTYVTGVLEVLARDAGIPYGNEEYKERIRIFTEDLKLVSTELKKVYRSTNPSKWSQKSKLGDLNINGNAFDWSGLLGAYFDETYVVFDSDYPIYTRYLDYLQKIPIIIGTLERNFTKSVADRIMNNYMFWNVLDMYIWHLSYEYYMLHLSYNYYTEHVMDLECFFVTHELFDTVLGAIYTEKHMHNETENEVEQMTKYLRTSLKNHLKQIQWMDDKTRKDVNERINKMKILFKVPEIMRNDKKLNYAYRTLKTSYNYLNNLFSAVQYIRGVYNRLLSGVTETSEENWSSRDVMVYDSHVALHLLLDEVFIPPGMLQLPIFHHNLPAAFNFGGLGSLIGTAIGILVGEYGSFMLKEGEIQSIWTSETVNKYQEEKKCVQDQIYDASKNYFNFSDIVMSSMSDDIKKITRSVINEASGLDIARSAFEDWINDSPGEKYLRNLPGVTFNSKQLFYLIYAQTFCHDMDLWDEYYQMIIRTPQPPYEVLVNHIMNELPDFSDTFNCPVGTPMNPKKRCRAAL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.8	Very low	23.8	Very low	245 Å²	245	133.5 Å²	133.5	100%	1.207	76%	0.757	S	S	*	*				0	113.4	0	-76.6	171.5	168.4	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 3.44Å
2	T	23	Very low	24	Very low	142 Å²	142	128.3 Å²	128.3	87%	0.871	73%	0.73	S	S	*	*			trans	-75	105.7	-169	43.9	0	0	0	0	111.3	T4	T2-T4 PolarHBondContact O-N 2.95Å
3	S	21.8	Very low	24.3	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	69%	0.687	S	S	*	*			trans	-85.2	101.4	165.8	58.5	0	0	0	0	109.4	M1 E5	M1-S3 PolarHBondContact O-N 3.44Å; S3-E5 PolarHBondContact O-N 2.9Å
4	T	24.4	Very low	24.5	Very low	136 Å²	136	114.6 Å²	114.6	83%	0.834	66%	0.655	S	S	*	*			trans	-69.9	107.1	160.5	42.2	0	0	0	0	108.4	T2 S6	T2-T4 PolarHBondContact O-N 2.95Å; T4-S6 PolarHBondContact O-N 3.47Å
5	E	24.6	Very low	25.2	Very low	184 Å²	184	107.3 Å²	107.3	86%	0.86	61%	0.613	S	S	*	*			trans	-59.1	106.4	169.8	-73.9	-179.8	155.7	0	0	110.1	S3 K7	S3-E5 PolarHBondContact O-N 2.9Å; E5-K7 PolarHBondContact O-N 3.18Å
6	S	22.9	Very low	25.6	Very low	95 Å²	95	104.5 Å²	104.5	66%	0.664	60%	0.595	S	S	*	*			trans	-70.2	113.4	161.8	63.5	0	0	0	0	108	T4 T8	T4-S6 PolarHBondContact O-N 3.47Å; S6-T8 VanDerWaalsContact C-N 3.28Å; S6-T8 PolarHBondContact O-N 3.33Å
7	K	24	Very low	26	Very low	198 Å²	198	98.5 Å²	98.5	86%	0.861	56%	0.561	S	S	*	*			trans	-58.5	91.1	166.1	-71.5	175.9	178.1	170.3	0	109.4	E5 V9	E5-K7 PolarHBondContact O-N 3.18Å; K7-V9 PolarHBondContact O-N 3.2Å
8	T	23.6	Very low	26.2	Very low	123 Å²	123	93.7 Å²	93.7	76%	0.755	54%	0.537	S	S	*	.			trans	-74	99.6	164.4	39.1	0	0	0	0	107.7	S6 S10	S6-T8 VanDerWaalsContact C-N 3.28Å; S6-T8 PolarHBondContact O-N 3.33Å; T8-S10 PolarHBondContact O-N 3.36Å
9	V	24.9	Very low	26.4	Very low	128 Å²	128	94.5 Å²	94.5	78%	0.776	54%	0.536	S	S	*	.			trans	-63	110.6	159.4	176.9	0	0	0	0	105.8	K7 P11	K7-V9 PolarHBondContact O-N 3.2Å; V9-P11 WeakPolarHBondContact O-CD 3.49Å
10	S	23.9	Very low	26.5	Very low	70 Å²	70	90.3 Å²	90.3	49%	0.49	51%	0.511	S	S	.	.			trans	-57.6	119.1	165.1	168.9	0	0	0	0	107.5	T8 T12	T8-S10 PolarHBondContact O-N 3.36Å; S10-T12 PolarHBondContact O-N 2.8Å
11	P	25.2	Very low	26.7	Very low	39 Å²	39	86.8 Å²	86.8	25%	0.253	49%	0.491	S	S	.	.			trans	-76.1	103.9	168	30.1	-24.4	0	0	0	106.4	V9 N13	V9-P11 WeakPolarHBondContact O-CD 3.49Å; P11-N13 PolarHBondContact O-N 3.29Å
12	T	27	Very low	27.2	Very low	71 Å²	71	76.6 Å²	76.6	44%	0.436	44%	0.44	S	S	.	.			trans	-61.7	79.7	159.7	46.3	0	0	0	0	107.9	S10	S10-T12 PolarHBondContact O-N 2.8Å
13	N	28	Very low	27.6	Very low	31 Å²	31	71.4 Å²	71.4	17%	0.166	40%	0.404	C	S	.	.			trans	-94.6	9.6	177.6	-88.2	11.2	0	0	0	112.4	P11 L15 D495	P11-N13 PolarHBondContact O-N 3.29Å; N13-L15 PolarHBondContact O-N 3.37Å; N13-D495 PolarHBondContact ND2-OD2 2.87Å
14	S	27.2	Very low	28	Very low	34 Å²	34	67.5 Å²	67.5	24%	0.238	37%	0.374	C	S	.	.	S	Bend	trans	-73.2	76.1	166.8	56.9	0	0	0	0	109.1
15	L	33.9	Very low	28.2	Very low	6 Å²	6	62.6 Å²	62.6	3%	0.031	34%	0.344	C	S	.	.			trans	42.2	102.6	-176.1	-75.2	150.9	0	0	0	112.1	N13 L17 M496 H500 L622	N13-L15 PolarHBondContact O-N 3.37Å; L15-L17 HydrophobicContact CB-CB 4.02Å; L15-L17 HydrophobicContact CB-CD1 3.76Å; L15-L17 HydrophobicContact CB-CG 3.8Å; L15-L17 HydrophobicContact CD1-CD1 4Å; L15-L17 HydrophobicContact CD2-CD1 3.35Å; L15-L17 HydrophobicContact CD2-CG 3.89Å; L15-L17 HydrophobicContact CG-CD1 3.9Å; L15-L17 HydrophobicContact CG-CG 4.38Å; L15-L17 PolarHBondContact O-N 3.36Å; L15-M496 HydrophobicContact CD2-CE 3.33Å; L15-M496 HydrophobicContact CD2-CG 4.05Å; L15-M496 HydrophobicContact CD2-SD 4.47Å; L15-M496 HydrophobicContact CG-CE 4.46Å; L15-H500 WeakPolarHBondContact CD1-CE1 3.26Å; L15-H500 WeakPolarHBondContact CD1-NE2 3.17Å; L15-L622 HydrophobicContact CD1-CD1 3.54Å; L15-L622 HydrophobicContact CD1-CD2 4.1Å; L15-L622 HydrophobicContact CD1-CG 4.32Å
16	N	32.9	Very low	28.4	Very low	62 Å²	62	57.7 Å²	57.7	33%	0.332	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	28.1	171.2	-132.2	-1.6	0	0	0	113.6	N20	N16-N20 PolarHBondContact O-ND2 3.24Å
17	L	32.4	Very low	28.5	Very low	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-42.8	172.6	-73.1	-177.3	0	0	0	111.5	L15 N20 F21 N325 L531 V626 I629	L15-L17 HydrophobicContact CB-CB 4.02Å; L15-L17 HydrophobicContact CB-CD1 3.76Å; L15-L17 HydrophobicContact CB-CG 3.8Å; L15-L17 HydrophobicContact CD1-CD1 4Å; L15-L17 HydrophobicContact CD2-CD1 3.35Å; L15-L17 HydrophobicContact CD2-CG 3.89Å; L15-L17 HydrophobicContact CG-CD1 3.9Å; L15-L17 HydrophobicContact CG-CG 4.38Å; L15-L17 PolarHBondContact O-N 3.36Å; L17-N20 CarbonylContact O-C 3.53Å; L17-N20 WeakPolarHBondContact O-CA 3.09Å; L17-N20 WeakPolarHBondContact O-CB 3.3Å; L17-N20 PolarHBondContact O-N 2.92Å; L17-N20 VanDerWaalsContact O-N 3.09Å; L17-F21 VanDerWaalsContact C-CE2 3.41Å; L17-F21 HydrophobicContact CB-CD2 4.35Å; L17-F21 HydrophobicContact CB-CE2 3.68Å; L17-F21 HydrophobicContact CD2-CE2 4.02Å; L17-F21 HydrophobicContact CD2-CZ 4.32Å; L17-F21 HydrophobicContact CG-CE2 4.4Å; L17-F21 WeakPolarHBondContact O-CD2 3.27Å; L17-F21 WeakPolarHBondContact O-CE2 3.27Å; L17-F21 PolarHBondContact O-N 3.3Å; L17-N325 VanDerWaalsContact CD2-ND2 3.27Å; L17-N325 WeakPolarHBondContact CD2-ND2 3.45Å; L17-L531 HydrophobicContact CB-CD2 3.99Å; L17-L531 HydrophobicContact CD1-CD2 3.64Å; L17-L531 HydrophobicContact CG-CD2 4.44Å; L17-V626 HydrophobicContact CD1-CG2 3.88Å; L17-I629 HydrophobicContact CB-CD1 4.47Å; L17-I629 HydrophobicContact CD1-CD1 4.08Å; L17-I629 HydrophobicContact CD2-CD1 4.14Å; L17-I629 HydrophobicContact CD2-CG2 4.06Å; L17-I629 HydrophobicContact CG-CD1 4.47Å
18	G	28.4	Very low	28.7	Very low	13 Å²	13	52.7 Å²	52.7	13%	0.134	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-90	-10	-169.1	0	0	0	0	0	118.2	N20 E530	G18-N20 PolarHBondContact O-N 2.9Å; G18-E530 VanDerWaalsContact CA-CD 3.44Å; G18-E530 WeakPolarHBondContact CA-O 3.13Å; G18-E530 WeakPolarHBondContact CA-OE2 3.32Å; G18-E530 PolarHBondContact N-OE2 3.35Å
19	Q	30	Very low	28.8	Very low	109 Å²	109	53.1 Å²	53.1	51%	0.509	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.8	-8.9	157.7	-71.3	-164.5	-2.8	0	0	112.5	E530	Q19-E530 PolarHBondContact N-OE2 3.46Å
20	N	29.7	Very low	28.8	Very low	9 Å²	9	53.5 Å²	53.5	5%	0.048	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-118	-9.4	-159.6	-96.1	-17	0	0	0	112.3	N16 L17 G18 K22 H333 Y633	N16-N20 PolarHBondContact O-ND2 3.24Å; L17-N20 CarbonylContact O-C 3.53Å; L17-N20 WeakPolarHBondContact O-CA 3.09Å; L17-N20 WeakPolarHBondContact O-CB 3.3Å; L17-N20 PolarHBondContact O-N 2.92Å; L17-N20 VanDerWaalsContact O-N 3.09Å; G18-N20 PolarHBondContact O-N 2.9Å; N20-K22 PolarHBondContact O-N 2.94Å; N20-H333 PolarHBondContact ND2-CE1 3.44Å; N20-H333 PolarHBondContact ND2-ND1 2.98Å; N20-H333 PolarHBondContact ND2-NE2 3.28Å; N20-H333 PolarHBondContact OD1-ND1 3.17Å; N20-Y633 WeakPolarHBondContact CA-OH 3.36Å; N20-Y633 WeakPolarHBondContact CB-OH 3.43Å; N20-Y633 WeakPolarHBondContact O-CE1 3.26Å; N20-Y633 PolarHBondContact O-OH 3.17Å; N20-Y633 PolarHBondContact OD1-OH 3.26Å
21	F	29.4	Very low	28.9	Very low	17 Å²	17	59.5 Å²	59.5	8%	0.075	32%	0.321	C	S	.	.			trans	-100.3	80.2	176.6	-69.6	-58.8	0	0	0	114.1	L17 E530 I629 Y633	L17-F21 VanDerWaalsContact C-CE2 3.41Å; L17-F21 HydrophobicContact CB-CD2 4.35Å; L17-F21 HydrophobicContact CB-CE2 3.68Å; L17-F21 HydrophobicContact CD2-CE2 4.02Å; L17-F21 HydrophobicContact CD2-CZ 4.32Å; L17-F21 HydrophobicContact CG-CE2 4.4Å; L17-F21 WeakPolarHBondContact O-CD2 3.27Å; L17-F21 WeakPolarHBondContact O-CE2 3.27Å; L17-F21 PolarHBondContact O-N 3.3Å; F21-E530 WeakPolarHBondContact CD2-O 2.79Å; F21-I629 HydrophobicContact CD1-CB 4.39Å; F21-I629 HydrophobicContact CD1-CD1 4.38Å; F21-I629 HydrophobicContact CD1-CG1 3.72Å; F21-I629 HydrophobicContact CD2-CD1 3.72Å; F21-I629 HydrophobicContact CD2-CG1 3.98Å; F21-I629 HydrophobicContact CE1-CB 3.49Å; F21-I629 VanDerWaalsContact CE1-CB 3.49Å; F21-I629 HydrophobicContact CE1-CD1 3.99Å; F21-I629 HydrophobicContact CE1-CG1 3.26Å; F21-I629 HydrophobicContact CE1-CG2 3.34Å; F21-I629 HydrophobicContact CE2-CB 4.11Å; F21-I629 HydrophobicContact CE2-CD1 3.15Å; F21-I629 HydrophobicContact CE2-CG1 3.46Å; F21-I629 VanDerWaalsContact CE2-CG1 3.46Å; F21-I629 HydrophobicContact CE2-CG2 3.8Å; F21-I629 HydrophobicContact CG-CD1 4.37Å; F21-I629 HydrophobicContact CG-CG1 4.17Å; F21-I629 HydrophobicContact CZ-CB 3.43Å; F21-I629 VanDerWaalsContact CZ-CB 3.43Å; F21-I629 HydrophobicContact CZ-CD1 3.46Å; F21-I629 VanDerWaalsContact CZ-CD1 3.46Å; F21-I629 HydrophobicContact CZ-CG1 3.23Å; F21-I629 HydrophobicContact CZ-CG2 2.91Å; F21-Y633 HydrophobicContact CE1-CD1 4.26Å; F21-Y633 AromaticContact CE1-CE1 3.88Å; F21-Y633 HydrophobicContact CE1-CE1 3.88Å; F21-Y633 HydrophobicContact CZ-CE1 4.24Å
22	K	32.8	Very low	28.9	Very low	31 Å²	31	60.9 Å²	60.9	14%	0.135	34%	0.342	C	S	.	.			trans	-130.8	123.4	169.8	-64.8	164.6	168.4	-141.3	0	103.6	N20 S649 S650 D652	N20-K22 PolarHBondContact O-N 2.94Å; K22-S649 WeakPolarHBondContact CD-O 3.49Å; K22-S649 WeakPolarHBondContact CE-O 3.45Å; K22-S649 WeakPolarHBondContact CG-O 3.02Å; K22-S649 PolarHBondContact NZ-O 3.35Å; K22-S649 VanDerWaalsContact NZ-O 3.11Å; K22-S650 VanDerWaalsContact NZ-C 3.32Å; K22-S650 PolarHBondContact NZ-O 3.41Å; K22-D652 WeakPolarHBondContact CE-OD1 3.45Å; K22-D652 IonicContact NZ-OD1 3.61Å; K22-D652 PolarHBondContact NZ-OD1 3.34Å; K22-D652 IonicContact NZ-OD2 2.69Å; K22-D652 PolarHBondContact NZ-OD2 2.78Å
23	Y	32.6	Very low	28.8	Very low	33 Å²	33	65.5 Å²	65.5	13%	0.129	36%	0.362	C	S	.	.			trans	146.5	80.2	175	33.9	-133	0	0	0	120.4	T336 L636 N647 S650	Y23-T336 HydrophobicContact CD2-CG2 3.56Å; Y23-T336 WeakPolarHBondContact CD2-OG1 3.26Å; Y23-T336 WeakPolarHBondContact CE1-OG1 3.3Å; Y23-T336 HydrophobicContact CE2-CG2 3.55Å; Y23-T336 WeakPolarHBondContact CE2-OG1 3.32Å; Y23-T336 PolarHBondContact OH-OG1 3.4Å; Y23-T336 VanDerWaalsContact OH-OG1 3.05Å; Y23-L636 HydrophobicContact CD2-CD2 4.27Å; Y23-L636 HydrophobicContact CG-CD2 4.34Å; Y23-N647 HydrophobicContact CD1-CB 4.08Å; Y23-N647 HydrophobicContact CE1-CB 4.46Å; Y23-N647 PolarHBondContact N-ND2 2.88Å; Y23-S650 VanDerWaalsContact CE1-OG 3.27Å; Y23-S650 WeakPolarHBondContact CE1-OG 3.32Å; Y23-S650 WeakPolarHBondContact OH-CB 3.47Å; Y23-S650 PolarHBondContact OH-OG 2.76Å
24	Q	30.5	Very low	28.6	Very low	27 Å²	27	68.6 Å²	68.6	13%	0.126	39%	0.386	C	S	.	.				83.9	134.8	129.5	-74.8	156.8	37.5	0	0	125.9	T641 E642 T643	Q24-T641 HydrophobicContact CB-CG2 4.26Å; Q24-T641 VanDerWaalsContact OE1-CA 3.25Å; Q24-T641 PolarHBondContact OE1-O 3.48Å; Q24-T641 PolarHBondContact OE1-OG1 3.4Å; Q24-E642 WeakPolarHBondContact CG-O 3.08Å; Q24-E642 PolarHBondContact NE2-O 3.3Å; Q24-E642 PolarHBondContact OE1-O 2.85Å; Q24-T643 VanDerWaalsContact CD-N 3.26Å
25	V	27.7	Very low	28.6	Very low	32 Å²	32	75.1 Å²	75.1	19%	0.194	42%	0.417	C	S	.	.			trans	-128	142.4	162.9	168	0	0	0	0	111.5	I598 K604 A608	V25-I598 HydrophobicContact CB-CB 4.39Å; V25-I598 HydrophobicContact CB-CD1 3.97Å; V25-I598 HydrophobicContact CB-CG1 4.06Å; V25-I598 HydrophobicContact CG1-CG1 4.34Å; V25-I598 HydrophobicContact CG2-CD1 3.21Å; V25-I598 HydrophobicContact CG2-CG1 3.77Å; V25-K604 HydrophobicContact CG1-CB 4.16Å; V25-K604 HydrophobicContact CG1-CD 4.31Å; V25-K604 HydrophobicContact CG1-CG 4.32Å; V25-A608 HydrophobicContact CG2-CB 3.58Å
26	F	28.3	Very low	28.3	Very low	82 Å²	82	81 Å²	81	36%	0.36	45%	0.453	S	S	.	.			trans	-55	145.9	-175.9	-60.5	-90.1	0	0	0	117	V640 T641	F26-V640 HydrophobicContact CE1-CG1 3.75Å; F26-V640 WeakPolarHBondContact CE1-O 3.35Å; F26-V640 HydrophobicContact CZ-CG1 4.08Å; F26-T641 HydrophobicContact CZ-CG2 4.29Å
27	S	25.7	Very low	27.9	Very low	61 Å²	61	84.6 Å²	84.6	43%	0.427	47%	0.472	S	S	.	.			trans	-85.5	137.4	158.1	76.3	0	0	0	0	110.5
28	D	28	Very low	27.7	Very low	126 Å²	126	90.6 Å²	90.6	67%	0.674	51%	0.509	S	S	*	.				166.2	123.8	125.1	-88.2	5	0	0	0	111.8
29	N	25.7	Very low	27.8	Very low	133 Å²	133	94.8 Å²	94.8	71%	0.711	53%	0.533	S	S	*	.			trans	50.7	115.5	140.2	-53.2	-25.1	0	0	0	120.2
30	T	26.1	Very low	27.8	Very low	136 Å²	136	97.9 Å²	97.9	83%	0.834	55%	0.548	S	S	*	.				175.6	119	107.9	39	0	0	0	0	112.2
31	E	24.6	Very low	27.8	Very low	196 Å²	196	104.3 Å²	104.3	92%	0.916	59%	0.588	S	S	*	*			trans	28.2	134	140.8	-60.3	-179.7	166.5	0	0	122.2
32	G	26.2	Very low	27.9	Very low	68 Å²	68	109.6 Å²	109.6	70%	0.701	62%	0.622	S	S	*	*			trans	152.4	92.9	143.1	0	0	0	0	0	119.5
33	I	25.4	Very low	27.9	Very low	168 Å²	168	114.5 Å²	114.5	86%	0.862	65%	0.654	S	S	*	*			trans	94.2	113.6	137.9	-52.3	170.5	0	0	0	119.3
34	S	23.5	Very low	28.2	Very low	95 Å²	95	118.7 Å²	118.7	66%	0.664	68%	0.679	S	S	*	*			trans	-64	146.8	164.5	52.8	0	0	0	0	114.6
35	I	26.2	Very low	28.7	Very low	172 Å²	172	126.3 Å²	126.3	88%	0.882	71%	0.712	S	S	*	*			trans	-133.5	134	144.3	-58.4	-177.6	0	0	0	109.9
36	V	28.3	Very low	29.5	Very low	130 Å²	130	134 Å²	134	79%	0.788	74%	0.743	S	S	*	*			trans	-74.7	147.5	-168.7	170.1	0	0	0	0	112.6
37	N	25.4	Very low	30.3	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	75%	0.754	S	S	*	*			trans	-83.8	159.2	176.1	-105.8	-23.9	0	0	0	113.4
38	T	27.7	Very low	31.4	Very low	127 Å²	127	141 Å²	141	78%	0.779	76%	0.764	S	S	*	*			trans	77.8	160.3	147.4	49.5	0	0	0	0	120.6
39	P	30.9	Very low	32.4	Very low	101 Å²	101	140.8 Å²	140.8	66%	0.656	76%	0.762	S	S	*	*			cis	-140.1	169	-33.7	34.6	-16.4	0	0	0	115
40	Q	28.4	Very low	33.7	Very low	174 Å²	174	143 Å²	143	81%	0.813	76%	0.76	S	S	*	*			trans	38.6	125	143.6	-68.8	176.7	-19.8	0	0	120.9
41	T	31.5	Very low	34.9	Very low	145 Å²	145	142.5 Å²	142.5	89%	0.89	75%	0.749	S	S	*	*			trans	-141.6	119.6	135.3	39.7	0	0	0	0	111.6
42	T	29.9	Very low	36.4	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	73%	0.734	S	S	*	*			trans	-104.6	116	169.4	44.8	0	0	0	0	109.4
43	T	33.1	Very low	37.9	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	73%	0.729	S	S	*	*			trans	-164.5	128.7	160.5	32.9	0	0	0	0	103.8
44	D	40.1	Very low	39.3	Very low	122 Å²	122	137.3 Å²	137.3	65%	0.652	70%	0.704	S	S	*	*				-179.4	83.6	62.4	-163.8	-1.5	0	0	0	109.5
45	K	40.9	Very low	40.9	Very low	187 Å²	187	138.2 Å²	138.2	81%	0.813	70%	0.701	S	S	*	*	S	Bend	trans	-124.1	-7.6	174.8	-85.7	-174.1	177.5	178.1	0	114.4
46	K	43.3	Very low	42.3	Very low	193 Å²	193	136.8 Å²	136.8	84%	0.839	69%	0.693	S	S	*	*	S	Bend	trans	-86.8	-21.3	177	-90.8	-177.1	174.7	178.3	0	113.4
47	H	46.1	Very low	43.4	Very low	130 Å²	130	137.8 Å²	137.8	60%	0.602	69%	0.687	S	S	*	*	H	α-helix	trans	-76.1	-35.1	-179.3	-150.3	34.9	0	0	0	112.6	L49 W50	H47-L49 VanDerWaalsContact C-N 3.34Å; H47-L49 PolarHBondContact O-N 2.86Å; H47-W50 PolarHBondContact O-N 3.37Å
48	Y	48.4	Very low	44.8	Very low	160 Å²	160	135.5 Å²	135.5	63%	0.627	68%	0.678	S	S	*	*	H	α-helix	trans	-70.3	-22.1	-179.2	-165.4	-101.1	0	0	0	114.9
49	L	49.7	Very low	46.1	Very low	121 Å²	121	133.4 Å²	133.4	63%	0.634	67%	0.669	S	S	*	*	H	α-helix	trans	-88.1	-26.4	179.7	-91.2	155.2	0	0	0	113.3	H47 V53	H47-L49 VanDerWaalsContact C-N 3.34Å; H47-L49 PolarHBondContact O-N 2.86Å; L49-V53 WeakPolarHBondContact O-CG2 3.29Å
50	W	51.1	Low	47.1	Very low	179 Å²	179	134.4 Å²	134.4	68%	0.678	67%	0.668	S	S	*	*	H	α-helix	trans	-76.9	-35	-178.3	-162.2	80.8	0	0	0	112.3	H47 N54	H47-W50 PolarHBondContact O-N 3.37Å; W50-N54 WeakPolarHBondContact CH2-ND2 3.2Å; W50-N54 WeakPolarHBondContact CZ3-ND2 3.34Å; W50-N54 PolarHBondContact O-N 3.36Å
51	E	53.2	Low	48.4	Very low	127 Å²	127	130 Å²	130	59%	0.593	65%	0.652	S	S	*	*	H	α-helix	trans	-67.7	-34.8	175.8	-117	-178.6	166.6	0	0	112.9	N55	E51-N55 PolarHBondContact O-N 3.29Å; E51-N55 PolarHBondContact O-ND2 3.26Å
52	R	54.3	Low	49.5	Very low	159 Å²	159	127.9 Å²	127.9	60%	0.6	64%	0.636	S	S	*	*	H	α-helix	trans	-76.7	-27.5	-176.2	-140.1	172.9	175.6	152.2	-3.1	113.3
53	V	58.3	Low	50.6	Low	98 Å²	98	125.6 Å²	125.6	59%	0.594	63%	0.625	S	S	*	*	H	α-helix	trans	-79.9	-35.7	177.4	174.5	0	0	0	0	111.7	L49 M56 K57	L49-V53 WeakPolarHBondContact O-CG2 3.29Å; V53-M56 PolarHBondContact O-N 2.96Å; V53-K57 PolarHBondContact O-N 3.35Å
54	N	55.4	Low	51.5	Low	66 Å²	66	124.7 Å²	124.7	35%	0.353	62%	0.619	S	S	.	*	H	α-helix	trans	-69.1	-32.3	176.5	-82.9	-24.5	0	0	0	112.7	W50 K57 T58	W50-N54 WeakPolarHBondContact CH2-ND2 3.2Å; W50-N54 WeakPolarHBondContact CZ3-ND2 3.34Å; W50-N54 PolarHBondContact O-N 3.36Å; N54-K57 PolarHBondContact O-N 2.9Å; N54-T58 PolarHBondContact O-N 2.83Å; N54-T58 PolarHBondContact O-OG1 3.43Å
55	N	56.7	Low	51.9	Low	113 Å²	113	126.2 Å²	126.2	60%	0.604	62%	0.622	S	S	*	*	H	α-helix	trans	-73.2	-23.2	175.8	-75.1	-20.3	0	0	0	114.1	E51 T58	E51-N55 PolarHBondContact O-N 3.29Å; E51-N55 PolarHBondContact O-ND2 3.26Å; N55-T58 PolarHBondContact O-OG1 2.9Å
56	M	54.8	Low	52	Low	142 Å²	142	126.3 Å²	126.3	70%	0.7	62%	0.617	S	S	*	*	H	α-helix	trans	-77.8	-29.1	171	-84.3	-174.6	-176	0	0	112.6	V53 L60	V53-M56 PolarHBondContact O-N 2.96Å; M56-L60 PolarHBondContact O-N 3.33Å
57	K	51.5	Low	52.1	Low	151 Å²	151	126.6 Å²	126.6	66%	0.657	62%	0.618	S	S	*	*	H	α-helix	trans	-70.5	-36.8	-178.8	-164.4	177.6	-179.9	-177.6	0	112.2	V53 N54 V61	V53-K57 PolarHBondContact O-N 3.35Å; N54-K57 PolarHBondContact O-N 2.9Å; K57-V61 WeakPolarHBondContact O-CG2 3.34Å
58	T	56.6	Low	52.1	Low	89 Å²	89	128.1 Å²	128.1	55%	0.546	63%	0.63	S	S	.	*	H	α-helix	trans	-73.7	-32.8	176.8	46.2	0	0	0	0	112.5	N54 N55 L60	N54-T58 PolarHBondContact O-N 2.83Å; N54-T58 PolarHBondContact O-OG1 3.43Å; N55-T58 PolarHBondContact O-OG1 2.9Å; T58-L60 PolarHBondContact O-N 3.5Å
59	S	54.8	Low	51.8	Low	84 Å²	84	126.5 Å²	126.5	59%	0.587	64%	0.639	S	S	*	*	H	α-helix	trans	-72	-24.7	177.2	-179	0	0	0	0	114.6
60	L	50.5	Low	51.5	Low	122 Å²	122	127 Å²	127	64%	0.639	65%	0.646	S	S	*	*	H	α-helix	trans	-84.4	-34.9	-178.6	-131	91.2	0	0	0	112.4	M56 T58 S63	M56-L60 PolarHBondContact O-N 3.33Å; T58-L60 PolarHBondContact O-N 3.5Å; L60-S63 PolarHBondContact O-N 3.3Å; L60-S63 PolarHBondContact O-OG 2.87Å
61	V	56	Low	51.2	Low	81 Å²	81	126.2 Å²	126.2	49%	0.491	65%	0.65	S	S	.	*	H	α-helix	trans	-67.8	-35.9	-177.9	175	0	0	0	0	111.6	K57 S63	K57-V61 WeakPolarHBondContact O-CG2 3.34Å; V61-S63 VanDerWaalsContact C-N 3.3Å; V61-S63 PolarHBondContact O-N 2.88Å
62	D	54.2	Low	50.8	Low	101 Å²	101	128 Å²	128	54%	0.54	66%	0.658	S	S	.	*	H	α-helix	trans	-75.2	-13	178.2	-80	-14.3	0	0	0	114.9	R66	D62-R66 PolarHBondContact O-NH2 3.49Å
63	S	53.9	Low	49.9	Very low	79 Å²	79	124.8 Å²	124.8	55%	0.552	66%	0.659	S	S	*	*	H	α-helix	trans	-90.7	-21.6	178.6	81.7	0	0	0	0	113.5	L60 V61	L60-S63 PolarHBondContact O-N 3.3Å; L60-S63 PolarHBondContact O-OG 2.87Å; V61-S63 VanDerWaalsContact C-N 3.3Å; V61-S63 PolarHBondContact O-N 2.88Å
64	V	51.1	Low	49.2	Very low	114 Å²	114	127 Å²	127	69%	0.691	67%	0.668	S	S	*	*	H	α-helix	trans	-96.2	-19.5	-174.7	179.1	0	0	0	0	112.4	R66	V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 2.99Å
65	Q	48.6	Very low	48.9	Very low	155 Å²	155	133 Å²	133	72%	0.724	69%	0.694	S	S	*	*	S	Bend	trans	-82.7	5.7	178.1	-83.7	174.5	-44.1	0	0	115.4
66	R	43.6	Very low	48.6	Very low	189 Å²	189	131.6 Å²	131.6	71%	0.713	69%	0.686	S	S	*	*	S	Bend	trans	-129	76.7	179.6	-77.8	-177.7	-82.5	176.3	-9	111.8	D62 V64	D62-R66 PolarHBondContact O-NH2 3.49Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 2.99Å
67	K	46.3	Very low	48.5	Very low	198 Å²	198	131.6 Å²	131.6	86%	0.861	69%	0.689	S	S	*	*			trans	168.3	73.6	154.9	-98.4	168.1	-179.9	-176.6	0	112.5
68	I	44.3	Very low	48.6	Very low	163 Å²	163	130.4 Å²	130.4	84%	0.836	69%	0.69	S	S	*	*			trans	-145.7	108.3	156.6	-53.5	-180	0	0	0	109.2
69	P	43.9	Very low	48.5	Very low	126 Å²	126	131.6 Å²	131.6	82%	0.818	69%	0.691	S	S	*	*			trans	-89.4	140.2	167.7	28.1	-17.9	0	0	0	111.4
70	V	42.3	Very low	48.4	Very low	130 Å²	130	133.6 Å²	133.6	79%	0.788	69%	0.689	S	S	*	*			trans	-91.9	119.6	-175.1	175.7	0	0	0	0	109.6
71	H	44.4	Very low	48.7	Very low	164 Å²	164	134.9 Å²	134.9	76%	0.759	69%	0.689	S	S	*	*			trans	-175.9	113	145.6	-116.2	-62.7	0	0	0	113.1
72	H	44.9	Very low	48.7	Very low	164 Å²	164	140.4 Å²	140.4	76%	0.759	70%	0.701	S	S	*	*				153.6	100.1	120	-102.4	-53.6	0	0	0	111.1
73	S	36.2	Very low	48.8	Very low	91 Å²	91	141.4 Å²	141.4	64%	0.636	70%	0.701	S	S	*	*			trans	-78	152.1	167.5	57.5	0	0	0	0	110.6
74	N	43.3	Very low	49	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	70%	0.703	S	S	*	*	S	Bend	trans	116	31.7	163.3	-53.7	-6.3	0	0	0	117.5
75	Q	50.1	Low	49.3	Very low	190 Å²	190	145.1 Å²	145.1	89%	0.888	70%	0.7	S	S	*	*	S	Bend	trans	-137.8	8.2	152.6	-82.2	-165.7	-28.1	0	0	114.3
76	L	50.2	Low	49.8	Very low	85 Å²	85	144 Å²	144	45%	0.445	69%	0.693	S	S	.	*			trans	-88	-7.6	-166.4	-96.1	141.7	0	0	0	116	D78 F80	L76-D78 PolarHBondContact O-N 3.48Å; L76-F80 HydrophobicContact CB-CD2 4.21Å; L76-F80 HydrophobicContact CD2-CD2 3.75Å; L76-F80 HydrophobicContact CD2-CE2 3.84Å; L76-F80 VanDerWaalsContact O-CB 3.26Å; L76-F80 WeakPolarHBondContact O-CB 3.37Å; L76-F80 WeakPolarHBondContact O-CD2 3.34Å; L76-F80 PolarHBondContact O-N 3.34Å
77	N	50.9	Low	50.6	Low	142 Å²	142	142 Å²	142	76%	0.759	69%	0.69	S	S	*	*	H	α-helix	trans	-78.3	-20.7	-166.4	-127.8	7.2	0	0	0	115
78	D	54.6	Low	51.6	Low	126 Å²	126	136.8 Å²	136.8	67%	0.674	68%	0.678	S	S	*	*	H	α-helix	trans	-96.2	-30.3	178	-150.1	37.5	0	0	0	112.4	L76	L76-D78 PolarHBondContact O-N 3.48Å
79	M	53.9	Low	52.8	Low	114 Å²	114	132.9 Å²	132.9	56%	0.562	66%	0.658	S	S	*	*	H	α-helix	trans	-68.3	-34.8	165.5	-76.7	-142.7	-57.5	0	0	112.1	K81 R82 F83	M79-K81 VanDerWaalsContact C-N 3.31Å; M79-K81 PolarHBondContact O-N 3.44Å; M79-R82 PolarHBondContact O-N 2.83Å; M79-F83 WeakPolarHBondContact O-CB 3.29Å; M79-F83 PolarHBondContact O-N 2.79Å
80	F	54.3	Low	54.4	Low	126 Å²	126	130 Å²	130	55%	0.553	64%	0.636	S	S	*	*	H	α-helix	trans	-61.4	-36.1	178.7	-115.1	-97.9	0	0	0	112.7	L76 Q84	L76-F80 HydrophobicContact CB-CD2 4.21Å; L76-F80 HydrophobicContact CD2-CD2 3.75Å; L76-F80 HydrophobicContact CD2-CE2 3.84Å; L76-F80 VanDerWaalsContact O-CB 3.26Å; L76-F80 WeakPolarHBondContact O-CB 3.37Å; L76-F80 WeakPolarHBondContact O-CD2 3.34Å; L76-F80 PolarHBondContact O-N 3.34Å; F80-Q84 WeakPolarHBondContact O-CB 3.26Å; F80-Q84 PolarHBondContact O-N 2.81Å
81	K	55.1	Low	56.1	Low	148 Å²	148	125 Å²	125	64%	0.643	61%	0.61	S	S	*	*	H	α-helix	trans	-71.8	-36.8	178.7	-77.7	-176.1	177.1	178.3	0	113.3	M79 F85	M79-K81 VanDerWaalsContact C-N 3.31Å; M79-K81 PolarHBondContact O-N 3.44Å; K81-F85 PolarHBondContact O-N 3.22Å
82	R	57	Low	58.1	Low	198 Å²	198	120.8 Å²	120.8	75%	0.747	60%	0.597	S	S	*	*	H	α-helix	trans	-73.1	-36.6	174.2	-70.5	-174.2	179.4	-165.5	0.3	112.1	M79 F85 F86	M79-R82 PolarHBondContact O-N 2.83Å; R82-F85 PolarHBondContact O-N 3.17Å; R82-F86 PolarHBondContact O-N 3.48Å
83	F	56.6	Low	60	Low	121 Å²	121	117.3 Å²	117.3	53%	0.531	58%	0.583	S	S	.	*	H	α-helix	trans	-66.2	-37.6	171	-100	-92.1	0	0	0	112.4	M79 F85 F86 F87	M79-F83 WeakPolarHBondContact O-CB 3.29Å; M79-F83 PolarHBondContact O-N 2.79Å; F83-F85 VanDerWaalsContact C-N 3.33Å; F83-F85 PolarHBondContact O-N 3.41Å; F83-F86 PolarHBondContact O-N 2.86Å; F83-F87 HydrophobicContact CD1-CD2 4.08Å; F83-F87 AromaticContact CD1-CE2 3.96Å; F83-F87 HydrophobicContact CD1-CE2 3.96Å; F83-F87 HydrophobicContact CE1-CE2 4.3Å; F83-F87 WeakPolarHBondContact O-CB 3.23Å; F83-F87 PolarHBondContact O-N 3.33Å
84	Q	57.3	Low	62.5	Low	129 Å²	129	118.1 Å²	118.1	60%	0.603	58%	0.58	S	S	*	*	H	α-helix	trans	-66.4	-34.1	177.8	-169.9	174.2	1.4	0	0	111.8	F80 S88	F80-Q84 WeakPolarHBondContact O-CB 3.26Å; F80-Q84 PolarHBondContact O-N 2.81Å; Q84-S88 WeakPolarHBondContact O-CB 3.46Å; Q84-S88 PolarHBondContact O-N 3.45Å
85	F	58.2	Low	64.6	Low	143 Å²	143	116.7 Å²	116.7	63%	0.627	57%	0.572	S	S	*	*	H	α-helix	trans	-71.3	-42.7	173.7	-160.5	-96.3	0	0	0	112.5	K81 R82 F83 S88 I89	K81-F85 PolarHBondContact O-N 3.22Å; R82-F85 PolarHBondContact O-N 3.17Å; F83-F85 VanDerWaalsContact C-N 3.33Å; F83-F85 PolarHBondContact O-N 3.41Å; F85-S88 PolarHBondContact O-N 2.88Å; F85-I89 HydrophobicContact CD1-CD1 4.35Å; F85-I89 HydrophobicContact CE1-CD1 3.75Å; F85-I89 HydrophobicContact CE2-CD1 3.95Å; F85-I89 HydrophobicContact CZ-CD1 3.53Å; F85-I89 PolarHBondContact O-N 2.84Å
86	F	57.6	Low	66.5	Low	130 Å²	130	114 Å²	114	57%	0.57	56%	0.557	S	S	*	*	H	α-helix	trans	-62.2	-43.5	174.4	-107.5	-96.4	0	0	0	111.9	R82 F83 I90 G91	R82-F86 PolarHBondContact O-N 3.48Å; F83-F86 PolarHBondContact O-N 2.86Å; F86-I90 HydrophobicContact CD1-CB 4.4Å; F86-I90 HydrophobicContact CD1-CD1 3.37Å; F86-I90 HydrophobicContact CD1-CG1 4.44Å; F86-I90 HydrophobicContact CD2-CD1 4.45Å; F86-I90 HydrophobicContact CE1-CD1 3.3Å; F86-I90 HydrophobicContact CE2-CD1 4.4Å; F86-I90 HydrophobicContact CG-CD1 3.97Å; F86-I90 HydrophobicContact CZ-CD1 3.85Å; F86-I90 WeakPolarHBondContact O-CA 3.37Å; F86-I90 VanDerWaalsContact O-CB 3.3Å; F86-I90 WeakPolarHBondContact O-CB 3.26Å; F86-I90 PolarHBondContact O-N 3.36Å; F86-G91 PolarHBondContact O-N 3.35Å
87	F	61.2	Low	68.6	Low	148 Å²	148	113.9 Å²	113.9	65%	0.649	56%	0.556	S	S	*	*	H	α-helix	trans	-75.1	-24.8	177.6	-93.3	-86.9	0	0	0	114	F83 P92	F83-F87 HydrophobicContact CD1-CD2 4.08Å; F83-F87 AromaticContact CD1-CE2 3.96Å; F83-F87 HydrophobicContact CD1-CE2 3.96Å; F83-F87 HydrophobicContact CE1-CE2 4.3Å; F83-F87 WeakPolarHBondContact O-CB 3.23Å; F83-F87 PolarHBondContact O-N 3.33Å; F87-P92 VanDerWaalsContact O-CD 3.3Å; F87-P92 WeakPolarHBondContact O-CD 3.47Å
88	S	66.6	Low	70.6	Confident	88 Å²	88	113.3 Å²	113.3	62%	0.615	55%	0.551	S	S	*	*	H	α-helix	trans	-80.6	-21.6	179.5	-171	0	0	0	0	113.8	Q84 F85	Q84-S88 WeakPolarHBondContact O-CB 3.46Å; Q84-S88 PolarHBondContact O-N 3.45Å; F85-S88 PolarHBondContact O-N 2.88Å
89	I	70.7	Confident	72.4	Confident	81 Å²	81	110.7 Å²	110.7	42%	0.415	54%	0.539	S	S	.	.	H	α-helix	trans	-119.6	-48.1	-177.9	-57.4	178.3	0	0	0	111.8	F85 I93	F85-I89 HydrophobicContact CD1-CD1 4.35Å; F85-I89 HydrophobicContact CE1-CD1 3.75Å; F85-I89 HydrophobicContact CE2-CD1 3.95Å; F85-I89 HydrophobicContact CZ-CD1 3.53Å; F85-I89 PolarHBondContact O-N 2.84Å; I89-I93 HydrophobicContact CG2-CD1 4.26Å; I89-I93 VanDerWaalsContact O-CD1 3.27Å; I89-I93 WeakPolarHBondContact O-CD1 3.18Å; I89-I93 VanDerWaalsContact O-CG1 3.27Å; I89-I93 WeakPolarHBondContact O-CG1 3.32Å
90	I	76.2	Confident	74.3	Confident	67 Å²	67	108.8 Å²	108.8	34%	0.344	53%	0.53	S	S	.	.	H	α-helix	trans	-82.7	-33.6	-174.5	-63	164	0	0	0	111.2	F86 I93 L94	F86-I90 HydrophobicContact CD1-CB 4.4Å; F86-I90 HydrophobicContact CD1-CD1 3.37Å; F86-I90 HydrophobicContact CD1-CG1 4.44Å; F86-I90 HydrophobicContact CD2-CD1 4.45Å; F86-I90 HydrophobicContact CE1-CD1 3.3Å; F86-I90 HydrophobicContact CE2-CD1 4.4Å; F86-I90 HydrophobicContact CG-CD1 3.97Å; F86-I90 HydrophobicContact CZ-CD1 3.85Å; F86-I90 WeakPolarHBondContact O-CA 3.37Å; F86-I90 VanDerWaalsContact O-CB 3.3Å; F86-I90 WeakPolarHBondContact O-CB 3.26Å; F86-I90 PolarHBondContact O-N 3.36Å; I90-I93 PolarHBondContact O-N 3.29Å; I90-L94 HydrophobicContact CG2-CD1 3.74Å; I90-L94 HydrophobicContact CG2-CG 4.06Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.47Å
91	G	79.7	Confident	76.2	Confident	24 Å²	24	108.1 Å²	108.1	25%	0.247	53%	0.532	C	S	.	.	H	α-helix	trans	-55.1	-54.1	175.4	0	0	0	0	0	113.8	F86 I93 L94 L95	F86-G91 PolarHBondContact O-N 3.35Å; G91-I93 VanDerWaalsContact C-N 3.31Å; G91-I93 PolarHBondContact O-N 3.18Å; G91-L94 PolarHBondContact O-N 3.11Å; G91-L95 WeakPolarHBondContact O-CB 3.26Å; G91-L95 PolarHBondContact O-N 3.11Å
92	P	84.5	Confident	78	Confident	75 Å²	75	105.1 Å²	105.1	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-37.7	176.8	-24.1	32.5	0	0	0	113	F87 F96	F87-P92 VanDerWaalsContact O-CD 3.3Å; F87-P92 WeakPolarHBondContact O-CD 3.47Å; P92-F96 WeakPolarHBondContact O-CB 3.44Å; P92-F96 PolarHBondContact O-N 3.47Å
93	I	86.7	Confident	79.8	Confident	91 Å²	91	100.5 Å²	100.5	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-47	178.9	-65.7	169.8	0	0	0	110.8	I89 I90 G91 L95 F96 I97	I89-I93 HydrophobicContact CG2-CD1 4.26Å; I89-I93 VanDerWaalsContact O-CD1 3.27Å; I89-I93 WeakPolarHBondContact O-CD1 3.18Å; I89-I93 VanDerWaalsContact O-CG1 3.27Å; I89-I93 WeakPolarHBondContact O-CG1 3.32Å; I90-I93 PolarHBondContact O-N 3.29Å; G91-I93 VanDerWaalsContact C-N 3.31Å; G91-I93 PolarHBondContact O-N 3.18Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.27Å; I93-F96 PolarHBondContact O-N 2.61Å; I93-I97 HydrophobicContact CG2-CD1 3.9Å; I93-I97 VanDerWaalsContact O-CG1 3.29Å; I93-I97 WeakPolarHBondContact O-CG1 3.42Å; I93-I97 PolarHBondContact O-N 3.35Å
94	L	87.4	Confident	81.5	Confident	109 Å²	109	98.9 Å²	98.9	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-64.2	-39.6	177	-75	173.1	0	0	0	111.9	I90 G91 I97 M98	I90-L94 HydrophobicContact CG2-CD1 3.74Å; I90-L94 HydrophobicContact CG2-CG 4.06Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.47Å; G91-L94 PolarHBondContact O-N 3.11Å; L94-I97 PolarHBondContact O-N 3.26Å; L94-M98 WeakPolarHBondContact O-CB 3.17Å; L94-M98 PolarHBondContact O-N 2.92Å
95	L	87.7	Confident	83.1	Confident	116 Å²	116	99.8 Å²	99.8	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-66.8	-38.9	176.3	-164.1	139.6	0	0	0	111.2	G91 I93 M98 V99	G91-L95 WeakPolarHBondContact O-CB 3.26Å; G91-L95 PolarHBondContact O-N 3.11Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.27Å; L95-M98 PolarHBondContact O-N 3.47Å; L95-V99 HydrophobicContact CD2-CG2 4.21Å; L95-V99 WeakPolarHBondContact O-CB 3.42Å; L95-V99 VanDerWaalsContact O-CG2 3.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 2.98Å
96	F	91	Very high	84.5	Confident	134 Å²	134	100.4 Å²	100.4	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-64.4	-44.2	173.7	-174.4	-107	0	0	0	112.2	P92 I93 V99 I100	P92-F96 WeakPolarHBondContact O-CB 3.44Å; P92-F96 PolarHBondContact O-N 3.47Å; I93-F96 PolarHBondContact O-N 2.61Å; F96-V99 PolarHBondContact O-N 2.85Å; F96-I100 HydrophobicContact CD1-CD1 3.71Å; F96-I100 HydrophobicContact CE1-CD1 3.32Å; F96-I100 HydrophobicContact CE1-CG1 4.34Å; F96-I100 HydrophobicContact CE2-CD1 4.49Å; F96-I100 HydrophobicContact CG-CD1 4.45Å; F96-I100 HydrophobicContact CZ-CD1 3.76Å; F96-I100 HydrophobicContact CZ-CG1 4.45Å; F96-I100 WeakPolarHBondContact O-CG1 3.18Å; F96-I100 PolarHBondContact O-N 3.42Å
97	I	93	Very high	85.9	Confident	82 Å²	82	101 Å²	101	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174	-68.3	167.1	0	0	0	110.5	I93 L94 V99 I100 L101	I93-I97 HydrophobicContact CG2-CD1 3.9Å; I93-I97 VanDerWaalsContact O-CG1 3.29Å; I93-I97 WeakPolarHBondContact O-CG1 3.42Å; I93-I97 PolarHBondContact O-N 3.35Å; L94-I97 PolarHBondContact O-N 3.26Å; I97-V99 PolarHBondContact O-N 2.85Å; I97-I100 PolarHBondContact O-N 3.38Å; I97-L101 HydrophobicContact CG2-CD1 4.02Å; I97-L101 HydrophobicContact CG2-CG 4.38Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.34Å
98	M	93.1	Very high	87	Confident	130 Å²	130	102.5 Å²	102.5	64%	0.64	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-43	177.5	-168.8	-172.8	-171.7	0	0	111.5	L94 L95 L101 V102	L94-M98 WeakPolarHBondContact O-CB 3.17Å; L94-M98 PolarHBondContact O-N 2.92Å; L95-M98 PolarHBondContact O-N 3.47Å; M98-L101 PolarHBondContact O-N 3.16Å; M98-V102 VanDerWaalsContact O-CG2 3.29Å; M98-V102 WeakPolarHBondContact O-CG2 3.48Å; M98-V102 PolarHBondContact O-N 2.78Å
99	V	93.3	Very high	87.7	Confident	70 Å²	70	102.5 Å²	102.5	42%	0.424	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-43.6	174.9	169.5	0	0	0	0	111	L95 F96 I97 L101 V102 L103	L95-V99 HydrophobicContact CD2-CG2 4.21Å; L95-V99 WeakPolarHBondContact O-CB 3.42Å; L95-V99 VanDerWaalsContact O-CG2 3.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 2.98Å; F96-V99 PolarHBondContact O-N 2.85Å; I97-V99 PolarHBondContact O-N 2.85Å; V99-L101 PolarHBondContact O-N 2.92Å; V99-V102 PolarHBondContact O-N 2.8Å; V99-L103 HydrophobicContact CG1-CD1 3.91Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CB 3.26Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 3.21Å
100	I	93.7	Very high	88	Confident	74 Å²	74	102.9 Å²	102.9	38%	0.379	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-46.7	174.7	-71.9	172.1	0	0	0	110.8	F96 I97 V102 L103 V104	F96-I100 HydrophobicContact CD1-CD1 3.71Å; F96-I100 HydrophobicContact CE1-CD1 3.32Å; F96-I100 HydrophobicContact CE1-CG1 4.34Å; F96-I100 HydrophobicContact CE2-CD1 4.49Å; F96-I100 HydrophobicContact CG-CD1 4.45Å; F96-I100 HydrophobicContact CZ-CD1 3.76Å; F96-I100 HydrophobicContact CZ-CG1 4.45Å; F96-I100 WeakPolarHBondContact O-CG1 3.18Å; F96-I100 PolarHBondContact O-N 3.42Å; I97-I100 PolarHBondContact O-N 3.38Å; I100-V102 VanDerWaalsContact C-N 3.34Å; I100-V102 PolarHBondContact O-N 3.48Å; I100-L103 PolarHBondContact O-N 3.39Å; I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CB 3.33Å; I100-V104 VanDerWaalsContact O-CG2 3.26Å; I100-V104 WeakPolarHBondContact O-CG2 3.42Å; I100-V104 PolarHBondContact O-N 3.49Å
101	L	93.9	Very high	87.7	Confident	112 Å²	112	103.8 Å²	103.8	59%	0.586	51%	0.512	S	S	*	.	H	α-helix	trans	-62.3	-40.8	179.1	-72.2	172.7	0	0	0	111.8	I97 M98 V99 V104 Y105	I97-L101 HydrophobicContact CG2-CD1 4.02Å; I97-L101 HydrophobicContact CG2-CG 4.38Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.34Å; M98-L101 PolarHBondContact O-N 3.16Å; V99-L101 PolarHBondContact O-N 2.92Å; L101-V104 PolarHBondContact O-N 3.14Å; L101-Y105 VanDerWaalsContact O-CB 3.26Å; L101-Y105 WeakPolarHBondContact O-CB 3.46Å; L101-Y105 PolarHBondContact O-N 3.16Å
102	V	93.3	Very high	87	Confident	85 Å²	85	106.5 Å²	106.5	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-42.5	174.4	170.9	0	0	0	0	111	M98 V99 I100 Y105 W106	M98-V102 VanDerWaalsContact O-CG2 3.29Å; M98-V102 WeakPolarHBondContact O-CG2 3.48Å; M98-V102 PolarHBondContact O-N 2.78Å; V99-V102 PolarHBondContact O-N 2.8Å; I100-V102 VanDerWaalsContact C-N 3.34Å; I100-V102 PolarHBondContact O-N 3.48Å; V102-Y105 PolarHBondContact O-N 2.05Å; V102-W106 WeakPolarHBondContact O-CB 3.36Å; V102-W106 PolarHBondContact O-N 3.02Å
103	L	93	Very high	86.1	Confident	101 Å²	101	106.6 Å²	106.6	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-39.7	176.4	-72.4	172	0	0	0	112.1	V99 I100 K107	V99-L103 HydrophobicContact CG1-CD1 3.91Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CB 3.26Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 3.21Å; I100-L103 PolarHBondContact O-N 3.39Å; L103-K107 WeakPolarHBondContact O-CB 3.23Å; L103-K107 PolarHBondContact O-N 2.71Å
104	V	92.7	Very high	84.9	Confident	88 Å²	88	109.2 Å²	109.2	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-44.8	175.3	170	0	0	0	0	110.5	I100 L101 K107 R108	I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CB 3.33Å; I100-V104 VanDerWaalsContact O-CG2 3.26Å; I100-V104 WeakPolarHBondContact O-CG2 3.42Å; I100-V104 PolarHBondContact O-N 3.49Å; L101-V104 PolarHBondContact O-N 3.14Å; V104-K107 PolarHBondContact O-N 3.22Å; V104-R108 WeakPolarHBondContact O-CB 3.39Å; V104-R108 PolarHBondContact O-N 3.06Å
105	Y	92	Very high	83.7	Confident	148 Å²	148	108.3 Å²	108.3	58%	0.58	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-47.3	176	-178.3	-92.3	0	0	0	111.2	L101 V102 K107 R108 E109	L101-Y105 VanDerWaalsContact O-CB 3.26Å; L101-Y105 WeakPolarHBondContact O-CB 3.46Å; L101-Y105 PolarHBondContact O-N 3.16Å; V102-Y105 PolarHBondContact O-N 2.05Å; Y105-K107 PolarHBondContact O-N 2.86Å; Y105-R108 WeakPolarHBondContact O-CB 3.44Å; Y105-R108 PolarHBondContact O-N 3.43Å; Y105-E109 WeakPolarHBondContact CE1-OE2 3.39Å; Y105-E109 WeakPolarHBondContact O-CB 3.45Å; Y105-E109 PolarHBondContact O-N 2.84Å
106	W	87.3	Confident	82.4	Confident	155 Å²	155	107.1 Å²	107.1	59%	0.587	50%	0.504	S	S	*	.	H	α-helix	trans	-63	-42.5	177.5	-172.1	72.2	0	0	0	111.8	V102 R108 E109 Q110	V102-W106 WeakPolarHBondContact O-CB 3.36Å; V102-W106 PolarHBondContact O-N 3.02Å; W106-R108 VanDerWaalsContact C-N 3.33Å; W106-R108 PolarHBondContact O-N 3.38Å; W106-E109 PolarHBondContact O-N 2.96Å; W106-Q110 HydrophobicContact CD2-CG 4.12Å; W106-Q110 HydrophobicContact CZ2-CG 4.12Å; W106-Q110 WeakPolarHBondContact O-CB 3.35Å; W106-Q110 VanDerWaalsContact O-CG 3.26Å; W106-Q110 WeakPolarHBondContact O-CG 3.03Å; W106-Q110 PolarHBondContact O-N 2.81Å
107	K	87.4	Confident	81.2	Confident	143 Å²	143	110.5 Å²	110.5	62%	0.622	51%	0.513	S	S	*	.	H	α-helix	trans	-62.4	-39.7	173.7	-174.8	174	-177.2	177.1	0	111.8	L103 V104 Y105 N111	L103-K107 WeakPolarHBondContact O-CB 3.23Å; L103-K107 PolarHBondContact O-N 2.71Å; V104-K107 PolarHBondContact O-N 3.22Å; Y105-K107 PolarHBondContact O-N 2.86Å; K107-N111 WeakPolarHBondContact O-CB 3.39Å; K107-N111 PolarHBondContact O-N 3.33Å
108	R	84.2	Confident	80.2	Confident	179 Å²	179	107.8 Å²	107.8	68%	0.675	50%	0.499	S	S	*	.	H	α-helix	trans	-64.9	-46.5	175.4	-175.6	178.9	-179.6	177.7	0.1	111.4	V104 Y105 W106 N111 E112	V104-R108 WeakPolarHBondContact O-CB 3.39Å; V104-R108 PolarHBondContact O-N 3.06Å; Y105-R108 WeakPolarHBondContact O-CB 3.44Å; Y105-R108 PolarHBondContact O-N 3.43Å; W106-R108 VanDerWaalsContact C-N 3.33Å; W106-R108 PolarHBondContact O-N 3.38Å; R108-N111 WeakPolarHBondContact O-CB 3.45Å; R108-N111 PolarHBondContact O-N 3.08Å; R108-E112 WeakPolarHBondContact O-CG 3.45Å; R108-E112 PolarHBondContact O-N 3.28Å
109	E	81.9	Confident	79.5	Confident	88 Å²	88	103.6 Å²	103.6	41%	0.411	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-40.5	179.7	-171.4	166.6	-162.1	0	0	112.1	Y105 W106 N111 E112 L113	Y105-E109 WeakPolarHBondContact CE1-OE2 3.39Å; Y105-E109 WeakPolarHBondContact O-CB 3.45Å; Y105-E109 PolarHBondContact O-N 2.84Å; W106-E109 PolarHBondContact O-N 2.96Å; E109-N111 VanDerWaalsContact C-N 3.34Å; E109-N111 PolarHBondContact O-N 3.49Å; E109-E112 PolarHBondContact O-N 2.88Å; E109-L113 HydrophobicContact CG-CD1 4.26Å; E109-L113 WeakPolarHBondContact O-CB 3.02Å; E109-L113 WeakPolarHBondContact O-CG 3.45Å; E109-L113 PolarHBondContact O-N 2.94Å
110	Q	75	Confident	78.9	Confident	89 Å²	89	100.3 Å²	100.3	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-42.2	171.1	-72.8	-64.6	-37.1	0	0	111.6	W106 L113 W114	W106-Q110 HydrophobicContact CD2-CG 4.12Å; W106-Q110 HydrophobicContact CZ2-CG 4.12Å; W106-Q110 WeakPolarHBondContact O-CB 3.35Å; W106-Q110 VanDerWaalsContact O-CG 3.26Å; W106-Q110 WeakPolarHBondContact O-CG 3.03Å; W106-Q110 PolarHBondContact O-N 2.81Å; Q110-L113 PolarHBondContact O-N 2.95Å; Q110-W114 WeakPolarHBondContact O-CB 3.17Å; Q110-W114 PolarHBondContact O-N 3.29Å
111	N	70	Confident	78.6	Confident	87 Å²	87	103.4 Å²	103.4	47%	0.465	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174.6	-90.3	0.5	0	0	0	112.5	K107 R108 E109 W114 K115	K107-N111 WeakPolarHBondContact O-CB 3.39Å; K107-N111 PolarHBondContact O-N 3.33Å; R108-N111 WeakPolarHBondContact O-CB 3.45Å; R108-N111 PolarHBondContact O-N 3.08Å; E109-N111 VanDerWaalsContact C-N 3.34Å; E109-N111 PolarHBondContact O-N 3.49Å; N111-W114 PolarHBondContact O-N 2.81Å; N111-K115 WeakPolarHBondContact O-CB 3.19Å; N111-K115 VanDerWaalsContact O-CG 3.3Å; N111-K115 WeakPolarHBondContact O-CG 3.49Å; N111-K115 PolarHBondContact O-N 3.44Å
112	E	66.5	Low	78.3	Confident	80 Å²	80	99.9 Å²	99.9	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-68.9	-39.5	177.1	-70.5	-56.4	136.1	0	0	112.1	R108 E109 W114 K115 N116	R108-E112 WeakPolarHBondContact O-CG 3.45Å; R108-E112 PolarHBondContact O-N 3.28Å; E109-E112 PolarHBondContact O-N 2.88Å; E112-W114 VanDerWaalsContact C-N 3.34Å; E112-W114 PolarHBondContact O-N 3.41Å; E112-K115 PolarHBondContact O-N 3.49Å; E112-K115 IonicContact OE1-NZ 2.81Å; E112-K115 PolarHBondContact OE1-NZ 3.47Å; E112-N116 WeakPolarHBondContact O-CB 3.31Å; E112-N116 PolarHBondContact O-N 3.4Å
113	L	64.8	Low	78.2	Confident	77 Å²	77	103 Å²	103	40%	0.403	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-39	172.5	-74.4	170.1	0	0	0	111.9	E109 Q110 N116 R117	E109-L113 HydrophobicContact CG-CD1 4.26Å; E109-L113 WeakPolarHBondContact O-CB 3.02Å; E109-L113 WeakPolarHBondContact O-CG 3.45Å; E109-L113 PolarHBondContact O-N 2.94Å; Q110-L113 PolarHBondContact O-N 2.95Å; L113-N116 PolarHBondContact O-N 2.62Å; L113-R117 WeakPolarHBondContact O-CB 3.23Å; L113-R117 WeakPolarHBondContact O-CG 3.07Å; L113-R117 PolarHBondContact O-N 2.98Å
114	W	62.1	Low	78.1	Confident	146 Å²	146	100 Å²	100	55%	0.553	44%	0.439	S	S	*	.	H	α-helix	trans	-66.9	-43.3	176.2	-168.9	86.2	0	0	0	111.3	Q110 N111 E112 R117 N118	Q110-W114 WeakPolarHBondContact O-CB 3.17Å; Q110-W114 PolarHBondContact O-N 3.29Å; N111-W114 PolarHBondContact O-N 2.81Å; E112-W114 VanDerWaalsContact C-N 3.34Å; E112-W114 PolarHBondContact O-N 3.41Å; W114-R117 PolarHBondContact O-N 2.84Å; W114-N118 VanDerWaalsContact CZ2-ND2 3.3Å; W114-N118 WeakPolarHBondContact CZ2-ND2 3.47Å; W114-N118 PolarHBondContact NE1-ND2 3.49Å; W114-N118 VanDerWaalsContact O-CB 3.3Å; W114-N118 WeakPolarHBondContact O-CB 3.39Å; W114-N118 PolarHBondContact O-N 3.5Å
115	K	61.6	Low	78	Confident	90 Å²	90	95.9 Å²	95.9	39%	0.391	41%	0.414	S	S	.	.	H	α-helix	trans	-57.9	-49.7	171.7	-76.2	175.1	-172.9	172.4	0	111.6	N111 E112 R117 N118 Q119	N111-K115 WeakPolarHBondContact O-CB 3.19Å; N111-K115 VanDerWaalsContact O-CG 3.3Å; N111-K115 WeakPolarHBondContact O-CG 3.49Å; N111-K115 PolarHBondContact O-N 3.44Å; E112-K115 PolarHBondContact O-N 3.49Å; E112-K115 IonicContact OE1-NZ 2.81Å; E112-K115 PolarHBondContact OE1-NZ 3.47Å; K115-R117 PolarHBondContact O-N 2.9Å; K115-N118 CarbonylContact O-C 3.57Å; K115-N118 PolarHBondContact O-N 3.34Å; K115-Q119 VanDerWaalsContact O-CG 3.24Å; K115-Q119 WeakPolarHBondContact O-CG 3.25Å; K115-Q119 PolarHBondContact O-N 3.32Å; K115-Q119 VanDerWaalsContact O-N 3.14Å
116	N	61	Low	78.1	Confident	91 Å²	91	93 Å²	93	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-35.3	-177.2	-78.3	-14.8	0	0	0	113	E112 L113 Q119	E112-N116 WeakPolarHBondContact O-CB 3.31Å; E112-N116 PolarHBondContact O-N 3.4Å; L113-N116 PolarHBondContact O-N 2.62Å; N116-Q119 PolarHBondContact OD1-OE1 3.34Å
117	R	65.1	Low	78.3	Confident	206 Å²	206	89.5 Å²	89.5	78%	0.777	40%	0.4	S	S	*	.	H	α-helix	trans	-72.4	-29.1	175.5	-75.7	-174.6	-175.7	-168.1	3.8	113.2	L113 W114 K115	L113-R117 WeakPolarHBondContact O-CB 3.23Å; L113-R117 WeakPolarHBondContact O-CG 3.07Å; L113-R117 PolarHBondContact O-N 2.98Å; W114-R117 PolarHBondContact O-N 2.84Å; K115-R117 PolarHBondContact O-N 2.9Å
118	N	71.4	Confident	78.5	Confident	25 Å²	25	83 Å²	83	13%	0.134	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	13.2	-175.8	-66.4	-8.9	0	0	0	113.3	W114 K115 R799 N800	W114-N118 VanDerWaalsContact CZ2-ND2 3.3Å; W114-N118 WeakPolarHBondContact CZ2-ND2 3.47Å; W114-N118 PolarHBondContact NE1-ND2 3.49Å; W114-N118 VanDerWaalsContact O-CB 3.3Å; W114-N118 WeakPolarHBondContact O-CB 3.39Å; W114-N118 PolarHBondContact O-N 3.5Å; K115-N118 CarbonylContact O-C 3.57Å; K115-N118 PolarHBondContact O-N 3.34Å; N118-R799 CarbonylContact O-C 3.59Å; N118-R799 WeakPolarHBondContact O-CA 3.25Å; N118-R799 VanDerWaalsContact O-CB 3.27Å; N118-R799 WeakPolarHBondContact O-CB 3.29Å; N118-N800 PolarHBondContact O-N 2.97Å
119	Q	78.5	Confident	78.9	Confident	41 Å²	41	74.7 Å²	74.7	19%	0.192	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-86.1	137.5	174.2	-87.6	166.3	-11.1	0	0	111.6	K115 N116 Y121 N800	K115-Q119 VanDerWaalsContact O-CG 3.24Å; K115-Q119 WeakPolarHBondContact O-CG 3.25Å; K115-Q119 PolarHBondContact O-N 3.32Å; K115-Q119 VanDerWaalsContact O-N 3.14Å; N116-Q119 PolarHBondContact OD1-OE1 3.34Å; Q119-Y121 HydrophobicContact CB-CD2 4.02Å; Q119-Y121 HydrophobicContact CB-CE2 3.39Å; Q119-Y121 PolarHBondContact OE1-OH 2.99Å; Q119-N800 WeakPolarHBondContact CA-O 3.02Å
120	C	82.5	Confident	79.4	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.007	35%	0.35	C	S	.	.			trans	-88.5	111.3	175.5	-176.1	0	0	0	0	111.4	C125 R799 N800 P802	C120-C125 HydrophobicContact CB-CB 3.56Å; C120-C125 WeakPolarHBondContact CB-SG 3.41Å; C120-C125 WeakPolarHBondContact O-CB 3.47Å; C120-C125 WeakPolarHBondContact SG-CB 3.21Å; C120-C125 CovalentContact SG-SG 2.01Å; C120-C125 PolarHBondContact SG-SG 3.05Å; C120-R799 HydrophobicContact CB-CB 4.11Å; C120-N800 PolarHBondContact N-O 3.27Å; C120-P802 WeakPolarHBondContact O-CD 3.32Å; C120-P802 VanDerWaalsContact O-CG 3.3Å; C120-P802 WeakPolarHBondContact O-CG 3.32Å
121	Y	86	Confident	80.2	Confident	139 Å²	139	72 Å²	72	55%	0.545	34%	0.343	S	S	.	.			trans	-105.3	19.2	-179.8	-70	-76.4	0	0	0	113.7	Q119 L126 P802	Q119-Y121 HydrophobicContact CB-CD2 4.02Å; Q119-Y121 HydrophobicContact CB-CE2 3.39Å; Q119-Y121 PolarHBondContact OE1-OH 2.99Å; Y121-L126 HydrophobicContact CD1-CD2 4.43Å; Y121-P802 HydrophobicContact CD1-CB 4.4Å; Y121-P802 HydrophobicContact CE1-CB 4.04Å
122	T	88	Confident	81.3	Confident	39 Å²	39	68 Å²	68	24%	0.239	32%	0.321	C	S	.	.	S	Bend	trans	-67.9	159.6	171.8	75.4	0	0	0	0	110.1	E124 C125 L126 N684	T122-E124 WeakPolarHBondContact CB-OE2 3.3Å; T122-E124 PolarHBondContact O-N 3.14Å; T122-E124 PolarHBondContact OG1-OE2 3.4Å; T122-C125 PolarHBondContact O-N 3.48Å; T122-C125 VanDerWaalsContact O-N 3.15Å; T122-C125 PolarHBondContact OG1-N 3.37Å; T122-C125 PolarHBondContact OG1-SG 3.19Å; T122-L126 PolarHBondContact O-N 3.32Å; T122-N684 HydrophobicContact CG2-CB 4.34Å
123	K	91.2	Very high	82.5	Confident	150 Å²	150	66.8 Å²	66.8	65%	0.652	32%	0.319	S	S	*	.	H	α-helix	trans	-51.5	-44	176	177.4	-173.6	174.4	-171.2	0	111.1	L126 I127	K123-L126 PolarHBondContact O-N 3.2Å; K123-I127 HydrophobicContact CD-CD1 4.44Å; K123-I127 HydrophobicContact CG-CD1 3.82Å; K123-I127 WeakPolarHBondContact O-CG1 3.46Å; K123-I127 PolarHBondContact O-N 3.03Å
124	E	91	Very high	83.9	Confident	39 Å²	39	65 Å²	65	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-69.7	-36.5	-176.6	-55.2	78.8	-144.3	0	0	112	T122 S128 L678 H682 N684	T122-E124 WeakPolarHBondContact CB-OE2 3.3Å; T122-E124 PolarHBondContact O-N 3.14Å; T122-E124 PolarHBondContact OG1-OE2 3.4Å; E124-S128 VanDerWaalsContact O-CB 3.28Å; E124-S128 WeakPolarHBondContact O-CB 3.42Å; E124-S128 PolarHBondContact O-N 2.84Å; E124-S128 PolarHBondContact O-OG 2.79Å; E124-L678 HydrophobicContact CB-CD1 4.42Å; E124-H682 VanDerWaalsContact CG-CE1 3.46Å; E124-H682 WeakPolarHBondContact CG-CE1 3.44Å; E124-H682 IonicContact OE2-CE1 3.47Å; E124-N684 PolarHBondContact OE2-ND2 2.93Å
125	C	91.2	Very high	85.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-40	174.1	-71.3	0	0	0	0	112.3	C120 T122 S129 N684 L685 L801	C120-C125 HydrophobicContact CB-CB 3.56Å; C120-C125 WeakPolarHBondContact CB-SG 3.41Å; C120-C125 WeakPolarHBondContact O-CB 3.47Å; C120-C125 WeakPolarHBondContact SG-CB 3.21Å; C120-C125 CovalentContact SG-SG 2.01Å; C120-C125 PolarHBondContact SG-SG 3.05Å; T122-C125 PolarHBondContact O-N 3.48Å; T122-C125 VanDerWaalsContact O-N 3.15Å; T122-C125 PolarHBondContact OG1-N 3.37Å; T122-C125 PolarHBondContact OG1-SG 3.19Å; C125-S129 VanDerWaalsContact O-CB 3.28Å; C125-S129 WeakPolarHBondContact O-CB 3.38Å; C125-S129 PolarHBondContact O-N 3.06Å; C125-S129 PolarHBondContact O-OG 3.41Å; C125-N684 PolarHBondContact SG-O 3.47Å; C125-L685 HydrophobicContact CB-CD2 4.35Å; C125-L801 HydrophobicContact CB-CD2 3.91Å
126	L	92.4	Very high	87	Confident	87 Å²	87	54.9 Å²	54.9	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-45.5	176.3	-67.7	171.4	0	0	0	111.9	Y121 T122 K123 S129 S130 P802	Y121-L126 HydrophobicContact CD1-CD2 4.43Å; T122-L126 PolarHBondContact O-N 3.32Å; K123-L126 PolarHBondContact O-N 3.2Å; L126-S129 PolarHBondContact O-N 3.18Å; L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 2.86Å; L126-P802 HydrophobicContact CD2-CB 4.43Å; L126-P802 HydrophobicContact CD2-CG 3.74Å
127	I	92.2	Very high	88.6	Confident	83 Å²	83	52.2 Å²	52.2	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-49.5	176.5	-68.8	168.8	0	0	0	110.3	K123 S129 S130 S131 L678	K123-I127 HydrophobicContact CD-CD1 4.44Å; K123-I127 HydrophobicContact CG-CD1 3.82Å; K123-I127 WeakPolarHBondContact O-CG1 3.46Å; K123-I127 PolarHBondContact O-N 3.03Å; I127-S129 PolarHBondContact O-N 2.97Å; I127-S130 PolarHBondContact O-N 2.97Å; I127-S131 WeakPolarHBondContact O-CB 3.35Å; I127-S131 PolarHBondContact O-N 3.25Å; I127-L678 HydrophobicContact CB-CD1 4.47Å; I127-L678 HydrophobicContact CG2-CD1 4.03Å
128	S	92.8	Very high	90	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-43.7	-178.9	-55.1	0	0	0	0	111.3	E124 S130 S131 I132 L678 L685	E124-S128 VanDerWaalsContact O-CB 3.28Å; E124-S128 WeakPolarHBondContact O-CB 3.42Å; E124-S128 PolarHBondContact O-N 2.84Å; E124-S128 PolarHBondContact O-OG 2.79Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 3.41Å; S128-S131 PolarHBondContact O-N 2.98Å; S128-I132 WeakPolarHBondContact O-CB 3.44Å; S128-I132 VanDerWaalsContact O-CD1 3.24Å; S128-I132 WeakPolarHBondContact O-CD1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.35Å; S128-I132 PolarHBondContact O-N 3.08Å; S128-L678 VanDerWaalsContact OG-CD2 3.31Å; S128-L678 WeakPolarHBondContact OG-CD2 3.39Å; S128-L685 WeakPolarHBondContact OG-CD2 3.38Å
129	S	92.6	Very high	91.1	Very high	5 Å²	5	53.2 Å²	53.2	4%	0.035	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.9	-56.9	0	0	0	0	112.3	C125 L126 I127 V133 L801 P802	C125-S129 VanDerWaalsContact O-CB 3.28Å; C125-S129 WeakPolarHBondContact O-CB 3.38Å; C125-S129 PolarHBondContact O-N 3.06Å; C125-S129 PolarHBondContact O-OG 3.41Å; L126-S129 PolarHBondContact O-N 3.18Å; I127-S129 PolarHBondContact O-N 2.97Å; S129-V133 WeakPolarHBondContact O-CG2 3.47Å; S129-V133 PolarHBondContact O-N 3.04Å; S129-V133 VanDerWaalsContact O-N 3.11Å; S129-L801 WeakPolarHBondContact OG-CB 3.43Å; S129-P802 WeakPolarHBondContact CB-O 3.28Å; S129-P802 VanDerWaalsContact OG-CD 3.22Å; S129-P802 WeakPolarHBondContact OG-CD 3.41Å; S129-P802 PolarHBondContact OG-O 3.13Å
130	S	92.3	Very high	92	Very high	83 Å²	83	53.5 Å²	53.5	58%	0.58	28%	0.281	S	S	*	.	H	α-helix	trans	-61.9	-47.9	177.5	-171.2	0	0	0	0	110.8	L126 I127 S128 V133 S134	L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 2.86Å; I127-S130 PolarHBondContact O-N 2.97Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 3.41Å; S130-V133 PolarHBondContact O-N 2.96Å; S130-S134 WeakPolarHBondContact O-CB 3.49Å; S130-S134 PolarHBondContact O-N 3.45Å; S130-S134 PolarHBondContact O-OG 3.09Å; S130-S134 VanDerWaalsContact O-OG 3.09Å
131	S	91.2	Very high	92.6	Very high	38 Å²	38	56 Å²	56	27%	0.266	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-44.6	-179.3	-176.1	0	0	0	0	112.2	I127 S128 V133 S134 H135	I127-S131 WeakPolarHBondContact O-CB 3.35Å; I127-S131 PolarHBondContact O-N 3.25Å; S128-S131 PolarHBondContact O-N 2.98Å; S131-V133 PolarHBondContact O-N 2.92Å; S131-S134 WeakPolarHBondContact CA-OG 3.18Å; S131-S134 PolarHBondContact O-N 3.03Å; S131-S134 PolarHBondContact O-OG 3.03Å; S131-H135 PolarHBondContact O-CD2 3.47Å; S131-H135 PolarHBondContact O-CE1 2.78Å; S131-H135 VanDerWaalsContact O-CG 3.23Å; S131-H135 PolarHBondContact O-N 2.97Å; S131-H135 PolarHBondContact O-ND1 3.32Å; S131-H135 PolarHBondContact OG-CE1 3.38Å
132	I	93.1	Very high	93.2	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-51.3	177.7	-67.4	157.7	0	0	0	110	S128 S134 H135 M136 F689 L801 L811 L814 I815 Q818	S128-I132 WeakPolarHBondContact O-CB 3.44Å; S128-I132 VanDerWaalsContact O-CD1 3.24Å; S128-I132 WeakPolarHBondContact O-CD1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.35Å; S128-I132 PolarHBondContact O-N 3.08Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.94Å; I132-H135 PolarHBondContact O-N 2.85Å; I132-M136 HydrophobicContact CG2-SD 4.26Å; I132-M136 VanDerWaalsContact O-CG 3.29Å; I132-M136 WeakPolarHBondContact O-CG 3.42Å; I132-F689 HydrophobicContact CD1-CD2 4.13Å; I132-F689 HydrophobicContact CD1-CE2 4Å; I132-F689 HydrophobicContact CG1-CE2 4.48Å; I132-L801 HydrophobicContact CD1-CD1 3.37Å; I132-L811 HydrophobicContact CD1-CD1 4.17Å; I132-L814 HydrophobicContact CG2-CD2 3.46Å; I132-L814 VanDerWaalsContact CG2-CD2 3.46Å; I132-L814 HydrophobicContact CG2-CG 4.19Å; I132-I815 HydrophobicContact CD1-CD1 3.53Å; I132-I815 HydrophobicContact CG1-CD1 3.56Å; I132-Q818 PolarHBondContact O-NE2 2.95Å
133	V	92.3	Very high	93.6	Very high	55 Å²	55	49.1 Å²	49.1	33%	0.333	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-33.7	-175.5	174.7	0	0	0	0	111.8	S129 S130 S131 M136 V804	S129-V133 WeakPolarHBondContact O-CG2 3.47Å; S129-V133 PolarHBondContact O-N 3.04Å; S129-V133 VanDerWaalsContact O-N 3.11Å; S130-V133 PolarHBondContact O-N 2.96Å; S131-V133 PolarHBondContact O-N 2.92Å; V133-M136 PolarHBondContact O-N 3.39Å; V133-V804 HydrophobicContact CG2-CG2 4.03Å
134	S	92.9	Very high	93.9	Very high	40 Å²	40	46.8 Å²	46.8	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-31.1	179.4	54.4	0	0	0	0	113.7	S130 S131 I132 S153	S130-S134 WeakPolarHBondContact O-CB 3.49Å; S130-S134 PolarHBondContact O-N 3.45Å; S130-S134 PolarHBondContact O-OG 3.09Å; S130-S134 VanDerWaalsContact O-OG 3.09Å; S131-S134 WeakPolarHBondContact CA-OG 3.18Å; S131-S134 PolarHBondContact O-N 3.03Å; S131-S134 PolarHBondContact O-OG 3.03Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.94Å; S134-S153 VanDerWaalsContact O-CB 3.25Å; S134-S153 WeakPolarHBondContact O-CB 3.42Å
135	H	94	Very high	94.2	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.06	26%	0.263	C	S	.	.	H	α-helix	trans	-80.8	-20	-179.7	-55.5	157.7	0	0	0	113.4	S131 I132 A150 C151 G152 S153 Y154	S131-H135 PolarHBondContact O-CD2 3.47Å; S131-H135 PolarHBondContact O-CE1 2.78Å; S131-H135 VanDerWaalsContact O-CG 3.23Å; S131-H135 PolarHBondContact O-N 2.97Å; S131-H135 PolarHBondContact O-ND1 3.32Å; S131-H135 PolarHBondContact OG-CE1 3.38Å; I132-H135 PolarHBondContact O-N 2.85Å; H135-A150 CarbonylContact C-O 3.56Å; H135-C151 CarbonylContact O-C 3.52Å; H135-C151 WeakPolarHBondContact O-CA 3.22Å; H135-G152 PolarHBondContact O-N 3.11Å; H135-S153 WeakPolarHBondContact O-CA 3.24Å; H135-S153 PolarHBondContact O-N 3.22Å; H135-Y154 HydrophobicContact CB-CD2 4.42Å; H135-Y154 AromaticContact CD2-CD2 3.6Å; H135-Y154 AromaticContact CE1-CD2 3.86Å; H135-Y154 AromaticContact CG-CD2 3.75Å; H135-Y154 AromaticContact ND1-CD2 3.9Å; H135-Y154 AromaticContact NE2-CD2 3.72Å; H135-Y154 PolarHBondContact O-N 3.01Å
136	M	94.7	Very high	94.5	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.044	26%	0.263	C	S	.	.			trans	-75.5	144.2	-174.9	-68.5	178.7	75.9	0	0	112.7	I132 V133 Y149 S153 F806 L814	I132-M136 HydrophobicContact CG2-SD 4.26Å; I132-M136 VanDerWaalsContact O-CG 3.29Å; I132-M136 WeakPolarHBondContact O-CG 3.42Å; V133-M136 PolarHBondContact O-N 3.39Å; M136-Y149 VanDerWaalsContact CA-O 3.31Å; M136-Y149 WeakPolarHBondContact CA-O 3.48Å; M136-Y149 HydrophobicContact CE-CD1 4.21Å; M136-Y149 HydrophobicContact CE-CD2 4.47Å; M136-Y149 HydrophobicContact CE-CE1 3.44Å; M136-Y149 VanDerWaalsContact CE-CE1 3.44Å; M136-Y149 HydrophobicContact CE-CE2 3.79Å; M136-Y149 VanDerWaalsContact CE-OH 3.23Å; M136-Y149 WeakPolarHBondContact CE-OH 3.43Å; M136-S153 WeakPolarHBondContact O-CB 3.3Å; M136-S153 PolarHBondContact O-OG 3.49Å; M136-F806 HydrophobicContact CE-CE1 4.37Å; M136-F806 HydrophobicContact CE-CE2 3.56Å; M136-F806 HydrophobicContact CE-CZ 3.3Å; M136-F806 HydrophobicContact SD-CE2 3.58Å; M136-F806 VanDerWaalsContact SD-CE2 3.58Å; M136-F806 HydrophobicContact SD-CZ 3.94Å; M136-L814 HydrophobicContact CE-CD1 3.95Å; M136-L814 HydrophobicContact CE-CD2 4.09Å; M136-L814 HydrophobicContact CG-CD1 4.05Å; M136-L814 HydrophobicContact SD-CD1 4.05Å; M136-L814 HydrophobicContact SD-CD2 3.66Å; M136-L814 HydrophobicContact SD-CG 4.48Å
137	N	96	Very high	94.8	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	24%	0.243	C	C	.	.			trans	-112.6	92.4	166.1	-173.6	-6.2	0	0	0	110.2	T139 I140 Q148 Y149	N137-T139 PolarHBondContact O-N 2.92Å; N137-T139 VanDerWaalsContact O-N 3.11Å; N137-T139 WeakPolarHBondContact OD1-CB 3.34Å; N137-T139 PolarHBondContact OD1-N 3.35Å; N137-T139 VanDerWaalsContact OD1-N 3.11Å; N137-T139 PolarHBondContact OD1-OG1 2.98Å; N137-I140 HydrophobicContact CB-CD1 4.48Å; N137-I140 PolarHBondContact O-N 3.49Å; N137-Q148 WeakPolarHBondContact CB-O 3.4Å; N137-Y149 PolarHBondContact N-O 3.01Å
138	K	92.7	Very high	95	Very high	125 Å²	125	41.5 Å²	41.5	54%	0.543	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-3.4	-178.9	-63.4	-177.3	-177.9	177.1	0	114.2	I140	K138-I140 VanDerWaalsContact C-N 3.26Å
139	T	96.1	Very high	95.2	Very high	127 Å²	127	42.2 Å²	42.2	78%	0.779	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17	172.8	70.7	0	0	0	0	112.3	N137	N137-T139 PolarHBondContact O-N 2.92Å; N137-T139 VanDerWaalsContact O-N 3.11Å; N137-T139 WeakPolarHBondContact OD1-CB 3.34Å; N137-T139 PolarHBondContact OD1-N 3.35Å; N137-T139 VanDerWaalsContact OD1-N 3.11Å; N137-T139 PolarHBondContact OD1-OG1 2.98Å
140	I	96.3	Very high	95.5	Very high	46 Å²	46	42 Å²	42	24%	0.236	24%	0.236	C	C	.	.	S	Bend	trans	-99.4	137.7	179	-62.2	175	0	0	0	108.7	N137 K138 N145 Q148 Y149	N137-I140 HydrophobicContact CB-CD1 4.48Å; N137-I140 PolarHBondContact O-N 3.49Å; K138-I140 VanDerWaalsContact C-N 3.26Å; I140-N145 HydrophobicContact CG2-CB 4.06Å; I140-Q148 HydrophobicContact CD1-CB 3.53Å; I140-Q148 HydrophobicContact CD1-CG 4.47Å; I140-Q148 HydrophobicContact CG2-CB 4.3Å; I140-Y149 WeakPolarHBondContact O-CD2 3.4Å
141	S	96.6	Very high	95.7	Very high	53 Å²	53	38.5 Å²	38.5	37%	0.371	21%	0.211	S	C	.	.			trans	-75.4	134.8	176.2	172.4	0	0	0	0	110.4	C143 E144 N145	S141-C143 PolarHBondContact O-N 3.28Å; S141-C143 VanDerWaalsContact O-N 3.08Å; S141-C143 PolarHBondContact OG-N 3.42Å; S141-E144 PolarHBondContact O-N 3.23Å; S141-N145 PolarHBondContact O-N 2.86Å
142	P	97	Very high	95.8	Very high	25 Å²	25	38.1 Å²	38.1	16%	0.162	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.4	174.8	25.8	-34.5	0	0	0	113.1	F146 Y149 F860 M868	P142-F146 HydrophobicContact CB-CD2 3.74Å; P142-F146 HydrophobicContact CB-CE2 4.09Å; P142-Y149 HydrophobicContact CB-CD1 3.81Å; P142-Y149 HydrophobicContact CB-CD2 4.43Å; P142-Y149 HydrophobicContact CB-CE1 4.01Å; P142-Y149 HydrophobicContact CB-CG 4.01Å; P142-F860 HydrophobicContact CB-CD1 3.69Å; P142-F860 HydrophobicContact CB-CE1 4.09Å; P142-F860 HydrophobicContact CB-CG 4.32Å; P142-F860 HydrophobicContact CG-CD1 3.76Å; P142-F860 HydrophobicContact CG-CE1 4.41Å; P142-M868 WeakPolarHBondContact O-CG 3.27Å
143	C	97.8	Very high	95.9	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.061	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.7	178.5	-59.8	0	0	0	0	114.1	S141 C862 T866 M868	S141-C143 PolarHBondContact O-N 3.28Å; S141-C143 VanDerWaalsContact O-N 3.08Å; S141-C143 PolarHBondContact OG-N 3.42Å; C143-C862 WeakPolarHBondContact CA-SG 3.36Å; C143-C862 HydrophobicContact CB-CB 3.66Å; C143-C862 WeakPolarHBondContact CB-SG 3.35Å; C143-C862 WeakPolarHBondContact SG-CA 3.11Å; C143-C862 WeakPolarHBondContact SG-CB 2.98Å; C143-C862 CovalentContact SG-SG 2.05Å; C143-C862 PolarHBondContact SG-SG 3.47Å; C143-T866 HydrophobicContact CB-CG2 4.49Å; C143-T866 WeakPolarHBondContact O-CB 3.12Å; C143-T866 PolarHBondContact O-OG1 3.05Å; C143-M868 WeakPolarHBondContact O-CB 3.46Å; C143-M868 WeakPolarHBondContact O-CG 3.26Å; C143-M868 PolarHBondContact O-N 3.36Å
144	E	97.3	Very high	95.9	Very high	102 Å²	102	39.5 Å²	39.5	48%	0.477	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-50.6	177.8	-66.5	-58.9	142.6	0	0	111.2	S141 P867	S141-E144 PolarHBondContact O-N 3.23Å; E144-P867 WeakPolarHBondContact O-CB 3.48Å; E144-P867 WeakPolarHBondContact OE2-CD 3.36Å
145	N	97.1	Very high	95.4	Very high	32 Å²	32	44.5 Å²	44.5	17%	0.171	23%	0.234	C	C	.	.			trans	-150	98.9	177.4	-171.4	-32.1	0	0	0	109.1	I140 S141 F147 Q148 Y149 E843 N847	I140-N145 HydrophobicContact CG2-CB 4.06Å; S141-N145 PolarHBondContact O-N 2.86Å; N145-F147 PolarHBondContact OD1-N 3.45Å; N145-Q148 HydrophobicContact CB-CB 4.17Å; N145-Q148 HydrophobicContact CB-CG 4.49Å; N145-Q148 VanDerWaalsContact ND2-CG 3.35Å; N145-Q148 WeakPolarHBondContact ND2-CG 3.46Å; N145-Q148 WeakPolarHBondContact OD1-CB 3.47Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.49Å; N145-Q148 PolarHBondContact OD1-N 2.97Å; N145-Y149 WeakPolarHBondContact O-CB 3.34Å; N145-Y149 PolarHBondContact O-N 2.99Å; N145-E843 PolarHBondContact ND2-OE1 3.36Å; N145-N847 PolarHBondContact OD1-ND2 3.44Å
146	F	98	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.9	-36.6	-173.9	-170	-112.4	0	0	0	112.3	P142 Y149 A150 Y813 A817 V846 N847 M850 F856 F860 M868	P142-F146 HydrophobicContact CB-CD2 3.74Å; P142-F146 HydrophobicContact CB-CE2 4.09Å; F146-Y149 AromaticContact CD2-CD1 3.98Å; F146-Y149 HydrophobicContact CD2-CD1 3.98Å; F146-Y149 AromaticContact CE2-CD1 3.84Å; F146-Y149 HydrophobicContact CE2-CD1 3.84Å; F146-Y149 HydrophobicContact CE2-CE1 4.17Å; F146-Y149 WeakPolarHBondContact O-CB 3.3Å; F146-Y149 PolarHBondContact O-N 2.96Å; F146-A150 WeakPolarHBondContact O-CB 3.29Å; F146-A150 PolarHBondContact O-N 2.89Å; F146-Y813 WeakPolarHBondContact CE1-O 3.44Å; F146-A817 HydrophobicContact CD1-CB 3.9Å; F146-A817 HydrophobicContact CE1-CB 3.57Å; F146-V846 HydrophobicContact CD1-CG1 4.28Å; F146-N847 PolarHBondContact N-OD1 3.11Å; F146-M850 HydrophobicContact CB-CG 4.14Å; F146-M850 HydrophobicContact CD1-CE 4.41Å; F146-M850 HydrophobicContact CD1-CG 3.58Å; F146-M850 HydrophobicContact CD1-SD 4.03Å; F146-M850 HydrophobicContact CE1-CE 4.47Å; F146-M850 HydrophobicContact CE1-CG 4.3Å; F146-M850 HydrophobicContact CE1-SD 4.14Å; F146-M850 HydrophobicContact CG-CG 4.07Å; F146-F856 HydrophobicContact CB-CZ 4.08Å; F146-F856 AromaticContact CD1-CE2 3.92Å; F146-F856 HydrophobicContact CD1-CE2 3.92Å; F146-F856 HydrophobicContact CD1-CZ 4.19Å; F146-F856 AromaticContact CD2-CE2 3.66Å; F146-F856 HydrophobicContact CD2-CE2 3.66Å; F146-F856 AromaticContact CD2-CZ 3.45Å; F146-F856 HydrophobicContact CD2-CZ 3.45Å; F146-F856 VanDerWaalsContact CD2-CZ 3.45Å; F146-F856 AromaticContact CE1-CE2 3.86Å; F146-F856 HydrophobicContact CE1-CE2 3.86Å; F146-F856 AromaticContact CE2-CE2 3.62Å; F146-F856 HydrophobicContact CE2-CE2 3.62Å; F146-F856 AromaticContact CE2-CZ 3.87Å; F146-F856 HydrophobicContact CE2-CZ 3.87Å; F146-F856 AromaticContact CG-CE2 3.81Å; F146-F856 HydrophobicContact CG-CE2 3.81Å; F146-F856 AromaticContact CG-CZ 3.63Å; F146-F856 HydrophobicContact CG-CZ 3.63Å; F146-F856 AromaticContact CZ-CE2 3.72Å; F146-F856 HydrophobicContact CZ-CE2 3.72Å; F146-F856 HydrophobicContact CZ-CZ 4.38Å; F146-F860 HydrophobicContact CE2-CD1 4.49Å; F146-F860 HydrophobicContact CE2-CD2 4.46Å; F146-F860 AromaticContact CE2-CE1 3.86Å; F146-F860 HydrophobicContact CE2-CE1 3.86Å; F146-F860 AromaticContact CE2-CE2 3.83Å; F146-F860 HydrophobicContact CE2-CE2 3.83Å; F146-F860 AromaticContact CE2-CZ 3.5Å; F146-F860 HydrophobicContact CE2-CZ 3.5Å; F146-F860 VanDerWaalsContact CE2-CZ 3.5Å; F146-F860 HydrophobicContact CZ-CE2 4.04Å; F146-F860 AromaticContact CZ-CZ 3.83Å; F146-F860 HydrophobicContact CZ-CZ 3.83Å; F146-M868 HydrophobicContact CB-CG 4.35Å; F146-M868 HydrophobicContact CB-SD 3.96Å
147	F	97.6	Very high	93.3	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-51.8	174.9	-178.6	-94.3	0	0	0	111.3	N145 Y149 A150 C151 F820 H822 E843 V846 N847	N145-F147 PolarHBondContact OD1-N 3.45Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.29Å; F147-A150 PolarHBondContact O-N 3.23Å; F147-A150 VanDerWaalsContact O-N 3.08Å; F147-C151 HydrophobicContact CD1-CB 4.47Å; F147-C151 HydrophobicContact CE1-CB 4.18Å; F147-C151 HydrophobicContact CE2-CB 4.36Å; F147-C151 HydrophobicContact CZ-CB 4.13Å; F147-C151 WeakPolarHBondContact O-CB 3.48Å; F147-C151 PolarHBondContact O-N 3.38Å; F147-F820 HydrophobicContact CE2-CB 4.12Å; F147-F820 WeakPolarHBondContact CE2-O 3.39Å; F147-H822 AromaticContact CZ-CD2 3.81Å; F147-H822 AromaticContact CZ-NE2 3.83Å; F147-E843 HydrophobicContact CB-CB 4.32Å; F147-E843 HydrophobicContact CB-CG 4.01Å; F147-E843 HydrophobicContact CD1-CB 3.58Å; F147-E843 HydrophobicContact CD1-CG 3.78Å; F147-E843 HydrophobicContact CE1-CB 3.96Å; F147-E843 HydrophobicContact CG-CB 3.9Å; F147-E843 HydrophobicContact CG-CG 4.08Å; F147-V846 HydrophobicContact CB-CB 4.38Å; F147-V846 HydrophobicContact CB-CG1 4.35Å; F147-V846 HydrophobicContact CD2-CB 4.06Å; F147-V846 HydrophobicContact CD2-CG1 4.43Å; F147-V846 HydrophobicContact CD2-CG2 4.03Å; F147-N847 PolarHBondContact N-OD1 3.12Å
148	Q	97.1	Very high	91.5	Very high	56 Å²	56	56.2 Å²	56.2	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-32.2	178.7	-69.7	-65.8	-23.8	0	0	112.5	N137 I140 N145 A150 G152 E843	N137-Q148 WeakPolarHBondContact CB-O 3.4Å; I140-Q148 HydrophobicContact CD1-CB 3.53Å; I140-Q148 HydrophobicContact CD1-CG 4.47Å; I140-Q148 HydrophobicContact CG2-CB 4.3Å; N145-Q148 HydrophobicContact CB-CB 4.17Å; N145-Q148 HydrophobicContact CB-CG 4.49Å; N145-Q148 VanDerWaalsContact ND2-CG 3.35Å; N145-Q148 WeakPolarHBondContact ND2-CG 3.46Å; N145-Q148 WeakPolarHBondContact OD1-CB 3.47Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.49Å; N145-Q148 PolarHBondContact OD1-N 2.97Å; Q148-A150 VanDerWaalsContact C-N 3.35Å; Q148-G152 WeakPolarHBondContact O-CA 3.47Å; Q148-G152 PolarHBondContact O-N 3.09Å; Q148-E843 PolarHBondContact NE2-OE2 3.44Å
149	Y	97.5	Very high	89.7	Confident	21 Å²	21	52.1 Å²	52.1	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-41.9	170.1	170.6	-102.9	0	0	0	112.6	M136 N137 I140 P142 N145 F146 F147 F806 L814 F860	M136-Y149 VanDerWaalsContact CA-O 3.31Å; M136-Y149 WeakPolarHBondContact CA-O 3.48Å; M136-Y149 HydrophobicContact CE-CD1 4.21Å; M136-Y149 HydrophobicContact CE-CD2 4.47Å; M136-Y149 HydrophobicContact CE-CE1 3.44Å; M136-Y149 VanDerWaalsContact CE-CE1 3.44Å; M136-Y149 HydrophobicContact CE-CE2 3.79Å; M136-Y149 VanDerWaalsContact CE-OH 3.23Å; M136-Y149 WeakPolarHBondContact CE-OH 3.43Å; N137-Y149 PolarHBondContact N-O 3.01Å; I140-Y149 WeakPolarHBondContact O-CD2 3.4Å; P142-Y149 HydrophobicContact CB-CD1 3.81Å; P142-Y149 HydrophobicContact CB-CD2 4.43Å; P142-Y149 HydrophobicContact CB-CE1 4.01Å; P142-Y149 HydrophobicContact CB-CG 4.01Å; N145-Y149 WeakPolarHBondContact O-CB 3.34Å; N145-Y149 PolarHBondContact O-N 2.99Å; F146-Y149 AromaticContact CD2-CD1 3.98Å; F146-Y149 HydrophobicContact CD2-CD1 3.98Å; F146-Y149 AromaticContact CE2-CD1 3.84Å; F146-Y149 HydrophobicContact CE2-CD1 3.84Å; F146-Y149 HydrophobicContact CE2-CE1 4.17Å; F146-Y149 WeakPolarHBondContact O-CB 3.3Å; F146-Y149 PolarHBondContact O-N 2.96Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.29Å; Y149-F806 WeakPolarHBondContact OH-CE1 3.28Å; Y149-F806 WeakPolarHBondContact OH-CZ 3.14Å; Y149-L814 HydrophobicContact CE1-CD1 4.39Å; Y149-F860 HydrophobicContact CE1-CE1 4.41Å
150	A	97.1	Very high	87.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-81	-35.6	-176.7	0	0	0	0	0	114.2	H135 F146 F147 Q148 L814 A817 Q818	H135-A150 CarbonylContact C-O 3.56Å; F146-A150 WeakPolarHBondContact O-CB 3.29Å; F146-A150 PolarHBondContact O-N 2.89Å; F147-A150 PolarHBondContact O-N 3.23Å; F147-A150 VanDerWaalsContact O-N 3.08Å; Q148-A150 VanDerWaalsContact C-N 3.35Å; A150-L814 HydrophobicContact CB-CD1 3.73Å; A150-A817 HydrophobicContact CB-CB 3.65Å; A150-Q818 HydrophobicContact CB-CG 4.25Å; A150-Q818 PolarHBondContact O-NE2 3.4Å
151	C	96.9	Very high	85.1	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-123.8	-5.4	-168	-65.6	0	0	0	0	114.7	H135 F147 S153 Y154 C821	H135-C151 CarbonylContact O-C 3.52Å; H135-C151 WeakPolarHBondContact O-CA 3.22Å; F147-C151 HydrophobicContact CD1-CB 4.47Å; F147-C151 HydrophobicContact CE1-CB 4.18Å; F147-C151 HydrophobicContact CE2-CB 4.36Å; F147-C151 HydrophobicContact CZ-CB 4.13Å; F147-C151 WeakPolarHBondContact O-CB 3.48Å; F147-C151 PolarHBondContact O-N 3.38Å; C151-S153 PolarHBondContact O-N 3.14Å; C151-Y154 WeakPolarHBondContact O-CB 3.37Å; C151-Y154 PolarHBondContact O-N 3.32Å; C151-C821 WeakPolarHBondContact CA-SG 3.05Å; C151-C821 HydrophobicContact CB-CB 3.74Å; C151-C821 WeakPolarHBondContact CB-SG 3.3Å; C151-C821 WeakPolarHBondContact SG-CA 3.16Å; C151-C821 WeakPolarHBondContact SG-CB 3.21Å; C151-C821 CovalentContact SG-SG 2.04Å; C151-C821 PolarHBondContact SG-SG 2.86Å
152	G	94.7	Very high	82.6	Confident	30 Å²	30	58.9 Å²	58.9	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.6	-170.7	0	0	0	0	0	115.9	H135 Q148	H135-G152 PolarHBondContact O-N 3.11Å; Q148-G152 WeakPolarHBondContact O-CA 3.47Å; Q148-G152 PolarHBondContact O-N 3.09Å
153	S	94.5	Very high	79.9	Confident	52 Å²	52	64.2 Å²	64.2	36%	0.364	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	10.8	170.7	-50.9	0	0	0	0	112.2	S134 H135 M136 C151	S134-S153 VanDerWaalsContact O-CB 3.25Å; S134-S153 WeakPolarHBondContact O-CB 3.42Å; H135-S153 WeakPolarHBondContact O-CA 3.24Å; H135-S153 PolarHBondContact O-N 3.22Å; M136-S153 WeakPolarHBondContact O-CB 3.3Å; M136-S153 PolarHBondContact O-OG 3.49Å; C151-S153 PolarHBondContact O-N 3.14Å
154	Y	91.7	Very high	77.1	Confident	36 Å²	36	64.8 Å²	64.8	14%	0.141	34%	0.34	C	S	.	.			trans	-63.6	141.3	179.3	177.7	-99.1	0	0	0	110.8	H135 C151 P156 C821	H135-Y154 HydrophobicContact CB-CD2 4.42Å; H135-Y154 AromaticContact CD2-CD2 3.6Å; H135-Y154 AromaticContact CE1-CD2 3.86Å; H135-Y154 AromaticContact CG-CD2 3.75Å; H135-Y154 AromaticContact ND1-CD2 3.9Å; H135-Y154 AromaticContact NE2-CD2 3.72Å; H135-Y154 PolarHBondContact O-N 3.01Å; C151-Y154 WeakPolarHBondContact O-CB 3.37Å; C151-Y154 PolarHBondContact O-N 3.32Å; Y154-P156 HydrophobicContact CE1-CB 4.38Å; Y154-C821 HydrophobicContact CD1-CB 3.9Å; Y154-C821 HydrophobicContact CD2-CB 3.47Å; Y154-C821 VanDerWaalsContact CD2-CB 3.47Å; Y154-C821 HydrophobicContact CE1-CB 4.3Å; Y154-C821 HydrophobicContact CE2-CB 3.91Å; Y154-C821 HydrophobicContact CG-CB 3.46Å; Y154-C821 VanDerWaalsContact CG-CB 3.46Å
155	Y	83.9	Confident	74.7	Confident	145 Å²	145	64.9 Å²	64.9	57%	0.569	34%	0.34	S	S	*	.			trans	-136	137.9	167.7	55	-88.7	0	0	0	107.3
156	P	74.7	Confident	72.5	Confident	50 Å²	50	66.7 Å²	66.7	33%	0.325	35%	0.347	S	S	.	.			trans	-64.1	146.2	178.6	26.3	-32.5	0	0	0	109.8	Y154 F158 D823	Y154-P156 HydrophobicContact CE1-CB 4.38Å; P156-F158 PolarHBondContact O-N 3.23Å; P156-D823 HydrophobicContact CG-CB 4.09Å
157	P	68.7	Low	69.6	Low	71 Å²	71	68.8 Å²	68.8	46%	0.461	36%	0.361	S	S	.	.			trans	-56.2	139.6	171.1	-18.8	29.8	0	0	0	110.2	H159	P157-H159 PolarHBondContact O-CD2 3.14Å; P157-H159 VanDerWaalsContact O-CD2 3.28Å; P157-H159 PolarHBondContact O-N 2.61Å; P157-H159 VanDerWaalsContact O-N 3.08Å
158	F	58.7	Low	66.6	Low	182 Å²	182	68.8 Å²	68.8	80%	0.798	36%	0.363	S	S	*	.			trans	-65.4	112.1	173.8	-178.4	-95.6	0	0	0	109.7	P156 P160	P156-F158 PolarHBondContact O-N 3.23Å; F158-P160 HydrophobicContact CE1-CG 4.27Å
159	H	54.7	Low	63.7	Low	40 Å²	40	67.8 Å²	67.8	19%	0.185	36%	0.36	C	S	.	.			trans	-104.3	120.6	172.1	-77.5	-78	0	0	0	109.2	P157 D161 H206	P157-H159 PolarHBondContact O-CD2 3.14Å; P157-H159 VanDerWaalsContact O-CD2 3.28Å; P157-H159 PolarHBondContact O-N 2.61Å; P157-H159 VanDerWaalsContact O-N 3.08Å; H159-D161 PolarHBondContact O-N 3.28Å; H159-D161 VanDerWaalsContact O-N 3.15Å; H159-H206 AromaticContact NE2-CG 3.95Å
160	P	45	Very low	60.7	Low	107 Å²	107	73 Å²	73	70%	0.695	39%	0.386	S	S	*	.	S	Bend	trans	-59.7	-22.9	-178.6	-23.6	32.5	0	0	0	114.4	F158	F158-P160 HydrophobicContact CE1-CG 4.27Å
161	D	50.9	Low	57.6	Low	99 Å²	99	73.4 Å²	73.4	53%	0.529	39%	0.389	S	S	.	.			trans	-118.5	74.7	-176	-70.2	-41.1	0	0	0	110.8	H159 N163	H159-D161 PolarHBondContact O-N 3.28Å; H159-D161 VanDerWaalsContact O-N 3.15Å; D161-N163 PolarHBondContact O-N 3.48Å
162	Q	43.5	Very low	54.5	Low	161 Å²	161	73.4 Å²	73.4	75%	0.752	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-2.6	178.2	-71.1	-169.5	-41	0	0	114.6
163	N	41.8	Very low	51.7	Low	137 Å²	137	80.5 Å²	80.5	73%	0.733	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	6.8	-171.6	-69.3	-12.6	0	0	0	114.8	D161	D161-N163 PolarHBondContact O-N 3.48Å
164	A	38.4	Very low	48.8	Very low	22 Å²	22	79.6 Å²	79.6	18%	0.182	40%	0.398	C	S	.	.			trans	-102.5	44.7	-175.7	0	0	0	0	0	114.3	Q166 L522	A164-Q166 PolarHBondContact O-N 3.47Å; A164-L522 HydrophobicContact CB-CD1 4.25Å
165	E	46.9	Very low	46.3	Very low	103 Å²	103	78.3 Å²	78.3	48%	0.481	39%	0.394	S	S	.	.			trans	-66	9	-176.4	-69.6	-167.3	157.1	0	0	116.7	V169 R836	E165-V169 HydrophobicContact CB-CG2 4Å; E165-V169 WeakPolarHBondContact O-CB 3.43Å; E165-V169 WeakPolarHBondContact O-CG2 3.29Å; E165-V169 PolarHBondContact O-N 3.06Å; E165-R836 IonicContact OE2-NH2 3.13Å
166	Q	50.3	Low	44	Very low	70 Å²	70	72 Å²	72	33%	0.327	37%	0.372	S	S	.	.	H	α-helix	trans	-69.1	-39.7	-162.4	-64.5	-158.8	3.5	0	0	116.4	A164 Q170 T516	A164-Q166 PolarHBondContact O-N 3.47Å; Q166-Q170 PolarHBondContact O-N 3.47Å; Q166-T516 PolarHBondContact NE2-OG1 3.45Å
167	P	36.5	Very low	42.4	Very low	44 Å²	44	70.4 Å²	70.4	29%	0.286	36%	0.361	S	S	.	.	H	α-helix	trans	-69.7	-43.1	-179.5	-19.4	32.4	0	0	0	113.1	V169 Q170 A171 F526	P167-V169 PolarHBondContact O-N 2.96Å; P167-Q170 PolarHBondContact O-N 3.45Å; P167-A171 PolarHBondContact O-N 3.13Å; P167-F526 HydrophobicContact CG-CZ 4.32Å
168	A	35.5	Very low	41.4	Very low	10 Å²	10	67.1 Å²	67.1	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-40.5	178.6	0	0	0	0	0	111.6	Q170 A171 H172 E205	A168-Q170 VanDerWaalsContact C-N 3.27Å; A168-Q170 PolarHBondContact O-N 3.31Å; A168-A171 PolarHBondContact O-N 2.58Å; A168-H172 WeakPolarHBondContact O-CB 3.26Å; A168-H172 PolarHBondContact O-N 3.19Å; A168-H172 PolarHBondContact O-ND1 3.46Å; A168-H172 VanDerWaalsContact O-ND1 3.13Å; A168-E205 HydrophobicContact CB-CG 3.61Å
169	V	35.9	Very low	41.2	Very low	34 Å²	34	58.9 Å²	58.9	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-34.3	177	171.6	0	0	0	0	112	E165 P167 R173	E165-V169 HydrophobicContact CB-CG2 4Å; E165-V169 WeakPolarHBondContact O-CB 3.43Å; E165-V169 WeakPolarHBondContact O-CG2 3.29Å; E165-V169 PolarHBondContact O-N 3.06Å; P167-V169 PolarHBondContact O-N 2.96Å; V169-R173 WeakPolarHBondContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CG 3.45Å; V169-R173 PolarHBondContact O-N 3.32Å; V169-R173 VanDerWaalsContact O-N 3.12Å
170	Q	34.9	Very low	40.9	Very low	132 Å²	132	58.2 Å²	58.2	62%	0.617	31%	0.308	S	S	*	.	H	α-helix	trans	-72.3	-42.5	176.2	-68.7	-169.5	16.2	0	0	112.3	Q166 P167 A168 R173 V174	Q166-Q170 PolarHBondContact O-N 3.47Å; P167-Q170 PolarHBondContact O-N 3.45Å; A168-Q170 VanDerWaalsContact C-N 3.27Å; A168-Q170 PolarHBondContact O-N 3.31Å; Q170-R173 PolarHBondContact O-N 3.23Å; Q170-V174 WeakPolarHBondContact O-CG2 3.15Å; Q170-V174 PolarHBondContact O-N 2.9Å
171	A	31	Very low	41.5	Very low	7 Å²	7	56.4 Å²	56.4	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-51.3	176.1	0	0	0	0	0	110.9	P167 A168 R173 V174 V175	P167-A171 PolarHBondContact O-N 3.13Å; A168-A171 PolarHBondContact O-N 2.58Å; A171-R173 PolarHBondContact O-N 3.4Å; A171-V174 PolarHBondContact O-N 3.5Å; A171-V174 VanDerWaalsContact O-N 3.14Å; A171-V175 WeakPolarHBondContact O-CG2 3.27Å; A171-V175 PolarHBondContact O-N 2.94Å
172	H	33.6	Very low	41.7	Very low	9 Å²	9	56.8 Å²	56.8	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-55	-47.9	176.8	-75.8	134.2	0	0	0	112.8	A168 V174 V175 A176 D200 E205 T837	A168-H172 WeakPolarHBondContact O-CB 3.26Å; A168-H172 PolarHBondContact O-N 3.19Å; A168-H172 PolarHBondContact O-ND1 3.46Å; A168-H172 VanDerWaalsContact O-ND1 3.13Å; H172-V174 VanDerWaalsContact C-N 3.27Å; H172-V174 PolarHBondContact O-N 2.86Å; H172-V175 PolarHBondContact O-N 3.43Å; H172-V175 VanDerWaalsContact O-N 3.15Å; H172-A176 PolarHBondContact O-N 3.03Å; H172-D200 IonicContact CD2-OD2 3.7Å; H172-D200 IonicContact CE1-OD2 2.79Å; H172-D200 PolarHBondContact CE1-OD2 3.1Å; H172-D200 IonicContact ND1-OD2 3.45Å; H172-D200 IonicContact NE2-OD2 2.7Å; H172-D200 PolarHBondContact NE2-OD2 2.95Å; H172-E205 IonicContact CE1-OE1 3.5Å; H172-E205 PolarHBondContact CE1-OE1 3.45Å; H172-E205 VanDerWaalsContact CE1-OE1 3.32Å; H172-E205 IonicContact ND1-OE1 3.31Å; H172-T837 PolarHBondContact CD2-OG1 3.18Å
173	R	34.3	Very low	42.7	Very low	179 Å²	179	51.9 Å²	51.9	68%	0.675	27%	0.272	S	S	*	.	H	α-helix	trans	-59.6	-35.6	179.2	-78.9	176.3	-173.8	-169.8	5.1	113.1	V169 Q170 A171 S177	V169-R173 WeakPolarHBondContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CG 3.45Å; V169-R173 PolarHBondContact O-N 3.32Å; V169-R173 VanDerWaalsContact O-N 3.12Å; Q170-R173 PolarHBondContact O-N 3.23Å; A171-R173 PolarHBondContact O-N 3.4Å; R173-S177 WeakPolarHBondContact O-CB 3.33Å; R173-S177 PolarHBondContact O-N 2.93Å; R173-S177 PolarHBondContact O-OG 2.74Å
174	V	33.5	Very low	43.9	Very low	34 Å²	34	45.7 Å²	45.7	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-69.8	-42.1	179.4	176.7	0	0	0	0	110.5	Q170 A171 H172 S177 A178 R195 L196	Q170-V174 WeakPolarHBondContact O-CG2 3.15Å; Q170-V174 PolarHBondContact O-N 2.9Å; A171-V174 PolarHBondContact O-N 3.5Å; A171-V174 VanDerWaalsContact O-N 3.14Å; H172-V174 VanDerWaalsContact C-N 3.27Å; H172-V174 PolarHBondContact O-N 2.86Å; V174-S177 PolarHBondContact O-N 3Å; V174-S177 PolarHBondContact O-OG 3.12Å; V174-A178 PolarHBondContact O-N 3.09Å; V174-A178 VanDerWaalsContact O-N 3.1Å; V174-R195 HydrophobicContact CG1-CB 3.99Å; V174-L196 WeakPolarHBondContact CG1-O 3.39Å
175	V	38.8	Very low	45.2	Very low	9 Å²	9	49 Å²	49	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-69.4	-48.1	-179.8	-175.4	0	0	0	0	111.5	A171 H172 S177 A178 F179 R198 T837	A171-V175 WeakPolarHBondContact O-CG2 3.27Å; A171-V175 PolarHBondContact O-N 2.94Å; H172-V175 PolarHBondContact O-N 3.43Å; H172-V175 VanDerWaalsContact O-N 3.15Å; V175-S177 PolarHBondContact O-N 2.92Å; V175-A178 WeakPolarHBondContact O-CB 3.44Å; V175-A178 PolarHBondContact O-N 2.94Å; V175-F179 HydrophobicContact CG1-CD2 3.55Å; V175-F179 HydrophobicContact CG1-CE2 3.34Å; V175-F179 HydrophobicContact CG1-CZ 4.45Å; V175-F179 WeakPolarHBondContact O-CD2 3.39Å; V175-F179 PolarHBondContact O-N 3.41Å; V175-F179 VanDerWaalsContact O-N 3.08Å; V175-R198 HydrophobicContact CG2-CB 4.32Å; V175-R198 WeakPolarHBondContact CG2-O 3.32Å; V175-T837 HydrophobicContact CB-CG2 4.42Å; V175-T837 HydrophobicContact CG1-CG2 3.81Å
176	A	36.9	Very low	46	Very low	13 Å²	13	46.8 Å²	46.8	11%	0.107	24%	0.243	C	C	.	.	H	α-helix	trans	-53.5	-44.4	169.7	0	0	0	0	0	111.9	H172 A178 F179 G180 R836	H172-A176 PolarHBondContact O-N 3.03Å; A176-A178 PolarHBondContact O-N 3.37Å; A176-F179 PolarHBondContact O-N 3.17Å; A176-G180 WeakPolarHBondContact O-CA 3.41Å; A176-G180 PolarHBondContact O-N 3.32Å; A176-R836 WeakPolarHBondContact CB-O 3.07Å
177	S	40.5	Very low	46.6	Very low	16 Å²	16	43.6 Å²	43.6	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-28.1	-178	82.8	0	0	0	0	111.8	R173 V174 V175 R192 R195	R173-S177 WeakPolarHBondContact O-CB 3.33Å; R173-S177 PolarHBondContact O-N 2.93Å; R173-S177 PolarHBondContact O-OG 2.74Å; V174-S177 PolarHBondContact O-N 3Å; V174-S177 PolarHBondContact O-OG 3.12Å; V175-S177 PolarHBondContact O-N 2.92Å; S177-R192 VanDerWaalsContact O-CD 3.23Å; S177-R192 WeakPolarHBondContact O-CD 3.43Å; S177-R192 PolarHBondContact O-NH1 3.47Å; S177-R195 PolarHBondContact OG-NH1 3.02Å
178	A	47.7	Very low	47.9	Very low	2 Å²	2	41.7 Å²	41.7	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-76.5	-42.7	176.9	0	0	0	0	0	112.6	V174 V175 A176 Y187 L197	V174-A178 PolarHBondContact O-N 3.09Å; V174-A178 VanDerWaalsContact O-N 3.1Å; V175-A178 WeakPolarHBondContact O-CB 3.44Å; V175-A178 PolarHBondContact O-N 2.94Å; A176-A178 PolarHBondContact O-N 3.37Å; A178-Y187 HydrophobicContact CB-CD2 4.14Å; A178-Y187 HydrophobicContact CB-CE2 3.43Å; A178-Y187 VanDerWaalsContact CB-CE2 3.43Å; A178-Y187 VanDerWaalsContact O-CD2 3.26Å; A178-Y187 WeakPolarHBondContact O-CD2 3.03Å; A178-L197 HydrophobicContact CB-CD2 3.14Å
179	F	54.9	Low	49	Very low	8 Å²	8	45.3 Å²	45.3	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-90.6	-12.9	-174	-57.2	-37.7	0	0	0	114.2	V175 A176 K181 L197 I704 Y709	V175-F179 HydrophobicContact CG1-CD2 3.55Å; V175-F179 HydrophobicContact CG1-CE2 3.34Å; V175-F179 HydrophobicContact CG1-CZ 4.45Å; V175-F179 WeakPolarHBondContact O-CD2 3.39Å; V175-F179 PolarHBondContact O-N 3.41Å; V175-F179 VanDerWaalsContact O-N 3.08Å; A176-F179 PolarHBondContact O-N 3.17Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3.49Å; F179-L197 HydrophobicContact CE1-CD1 4.31Å; F179-L197 HydrophobicContact CZ-CD1 4.31Å; F179-I704 HydrophobicContact CZ-CD1 4.3Å; F179-Y709 HydrophobicContact CD1-CD1 4.44Å; F179-Y709 HydrophobicContact CD1-CD2 4.48Å; F179-Y709 AromaticContact CD1-CE1 3.6Å; F179-Y709 HydrophobicContact CD1-CE1 3.6Å; F179-Y709 AromaticContact CD1-CE2 3.62Å; F179-Y709 HydrophobicContact CD1-CE2 3.62Å; F179-Y709 AromaticContact CD1-CZ 3.12Å; F179-Y709 WeakPolarHBondContact CD1-OH 3.47Å; F179-Y709 HydrophobicContact CE1-CD1 4.33Å; F179-Y709 AromaticContact CE1-CD2 3.96Å; F179-Y709 HydrophobicContact CE1-CD2 3.96Å; F179-Y709 AromaticContact CE1-CE1 3.89Å; F179-Y709 HydrophobicContact CE1-CE1 3.89Å; F179-Y709 AromaticContact CE1-CE2 3.45Å; F179-Y709 HydrophobicContact CE1-CE2 3.45Å; F179-Y709 VanDerWaalsContact CE1-CE2 3.45Å; F179-Y709 HydrophobicContact CE1-CG 4.38Å; F179-Y709 AromaticContact CE1-CZ 3.45Å; F179-Y709 VanDerWaalsContact CE1-CZ 3.45Å; F179-Y709 HydrophobicContact CZ-CE2 4.49Å
180	G	48.7	Very low	50.2	Low	26 Å²	26	46 Å²	46	27%	0.268	24%	0.235	S	C	.	.			trans	-76.3	3.3	-177.8	0	0	0	0	0	116.9	A176 K766	A176-G180 WeakPolarHBondContact O-CA 3.41Å; A176-G180 PolarHBondContact O-N 3.32Å; G180-K766 WeakPolarHBondContact O-CE 3.28Å
181	K	56.9	Low	51.2	Low	70 Å²	70	40.5 Å²	40.5	30%	0.304	21%	0.214	S	C	.	.			trans	-93.5	138.8	-178.9	-72.7	-65.4	-174.2	-177.7	0	112.1	F179 T183 D186 R769	F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3.49Å; K181-T183 VanDerWaalsContact C-N 3.32Å; K181-T183 PolarHBondContact O-N 3.15Å; K181-D186 HydrophobicContact CB-CB 4.33Å; K181-D186 HydrophobicContact CD-CB 4.29Å; K181-R769 PolarHBondContact O-NH1 3.1Å; K181-R769 VanDerWaalsContact O-NH1 3.11Å
182	D	55.2	Low	52.4	Low	106 Å²	106	43.7 Å²	43.7	57%	0.567	22%	0.224	S	C	*	.	S	Bend	trans	-57.3	-46	-177.4	-52.3	-27.3	0	0	0	111.1	R769	D182-R769 PolarHBondContact O-NH2 2.79Å
183	T	64.4	Low	53.4	Low	59 Å²	59	43.5 Å²	43.5	36%	0.362	22%	0.224	S	C	.	.	S	Bend	trans	-117.2	148.4	172.9	78.2	0	0	0	0	112.5	K181 Q185 D186 Y187	K181-T183 VanDerWaalsContact C-N 3.32Å; K181-T183 PolarHBondContact O-N 3.15Å; T183-Q185 PolarHBondContact O-N 3.36Å; T183-D186 WeakPolarHBondContact O-CB 3.42Å; T183-D186 PolarHBondContact O-N 2.86Å; T183-D186 PolarHBondContact OG1-N 3.2Å; T183-D186 VanDerWaalsContact OG1-N 3.1Å; T183-D186 PolarHBondContact OG1-OD2 3.13Å; T183-Y187 PolarHBondContact O-N 2.81Å
184	I	66.9	Low	54.5	Low	7 Å²	7	42 Å²	42	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-31	173.7	-64.4	177.8	0	0	0	110.6	D186 Y187 F188 E708 Y709 F712	I184-D186 PolarHBondContact O-N 3.04Å; I184-Y187 WeakPolarHBondContact O-CA 3.42Å; I184-Y187 VanDerWaalsContact O-CB 3.31Å; I184-Y187 WeakPolarHBondContact O-CB 3.33Å; I184-Y187 PolarHBondContact O-N 3.37Å; I184-Y187 VanDerWaalsContact O-N 3.08Å; I184-F188 HydrophobicContact CG2-CD2 3.76Å; I184-F188 HydrophobicContact CG2-CE2 3.64Å; I184-F188 WeakPolarHBondContact O-CD2 3.46Å; I184-F188 PolarHBondContact O-N 2.84Å; I184-E708 VanDerWaalsContact CD1-C 3.44Å; I184-E708 HydrophobicContact CD1-CB 3.74Å; I184-E708 VanDerWaalsContact CD1-CD 3.47Å; I184-E708 HydrophobicContact CD1-CG 3.35Å; I184-E708 VanDerWaalsContact CD1-O 3.23Å; I184-E708 WeakPolarHBondContact CD1-O 2.8Å; I184-E708 WeakPolarHBondContact CD1-OE1 3.5Å; I184-Y709 HydrophobicContact CD1-CD1 4.09Å; I184-Y709 HydrophobicContact CD1-CE1 4.26Å; I184-Y709 HydrophobicContact CD1-CG 4.43Å; I184-Y709 HydrophobicContact CG1-CD1 4.19Å; I184-Y709 HydrophobicContact CG1-CE1 4.1Å; I184-Y709 HydrophobicContact CG2-CD1 4.43Å; I184-F712 HydrophobicContact CB-CD2 4.22Å; I184-F712 HydrophobicContact CB-CE2 4.02Å; I184-F712 HydrophobicContact CG2-CD2 3.53Å; I184-F712 HydrophobicContact CG2-CE2 3.85Å
185	Q	65.5	Low	56	Low	90 Å²	90	46 Å²	46	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-39.5	170.9	-68	-173	3.6	0	0	111.6	T183 Y187 F188 K189 F712	T183-Q185 PolarHBondContact O-N 3.36Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-F188 PolarHBondContact O-N 2.9Å; Q185-K189 WeakPolarHBondContact O-CB 3.11Å; Q185-K189 WeakPolarHBondContact O-CG 3.34Å; Q185-K189 PolarHBondContact O-N 2.83Å; Q185-F712 HydrophobicContact CG-CE1 3.83Å; Q185-F712 HydrophobicContact CG-CE2 4.45Å; Q185-F712 HydrophobicContact CG-CZ 3.73Å
186	D	63.8	Low	57.5	Low	58 Å²	58	46 Å²	46	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-69.2	-32.8	176.4	-62.4	-39.4	0	0	0	112.5	K181 T183 I184 S190	K181-D186 HydrophobicContact CB-CB 4.33Å; K181-D186 HydrophobicContact CD-CB 4.29Å; T183-D186 WeakPolarHBondContact O-CB 3.42Å; T183-D186 PolarHBondContact O-N 2.86Å; T183-D186 PolarHBondContact OG1-N 3.2Å; T183-D186 VanDerWaalsContact OG1-N 3.1Å; T183-D186 PolarHBondContact OG1-OD2 3.13Å; I184-D186 PolarHBondContact O-N 3.04Å; D186-S190 WeakPolarHBondContact O-CB 3.38Å; D186-S190 PolarHBondContact O-N 3.28Å; D186-S190 PolarHBondContact O-OG 3.4Å
187	Y	63.2	Low	59.4	Low	2 Å²	2	45.3 Å²	45.3	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-53.5	170.4	170.9	-109.1	0	0	0	111.3	A178 T183 I184 Q185 K189 S190 R192 S193 L664	A178-Y187 HydrophobicContact CB-CD2 4.14Å; A178-Y187 HydrophobicContact CB-CE2 3.43Å; A178-Y187 VanDerWaalsContact CB-CE2 3.43Å; A178-Y187 VanDerWaalsContact O-CD2 3.26Å; A178-Y187 WeakPolarHBondContact O-CD2 3.03Å; T183-Y187 PolarHBondContact O-N 2.81Å; I184-Y187 WeakPolarHBondContact O-CA 3.42Å; I184-Y187 VanDerWaalsContact O-CB 3.31Å; I184-Y187 WeakPolarHBondContact O-CB 3.33Å; I184-Y187 PolarHBondContact O-N 3.37Å; I184-Y187 VanDerWaalsContact O-N 3.08Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Y187-K189 PolarHBondContact O-N 3.18Å; Y187-S190 PolarHBondContact O-N 3.22Å; Y187-S190 PolarHBondContact O-OG 3.09Å; Y187-R192 HydrophobicContact CD2-CB 3.77Å; Y187-R192 HydrophobicContact CE2-CB 3.52Å; Y187-R192 PolarHBondContact OH-O 3.24Å; Y187-S193 WeakPolarHBondContact OH-CA 3.42Å; Y187-L664 HydrophobicContact CE1-CD2 3.87Å
188	F	63.1	Low	61.1	Low	4 Å²	4	46.2 Å²	46.2	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-41.4	176.9	-78.8	-91.5	0	0	0	112.4	I184 Q185 S190 G191 L664 L665 F712 I719	I184-F188 HydrophobicContact CG2-CD2 3.76Å; I184-F188 HydrophobicContact CG2-CE2 3.64Å; I184-F188 WeakPolarHBondContact O-CD2 3.46Å; I184-F188 PolarHBondContact O-N 2.84Å; Q185-F188 PolarHBondContact O-N 2.9Å; F188-S190 PolarHBondContact O-N 3.03Å; F188-G191 PolarHBondContact O-N 3.08Å; F188-L664 HydrophobicContact CE1-CD2 4.26Å; F188-L664 HydrophobicContact CE2-CD2 4.01Å; F188-L664 HydrophobicContact CZ-CD2 3.48Å; F188-L664 VanDerWaalsContact CZ-CD2 3.48Å; F188-L664 HydrophobicContact CZ-CG 4.28Å; F188-L665 HydrophobicContact CD1-CD2 4.07Å; F188-L665 HydrophobicContact CE1-CD2 3.78Å; F188-F712 HydrophobicContact CD2-CB 4Å; F188-F712 HydrophobicContact CD2-CG 4.49Å; F188-F712 HydrophobicContact CE1-CB 4.46Å; F188-F712 HydrophobicContact CE2-CB 3.64Å; F188-F712 HydrophobicContact CE2-CD2 4.38Å; F188-F712 HydrophobicContact CE2-CG 4.37Å; F188-F712 HydrophobicContact CZ-CB 3.88Å; F188-I719 HydrophobicContact CB-CD1 3.46Å; F188-I719 VanDerWaalsContact CB-CD1 3.46Å; F188-I719 HydrophobicContact CB-CG1 3.94Å; F188-I719 HydrophobicContact CB-CG2 4.32Å; F188-I719 HydrophobicContact CG-CG2 4.49Å
189	K	59.9	Low	62.5	Low	86 Å²	86	46.7 Å²	46.7	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-64.1	-26.8	176.7	-74.9	169.9	-172.8	168.9	0	112.1	Q185 Y187 G191 K414 I719	Q185-K189 WeakPolarHBondContact O-CB 3.11Å; Q185-K189 WeakPolarHBondContact O-CG 3.34Å; Q185-K189 PolarHBondContact O-N 2.83Å; Y187-K189 PolarHBondContact O-N 3.18Å; K189-G191 PolarHBondContact O-N 2.93Å; K189-K414 WeakPolarHBondContact O-CE 3.32Å; K189-K414 PolarHBondContact O-NZ 2.95Å; K189-I719 HydrophobicContact CG-CD1 3.88Å
190	S	60.4	Low	63.4	Low	48 Å²	48	47.1 Å²	47.1	34%	0.336	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.6	179.9	72.1	0	0	0	0	114	D186 Y187 F188 R192	D186-S190 WeakPolarHBondContact O-CB 3.38Å; D186-S190 PolarHBondContact O-N 3.28Å; D186-S190 PolarHBondContact O-OG 3.4Å; Y187-S190 PolarHBondContact O-N 3.22Å; Y187-S190 PolarHBondContact O-OG 3.09Å; F188-S190 PolarHBondContact O-N 3.03Å; S190-R192 PolarHBondContact O-N 3.32Å; S190-R192 VanDerWaalsContact OG-CB 3.32Å; S190-R192 WeakPolarHBondContact OG-CB 3.38Å; S190-R192 WeakPolarHBondContact OG-CD 3.34Å; S190-R192 WeakPolarHBondContact OG-CG 3.48Å; S190-R192 PolarHBondContact OG-N 3.01Å
191	G	55.6	Low	65.2	Low	17 Å²	17	46 Å²	46	18%	0.175	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-3.1	-172.3	0	0	0	0	0	114.2	F188 K189 S193 R194 W415	F188-G191 PolarHBondContact O-N 3.08Å; K189-G191 PolarHBondContact O-N 2.93Å; G191-S193 PolarHBondContact O-N 3.4Å; G191-R194 PolarHBondContact O-N 3.49Å; G191-W415 VanDerWaalsContact CA-CH2 3.41Å
192	R	56.3	Low	66.6	Low	74 Å²	74	43.2 Å²	43.2	28%	0.279	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-65.8	-19.7	176.3	-68.1	179	-172.3	178.6	-2.8	113.1	S177 Y187 S190 R194 R195	S177-R192 VanDerWaalsContact O-CD 3.23Å; S177-R192 WeakPolarHBondContact O-CD 3.43Å; S177-R192 PolarHBondContact O-NH1 3.47Å; Y187-R192 HydrophobicContact CD2-CB 3.77Å; Y187-R192 HydrophobicContact CE2-CB 3.52Å; Y187-R192 PolarHBondContact OH-O 3.24Å; S190-R192 PolarHBondContact O-N 3.32Å; S190-R192 VanDerWaalsContact OG-CB 3.32Å; S190-R192 WeakPolarHBondContact OG-CB 3.38Å; S190-R192 WeakPolarHBondContact OG-CD 3.34Å; S190-R192 WeakPolarHBondContact OG-CG 3.48Å; S190-R192 PolarHBondContact OG-N 3.01Å; R192-R194 PolarHBondContact O-N 3.19Å; R192-R195 WeakPolarHBondContact O-CA 3.48Å; R192-R195 VanDerWaalsContact O-CB 3.23Å; R192-R195 WeakPolarHBondContact O-CB 3.4Å; R192-R195 PolarHBondContact O-N 3.18Å
193	S	54.5	Low	68	Low	5 Å²	5	39.6 Å²	39.6	4%	0.035	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60	-15.1	173.1	56.7	0	0	0	0	114.8	Y187 G191 L665	Y187-S193 WeakPolarHBondContact OH-CA 3.42Å; G191-S193 PolarHBondContact O-N 3.4Å; S193-L665 WeakPolarHBondContact O-CD1 3.21Å; S193-L665 VanDerWaalsContact O-CG 3.32Å; S193-L665 WeakPolarHBondContact O-CG 3.43Å
194	R	58.4	Low	68.8	Low	147 Å²	147	36.8 Å²	36.8	56%	0.555	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-84.1	-10.8	170.7	-63.2	-180	-176.8	-173.2	3.2	113.6	G191 R192 H663 L665	G191-R194 PolarHBondContact O-N 3.49Å; R192-R194 PolarHBondContact O-N 3.19Å; R194-H663 PolarHBondContact O-NE2 3.39Å; R194-L665 HydrophobicContact CB-CD1 4.29Å; R194-L665 HydrophobicContact CG-CD1 3.46Å; R194-L665 VanDerWaalsContact CG-CD1 3.46Å
195	R	64.9	Low	69.2	Low	120 Å²	120	38.7 Å²	38.7	45%	0.453	18%	0.177	S	C	.	.	S	Bend	trans	-79	140.9	177	-63.9	-178	173.8	-170.1	-10.3	108.6	V174 S177 R192 L197	V174-R195 HydrophobicContact CG1-CB 3.99Å; S177-R195 PolarHBondContact OG-NH1 3.02Å; R192-R195 WeakPolarHBondContact O-CA 3.48Å; R192-R195 VanDerWaalsContact O-CB 3.23Å; R192-R195 WeakPolarHBondContact O-CB 3.4Å; R192-R195 PolarHBondContact O-N 3.18Å; R195-L197 PolarHBondContact O-N 3.19Å
196	L	70.3	Confident	69.6	Low	7 Å²	7	37.7 Å²	37.7	4%	0.037	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-68.1	122.3	170.9	-172.6	74.7	0	0	0	109.2	V174 D652 V653 A661 H663 F670	V174-L196 WeakPolarHBondContact CG1-O 3.39Å; L196-D652 WeakPolarHBondContact CD2-O 3.29Å; L196-V653 HydrophobicContact CD1-CG2 3.9Å; L196-V653 HydrophobicContact CD2-CB 4.47Å; L196-V653 HydrophobicContact CD2-CG2 3.43Å; L196-V653 VanDerWaalsContact CD2-CG2 3.43Å; L196-V653 HydrophobicContact CG-CG2 4.31Å; L196-A661 HydrophobicContact CD1-CB 3.67Å; L196-A661 HydrophobicContact CD2-CB 3.65Å; L196-A661 HydrophobicContact CG-CB 3.63Å; L196-H663 HydrophobicContact CD1-CB 4.22Å; L196-F670 HydrophobicContact CD1-CD2 3.92Å; L196-F670 HydrophobicContact CD1-CE2 4.11Å
197	L	76.2	Confident	70.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.7	170.8	-56.5	-179.3	0	0	0	108	A178 F179 R195 F199 A661 L662	A178-L197 HydrophobicContact CB-CD2 3.14Å; F179-L197 HydrophobicContact CE1-CD1 4.31Å; F179-L197 HydrophobicContact CZ-CD1 4.31Å; R195-L197 PolarHBondContact O-N 3.19Å; L197-F199 HydrophobicContact CB-CZ 4.24Å; L197-A661 CarbonylContact O-C 3.57Å; L197-A661 WeakPolarHBondContact O-CA 3.44Å; L197-L662 HydrophobicContact CB-CB 4.3Å; L197-L662 HydrophobicContact CD1-CD2 4.25Å; L197-L662 PolarHBondContact N-O 3.24Å; L197-L662 PolarHBondContact O-N 3.39Å
198	R	76.5	Confident	71.2	Confident	34 Å²	34	36.2 Å²	36.2	13%	0.128	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.9	173.1	-72.4	179.2	170.2	81	-0.6	109.1	V175 D652 D657 H659 V660 A661	V175-R198 HydrophobicContact CG2-CB 4.32Å; V175-R198 WeakPolarHBondContact CG2-O 3.32Å; R198-D652 PolarHBondContact NH2-O 3.13Å; R198-D657 IonicContact CZ-OD2 3.3Å; R198-D657 IonicContact NE-OD2 3.87Å; R198-D657 PolarHBondContact NE-OD2 2.98Å; R198-D657 IonicContact NH2-OD2 3.75Å; R198-D657 PolarHBondContact NH2-OD2 3.45Å; R198-H659 HydrophobicContact CB-CB 3.97Å; R198-H659 HydrophobicContact CG-CB 4.24Å; R198-V660 CarbonylContact C-O 3.52Å; R198-A661 HydrophobicContact CG-CB 4.23Å
199	F	76.8	Confident	71.8	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.3	176.5	-58.8	-66.7	0	0	0	108.3	L197 H659 V660 L662 L697 A701 I704	L197-F199 HydrophobicContact CB-CZ 4.24Å; F199-H659 PolarHBondContact O-CD2 2.98Å; F199-V660 HydrophobicContact CD2-CB 4.1Å; F199-V660 HydrophobicContact CD2-CG1 3.97Å; F199-V660 VanDerWaalsContact CD2-O 3.27Å; F199-V660 WeakPolarHBondContact CD2-O 3.42Å; F199-V660 PolarHBondContact N-O 3.37Å; F199-L662 HydrophobicContact CE2-CB 3.59Å; F199-L662 HydrophobicContact CZ-CB 3.82Å; F199-L662 HydrophobicContact CZ-CD2 4.05Å; F199-L697 HydrophobicContact CB-CD2 4.41Å; F199-A701 HydrophobicContact CD2-CB 3.7Å; F199-A701 HydrophobicContact CE2-CB 3.31Å; F199-A701 HydrophobicContact CZ-CB 4.11Å; F199-I704 HydrophobicContact CD1-CD1 4.06Å; F199-I704 HydrophobicContact CE1-CD1 3.15Å; F199-I704 HydrophobicContact CZ-CD1 3.6Å
200	D	74.6	Confident	72.8	Confident	18 Å²	18	36.9 Å²	36.9	10%	0.096	17%	0.172	C	C	.	.			trans	-109.5	147.9	-179.8	-159.2	-2.3	0	0	0	110.2	H172 H659	H172-D200 IonicContact CD2-OD2 3.7Å; H172-D200 IonicContact CE1-OD2 2.79Å; H172-D200 PolarHBondContact CE1-OD2 3.1Å; H172-D200 IonicContact ND1-OD2 3.45Å; H172-D200 IonicContact NE2-OD2 2.7Å; H172-D200 PolarHBondContact NE2-OD2 2.95Å; D200-H659 IonicContact OD1-CD2 2.63Å; D200-H659 IonicContact OD1-NE2 3.81Å; D200-H659 PolarHBondContact OD1-NE2 2.69Å; D200-H659 IonicContact OD2-NE2 3.56Å
201	R	86.2	Confident	74	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	16%	0.156	C	C	.	.			trans	-139.4	142.1	167.9	-64.8	-171.5	178.3	162.9	0.8	107.8	M203 I204 S696 L697 E774 Y816 T819 F820	R201-M203 PolarHBondContact O-N 3.15Å; R201-I204 HydrophobicContact CB-CG1 4.41Å; R201-I204 WeakPolarHBondContact O-CG1 3Å; R201-I204 PolarHBondContact O-N 3.29Å; R201-S696 PolarHBondContact NH1-OG 2.79Å; R201-S696 PolarHBondContact NH2-OG 3.37Å; R201-L697 HydrophobicContact CG-CD2 3.9Å; R201-E774 IonicContact CZ-OE2 3.83Å; R201-E774 IonicContact NE-OE2 2.69Å; R201-E774 IonicContact NH2-OE2 2.85Å; R201-E774 PolarHBondContact NH2-OE2 3.31Å; R201-Y816 VanDerWaalsContact NH2-CE2 3.32Å; R201-T819 VanDerWaalsContact CB-O 3.26Å; R201-T819 WeakPolarHBondContact CB-O 3.46Å; R201-T819 WeakPolarHBondContact CD-OG1 3.3Å; R201-T819 PolarHBondContact NH1-OG1 3.28Å; R201-F820 HydrophobicContact CG-CD1 4.31Å; R201-F820 HydrophobicContact CG-CE1 3.9Å; R201-F820 HydrophobicContact CG-CZ 4.1Å
202	P	85.7	Confident	75.4	Confident	13 Å²	13	34.3 Å²	34.3	8%	0.084	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-49.2	-36.2	-173	-30.9	34.4	0	0	0	115.3	I204 E205 C821 H822 Y842	P202-I204 PolarHBondContact O-N 2.04Å; P202-I204 VanDerWaalsContact O-N 3.12Å; P202-E205 PolarHBondContact O-N 3.12Å; P202-C821 WeakPolarHBondContact CB-O 3.34Å; P202-H822 HydrophobicContact CB-CB 3.69Å; P202-H822 HydrophobicContact CG-CB 4Å; P202-Y842 HydrophobicContact CG-CD2 3.65Å; P202-Y842 HydrophobicContact CG-CE1 4.16Å; P202-Y842 HydrophobicContact CG-CE2 3.21Å; P202-Y842 HydrophobicContact CG-CG 4.27Å
203	M	85.1	Confident	76.7	Confident	29 Å²	29	33.9 Å²	33.9	14%	0.143	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.4	-179	-159.7	-171.9	-164.7	0	0	114.1	R201 P679 T819	R201-M203 PolarHBondContact O-N 3.15Å; M203-P679 HydrophobicContact CE-CB 3.44Å; M203-P679 VanDerWaalsContact CE-CB 3.44Å; M203-P679 HydrophobicContact CE-CG 3.65Å; M203-P679 HydrophobicContact CG-CG 3.7Å; M203-P679 HydrophobicContact SD-CB 3.83Å; M203-P679 HydrophobicContact SD-CG 3.59Å; M203-P679 VanDerWaalsContact SD-CG 3.59Å; M203-T819 WeakPolarHBondContact CB-O 3.5Å; M203-T819 PolarHBondContact N-O 3Å
204	I	82	Confident	78.3	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-113	1.4	-178.7	59	170.1	0	0	0	115.3	R201 P202 H206 L207 S658 M675 I680	R201-I204 HydrophobicContact CB-CG1 4.41Å; R201-I204 WeakPolarHBondContact O-CG1 3Å; R201-I204 PolarHBondContact O-N 3.29Å; P202-I204 PolarHBondContact O-N 2.04Å; P202-I204 VanDerWaalsContact O-N 3.12Å; I204-H206 PolarHBondContact O-N 3.33Å; I204-L207 HydrophobicContact CB-CD1 3.77Å; I204-L207 HydrophobicContact CB-CG 4.16Å; I204-L207 HydrophobicContact CG2-CD1 3.47Å; I204-L207 VanDerWaalsContact CG2-CD1 3.47Å; I204-L207 HydrophobicContact CG2-CG 4.24Å; I204-L207 WeakPolarHBondContact O-CB 3.49Å; I204-L207 PolarHBondContact O-N 2.96Å; I204-S658 PolarHBondContact O-OG 2.94Å; I204-M675 HydrophobicContact CD1-CE 3.82Å; I204-I680 HydrophobicContact CG2-CD1 3.68Å; I204-I680 HydrophobicContact CG2-CG1 3.16Å
205	E	73.7	Confident	79.8	Confident	47 Å²	47	28 Å²	28	22%	0.22	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.8	-174.1	-172.3	168.5	-170.1	0	0	112	A168 H172 P202	A168-E205 HydrophobicContact CB-CG 3.61Å; H172-E205 IonicContact CE1-OE1 3.5Å; H172-E205 PolarHBondContact CE1-OE1 3.45Å; H172-E205 VanDerWaalsContact CE1-OE1 3.32Å; H172-E205 IonicContact ND1-OE1 3.31Å; P202-E205 PolarHBondContact O-N 3.12Å
206	H	73.9	Confident	81	Confident	69 Å²	69	22.4 Å²	22.4	32%	0.319	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9	179.8	-54.3	-64.3	0	0	0	114.7	H159 I204 T208 E209 I210	H159-H206 AromaticContact NE2-CG 3.95Å; I204-H206 PolarHBondContact O-N 3.33Å; H206-T208 VanDerWaalsContact C-N 3.35Å; H206-T208 PolarHBondContact O-N 3.19Å; H206-E209 WeakPolarHBondContact O-CB 3.29Å; H206-E209 PolarHBondContact O-N 3.37Å; H206-E209 VanDerWaalsContact O-N 3.16Å; H206-I210 WeakPolarHBondContact O-CG1 3.42Å; H206-I210 PolarHBondContact O-N 3.44Å
207	L	81.5	Confident	82	Confident	12 Å²	12	26.5 Å²	26.5	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-37.7	-173.1	-76.7	-174	0	0	0	112.7	I204 E209 I210 N211	I204-L207 HydrophobicContact CB-CD1 3.77Å; I204-L207 HydrophobicContact CB-CG 4.16Å; I204-L207 HydrophobicContact CG2-CD1 3.47Å; I204-L207 VanDerWaalsContact CG2-CD1 3.47Å; I204-L207 HydrophobicContact CG2-CG 4.24Å; I204-L207 WeakPolarHBondContact O-CB 3.49Å; I204-L207 PolarHBondContact O-N 2.96Å; L207-E209 VanDerWaalsContact C-N 3.29Å; L207-E209 PolarHBondContact O-N 2.91Å; L207-I210 HydrophobicContact CD2-CD1 4.27Å; L207-I210 PolarHBondContact O-N 3.24Å; L207-N211 VanDerWaalsContact O-CG 3.22Å; L207-N211 PolarHBondContact O-N 3.4Å; L207-N211 PolarHBondContact O-ND2 3.43Å
208	T	79.5	Confident	82.9	Confident	17 Å²	17	26.9 Å²	26.9	10%	0.104	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-40.8	176.2	-68	0	0	0	0	110.7	H206 N211 V212 S658	H206-T208 VanDerWaalsContact C-N 3.35Å; H206-T208 PolarHBondContact O-N 3.19Å; T208-N211 WeakPolarHBondContact O-CB 3.1Å; T208-N211 PolarHBondContact O-N 3.42Å; T208-V212 WeakPolarHBondContact O-CG2 3.34Å; T208-V212 PolarHBondContact O-N 3.16Å; T208-S658 PolarHBondContact N-OG 3.09Å; T208-S658 VanDerWaalsContact N-OG 3.16Å; T208-S658 WeakPolarHBondContact OG1-CB 3.39Å; T208-S658 PolarHBondContact OG1-N 3.02Å; T208-S658 PolarHBondContact OG1-OG 3.43Å
209	E	75	Confident	83.7	Confident	31 Å²	31	25.3 Å²	25.3	15%	0.145	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-44.6	177	-169.3	-170.1	154.7	0	0	111.4	H206 L207 N211 V212 H213	H206-E209 WeakPolarHBondContact O-CB 3.29Å; H206-E209 PolarHBondContact O-N 3.37Å; H206-E209 VanDerWaalsContact O-N 3.16Å; L207-E209 VanDerWaalsContact C-N 3.29Å; L207-E209 PolarHBondContact O-N 2.91Å; E209-N211 VanDerWaalsContact C-N 3.29Å; E209-N211 PolarHBondContact O-N 3.49Å; E209-V212 WeakPolarHBondContact O-CB 3.34Å; E209-V212 PolarHBondContact O-N 3.49Å; E209-V212 VanDerWaalsContact O-N 3.15Å; E209-H213 PolarHBondContact O-CD2 3.43Å; E209-H213 PolarHBondContact O-N 3.08Å; E209-H213 IonicContact OE1-NE2 2.72Å
210	I	81.6	Confident	84.6	Confident	74 Å²	74	28.8 Å²	28.8	38%	0.379	15%	0.145	S	C	.	.	H	α-helix	trans	-57.9	-43.8	174.6	-66.4	168.5	0	0	0	110.8	H206 L207 V212 H213 A214	H206-I210 WeakPolarHBondContact O-CG1 3.42Å; H206-I210 PolarHBondContact O-N 3.44Å; L207-I210 HydrophobicContact CD2-CD1 4.27Å; L207-I210 PolarHBondContact O-N 3.24Å; I210-V212 PolarHBondContact O-N 2.7Å; I210-H213 PolarHBondContact O-N 3.28Å; I210-A214 PolarHBondContact O-N 2.91Å
211	N	85.7	Confident	85.5	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.011	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-41.6	177.3	-67.7	-21.2	0	0	0	112	L207 T208 E209 A214 I215 Y540 Y656 G674 Q677	L207-N211 VanDerWaalsContact O-CG 3.22Å; L207-N211 PolarHBondContact O-N 3.4Å; L207-N211 PolarHBondContact O-ND2 3.43Å; T208-N211 WeakPolarHBondContact O-CB 3.1Å; T208-N211 PolarHBondContact O-N 3.42Å; E209-N211 VanDerWaalsContact C-N 3.29Å; E209-N211 PolarHBondContact O-N 3.49Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 3.47Å; N211-I215 WeakPolarHBondContact O-CG1 3.25Å; N211-I215 PolarHBondContact O-N 3.01Å; N211-Y540 HydrophobicContact CB-CE2 3.92Å; N211-Y656 PolarHBondContact ND2-O 3.43Å; N211-G674 VanDerWaalsContact ND2-CA 3.34Å; N211-G674 WeakPolarHBondContact ND2-CA 3.46Å; N211-G674 PolarHBondContact ND2-O 3.04Å; N211-Q677 PolarHBondContact ND2-NE2 3.34Å; N211-Q677 PolarHBondContact OD1-NE2 3.06Å
212	V	84.6	Confident	86	Confident	8 Å²	8	32.4 Å²	32.4	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-47.8	175.3	166.9	0	0	0	0	110.7	T208 E209 I210 A214 I215 I216 L522 F525 Y656	T208-V212 WeakPolarHBondContact O-CG2 3.34Å; T208-V212 PolarHBondContact O-N 3.16Å; E209-V212 WeakPolarHBondContact O-CB 3.34Å; E209-V212 PolarHBondContact O-N 3.49Å; E209-V212 VanDerWaalsContact O-N 3.15Å; I210-V212 PolarHBondContact O-N 2.7Å; V212-A214 VanDerWaalsContact C-N 3.33Å; V212-A214 PolarHBondContact O-N 3.43Å; V212-I215 PolarHBondContact O-N 3.32Å; V212-I215 VanDerWaalsContact O-N 3.13Å; V212-I216 HydrophobicContact CG1-CD1 3.93Å; V212-I216 HydrophobicContact CG1-CG1 4.49Å; V212-I216 WeakPolarHBondContact O-CG1 3.34Å; V212-I216 PolarHBondContact O-N 3.05Å; V212-L522 HydrophobicContact CG1-CD2 4.1Å; V212-F525 HydrophobicContact CB-CE1 4.11Å; V212-F525 HydrophobicContact CB-CZ 4.15Å; V212-F525 HydrophobicContact CG1-CD1 3.53Å; V212-F525 HydrophobicContact CG1-CD2 4.09Å; V212-F525 HydrophobicContact CG1-CE1 3.53Å; V212-F525 HydrophobicContact CG1-CE2 4.05Å; V212-F525 HydrophobicContact CG1-CG 3.83Å; V212-F525 HydrophobicContact CG1-CZ 3.79Å; V212-F525 HydrophobicContact CG2-CD1 4.37Å; V212-F525 HydrophobicContact CG2-CE1 3.58Å; V212-F525 HydrophobicContact CG2-CZ 3.8Å; V212-Y656 HydrophobicContact CG2-CD2 4.43Å; V212-Y656 HydrophobicContact CG2-CE2 4.13Å
213	H	84	Confident	86.4	Confident	66 Å²	66	33.6 Å²	33.6	31%	0.306	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-38.1	176.2	-77.1	-68.4	0	0	0	112.9	E209 I210 I215 I216 N217	E209-H213 PolarHBondContact O-CD2 3.43Å; E209-H213 PolarHBondContact O-N 3.08Å; E209-H213 IonicContact OE1-NE2 2.72Å; I210-H213 PolarHBondContact O-N 3.28Å; H213-I215 VanDerWaalsContact C-N 3.3Å; H213-I215 PolarHBondContact O-N 3.08Å; H213-I216 PolarHBondContact O-N 3.46Å; H213-N217 WeakPolarHBondContact O-CB 3.4Å; H213-N217 PolarHBondContact O-N 3.08Å; H213-N217 PolarHBondContact O-ND2 2.87Å
214	A	87.5	Confident	86.9	Confident	28 Å²	28	38.8 Å²	38.8	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-37.1	174.8	0	0	0	0	0	112.3	I210 N211 V212 S218	I210-A214 PolarHBondContact O-N 2.91Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 3.47Å; V212-A214 VanDerWaalsContact C-N 3.33Å; V212-A214 PolarHBondContact O-N 3.43Å; A214-S218 WeakPolarHBondContact O-CB 3.24Å; A214-S218 PolarHBondContact O-N 3.45Å; A214-S218 PolarHBondContact O-OG 2.92Å
215	I	90.5	Very high	87.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-69.9	-45.9	174.5	-63.4	164.2	0	0	0	110.5	N211 V212 H213 N217 S218 L219 F525 L536 Y540 Y656	N211-I215 WeakPolarHBondContact O-CG1 3.25Å; N211-I215 PolarHBondContact O-N 3.01Å; V212-I215 PolarHBondContact O-N 3.32Å; V212-I215 VanDerWaalsContact O-N 3.13Å; H213-I215 VanDerWaalsContact C-N 3.3Å; H213-I215 PolarHBondContact O-N 3.08Å; I215-N217 VanDerWaalsContact C-N 3.31Å; I215-N217 PolarHBondContact O-N 2.01Å; I215-S218 CarbonylContact O-C 3.55Å; I215-S218 WeakPolarHBondContact O-CA 3.47Å; I215-S218 WeakPolarHBondContact O-CB 3.28Å; I215-S218 PolarHBondContact O-N 2.95Å; I215-L219 HydrophobicContact CG2-CD1 4.23Å; I215-L219 HydrophobicContact CG2-CG 4.35Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 3.24Å; I215-F525 HydrophobicContact CB-CE2 3.99Å; I215-F525 HydrophobicContact CD1-CE2 4.5Å; I215-F525 HydrophobicContact CD1-CZ 4.37Å; I215-F525 HydrophobicContact CG2-CE2 3.76Å; I215-L536 HydrophobicContact CG2-CB 4.33Å; I215-L536 HydrophobicContact CG2-CD2 3.92Å; I215-Y540 HydrophobicContact CD1-CD2 4.06Å; I215-Y540 HydrophobicContact CD1-CG 4.4Å; I215-Y540 HydrophobicContact CG1-CD2 4Å; I215-Y656 HydrophobicContact CD1-CD1 3.55Å; I215-Y656 HydrophobicContact CD1-CD2 3.99Å; I215-Y656 HydrophobicContact CD1-CE1 4.04Å; I215-Y656 HydrophobicContact CD1-CE2 4.42Å; I215-Y656 HydrophobicContact CD1-CG 3.52Å
216	I	89.4	Confident	88.3	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-47.7	176.2	-71.9	170.6	0	0	0	110.9	V212 H213 S218 L219 R220 Y241 L522 F525	V212-I216 HydrophobicContact CG1-CD1 3.93Å; V212-I216 HydrophobicContact CG1-CG1 4.49Å; V212-I216 WeakPolarHBondContact O-CG1 3.34Å; V212-I216 PolarHBondContact O-N 3.05Å; H213-I216 PolarHBondContact O-N 3.46Å; I216-S218 VanDerWaalsContact C-N 3.27Å; I216-S218 PolarHBondContact O-N 3.15Å; I216-L219 WeakPolarHBondContact O-CB 3.1Å; I216-L219 PolarHBondContact O-N 3.32Å; I216-R220 PolarHBondContact O-N 2.7Å; I216-Y241 HydrophobicContact CG1-CE2 4.32Å; I216-Y241 HydrophobicContact CG2-CE1 4.13Å; I216-Y241 VanDerWaalsContact CG2-OH 3.24Å; I216-Y241 WeakPolarHBondContact CG2-OH 3.19Å; I216-L522 HydrophobicContact CD1-CD2 4.21Å; I216-F525 HydrophobicContact CD1-CB 3.94Å; I216-F525 HydrophobicContact CD1-CD2 4.11Å; I216-F525 HydrophobicContact CD1-CG 4.15Å; I216-F525 HydrophobicContact CG1-CB 4.14Å; I216-F525 HydrophobicContact CG1-CD2 3.57Å; I216-F525 HydrophobicContact CG1-CE2 4.33Å; I216-F525 HydrophobicContact CG1-CG 4.1Å
217	N	91.7	Very high	88.7	Confident	93 Å²	93	47 Å²	47	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-36.1	176.3	-73.3	-24.4	0	0	0	112	H213 I215 N221	H213-N217 WeakPolarHBondContact O-CB 3.4Å; H213-N217 PolarHBondContact O-N 3.08Å; H213-N217 PolarHBondContact O-ND2 2.87Å; I215-N217 VanDerWaalsContact C-N 3.31Å; I215-N217 PolarHBondContact O-N 2.01Å; N217-N221 WeakPolarHBondContact O-CB 3.09Å; N217-N221 PolarHBondContact O-N 3.46Å
218	S	94.4	Very high	88.9	Confident	8 Å²	8	50.1 Å²	50.1	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-39.7	175.3	-61	0	0	0	0	112.3	A214 I215 I216 N221 I222 I539 K543	A214-S218 WeakPolarHBondContact O-CB 3.24Å; A214-S218 PolarHBondContact O-N 3.45Å; A214-S218 PolarHBondContact O-OG 2.92Å; I215-S218 CarbonylContact O-C 3.55Å; I215-S218 WeakPolarHBondContact O-CA 3.47Å; I215-S218 WeakPolarHBondContact O-CB 3.28Å; I215-S218 PolarHBondContact O-N 2.95Å; I216-S218 VanDerWaalsContact C-N 3.27Å; I216-S218 PolarHBondContact O-N 3.15Å; S218-N221 PolarHBondContact O-N 2.79Å; S218-I222 WeakPolarHBondContact O-CB 3.37Å; S218-I222 WeakPolarHBondContact O-CD1 3.27Å; S218-I222 WeakPolarHBondContact O-CG1 3.05Å; S218-I222 PolarHBondContact O-N 3.46Å; S218-I539 VanDerWaalsContact CB-CG2 3.47Å; S218-K543 PolarHBondContact OG-NZ 2.93Å
219	L	94.9	Very high	89.4	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-49.7	174.6	-70.7	167.8	0	0	0	110.9	I215 I216 N221 I222 Y223 V237 A238 Y241 L536 I539	I215-L219 HydrophobicContact CG2-CD1 4.23Å; I215-L219 HydrophobicContact CG2-CG 4.35Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 3.24Å; I216-L219 WeakPolarHBondContact O-CB 3.1Å; I216-L219 PolarHBondContact O-N 3.32Å; L219-N221 PolarHBondContact O-N 3.18Å; L219-I222 PolarHBondContact O-N 3.07Å; L219-Y223 PolarHBondContact O-N 3.48Å; L219-V237 HydrophobicContact CD2-CG1 4.1Å; L219-A238 HydrophobicContact CB-CB 4.47Å; L219-A238 HydrophobicContact CD2-CB 4.09Å; L219-A238 WeakPolarHBondContact O-CB 3.3Å; L219-Y241 HydrophobicContact CB-CD1 4.16Å; L219-Y241 HydrophobicContact CD1-CD1 4.2Å; L219-Y241 HydrophobicContact CD1-CD2 4.08Å; L219-Y241 HydrophobicContact CD1-CG 3.84Å; L219-L536 HydrophobicContact CD1-CD2 3.92Å; L219-L536 HydrophobicContact CD2-CD2 4.01Å; L219-L536 HydrophobicContact CG-CD2 4.37Å; L219-I539 HydrophobicContact CD2-CD1 3.58Å; L219-I539 HydrophobicContact CG-CD1 4.44Å
220	R	94.6	Very high	90.2	Very high	85 Å²	85	59.7 Å²	59.7	32%	0.321	31%	0.305	S	S	.	.	H	α-helix	trans	-55.9	-50.2	175.9	-72	177.5	173.1	157.9	-0.5	111.4	I216 I222 Y223 E224 Y241 D521	I216-R220 PolarHBondContact O-N 2.7Å; R220-I222 PolarHBondContact O-N 3.33Å; R220-Y223 PolarHBondContact O-N 3.33Å; R220-E224 WeakPolarHBondContact O-CB 3.32Å; R220-E224 WeakPolarHBondContact O-CG 3.38Å; R220-E224 PolarHBondContact O-N 3.33Å; R220-Y241 HydrophobicContact CG-CE1 4.47Å; R220-D521 IonicContact CZ-OD2 3.89Å; R220-D521 IonicContact NH2-OD1 3.97Å; R220-D521 PolarHBondContact NH2-OD1 3.5Å; R220-D521 IonicContact NH2-OD2 2.78Å; R220-D521 PolarHBondContact NH2-OD2 3.3Å
221	N	94.9	Very high	90.7	Very high	74 Å²	74	60.9 Å²	60.9	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-40.2	177.7	176.9	74.1	0	0	0	113.2	N217 S218 L219 N225	N217-N221 WeakPolarHBondContact O-CB 3.09Å; N217-N221 PolarHBondContact O-N 3.46Å; S218-N221 PolarHBondContact O-N 2.79Å; L219-N221 PolarHBondContact O-N 3.18Å; N221-N225 VanDerWaalsContact O-CB 3.3Å; N221-N225 WeakPolarHBondContact O-CB 2.96Å; N221-N225 PolarHBondContact O-N 3.29Å; N221-N225 PolarHBondContact O-ND2 3.27Å; N221-N225 PolarHBondContact OD1-ND2 3.17Å
222	I	95.9	Very high	91.2	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.108	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-45	176.7	-72.2	161.3	0	0	0	110.1	S218 L219 R220 S226 K234 A238 I539	S218-I222 WeakPolarHBondContact O-CB 3.37Å; S218-I222 WeakPolarHBondContact O-CD1 3.27Å; S218-I222 WeakPolarHBondContact O-CG1 3.05Å; S218-I222 PolarHBondContact O-N 3.46Å; L219-I222 PolarHBondContact O-N 3.07Å; R220-I222 PolarHBondContact O-N 3.33Å; I222-S226 WeakPolarHBondContact O-CA 3.03Å; I222-S226 WeakPolarHBondContact O-CB 3.11Å; I222-S226 PolarHBondContact O-N 2.65Å; I222-S226 PolarHBondContact O-OG 3.48Å; I222-K234 HydrophobicContact CD1-CB 4.38Å; I222-A238 HydrophobicContact CB-CB 4.1Å; I222-A238 HydrophobicContact CG2-CB 3.82Å; I222-I539 HydrophobicContact CD1-CD1 3.87Å; I222-I539 HydrophobicContact CD1-CG1 3.95Å; I222-I539 HydrophobicContact CD1-CG2 4.24Å
223	Y	94.9	Very high	91.7	Very high	37 Å²	37	61 Å²	61	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-46.5	179.7	-177.9	-114.8	0	0	0	112.1	L219 R220 Y235 Q239 D242 Y616	L219-Y223 PolarHBondContact O-N 3.48Å; R220-Y223 PolarHBondContact O-N 3.33Å; Y223-Y235 HydrophobicContact CD2-CE2 4.26Å; Y223-Q239 HydrophobicContact CD2-CB 3.96Å; Y223-Q239 HydrophobicContact CD2-CG 4.46Å; Y223-Q239 HydrophobicContact CE2-CB 3.87Å; Y223-Q239 HydrophobicContact CE2-CG 3.86Å; Y223-D242 HydrophobicContact CD1-CB 3.83Å; Y223-D242 VanDerWaalsContact CD1-CG 3.48Å; Y223-D242 HydrophobicContact CD2-CB 4.43Å; Y223-D242 HydrophobicContact CE1-CB 3.92Å; Y223-D242 WeakPolarHBondContact CE1-OD2 3.48Å; Y223-D242 HydrophobicContact CG-CB 4.1Å; Y223-D242 PolarHBondContact OH-OD2 3.12Å; Y223-Y616 WeakPolarHBondContact OH-CD1 3.27Å; Y223-Y616 WeakPolarHBondContact OH-CE1 3.11Å
224	E	94.1	Very high	92.3	Very high	139 Å²	139	58.6 Å²	58.6	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-69.4	-41.3	-178.4	-70.3	173.6	176.7	0	0	112.8	R220	R220-E224 WeakPolarHBondContact O-CB 3.32Å; R220-E224 WeakPolarHBondContact O-CG 3.38Å; R220-E224 PolarHBondContact O-N 3.33Å
225	N	94.5	Very high	92.7	Very high	111 Å²	111	57.5 Å²	57.5	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-107.8	-13	-167.3	-63	-50.9	0	0	0	114.8	N221	N221-N225 VanDerWaalsContact O-CB 3.3Å; N221-N225 WeakPolarHBondContact O-CB 2.96Å; N221-N225 PolarHBondContact O-N 3.29Å; N221-N225 PolarHBondContact O-ND2 3.27Å; N221-N225 PolarHBondContact OD1-ND2 3.17Å
226	S	90.6	Very high	93	Very high	30 Å²	30	58.2 Å²	58.2	21%	0.21	30%	0.295	C	S	.	.			trans	-112.6	28.8	-172.7	-47.2	0	0	0	0	114.1	I222 G228 Q229 Y235	I222-S226 WeakPolarHBondContact O-CA 3.03Å; I222-S226 WeakPolarHBondContact O-CB 3.11Å; I222-S226 PolarHBondContact O-N 2.65Å; I222-S226 PolarHBondContact O-OG 3.48Å; S226-G228 PolarHBondContact O-N 3.42Å; S226-G228 VanDerWaalsContact O-N 3.1Å; S226-Q229 PolarHBondContact O-N 3.44Å; S226-Y235 WeakPolarHBondContact O-CD2 3.44Å
227	Y	82.1	Confident	93.3	Very high	148 Å²	148	58.1 Å²	58.1	58%	0.58	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-53.3	-33.2	179.8	-169.4	-93.3	0	0	0	113.6	Q229 Y230 Y235	Y227-Q229 PolarHBondContact O-N 3.41Å; Y227-Q229 VanDerWaalsContact O-N 3.12Å; Y227-Y230 PolarHBondContact O-N 2.96Å; Y227-Y235 HydrophobicContact CD2-CE2 4.47Å; Y227-Y235 WeakPolarHBondContact CD2-OH 3.41Å
228	G	86.3	Confident	93.6	Very high	76 Å²	76	53.7 Å²	53.7	78%	0.784	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.4	-15.9	175.5	0	0	0	0	0	114.6	S226	S226-G228 PolarHBondContact O-N 3.42Å; S226-G228 VanDerWaalsContact O-N 3.1Å
229	Q	90.9	Very high	93.7	Very high	121 Å²	121	54.1 Å²	54.1	57%	0.565	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-108.6	33.7	178.7	-59.4	-176.8	-5	0	0	111.9	S226 Y227 N231 S232 Y235	S226-Q229 PolarHBondContact O-N 3.44Å; Y227-Q229 PolarHBondContact O-N 3.41Å; Y227-Q229 VanDerWaalsContact O-N 3.12Å; Q229-N231 PolarHBondContact O-N 2.89Å; Q229-S232 VanDerWaalsContact O-CB 3.27Å; Q229-S232 WeakPolarHBondContact O-CB 3.24Å; Q229-S232 PolarHBondContact O-N 3.24Å; Q229-S232 PolarHBondContact O-OG 3.44Å; Q229-Y235 WeakPolarHBondContact O-CB 3.09Å
230	Y	91.7	Very high	93.8	Very high	129 Å²	129	54 Å²	54	51%	0.506	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.3	-173.9	71.5	-86.9	0	0	0	115.3	Y227	Y227-Y230 PolarHBondContact O-N 2.96Å
231	N	92.1	Very high	93.8	Very high	98 Å²	98	50 Å²	50	52%	0.524	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.6	177	-75	-38.2	0	0	0	114.1	Q229 K236	Q229-N231 PolarHBondContact O-N 2.89Å; N231-K236 WeakPolarHBondContact O-CE 3.49Å
232	S	95.6	Very high	93.8	Very high	11 Å²	11	48.7 Å²	48.7	8%	0.077	25%	0.249	C	C	.	.	S	Bend	trans	-70.1	149.1	179.4	70.4	0	0	0	0	111.7	Q229 K234 Y235 K236 N606	Q229-S232 VanDerWaalsContact O-CB 3.27Å; Q229-S232 WeakPolarHBondContact O-CB 3.24Å; Q229-S232 PolarHBondContact O-N 3.24Å; Q229-S232 PolarHBondContact O-OG 3.44Å; S232-K234 VanDerWaalsContact C-N 3.3Å; S232-K234 PolarHBondContact O-N 3.2Å; S232-Y235 PolarHBondContact O-N 3.42Å; S232-Y235 WeakPolarHBondContact OG-CB 3.5Å; S232-Y235 PolarHBondContact OG-N 2.67Å; S232-Y235 VanDerWaalsContact OG-N 3.11Å; S232-K236 VanDerWaalsContact O-CG 3.32Å; S232-K236 WeakPolarHBondContact O-CG 3.45Å; S232-K236 PolarHBondContact O-N 3.31Å; S232-N606 VanDerWaalsContact CA-OD1 3.26Å; S232-N606 WeakPolarHBondContact CA-OD1 3.28Å
233	A	95	Very high	93.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-44.5	175.3	0	0	0	0	0	111.1	Y235 K236 V237 V535 L605 N606 Y609	A233-Y235 PolarHBondContact O-N 3.45Å; A233-K236 PolarHBondContact O-N 2.83Å; A233-V237 WeakPolarHBondContact O-CG2 3.12Å; A233-V237 PolarHBondContact O-N 3.01Å; A233-V535 HydrophobicContact CB-CG2 4.12Å; A233-L605 HydrophobicContact CB-CD2 4.09Å; A233-L605 HydrophobicContact CB-CG 3.81Å; A233-N606 PolarHBondContact N-OD1 2.04Å; A233-Y609 HydrophobicContact CB-CD2 3.79Å; A233-Y609 HydrophobicContact CB-CG 4.08Å
234	K	96.1	Very high	93.6	Very high	17 Å²	17	46.1 Å²	46.1	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-47.5	178.5	-65.4	177.9	-175.5	165.6	0	111.7	I222 S232 V237 A238 V535 I539 E542 D602 L605	I222-K234 HydrophobicContact CD1-CB 4.38Å; S232-K234 VanDerWaalsContact C-N 3.3Å; S232-K234 PolarHBondContact O-N 3.2Å; K234-V237 PolarHBondContact O-N 3.13Å; K234-A238 WeakPolarHBondContact O-CB 3.05Å; K234-A238 PolarHBondContact O-N 3.29Å; K234-V535 HydrophobicContact CG-CG1 4.21Å; K234-I539 HydrophobicContact CB-CD1 4.47Å; K234-I539 HydrophobicContact CB-CG1 4.44Å; K234-I539 HydrophobicContact CD-CG1 4.24Å; K234-I539 HydrophobicContact CG-CD1 4.44Å; K234-I539 HydrophobicContact CG-CG1 3.96Å; K234-E542 IonicContact NZ-OE1 3.98Å; K234-E542 IonicContact NZ-OE2 3.72Å; K234-E542 PolarHBondContact NZ-OE2 2.92Å; K234-D602 VanDerWaalsContact CE-OD1 3.24Å; K234-D602 WeakPolarHBondContact CE-OD1 3.27Å; K234-D602 IonicContact NZ-OD1 3.18Å; K234-D602 PolarHBondContact NZ-OD1 3.43Å; K234-D602 IonicContact NZ-OD2 3.8Å; K234-D602 PolarHBondContact NZ-OD2 3.44Å; K234-L605 HydrophobicContact CG-CD2 4.26Å
235	Y	97.2	Very high	93.4	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-43.3	177.7	-176.3	-85.1	0	0	0	112.6	Y223 S226 Y227 Q229 S232 A233 V237 A238 Q239	Y223-Y235 HydrophobicContact CD2-CE2 4.26Å; S226-Y235 WeakPolarHBondContact O-CD2 3.44Å; Y227-Y235 HydrophobicContact CD2-CE2 4.47Å; Y227-Y235 WeakPolarHBondContact CD2-OH 3.41Å; Q229-Y235 WeakPolarHBondContact O-CB 3.09Å; S232-Y235 PolarHBondContact O-N 3.42Å; S232-Y235 WeakPolarHBondContact OG-CB 3.5Å; S232-Y235 PolarHBondContact OG-N 2.67Å; S232-Y235 VanDerWaalsContact OG-N 3.11Å; A233-Y235 PolarHBondContact O-N 3.45Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.38Å; Y235-A238 WeakPolarHBondContact O-CB 3.47Å; Y235-A238 PolarHBondContact O-N 2.94Å; Y235-Q239 HydrophobicContact CE1-CB 4.28Å; Y235-Q239 WeakPolarHBondContact O-CB 3.37Å; Y235-Q239 PolarHBondContact O-N 2.79Å
236	K	97.1	Very high	93.1	Very high	17 Å²	17	38 Å²	38	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-45.8	177.2	-71.1	177.3	-176.7	-169.9	0	111.3	N231 S232 A233 Q239 F240 Y609 R610 L612 T614	N231-K236 WeakPolarHBondContact O-CE 3.49Å; S232-K236 VanDerWaalsContact O-CG 3.32Å; S232-K236 WeakPolarHBondContact O-CG 3.45Å; S232-K236 PolarHBondContact O-N 3.31Å; A233-K236 PolarHBondContact O-N 2.83Å; K236-Q239 PolarHBondContact O-N 3.47Å; K236-F240 PolarHBondContact O-N 2.78Å; K236-Y609 PolarHBondContact NZ-O 2.98Å; K236-R610 PolarHBondContact NZ-O 3.01Å; K236-L612 HydrophobicContact CB-CD2 4.29Å; K236-L612 HydrophobicContact CD-CB 4.49Å; K236-L612 WeakPolarHBondContact CD-O 3.48Å; K236-L612 WeakPolarHBondContact CE-O 3.34Å; K236-L612 PolarHBondContact NZ-O 3.11Å; K236-T614 HydrophobicContact CB-CG2 3.96Å; K236-T614 WeakPolarHBondContact O-CG2 3.3Å
237	V	95.7	Very high	92.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-38.4	177.8	174.1	0	0	0	0	111.6	L219 A233 K234 Y235 F240 Y241 T528 F532 V535 L536	L219-V237 HydrophobicContact CD2-CG1 4.1Å; A233-V237 WeakPolarHBondContact O-CG2 3.12Å; A233-V237 PolarHBondContact O-N 3.01Å; K234-V237 PolarHBondContact O-N 3.13Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.38Å; V237-F240 WeakPolarHBondContact O-CB 3.37Å; V237-F240 PolarHBondContact O-N 2.69Å; V237-Y241 PolarHBondContact O-N 3.49Å; V237-T528 HydrophobicContact CG1-CG2 3.57Å; V237-F532 HydrophobicContact CG1-CB 3.96Å; V237-F532 HydrophobicContact CG1-CD2 4.17Å; V237-F532 HydrophobicContact CG1-CG 4.33Å; V237-F532 HydrophobicContact CG2-CB 3.71Å; V237-F532 HydrophobicContact CG2-CD1 4.14Å; V237-F532 HydrophobicContact CG2-CD2 4Å; V237-F532 HydrophobicContact CG2-CG 3.68Å; V237-V535 HydrophobicContact CB-CB 4.34Å; V237-V535 HydrophobicContact CB-CG1 3.84Å; V237-V535 HydrophobicContact CG1-CB 4.44Å; V237-V535 HydrophobicContact CG1-CG1 4.22Å; V237-V535 HydrophobicContact CG2-CB 3.82Å; V237-V535 HydrophobicContact CG2-CG1 3.72Å; V237-V535 HydrophobicContact CG2-CG2 3.83Å; V237-L536 HydrophobicContact CG1-CD2 3.97Å
238	A	97	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-43.7	172.7	0	0	0	0	0	112.4	L219 I222 K234 Y235 Y241 D242	L219-A238 HydrophobicContact CB-CB 4.47Å; L219-A238 HydrophobicContact CD2-CB 4.09Å; L219-A238 WeakPolarHBondContact O-CB 3.3Å; I222-A238 HydrophobicContact CB-CB 4.1Å; I222-A238 HydrophobicContact CG2-CB 3.82Å; K234-A238 WeakPolarHBondContact O-CB 3.05Å; K234-A238 PolarHBondContact O-N 3.29Å; Y235-A238 WeakPolarHBondContact O-CB 3.47Å; Y235-A238 PolarHBondContact O-N 2.94Å; A238-Y241 PolarHBondContact O-N 3.35Å; A238-D242 WeakPolarHBondContact O-CB 3.41Å; A238-D242 PolarHBondContact O-N 3.37Å
239	Q	96.6	Very high	93.5	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-35.6	174.8	-178.3	175.3	57.6	0	0	112.3	Y223 Y235 K236 S243 T614	Y223-Q239 HydrophobicContact CD2-CB 3.96Å; Y223-Q239 HydrophobicContact CD2-CG 4.46Å; Y223-Q239 HydrophobicContact CE2-CB 3.87Å; Y223-Q239 HydrophobicContact CE2-CG 3.86Å; Y235-Q239 HydrophobicContact CE1-CB 4.28Å; Y235-Q239 WeakPolarHBondContact O-CB 3.37Å; Y235-Q239 PolarHBondContact O-N 2.79Å; K236-Q239 PolarHBondContact O-N 3.47Å; Q239-S243 VanDerWaalsContact O-CB 3.29Å; Q239-S243 WeakPolarHBondContact O-CB 3.37Å; Q239-S243 PolarHBondContact O-N 3.2Å; Q239-S243 PolarHBondContact O-OG 3.15Å; Q239-T614 PolarHBondContact OE1-O 2.77Å; Q239-T614 PolarHBondContact OE1-OG1 2.84Å
240	F	96	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-51.3	172.5	177.1	-84.3	0	0	0	110.7	K236 V237 S243 C244 V527 T528 L531 F532 T614 Y618 N621 L622 A625	K236-F240 PolarHBondContact O-N 2.78Å; V237-F240 WeakPolarHBondContact O-CB 3.37Å; V237-F240 PolarHBondContact O-N 2.69Å; F240-S243 PolarHBondContact O-N 2.96Å; F240-S243 PolarHBondContact O-OG 3.45Å; F240-C244 PolarHBondContact O-N 2.81Å; F240-C244 VanDerWaalsContact O-N 3.13Å; F240-V527 HydrophobicContact CE1-CG1 4.19Å; F240-V527 HydrophobicContact CZ-CG1 4.08Å; F240-T528 HydrophobicContact CD1-CG2 4.34Å; F240-L531 HydrophobicContact CE1-CD1 4Å; F240-L531 HydrophobicContact CE2-CD1 4Å; F240-L531 HydrophobicContact CZ-CD1 3.4Å; F240-F532 HydrophobicContact CB-CE2 4.21Å; F240-F532 HydrophobicContact CD1-CD2 4.21Å; F240-F532 AromaticContact CD1-CE2 3.72Å; F240-F532 HydrophobicContact CD1-CE2 3.72Å; F240-F532 AromaticContact CD2-CE2 3.74Å; F240-F532 HydrophobicContact CD2-CE2 3.74Å; F240-F532 HydrophobicContact CD2-CZ 4.22Å; F240-F532 AromaticContact CE1-CE2 3.98Å; F240-F532 HydrophobicContact CE1-CE2 3.98Å; F240-F532 HydrophobicContact CE2-CE2 4.02Å; F240-F532 HydrophobicContact CE2-CZ 4.46Å; F240-F532 HydrophobicContact CG-CD2 4.41Å; F240-F532 AromaticContact CG-CE2 3.61Å; F240-F532 HydrophobicContact CG-CE2 3.61Å; F240-F532 HydrophobicContact CG-CZ 4.46Å; F240-F532 HydrophobicContact CZ-CE2 4.14Å; F240-T614 HydrophobicContact CB-CG2 4.5Å; F240-Y618 HydrophobicContact CE1-CE2 4.15Å; F240-Y618 HydrophobicContact CE2-CE2 4.14Å; F240-Y618 AromaticContact CZ-CE2 3.77Å; F240-Y618 HydrophobicContact CZ-CE2 3.77Å; F240-N621 HydrophobicContact CD2-CB 3.78Å; F240-N621 HydrophobicContact CE2-CB 4.25Å; F240-L622 HydrophobicContact CZ-CD1 4.41Å; F240-A625 HydrophobicContact CE2-CB 4.37Å
241	Y	94.4	Very high	93.5	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-58.6	-50.6	178.5	175.3	-96.1	0	0	0	111.6	I216 L219 R220 V237 A238 S243 C244 T245 D521 C524 F525	I216-Y241 HydrophobicContact CG1-CE2 4.32Å; I216-Y241 HydrophobicContact CG2-CE1 4.13Å; I216-Y241 VanDerWaalsContact CG2-OH 3.24Å; I216-Y241 WeakPolarHBondContact CG2-OH 3.19Å; L219-Y241 HydrophobicContact CB-CD1 4.16Å; L219-Y241 HydrophobicContact CD1-CD1 4.2Å; L219-Y241 HydrophobicContact CD1-CD2 4.08Å; L219-Y241 HydrophobicContact CD1-CG 3.84Å; R220-Y241 HydrophobicContact CG-CE1 4.47Å; V237-Y241 PolarHBondContact O-N 3.49Å; A238-Y241 PolarHBondContact O-N 3.35Å; Y241-S243 VanDerWaalsContact C-N 3.34Å; Y241-S243 PolarHBondContact O-N 2.95Å; Y241-C244 VanDerWaalsContact O-CB 3.27Å; Y241-C244 WeakPolarHBondContact O-CB 3.32Å; Y241-C244 PolarHBondContact O-N 3.22Å; Y241-T245 HydrophobicContact CE1-CG2 4.04Å; Y241-T245 HydrophobicContact CE2-CG2 4.13Å; Y241-T245 PolarHBondContact O-N 3.02Å; Y241-D521 PolarHBondContact OH-O 3.26Å; Y241-D521 PolarHBondContact OH-OD1 3.32Å; Y241-C524 HydrophobicContact CD2-CB 4.29Å; Y241-C524 HydrophobicContact CE2-CB 4.11Å; Y241-F525 HydrophobicContact CE2-CB 4Å
242	D	95.2	Very high	93.5	Very high	46 Å²	46	32.5 Å²	32.5	25%	0.246	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-41.9	179	-175.8	80.7	0	0	0	112.5	Y223 A238 C244 T245 S246	Y223-D242 HydrophobicContact CD1-CB 3.83Å; Y223-D242 VanDerWaalsContact CD1-CG 3.48Å; Y223-D242 HydrophobicContact CD2-CB 4.43Å; Y223-D242 HydrophobicContact CE1-CB 3.92Å; Y223-D242 WeakPolarHBondContact CE1-OD2 3.48Å; Y223-D242 HydrophobicContact CG-CB 4.1Å; Y223-D242 PolarHBondContact OH-OD2 3.12Å; A238-D242 WeakPolarHBondContact O-CB 3.41Å; A238-D242 PolarHBondContact O-N 3.37Å; D242-C244 PolarHBondContact O-N 2.7Å; D242-T245 PolarHBondContact O-N 2.87Å; D242-T245 PolarHBondContact O-OG1 3.17Å; D242-T245 VanDerWaalsContact O-OG1 3.08Å; D242-S246 WeakPolarHBondContact O-CB 3.33Å; D242-S246 PolarHBondContact O-N 3.45Å
243	S	94.2	Very high	93.4	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-31.1	176	72.1	0	0	0	0	112.8	Q239 F240 Y241 Y618 N621	Q239-S243 VanDerWaalsContact O-CB 3.29Å; Q239-S243 WeakPolarHBondContact O-CB 3.37Å; Q239-S243 PolarHBondContact O-N 3.2Å; Q239-S243 PolarHBondContact O-OG 3.15Å; F240-S243 PolarHBondContact O-N 2.96Å; F240-S243 PolarHBondContact O-OG 3.45Å; Y241-S243 VanDerWaalsContact C-N 3.34Å; Y241-S243 PolarHBondContact O-N 2.95Å; S243-Y618 WeakPolarHBondContact O-CB 3.42Å; S243-N621 PolarHBondContact OG-ND2 2.63Å
244	C	92.2	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-45.7	178.8	-176.2	0	0	0	0	112	F240 Y241 D242 S246 R250 C524 Y618	F240-C244 PolarHBondContact O-N 2.81Å; F240-C244 VanDerWaalsContact O-N 3.13Å; Y241-C244 VanDerWaalsContact O-CB 3.27Å; Y241-C244 WeakPolarHBondContact O-CB 3.32Å; Y241-C244 PolarHBondContact O-N 3.22Å; D242-C244 PolarHBondContact O-N 2.7Å; C244-S246 VanDerWaalsContact C-N 3.33Å; C244-R250 PolarHBondContact O-NH1 2.9Å; C244-C524 HydrophobicContact CB-CB 3.67Å; C244-C524 WeakPolarHBondContact CB-SG 3.01Å; C244-C524 PolarHBondContact O-SG 3.2Å; C244-C524 VanDerWaalsContact SG-CA 3.51Å; C244-C524 WeakPolarHBondContact SG-CB 3.31Å; C244-C524 CovalentContact SG-SG 2.04Å; C244-C524 PolarHBondContact SG-SG 3.19Å; C244-Y618 VanDerWaalsContact CA-CD2 3.46Å; C244-Y618 HydrophobicContact CB-CD2 3.6Å; C244-Y618 HydrophobicContact CB-CE2 3.36Å; C244-Y618 HydrophobicContact CB-CG 4.32Å
245	T	90.3	Very high	93.2	Very high	28 Å²	28	32.8 Å²	32.8	17%	0.172	17%	0.173	C	C	.	.	H	α-helix	trans	-75.4	-23.1	-177.5	58.4	0	0	0	0	112.2	Y241 D242 T247 D521 C524	Y241-T245 HydrophobicContact CE1-CG2 4.04Å; Y241-T245 HydrophobicContact CE2-CG2 4.13Å; Y241-T245 PolarHBondContact O-N 3.02Å; D242-T245 PolarHBondContact O-N 2.87Å; D242-T245 PolarHBondContact O-OG1 3.17Å; D242-T245 VanDerWaalsContact O-OG1 3.08Å; T245-T247 PolarHBondContact O-N 3.23Å; T245-T247 VanDerWaalsContact O-N 3.12Å; T245-D521 WeakPolarHBondContact CG2-OD1 3.31Å; T245-C524 HydrophobicContact CG2-CB 3.67Å
246	S	88.7	Confident	93.1	Very high	52 Å²	52	34.5 Å²	34.5	36%	0.364	18%	0.181	S	C	.	.			trans	-73.6	98.1	175.7	-169.9	0	0	0	0	112.7	D242 C244	D242-S246 WeakPolarHBondContact O-CB 3.33Å; D242-S246 PolarHBondContact O-N 3.45Å; C244-S246 VanDerWaalsContact C-N 3.33Å
247	T	86.9	Confident	93	Very high	44 Å²	44	34.3 Å²	34.3	27%	0.27	18%	0.181	S	C	.	.	H	α-helix	trans	-75.3	-27.9	-178.3	56.9	0	0	0	0	114.1	T245 L249 R250 N251 M520	T245-T247 PolarHBondContact O-N 3.23Å; T245-T247 VanDerWaalsContact O-N 3.12Å; T247-L249 PolarHBondContact O-N 3.48Å; T247-R250 PolarHBondContact O-N 3Å; T247-N251 VanDerWaalsContact O-CB 3.31Å; T247-N251 WeakPolarHBondContact O-CB 3.34Å; T247-N251 PolarHBondContact O-N 3.21Å; T247-N251 PolarHBondContact O-ND2 3.02Å; T247-M520 HydrophobicContact CG2-CE 3.43Å; T247-M520 VanDerWaalsContact CG2-CE 3.43Å; T247-M520 HydrophobicContact CG2-SD 3.29Å; T247-M520 WeakPolarHBondContact CG2-SD 3.4Å
248	S	91	Very high	93	Very high	91 Å²	91	34.3 Å²	34.3	64%	0.636	18%	0.181	S	C	*	.	H	α-helix	trans	-57.1	-48.1	-172.3	-59.8	0	0	0	0	112.9	W252	S248-W252 WeakPolarHBondContact O-CB 3.29Å; S248-W252 PolarHBondContact O-N 3.19Å
249	L	89.6	Confident	93	Very high	60 Å²	60	34.3 Å²	34.3	31%	0.314	18%	0.181	S	C	.	.	H	α-helix	trans	-72.9	-37.3	179.6	-176.1	61.4	0	0	0	111.8	T247 N251 W252 L253 Y616	T247-L249 PolarHBondContact O-N 3.48Å; L249-N251 VanDerWaalsContact C-N 3.32Å; L249-N251 PolarHBondContact O-N 3.2Å; L249-W252 HydrophobicContact CD1-CE3 4.03Å; L249-W252 PolarHBondContact O-N 3.25Å; L249-L253 HydrophobicContact CD1-CD1 3.94Å; L249-L253 HydrophobicContact CD1-CG 4.06Å; L249-L253 HydrophobicContact CD2-CD1 4.42Å; L249-L253 HydrophobicContact CG-CD1 3.8Å; L249-L253 HydrophobicContact CG-CG 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.21Å; L249-L253 VanDerWaalsContact O-CG 3.28Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.22Å; L249-Y616 WeakPolarHBondContact CD2-O 3.37Å
250	R	90.2	Very high	92.9	Very high	17 Å²	17	38.7 Å²	38.7	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-43.7	174.8	-67.9	174.7	58.6	-176.5	-1.8	111.2	C244 T247 L253 G254 W499 H500 L501	C244-R250 PolarHBondContact O-NH1 2.9Å; T247-R250 PolarHBondContact O-N 3Å; R250-L253 PolarHBondContact O-N 3.48Å; R250-G254 PolarHBondContact O-N 2.83Å; R250-W499 PolarHBondContact NH2-O 3.46Å; R250-H500 PolarHBondContact NE-O 2.7Å; R250-L501 PolarHBondContact NE-O 2.96Å; R250-L501 PolarHBondContact NH2-O 2.92Å
251	N	92.9	Very high	92.9	Very high	74 Å²	74	41.6 Å²	41.6	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-43.3	177.4	-70.1	-16.1	0	0	0	111.9	T247 L249 L253 Y503	T247-N251 VanDerWaalsContact O-CB 3.31Å; T247-N251 WeakPolarHBondContact O-CB 3.34Å; T247-N251 PolarHBondContact O-N 3.21Å; T247-N251 PolarHBondContact O-ND2 3.02Å; L249-N251 VanDerWaalsContact C-N 3.32Å; L249-N251 PolarHBondContact O-N 3.2Å; N251-L253 VanDerWaalsContact C-N 3.34Å; N251-L253 PolarHBondContact O-N 3.36Å; N251-Y503 VanDerWaalsContact OD1-CB 3.28Å; N251-Y503 WeakPolarHBondContact OD1-CB 3.39Å; N251-Y503 PolarHBondContact OD1-N 3.09Å
252	W	92.2	Very high	93	Very high	200 Å²	200	41.6 Å²	41.6	76%	0.758	21%	0.213	S	C	*	.	H	α-helix	trans	-65.5	-36.8	177.9	-175.7	75.1	0	0	0	112.9	S248 L249	S248-W252 WeakPolarHBondContact O-CB 3.29Å; S248-W252 PolarHBondContact O-N 3.19Å; L249-W252 HydrophobicContact CD1-CE3 4.03Å; L249-W252 PolarHBondContact O-N 3.25Å
253	L	91.9	Very high	93	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-81.1	-26.7	-178.5	-71.6	173.9	0	0	0	114	L249 R250 N251 A255 H256 P257 N617	L249-L253 HydrophobicContact CD1-CD1 3.94Å; L249-L253 HydrophobicContact CD1-CG 4.06Å; L249-L253 HydrophobicContact CD2-CD1 4.42Å; L249-L253 HydrophobicContact CG-CD1 3.8Å; L249-L253 HydrophobicContact CG-CG 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.21Å; L249-L253 VanDerWaalsContact O-CG 3.28Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.22Å; R250-L253 PolarHBondContact O-N 3.48Å; N251-L253 VanDerWaalsContact C-N 3.34Å; N251-L253 PolarHBondContact O-N 3.36Å; L253-A255 PolarHBondContact O-N 3.04Å; L253-H256 WeakPolarHBondContact O-CB 3.1Å; L253-H256 PolarHBondContact O-N 3.36Å; L253-H256 VanDerWaalsContact O-N 3.08Å; L253-P257 HydrophobicContact CB-CG 3.7Å; L253-P257 HydrophobicContact CD1-CG 3.82Å; L253-P257 HydrophobicContact CD2-CG 4.17Å; L253-P257 HydrophobicContact CG-CG 4.11Å; L253-P257 WeakPolarHBondContact O-CD 3.27Å; L253-N617 WeakPolarHBondContact CD1-ND2 3.27Å
254	G	93	Very high	93.1	Very high	7 Å²	7	41 Å²	41	7%	0.072	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-136.3	-176.5	0	0	0	0	0	112.3	R250 D375	R250-G254 PolarHBondContact O-N 2.83Å; G254-D375 WeakPolarHBondContact CA-OD2 3.41Å
255	A	95.2	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.6	174.9	0	0	0	0	0	115.1	L253 L258 M259 F296 L372 D375 L501 Y505	L253-A255 PolarHBondContact O-N 3.04Å; A255-L258 WeakPolarHBondContact O-CB 3.5Å; A255-L258 PolarHBondContact O-N 3.29Å; A255-L258 VanDerWaalsContact O-N 3.12Å; A255-M259 HydrophobicContact CB-CG 4.47Å; A255-M259 WeakPolarHBondContact O-CG 3.22Å; A255-M259 PolarHBondContact O-N 2.91Å; A255-F296 HydrophobicContact CB-CE1 4.07Å; A255-L372 HydrophobicContact CB-CD1 3.66Å; A255-D375 PolarHBondContact N-OD2 3.13Å; A255-L501 HydrophobicContact CB-CD1 4.13Å; A255-Y505 HydrophobicContact CB-CE2 4.19Å; A255-Y505 WeakPolarHBondContact CB-OH 3.37Å
256	H	94.9	Very high	93.6	Very high	39 Å²	39	40.8 Å²	40.8	18%	0.181	21%	0.209	C	C	.	.	H	α-helix	trans	-55.6	-46.2	-174.1	168.2	-92.3	0	0	0	113.9	L253 L258 M259 K260 F296 D298	L253-H256 WeakPolarHBondContact O-CB 3.1Å; L253-H256 PolarHBondContact O-N 3.36Å; L253-H256 VanDerWaalsContact O-N 3.08Å; H256-L258 VanDerWaalsContact C-N 3.3Å; H256-L258 PolarHBondContact O-N 3.22Å; H256-M259 PolarHBondContact O-N 3.03Å; H256-K260 WeakPolarHBondContact O-CB 3.46Å; H256-K260 PolarHBondContact O-N 3.15Å; H256-F296 HydrophobicContact CB-CB 4.21Å; H256-F296 HydrophobicContact CB-CD1 4.02Å; H256-F296 HydrophobicContact CB-CG 4.46Å; H256-F296 PolarHBondContact CD2-O 3.49Å; H256-D298 IonicContact NE2-OD2 3.88Å
257	P	94	Very high	93.9	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-35.2	179	-20.9	33.1	0	0	0	112.9	L253 K261 L619	L253-P257 HydrophobicContact CB-CG 3.7Å; L253-P257 HydrophobicContact CD1-CG 3.82Å; L253-P257 HydrophobicContact CD2-CG 4.17Å; L253-P257 HydrophobicContact CG-CG 4.11Å; L253-P257 WeakPolarHBondContact O-CD 3.27Å; P257-K261 PolarHBondContact O-N 2.71Å; P257-L619 HydrophobicContact CB-CB 4.41Å; P257-L619 HydrophobicContact CB-CD2 3.79Å
258	L	95.9	Very high	94.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-50.4	176	-176	62.6	0	0	0	110	A255 H256 K260 K261 V262 V493 L494 Y497 L501 L619 F623	A255-L258 WeakPolarHBondContact O-CB 3.5Å; A255-L258 PolarHBondContact O-N 3.29Å; A255-L258 VanDerWaalsContact O-N 3.12Å; H256-L258 VanDerWaalsContact C-N 3.3Å; H256-L258 PolarHBondContact O-N 3.22Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K260 PolarHBondContact O-N 3.23Å; L258-K261 PolarHBondContact O-N 3.48Å; L258-V262 HydrophobicContact CD1-CG2 3.64Å; L258-V262 HydrophobicContact CG-CG2 3.98Å; L258-V262 WeakPolarHBondContact O-CB 3.47Å; L258-V262 WeakPolarHBondContact O-CG2 3.35Å; L258-V262 PolarHBondContact O-N 2.88Å; L258-V493 HydrophobicContact CD1-CG1 4.16Å; L258-L494 HydrophobicContact CD2-CD2 4.16Å; L258-Y497 HydrophobicContact CD1-CD1 4.42Å; L258-Y497 HydrophobicContact CD1-CD2 3.92Å; L258-Y497 HydrophobicContact CD1-CG 3.8Å; L258-L501 HydrophobicContact CB-CD2 3.97Å; L258-L501 HydrophobicContact CD2-CD1 4.1Å; L258-L501 HydrophobicContact CD2-CD2 4.12Å; L258-L619 HydrophobicContact CB-CD2 3.73Å; L258-L619 HydrophobicContact CD1-CD2 4.37Å; L258-F623 HydrophobicContact CD1-CE1 4.31Å; L258-F623 HydrophobicContact CD1-CZ 3.97Å
259	M	96.9	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-41	-179.7	-66.5	-53.5	97.4	0	0	111.9	A255 H256 K261 V262 A263 I269 L272 F296 L301 F305 L372 F490 L494	A255-M259 HydrophobicContact CB-CG 4.47Å; A255-M259 WeakPolarHBondContact O-CG 3.22Å; A255-M259 PolarHBondContact O-N 2.91Å; H256-M259 PolarHBondContact O-N 3.03Å; M259-K261 PolarHBondContact O-N 2.92Å; M259-V262 PolarHBondContact O-N 3.04Å; M259-A263 WeakPolarHBondContact O-CB 3.41Å; M259-A263 PolarHBondContact O-N 3.33Å; M259-I269 HydrophobicContact SD-CD1 4.16Å; M259-L272 HydrophobicContact SD-CD1 4.31Å; M259-F296 HydrophobicContact CB-CE2 4.36Å; M259-F296 HydrophobicContact CB-CZ 4.48Å; M259-F296 HydrophobicContact CG-CD2 4.46Å; M259-F296 HydrophobicContact CG-CE1 4.03Å; M259-F296 HydrophobicContact CG-CE2 3.8Å; M259-F296 HydrophobicContact CG-CZ 3.56Å; M259-L301 HydrophobicContact CB-CD1 4.33Å; M259-L301 HydrophobicContact CB-CD2 3.94Å; M259-L301 WeakPolarHBondContact O-CD1 3.34Å; M259-F305 HydrophobicContact CB-CE1 4.17Å; M259-F305 HydrophobicContact CB-CZ 4.06Å; M259-F305 HydrophobicContact CG-CZ 4.4Å; M259-F305 HydrophobicContact SD-CE1 4.42Å; M259-L372 HydrophobicContact CE-CD1 4.38Å; M259-L372 HydrophobicContact CG-CD1 4.33Å; M259-L372 HydrophobicContact SD-CD1 4.08Å; M259-F490 HydrophobicContact CE-CE2 3.71Å; M259-F490 HydrophobicContact CE-CZ 3.89Å; M259-F490 HydrophobicContact SD-CE2 3.88Å; M259-F490 HydrophobicContact SD-CZ 3.77Å; M259-L494 HydrophobicContact CE-CD2 4.27Å
260	K	95.3	Very high	95	Very high	109 Å²	109	32.1 Å²	32.1	47%	0.474	15%	0.15	S	C	.	.	H	α-helix	trans	-59.1	-34	176.1	-174.3	168.5	-177.5	162.2	0	113.3	H256 L258 P264 L301	H256-K260 WeakPolarHBondContact O-CB 3.46Å; H256-K260 PolarHBondContact O-N 3.15Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K260 PolarHBondContact O-N 3.23Å; K260-P264 WeakPolarHBondContact O-CD 3.42Å; K260-L301 HydrophobicContact CB-CD2 4.45Å
261	K	95.3	Very high	95.3	Very high	61 Å²	61	31.3 Å²	31.3	27%	0.265	15%	0.147	S	C	.	.	H	α-helix	trans	-83.6	-37.5	177.2	-175.9	61.8	175.7	175	0	112	P257 L258 M259 L265 L324 F623	P257-K261 PolarHBondContact O-N 2.71Å; L258-K261 PolarHBondContact O-N 3.48Å; M259-K261 PolarHBondContact O-N 2.92Å; K261-L265 HydrophobicContact CD-CD1 4.47Å; K261-L265 HydrophobicContact CG-CD1 4.36Å; K261-L265 VanDerWaalsContact O-CD1 3.29Å; K261-L265 WeakPolarHBondContact O-CD1 3.02Å; K261-L265 VanDerWaalsContact O-CG 3.25Å; K261-L265 WeakPolarHBondContact O-CG 3.26Å; K261-L324 HydrophobicContact CG-CD2 3.8Å; K261-F623 HydrophobicContact CB-CD2 4.34Å; K261-F623 HydrophobicContact CB-CE2 3.65Å; K261-F623 HydrophobicContact CB-CZ 3.9Å; K261-F623 HydrophobicContact CG-CD2 4.06Å; K261-F623 HydrophobicContact CG-CE1 4.4Å; K261-F623 HydrophobicContact CG-CE2 3.78Å; K261-F623 HydrophobicContact CG-CG 4.49Å; K261-F623 HydrophobicContact CG-CZ 3.96Å
262	V	96.4	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-86.6	-41.8	-168	171.5	0	0	0	0	113.1	L258 M259 L265 L266 I269 L324 F490 V493	L258-V262 HydrophobicContact CD1-CG2 3.64Å; L258-V262 HydrophobicContact CG-CG2 3.98Å; L258-V262 WeakPolarHBondContact O-CB 3.47Å; L258-V262 WeakPolarHBondContact O-CG2 3.35Å; L258-V262 PolarHBondContact O-N 2.88Å; M259-V262 PolarHBondContact O-N 3.04Å; V262-L265 PolarHBondContact O-N 2.96Å; V262-L266 HydrophobicContact CG1-CD1 3.59Å; V262-L266 HydrophobicContact CG1-CG 4.04Å; V262-L266 PolarHBondContact O-N 3.15Å; V262-I269 HydrophobicContact CG1-CD1 4.38Å; V262-L324 HydrophobicContact CG2-CD1 3.68Å; V262-F490 HydrophobicContact CG1-CD2 4.28Å; V262-F490 HydrophobicContact CG1-CE2 4.36Å; V262-V493 HydrophobicContact CB-CG1 4.36Å; V262-V493 HydrophobicContact CG1-CG1 3.94Å; V262-V493 HydrophobicContact CG1-CG2 4.34Å; V262-V493 HydrophobicContact CG2-CG1 3.49Å; V262-V493 VanDerWaalsContact CG2-CG1 3.49Å
263	A	96.6	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-56.8	-42.9	-175.4	0	0	0	0	0	113.2	M259 L265 N267 G268 I269 L301 Q304 F305	M259-A263 WeakPolarHBondContact O-CB 3.41Å; M259-A263 PolarHBondContact O-N 3.33Å; A263-L265 PolarHBondContact O-N 3.3Å; A263-N267 PolarHBondContact O-N 3.17Å; A263-N267 VanDerWaalsContact O-N 3.15Å; A263-G268 PolarHBondContact O-N 3.26Å; A263-I269 HydrophobicContact CB-CD1 3.95Å; A263-I269 HydrophobicContact CB-CG1 4.39Å; A263-L301 HydrophobicContact CB-CD1 3.88Å; A263-Q304 HydrophobicContact CB-CB 3.83Å; A263-F305 HydrophobicContact CB-CD1 3.65Å; A263-F305 HydrophobicContact CB-CE1 3.68Å
264	P	95.7	Very high	95.7	Very high	39 Å²	39	20 Å²	20	25%	0.253	10%	0.097	S	C	.	.	H	α-helix	trans	-66.4	-33.2	173.8	-20.1	33.2	0	0	0	113.8	K260 N267 Q304	K260-P264 WeakPolarHBondContact O-CD 3.42Å; P264-N267 PolarHBondContact O-N 2.88Å; P264-N267 PolarHBondContact O-OD1 3.43Å; P264-Q304 HydrophobicContact CG-CB 4.39Å; P264-Q304 HydrophobicContact CG-CG 4.12Å
265	L	96.3	Very high	95.6	Very high	22 Å²	22	24.9 Å²	24.9	12%	0.115	12%	0.122	C	C	.	.	H	α-helix	trans	-74	-35	-179.1	-62.4	174.6	0	0	0	112	K261 V262 A263 N267 H319 L320 Q323 L324	K261-L265 HydrophobicContact CD-CD1 4.47Å; K261-L265 HydrophobicContact CG-CD1 4.36Å; K261-L265 VanDerWaalsContact O-CD1 3.29Å; K261-L265 WeakPolarHBondContact O-CD1 3.02Å; K261-L265 VanDerWaalsContact O-CG 3.25Å; K261-L265 WeakPolarHBondContact O-CG 3.26Å; V262-L265 PolarHBondContact O-N 2.96Å; A263-L265 PolarHBondContact O-N 3.3Å; L265-N267 VanDerWaalsContact C-N 3.29Å; L265-H319 HydrophobicContact CB-CB 4.16Å; L265-H319 HydrophobicContact CD2-CB 4.03Å; L265-L320 HydrophobicContact CB-CD2 4.26Å; L265-Q323 HydrophobicContact CD1-CB 3.69Å; L265-Q323 HydrophobicContact CD1-CG 4.39Å; L265-Q323 HydrophobicContact CD2-CB 3.99Å; L265-Q323 HydrophobicContact CD2-CG 3.74Å; L265-L324 HydrophobicContact CD1-CD1 3.72Å; L265-L324 HydrophobicContact CD1-CG 3.86Å
266	L	96.5	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-80	-7.6	173.7	-77.9	179.3	0	0	0	113.1	V262 G268 I269 W311 S316 L320 M489 F490	V262-L266 HydrophobicContact CG1-CD1 3.59Å; V262-L266 HydrophobicContact CG1-CG 4.04Å; V262-L266 PolarHBondContact O-N 3.15Å; L266-G268 WeakPolarHBondContact CB-O 3.33Å; L266-G268 PolarHBondContact O-N 2.91Å; L266-I269 HydrophobicContact CD1-CG1 4.13Å; L266-W311 PolarHBondContact O-NE1 2.93Å; L266-S316 PolarHBondContact O-OG 3.26Å; L266-L320 HydrophobicContact CD2-CD1 3.65Å; L266-L320 HydrophobicContact CD2-CD2 4.29Å; L266-L320 HydrophobicContact CD2-CG 4.09Å; L266-L320 HydrophobicContact CG-CD1 4.46Å; L266-L320 HydrophobicContact CG-CD2 4.29Å; L266-M489 HydrophobicContact CD2-CB 3.92Å; L266-F490 HydrophobicContact CD1-CB 4.03Å; L266-F490 HydrophobicContact CD1-CD2 3.83Å; L266-F490 HydrophobicContact CD1-CG 4.35Å
267	N	96.2	Very high	95	Very high	63 Å²	63	25.8 Å²	25.8	34%	0.337	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.2	-174.3	-71	-41	0	0	0	113.3	A263 P264 L265 A308	A263-N267 PolarHBondContact O-N 3.17Å; A263-N267 VanDerWaalsContact O-N 3.15Å; P264-N267 PolarHBondContact O-N 2.88Å; P264-N267 PolarHBondContact O-OD1 3.43Å; L265-N267 VanDerWaalsContact C-N 3.29Å; N267-A308 HydrophobicContact CB-CB 4.16Å; N267-A308 PolarHBondContact O-N 3.32Å
268	G	96.1	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.			trans	124.5	153.8	-176.6	0	0	0	0	0	113.5	A263 L266 Q304 N486	A263-G268 PolarHBondContact O-N 3.26Å; L266-G268 WeakPolarHBondContact CB-O 3.33Å; L266-G268 PolarHBondContact O-N 2.91Å; G268-Q304 WeakPolarHBondContact CA-O 3.28Å; G268-N486 PolarHBondContact O-ND2 3.4Å
269	I	97.3	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.			trans	-134.4	102.8	176.1	-60.8	179.5	0	0	0	107.1	M259 V262 A263 L266 L271 L272 D273 F305 F490	M259-I269 HydrophobicContact SD-CD1 4.16Å; V262-I269 HydrophobicContact CG1-CD1 4.38Å; A263-I269 HydrophobicContact CB-CD1 3.95Å; A263-I269 HydrophobicContact CB-CG1 4.39Å; L266-I269 HydrophobicContact CD1-CG1 4.13Å; I269-L271 HydrophobicContact CG2-CB 4.25Å; I269-L271 PolarHBondContact O-N 3.25Å; I269-L271 VanDerWaalsContact O-N 3.16Å; I269-L272 HydrophobicContact CG2-CB 4.43Å; I269-L272 HydrophobicContact CG2-CD1 4.4Å; I269-L272 HydrophobicContact CG2-CG 4.4Å; I269-L272 CarbonylContact O-C 3.57Å; I269-L272 PolarHBondContact O-N 3.38Å; I269-D273 PolarHBondContact O-N 2.84Å; I269-F305 HydrophobicContact CB-CD1 4.07Å; I269-F305 HydrophobicContact CD1-CD1 3.86Å; I269-F305 HydrophobicContact CD1-CE1 3.89Å; I269-F305 HydrophobicContact CG1-CD1 4.17Å; I269-F305 PolarHBondContact N-O 3.39Å; I269-F490 HydrophobicContact CD1-CD2 4Å; I269-F490 HydrophobicContact CD1-CE2 3.66Å; I269-F490 HydrophobicContact CD1-CZ 4.18Å; I269-F490 HydrophobicContact CG1-CD2 4.45Å; I269-F490 HydrophobicContact CG2-CD1 3.92Å; I269-F490 HydrophobicContact CG2-CD2 4.3Å; I269-F490 HydrophobicContact CG2-CE1 3.9Å; I269-F490 HydrophobicContact CG2-CE2 4.3Å; I269-F490 HydrophobicContact CG2-CG 4.13Å; I269-F490 HydrophobicContact CG2-CZ 4.1Å
270	W	96.9	Very high	94.3	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-53.6	-41.4	-174.2	172	84.4	0	0	0	112.6	L272 D273 T280 A282 M307 R388 I391 R483 N486	W270-L272 PolarHBondContact O-N 3.35Å; W270-L272 VanDerWaalsContact O-N 3.12Å; W270-D273 PolarHBondContact O-N 3.46Å; W270-D273 VanDerWaalsContact O-N 3.09Å; W270-T280 VanDerWaalsContact CZ2-O 3.3Å; W270-T280 WeakPolarHBondContact CZ2-O 3.28Å; W270-T280 VanDerWaalsContact NE1-CB 3.35Å; W270-T280 PolarHBondContact NE1-OG1 3.46Å; W270-A282 HydrophobicContact CZ2-CB 4.15Å; W270-M307 HydrophobicContact CB-CG 4.37Å; W270-M307 HydrophobicContact CB-SD 4.38Å; W270-R388 HydrophobicContact CH2-CB 3.99Å; W270-R388 HydrophobicContact CH2-CG 3.93Å; W270-R388 HydrophobicContact CZ2-CG 4.35Å; W270-R388 HydrophobicContact CZ3-CB 4.12Å; W270-R388 HydrophobicContact CZ3-CG 4.41Å; W270-R388 PolarHBondContact O-NH1 3.4Å; W270-I391 HydrophobicContact CH2-CB 3.82Å; W270-I391 HydrophobicContact CH2-CD1 4.2Å; W270-I391 HydrophobicContact CH2-CG2 3.56Å; W270-I391 HydrophobicContact CZ2-CG2 4.24Å; W270-I391 HydrophobicContact CZ3-CB 4.43Å; W270-I391 HydrophobicContact CZ3-CG2 4.13Å; W270-R483 HydrophobicContact CB-CG 4.32Å; W270-R483 HydrophobicContact CD2-CG 3.49Å; W270-R483 VanDerWaalsContact CD2-CG 3.49Å; W270-R483 VanDerWaalsContact CE2-CD 3.4Å; W270-R483 HydrophobicContact CE3-CG 3.92Å; W270-R483 HydrophobicContact CG-CB 4.41Å; W270-R483 HydrophobicContact CG-CG 3.65Å; W270-R483 HydrophobicContact CZ2-CG 4.31Å; W270-R483 HydrophobicContact CZ3-CG 4.48Å; W270-N486 PolarHBondContact N-OD1 3.02Å
271	L	96.7	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.4	-35.4	179.4	-177.4	61.9	0	0	0	112.6	I269 L369 L372 Y385 R388 F392 F490	I269-L271 HydrophobicContact CG2-CB 4.25Å; I269-L271 PolarHBondContact O-N 3.25Å; I269-L271 VanDerWaalsContact O-N 3.16Å; L271-L369 HydrophobicContact CD2-CD1 4.14Å; L271-L369 HydrophobicContact CD2-CD2 3.63Å; L271-L369 HydrophobicContact CD2-CG 4.31Å; L271-L372 HydrophobicContact CD2-CD2 4.32Å; L271-Y385 HydrophobicContact CD1-CE2 3.95Å; L271-Y385 WeakPolarHBondContact CD2-OH 3.33Å; L271-Y385 HydrophobicContact CG-CE2 3.92Å; L271-R388 HydrophobicContact CD1-CB 3.72Å; L271-R388 WeakPolarHBondContact O-CD 3.31Å; L271-R388 PolarHBondContact O-NH1 2.93Å; L271-F392 HydrophobicContact CB-CD2 4.36Å; L271-F392 HydrophobicContact CD2-CD2 4.22Å; L271-F392 HydrophobicContact CD2-CE2 4.44Å; L271-F490 HydrophobicContact CD2-CE1 4.16Å
272	L	96.1	Very high	93.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-106	2.7	-177.8	-63.4	172.3	0	0	0	113.4	M259 I269 W270 R274 L295 F296 F305 A376 I378 Y385	M259-L272 HydrophobicContact SD-CD1 4.31Å; I269-L272 HydrophobicContact CG2-CB 4.43Å; I269-L272 HydrophobicContact CG2-CD1 4.4Å; I269-L272 HydrophobicContact CG2-CG 4.4Å; I269-L272 CarbonylContact O-C 3.57Å; I269-L272 PolarHBondContact O-N 3.38Å; W270-L272 PolarHBondContact O-N 3.35Å; W270-L272 VanDerWaalsContact O-N 3.12Å; L272-R274 PolarHBondContact O-N 2.98Å; L272-L295 HydrophobicContact CB-CD1 4.38Å; L272-F296 HydrophobicContact CD1-CE2 4.03Å; L272-F305 HydrophobicContact CB-CB 4.11Å; L272-F305 HydrophobicContact CB-CD1 4.13Å; L272-F305 HydrophobicContact CB-CD2 4.06Å; L272-F305 HydrophobicContact CB-CG 3.86Å; L272-F305 HydrophobicContact CD1-CD1 4.05Å; L272-F305 HydrophobicContact CD1-CE1 3.71Å; L272-F305 HydrophobicContact CD1-CE2 4.22Å; L272-F305 HydrophobicContact CD1-CG 4.44Å; L272-F305 HydrophobicContact CD1-CZ 3.81Å; L272-A376 HydrophobicContact CD2-CB 4.19Å; L272-I378 HydrophobicContact CD2-CD1 4.09Å; L272-Y385 HydrophobicContact CD2-CE2 4Å
273	D	95.1	Very high	93	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.043	18%	0.175	C	C	.	.			trans	-76.1	108.5	-178.8	-174	-10	0	0	0	111.2	I269 W270 N275 A276 Y306 M307 R388	I269-D273 PolarHBondContact O-N 2.84Å; W270-D273 PolarHBondContact O-N 3.46Å; W270-D273 VanDerWaalsContact O-N 3.09Å; D273-N275 PolarHBondContact O-N 3.43Å; D273-N275 WeakPolarHBondContact OD1-CA 3.16Å; D273-N275 WeakPolarHBondContact OD1-CB 3.41Å; D273-N275 PolarHBondContact OD1-N 3.26Å; D273-A276 HydrophobicContact CB-CB 4.01Å; D273-A276 WeakPolarHBondContact O-CB 3.1Å; D273-A276 PolarHBondContact O-N 2.98Å; D273-A276 PolarHBondContact OD1-N 3.23Å; D273-Y306 WeakPolarHBondContact OD1-CD1 3.44Å; D273-M307 PolarHBondContact OD2-N 2.85Å; D273-R388 PolarHBondContact O-NH1 3.25Å; D273-R388 PolarHBondContact O-NH2 3.41Å
274	R	92.5	Very high	92.2	Very high	54 Å²	54	36.9 Å²	36.9	20%	0.204	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.9	178.2	-64.1	174.6	64.5	-137.8	-3.7	113.3	L272 W291 Y306	L272-R274 PolarHBondContact O-N 2.98Å; R274-W291 HydrophobicContact CG-CE3 3.73Å; R274-W291 HydrophobicContact CG-CZ3 4.26Å; R274-Y306 HydrophobicContact CB-CE1 4.07Å
275	N	90.7	Very high	91.5	Very high	111 Å²	111	38.1 Å²	38.1	59%	0.594	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	2.3	-178.5	-65.6	-19.9	0	0	0	113	D273 S277	D273-N275 PolarHBondContact O-N 3.43Å; D273-N275 WeakPolarHBondContact OD1-CA 3.16Å; D273-N275 WeakPolarHBondContact OD1-CB 3.41Å; D273-N275 PolarHBondContact OD1-N 3.26Å; N275-S277 PolarHBondContact O-N 3.38Å
276	A	92	Very high	90.9	Very high	10 Å²	10	42 Å²	42	8%	0.083	23%	0.227	C	C	.	.			trans	-56.3	133	177.7	0	0	0	0	0	111.1	D273 A282	D273-A276 HydrophobicContact CB-CB 4.01Å; D273-A276 WeakPolarHBondContact O-CB 3.1Å; D273-A276 PolarHBondContact O-N 2.98Å; D273-A276 PolarHBondContact OD1-N 3.23Å; A276-A282 HydrophobicContact CB-CB 3.41Å; A276-A282 VanDerWaalsContact CB-CB 3.41Å
277	S	87.5	Confident	90.4	Very high	47 Å²	47	45.2 Å²	45.2	33%	0.329	24%	0.242	S	C	.	.			trans	-80.3	160	-174.1	66.4	0	0	0	0	112.5	N275 E279 T280 A282	N275-S277 PolarHBondContact O-N 3.38Å; S277-E279 PolarHBondContact O-N 3Å; S277-T280 PolarHBondContact O-N 3.4Å; S277-T280 PolarHBondContact O-OG1 2.82Å; S277-A282 PolarHBondContact O-N 3.16Å
278	N	89.7	Confident	90	Very high	129 Å²	129	42.9 Å²	42.9	69%	0.69	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-56.8	-29.8	169.7	61.3	-12.1	0	0	0	113.8	T280 G281 A282	N278-T280 PolarHBondContact O-N 2.94Å; N278-G281 PolarHBondContact O-N 2.98Å; N278-A282 WeakPolarHBondContact CA-O 3.4Å; N278-A282 PolarHBondContact N-O 3.24Å
279	E	89.4	Confident	89.5	Confident	108 Å²	108	47.3 Å²	47.3	51%	0.505	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.1	-36.6	174.1	-165.6	-170.1	155.7	0	0	112	S277 G281 S479 V480	S277-E279 PolarHBondContact O-N 3Å; E279-G281 PolarHBondContact O-N 2.66Å; E279-S479 WeakPolarHBondContact CG-OG 3.5Å; E279-S479 PolarHBondContact OE1-OG 3.38Å; E279-V480 WeakPolarHBondContact O-CG2 3.3Å
280	T	91.3	Very high	89.2	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.08	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-83.4	6.6	176.4	66.9	0	0	0	0	113.3	W270 S277 N278 A282 R483	W270-T280 VanDerWaalsContact CZ2-O 3.3Å; W270-T280 WeakPolarHBondContact CZ2-O 3.28Å; W270-T280 VanDerWaalsContact NE1-CB 3.35Å; W270-T280 PolarHBondContact NE1-OG1 3.46Å; S277-T280 PolarHBondContact O-N 3.4Å; S277-T280 PolarHBondContact O-OG1 2.82Å; N278-T280 PolarHBondContact O-N 2.94Å; T280-A282 VanDerWaalsContact C-N 3.28Å; T280-R483 WeakPolarHBondContact O-CD 3.34Å; T280-R483 PolarHBondContact O-NH1 2.98Å
281	G	88.5	Confident	89	Confident	14 Å²	14	50.2 Å²	50.2	14%	0.144	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	11.1	-174.7	0	0	0	0	0	114.5	N278 E279 I284 I391	N278-G281 PolarHBondContact O-N 2.98Å; E279-G281 PolarHBondContact O-N 2.66Å; G281-I284 WeakPolarHBondContact O-CD1 3.42Å; G281-I284 WeakPolarHBondContact O-CG1 3.46Å; G281-I391 WeakPolarHBondContact O-CD1 3.35Å
282	A	89.5	Confident	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.296	C	S	.	.			trans	-92.5	168.2	173.5	0	0	0	0	0	111.7	W270 A276 S277 N278 T280 I284	W270-A282 HydrophobicContact CZ2-CB 4.15Å; A276-A282 HydrophobicContact CB-CB 3.41Å; A276-A282 VanDerWaalsContact CB-CB 3.41Å; S277-A282 PolarHBondContact O-N 3.16Å; N278-A282 WeakPolarHBondContact CA-O 3.4Å; N278-A282 PolarHBondContact N-O 3.24Å; T280-A282 VanDerWaalsContact C-N 3.28Å; A282-I284 PolarHBondContact O-N 2.92Å; A282-I284 VanDerWaalsContact O-N 3.1Å
283	N	83.4	Confident	88.7	Confident	52 Å²	52	60.3 Å²	60.3	28%	0.278	33%	0.332	S	S	.	.	S	Bend	trans	56.3	26	177	-150.4	49.7	0	0	0	114.4	V285 N286 T288 E384	N283-V285 VanDerWaalsContact C-N 3.3Å; N283-V285 PolarHBondContact O-N 2.91Å; N283-N286 PolarHBondContact ND2-OD1 3.01Å; N283-N286 PolarHBondContact O-N 3.25Å; N283-N286 WeakPolarHBondContact OD1-CA 3.31Å; N283-N286 PolarHBondContact OD1-OD1 3.44Å; N283-T288 PolarHBondContact OD1-OG1 2.97Å; N283-E384 WeakPolarHBondContact CA-OE1 3.46Å; N283-E384 VanDerWaalsContact CA-OE2 3.25Å; N283-E384 WeakPolarHBondContact CA-OE2 3.44Å; N283-E384 VanDerWaalsContact N-CD 3.33Å; N283-E384 PolarHBondContact N-OE1 3.44Å; N283-E384 PolarHBondContact N-OE2 3.5Å
284	I	79.2	Confident	88.6	Confident	101 Å²	101	67.4 Å²	67.4	52%	0.518	36%	0.358	S	S	.	.	S	Bend	trans	-65.3	-38.6	-179.8	-63.9	174.6	0	0	0	110	G281 A282 E384 E387 I391	G281-I284 WeakPolarHBondContact O-CD1 3.42Å; G281-I284 WeakPolarHBondContact O-CG1 3.46Å; A282-I284 PolarHBondContact O-N 2.92Å; A282-I284 VanDerWaalsContact O-N 3.1Å; I284-E384 PolarHBondContact N-OE2 3.32Å; I284-E387 HydrophobicContact CD1-CG 4.05Å; I284-I391 HydrophobicContact CD1-CD1 4.47Å
285	V	81.6	Confident	88.6	Confident	64 Å²	64	64.8 Å²	64.8	39%	0.388	35%	0.349	S	S	.	.	S	Bend	trans	-99.9	-4.7	-178.8	-158.6	0	0	0	0	111.8	N283 Q287 E383 E384	N283-V285 VanDerWaalsContact C-N 3.3Å; N283-V285 PolarHBondContact O-N 2.91Å; V285-Q287 VanDerWaalsContact C-N 3.3Å; V285-Q287 HydrophobicContact CB-CG 4.26Å; V285-Q287 HydrophobicContact CG1-CG 3.99Å; V285-Q287 WeakPolarHBondContact O-CG 3.46Å; V285-Q287 PolarHBondContact O-N 3.2Å; V285-E383 HydrophobicContact CG1-CB 4.27Å; V285-E383 HydrophobicContact CG2-CB 4.47Å; V285-E384 PolarHBondContact N-OE2 3.42Å
286	N	82	Confident	88.8	Confident	105 Å²	105	59.7 Å²	59.7	56%	0.561	32%	0.321	S	S	*	.			trans	55.3	35.8	179.8	-156.8	25.5	0	0	0	114.9	N283	N283-N286 PolarHBondContact ND2-OD1 3.01Å; N283-N286 PolarHBondContact O-N 3.25Å; N283-N286 WeakPolarHBondContact OD1-CA 3.31Å; N283-N286 PolarHBondContact OD1-OD1 3.44Å
287	Q	86	Confident	88.8	Confident	66 Å²	66	68.4 Å²	68.4	31%	0.308	35%	0.352	S	S	.	.			trans	-103.6	8.6	-177.7	-61.1	-173	0.4	0	0	114.6	V285 S289 A290 E384	V285-Q287 VanDerWaalsContact C-N 3.3Å; V285-Q287 HydrophobicContact CB-CG 4.26Å; V285-Q287 HydrophobicContact CG1-CG 3.99Å; V285-Q287 WeakPolarHBondContact O-CG 3.46Å; V285-Q287 PolarHBondContact O-N 3.2Å; Q287-S289 PolarHBondContact O-N 2.74Å; Q287-A290 WeakPolarHBondContact O-CB 3.41Å; Q287-A290 PolarHBondContact O-N 3.06Å; Q287-A290 VanDerWaalsContact O-N 3.08Å; Q287-E384 HydrophobicContact CB-CB 3.9Å
288	T	87.9	Confident	89.1	Confident	14 Å²	14	67.7 Å²	67.7	9%	0.086	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-64.5	-19.4	173.8	57.9	0	0	0	0	112.6	N283 A290 W291 E384	N283-T288 PolarHBondContact OD1-OG1 2.97Å; T288-A290 PolarHBondContact O-N 3.39Å; T288-W291 HydrophobicContact CG2-CZ2 4.36Å; T288-W291 WeakPolarHBondContact O-CB 3.46Å; T288-W291 PolarHBondContact O-N 3.08Å; T288-E384 HydrophobicContact CG2-CG 3.79Å
289	S	86.7	Confident	89.3	Confident	94 Å²	94	64 Å²	64	66%	0.657	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-64.4	-26.7	172.4	59.8	0	0	0	0	113.1	Q287 W291	Q287-S289 PolarHBondContact O-N 2.74Å; S289-W291 VanDerWaalsContact C-N 3.33Å
290	A	90.1	Very high	89.5	Confident	58 Å²	58	65.1 Å²	65.1	48%	0.479	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-81.4	-12.9	175.5	0	0	0	0	0	113	Q287 T288	Q287-A290 WeakPolarHBondContact O-CB 3.41Å; Q287-A290 PolarHBondContact O-N 3.06Å; Q287-A290 VanDerWaalsContact O-N 3.08Å; T288-A290 PolarHBondContact O-N 3.39Å
291	W	93.9	Very high	89.7	Confident	5 Å²	5	64.6 Å²	64.6	2%	0.019	33%	0.326	C	S	.	.	S	Bend	trans	-71.1	147.7	176.2	-62	8	0	0	0	110.2	R274 T288 S289 K293 L295 I378 N382 E384 Y385 R388	R274-W291 HydrophobicContact CG-CE3 3.73Å; R274-W291 HydrophobicContact CG-CZ3 4.26Å; T288-W291 HydrophobicContact CG2-CZ2 4.36Å; T288-W291 WeakPolarHBondContact O-CB 3.46Å; T288-W291 PolarHBondContact O-N 3.08Å; S289-W291 VanDerWaalsContact C-N 3.33Å; W291-K293 PolarHBondContact O-N 3.12Å; W291-L295 HydrophobicContact CB-CD2 4.46Å; W291-L295 HydrophobicContact CE3-CD1 4.46Å; W291-I378 HydrophobicContact CD2-CD1 3.92Å; W291-I378 HydrophobicContact CD2-CG1 4.13Å; W291-I378 HydrophobicContact CE3-CD1 3.97Å; W291-I378 HydrophobicContact CE3-CG1 4.46Å; W291-I378 HydrophobicContact CG-CD1 4.49Å; W291-I378 HydrophobicContact CG-CG1 4.18Å; W291-I378 HydrophobicContact CG-CG2 4.46Å; W291-I378 HydrophobicContact CH2-CD1 4.24Å; W291-I378 HydrophobicContact CZ2-CD1 4.19Å; W291-I378 HydrophobicContact CZ3-CD1 4.14Å; W291-N382 PolarHBondContact NE1-OD1 3.45Å; W291-E384 HydrophobicContact CZ2-CG 4Å; W291-Y385 AromaticContact CH2-CD2 3.87Å; W291-Y385 HydrophobicContact CH2-CD2 3.87Å; W291-Y385 AromaticContact CZ2-CD2 3.73Å; W291-Y385 HydrophobicContact CZ2-CD2 3.73Å; W291-Y385 HydrophobicContact CZ2-CG 4.43Å; W291-R388 VanDerWaalsContact CH2-CZ 3.49Å
292	P	93.3	Very high	90	Very high	39 Å²	39	64.1 Å²	64.1	25%	0.253	32%	0.32	S	S	.	.			trans	-54.2	139.1	175	-24.3	31.8	0	0	0	111.9	R294 L295 G377	P292-R294 PolarHBondContact O-N 3.31Å; P292-R294 VanDerWaalsContact O-N 3.17Å; P292-L295 HydrophobicContact CB-CD2 4.4Å; P292-L295 HydrophobicContact CG-CD2 4.36Å; P292-G377 VanDerWaalsContact CD-O 3.27Å; P292-G377 WeakPolarHBondContact CD-O 3.45Å; P292-G377 WeakPolarHBondContact CG-O 3.3Å
293	K	91.8	Very high	90.2	Very high	174 Å²	174	69.8 Å²	69.8	76%	0.757	35%	0.347	S	S	*	.	S	Bend	trans	-63.4	-18.4	170.2	-67	-175.8	-179.7	179.3	0	112.6	W291	W291-K293 PolarHBondContact O-N 3.12Å
294	R	93.2	Very high	90.8	Very high	157 Å²	157	69.8 Å²	69.8	59%	0.592	35%	0.345	S	S	*	.	S	Bend	trans	-126.4	83.9	178.3	-55.7	-175	-179.3	165.2	3.2	108.1	P292 W297 S299 T302	P292-R294 PolarHBondContact O-N 3.31Å; P292-R294 VanDerWaalsContact O-N 3.17Å; R294-W297 WeakPolarHBondContact O-CA 3.46Å; R294-W297 PolarHBondContact O-N 3.42Å; R294-W297 VanDerWaalsContact O-N 3.07Å; R294-S299 VanDerWaalsContact CD-OG 3.32Å; R294-S299 WeakPolarHBondContact CD-OG 3.39Å; R294-S299 WeakPolarHBondContact CG-OG 3.42Å; R294-S299 PolarHBondContact NE-OG 3.03Å; R294-S299 VanDerWaalsContact NE-OG 3.15Å; R294-T302 WeakPolarHBondContact CA-OG1 3.42Å
295	L	94	Very high	91.7	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-61.3	137.4	171.7	-65	177.6	0	0	0	108.7	L272 W291 P292 W297 D298 T302 F305 A376 I378	L272-L295 HydrophobicContact CB-CD1 4.38Å; W291-L295 HydrophobicContact CB-CD2 4.46Å; W291-L295 HydrophobicContact CE3-CD1 4.46Å; P292-L295 HydrophobicContact CB-CD2 4.4Å; P292-L295 HydrophobicContact CG-CD2 4.36Å; L295-W297 PolarHBondContact O-N 2.92Å; L295-W297 VanDerWaalsContact O-N 3.12Å; L295-D298 PolarHBondContact O-N 3.35Å; L295-D298 VanDerWaalsContact O-N 3.15Å; L295-T302 HydrophobicContact CD1-CG2 4.47Å; L295-T302 HydrophobicContact CG-CG2 4.33Å; L295-T302 PolarHBondContact N-OG1 3.39Å; L295-F305 HydrophobicContact CB-CD2 4.4Å; L295-F305 HydrophobicContact CB-CE2 3.91Å; L295-F305 HydrophobicContact CD1-CD2 3.88Å; L295-F305 HydrophobicContact CD1-CE2 4.11Å; L295-A376 WeakPolarHBondContact CA-O 2.87Å; L295-A376 HydrophobicContact CD2-CB 4.18Å; L295-A376 VanDerWaalsContact CD2-O 3.29Å; L295-A376 WeakPolarHBondContact CD2-O 3.44Å; L295-I378 HydrophobicContact CD2-CD1 4.5Å; L295-I378 HydrophobicContact CD2-CG1 4.01Å
296	F	94.8	Very high	92.3	Very high	3 Å²	3	65.2 Å²	65.2	1%	0.013	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	51.4	29.7	-170.8	-53.6	-93.5	0	0	0	113.8	A255 H256 M259 L272 D298 L301 F305 L372 D375 A376	A255-F296 HydrophobicContact CB-CE1 4.07Å; H256-F296 HydrophobicContact CB-CB 4.21Å; H256-F296 HydrophobicContact CB-CD1 4.02Å; H256-F296 HydrophobicContact CB-CG 4.46Å; H256-F296 PolarHBondContact CD2-O 3.49Å; M259-F296 HydrophobicContact CB-CE2 4.36Å; M259-F296 HydrophobicContact CB-CZ 4.48Å; M259-F296 HydrophobicContact CG-CD2 4.46Å; M259-F296 HydrophobicContact CG-CE1 4.03Å; M259-F296 HydrophobicContact CG-CE2 3.8Å; M259-F296 HydrophobicContact CG-CZ 3.56Å; L272-F296 HydrophobicContact CD1-CE2 4.03Å; F296-D298 PolarHBondContact O-N 3.47Å; F296-L301 HydrophobicContact CB-CD2 4.18Å; F296-L301 HydrophobicContact CD2-CD2 4.22Å; F296-L301 HydrophobicContact CG-CD2 4.39Å; F296-F305 AromaticContact CD2-CE2 3.97Å; F296-F305 HydrophobicContact CD2-CE2 3.97Å; F296-F305 AromaticContact CD2-CZ 3.8Å; F296-F305 HydrophobicContact CD2-CZ 3.8Å; F296-F305 HydrophobicContact CE2-CE2 4.07Å; F296-F305 AromaticContact CE2-CZ 3.69Å; F296-F305 HydrophobicContact CE2-CZ 3.69Å; F296-L372 HydrophobicContact CE1-CD1 4.27Å; F296-L372 HydrophobicContact CZ-CD1 3.75Å; F296-L372 HydrophobicContact CZ-CG 4.43Å; F296-D375 HydrophobicContact CD1-CB 4.09Å; F296-D375 VanDerWaalsContact CD1-O 3.3Å; F296-D375 WeakPolarHBondContact CD1-O 3.45Å; F296-D375 HydrophobicContact CE1-CB 3.55Å; F296-D375 HydrophobicContact CZ-CB 4.46Å; F296-A376 HydrophobicContact CD2-CB 4.05Å; F296-A376 HydrophobicContact CE1-CB 4.29Å; F296-A376 HydrophobicContact CE2-CB 3.51Å; F296-A376 HydrophobicContact CZ-CB 3.63Å; F296-A376 PolarHBondContact N-O 3.28Å
297	W	92.1	Very high	92.9	Very high	193 Å²	193	62.3 Å²	62.3	73%	0.731	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	59.7	12.1	-177.8	-45.6	-81.7	0	0	0	115.5	R294 L295	R294-W297 WeakPolarHBondContact O-CA 3.46Å; R294-W297 PolarHBondContact O-N 3.42Å; R294-W297 VanDerWaalsContact O-N 3.07Å; L295-W297 PolarHBondContact O-N 2.92Å; L295-W297 VanDerWaalsContact O-N 3.12Å
298	D	93.8	Very high	93.3	Very high	33 Å²	33	61.2 Å²	61.2	18%	0.176	30%	0.301	C	S	.	.			trans	-118.6	116.2	-177.6	-174.5	-22.3	0	0	0	111.2	H256 L295 F296 Y300 L301 T302	H256-D298 IonicContact NE2-OD2 3.88Å; L295-D298 PolarHBondContact O-N 3.35Å; L295-D298 VanDerWaalsContact O-N 3.15Å; F296-D298 PolarHBondContact O-N 3.47Å; D298-Y300 WeakPolarHBondContact OD1-CA 3.41Å; D298-Y300 WeakPolarHBondContact OD1-CB 3.42Å; D298-Y300 PolarHBondContact OD1-N 2.72Å; D298-L301 HydrophobicContact CB-CB 3.73Å; D298-L301 HydrophobicContact CB-CD2 4.49Å; D298-L301 PolarHBondContact OD1-N 2.94Å; D298-T302 PolarHBondContact O-N 2.98Å; D298-T302 PolarHBondContact O-OG1 3.28Å
299	S	92.8	Very high	93.3	Very high	52 Å²	52	70.2 Å²	70.2	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-71.5	-35.4	-178.8	-53.1	0	0	0	0	112.4	R294 Q303	R294-S299 VanDerWaalsContact CD-OG 3.32Å; R294-S299 WeakPolarHBondContact CD-OG 3.39Å; R294-S299 WeakPolarHBondContact CG-OG 3.42Å; R294-S299 PolarHBondContact NE-OG 3.03Å; R294-S299 VanDerWaalsContact NE-OG 3.15Å; S299-Q303 WeakPolarHBondContact O-CG 3.33Å; S299-Q303 PolarHBondContact O-N 2.92Å
300	Y	93.5	Very high	93.4	Very high	130 Å²	130	72.8 Å²	72.8	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-68.4	-47.3	178	170	-99.9	0	0	0	109.4	D298 T302 Q303 Q304	D298-Y300 WeakPolarHBondContact OD1-CA 3.41Å; D298-Y300 WeakPolarHBondContact OD1-CB 3.42Å; D298-Y300 PolarHBondContact OD1-N 2.72Å; Y300-T302 VanDerWaalsContact C-N 3.29Å; Y300-T302 PolarHBondContact O-N 3.45Å; Y300-Q303 WeakPolarHBondContact O-CB 3.43Å; Y300-Q303 PolarHBondContact O-N 3.4Å; Y300-Q304 HydrophobicContact CD1-CG 4.31Å; Y300-Q304 HydrophobicContact CE1-CG 3.92Å; Y300-Q304 WeakPolarHBondContact O-CG 3.2Å; Y300-Q304 PolarHBondContact O-N 3.05Å
301	L	95	Very high	93.6	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-41.7	176.1	-180	51.7	0	0	0	112	M259 K260 A263 F296 D298 Q303 Q304 F305	M259-L301 HydrophobicContact CB-CD1 4.33Å; M259-L301 HydrophobicContact CB-CD2 3.94Å; M259-L301 WeakPolarHBondContact O-CD1 3.34Å; K260-L301 HydrophobicContact CB-CD2 4.45Å; A263-L301 HydrophobicContact CB-CD1 3.88Å; F296-L301 HydrophobicContact CB-CD2 4.18Å; F296-L301 HydrophobicContact CD2-CD2 4.22Å; F296-L301 HydrophobicContact CG-CD2 4.39Å; D298-L301 HydrophobicContact CB-CB 3.73Å; D298-L301 HydrophobicContact CB-CD2 4.49Å; D298-L301 PolarHBondContact OD1-N 2.94Å; L301-Q303 PolarHBondContact O-N 3.22Å; L301-Q304 WeakPolarHBondContact O-CB 3.41Å; L301-Q304 PolarHBondContact O-N 3.02Å; L301-F305 HydrophobicContact CD1-CE1 3.87Å; L301-F305 HydrophobicContact CD1-CE2 4.31Å; L301-F305 HydrophobicContact CD1-CZ 3.69Å; L301-F305 HydrophobicContact CD2-CZ 4.04Å; L301-F305 HydrophobicContact CG-CE1 4.25Å; L301-F305 HydrophobicContact CG-CE2 3.85Å; L301-F305 HydrophobicContact CG-CZ 3.55Å; L301-F305 PolarHBondContact O-N 2.88Å
302	T	95.2	Very high	93.6	Very high	4 Å²	4	72 Å²	72	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-56.6	-37.1	176.5	-56.3	0	0	0	0	112.3	R294 L295 D298 Y300 F305	R294-T302 WeakPolarHBondContact CA-OG1 3.42Å; L295-T302 HydrophobicContact CD1-CG2 4.47Å; L295-T302 HydrophobicContact CG-CG2 4.33Å; L295-T302 PolarHBondContact N-OG1 3.39Å; D298-T302 PolarHBondContact O-N 2.98Å; D298-T302 PolarHBondContact O-OG1 3.28Å; Y300-T302 VanDerWaalsContact C-N 3.29Å; Y300-T302 PolarHBondContact O-N 3.45Å; T302-F305 PolarHBondContact O-N 3.33Å
303	Q	94.9	Very high	93.7	Very high	120 Å²	120	71.1 Å²	71.1	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-71.4	-30.3	176.5	-66.4	173.3	-2.7	0	0	112.6	S299 Y300 L301 F305 Y306	S299-Q303 WeakPolarHBondContact O-CG 3.33Å; S299-Q303 PolarHBondContact O-N 2.92Å; Y300-Q303 WeakPolarHBondContact O-CB 3.43Å; Y300-Q303 PolarHBondContact O-N 3.4Å; L301-Q303 PolarHBondContact O-N 3.22Å; Q303-F305 PolarHBondContact O-N 3.07Å; Q303-Y306 PolarHBondContact O-N 3.26Å
304	Q	96.1	Very high	93.8	Very high	51 Å²	51	63.7 Å²	63.7	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-72	-14.3	177.7	-57.9	-57.4	-55.9	0	0	112.9	A263 P264 G268 Y300 L301 Y306	A263-Q304 HydrophobicContact CB-CB 3.83Å; P264-Q304 HydrophobicContact CG-CB 4.39Å; P264-Q304 HydrophobicContact CG-CG 4.12Å; G268-Q304 WeakPolarHBondContact CA-O 3.28Å; Y300-Q304 HydrophobicContact CD1-CG 4.31Å; Y300-Q304 HydrophobicContact CE1-CG 3.92Å; Y300-Q304 WeakPolarHBondContact O-CG 3.2Å; Y300-Q304 PolarHBondContact O-N 3.05Å; L301-Q304 WeakPolarHBondContact O-CB 3.41Å; L301-Q304 PolarHBondContact O-N 3.02Å; Q304-Y306 VanDerWaalsContact C-N 3.33Å
305	F	96.5	Very high	93.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.6	175	-62	-46.6	0	0	0	113.5	M259 A263 I269 L272 L295 F296 L301 T302 Q303 M307	M259-F305 HydrophobicContact CB-CE1 4.17Å; M259-F305 HydrophobicContact CB-CZ 4.06Å; M259-F305 HydrophobicContact CG-CZ 4.4Å; M259-F305 HydrophobicContact SD-CE1 4.42Å; A263-F305 HydrophobicContact CB-CD1 3.65Å; A263-F305 HydrophobicContact CB-CE1 3.68Å; I269-F305 HydrophobicContact CB-CD1 4.07Å; I269-F305 HydrophobicContact CD1-CD1 3.86Å; I269-F305 HydrophobicContact CD1-CE1 3.89Å; I269-F305 HydrophobicContact CG1-CD1 4.17Å; I269-F305 PolarHBondContact N-O 3.39Å; L272-F305 HydrophobicContact CB-CB 4.11Å; L272-F305 HydrophobicContact CB-CD1 4.13Å; L272-F305 HydrophobicContact CB-CD2 4.06Å; L272-F305 HydrophobicContact CB-CG 3.86Å; L272-F305 HydrophobicContact CD1-CD1 4.05Å; L272-F305 HydrophobicContact CD1-CE1 3.71Å; L272-F305 HydrophobicContact CD1-CE2 4.22Å; L272-F305 HydrophobicContact CD1-CG 4.44Å; L272-F305 HydrophobicContact CD1-CZ 3.81Å; L295-F305 HydrophobicContact CB-CD2 4.4Å; L295-F305 HydrophobicContact CB-CE2 3.91Å; L295-F305 HydrophobicContact CD1-CD2 3.88Å; L295-F305 HydrophobicContact CD1-CE2 4.11Å; F296-F305 AromaticContact CD2-CE2 3.97Å; F296-F305 HydrophobicContact CD2-CE2 3.97Å; F296-F305 AromaticContact CD2-CZ 3.8Å; F296-F305 HydrophobicContact CD2-CZ 3.8Å; F296-F305 HydrophobicContact CE2-CE2 4.07Å; F296-F305 AromaticContact CE2-CZ 3.69Å; F296-F305 HydrophobicContact CE2-CZ 3.69Å; L301-F305 HydrophobicContact CD1-CE1 3.87Å; L301-F305 HydrophobicContact CD1-CE2 4.31Å; L301-F305 HydrophobicContact CD1-CZ 3.69Å; L301-F305 HydrophobicContact CD2-CZ 4.04Å; L301-F305 HydrophobicContact CG-CE1 4.25Å; L301-F305 HydrophobicContact CG-CE2 3.85Å; L301-F305 HydrophobicContact CG-CZ 3.55Å; L301-F305 PolarHBondContact O-N 2.88Å; T302-F305 PolarHBondContact O-N 3.33Å; Q303-F305 PolarHBondContact O-N 3.07Å; F305-M307 PolarHBondContact O-N 3.32Å
306	Y	95.1	Very high	93.9	Very high	69 Å²	69	59.5 Å²	59.5	27%	0.271	28%	0.284	S	S	.	.	S	Bend	trans	-69	126.7	179.4	-56.8	-24.2	0	0	0	110.8	D273 R274 Q303 Q304 A308	D273-Y306 WeakPolarHBondContact OD1-CD1 3.44Å; R274-Y306 HydrophobicContact CB-CE1 4.07Å; Q303-Y306 PolarHBondContact O-N 3.26Å; Q304-Y306 VanDerWaalsContact C-N 3.33Å; Y306-A308 PolarHBondContact O-N 3.16Å
307	M	94.7	Very high	93.9	Very high	44 Å²	44	59.4 Å²	59.4	22%	0.217	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-60.6	124.8	178.4	-71.9	-69.4	-67.4	0	0	110.6	W270 D273 F305 W311 N486	W270-M307 HydrophobicContact CB-CG 4.37Å; W270-M307 HydrophobicContact CB-SD 4.38Å; D273-M307 PolarHBondContact OD2-N 2.85Å; F305-M307 PolarHBondContact O-N 3.32Å; M307-W311 HydrophobicContact CE-CB 4.32Å; M307-W311 HydrophobicContact CE-CD2 3.81Å; M307-W311 HydrophobicContact CE-CE3 4.41Å; M307-W311 HydrophobicContact CE-CG 3.74Å; M307-N486 HydrophobicContact CE-CB 4.08Å; M307-N486 HydrophobicContact SD-CB 4.32Å
308	A	93.3	Very high	94.1	Very high	43 Å²	43	52 Å²	52	36%	0.355	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62	141.9	177.2	0	0	0	0	0	111.4	N267 Y306 N310 W311	N267-A308 HydrophobicContact CB-CB 4.16Å; N267-A308 PolarHBondContact O-N 3.32Å; Y306-A308 PolarHBondContact O-N 3.16Å; A308-N310 VanDerWaalsContact C-N 3.26Å; A308-N310 PolarHBondContact O-N 3.02Å; A308-W311 HydrophobicContact CB-CB 4.43Å; A308-W311 VanDerWaalsContact O-CB 3.29Å; A308-W311 WeakPolarHBondContact O-CB 3.36Å; A308-W311 PolarHBondContact O-N 3.28Å; A308-W311 VanDerWaalsContact O-N 3.14Å
309	K	89.1	Confident	94.2	Very high	203 Å²	203	54.3 Å²	54.3	88%	0.883	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.1	-179.7	-69.2	-174.5	178.1	-177.7	0	113.7
310	N	89.4	Confident	94.2	Very high	148 Å²	148	51.9 Å²	51.9	79%	0.791	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	43.3	176.8	-66.1	-11.1	0	0	0	110	A308	A308-N310 VanDerWaalsContact C-N 3.26Å; A308-N310 PolarHBondContact O-N 3.02Å
311	W	94.2	Very high	94.1	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.045	23%	0.226	C	C	.	.			trans	-58.7	141.2	178.3	-171.2	87.3	0	0	0	111	L266 M307 A308 W313 D482 M485 N486 M489	L266-W311 PolarHBondContact O-NE1 2.93Å; M307-W311 HydrophobicContact CE-CB 4.32Å; M307-W311 HydrophobicContact CE-CD2 3.81Å; M307-W311 HydrophobicContact CE-CE3 4.41Å; M307-W311 HydrophobicContact CE-CG 3.74Å; A308-W311 HydrophobicContact CB-CB 4.43Å; A308-W311 VanDerWaalsContact O-CB 3.29Å; A308-W311 WeakPolarHBondContact O-CB 3.36Å; A308-W311 PolarHBondContact O-N 3.28Å; A308-W311 VanDerWaalsContact O-N 3.14Å; W311-W313 HydrophobicContact CH2-CB 3.53Å; W311-W313 HydrophobicContact CZ2-CB 4.43Å; W311-W313 HydrophobicContact CZ3-CB 3.58Å; W311-D482 HydrophobicContact CE3-CB 3.75Å; W311-D482 HydrophobicContact CZ3-CB 3.94Å; W311-M485 HydrophobicContact CH2-CB 3.81Å; W311-M485 HydrophobicContact CZ3-CB 4.16Å; W311-N486 HydrophobicContact CH2-CB 4.13Å; W311-N486 HydrophobicContact CZ2-CB 3.87Å; W311-M489 HydrophobicContact CH2-CE 3.25Å; W311-M489 HydrophobicContact CZ2-CE 3.27Å
312	S	94	Very high	94	Very high	34 Å²	34	46.5 Å²	46.5	24%	0.238	23%	0.23	C	C	.	.			trans	-138.5	111.8	-174.1	167.5	0	0	0	0	108.2	M314 D315 S316	S312-M314 PolarHBondContact O-N 2.81Å; S312-D315 WeakPolarHBondContact CB-OD2 3.34Å; S312-D315 PolarHBondContact O-N 3.33Å; S312-D315 VanDerWaalsContact OG-CG 3.31Å; S312-D315 PolarHBondContact OG-N 3.49Å; S312-D315 PolarHBondContact OG-OD2 3.28Å; S312-S316 PolarHBondContact O-N 3.05Å; S312-S316 VanDerWaalsContact O-N 3.09Å; S312-S316 PolarHBondContact O-OG 2.92Å
313	W	93.6	Very high	93.9	Very high	21 Å²	21	49 Å²	49	8%	0.08	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-35.5	179	61	-100.2	0	0	0	111.3	W311 S316 I317 A430 F431 I469 E473 M485 M489	W311-W313 HydrophobicContact CH2-CB 3.53Å; W311-W313 HydrophobicContact CZ2-CB 4.43Å; W311-W313 HydrophobicContact CZ3-CB 3.58Å; W313-S316 PolarHBondContact O-N 2.85Å; W313-I317 HydrophobicContact CE3-CD1 3.58Å; W313-I317 HydrophobicContact CE3-CG1 4.45Å; W313-I317 HydrophobicContact CZ3-CD1 3.79Å; W313-I317 WeakPolarHBondContact O-CG1 3.42Å; W313-I317 PolarHBondContact O-N 3.4Å; W313-A430 WeakPolarHBondContact CH2-O 3.43Å; W313-A430 VanDerWaalsContact CZ2-O 3.29Å; W313-A430 WeakPolarHBondContact CZ2-O 3.43Å; W313-F431 AromaticContact CH2-CD2 3.96Å; W313-F431 HydrophobicContact CH2-CD2 3.96Å; W313-F431 AromaticContact CZ3-CD2 3.85Å; W313-F431 HydrophobicContact CZ3-CD2 3.85Å; W313-F431 HydrophobicContact CZ3-CE2 4.07Å; W313-I469 HydrophobicContact CH2-CD1 3.61Å; W313-I469 HydrophobicContact CH2-CG2 4.21Å; W313-I469 HydrophobicContact CZ2-CD1 4.11Å; W313-I469 HydrophobicContact CZ2-CG2 3.59Å; W313-I469 HydrophobicContact CZ3-CD1 3.85Å; W313-E473 PolarHBondContact NE1-OE1 3.04Å; W313-M485 HydrophobicContact CB-CB 4.21Å; W313-M485 HydrophobicContact CB-CE 4.13Å; W313-M485 HydrophobicContact CD2-CE 3.98Å; W313-M485 HydrophobicContact CE3-CE 4.14Å; W313-M485 HydrophobicContact CG-CE 3.97Å; W313-M489 HydrophobicContact CB-CE 3.89Å
314	M	94	Very high	93.8	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-39.5	-178.6	-170.8	67.2	-129.1	0	0	111.7	S312 I317 K318 F431 D432 L436	S312-M314 PolarHBondContact O-N 2.81Å; M314-I317 HydrophobicContact CE-CG2 4.49Å; M314-I317 PolarHBondContact O-N 2.99Å; M314-K318 HydrophobicContact CE-CG 4.08Å; M314-K318 WeakPolarHBondContact O-CG 3.38Å; M314-K318 PolarHBondContact O-N 2.89Å; M314-F431 HydrophobicContact CE-CE1 4.41Å; M314-F431 HydrophobicContact CE-CZ 4.44Å; M314-F431 HydrophobicContact SD-CD2 4.47Å; M314-D432 HydrophobicContact CE-CB 4.34Å; M314-D432 HydrophobicContact CG-CB 4.13Å; M314-D432 HydrophobicContact SD-CB 4.11Å; M314-L436 HydrophobicContact CE-CB 3.77Å; M314-L436 HydrophobicContact CE-CD1 4.15Å; M314-L436 HydrophobicContact CE-CD2 4.09Å; M314-L436 HydrophobicContact CE-CG 4.23Å
315	D	95	Very high	93.5	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-69.7	-38.6	175.8	-63.2	-40.5	0	0	0	111.1	S312 K318 H319	S312-D315 WeakPolarHBondContact CB-OD2 3.34Å; S312-D315 PolarHBondContact O-N 3.33Å; S312-D315 VanDerWaalsContact OG-CG 3.31Å; S312-D315 PolarHBondContact OG-N 3.49Å; S312-D315 PolarHBondContact OG-OD2 3.28Å; D315-K318 PolarHBondContact O-N 3.39Å; D315-H319 WeakPolarHBondContact O-CB 3.48Å; D315-H319 PolarHBondContact O-CD2 2.9Å; D315-H319 PolarHBondContact O-N 2.99Å
316	S	96	Very high	93.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-42.7	172.2	-66.5	0	0	0	0	112.3	L266 S312 W313 H319 L320	L266-S316 PolarHBondContact O-OG 3.26Å; S312-S316 PolarHBondContact O-N 3.05Å; S312-S316 VanDerWaalsContact O-N 3.09Å; S312-S316 PolarHBondContact O-OG 2.92Å; W313-S316 PolarHBondContact O-N 2.85Å; S316-H319 PolarHBondContact O-N 2.88Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 VanDerWaalsContact O-CG 3.3Å; S316-L320 WeakPolarHBondContact O-CG 3.36Å; S316-L320 PolarHBondContact O-N 3.31Å
317	I	94.7	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-47.8	174.4	-70	177.7	0	0	0	110.8	W313 M314 H319 L320 Q321 T328 F329 F431 L436 M489	W313-I317 HydrophobicContact CE3-CD1 3.58Å; W313-I317 HydrophobicContact CE3-CG1 4.45Å; W313-I317 HydrophobicContact CZ3-CD1 3.79Å; W313-I317 WeakPolarHBondContact O-CG1 3.42Å; W313-I317 PolarHBondContact O-N 3.4Å; M314-I317 HydrophobicContact CE-CG2 4.49Å; M314-I317 PolarHBondContact O-N 2.99Å; I317-H319 VanDerWaalsContact C-N 3.33Å; I317-H319 PolarHBondContact O-N 3.13Å; I317-L320 PolarHBondContact O-N 2.97Å; I317-Q321 HydrophobicContact CG2-CG 4.47Å; I317-Q321 WeakPolarHBondContact O-CB 3.41Å; I317-Q321 PolarHBondContact O-N 2.82Å; I317-T328 HydrophobicContact CD1-CG2 3.96Å; I317-T328 HydrophobicContact CG1-CG2 3.99Å; I317-F329 HydrophobicContact CD1-CD2 3.76Å; I317-F329 HydrophobicContact CD1-CE2 3.87Å; I317-F431 HydrophobicContact CD1-CE2 4.16Å; I317-L436 HydrophobicContact CG2-CD1 3.95Å; I317-L436 HydrophobicContact CG2-CD2 4.07Å; I317-M489 HydrophobicContact CD1-SD 4.49Å; I317-M489 HydrophobicContact CG1-SD 3.62Å
318	K	95.3	Very high	92.7	Very high	37 Å²	37	37.4 Å²	37.4	16%	0.161	19%	0.192	C	C	.	.	H	α-helix	trans	-56	-49.1	177	-72.7	171.5	-177.8	176.6	0	110.7	M314 D315 V322 D432 L436 A439	M314-K318 HydrophobicContact CE-CG 4.08Å; M314-K318 WeakPolarHBondContact O-CG 3.38Å; M314-K318 PolarHBondContact O-N 2.89Å; D315-K318 PolarHBondContact O-N 3.39Å; K318-V322 WeakPolarHBondContact O-CB 3.36Å; K318-V322 WeakPolarHBondContact O-CG2 3.43Å; K318-V322 PolarHBondContact O-N 2.95Å; K318-D432 WeakPolarHBondContact CE-OD2 3.43Å; K318-D432 IonicContact NZ-OD2 3.89Å; K318-D432 PolarHBondContact NZ-OD2 3.47Å; K318-L436 HydrophobicContact CB-CD1 4.28Å; K318-L436 HydrophobicContact CG-CD1 3.69Å; K318-A439 HydrophobicContact CB-CB 4.44Å; K318-A439 HydrophobicContact CG-CB 4.38Å
319	H	95.2	Very high	92.5	Very high	83 Å²	83	35.4 Å²	35.4	38%	0.384	18%	0.175	S	C	.	.	H	α-helix	trans	-63.7	-44.4	179.4	-72.5	-43.7	0	0	0	113	L265 D315 S316 I317 Q323	L265-H319 HydrophobicContact CB-CB 4.16Å; L265-H319 HydrophobicContact CD2-CB 4.03Å; D315-H319 WeakPolarHBondContact O-CB 3.48Å; D315-H319 PolarHBondContact O-CD2 2.9Å; D315-H319 PolarHBondContact O-N 2.99Å; S316-H319 PolarHBondContact O-N 2.88Å; I317-H319 VanDerWaalsContact C-N 3.33Å; I317-H319 PolarHBondContact O-N 3.13Å; H319-Q323 WeakPolarHBondContact O-CB 3.37Å; H319-Q323 WeakPolarHBondContact O-CG 3.38Å; H319-Q323 PolarHBondContact O-N 3.15Å
320	L	94.4	Very high	92.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-47.1	178.4	-75.6	-174.2	0	0	0	112.4	L265 L266 S316 I317 L324 N325 V326 M489 V493	L265-L320 HydrophobicContact CB-CD2 4.26Å; L266-L320 HydrophobicContact CD2-CD1 3.65Å; L266-L320 HydrophobicContact CD2-CD2 4.29Å; L266-L320 HydrophobicContact CD2-CG 4.09Å; L266-L320 HydrophobicContact CG-CD1 4.46Å; L266-L320 HydrophobicContact CG-CD2 4.29Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 VanDerWaalsContact O-CG 3.3Å; S316-L320 WeakPolarHBondContact O-CG 3.36Å; S316-L320 PolarHBondContact O-N 3.31Å; I317-L320 PolarHBondContact O-N 2.97Å; L320-L324 HydrophobicContact CD2-CD1 4.08Å; L320-L324 CarbonylContact O-C 3.5Å; L320-L324 WeakPolarHBondContact O-CA 3.2Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 PolarHBondContact O-N 3.35Å; L320-N325 PolarHBondContact O-N 2.98Å; L320-N325 VanDerWaalsContact O-N 3.1Å; L320-V326 HydrophobicContact CB-CB 4.33Å; L320-V326 PolarHBondContact O-N 3.02Å; L320-M489 HydrophobicContact CD1-CB 4.07Å; L320-V493 HydrophobicContact CD1-CG2 3.8Å; L320-V493 HydrophobicContact CD2-CG2 3.59Å; L320-V493 HydrophobicContact CG-CG2 4.33Å
321	Q	91.8	Very high	92.4	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-67.5	-43.6	178.6	-74.4	-170.2	-12.3	0	0	111.7	I317 N325 V326 A330 L436 Y440	I317-Q321 HydrophobicContact CG2-CG 4.47Å; I317-Q321 WeakPolarHBondContact O-CB 3.41Å; I317-Q321 PolarHBondContact O-N 2.82Å; Q321-N325 WeakPolarHBondContact O-CA 3.38Å; Q321-N325 PolarHBondContact O-N 2.89Å; Q321-V326 WeakPolarHBondContact CG-O 3.22Å; Q321-A330 PolarHBondContact NE2-O 3.37Å; Q321-L436 VanDerWaalsContact OE1-CD1 3.29Å; Q321-Y440 HydrophobicContact CB-CD2 4.1Å; Q321-Y440 VanDerWaalsContact O-CE2 3.3Å; Q321-Y440 WeakPolarHBondContact O-CE2 3.35Å
322	V	92.6	Very high	92.1	Very high	15 Å²	15	19.1 Å²	19.1	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-45.8	179.3	169.1	0	0	0	0	112.1	K318 A439 Q627 R630	K318-V322 WeakPolarHBondContact O-CB 3.36Å; K318-V322 WeakPolarHBondContact O-CG2 3.43Å; K318-V322 PolarHBondContact O-N 2.95Å; V322-A439 HydrophobicContact CG2-CB 4.04Å; V322-A439 VanDerWaalsContact CG2-O 3.29Å; V322-A439 WeakPolarHBondContact CG2-O 3.33Å; V322-Q627 PolarHBondContact O-NE2 3.32Å; V322-R630 WeakPolarHBondContact O-CD 3.49Å
323	Q	92.2	Very high	91.4	Very high	56 Å²	56	17.9 Å²	17.9	26%	0.262	9%	0.089	S	C	.	.	H	α-helix	trans	-92.5	-27.5	-169	-67	-70.8	-44.2	0	0	113.5	L265 H319 Q627	L265-Q323 HydrophobicContact CD1-CB 3.69Å; L265-Q323 HydrophobicContact CD1-CG 4.39Å; L265-Q323 HydrophobicContact CD2-CB 3.99Å; L265-Q323 HydrophobicContact CD2-CG 3.74Å; H319-Q323 WeakPolarHBondContact O-CB 3.37Å; H319-Q323 WeakPolarHBondContact O-CG 3.38Å; H319-Q323 PolarHBondContact O-N 3.15Å; Q323-Q627 PolarHBondContact O-NE2 2.99Å
324	L	92.5	Very high	90.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-129.3	-3.9	-172.9	-62	179.2	0	0	0	113.4	K261 V262 L265 L320 V326 Y497 F623	K261-L324 HydrophobicContact CG-CD2 3.8Å; V262-L324 HydrophobicContact CG2-CD1 3.68Å; L265-L324 HydrophobicContact CD1-CD1 3.72Å; L265-L324 HydrophobicContact CD1-CG 3.86Å; L320-L324 HydrophobicContact CD2-CD1 4.08Å; L320-L324 CarbonylContact O-C 3.5Å; L320-L324 WeakPolarHBondContact O-CA 3.2Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 PolarHBondContact O-N 3.35Å; L324-V326 HydrophobicContact CB-CG2 3.71Å; L324-V326 PolarHBondContact O-N 2.91Å; L324-Y497 HydrophobicContact CB-CE2 4.11Å; L324-Y497 HydrophobicContact CD1-CE2 4.44Å; L324-Y497 HydrophobicContact CD2-CE2 4.46Å; L324-Y497 PolarHBondContact O-OH 3.42Å; L324-F623 HydrophobicContact CD2-CD1 3.43Å; L324-F623 VanDerWaalsContact CD2-CD1 3.43Å; L324-F623 HydrophobicContact CD2-CE1 3.45Å; L324-F623 VanDerWaalsContact CD2-CE1 3.45Å; L324-F623 HydrophobicContact CD2-CG 4.26Å; L324-F623 HydrophobicContact CD2-CZ 4.27Å
325	N	90.4	Very high	89.3	Confident	15 Å²	15	20.4 Å²	20.4	8%	0.08	10%	0.098	C	C	.	.			trans	52.7	34.7	-175	-163.5	43.4	0	0	0	113.3	L17 L320 Q321 P327 Y440 M496 V626	L17-N325 VanDerWaalsContact CD2-ND2 3.27Å; L17-N325 WeakPolarHBondContact CD2-ND2 3.45Å; L320-N325 PolarHBondContact O-N 2.98Å; L320-N325 VanDerWaalsContact O-N 3.1Å; Q321-N325 WeakPolarHBondContact O-CA 3.38Å; Q321-N325 PolarHBondContact O-N 2.89Å; N325-P327 WeakPolarHBondContact O-CD 3.16Å; N325-Y440 WeakPolarHBondContact OD1-CE2 3.27Å; N325-Y440 PolarHBondContact OD1-OH 3.2Å; N325-M496 VanDerWaalsContact O-CE 3.23Å; N325-M496 WeakPolarHBondContact O-CE 3.3Å; N325-V626 HydrophobicContact CB-CG1 3.69Å
326	V	91.3	Very high	87.7	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.006	9%	0.086	C	C	.	.			trans	-86.4	107.7	179.6	174.9	0	0	0	0	109.3	L320 Q321 L324 T328 N492 V493 M496 Y497	L320-V326 HydrophobicContact CB-CB 4.33Å; L320-V326 PolarHBondContact O-N 3.02Å; Q321-V326 WeakPolarHBondContact CG-O 3.22Å; L324-V326 HydrophobicContact CB-CG2 3.71Å; L324-V326 PolarHBondContact O-N 2.91Å; V326-T328 PolarHBondContact O-N 3.16Å; V326-N492 HydrophobicContact CG1-CB 3.84Å; V326-V493 HydrophobicContact CB-CG2 4.5Å; V326-V493 HydrophobicContact CG1-CG2 4.04Å; V326-V493 HydrophobicContact CG2-CG2 4.18Å; V326-M496 HydrophobicContact CB-SD 4.08Å; V326-M496 HydrophobicContact CG1-SD 4.47Å; V326-M496 HydrophobicContact CG2-SD 3.57Å; V326-M496 VanDerWaalsContact CG2-SD 3.57Å; V326-Y497 HydrophobicContact CG2-CD2 4.48Å; V326-Y497 HydrophobicContact CG2-CE2 3.78Å
327	P	88.9	Confident	85.6	Confident	26 Å²	26	19.9 Å²	19.9	17%	0.169	10%	0.099	C	C	.	.			trans	-66	137.2	177.7	28.4	-34.1	0	0	0	110.3	N325 A330 D331 D349	N325-P327 WeakPolarHBondContact O-CD 3.16Å; P327-A330 WeakPolarHBondContact CB-O 3.09Å; P327-D331 HydrophobicContact CB-CB 3.74Å; P327-D331 HydrophobicContact CG-CB 4.48Å; P327-D349 HydrophobicContact CB-CB 4.2Å
328	T	89.4	Confident	83.3	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-138.7	117.4	173.8	-57.7	0	0	0	0	107	I317 V326 A330 Y488 M489 N492	I317-T328 HydrophobicContact CD1-CG2 3.96Å; I317-T328 HydrophobicContact CG1-CG2 3.99Å; V326-T328 PolarHBondContact O-N 3.16Å; T328-A330 PolarHBondContact O-N 3.06Å; T328-Y488 HydrophobicContact CG2-CD1 4.09Å; T328-Y488 HydrophobicContact CG2-CE1 3.89Å; T328-M489 HydrophobicContact CG2-CG 3.69Å; T328-M489 HydrophobicContact CG2-SD 4.5Å; T328-N492 PolarHBondContact OG1-ND2 3.28Å
329	F	88.9	Confident	81.1	Confident	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.136	C	C	.	.	S	Bend	trans	65.6	-37.6	-169.3	-51.6	-67.7	0	0	0	115.7	I317 D349 V399 L403 F431 Y461 I465 I469 M485 Y488	I317-F329 HydrophobicContact CD1-CD2 3.76Å; I317-F329 HydrophobicContact CD1-CE2 3.87Å; F329-D349 WeakPolarHBondContact CA-OD2 3.09Å; F329-D349 PolarHBondContact N-OD2 2.93Å; F329-D349 PolarHBondContact O-N 2.94Å; F329-V399 HydrophobicContact CE1-CG1 4.31Å; F329-L403 HydrophobicContact CD1-CD1 4.31Å; F329-L403 HydrophobicContact CD1-CD2 3.84Å; F329-L403 HydrophobicContact CE1-CD1 4.31Å; F329-L403 HydrophobicContact CE1-CD2 4.18Å; F329-F431 HydrophobicContact CB-CE2 4.43Å; F329-F431 HydrophobicContact CD2-CE2 4.15Å; F329-Y461 PolarHBondContact O-OH 3.06Å; F329-I465 HydrophobicContact CB-CD1 4.04Å; F329-I465 HydrophobicContact CB-CG1 4.5Å; F329-I465 HydrophobicContact CB-CG2 4.23Å; F329-I465 HydrophobicContact CG-CG2 4.48Å; F329-I469 HydrophobicContact CE2-CD1 4.45Å; F329-M485 HydrophobicContact CE2-CE 3.57Å; F329-M485 HydrophobicContact CZ-CE 3.53Å; F329-M485 HydrophobicContact CZ-SD 4Å; F329-Y488 HydrophobicContact CD1-CE1 4.13Å; F329-Y488 HydrophobicContact CE1-CD1 4.06Å; F329-Y488 AromaticContact CE1-CE1 3.66Å; F329-Y488 HydrophobicContact CE1-CE1 3.66Å; F329-Y488 HydrophobicContact CE2-CD1 4.5Å; F329-Y488 HydrophobicContact CE2-CE1 4.44Å; F329-Y488 AromaticContact CZ-CD1 3.82Å; F329-Y488 HydrophobicContact CZ-CD1 3.82Å; F329-Y488 AromaticContact CZ-CE1 3.83Å; F329-Y488 HydrophobicContact CZ-CE1 3.83Å
330	A	89.5	Confident	79.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.2	178	0	0	0	0	0	112.8	Q321 P327 T328 I346 F347 W433 L462	Q321-A330 PolarHBondContact NE2-O 3.37Å; P327-A330 WeakPolarHBondContact CB-O 3.09Å; T328-A330 PolarHBondContact O-N 3.06Å; A330-I346 HydrophobicContact CB-CG2 4.06Å; A330-F347 CarbonylContact C-O 3.22Å; A330-F347 WeakPolarHBondContact CA-O 3.3Å; A330-W433 HydrophobicContact CB-CH2 3.7Å; A330-W433 HydrophobicContact CB-CZ3 3.68Å; A330-L462 HydrophobicContact CB-CD2 4.16Å
331	D	87.4	Confident	78.1	Confident	17 Å²	17	36.2 Å²	36.2	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.6	177.2	-168.8	9.1	0	0	0	110.4	P327 H333 I346 F347	P327-D331 HydrophobicContact CB-CB 3.74Å; P327-D331 HydrophobicContact CG-CB 4.48Å; D331-H333 VanDerWaalsContact CG-NE2 3.35Å; D331-H333 IonicContact OD1-CD2 2.7Å; D331-H333 IonicContact OD1-NE2 3.59Å; D331-H333 IonicContact OD2-CD2 3.7Å; D331-H333 IonicContact OD2-CE1 3.31Å; D331-H333 IonicContact OD2-NE2 2.9Å; D331-H333 PolarHBondContact OD2-NE2 3.05Å; D331-I346 WeakPolarHBondContact O-CA 3.39Å; D331-F347 PolarHBondContact N-O 3.28Å; D331-F347 PolarHBondContact O-N 2.98Å
332	F	86.9	Confident	77.3	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.7	-172.5	-53.9	-43.1	0	0	0	112	L344 Y345 I346 W433 L436 L437 Y440	F332-L344 HydrophobicContact CB-CD1 4.07Å; F332-Y345 WeakPolarHBondContact CA-O 3.49Å; F332-I346 HydrophobicContact CD1-CD1 4.48Å; F332-I346 HydrophobicContact CD1-CG1 4.03Å; F332-I346 HydrophobicContact CD1-CG2 4.19Å; F332-I346 HydrophobicContact CE1-CD1 4.29Å; F332-I346 HydrophobicContact CE1-CG1 4.29Å; F332-I346 HydrophobicContact CE1-CG2 4.09Å; F332-W433 HydrophobicContact CE1-CZ3 4.34Å; F332-L436 HydrophobicContact CE2-CD2 4.04Å; F332-L436 HydrophobicContact CE2-CG 3.94Å; F332-L436 HydrophobicContact CZ-CD2 3.64Å; F332-L436 HydrophobicContact CZ-CG 3.91Å; F332-L437 HydrophobicContact CD1-CD2 3.98Å; F332-L437 HydrophobicContact CD2-CD2 4.07Å; F332-L437 HydrophobicContact CE1-CD2 3.74Å; F332-L437 HydrophobicContact CE2-CD2 3.81Å; F332-L437 HydrophobicContact CG-CD2 4.14Å; F332-L437 HydrophobicContact CZ-CD2 3.65Å; F332-L437 HydrophobicContact CZ-CG 4.46Å; F332-Y440 HydrophobicContact CD2-CG 4.41Å
333	H	78.7	Confident	76.8	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.032	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.2	-177.7	-69.1	-138.2	0	0	0	109.1	N20 D331 Y335 Y345 F347	N20-H333 PolarHBondContact ND2-CE1 3.44Å; N20-H333 PolarHBondContact ND2-ND1 2.98Å; N20-H333 PolarHBondContact ND2-NE2 3.28Å; N20-H333 PolarHBondContact OD1-ND1 3.17Å; D331-H333 VanDerWaalsContact CG-NE2 3.35Å; D331-H333 IonicContact OD1-CD2 2.7Å; D331-H333 IonicContact OD1-NE2 3.59Å; D331-H333 IonicContact OD2-CD2 3.7Å; D331-H333 IonicContact OD2-CE1 3.31Å; D331-H333 IonicContact OD2-NE2 2.9Å; D331-H333 PolarHBondContact OD2-NE2 3.05Å; H333-Y335 HydrophobicContact CB-CE2 4.02Å; H333-Y335 AromaticContact ND1-CZ 3.94Å; H333-Y335 PolarHBondContact ND1-OH 3.44Å; H333-Y345 PolarHBondContact N-O 3.38Å; H333-Y345 PolarHBondContact O-N 3.06Å; H333-F347 HydrophobicContact CB-CD2 4.26Å; H333-F347 HydrophobicContact CB-CE2 3.9Å; H333-F347 AromaticContact CD2-CD2 3.88Å; H333-F347 AromaticContact CG-CD2 3.93Å; H333-F347 AromaticContact CG-CE2 3.91Å
334	I	76.6	Confident	76.6	Confident	9 Å²	9	37.3 Å²	37.3	5%	0.046	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.4	172.5	-57.6	-53.8	0	0	0	108.2	T336 P342 L344 F441 Y633 L636 L637	I334-T336 HydrophobicContact CG2-CG2 4.47Å; I334-P342 HydrophobicContact CG2-CB 3.86Å; I334-L344 HydrophobicContact CD1-CB 4.04Å; I334-L344 HydrophobicContact CD1-CD1 3.66Å; I334-L344 HydrophobicContact CD1-CG 4.47Å; I334-F441 HydrophobicContact CD1-CE1 4.11Å; I334-F441 HydrophobicContact CD1-CZ 3.87Å; I334-F441 HydrophobicContact CG1-CE1 4.15Å; I334-F441 HydrophobicContact CG1-CZ 4.23Å; I334-Y633 HydrophobicContact CG1-CD2 4.18Å; I334-Y633 HydrophobicContact CG1-CE2 4.45Å; I334-Y633 HydrophobicContact CG1-CG 4.36Å; I334-L636 HydrophobicContact CG2-CB 4.32Å; I334-L637 HydrophobicContact CD1-CD1 4.04Å
335	Y	68.4	Low	76.4	Confident	83 Å²	83	38.9 Å²	38.9	33%	0.325	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.6	168.6	-61	-62.6	0	0	0	109.7	H333 R343 Y345 F347	H333-Y335 HydrophobicContact CB-CE2 4.02Å; H333-Y335 AromaticContact ND1-CZ 3.94Å; H333-Y335 PolarHBondContact ND1-OH 3.44Å; Y335-R343 PolarHBondContact N-O 3.03Å; Y335-R343 PolarHBondContact O-N 3.45Å; Y335-Y345 HydrophobicContact CD2-CD1 4.15Å; Y335-Y345 AromaticContact CD2-CD2 3.4Å; Y335-Y345 HydrophobicContact CD2-CD2 3.4Å; Y335-Y345 VanDerWaalsContact CD2-CD2 3.4Å; Y335-Y345 HydrophobicContact CD2-CE1 4.34Å; Y335-Y345 AromaticContact CD2-CE2 3.63Å; Y335-Y345 HydrophobicContact CD2-CE2 3.63Å; Y335-Y345 AromaticContact CD2-CG 3.68Å; Y335-Y345 HydrophobicContact CD2-CG 3.68Å; Y335-Y345 HydrophobicContact CE2-CD2 4.29Å; Y335-Y345 HydrophobicContact CE2-CG 4.16Å; Y335-Y345 HydrophobicContact CG-CD2 4.17Å; Y335-Y345 HydrophobicContact CG-CE2 4.15Å; Y335-F347 AromaticContact CE2-CE2 3.99Å; Y335-F347 HydrophobicContact CE2-CE2 3.99Å; Y335-F347 HydrophobicContact CE2-CZ 4.07Å
336	T	60.6	Low	76.5	Confident	18 Å²	18	38.1 Å²	38.1	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	155.8	169.4	99.3	0	0	0	0	109.7	Y23 I334 P342 L636	Y23-T336 HydrophobicContact CD2-CG2 3.56Å; Y23-T336 WeakPolarHBondContact CD2-OG1 3.26Å; Y23-T336 WeakPolarHBondContact CE1-OG1 3.3Å; Y23-T336 HydrophobicContact CE2-CG2 3.55Å; Y23-T336 WeakPolarHBondContact CE2-OG1 3.32Å; Y23-T336 PolarHBondContact OH-OG1 3.4Å; Y23-T336 VanDerWaalsContact OH-OG1 3.05Å; I334-T336 HydrophobicContact CG2-CG2 4.47Å; T336-P342 HydrophobicContact CG2-CB 3.96Å; T336-P342 HydrophobicContact CG2-CG 3.77Å; T336-L636 HydrophobicContact CG2-CD2 4.37Å
337	S	53.1	Low	76.3	Confident	41 Å²	41	39.1 Å²	39.1	29%	0.287	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.5	172.1	167.9	0	0	0	0	106.2	I339 K340	S337-I339 PolarHBondContact O-N 2.88Å; S337-K340 PolarHBondContact O-N 2.97Å
338	P	45.3	Very low	76.2	Confident	33 Å²	33	38 Å²	38	21%	0.214	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.5	179.8	-17.7	21.8	0	0	0	113.4	R651	P338-R651 VanDerWaalsContact CD-NH1 3.3Å; P338-R651 VanDerWaalsContact CG-CZ 3.48Å
339	I	48.4	Very low	75.9	Confident	141 Å²	141	38.1 Å²	38.1	72%	0.723	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.1	-173.6	-46.9	174.6	0	0	0	111.1	S337	S337-I339 PolarHBondContact O-N 2.88Å
340	K	58.4	Low	75.1	Confident	107 Å²	107	39.7 Å²	39.7	47%	0.465	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139	-169.4	-69.3	163.7	167.4	176	0	110.8	S337	S337-K340 PolarHBondContact O-N 2.97Å
341	K	69.3	Low	74.2	Confident	183 Å²	183	39.9 Å²	39.9	80%	0.796	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-46.9	145.7	169.8	-65.1	-171.7	177.7	-172.1	0	110.9	R343	K341-R343 WeakPolarHBondContact O-CG 3.39Å; K341-R343 PolarHBondContact O-N 3.23Å
342	P	75.1	Confident	73.4	Confident	30 Å²	30	39 Å²	39	20%	0.195	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	138.3	172.5	-30.8	39.7	0	0	0	111.6	I334 T336 L636	I334-P342 HydrophobicContact CG2-CB 3.86Å; T336-P342 HydrophobicContact CG2-CB 3.96Å; T336-P342 HydrophobicContact CG2-CG 3.77Å; P342-L636 WeakPolarHBondContact CG-O 3.49Å
343	R	81.9	Confident	72.4	Confident	66 Å²	66	43.5 Å²	43.5	25%	0.249	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.2	-175.7	-74.2	168.6	-178.1	-156.3	-9.9	109.7	Y335 K341 Y345 Y455	Y335-R343 PolarHBondContact N-O 3.03Å; Y335-R343 PolarHBondContact O-N 3.45Å; K341-R343 WeakPolarHBondContact O-CG 3.39Å; K341-R343 PolarHBondContact O-N 3.23Å; R343-Y345 HydrophobicContact CB-CD2 4.23Å; R343-Y345 HydrophobicContact CB-CE2 3.58Å; R343-Y345 VanDerWaalsContact O-CD2 3.28Å; R343-Y345 WeakPolarHBondContact O-CD2 3.46Å; R343-Y455 HydrophobicContact CB-CD2 3.73Å; R343-Y455 HydrophobicContact CB-CE2 3.75Å; R343-Y455 HydrophobicContact CG-CD2 3.99Å; R343-Y455 HydrophobicContact CG-CE2 3.47Å; R343-Y455 VanDerWaalsContact CG-CE2 3.47Å; R343-Y455 VanDerWaalsContact CZ-OH 3.3Å; R343-Y455 PolarHBondContact NE-OH 3.41Å
344	L	88.3	Confident	71.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.4	173.5	177.2	62.7	0	0	0	110.5	F332 I334 I346 L437 F441 F448 Y452 I454 Y455	F332-L344 HydrophobicContact CB-CD1 4.07Å; I334-L344 HydrophobicContact CD1-CB 4.04Å; I334-L344 HydrophobicContact CD1-CD1 3.66Å; I334-L344 HydrophobicContact CD1-CG 4.47Å; L344-I346 HydrophobicContact CG-CG1 4.35Å; L344-L437 HydrophobicContact CD2-CD1 3.69Å; L344-L437 HydrophobicContact CD2-CD2 3.71Å; L344-L437 HydrophobicContact CD2-CG 4.34Å; L344-F441 HydrophobicContact CD1-CE2 3.96Å; L344-F441 HydrophobicContact CD1-CZ 3.98Å; L344-F448 HydrophobicContact CD2-CE1 4.31Å; L344-Y452 HydrophobicContact CB-CE1 4.32Å; L344-Y452 HydrophobicContact CD2-CE1 4.12Å; L344-I454 HydrophobicContact CD2-CG2 4.27Å; L344-Y455 PolarHBondContact O-N 3.35Å
345	Y	88.7	Confident	71.6	Confident	33 Å²	33	45.3 Å²	45.3	13%	0.129	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.5	172.8	-66.8	-107.3	0	0	0	110.4	F332 H333 Y335 R343 F347 Y455	F332-Y345 WeakPolarHBondContact CA-O 3.49Å; H333-Y345 PolarHBondContact N-O 3.38Å; H333-Y345 PolarHBondContact O-N 3.06Å; Y335-Y345 HydrophobicContact CD2-CD1 4.15Å; Y335-Y345 AromaticContact CD2-CD2 3.4Å; Y335-Y345 HydrophobicContact CD2-CD2 3.4Å; Y335-Y345 VanDerWaalsContact CD2-CD2 3.4Å; Y335-Y345 HydrophobicContact CD2-CE1 4.34Å; Y335-Y345 AromaticContact CD2-CE2 3.63Å; Y335-Y345 HydrophobicContact CD2-CE2 3.63Å; Y335-Y345 AromaticContact CD2-CG 3.68Å; Y335-Y345 HydrophobicContact CD2-CG 3.68Å; Y335-Y345 HydrophobicContact CE2-CD2 4.29Å; Y335-Y345 HydrophobicContact CE2-CG 4.16Å; Y335-Y345 HydrophobicContact CG-CD2 4.17Å; Y335-Y345 HydrophobicContact CG-CE2 4.15Å; R343-Y345 HydrophobicContact CB-CD2 4.23Å; R343-Y345 HydrophobicContact CB-CE2 3.58Å; R343-Y345 VanDerWaalsContact O-CD2 3.28Å; R343-Y345 WeakPolarHBondContact O-CD2 3.46Å; Y345-F347 HydrophobicContact CD1-CZ 4.25Å; Y345-F347 HydrophobicContact CG-CE2 4.48Å; Y345-F347 HydrophobicContact CG-CZ 4.4Å; Y345-Y455 WeakPolarHBondContact CA-O 3.31Å; Y345-Y455 VanDerWaalsContact CD1-CB 3.44Å; Y345-Y455 VanDerWaalsContact CE1-CB 3.43Å; Y345-Y455 HydrophobicContact CE1-CG 4.17Å
346	I	90.7	Very high	72.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.6	-179.8	-52.1	-177.4	0	0	0	109	A330 D331 F332 L344 L424 W433 I454 Y455 T456 L462	A330-I346 HydrophobicContact CB-CG2 4.06Å; D331-I346 WeakPolarHBondContact O-CA 3.39Å; F332-I346 HydrophobicContact CD1-CD1 4.48Å; F332-I346 HydrophobicContact CD1-CG1 4.03Å; F332-I346 HydrophobicContact CD1-CG2 4.19Å; F332-I346 HydrophobicContact CE1-CD1 4.29Å; F332-I346 HydrophobicContact CE1-CG1 4.29Å; F332-I346 HydrophobicContact CE1-CG2 4.09Å; L344-I346 HydrophobicContact CG-CG1 4.35Å; I346-L424 HydrophobicContact CD1-CD1 4.05Å; I346-W433 HydrophobicContact CG2-CZ3 4.19Å; I346-I454 HydrophobicContact CD1-CB 4.27Å; I346-I454 HydrophobicContact CD1-CD1 4.07Å; I346-I454 HydrophobicContact CD1-CG2 3.99Å; I346-Y455 PolarHBondContact N-O 3.11Å; I346-Y455 VanDerWaalsContact N-O 3.1Å; I346-T456 VanDerWaalsContact O-CB 3.28Å; I346-T456 WeakPolarHBondContact O-CB 3.36Å; I346-T456 PolarHBondContact O-OG1 3.27Å; I346-L462 HydrophobicContact CB-CD1 3.94Å; I346-L462 HydrophobicContact CG2-CD1 3.65Å; I346-L462 HydrophobicContact CG2-CD2 3.84Å; I346-L462 HydrophobicContact CG2-CG 4.43Å
347	F	87.1	Confident	73.2	Confident	22 Å²	22	43.9 Å²	43.9	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155.9	-178.4	-61.3	-74.7	0	0	0	111.2	A330 D331 H333 Y335 Y345 Y458	A330-F347 CarbonylContact C-O 3.22Å; A330-F347 WeakPolarHBondContact CA-O 3.3Å; D331-F347 PolarHBondContact N-O 3.28Å; D331-F347 PolarHBondContact O-N 2.98Å; H333-F347 HydrophobicContact CB-CD2 4.26Å; H333-F347 HydrophobicContact CB-CE2 3.9Å; H333-F347 AromaticContact CD2-CD2 3.88Å; H333-F347 AromaticContact CG-CD2 3.93Å; H333-F347 AromaticContact CG-CE2 3.91Å; Y335-F347 AromaticContact CE2-CE2 3.99Å; Y335-F347 HydrophobicContact CE2-CE2 3.99Å; Y335-F347 HydrophobicContact CE2-CZ 4.07Å; Y345-F347 HydrophobicContact CD1-CZ 4.25Å; Y345-F347 HydrophobicContact CG-CE2 4.48Å; Y345-F347 HydrophobicContact CG-CZ 4.4Å; F347-Y458 AromaticContact CD1-CD2 3.98Å; F347-Y458 HydrophobicContact CD1-CD2 3.98Å; F347-Y458 AromaticContact CD1-CE2 3.87Å; F347-Y458 HydrophobicContact CD1-CE2 3.87Å; F347-Y458 HydrophobicContact CE1-CE2 4.48Å
348	P	86.7	Confident	74.8	Confident	3 Å²	3	45 Å²	45	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	146.8	165.2	-20	31.8	0	0	0	110.7	A352 Y407 Y458 Y461	P348-A352 HydrophobicContact CB-CB 3.84Å; P348-Y407 HydrophobicContact CB-CD2 4.49Å; P348-Y407 HydrophobicContact CG-CD2 4.3Å; P348-Y407 HydrophobicContact CG-CE2 4.17Å; P348-Y458 HydrophobicContact CG-CD1 4Å; P348-Y458 HydrophobicContact CG-CD2 3.94Å; P348-Y458 HydrophobicContact CG-CE2 4.46Å; P348-Y458 HydrophobicContact CG-CG 3.68Å; P348-Y461 HydrophobicContact CB-CD1 3.87Å; P348-Y461 HydrophobicContact CB-CE1 3.48Å; P348-Y461 VanDerWaalsContact CB-CE1 3.48Å; P348-Y461 HydrophobicContact CB-CE2 4.43Å; P348-Y461 HydrophobicContact CB-CG 4.5Å; P348-Y461 HydrophobicContact CG-CD1 3.56Å; P348-Y461 HydrophobicContact CG-CE1 3.74Å; P348-Y461 HydrophobicContact CG-CG 4.06Å
349	D	84.5	Confident	76.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.247	C	C	.	.			trans	-64.5	169.1	168.9	71.9	-1.4	0	0	0	111.8	P327 F329 G351 A352 Y488	P327-D349 HydrophobicContact CB-CB 4.2Å; F329-D349 WeakPolarHBondContact CA-OD2 3.09Å; F329-D349 PolarHBondContact N-OD2 2.93Å; F329-D349 PolarHBondContact O-N 2.94Å; D349-G351 PolarHBondContact O-N 2.8Å; D349-G351 PolarHBondContact OD1-N 3.07Å; D349-A352 PolarHBondContact O-N 3.48Å; D349-A352 WeakPolarHBondContact OD1-CB 3.49Å; D349-A352 PolarHBondContact OD1-N 3.07Å; D349-Y488 PolarHBondContact OD2-OH 3.17Å
350	S	71.7	Confident	78.8	Confident	35 Å²	35	45.7 Å²	45.7	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-38.9	177.3	56.9	0	0	0	0	111.1	A352 M353 Y355	S350-A352 VanDerWaalsContact C-N 3.27Å; S350-A352 PolarHBondContact O-N 2.79Å; S350-M353 WeakPolarHBondContact O-CB 2.9Å; S350-M353 PolarHBondContact O-N 2.78Å; S350-Y355 VanDerWaalsContact O-CD1 3.23Å; S350-Y355 WeakPolarHBondContact O-CD1 3.34Å; S350-Y355 WeakPolarHBondContact OG-CE1 3.26Å
351	G	70.4	Confident	80.4	Confident	3 Å²	3	40.9 Å²	40.9	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-51.9	-44.6	179.3	0	0	0	0	0	112.7	D349 M353 G354	D349-G351 PolarHBondContact O-N 2.8Å; D349-G351 PolarHBondContact OD1-N 3.07Å; G351-M353 VanDerWaalsContact C-N 3.31Å; G351-M353 PolarHBondContact O-N 3.45Å; G351-G354 PolarHBondContact O-N 3.17Å; G351-G354 VanDerWaalsContact O-N 3.11Å
352	A	70	Confident	81.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-29.9	177.3	0	0	0	0	0	114.9	P348 D349 S350 G354 L403 Y407 Y461	P348-A352 HydrophobicContact CB-CB 3.84Å; D349-A352 PolarHBondContact O-N 3.48Å; D349-A352 WeakPolarHBondContact OD1-CB 3.49Å; D349-A352 PolarHBondContact OD1-N 3.07Å; S350-A352 VanDerWaalsContact C-N 3.27Å; S350-A352 PolarHBondContact O-N 2.79Å; A352-G354 PolarHBondContact O-N 2.63Å; A352-L403 HydrophobicContact CB-CB 4.26Å; A352-Y407 WeakPolarHBondContact O-CB 3.32Å; A352-Y461 HydrophobicContact CB-CE2 3.6Å; A352-Y461 WeakPolarHBondContact CB-OH 3.33Å
353	M	67	Low	82.2	Confident	97 Å²	97	40 Å²	40	48%	0.478	19%	0.192	S	C	.	.	H	α-helix	trans	-74	-9	176.9	-56.4	-167.3	-168.7	0	0	112.5	S350 G351 Y407	S350-M353 WeakPolarHBondContact O-CB 2.9Å; S350-M353 PolarHBondContact O-N 2.78Å; G351-M353 VanDerWaalsContact C-N 3.31Å; G351-M353 PolarHBondContact O-N 3.45Å; M353-Y407 HydrophobicContact CG-CE2 4.17Å
354	G	65.9	Low	82.7	Confident	21 Å²	21	37 Å²	37	22%	0.216	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	38.7	168.4	0	0	0	0	0	114.7	G351 A352 L356	G351-G354 PolarHBondContact O-N 3.17Å; G351-G354 VanDerWaalsContact O-N 3.11Å; A352-G354 PolarHBondContact O-N 2.63Å; G354-L356 VanDerWaalsContact C-N 3.29Å; G354-L356 PolarHBondContact O-N 3.21Å
355	Y	71.5	Confident	83	Confident	34 Å²	34	37 Å²	37	13%	0.133	18%	0.181	C	C	.	.			trans	-70.2	-21.8	178.9	73	-85.1	0	0	0	113.8	S350 W491 D495	S350-Y355 VanDerWaalsContact O-CD1 3.23Å; S350-Y355 WeakPolarHBondContact O-CD1 3.34Å; S350-Y355 WeakPolarHBondContact OG-CE1 3.26Å; Y355-W491 PolarHBondContact OH-NE1 3.44Å; Y355-D495 WeakPolarHBondContact CE2-OD2 3.48Å; Y355-D495 VanDerWaalsContact CZ-OD2 3.31Å; Y355-D495 VanDerWaalsContact OH-CG 3.26Å; Y355-D495 PolarHBondContact OH-OD2 3.48Å
356	L	78.9	Confident	83.4	Confident	15 Å²	15	36.8 Å²	36.8	8%	0.079	18%	0.183	C	C	.	.			trans	-90.1	106.8	176.4	-63.3	171.5	0	0	0	110.9	G354 K360 I361 V365 L396 W491	G354-L356 VanDerWaalsContact C-N 3.29Å; G354-L356 PolarHBondContact O-N 3.21Å; L356-K360 HydrophobicContact CD2-CB 4.37Å; L356-I361 HydrophobicContact CB-CD1 4.26Å; L356-I361 HydrophobicContact CB-CG1 4Å; L356-V365 HydrophobicContact CD2-CG2 4.46Å; L356-L396 HydrophobicContact CD1-CD1 4.22Å; L356-L396 HydrophobicContact CD1-CD2 3.97Å; L356-L396 HydrophobicContact CD1-CG 4.22Å; L356-W491 VanDerWaalsContact CD1-NE1 3.29Å; L356-W491 HydrophobicContact CD2-CZ2 4.05Å
357	S	84.4	Confident	83.5	Confident	55 Å²	55	37.5 Å²	37.5	39%	0.385	19%	0.19	S	C	.	.			trans	-76.4	160.9	166.6	65.9	0	0	0	0	110.9	Y359 K360 I361	S357-Y359 PolarHBondContact O-N 3.48Å; S357-Y359 VanDerWaalsContact O-N 3.16Å; S357-K360 PolarHBondContact O-N 3.11Å; S357-K360 PolarHBondContact OG-N 3.23Å; S357-K360 VanDerWaalsContact OG-N 3.12Å; S357-I361 WeakPolarHBondContact O-CG1 3.46Å; S357-I361 PolarHBondContact O-N 2.98Å
358	D	86.1	Confident	84	Confident	65 Å²	65	36.4 Å²	36.4	35%	0.348	19%	0.185	S	C	.	.	H	α-helix	trans	-54.7	-35	173.2	-165.9	58.5	0	0	0	111.3	I361 R362 K397	D358-I361 PolarHBondContact O-N 3.45Å; D358-R362 VanDerWaalsContact O-CG 3.32Å; D358-R362 WeakPolarHBondContact O-CG 3.29Å; D358-R362 PolarHBondContact O-N 3.38Å; D358-R362 IonicContact OD1-NE 3.49Å; D358-R362 IonicContact OD2-CZ 3.87Å; D358-R362 IonicContact OD2-NE 3.54Å; D358-R362 PolarHBondContact OD2-NE 2.91Å; D358-R362 IonicContact OD2-NH2 3.76Å; D358-K397 WeakPolarHBondContact OD1-CD 3.36Å; D358-K397 WeakPolarHBondContact OD1-CE 3.32Å; D358-K397 IonicContact OD1-NZ 3.63Å; D358-K397 PolarHBondContact OD1-NZ 3.35Å; D358-K397 IonicContact OD2-NZ 3.89Å
359	Y	89.4	Confident	84.4	Confident	152 Å²	152	36.3 Å²	36.3	60%	0.596	18%	0.184	S	C	*	.	H	α-helix	trans	-61.5	-53.1	172.9	178.5	-101	0	0	0	112	S357 I361 R362 T363 Y512	S357-Y359 PolarHBondContact O-N 3.48Å; S357-Y359 VanDerWaalsContact O-N 3.16Å; Y359-I361 VanDerWaalsContact C-N 3.27Å; Y359-I361 PolarHBondContact O-N 3.08Å; Y359-R362 PolarHBondContact O-N 3.45Å; Y359-R362 VanDerWaalsContact O-N 3.11Å; Y359-T363 HydrophobicContact CD2-CG2 4.12Å; Y359-T363 HydrophobicContact CE2-CG2 3.79Å; Y359-T363 PolarHBondContact O-N 3.26Å; Y359-T363 PolarHBondContact O-OG1 3.24Å; Y359-T363 VanDerWaalsContact O-OG1 3.04Å; Y359-Y512 HydrophobicContact CE1-CE1 4.13Å
360	K	89.5	Confident	85	Confident	37 Å²	37	41 Å²	41	16%	0.161	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-35.8	178.1	-76.4	-167.3	172.3	-166.1	0	112.3	L356 S357 Y364 V365 Y512 N513	L356-K360 HydrophobicContact CD2-CB 4.37Å; S357-K360 PolarHBondContact O-N 3.11Å; S357-K360 PolarHBondContact OG-N 3.23Å; S357-K360 VanDerWaalsContact OG-N 3.12Å; K360-Y364 WeakPolarHBondContact O-CA 3.37Å; K360-Y364 VanDerWaalsContact O-CB 3.31Å; K360-Y364 WeakPolarHBondContact O-CB 3Å; K360-Y364 PolarHBondContact O-N 2.7Å; K360-V365 PolarHBondContact O-N 3.18Å; K360-V365 VanDerWaalsContact O-N 3.07Å; K360-Y512 VanDerWaalsContact CE-O 3.29Å; K360-Y512 WeakPolarHBondContact CE-O 3.39Å; K360-Y512 PolarHBondContact NZ-O 2.92Å; K360-N513 PolarHBondContact NZ-OD1 3.46Å
361	I	90.8	Very high	86.1	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	20%	0.197	C	C	.	.	I	π-helix	trans	-64.7	-46	175.1	-66.6	174.9	0	0	0	110.8	L356 S357 D358 Y359 T363 V365 T366 T393 L396 K397	L356-I361 HydrophobicContact CB-CD1 4.26Å; L356-I361 HydrophobicContact CB-CG1 4Å; S357-I361 WeakPolarHBondContact O-CG1 3.46Å; S357-I361 PolarHBondContact O-N 2.98Å; D358-I361 PolarHBondContact O-N 3.45Å; Y359-I361 VanDerWaalsContact C-N 3.27Å; Y359-I361 PolarHBondContact O-N 3.08Å; I361-T363 VanDerWaalsContact C-N 3.34Å; I361-T363 PolarHBondContact O-N 3.13Å; I361-V365 HydrophobicContact CG1-CG2 4.46Å; I361-V365 WeakPolarHBondContact O-CB 3.41Å; I361-T366 PolarHBondContact O-OG1 2.99Å; I361-T393 HydrophobicContact CG2-CG2 4.03Å; I361-L396 HydrophobicContact CG1-CD2 4.48Å; I361-K397 HydrophobicContact CD1-CB 4.01Å
362	R	90.8	Very high	87.3	Confident	155 Å²	155	39.6 Å²	39.6	59%	0.585	20%	0.196	S	C	*	.	I	π-helix	trans	-70.7	-27.9	-178.6	-71.7	176.6	-172.5	-84.2	2.8	113.8	D358 Y359 T366	D358-R362 VanDerWaalsContact O-CG 3.32Å; D358-R362 WeakPolarHBondContact O-CG 3.29Å; D358-R362 PolarHBondContact O-N 3.38Å; D358-R362 IonicContact OD1-NE 3.49Å; D358-R362 IonicContact OD2-CZ 3.87Å; D358-R362 IonicContact OD2-NE 3.54Å; D358-R362 PolarHBondContact OD2-NE 2.91Å; D358-R362 IonicContact OD2-NH2 3.76Å; Y359-R362 PolarHBondContact O-N 3.45Å; Y359-R362 VanDerWaalsContact O-N 3.11Å; R362-T366 VanDerWaalsContact O-CB 3.31Å; R362-T366 WeakPolarHBondContact O-CB 3.3Å; R362-T366 PolarHBondContact O-OG1 3.22Å; R362-T366 VanDerWaalsContact O-OG1 3.08Å
363	T	92.4	Very high	88.5	Confident	40 Å²	40	40 Å²	40	25%	0.245	20%	0.199	C	C	.	.	I	π-helix	trans	-109	-62.7	-174	67.5	0	0	0	0	112.3	Y359 I361 G367 Y512	Y359-T363 HydrophobicContact CD2-CG2 4.12Å; Y359-T363 HydrophobicContact CE2-CG2 3.79Å; Y359-T363 PolarHBondContact O-N 3.26Å; Y359-T363 PolarHBondContact O-OG1 3.24Å; Y359-T363 VanDerWaalsContact O-OG1 3.04Å; I361-T363 VanDerWaalsContact C-N 3.34Å; I361-T363 PolarHBondContact O-N 3.13Å; T363-G367 PolarHBondContact O-N 2.81Å; T363-Y512 WeakPolarHBondContact CB-OH 3.49Å; T363-Y512 WeakPolarHBondContact OG1-CE1 3.37Å; T363-Y512 PolarHBondContact OG1-OH 2.67Å
364	Y	92.9	Very high	89.8	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.008	20%	0.199	C	C	.	.	I	π-helix	trans	-67.3	-51.2	-175.3	170.7	-121.7	0	0	0	112.6	K360 T366 G367 V368 W491 I498 H509 Y512	K360-Y364 WeakPolarHBondContact O-CA 3.37Å; K360-Y364 VanDerWaalsContact O-CB 3.31Å; K360-Y364 WeakPolarHBondContact O-CB 3Å; K360-Y364 PolarHBondContact O-N 2.7Å; Y364-T366 VanDerWaalsContact C-N 3.34Å; Y364-T366 PolarHBondContact O-N 2.8Å; Y364-G367 PolarHBondContact O-N 2.93Å; Y364-V368 HydrophobicContact CD2-CG2 4.05Å; Y364-V368 HydrophobicContact CE2-CG2 3.71Å; Y364-V368 WeakPolarHBondContact O-CG2 3.18Å; Y364-V368 PolarHBondContact O-N 3.23Å; Y364-W491 AromaticContact CD1-CH2 3.93Å; Y364-W491 HydrophobicContact CD1-CH2 3.93Å; Y364-W491 HydrophobicContact CD1-CZ2 4.16Å; Y364-W491 AromaticContact CE1-CH2 3.57Å; Y364-W491 HydrophobicContact CE1-CH2 3.57Å; Y364-W491 AromaticContact CE1-CZ2 3.75Å; Y364-W491 HydrophobicContact CE1-CZ2 3.75Å; Y364-I498 WeakPolarHBondContact OH-CD1 3.48Å; Y364-H509 PolarHBondContact OH-ND1 3.33Å; Y364-H509 VanDerWaalsContact OH-ND1 3.07Å; Y364-Y512 AromaticContact CD2-CD2 3.57Å; Y364-Y512 HydrophobicContact CD2-CD2 3.57Å; Y364-Y512 HydrophobicContact CD2-CE2 4.28Å; Y364-Y512 AromaticContact CD2-CG 3.93Å; Y364-Y512 HydrophobicContact CD2-CG 3.93Å; Y364-Y512 HydrophobicContact CG-CD2 4Å; Y364-Y512 AromaticContact CG-CG 3.98Å; Y364-Y512 HydrophobicContact CG-CG 3.98Å
365	V	94.6	Very high	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-60.8	-47.4	179.1	177	0	0	0	0	109.9	L356 K360 I361 G367 V368 L369 F392 T393 L396 W491	L356-V365 HydrophobicContact CD2-CG2 4.46Å; K360-V365 PolarHBondContact O-N 3.18Å; K360-V365 VanDerWaalsContact O-N 3.07Å; I361-V365 HydrophobicContact CG1-CG2 4.46Å; I361-V365 WeakPolarHBondContact O-CB 3.41Å; V365-G367 PolarHBondContact O-N 2.95Å; V365-V368 PolarHBondContact O-N 3.15Å; V365-L369 HydrophobicContact CG1-CD1 4.15Å; V365-L369 HydrophobicContact CG1-CG 4.4Å; V365-L369 WeakPolarHBondContact O-CG 2.99Å; V365-L369 PolarHBondContact O-N 3.3Å; V365-F392 HydrophobicContact CG1-CD1 4.31Å; V365-F392 HydrophobicContact CG1-CE1 4.22Å; V365-T393 HydrophobicContact CG1-CG2 4.23Å; V365-L396 HydrophobicContact CG1-CD2 4.02Å; V365-L396 HydrophobicContact CG2-CD2 3.84Å; V365-W491 HydrophobicContact CB-CE3 4.39Å; V365-W491 HydrophobicContact CB-CH2 4.1Å; V365-W491 HydrophobicContact CB-CZ3 3.95Å; V365-W491 HydrophobicContact CG1-CD2 4.42Å; V365-W491 HydrophobicContact CG1-CE3 3.76Å; V365-W491 HydrophobicContact CG1-CH2 4.34Å; V365-W491 HydrophobicContact CG1-CZ3 3.72Å; V365-W491 HydrophobicContact CG2-CD2 4.26Å; V365-W491 HydrophobicContact CG2-CE3 4.14Å; V365-W491 HydrophobicContact CG2-CH2 3.53Å; V365-W491 HydrophobicContact CG2-CZ2 3.66Å; V365-W491 HydrophobicContact CG2-CZ3 3.78Å
366	T	95.4	Very high	92.3	Very high	30 Å²	30	39.9 Å²	39.9	18%	0.184	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-49.7	177.4	-64.9	0	0	0	0	111.6	I361 R362 Y364 V368 L369 E370 I389	I361-T366 PolarHBondContact O-OG1 2.99Å; R362-T366 VanDerWaalsContact O-CB 3.31Å; R362-T366 WeakPolarHBondContact O-CB 3.3Å; R362-T366 PolarHBondContact O-OG1 3.22Å; R362-T366 VanDerWaalsContact O-OG1 3.08Å; Y364-T366 VanDerWaalsContact C-N 3.34Å; Y364-T366 PolarHBondContact O-N 2.8Å; T366-V368 VanDerWaalsContact C-N 3.33Å; T366-V368 PolarHBondContact O-N 2.88Å; T366-L369 PolarHBondContact O-N 2.84Å; T366-L369 VanDerWaalsContact O-N 3.14Å; T366-E370 HydrophobicContact CG2-CG 4.47Å; T366-E370 WeakPolarHBondContact O-CG 3.47Å; T366-E370 PolarHBondContact O-N 3.27Å; T366-I389 HydrophobicContact CG2-CG2 4.04Å
367	G	94.5	Very high	93.1	Very high	14 Å²	14	40.7 Å²	40.7	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-40.3	178.8	0	0	0	0	0	113.2	T363 Y364 V365 L369 E370 V371	T363-G367 PolarHBondContact O-N 2.81Å; Y364-G367 PolarHBondContact O-N 2.93Å; V365-G367 PolarHBondContact O-N 2.95Å; G367-L369 PolarHBondContact O-N 2.64Å; G367-E370 PolarHBondContact O-N 3Å; G367-V371 WeakPolarHBondContact O-CG2 3.27Å; G367-V371 PolarHBondContact O-N 2.79Å; G367-V371 VanDerWaalsContact O-N 3.11Å
368	V	95.9	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.2	169.4	0	0	0	0	111.5	Y364 V365 T366 V371 L372 W491 L494 I498 Y505	Y364-V368 HydrophobicContact CD2-CG2 4.05Å; Y364-V368 HydrophobicContact CE2-CG2 3.71Å; Y364-V368 WeakPolarHBondContact O-CG2 3.18Å; Y364-V368 PolarHBondContact O-N 3.23Å; V365-V368 PolarHBondContact O-N 3.15Å; T366-V368 VanDerWaalsContact C-N 3.33Å; T366-V368 PolarHBondContact O-N 2.88Å; V368-V371 PolarHBondContact O-N 3.38Å; V368-L372 PolarHBondContact O-N 2.95Å; V368-W491 HydrophobicContact CB-CZ3 4.41Å; V368-W491 HydrophobicContact CG1-CZ3 4.33Å; V368-L494 HydrophobicContact CG1-CD1 4.42Å; V368-I498 HydrophobicContact CB-CD1 4.37Å; V368-I498 HydrophobicContact CG1-CD1 3.67Å; V368-I498 HydrophobicContact CG1-CG1 3.94Å; V368-I498 HydrophobicContact CG2-CD1 3.84Å; V368-I498 HydrophobicContact CG2-CG1 4.46Å; V368-Y505 HydrophobicContact CG1-CD1 4.27Å; V368-Y505 HydrophobicContact CG1-CE1 4.15Å
369	L	96.8	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-32.8	-179.9	-62.4	-176.9	0	0	0	112.2	L271 V365 T366 G367 L372 A373 Y385 I389 F392 L494	L271-L369 HydrophobicContact CD2-CD1 4.14Å; L271-L369 HydrophobicContact CD2-CD2 3.63Å; L271-L369 HydrophobicContact CD2-CG 4.31Å; V365-L369 HydrophobicContact CG1-CD1 4.15Å; V365-L369 HydrophobicContact CG1-CG 4.4Å; V365-L369 WeakPolarHBondContact O-CG 2.99Å; V365-L369 PolarHBondContact O-N 3.3Å; T366-L369 PolarHBondContact O-N 2.84Å; T366-L369 VanDerWaalsContact O-N 3.14Å; G367-L369 PolarHBondContact O-N 2.64Å; L369-L372 HydrophobicContact CD2-CD2 4.36Å; L369-L372 WeakPolarHBondContact O-CB 2.77Å; L369-L372 PolarHBondContact O-N 3.41Å; L369-A373 PolarHBondContact O-N 3.39Å; L369-Y385 WeakPolarHBondContact O-CE1 3.37Å; L369-Y385 PolarHBondContact O-OH 2.94Å; L369-I389 HydrophobicContact CB-CD1 4.11Å; L369-I389 HydrophobicContact CB-CG1 3.95Å; L369-I389 HydrophobicContact CD1-CG1 4.27Å; L369-I389 HydrophobicContact CD1-CG2 4.32Å; L369-F392 HydrophobicContact CD1-CB 4.17Å; L369-F392 HydrophobicContact CD1-CD1 3.54Å; L369-F392 HydrophobicContact CD1-CD2 4.42Å; L369-F392 HydrophobicContact CD1-CE1 4Å; L369-F392 HydrophobicContact CD1-CG 3.79Å; L369-L494 HydrophobicContact CD2-CD1 3.78Å
370	E	95.2	Very high	93.9	Very high	101 Å²	101	42.3 Å²	42.3	47%	0.472	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-42.6	172.9	-71.7	178.5	162.1	0	0	112.1	T366 G367 L372 A373 R374 I389	T366-E370 HydrophobicContact CG2-CG 4.47Å; T366-E370 WeakPolarHBondContact O-CG 3.47Å; T366-E370 PolarHBondContact O-N 3.27Å; G367-E370 PolarHBondContact O-N 3Å; E370-L372 VanDerWaalsContact C-N 3.32Å; E370-L372 PolarHBondContact O-N 3.38Å; E370-A373 WeakPolarHBondContact O-CB 3.38Å; E370-A373 PolarHBondContact O-N 3.38Å; E370-R374 PolarHBondContact O-N 3.24Å; E370-R374 VanDerWaalsContact O-N 3.16Å; E370-I389 HydrophobicContact CG-CD1 3.84Å
371	V	95	Very high	93.9	Very high	8 Å²	8	42 Å²	42	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-41.4	173.3	175.7	0	0	0	0	110.5	G367 V368 A373 R374 D375 E504 Y505 L508	G367-V371 WeakPolarHBondContact O-CG2 3.27Å; G367-V371 PolarHBondContact O-N 2.79Å; G367-V371 VanDerWaalsContact O-N 3.11Å; V368-V371 PolarHBondContact O-N 3.38Å; V371-A373 VanDerWaalsContact C-N 3.34Å; V371-A373 PolarHBondContact O-N 2.91Å; V371-R374 WeakPolarHBondContact O-CB 3.13Å; V371-R374 PolarHBondContact O-N 3.07Å; V371-D375 PolarHBondContact O-N 3.45Å; V371-E504 HydrophobicContact CG2-CG 4.28Å; V371-Y505 HydrophobicContact CB-CE1 3.99Å; V371-Y505 HydrophobicContact CG1-CD1 4.1Å; V371-Y505 HydrophobicContact CG1-CD2 3.98Å; V371-Y505 HydrophobicContact CG1-CE1 3.63Å; V371-Y505 HydrophobicContact CG1-CE2 3.48Å; V371-Y505 VanDerWaalsContact CG1-CE2 3.48Å; V371-Y505 HydrophobicContact CG1-CG 4.25Å; V371-L508 HydrophobicContact CG2-CD1 3.65Å
372	L	96.5	Very high	94	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-40.6	175.5	-174.9	70	0	0	0	112.4	A255 M259 L271 F296 V368 L369 E370 R374 D375 A376 F490 Y505	A255-L372 HydrophobicContact CB-CD1 3.66Å; M259-L372 HydrophobicContact CE-CD1 4.38Å; M259-L372 HydrophobicContact CG-CD1 4.33Å; M259-L372 HydrophobicContact SD-CD1 4.08Å; L271-L372 HydrophobicContact CD2-CD2 4.32Å; F296-L372 HydrophobicContact CE1-CD1 4.27Å; F296-L372 HydrophobicContact CZ-CD1 3.75Å; F296-L372 HydrophobicContact CZ-CG 4.43Å; V368-L372 PolarHBondContact O-N 2.95Å; L369-L372 HydrophobicContact CD2-CD2 4.36Å; L369-L372 WeakPolarHBondContact O-CB 2.77Å; L369-L372 PolarHBondContact O-N 3.41Å; E370-L372 VanDerWaalsContact C-N 3.32Å; E370-L372 PolarHBondContact O-N 3.38Å; L372-R374 VanDerWaalsContact C-N 3.29Å; L372-R374 PolarHBondContact O-N 3.12Å; L372-D375 PolarHBondContact O-N 3.38Å; L372-A376 WeakPolarHBondContact O-CB 3.43Å; L372-A376 PolarHBondContact O-N 2.92Å; L372-F490 HydrophobicContact CD2-CE1 3.75Å; L372-F490 HydrophobicContact CD2-CZ 3.71Å; L372-Y505 WeakPolarHBondContact CA-OH 3.44Å; L372-Y505 PolarHBondContact N-OH 3.28Å
373	A	95.6	Very high	94.1	Very high	9 Å²	9	39.2 Å²	39.2	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-44.8	175.3	0	0	0	0	0	111.3	L369 E370 V371 A376 G377 I378 Y385	L369-A373 PolarHBondContact O-N 3.39Å; E370-A373 WeakPolarHBondContact O-CB 3.38Å; E370-A373 PolarHBondContact O-N 3.38Å; V371-A373 VanDerWaalsContact C-N 3.34Å; V371-A373 PolarHBondContact O-N 2.91Å; A373-A376 WeakPolarHBondContact O-CB 3.31Å; A373-A376 PolarHBondContact O-N 3.28Å; A373-G377 PolarHBondContact O-N 3Å; A373-I378 HydrophobicContact CB-CB 4.25Å; A373-I378 WeakPolarHBondContact O-CB 3.48Å; A373-I378 PolarHBondContact O-N 3.25Å; A373-Y385 HydrophobicContact CB-CD1 3.56Å; A373-Y385 HydrophobicContact CB-CE1 3.22Å; A373-Y385 HydrophobicContact CB-CE2 4.36Å; A373-Y385 HydrophobicContact CB-CG 4.26Å
374	R	94	Very high	94.2	Very high	123 Å²	123	37.3 Å²	37.3	46%	0.464	19%	0.192	S	C	.	.	H	α-helix	trans	-65.3	-44.8	179.5	-171.3	-177.4	62.1	-139.9	-13.8	111.4	E370 V371 L372 A376 G377 E504	E370-R374 PolarHBondContact O-N 3.24Å; E370-R374 VanDerWaalsContact O-N 3.16Å; V371-R374 WeakPolarHBondContact O-CB 3.13Å; V371-R374 PolarHBondContact O-N 3.07Å; L372-R374 VanDerWaalsContact C-N 3.29Å; L372-R374 PolarHBondContact O-N 3.12Å; R374-A376 VanDerWaalsContact C-N 3.25Å; R374-A376 PolarHBondContact O-N 3.21Å; R374-G377 WeakPolarHBondContact O-CA 3.27Å; R374-G377 PolarHBondContact O-N 2.81Å; R374-E504 IonicContact CZ-OE1 3.11Å; R374-E504 VanDerWaalsContact CZ-OE1 3.27Å; R374-E504 IonicContact CZ-OE2 2.82Å; R374-E504 VanDerWaalsContact CZ-OE2 3.32Å; R374-E504 IonicContact NH1-OE1 2.91Å; R374-E504 PolarHBondContact NH1-OE1 3.08Å; R374-E504 IonicContact NH1-OE2 2.67Å; R374-E504 PolarHBondContact NH1-OE2 3.14Å; R374-E504 IonicContact NH2-OE1 2.78Å; R374-E504 PolarHBondContact NH2-OE1 3.39Å; R374-E504 IonicContact NH2-OE2 2.68Å; R374-E504 PolarHBondContact NH2-OE2 3.25Å
375	D	94.5	Very high	94.3	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-34	175.3	-74.9	-1.7	0	0	0	112	G254 A255 F296 V371 L372 G377 Y505	G254-D375 WeakPolarHBondContact CA-OD2 3.41Å; A255-D375 PolarHBondContact N-OD2 3.13Å; F296-D375 HydrophobicContact CD1-CB 4.09Å; F296-D375 VanDerWaalsContact CD1-O 3.3Å; F296-D375 WeakPolarHBondContact CD1-O 3.45Å; F296-D375 HydrophobicContact CE1-CB 3.55Å; F296-D375 HydrophobicContact CZ-CB 4.46Å; V371-D375 PolarHBondContact O-N 3.45Å; L372-D375 PolarHBondContact O-N 3.38Å; D375-G377 PolarHBondContact O-N 3.07Å; D375-Y505 VanDerWaalsContact OD2-CE2 3.24Å; D375-Y505 WeakPolarHBondContact OD2-CE2 3.23Å; D375-Y505 PolarHBondContact OD2-OH 3.22Å
376	A	95.8	Very high	94.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.5	174.5	0	0	0	0	0	112.9	L272 L295 F296 L372 A373 R374 I378	L272-A376 HydrophobicContact CD2-CB 4.19Å; L295-A376 WeakPolarHBondContact CA-O 2.87Å; L295-A376 HydrophobicContact CD2-CB 4.18Å; L295-A376 VanDerWaalsContact CD2-O 3.29Å; L295-A376 WeakPolarHBondContact CD2-O 3.44Å; F296-A376 HydrophobicContact CD2-CB 4.05Å; F296-A376 HydrophobicContact CE1-CB 4.29Å; F296-A376 HydrophobicContact CE2-CB 3.51Å; F296-A376 HydrophobicContact CZ-CB 3.63Å; F296-A376 PolarHBondContact N-O 3.28Å; L372-A376 WeakPolarHBondContact O-CB 3.43Å; L372-A376 PolarHBondContact O-N 2.92Å; A373-A376 WeakPolarHBondContact O-CB 3.31Å; A373-A376 PolarHBondContact O-N 3.28Å; R374-A376 VanDerWaalsContact C-N 3.25Å; R374-A376 PolarHBondContact O-N 3.21Å; A376-I378 HydrophobicContact CB-CD1 4.27Å; A376-I378 HydrophobicContact CB-CG1 4.17Å
377	G	95.1	Very high	94.2	Very high	32 Å²	32	42.9 Å²	42.9	33%	0.33	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	14.5	-176.2	0	0	0	0	0	114.1	P292 A373 R374 D375	P292-G377 VanDerWaalsContact CD-O 3.27Å; P292-G377 WeakPolarHBondContact CD-O 3.45Å; P292-G377 WeakPolarHBondContact CG-O 3.3Å; A373-G377 PolarHBondContact O-N 3Å; R374-G377 WeakPolarHBondContact O-CA 3.27Å; R374-G377 PolarHBondContact O-N 2.81Å; D375-G377 PolarHBondContact O-N 3.07Å
378	I	95.4	Very high	94.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.041	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-70.7	129.9	177	-61.7	174.8	0	0	0	108.4	L272 W291 L295 A373 A376 Y380 N382 Y385	L272-I378 HydrophobicContact CD2-CD1 4.09Å; W291-I378 HydrophobicContact CD2-CD1 3.92Å; W291-I378 HydrophobicContact CD2-CG1 4.13Å; W291-I378 HydrophobicContact CE3-CD1 3.97Å; W291-I378 HydrophobicContact CE3-CG1 4.46Å; W291-I378 HydrophobicContact CG-CD1 4.49Å; W291-I378 HydrophobicContact CG-CG1 4.18Å; W291-I378 HydrophobicContact CG-CG2 4.46Å; W291-I378 HydrophobicContact CH2-CD1 4.24Å; W291-I378 HydrophobicContact CZ2-CD1 4.19Å; W291-I378 HydrophobicContact CZ3-CD1 4.14Å; L295-I378 HydrophobicContact CD2-CD1 4.5Å; L295-I378 HydrophobicContact CD2-CG1 4.01Å; A373-I378 HydrophobicContact CB-CB 4.25Å; A373-I378 WeakPolarHBondContact O-CB 3.48Å; A373-I378 PolarHBondContact O-N 3.25Å; A376-I378 HydrophobicContact CB-CD1 4.27Å; A376-I378 HydrophobicContact CB-CG1 4.17Å; I378-Y380 PolarHBondContact O-N 3.36Å; I378-N382 HydrophobicContact CG2-CB 3.84Å; I378-Y385 HydrophobicContact CD1-CD2 3.47Å; I378-Y385 VanDerWaalsContact CD1-CD2 3.47Å; I378-Y385 HydrophobicContact CD1-CE2 3.6Å; I378-Y385 HydrophobicContact CD1-CG 4.21Å; I378-Y385 HydrophobicContact CG2-CG 4.35Å
379	P	92.4	Very high	94.3	Very high	63 Å²	63	42.7 Å²	42.7	41%	0.409	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-56.2	135.8	-178	-26.1	34.2	0	0	0	112.4	G381 N382	P379-G381 PolarHBondContact O-N 3.39Å; P379-N382 VanDerWaalsContact O-CB 3.26Å; P379-N382 WeakPolarHBondContact O-CB 3.49Å; P379-N382 PolarHBondContact O-N 3.35Å; P379-N382 VanDerWaalsContact O-N 3.11Å
380	Y	89.6	Confident	94.2	Very high	236 Å²	236	47.4 Å²	47.4	93%	0.925	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	135	173.3	-178.1	-99	0	0	0	110.2	I378	I378-Y380 PolarHBondContact O-N 3.36Å
381	G	87.8	Confident	94.3	Very high	30 Å²	30	43 Å²	43	31%	0.309	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	5.4	-177.8	0	0	0	0	0	115.3	P379 E383	P379-G381 PolarHBondContact O-N 3.39Å; G381-E383 PolarHBondContact O-N 2.97Å; G381-E383 VanDerWaalsContact O-N 3.11Å
382	N	93.3	Very high	94.3	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.064	21%	0.205	C	C	.	.			trans	-58	115	176	-176.3	-95.9	0	0	0	111.4	W291 I378 P379 E384 Y385 K386	W291-N382 PolarHBondContact NE1-OD1 3.45Å; I378-N382 HydrophobicContact CG2-CB 3.84Å; P379-N382 VanDerWaalsContact O-CB 3.26Å; P379-N382 WeakPolarHBondContact O-CB 3.49Å; P379-N382 PolarHBondContact O-N 3.35Å; P379-N382 VanDerWaalsContact O-N 3.11Å; N382-E384 VanDerWaalsContact C-N 3.33Å; N382-E384 PolarHBondContact O-N 2.81Å; N382-E384 WeakPolarHBondContact OD1-CB 3.45Å; N382-Y385 PolarHBondContact O-N 2.94Å; N382-Y385 PolarHBondContact OD1-N 3.2Å; N382-K386 PolarHBondContact O-N 3.05Å
383	E	93.2	Very high	94.3	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-33	-172.1	-67.2	-57.5	136	0	0	112.4	V285 G381 K386 E387	V285-E383 HydrophobicContact CG1-CB 4.27Å; V285-E383 HydrophobicContact CG2-CB 4.47Å; G381-E383 PolarHBondContact O-N 2.97Å; G381-E383 VanDerWaalsContact O-N 3.11Å; E383-K386 PolarHBondContact O-N 2.89Å; E383-K386 IonicContact OE1-NZ 3.75Å; E383-K386 PolarHBondContact OE1-NZ 3.47Å; E383-E387 PolarHBondContact O-N 2.79Å
384	E	93.9	Very high	94.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-45.9	173.4	170.3	66.8	-160.6	0	0	111.4	N283 I284 V285 Q287 T288 W291 N382 E387 R388	N283-E384 WeakPolarHBondContact CA-OE1 3.46Å; N283-E384 VanDerWaalsContact CA-OE2 3.25Å; N283-E384 WeakPolarHBondContact CA-OE2 3.44Å; N283-E384 VanDerWaalsContact N-CD 3.33Å; N283-E384 PolarHBondContact N-OE1 3.44Å; N283-E384 PolarHBondContact N-OE2 3.5Å; I284-E384 PolarHBondContact N-OE2 3.32Å; V285-E384 PolarHBondContact N-OE2 3.42Å; Q287-E384 HydrophobicContact CB-CB 3.9Å; T288-E384 HydrophobicContact CG2-CG 3.79Å; W291-E384 HydrophobicContact CZ2-CG 4Å; N382-E384 VanDerWaalsContact C-N 3.33Å; N382-E384 PolarHBondContact O-N 2.81Å; N382-E384 WeakPolarHBondContact OD1-CB 3.45Å; E384-E387 PolarHBondContact O-N 3.44Å; E384-R388 WeakPolarHBondContact O-CG 3.38Å; E384-R388 PolarHBondContact O-N 3.33Å; E384-R388 IonicContact OE1-CZ 3.93Å; E384-R388 IonicContact OE1-NE 2.71Å; E384-R388 PolarHBondContact OE1-NE 2.81Å; E384-R388 IonicContact OE1-NH2 2.74Å; E384-R388 PolarHBondContact OE1-NH2 3.15Å
385	Y	95	Very high	94.4	Very high	8 Å²	8	42.1 Å²	42.1	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-38.2	178.8	-163.3	-96	0	0	0	112.2	L271 L272 W291 L369 A373 I378 N382 E387 R388 I389	L271-Y385 HydrophobicContact CD1-CE2 3.95Å; L271-Y385 WeakPolarHBondContact CD2-OH 3.33Å; L271-Y385 HydrophobicContact CG-CE2 3.92Å; L272-Y385 HydrophobicContact CD2-CE2 4Å; W291-Y385 AromaticContact CH2-CD2 3.87Å; W291-Y385 HydrophobicContact CH2-CD2 3.87Å; W291-Y385 AromaticContact CZ2-CD2 3.73Å; W291-Y385 HydrophobicContact CZ2-CD2 3.73Å; W291-Y385 HydrophobicContact CZ2-CG 4.43Å; L369-Y385 WeakPolarHBondContact O-CE1 3.37Å; L369-Y385 PolarHBondContact O-OH 2.94Å; A373-Y385 HydrophobicContact CB-CD1 3.56Å; A373-Y385 HydrophobicContact CB-CE1 3.22Å; A373-Y385 HydrophobicContact CB-CE2 4.36Å; A373-Y385 HydrophobicContact CB-CG 4.26Å; I378-Y385 HydrophobicContact CD1-CD2 3.47Å; I378-Y385 VanDerWaalsContact CD1-CD2 3.47Å; I378-Y385 HydrophobicContact CD1-CE2 3.6Å; I378-Y385 HydrophobicContact CD1-CG 4.21Å; I378-Y385 HydrophobicContact CG2-CG 4.35Å; N382-Y385 PolarHBondContact O-N 2.94Å; N382-Y385 PolarHBondContact OD1-N 3.2Å; Y385-E387 VanDerWaalsContact C-N 3.31Å; Y385-E387 PolarHBondContact O-N 3.29Å; Y385-R388 PolarHBondContact O-N 2.98Å; Y385-I389 HydrophobicContact CD1-CD1 3.69Å; Y385-I389 HydrophobicContact CD1-CG1 3.91Å; Y385-I389 HydrophobicContact CE1-CD1 3.62Å; Y385-I389 HydrophobicContact CE1-CG1 3.73Å; Y385-I389 WeakPolarHBondContact O-CG1 3.35Å; Y385-I389 PolarHBondContact O-N 3.13Å
386	K	94.4	Very high	94.4	Very high	95 Å²	95	41 Å²	41	41%	0.413	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-44.2	173.1	-73.2	179.1	-175.8	166.4	0	111.9	N382 E383 R388 I389 R390	N382-K386 PolarHBondContact O-N 3.05Å; E383-K386 PolarHBondContact O-N 2.89Å; E383-K386 IonicContact OE1-NZ 3.75Å; E383-K386 PolarHBondContact OE1-NZ 3.47Å; K386-R388 VanDerWaalsContact C-N 3.33Å; K386-I389 WeakPolarHBondContact O-CB 3.43Å; K386-I389 PolarHBondContact O-N 3.2Å; K386-R390 PolarHBondContact O-N 3.43Å
387	E	94.7	Very high	94.2	Very high	46 Å²	46	44.7 Å²	44.7	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-37.6	177.4	-177.6	57.8	-169.7	0	0	111.6	I284 E383 E384 Y385 R390 I391	I284-E387 HydrophobicContact CD1-CG 4.05Å; E383-E387 PolarHBondContact O-N 2.79Å; E384-E387 PolarHBondContact O-N 3.44Å; Y385-E387 VanDerWaalsContact C-N 3.31Å; Y385-E387 PolarHBondContact O-N 3.29Å; E387-R390 WeakPolarHBondContact O-CB 3.44Å; E387-R390 PolarHBondContact O-N 2.67Å; E387-R390 IonicContact OE1-CZ 3.57Å; E387-R390 VanDerWaalsContact OE1-CZ 3.3Å; E387-R390 IonicContact OE1-NE 3.61Å; E387-R390 PolarHBondContact OE1-NE 3.17Å; E387-R390 VanDerWaalsContact OE1-NE 3.11Å; E387-R390 IonicContact OE1-NH2 3.6Å; E387-R390 PolarHBondContact OE1-NH2 3.26Å; E387-R390 IonicContact OE2-CZ 2.79Å; E387-R390 IonicContact OE2-NE 3.79Å; E387-R390 PolarHBondContact OE2-NE 2.96Å; E387-R390 IonicContact OE2-NH2 2.71Å; E387-I391 HydrophobicContact CG-CD1 4.29Å; E387-I391 WeakPolarHBondContact O-CG1 3.39Å; E387-I391 PolarHBondContact O-N 3.19Å
388	R	95.4	Very high	94.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-38.5	172.6	-68.3	179.2	-177.4	-144.1	1.9	113	W270 L271 D273 W291 E384 Y385 K386 R390 I391 F392	W270-R388 HydrophobicContact CH2-CB 3.99Å; W270-R388 HydrophobicContact CH2-CG 3.93Å; W270-R388 HydrophobicContact CZ2-CG 4.35Å; W270-R388 HydrophobicContact CZ3-CB 4.12Å; W270-R388 HydrophobicContact CZ3-CG 4.41Å; W270-R388 PolarHBondContact O-NH1 3.4Å; L271-R388 HydrophobicContact CD1-CB 3.72Å; L271-R388 WeakPolarHBondContact O-CD 3.31Å; L271-R388 PolarHBondContact O-NH1 2.93Å; D273-R388 PolarHBondContact O-NH1 3.25Å; D273-R388 PolarHBondContact O-NH2 3.41Å; W291-R388 VanDerWaalsContact CH2-CZ 3.49Å; E384-R388 WeakPolarHBondContact O-CG 3.38Å; E384-R388 PolarHBondContact O-N 3.33Å; E384-R388 IonicContact OE1-CZ 3.93Å; E384-R388 IonicContact OE1-NE 2.71Å; E384-R388 PolarHBondContact OE1-NE 2.81Å; E384-R388 IonicContact OE1-NH2 2.74Å; E384-R388 PolarHBondContact OE1-NH2 3.15Å; Y385-R388 PolarHBondContact O-N 2.98Å; K386-R388 VanDerWaalsContact C-N 3.33Å; R388-R390 VanDerWaalsContact C-N 3.34Å; R388-I391 PolarHBondContact O-N 2.88Å; R388-F392 VanDerWaalsContact O-CB 3.26Å; R388-F392 WeakPolarHBondContact O-CB 3.23Å; R388-F392 PolarHBondContact O-N 3.41Å
389	I	96	Very high	93.9	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.051	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-46.4	172.2	-69.2	173.8	0	0	0	109.9	T366 L369 E370 Y385 K386 I391 F392 T393	T366-I389 HydrophobicContact CG2-CG2 4.04Å; L369-I389 HydrophobicContact CB-CD1 4.11Å; L369-I389 HydrophobicContact CB-CG1 3.95Å; L369-I389 HydrophobicContact CD1-CG1 4.27Å; L369-I389 HydrophobicContact CD1-CG2 4.32Å; E370-I389 HydrophobicContact CG-CD1 3.84Å; Y385-I389 HydrophobicContact CD1-CD1 3.69Å; Y385-I389 HydrophobicContact CD1-CG1 3.91Å; Y385-I389 HydrophobicContact CE1-CD1 3.62Å; Y385-I389 HydrophobicContact CE1-CG1 3.73Å; Y385-I389 WeakPolarHBondContact O-CG1 3.35Å; Y385-I389 PolarHBondContact O-N 3.13Å; K386-I389 WeakPolarHBondContact O-CB 3.43Å; K386-I389 PolarHBondContact O-N 3.2Å; I389-I391 PolarHBondContact O-N 2.99Å; I389-F392 WeakPolarHBondContact O-CB 3.39Å; I389-F392 PolarHBondContact O-N 3.2Å; I389-T393 HydrophobicContact CG2-CG2 4.29Å; I389-T393 WeakPolarHBondContact O-CG2 3.32Å; I389-T393 PolarHBondContact O-N 2.95Å; I389-T393 PolarHBondContact O-OG1 2.94Å
390	R	95.7	Very high	93.7	Very high	99 Å²	99	42.8 Å²	42.8	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-55.4	-51.9	178.1	-169.5	-170.1	70.1	72.1	5.5	110.7	K386 E387 R388 F392 T393 E394	K386-R390 PolarHBondContact O-N 3.43Å; E387-R390 WeakPolarHBondContact O-CB 3.44Å; E387-R390 PolarHBondContact O-N 2.67Å; E387-R390 IonicContact OE1-CZ 3.57Å; E387-R390 VanDerWaalsContact OE1-CZ 3.3Å; E387-R390 IonicContact OE1-NE 3.61Å; E387-R390 PolarHBondContact OE1-NE 3.17Å; E387-R390 VanDerWaalsContact OE1-NE 3.11Å; E387-R390 IonicContact OE1-NH2 3.6Å; E387-R390 PolarHBondContact OE1-NH2 3.26Å; E387-R390 IonicContact OE2-CZ 2.79Å; E387-R390 IonicContact OE2-NE 3.79Å; E387-R390 PolarHBondContact OE2-NE 2.96Å; E387-R390 IonicContact OE2-NH2 2.71Å; R388-R390 VanDerWaalsContact C-N 3.34Å; R390-F392 PolarHBondContact O-N 3.16Å; R390-T393 PolarHBondContact O-N 3Å; R390-T393 PolarHBondContact O-OG1 3.36Å; R390-E394 IonicContact CZ-OE1 2.68Å; R390-E394 IonicContact CZ-OE2 3.8Å; R390-E394 IonicContact NH1-OE1 3.89Å; R390-E394 PolarHBondContact NH1-OE1 2.97Å; R390-E394 IonicContact NH1-OE2 3.26Å; R390-E394 PolarHBondContact NH1-OE2 2.97Å; R390-E394 WeakPolarHBondContact O-CG 3.29Å; R390-E394 PolarHBondContact O-N 3.25Å; R390-E394 VanDerWaalsContact O-N 3.08Å
391	I	96.2	Very high	93.6	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-43.9	177.9	-66.7	167.6	0	0	0	111.4	W270 G281 I284 E387 R388 I389 T393 E394 D395	W270-I391 HydrophobicContact CH2-CB 3.82Å; W270-I391 HydrophobicContact CH2-CD1 4.2Å; W270-I391 HydrophobicContact CH2-CG2 3.56Å; W270-I391 HydrophobicContact CZ2-CG2 4.24Å; W270-I391 HydrophobicContact CZ3-CB 4.43Å; W270-I391 HydrophobicContact CZ3-CG2 4.13Å; G281-I391 WeakPolarHBondContact O-CD1 3.35Å; I284-I391 HydrophobicContact CD1-CD1 4.47Å; E387-I391 HydrophobicContact CG-CD1 4.29Å; E387-I391 WeakPolarHBondContact O-CG1 3.39Å; E387-I391 PolarHBondContact O-N 3.19Å; R388-I391 PolarHBondContact O-N 2.88Å; I389-I391 PolarHBondContact O-N 2.99Å; I391-T393 VanDerWaalsContact C-N 3.32Å; I391-T393 PolarHBondContact O-N 3.49Å; I391-E394 PolarHBondContact O-N 2.72Å; I391-E394 VanDerWaalsContact O-N 3.16Å; I391-D395 PolarHBondContact O-N 2.76Å
392	F	97	Very high	93.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-45.6	177.6	-171.9	-76	0	0	0	111.7	L271 V365 L369 R388 I389 R390 E394 D395 L396 N487 F490 W491	L271-F392 HydrophobicContact CB-CD2 4.36Å; L271-F392 HydrophobicContact CD2-CD2 4.22Å; L271-F392 HydrophobicContact CD2-CE2 4.44Å; V365-F392 HydrophobicContact CG1-CD1 4.31Å; V365-F392 HydrophobicContact CG1-CE1 4.22Å; L369-F392 HydrophobicContact CD1-CB 4.17Å; L369-F392 HydrophobicContact CD1-CD1 3.54Å; L369-F392 HydrophobicContact CD1-CD2 4.42Å; L369-F392 HydrophobicContact CD1-CE1 4Å; L369-F392 HydrophobicContact CD1-CG 3.79Å; R388-F392 VanDerWaalsContact O-CB 3.26Å; R388-F392 WeakPolarHBondContact O-CB 3.23Å; R388-F392 PolarHBondContact O-N 3.41Å; I389-F392 WeakPolarHBondContact O-CB 3.39Å; I389-F392 PolarHBondContact O-N 3.2Å; R390-F392 PolarHBondContact O-N 3.16Å; F392-E394 VanDerWaalsContact C-N 3.32Å; F392-E394 PolarHBondContact O-N 3.38Å; F392-D395 PolarHBondContact O-N 3.12Å; F392-L396 HydrophobicContact CE1-CD2 4.46Å; F392-L396 WeakPolarHBondContact O-CB 3.34Å; F392-L396 PolarHBondContact O-N 3.15Å; F392-N487 HydrophobicContact CD2-CB 3.65Å; F392-N487 WeakPolarHBondContact CD2-OD1 3.45Å; F392-N487 HydrophobicContact CE2-CB 3.56Å; F392-N487 WeakPolarHBondContact CE2-OD1 3.34Å; F392-N487 HydrophobicContact CG-CB 4.28Å; F392-N487 HydrophobicContact CZ-CB 4.17Å; F392-N487 WeakPolarHBondContact CZ-O 3.42Å; F392-F490 AromaticContact CE2-CD1 3.9Å; F392-F490 HydrophobicContact CE2-CD1 3.9Å; F392-F490 HydrophobicContact CZ-CD1 4.18Å; F392-W491 HydrophobicContact CE1-CB 4.09Å; F392-W491 HydrophobicContact CZ-CB 3.98Å
393	T	96.3	Very high	93.4	Very high	18 Å²	18	35 Å²	35	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-33.2	178.6	60.6	0	0	0	0	112.6	I361 V365 I389 R390 I391 K397	I361-T393 HydrophobicContact CG2-CG2 4.03Å; V365-T393 HydrophobicContact CG1-CG2 4.23Å; I389-T393 HydrophobicContact CG2-CG2 4.29Å; I389-T393 WeakPolarHBondContact O-CG2 3.32Å; I389-T393 PolarHBondContact O-N 2.95Å; I389-T393 PolarHBondContact O-OG1 2.94Å; R390-T393 PolarHBondContact O-N 3Å; R390-T393 PolarHBondContact O-OG1 3.36Å; I391-T393 VanDerWaalsContact C-N 3.32Å; I391-T393 PolarHBondContact O-N 3.49Å; T393-K397 VanDerWaalsContact O-CB 3.26Å; T393-K397 WeakPolarHBondContact O-CB 3.33Å; T393-K397 PolarHBondContact O-N 3.3Å
394	E	95.6	Very high	92.9	Very high	98 Å²	98	34.1 Å²	34.1	46%	0.458	16%	0.16	S	C	.	.	H	α-helix	trans	-68.8	-43.6	174	-73.3	177.9	171.7	0	0	112.1	R390 I391 F392 K397 L398	R390-E394 IonicContact CZ-OE1 2.68Å; R390-E394 IonicContact CZ-OE2 3.8Å; R390-E394 IonicContact NH1-OE1 3.89Å; R390-E394 PolarHBondContact NH1-OE1 2.97Å; R390-E394 IonicContact NH1-OE2 3.26Å; R390-E394 PolarHBondContact NH1-OE2 2.97Å; R390-E394 WeakPolarHBondContact O-CG 3.29Å; R390-E394 PolarHBondContact O-N 3.25Å; R390-E394 VanDerWaalsContact O-N 3.08Å; I391-E394 PolarHBondContact O-N 2.72Å; I391-E394 VanDerWaalsContact O-N 3.16Å; F392-E394 VanDerWaalsContact C-N 3.32Å; F392-E394 PolarHBondContact O-N 3.38Å; E394-K397 PolarHBondContact O-N 2.88Å; E394-L398 WeakPolarHBondContact O-CB 3.42Å; E394-L398 PolarHBondContact O-N 3.33Å
395	D	95.4	Very high	92.6	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-47.2	175.4	-70.5	-12.6	0	0	0	111	I391 F392 K397 L398 V399 R483 I484 N487	I391-D395 PolarHBondContact O-N 2.76Å; F392-D395 PolarHBondContact O-N 3.12Å; D395-K397 VanDerWaalsContact C-N 3.32Å; D395-K397 PolarHBondContact O-N 3.03Å; D395-L398 WeakPolarHBondContact O-CB 3.31Å; D395-L398 PolarHBondContact O-N 2.99Å; D395-V399 PolarHBondContact O-N 2.95Å; D395-V399 VanDerWaalsContact O-N 3.08Å; D395-R483 IonicContact OD1-CZ 3.18Å; D395-R483 IonicContact OD1-NE 2.91Å; D395-R483 IonicContact OD1-NH2 2.67Å; D395-R483 PolarHBondContact OD1-NH2 3Å; D395-R483 IonicContact OD2-CZ 3.78Å; D395-R483 IonicContact OD2-NE 3.39Å; D395-R483 PolarHBondContact OD2-NE 3.45Å; D395-R483 IonicContact OD2-NH2 2.82Å; D395-R483 PolarHBondContact OD2-NH2 2.68Å; D395-I484 HydrophobicContact CB-CG1 4.21Å; D395-I484 HydrophobicContact CB-CG2 4.45Å; D395-I484 WeakPolarHBondContact OD1-CG1 3.45Å; D395-N487 HydrophobicContact CB-CB 4.26Å; D395-N487 PolarHBondContact OD2-ND2 2.79Å
396	L	93.8	Very high	92.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-41.8	177.6	-177.5	58.6	0	0	0	111.4	L356 I361 V365 F392 S400 Y488 W491	L356-L396 HydrophobicContact CD1-CD1 4.22Å; L356-L396 HydrophobicContact CD1-CD2 3.97Å; L356-L396 HydrophobicContact CD1-CG 4.22Å; I361-L396 HydrophobicContact CG1-CD2 4.48Å; V365-L396 HydrophobicContact CG1-CD2 4.02Å; V365-L396 HydrophobicContact CG2-CD2 3.84Å; F392-L396 HydrophobicContact CE1-CD2 4.46Å; F392-L396 WeakPolarHBondContact O-CB 3.34Å; F392-L396 PolarHBondContact O-N 3.15Å; L396-S400 WeakPolarHBondContact O-CB 3.5Å; L396-S400 PolarHBondContact O-N 2.86Å; L396-S400 PolarHBondContact O-OG 3.49Å; L396-Y488 HydrophobicContact CD1-CD2 3.87Å; L396-Y488 HydrophobicContact CD1-CE2 4.38Å; L396-W491 HydrophobicContact CD1-CB 4.02Å; L396-W491 HydrophobicContact CD1-CG 3.86Å; L396-W491 HydrophobicContact CD2-CB 4.22Å; L396-W491 HydrophobicContact CD2-CD2 3.86Å; L396-W491 HydrophobicContact CD2-CG 3.64Å; L396-W491 HydrophobicContact CG-CG 4.42Å
397	K	92.6	Very high	91.6	Very high	78 Å²	78	38.3 Å²	38.3	34%	0.339	18%	0.179	S	C	.	.	H	α-helix	trans	-64	-40.7	176.4	179.8	177.2	180	168.2	0	111.9	D358 I361 T393 E394 D395 T401	D358-K397 WeakPolarHBondContact OD1-CD 3.36Å; D358-K397 WeakPolarHBondContact OD1-CE 3.32Å; D358-K397 IonicContact OD1-NZ 3.63Å; D358-K397 PolarHBondContact OD1-NZ 3.35Å; D358-K397 IonicContact OD2-NZ 3.89Å; I361-K397 HydrophobicContact CD1-CB 4.01Å; T393-K397 VanDerWaalsContact O-CB 3.26Å; T393-K397 WeakPolarHBondContact O-CB 3.33Å; T393-K397 PolarHBondContact O-N 3.3Å; E394-K397 PolarHBondContact O-N 2.88Å; D395-K397 VanDerWaalsContact C-N 3.32Å; D395-K397 PolarHBondContact O-N 3.03Å; K397-T401 WeakPolarHBondContact O-CB 3.41Å; K397-T401 PolarHBondContact O-N 3.39Å; K397-T401 PolarHBondContact O-OG1 3.33Å
398	L	92.5	Very high	91.2	Very high	53 Å²	53	45 Å²	45	28%	0.277	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-57.3	177.7	174	65.2	0	0	0	110.5	E394 D395 S400 T401 E402 L472 F476 I484	E394-L398 WeakPolarHBondContact O-CB 3.42Å; E394-L398 PolarHBondContact O-N 3.33Å; D395-L398 WeakPolarHBondContact O-CB 3.31Å; D395-L398 PolarHBondContact O-N 2.99Å; L398-S400 PolarHBondContact O-N 2.68Å; L398-T401 PolarHBondContact O-N 3.39Å; L398-E402 PolarHBondContact O-N 3.43Å; L398-E402 VanDerWaalsContact O-N 3.09Å; L398-L472 HydrophobicContact CD2-CD2 4.17Å; L398-L472 HydrophobicContact CG-CD2 4.4Å; L398-F476 HydrophobicContact CD2-CE2 3.75Å; L398-F476 HydrophobicContact CD2-CZ 3.64Å; L398-I484 HydrophobicContact CD2-CD1 4.05Å
399	V	91.2	Very high	90.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-47.1	-178.8	-179.5	0	0	0	0	111.1	F329 D395 T401 E402 L403 L472 I484 Y488	F329-V399 HydrophobicContact CE1-CG1 4.31Å; D395-V399 PolarHBondContact O-N 2.95Å; D395-V399 VanDerWaalsContact O-N 3.08Å; V399-T401 VanDerWaalsContact C-N 3.25Å; V399-T401 PolarHBondContact O-N 3.28Å; V399-E402 PolarHBondContact O-N 2.93Å; V399-L403 HydrophobicContact CG1-CD1 3.84Å; V399-L403 HydrophobicContact CG1-CG 4.25Å; V399-L403 WeakPolarHBondContact O-CG 3.42Å; V399-L403 PolarHBondContact O-N 3.36Å; V399-L472 HydrophobicContact CG2-CD1 4.25Å; V399-I484 HydrophobicContact CG2-CG2 3.47Å; V399-I484 VanDerWaalsContact CG2-CG2 3.47Å; V399-Y488 HydrophobicContact CB-CD2 3.89Å; V399-Y488 HydrophobicContact CB-CE2 4.39Å; V399-Y488 HydrophobicContact CB-CG 4.24Å; V399-Y488 HydrophobicContact CG1-CD1 4.07Å; V399-Y488 HydrophobicContact CG1-CD2 3.53Å; V399-Y488 HydrophobicContact CG1-CE1 4.25Å; V399-Y488 HydrophobicContact CG1-CE2 3.73Å; V399-Y488 HydrophobicContact CG1-CG 3.72Å
400	S	88	Confident	90	Very high	11 Å²	11	47.9 Å²	47.9	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-36.7	178.4	-56.9	0	0	0	0	112.5	L396 L398 K404	L396-S400 WeakPolarHBondContact O-CB 3.5Å; L396-S400 PolarHBondContact O-N 2.86Å; L396-S400 PolarHBondContact O-OG 3.49Å; L398-S400 PolarHBondContact O-N 2.68Å; S400-K404 WeakPolarHBondContact O-CB 3.23Å; S400-K404 PolarHBondContact O-N 3.32Å
401	T	88	Confident	89.2	Confident	60 Å²	60	50.4 Å²	50.4	37%	0.368	24%	0.244	S	C	.	.	H	α-helix	trans	-69.4	-43.3	178.6	-62.2	0	0	0	0	111.3	K397 L398 V399 K404 K405	K397-T401 WeakPolarHBondContact O-CB 3.41Å; K397-T401 PolarHBondContact O-N 3.39Å; K397-T401 PolarHBondContact O-OG1 3.33Å; L398-T401 PolarHBondContact O-N 3.39Å; V399-T401 VanDerWaalsContact C-N 3.25Å; V399-T401 PolarHBondContact O-N 3.28Å; T401-K404 PolarHBondContact O-N 3.08Å; T401-K405 WeakPolarHBondContact O-CG 3.36Å; T401-K405 PolarHBondContact O-N 3.38Å
402	E	88.4	Confident	88.3	Confident	54 Å²	54	53 Å²	53	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-44.2	177.2	-65.8	-48.9	127.8	0	0	111.9	L398 V399 K404 K405 V406 I468	L398-E402 PolarHBondContact O-N 3.43Å; L398-E402 VanDerWaalsContact O-N 3.09Å; V399-E402 PolarHBondContact O-N 2.93Å; E402-K404 VanDerWaalsContact C-N 3.33Å; E402-K404 PolarHBondContact O-N 3.44Å; E402-K405 WeakPolarHBondContact O-CB 3.37Å; E402-K405 PolarHBondContact O-N 3.04Å; E402-K405 IonicContact OE1-NZ 2.78Å; E402-K405 PolarHBondContact OE1-NZ 3.26Å; E402-K405 IonicContact OE2-NZ 2.96Å; E402-V406 PolarHBondContact O-N 3.24Å; E402-V406 VanDerWaalsContact O-N 3.09Å; E402-I468 HydrophobicContact CB-CG2 4.24Å
403	L	87.9	Confident	87.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-42.9	175.6	-66.9	171.4	0	0	0	111.8	F329 A352 V399 K405 V406 Y407 I468 Y488	F329-L403 HydrophobicContact CD1-CD1 4.31Å; F329-L403 HydrophobicContact CD1-CD2 3.84Å; F329-L403 HydrophobicContact CE1-CD1 4.31Å; F329-L403 HydrophobicContact CE1-CD2 4.18Å; A352-L403 HydrophobicContact CB-CB 4.26Å; V399-L403 HydrophobicContact CG1-CD1 3.84Å; V399-L403 HydrophobicContact CG1-CG 4.25Å; V399-L403 WeakPolarHBondContact O-CG 3.42Å; V399-L403 PolarHBondContact O-N 3.36Å; L403-K405 VanDerWaalsContact C-N 3.35Å; L403-K405 PolarHBondContact O-N 3.47Å; L403-V406 PolarHBondContact O-N 3.27Å; L403-Y407 WeakPolarHBondContact O-CB 3.18Å; L403-Y407 PolarHBondContact O-N 3.42Å; L403-I468 HydrophobicContact CD2-CD1 3.69Å; L403-Y488 HydrophobicContact CD1-CE1 4.37Å; L403-Y488 HydrophobicContact CD1-CE2 4.05Å; L403-Y488 WeakPolarHBondContact CD1-OH 3.45Å
404	K	84.2	Confident	85.8	Confident	71 Å²	71	59.4 Å²	59.4	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-36.2	177.5	-175	172.5	-175.3	167.2	0	112.7	S400 T401 E402 R408	S400-K404 WeakPolarHBondContact O-CB 3.23Å; S400-K404 PolarHBondContact O-N 3.32Å; T401-K404 PolarHBondContact O-N 3.08Å; E402-K404 VanDerWaalsContact C-N 3.33Å; E402-K404 PolarHBondContact O-N 3.44Å; K404-R408 VanDerWaalsContact CE-CZ 3.41Å; K404-R408 WeakPolarHBondContact O-CB 3.23Å; K404-R408 VanDerWaalsContact O-CG 3.27Å; K404-R408 WeakPolarHBondContact O-CG 3.26Å; K404-R408 PolarHBondContact O-N 2.97Å
405	K	86	Confident	84.4	Confident	118 Å²	118	59.8 Å²	59.8	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-47.4	173.2	-75.8	170	-178.1	170	0	110.5	T401 E402 L403 R408 S409	T401-K405 WeakPolarHBondContact O-CG 3.36Å; T401-K405 PolarHBondContact O-N 3.38Å; E402-K405 WeakPolarHBondContact O-CB 3.37Å; E402-K405 PolarHBondContact O-N 3.04Å; E402-K405 IonicContact OE1-NZ 2.78Å; E402-K405 PolarHBondContact OE1-NZ 3.26Å; E402-K405 IonicContact OE2-NZ 2.96Å; L403-K405 VanDerWaalsContact C-N 3.35Å; L403-K405 PolarHBondContact O-N 3.47Å; K405-R408 PolarHBondContact O-N 3.26Å; K405-S409 PolarHBondContact O-N 2.61Å; K405-S409 VanDerWaalsContact O-N 3.09Å
406	V	85.7	Confident	83.5	Confident	20 Å²	20	61.4 Å²	61.4	12%	0.121	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-49.3	178.6	173.7	0	0	0	0	111	E402 L403 R408 S409 T410 Y461 K464 I468	E402-V406 PolarHBondContact O-N 3.24Å; E402-V406 VanDerWaalsContact O-N 3.09Å; L403-V406 PolarHBondContact O-N 3.27Å; V406-R408 VanDerWaalsContact C-N 3.34Å; V406-R408 PolarHBondContact O-N 3.17Å; V406-S409 WeakPolarHBondContact O-CB 3.27Å; V406-S409 PolarHBondContact O-N 3.25Å; V406-S409 PolarHBondContact O-OG 2.71Å; V406-T410 PolarHBondContact O-N 3.36Å; V406-T410 VanDerWaalsContact O-N 3.1Å; V406-T410 PolarHBondContact O-OG1 3Å; V406-Y461 HydrophobicContact CB-CD2 4.48Å; V406-Y461 HydrophobicContact CG1-CD2 3.77Å; V406-Y461 HydrophobicContact CG1-CE2 4.29Å; V406-K464 HydrophobicContact CG1-CB 3.62Å; V406-K464 HydrophobicContact CG1-CD 3.72Å; V406-K464 HydrophobicContact CG1-CG 4.33Å; V406-I468 HydrophobicContact CB-CD1 3.97Å; V406-I468 HydrophobicContact CG1-CD1 4.28Å; V406-I468 HydrophobicContact CG2-CD1 3.55Å; V406-I468 HydrophobicContact CG2-CG1 3.8Å
407	Y	84.4	Confident	82.9	Confident	55 Å²	55	66.7 Å²	66.7	22%	0.216	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-44.1	178.6	-174.5	-91.1	0	0	0	112.5	P348 A352 M353 L403 S409 T410 Y458 Y461	P348-Y407 HydrophobicContact CB-CD2 4.49Å; P348-Y407 HydrophobicContact CG-CD2 4.3Å; P348-Y407 HydrophobicContact CG-CE2 4.17Å; A352-Y407 WeakPolarHBondContact O-CB 3.32Å; M353-Y407 HydrophobicContact CG-CE2 4.17Å; L403-Y407 WeakPolarHBondContact O-CB 3.18Å; L403-Y407 PolarHBondContact O-N 3.42Å; Y407-S409 VanDerWaalsContact C-N 3.3Å; Y407-S409 PolarHBondContact O-N 3.05Å; Y407-T410 PolarHBondContact O-N 3Å; Y407-Y458 HydrophobicContact CE2-CD1 4.15Å; Y407-Y458 AromaticContact CE2-CE1 3.79Å; Y407-Y458 HydrophobicContact CE2-CE1 3.79Å; Y407-Y461 HydrophobicContact CD2-CD2 4.33Å
408	R	84.4	Confident	82.8	Confident	186 Å²	186	70 Å²	70	70%	0.702	34%	0.339	S	S	*	.	H	α-helix	trans	-68.1	-26.9	176.6	-75.5	177	169.9	-172.6	-6.9	113.8	K404 K405 V406 T410	K404-R408 VanDerWaalsContact CE-CZ 3.41Å; K404-R408 WeakPolarHBondContact O-CB 3.23Å; K404-R408 VanDerWaalsContact O-CG 3.27Å; K404-R408 WeakPolarHBondContact O-CG 3.26Å; K404-R408 PolarHBondContact O-N 2.97Å; K405-R408 PolarHBondContact O-N 3.26Å; V406-R408 VanDerWaalsContact C-N 3.34Å; V406-R408 PolarHBondContact O-N 3.17Å; R408-T410 VanDerWaalsContact C-N 3.31Å
409	S	84.8	Confident	82.7	Confident	65 Å²	65	68 Å²	68	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-77.9	-20.2	175.4	79.8	0	0	0	0	112.8	K405 V406 Y407 K464	K405-S409 PolarHBondContact O-N 2.61Å; K405-S409 VanDerWaalsContact O-N 3.09Å; V406-S409 WeakPolarHBondContact O-CB 3.27Å; V406-S409 PolarHBondContact O-N 3.25Å; V406-S409 PolarHBondContact O-OG 2.71Å; Y407-S409 VanDerWaalsContact C-N 3.3Å; Y407-S409 PolarHBondContact O-N 3.05Å; S409-K464 PolarHBondContact OG-NZ 2.51Å; S409-K464 VanDerWaalsContact OG-NZ 3.13Å
410	T	82.3	Confident	82.8	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.037	35%	0.349	C	S	.	.			trans	-82.9	129.2	179.5	-64.8	0	0	0	0	109.9	V406 Y407 R408 P412 D460 Y461	V406-T410 PolarHBondContact O-N 3.36Å; V406-T410 VanDerWaalsContact O-N 3.1Å; V406-T410 PolarHBondContact O-OG1 3Å; Y407-T410 PolarHBondContact O-N 3Å; R408-T410 VanDerWaalsContact C-N 3.31Å; T410-P412 VanDerWaalsContact O-CD 3.25Å; T410-P412 WeakPolarHBondContact O-CD 3.4Å; T410-D460 VanDerWaalsContact CA-OD2 3.3Å; T410-D460 WeakPolarHBondContact CA-OD2 3.41Å; T410-D460 WeakPolarHBondContact CB-OD2 3.2Å; T410-D460 HydrophobicContact CG2-CB 4.02Å; T410-D460 PolarHBondContact OG1-OD2 2.84Å; T410-Y461 WeakPolarHBondContact OG1-CA 3.44Å; T410-Y461 PolarHBondContact OG1-N 3.07Å
411	N	78.9	Confident	83.1	Confident	152 Å²	152	72.2 Å²	72.2	81%	0.813	35%	0.346	S	S	*	.			trans	-92.1	102.1	167.5	-80.5	-33.2	0	0	0	108.4	S413	N411-S413 PolarHBondContact O-N 3.29Å
412	P	76.9	Confident	83.2	Confident	60 Å²	60	70.4 Å²	70.4	39%	0.39	34%	0.339	S	S	.	.			trans	-62.8	135.7	-179.2	-18.7	33.4	0	0	0	109.6	T410 R457 Y458	T410-P412 VanDerWaalsContact O-CD 3.25Å; T410-P412 WeakPolarHBondContact O-CD 3.4Å; P412-R457 CarbonylContact C-O 3.43Å; P412-R457 VanDerWaalsContact CA-O 3.24Å; P412-R457 WeakPolarHBondContact CA-O 3.39Å; P412-Y458 HydrophobicContact CB-CD1 3.83Å; P412-Y458 HydrophobicContact CB-CE1 3.58Å; P412-Y458 HydrophobicContact CG-CD1 3.84Å; P412-Y458 HydrophobicContact CG-CE1 3.49Å; P412-Y458 VanDerWaalsContact CG-CE1 3.49Å
413	S	75.1	Confident	83.4	Confident	24 Å²	24	70.6 Å²	70.6	17%	0.168	34%	0.342	C	S	.	.			trans	-64.3	145.9	173.8	65	0	0	0	0	109.6	N411 W415 R457	N411-S413 PolarHBondContact O-N 3.29Å; S413-W415 WeakPolarHBondContact CB-O 3.3Å; S413-W415 PolarHBondContact O-N 3.04Å; S413-W415 PolarHBondContact OG-O 3.38Å; S413-R457 PolarHBondContact N-O 3.23Å; S413-R457 WeakPolarHBondContact O-CD 3.41Å; S413-R457 WeakPolarHBondContact O-CG 3.4Å; S413-R457 VanDerWaalsContact OG-CA 3.28Å; S413-R457 WeakPolarHBondContact OG-CA 3.35Å
414	K	66	Low	83.5	Confident	130 Å²	130	70.6 Å²	70.6	57%	0.565	34%	0.342	S	S	*	.	S	Bend	trans	-58	-34.4	178.5	-169.5	173.5	-178.8	-177.5	0	112.2	K189	K189-K414 WeakPolarHBondContact O-CE 3.32Å; K189-K414 PolarHBondContact O-NZ 2.95Å
415	W	67	Low	83.6	Confident	105 Å²	105	68.9 Å²	68.9	40%	0.398	34%	0.336	S	S	.	.	S	Bend	trans	-127.1	146.2	179.5	-50.4	110.8	0	0	0	110.1	G191 S413 Q417	G191-W415 VanDerWaalsContact CA-CH2 3.41Å; S413-W415 WeakPolarHBondContact CB-O 3.3Å; S413-W415 PolarHBondContact O-N 3.04Å; S413-W415 PolarHBondContact OG-O 3.38Å; W415-Q417 PolarHBondContact O-N 3.2Å
416	S	75.9	Confident	83.4	Confident	42 Å²	42	68.4 Å²	68.4	29%	0.294	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-58.9	123.1	172.1	-52.1	0	0	0	0	109.6	T456	S416-T456 WeakPolarHBondContact CA-O 3.11Å
417	Q	81.3	Confident	82.9	Confident	111 Å²	111	71.1 Å²	71.1	52%	0.519	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148.5	178.8	-67	176.3	-15.2	0	0	109.3	W415 Y455 T456	W415-Q417 PolarHBondContact O-N 3.2Å; Q417-Y455 VanDerWaalsContact O-CA 3.3Å; Q417-Y455 WeakPolarHBondContact O-CA 3.45Å; Q417-T456 PolarHBondContact N-O 2.7Å; Q417-T456 PolarHBondContact O-N 3.49Å; Q417-T456 VanDerWaalsContact O-N 3.14Å
418	K	89.4	Confident	82.5	Confident	148 Å²	148	70 Å²	70	64%	0.643	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.1	170.8	-175.3	-174.3	176.4	-171.1	0	108	I454 Y455	K418-I454 WeakPolarHBondContact CA-O 3.42Å; K418-Y455 HydrophobicContact CB-CD1 4.13Å; K418-Y455 HydrophobicContact CB-CE1 3.7Å; K418-Y455 HydrophobicContact CG-CE1 3.99Å
419	S	91.1	Very high	82.1	Confident	11 Å²	11	67.4 Å²	67.4	8%	0.077	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	169.5	173.8	-59.7	0	0	0	0	109.4	P453 I454	S419-P453 WeakPolarHBondContact O-CA 3.41Å; S419-I454 PolarHBondContact N-O 2.92Å; S419-I454 WeakPolarHBondContact O-CG1 3.23Å; S419-I454 PolarHBondContact O-N 2.73Å; S419-I454 VanDerWaalsContact O-O 3.14Å
420	K	94.1	Very high	81.9	Confident	97 Å²	97	66.3 Å²	66.3	42%	0.422	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	152.7	171.2	-63	-178.2	171.7	-165.6	0	110.1	G422 D423 S450 D451 Y452	K420-G422 PolarHBondContact O-N 3.31Å; K420-D423 PolarHBondContact N-OD2 3.29Å; K420-D423 VanDerWaalsContact O-CB 3.26Å; K420-D423 WeakPolarHBondContact O-CB 3.47Å; K420-D423 PolarHBondContact O-N 2.81Å; K420-S450 WeakPolarHBondContact CB-O 3.19Å; K420-D451 WeakPolarHBondContact CE-OD1 3.11Å; K420-D451 IonicContact NZ-OD1 3.37Å; K420-D451 PolarHBondContact NZ-OD1 3.4Å; K420-Y452 CarbonylContact C-O 3.56Å; K420-Y452 WeakPolarHBondContact CA-O 3.43Å
421	L	92.8	Very high	82.2	Confident	2 Å²	2	66 Å²	66	1%	0.01	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-59.7	-37.9	177.2	-171	65.5	0	0	0	111.8	D423 L424 W433 L437 F448 D449 Y452 I454	L421-D423 PolarHBondContact O-N 2.8Å; L421-L424 HydrophobicContact CD1-CD1 4.09Å; L421-L424 WeakPolarHBondContact O-CB 3.38Å; L421-L424 WeakPolarHBondContact O-CG 3.36Å; L421-L424 PolarHBondContact O-N 3.08Å; L421-L424 VanDerWaalsContact O-N 3.11Å; L421-W433 HydrophobicContact CD1-CB 3.97Å; L421-W433 HydrophobicContact CG-CB 4.29Å; L421-L437 HydrophobicContact CD1-CD1 3.52Å; L421-L437 HydrophobicContact CD2-CD1 3.93Å; L421-L437 HydrophobicContact CG-CD1 4.4Å; L421-F448 HydrophobicContact CD2-CB 4.02Å; L421-D449 WeakPolarHBondContact CB-O 3.36Å; L421-Y452 PolarHBondContact N-O 3.36Å; L421-I454 HydrophobicContact CB-CG2 4.43Å; L421-I454 HydrophobicContact CD1-CG2 4Å
422	G	91.5	Very high	82.8	Confident	22 Å²	22	61.8 Å²	61.8	23%	0.227	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-62.1	-24.7	175.7	0	0	0	0	0	113.7	K420 L424 N425 S450	K420-G422 PolarHBondContact O-N 3.31Å; G422-L424 PolarHBondContact O-N 3.24Å; G422-L424 VanDerWaalsContact O-N 3.14Å; G422-N425 PolarHBondContact O-N 3.01Å; G422-N425 VanDerWaalsContact O-N 3.12Å; G422-S450 PolarHBondContact N-O 2.87Å
423	D	91.9	Very high	83.5	Confident	57 Å²	57	59 Å²	59	31%	0.305	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14.6	176.9	-58.9	-27.1	0	0	0	112	K420 L421 I426 Q463	K420-D423 PolarHBondContact N-OD2 3.29Å; K420-D423 VanDerWaalsContact O-CB 3.26Å; K420-D423 WeakPolarHBondContact O-CB 3.47Å; K420-D423 PolarHBondContact O-N 2.81Å; L421-D423 PolarHBondContact O-N 2.8Å; D423-I426 WeakPolarHBondContact O-CD1 3.5Å; D423-I426 WeakPolarHBondContact O-CG1 3.4Å; D423-Q463 WeakPolarHBondContact O-CG 3.44Å; D423-Q463 PolarHBondContact O-NE2 2.89Å
424	L	90.4	Very high	84.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-78.6	-19.7	176.2	-56.4	-171.8	0	0	0	113.2	I346 L421 G422 W433 I454 L459 L462	I346-L424 HydrophobicContact CD1-CD1 4.05Å; L421-L424 HydrophobicContact CD1-CD1 4.09Å; L421-L424 WeakPolarHBondContact O-CB 3.38Å; L421-L424 WeakPolarHBondContact O-CG 3.36Å; L421-L424 PolarHBondContact O-N 3.08Å; L421-L424 VanDerWaalsContact O-N 3.11Å; G422-L424 PolarHBondContact O-N 3.24Å; G422-L424 VanDerWaalsContact O-N 3.14Å; L424-W433 HydrophobicContact CB-CD2 4.32Å; L424-W433 HydrophobicContact CB-CG 4.23Å; L424-W433 HydrophobicContact CB-CZ2 4.5Å; L424-W433 HydrophobicContact CD1-CD2 3.55Å; L424-W433 HydrophobicContact CD1-CE3 3.84Å; L424-W433 HydrophobicContact CD1-CG 3.96Å; L424-W433 HydrophobicContact CD1-CH2 4.35Å; L424-W433 HydrophobicContact CD1-CZ2 4.08Å; L424-W433 HydrophobicContact CD1-CZ3 4.24Å; L424-I454 HydrophobicContact CD1-CD1 3.7Å; L424-I454 HydrophobicContact CD2-CD1 3.73Å; L424-I454 HydrophobicContact CG-CD1 3.71Å; L424-L459 HydrophobicContact CD2-CD1 3.7Å; L424-L462 HydrophobicContact CD2-CB 3.79Å; L424-L462 HydrophobicContact CD2-CD1 4.1Å
425	N	85.3	Confident	85.6	Confident	35 Å²	35	54.7 Å²	54.7	19%	0.187	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-99.2	14.8	-175.1	-78	-24.4	0	0	0	113.9	G422 N427 G428 F431	G422-N425 PolarHBondContact O-N 3.01Å; G422-N425 VanDerWaalsContact O-N 3.12Å; N425-N427 PolarHBondContact O-N 3.1Å; N425-N427 VanDerWaalsContact O-N 3.11Å; N425-G428 PolarHBondContact O-N 3.28Å; N425-G428 VanDerWaalsContact O-N 3.1Å; N425-F431 PolarHBondContact OD1-O 3.04Å
426	I	81.9	Confident	86.9	Confident	108 Å²	108	49.7 Å²	49.7	55%	0.554	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.2	-177.3	-67	178.2	0	0	0	112.4	D423 Q463	D423-I426 WeakPolarHBondContact O-CD1 3.5Å; D423-I426 WeakPolarHBondContact O-CG1 3.4Å; I426-Q463 VanDerWaalsContact CD1-NE2 3.28Å
427	N	76.3	Confident	87.7	Confident	77 Å²	77	47.7 Å²	47.7	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	23.9	-177.3	-60	-48.3	0	0	0	113.8	N425 Q463 I467	N425-N427 PolarHBondContact O-N 3.1Å; N425-N427 VanDerWaalsContact O-N 3.11Å; N427-Q463 PolarHBondContact ND2-O 2.68Å; N427-I467 HydrophobicContact CB-CD1 3.67Å; N427-I467 HydrophobicContact CB-CG1 3.66Å
428	G	74.4	Confident	88.3	Confident	31 Å²	31	44 Å²	44	32%	0.32	26%	0.258	S	S	.	.			trans	120	163.3	177	0	0	0	0	0	113.1	N425	N425-G428 PolarHBondContact O-N 3.28Å; N425-G428 VanDerWaalsContact O-N 3.1Å
429	N	77	Confident	88.5	Confident	133 Å²	133	38.3 Å²	38.3	71%	0.711	24%	0.239	S	C	*	.	S	Bend	trans	-103.4	24.3	-173.1	-60.9	-11.6	0	0	0	112.3	F431	N429-F431 PolarHBondContact O-N 3.29Å
430	A	80.1	Confident	88.5	Confident	41 Å²	41	37.8 Å²	37.8	34%	0.339	24%	0.235	S	C	.	.	S	Bend	trans	-63.9	-25	-178.7	0	0	0	0	0	112.2	W313 P466	W313-A430 WeakPolarHBondContact CH2-O 3.43Å; W313-A430 VanDerWaalsContact CZ2-O 3.29Å; W313-A430 WeakPolarHBondContact CZ2-O 3.43Å; A430-P466 HydrophobicContact CB-CB 4.1Å
431	F	88.4	Confident	88.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-108.6	115.2	178.9	-161.5	-82.3	0	0	0	111.2	W313 M314 I317 F329 N425 N429 W433 L436 I465 P466 I469	W313-F431 AromaticContact CH2-CD2 3.96Å; W313-F431 HydrophobicContact CH2-CD2 3.96Å; W313-F431 AromaticContact CZ3-CD2 3.85Å; W313-F431 HydrophobicContact CZ3-CD2 3.85Å; W313-F431 HydrophobicContact CZ3-CE2 4.07Å; M314-F431 HydrophobicContact CE-CE1 4.41Å; M314-F431 HydrophobicContact CE-CZ 4.44Å; M314-F431 HydrophobicContact SD-CD2 4.47Å; I317-F431 HydrophobicContact CD1-CE2 4.16Å; F329-F431 HydrophobicContact CB-CE2 4.43Å; F329-F431 HydrophobicContact CD2-CE2 4.15Å; N425-F431 PolarHBondContact OD1-O 3.04Å; N429-F431 PolarHBondContact O-N 3.29Å; F431-W433 VanDerWaalsContact C-N 3.34Å; F431-W433 AromaticContact CD1-CD1 3.95Å; F431-W433 AromaticContact CD1-CD2 3.45Å; F431-W433 HydrophobicContact CD1-CD2 3.45Å; F431-W433 VanDerWaalsContact CD1-CD2 3.45Å; F431-W433 AromaticContact CD1-CE2 3.4Å; F431-W433 VanDerWaalsContact CD1-CE2 3.4Å; F431-W433 AromaticContact CD1-CE3 3.87Å; F431-W433 HydrophobicContact CD1-CE3 3.87Å; F431-W433 AromaticContact CD1-CG 3.82Å; F431-W433 HydrophobicContact CD1-CG 3.82Å; F431-W433 HydrophobicContact CD1-CH2 4.15Å; F431-W433 AromaticContact CD1-CZ2 3.79Å; F431-W433 HydrophobicContact CD1-CZ2 3.79Å; F431-W433 HydrophobicContact CD1-CZ3 4.19Å; F431-W433 AromaticContact CD1-NE1 3.72Å; F431-W433 AromaticContact CE1-CD2 3.67Å; F431-W433 HydrophobicContact CE1-CD2 3.67Å; F431-W433 AromaticContact CE1-CE2 3.89Å; F431-W433 AromaticContact CE1-CE3 3.55Å; F431-W433 HydrophobicContact CE1-CE3 3.55Å; F431-W433 HydrophobicContact CE1-CG 4.35Å; F431-W433 AromaticContact CE1-CH2 3.86Å; F431-W433 HydrophobicContact CE1-CH2 3.86Å; F431-W433 HydrophobicContact CE1-CZ2 4Å; F431-W433 AromaticContact CE1-CZ3 3.64Å; F431-W433 HydrophobicContact CE1-CZ3 3.64Å; F431-W433 HydrophobicContact CG-CZ2 4.35Å; F431-W433 HydrophobicContact CZ-CH2 4.4Å; F431-W433 HydrophobicContact CZ-CZ3 4.35Å; F431-W433 PolarHBondContact O-N 3.25Å; F431-L436 HydrophobicContact CE1-CD2 3.67Å; F431-L436 HydrophobicContact CZ-CD2 3.72Å; F431-I465 HydrophobicContact CB-CG2 4.5Å; F431-I465 HydrophobicContact CD2-CG2 3.7Å; F431-I465 HydrophobicContact CE2-CG2 4.17Å; F431-I465 HydrophobicContact CG-CG2 4.22Å; F431-P466 HydrophobicContact CB-CG 4.18Å; F431-I469 HydrophobicContact CD2-CD1 3.69Å; F431-I469 HydrophobicContact CE2-CD1 4.39Å
432	D	91.7	Very high	88.2	Confident	64 Å²	64	37.6 Å²	37.6	34%	0.342	24%	0.239	S	C	.	.			trans	-80.9	74.6	-177.8	178	21.5	0	0	0	111.8	M314 K318 S434 G435 L436	M314-D432 HydrophobicContact CE-CB 4.34Å; M314-D432 HydrophobicContact CG-CB 4.13Å; M314-D432 HydrophobicContact SD-CB 4.11Å; K318-D432 WeakPolarHBondContact CE-OD2 3.43Å; K318-D432 IonicContact NZ-OD2 3.89Å; K318-D432 PolarHBondContact NZ-OD2 3.47Å; D432-S434 PolarHBondContact O-N 2.94Å; D432-G435 PolarHBondContact O-N 3.24Å; D432-G435 WeakPolarHBondContact OD1-CA 3.15Å; D432-G435 PolarHBondContact OD1-N 2.79Å; D432-G435 WeakPolarHBondContact OD2-CA 3.15Å; D432-L436 WeakPolarHBondContact O-CB 3.48Å; D432-L436 PolarHBondContact O-N 3.03Å
433	W	92	Very high	87.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-45.6	179	-67.4	104.5	0	0	0	113.1	A330 F332 I346 L421 L424 F431 L436 L437 L462 I465	A330-W433 HydrophobicContact CB-CH2 3.7Å; A330-W433 HydrophobicContact CB-CZ3 3.68Å; F332-W433 HydrophobicContact CE1-CZ3 4.34Å; I346-W433 HydrophobicContact CG2-CZ3 4.19Å; L421-W433 HydrophobicContact CD1-CB 3.97Å; L421-W433 HydrophobicContact CG-CB 4.29Å; L424-W433 HydrophobicContact CB-CD2 4.32Å; L424-W433 HydrophobicContact CB-CG 4.23Å; L424-W433 HydrophobicContact CB-CZ2 4.5Å; L424-W433 HydrophobicContact CD1-CD2 3.55Å; L424-W433 HydrophobicContact CD1-CE3 3.84Å; L424-W433 HydrophobicContact CD1-CG 3.96Å; L424-W433 HydrophobicContact CD1-CH2 4.35Å; L424-W433 HydrophobicContact CD1-CZ2 4.08Å; L424-W433 HydrophobicContact CD1-CZ3 4.24Å; F431-W433 VanDerWaalsContact C-N 3.34Å; F431-W433 AromaticContact CD1-CD1 3.95Å; F431-W433 AromaticContact CD1-CD2 3.45Å; F431-W433 HydrophobicContact CD1-CD2 3.45Å; F431-W433 VanDerWaalsContact CD1-CD2 3.45Å; F431-W433 AromaticContact CD1-CE2 3.4Å; F431-W433 VanDerWaalsContact CD1-CE2 3.4Å; F431-W433 AromaticContact CD1-CE3 3.87Å; F431-W433 HydrophobicContact CD1-CE3 3.87Å; F431-W433 AromaticContact CD1-CG 3.82Å; F431-W433 HydrophobicContact CD1-CG 3.82Å; F431-W433 HydrophobicContact CD1-CH2 4.15Å; F431-W433 AromaticContact CD1-CZ2 3.79Å; F431-W433 HydrophobicContact CD1-CZ2 3.79Å; F431-W433 HydrophobicContact CD1-CZ3 4.19Å; F431-W433 AromaticContact CD1-NE1 3.72Å; F431-W433 AromaticContact CE1-CD2 3.67Å; F431-W433 HydrophobicContact CE1-CD2 3.67Å; F431-W433 AromaticContact CE1-CE2 3.89Å; F431-W433 AromaticContact CE1-CE3 3.55Å; F431-W433 HydrophobicContact CE1-CE3 3.55Å; F431-W433 HydrophobicContact CE1-CG 4.35Å; F431-W433 AromaticContact CE1-CH2 3.86Å; F431-W433 HydrophobicContact CE1-CH2 3.86Å; F431-W433 HydrophobicContact CE1-CZ2 4Å; F431-W433 AromaticContact CE1-CZ3 3.64Å; F431-W433 HydrophobicContact CE1-CZ3 3.64Å; F431-W433 HydrophobicContact CG-CZ2 4.35Å; F431-W433 HydrophobicContact CZ-CH2 4.4Å; F431-W433 HydrophobicContact CZ-CZ3 4.35Å; F431-W433 PolarHBondContact O-N 3.25Å; W433-L436 PolarHBondContact O-N 3.24Å; W433-L437 WeakPolarHBondContact O-CG 3.38Å; W433-L437 PolarHBondContact O-N 3.14Å; W433-L462 HydrophobicContact CH2-CD2 3.88Å; W433-L462 HydrophobicContact CZ2-CB 4.42Å; W433-I465 HydrophobicContact CH2-CD1 3.8Å; W433-I465 HydrophobicContact CZ2-CD1 3.91Å
434	S	92.7	Very high	87.3	Confident	41 Å²	41	39.6 Å²	39.6	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-48.5	-179.7	-59.8	0	0	0	0	111.5	D432 L436 G438 F448	D432-S434 PolarHBondContact O-N 2.94Å; S434-L436 VanDerWaalsContact C-N 3.35Å; S434-G438 PolarHBondContact O-N 3.2Å; S434-F448 VanDerWaalsContact CB-O 3.26Å; S434-F448 WeakPolarHBondContact CB-O 3.3Å; S434-F448 PolarHBondContact OG-O 3.41Å; S434-F448 VanDerWaalsContact OG-O 3.08Å
435	G	92.8	Very high	86.8	Confident	24 Å²	24	50.7 Å²	50.7	25%	0.247	29%	0.285	C	S	.	.	H	α-helix	trans	-69.6	-31.4	178.4	0	0	0	0	0	113	D432 A439	D432-G435 PolarHBondContact O-N 3.24Å; D432-G435 WeakPolarHBondContact OD1-CA 3.15Å; D432-G435 PolarHBondContact OD1-N 2.79Å; D432-G435 WeakPolarHBondContact OD2-CA 3.15Å; G435-A439 VanDerWaalsContact O-CB 3.27Å; G435-A439 WeakPolarHBondContact O-CB 3.11Å; G435-A439 PolarHBondContact O-N 2.71Å
436	L	93.4	Very high	86.7	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-49.5	174.4	-175.7	56.3	0	0	0	111.9	M314 I317 K318 Q321 F332 F431 D432 W433 S434 A439 Y440	M314-L436 HydrophobicContact CE-CB 3.77Å; M314-L436 HydrophobicContact CE-CD1 4.15Å; M314-L436 HydrophobicContact CE-CD2 4.09Å; M314-L436 HydrophobicContact CE-CG 4.23Å; I317-L436 HydrophobicContact CG2-CD1 3.95Å; I317-L436 HydrophobicContact CG2-CD2 4.07Å; K318-L436 HydrophobicContact CB-CD1 4.28Å; K318-L436 HydrophobicContact CG-CD1 3.69Å; Q321-L436 VanDerWaalsContact OE1-CD1 3.29Å; F332-L436 HydrophobicContact CE2-CD2 4.04Å; F332-L436 HydrophobicContact CE2-CG 3.94Å; F332-L436 HydrophobicContact CZ-CD2 3.64Å; F332-L436 HydrophobicContact CZ-CG 3.91Å; F431-L436 HydrophobicContact CE1-CD2 3.67Å; F431-L436 HydrophobicContact CZ-CD2 3.72Å; D432-L436 WeakPolarHBondContact O-CB 3.48Å; D432-L436 PolarHBondContact O-N 3.03Å; W433-L436 PolarHBondContact O-N 3.24Å; S434-L436 VanDerWaalsContact C-N 3.35Å; L436-A439 PolarHBondContact O-N 3.22Å; L436-Y440 WeakPolarHBondContact O-CB 3.35Å; L436-Y440 PolarHBondContact O-N 3.24Å
437	L	93.5	Very high	87	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-41.8	177.1	-67.9	178.3	0	0	0	111.5	F332 L344 L421 W433 A439 Y440 F441 F448	F332-L437 HydrophobicContact CD1-CD2 3.98Å; F332-L437 HydrophobicContact CD2-CD2 4.07Å; F332-L437 HydrophobicContact CE1-CD2 3.74Å; F332-L437 HydrophobicContact CE2-CD2 3.81Å; F332-L437 HydrophobicContact CG-CD2 4.14Å; F332-L437 HydrophobicContact CZ-CD2 3.65Å; F332-L437 HydrophobicContact CZ-CG 4.46Å; L344-L437 HydrophobicContact CD2-CD1 3.69Å; L344-L437 HydrophobicContact CD2-CD2 3.71Å; L344-L437 HydrophobicContact CD2-CG 4.34Å; L421-L437 HydrophobicContact CD1-CD1 3.52Å; L421-L437 HydrophobicContact CD2-CD1 3.93Å; L421-L437 HydrophobicContact CG-CD1 4.4Å; W433-L437 WeakPolarHBondContact O-CG 3.38Å; W433-L437 PolarHBondContact O-N 3.14Å; L437-A439 VanDerWaalsContact C-N 3.3Å; L437-A439 PolarHBondContact O-N 3.31Å; L437-Y440 PolarHBondContact O-N 3.21Å; L437-F441 HydrophobicContact CB-CD2 4.49Å; L437-F441 HydrophobicContact CD2-CD2 4.25Å; L437-F441 HydrophobicContact CD2-CE2 3.94Å; L437-F441 WeakPolarHBondContact O-CB 3.25Å; L437-F441 WeakPolarHBondContact O-CD2 3.26Å; L437-F441 PolarHBondContact O-N 3.11Å; L437-F448 HydrophobicContact CB-CB 4.12Å; L437-F448 HydrophobicContact CB-CD1 3.8Å; L437-F448 HydrophobicContact CB-CD2 3.95Å; L437-F448 HydrophobicContact CB-CE1 4.17Å; L437-F448 HydrophobicContact CB-CE2 4.32Å; L437-F448 HydrophobicContact CB-CG 3.67Å; L437-F448 HydrophobicContact CB-CZ 4.4Å; L437-F448 HydrophobicContact CD1-CD1 3.85Å; L437-F448 HydrophobicContact CD1-CE1 4.39Å; L437-F448 HydrophobicContact CD1-CG 4.35Å; L437-F448 HydrophobicContact CG-CD1 4.45Å
438	G	93.6	Very high	87.7	Confident	33 Å²	33	48.1 Å²	48.1	34%	0.34	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-36.2	175.2	0	0	0	0	0	113.1	S434 D442	S434-G438 PolarHBondContact O-N 3.2Å; G438-D442 WeakPolarHBondContact O-CA 3.45Å; G438-D442 PolarHBondContact O-N 3Å
439	A	93.1	Very high	88.5	Confident	29 Å²	29	50.4 Å²	50.4	24%	0.24	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-40.5	174.6	0	0	0	0	0	112.3	K318 V322 G435 L436 L437 R630	K318-A439 HydrophobicContact CB-CB 4.44Å; K318-A439 HydrophobicContact CG-CB 4.38Å; V322-A439 HydrophobicContact CG2-CB 4.04Å; V322-A439 VanDerWaalsContact CG2-O 3.29Å; V322-A439 WeakPolarHBondContact CG2-O 3.33Å; G435-A439 VanDerWaalsContact O-CB 3.27Å; G435-A439 WeakPolarHBondContact O-CB 3.11Å; G435-A439 PolarHBondContact O-N 2.71Å; L436-A439 PolarHBondContact O-N 3.22Å; L437-A439 VanDerWaalsContact C-N 3.3Å; L437-A439 PolarHBondContact O-N 3.31Å; A439-R630 PolarHBondContact O-NH2 3.22Å
440	Y	92	Very high	89.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.2	-41.1	179.7	-168.6	-85.9	0	0	0	112.4	Q321 N325 F332 L436 L437 R630 Y633 N634	Q321-Y440 HydrophobicContact CB-CD2 4.1Å; Q321-Y440 VanDerWaalsContact O-CE2 3.3Å; Q321-Y440 WeakPolarHBondContact O-CE2 3.35Å; N325-Y440 WeakPolarHBondContact OD1-CE2 3.27Å; N325-Y440 PolarHBondContact OD1-OH 3.2Å; F332-Y440 HydrophobicContact CD2-CG 4.41Å; L436-Y440 WeakPolarHBondContact O-CB 3.35Å; L436-Y440 PolarHBondContact O-N 3.24Å; L437-Y440 PolarHBondContact O-N 3.21Å; Y440-R630 HydrophobicContact CE1-CG 4.31Å; Y440-R630 VanDerWaalsContact O-CZ 3.25Å; Y440-R630 PolarHBondContact O-NE 3.22Å; Y440-R630 PolarHBondContact O-NH2 3.42Å; Y440-Y633 HydrophobicContact CE1-CD2 4.13Å; Y440-N634 PolarHBondContact O-ND2 2.73Å
441	F	91.5	Very high	89.9	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.009	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	43.4	-177.7	-62.1	-75.3	0	0	0	112.3	I334 L344 L437 E443 T444 F448 N634 L637	I334-F441 HydrophobicContact CD1-CE1 4.11Å; I334-F441 HydrophobicContact CD1-CZ 3.87Å; I334-F441 HydrophobicContact CG1-CE1 4.15Å; I334-F441 HydrophobicContact CG1-CZ 4.23Å; L344-F441 HydrophobicContact CD1-CE2 3.96Å; L344-F441 HydrophobicContact CD1-CZ 3.98Å; L437-F441 HydrophobicContact CB-CD2 4.49Å; L437-F441 HydrophobicContact CD2-CD2 4.25Å; L437-F441 HydrophobicContact CD2-CE2 3.94Å; L437-F441 WeakPolarHBondContact O-CB 3.25Å; L437-F441 WeakPolarHBondContact O-CD2 3.26Å; L437-F441 PolarHBondContact O-N 3.11Å; F441-E443 VanDerWaalsContact C-N 3.3Å; F441-E443 PolarHBondContact O-N 2.99Å; F441-T444 HydrophobicContact CB-CG2 3.9Å; F441-T444 HydrophobicContact CD1-CG2 4.44Å; F441-T444 WeakPolarHBondContact O-CB 3.4Å; F441-T444 PolarHBondContact O-N 3.2Å; F441-T444 PolarHBondContact O-OG1 2.96Å; F441-F448 HydrophobicContact CB-CE2 3.66Å; F441-F448 HydrophobicContact CB-CZ 3.63Å; F441-F448 HydrophobicContact CD2-CE1 4.32Å; F441-F448 HydrophobicContact CD2-CE2 4.27Å; F441-F448 AromaticContact CD2-CZ 3.69Å; F441-F448 HydrophobicContact CD2-CZ 3.69Å; F441-F448 HydrophobicContact CG-CE2 4.36Å; F441-F448 AromaticContact CG-CZ 3.88Å; F441-F448 HydrophobicContact CG-CZ 3.88Å; F441-N634 WeakPolarHBondContact CA-OD1 3.46Å; F441-N634 PolarHBondContact O-OD1 3Å; F441-L637 HydrophobicContact CB-CD2 4.32Å; F441-L637 HydrophobicContact CD1-CB 4.49Å; F441-L637 HydrophobicContact CD1-CD2 3.64Å; F441-L637 HydrophobicContact CD2-CD2 4.15Å; F441-L637 HydrophobicContact CE1-CD2 3.87Å; F441-L637 HydrophobicContact CE2-CD2 4.38Å; F441-L637 HydrophobicContact CG-CD2 3.78Å; F441-L637 HydrophobicContact CZ-CD2 4.25Å
442	D	89.4	Confident	90.1	Very high	93 Å²	93	52.2 Å²	52.2	50%	0.497	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.7	-174.3	65.3	-11.1	0	0	0	114.9	G438 R630 N634	G438-D442 WeakPolarHBondContact O-CA 3.45Å; G438-D442 PolarHBondContact O-N 3Å; D442-R630 IonicContact OD1-CZ 3.32Å; D442-R630 VanDerWaalsContact OD1-CZ 3.26Å; D442-R630 IonicContact OD1-NH1 2.92Å; D442-R630 PolarHBondContact OD1-NH1 3.32Å; D442-R630 IonicContact OD1-NH2 2.75Å; D442-R630 PolarHBondContact OD1-NH2 3.47Å; D442-R630 IonicContact OD2-CZ 2.62Å; D442-R630 IonicContact OD2-NH1 3.04Å; D442-R630 IonicContact OD2-NH2 3.27Å; D442-R630 PolarHBondContact OD2-NH2 3.35Å; D442-N634 PolarHBondContact N-OD1 3.44Å
443	E	83.7	Confident	90.1	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.6	173	-62.8	173.1	-170.6	0	0	111.4	F441 N634	F441-E443 VanDerWaalsContact C-N 3.3Å; F441-E443 PolarHBondContact O-N 2.99Å; E443-N634 HydrophobicContact CB-CB 3.75Å; E443-N634 WeakPolarHBondContact CB-OD1 3.23Å; E443-N634 PolarHBondContact N-OD1 2.98Å
444	T	80.4	Confident	90.2	Very high	12 Å²	12	51.5 Å²	51.5	7%	0.074	29%	0.288	C	S	.	.	S	Bend	trans	-93.8	136.2	171.7	75.7	0	0	0	0	110.4	F441 V446 N634 L637	F441-T444 HydrophobicContact CB-CG2 3.9Å; F441-T444 HydrophobicContact CD1-CG2 4.44Å; F441-T444 WeakPolarHBondContact O-CB 3.4Å; F441-T444 PolarHBondContact O-N 3.2Å; F441-T444 PolarHBondContact O-OG1 2.96Å; T444-V446 PolarHBondContact O-N 3.42Å; T444-V446 WeakPolarHBondContact OG1-CB 3.34Å; T444-N634 HydrophobicContact CG2-CB 4.04Å; T444-N634 WeakPolarHBondContact CG2-O 3.41Å; T444-N634 WeakPolarHBondContact CG2-OD1 3.01Å; T444-N634 PolarHBondContact N-OD1 2.85Å; T444-L637 HydrophobicContact CG2-CB 4.22Å; T444-L637 HydrophobicContact CG2-CD2 4.43Å
445	Y	78.9	Confident	90.1	Very high	232 Å²	232	50.7 Å²	50.7	91%	0.91	28%	0.279	S	S	*	.			trans	-76.1	21.8	166.3	-58.7	-76	0	0	0	112
446	V	84.3	Confident	89.9	Confident	43 Å²	43	49.6 Å²	49.6	26%	0.261	27%	0.267	S	S	.	.			trans	-88.4	129.8	-176.9	176.2	0	0	0	0	109	T444 F448 Y452	T444-V446 PolarHBondContact O-N 3.42Å; T444-V446 WeakPolarHBondContact OG1-CB 3.34Å; V446-F448 HydrophobicContact CB-CE2 4.31Å; V446-F448 HydrophobicContact CB-CZ 4.25Å; V446-F448 HydrophobicContact CG1-CD1 4.42Å; V446-F448 HydrophobicContact CG1-CE1 4.04Å; V446-F448 HydrophobicContact CG1-CE2 4.22Å; V446-F448 HydrophobicContact CG1-CZ 3.94Å; V446-Y452 HydrophobicContact CG1-CD2 4Å; V446-Y452 HydrophobicContact CG1-CE2 3.32Å
447	V	87.6	Confident	89.6	Confident	110 Å²	110	54.2 Å²	54.2	67%	0.667	29%	0.285	S	S	*	.			trans	-92.3	117.5	174.5	-177.8	0	0	0	0	109	D449	V447-D449 VanDerWaalsContact C-N 3.33Å; V447-D449 HydrophobicContact CG1-CB 4.37Å; V447-D449 PolarHBondContact O-N 3.03Å
448	F	91.3	Very high	89.4	Confident	13 Å²	13	55 Å²	55	6%	0.057	29%	0.288	C	S	.	.			trans	-89.2	67.1	177.6	-62.3	-80.5	0	0	0	111.4	L344 L421 S434 L437 F441 V446 Y452 L637	L344-F448 HydrophobicContact CD2-CE1 4.31Å; L421-F448 HydrophobicContact CD2-CB 4.02Å; S434-F448 VanDerWaalsContact CB-O 3.26Å; S434-F448 WeakPolarHBondContact CB-O 3.3Å; S434-F448 PolarHBondContact OG-O 3.41Å; S434-F448 VanDerWaalsContact OG-O 3.08Å; L437-F448 HydrophobicContact CB-CB 4.12Å; L437-F448 HydrophobicContact CB-CD1 3.8Å; L437-F448 HydrophobicContact CB-CD2 3.95Å; L437-F448 HydrophobicContact CB-CE1 4.17Å; L437-F448 HydrophobicContact CB-CE2 4.32Å; L437-F448 HydrophobicContact CB-CG 3.67Å; L437-F448 HydrophobicContact CB-CZ 4.4Å; L437-F448 HydrophobicContact CD1-CD1 3.85Å; L437-F448 HydrophobicContact CD1-CE1 4.39Å; L437-F448 HydrophobicContact CD1-CG 4.35Å; L437-F448 HydrophobicContact CG-CD1 4.45Å; F441-F448 HydrophobicContact CB-CE2 3.66Å; F441-F448 HydrophobicContact CB-CZ 3.63Å; F441-F448 HydrophobicContact CD2-CE1 4.32Å; F441-F448 HydrophobicContact CD2-CE2 4.27Å; F441-F448 AromaticContact CD2-CZ 3.69Å; F441-F448 HydrophobicContact CD2-CZ 3.69Å; F441-F448 HydrophobicContact CG-CE2 4.36Å; F441-F448 AromaticContact CG-CZ 3.88Å; F441-F448 HydrophobicContact CG-CZ 3.88Å; V446-F448 HydrophobicContact CB-CE2 4.31Å; V446-F448 HydrophobicContact CB-CZ 4.25Å; V446-F448 HydrophobicContact CG1-CD1 4.42Å; V446-F448 HydrophobicContact CG1-CE1 4.04Å; V446-F448 HydrophobicContact CG1-CE2 4.22Å; V446-F448 HydrophobicContact CG1-CZ 3.94Å; F448-Y452 AromaticContact CD1-CD1 3.89Å; F448-Y452 HydrophobicContact CD1-CD1 3.89Å; F448-Y452 HydrophobicContact CD1-CD2 4.15Å; F448-Y452 AromaticContact CD1-CE1 3.93Å; F448-Y452 HydrophobicContact CD1-CE1 3.93Å; F448-Y452 HydrophobicContact CD1-CE2 4.2Å; F448-Y452 HydrophobicContact CD1-CG 4Å; F448-Y452 HydrophobicContact CE1-CD1 4.3Å; F448-Y452 AromaticContact CE1-CE1 3.84Å; F448-Y452 HydrophobicContact CE1-CE1 3.84Å; F448-Y452 HydrophobicContact CE1-CE2 4.14Å; F448-Y452 AromaticContact CE1-CZ 3.74Å; F448-L637 HydrophobicContact CE1-CD2 4.09Å; F448-L637 HydrophobicContact CZ-CD2 3.71Å
449	D	92.1	Very high	89.2	Confident	79 Å²	79	55.3 Å²	55.3	42%	0.422	28%	0.281	S	S	.	.			trans	-79.3	176.7	174.1	65.5	26.2	0	0	0	112.4	L421 V447 D451 Y452	L421-D449 WeakPolarHBondContact CB-O 3.36Å; V447-D449 VanDerWaalsContact C-N 3.33Å; V447-D449 HydrophobicContact CG1-CB 4.37Å; V447-D449 PolarHBondContact O-N 3.03Å; D449-D451 PolarHBondContact O-N 2.9Å; D449-D451 VanDerWaalsContact O-N 3.16Å; D449-D451 WeakPolarHBondContact OD1-CA 3.28Å; D449-D451 PolarHBondContact OD1-N 3.31Å; D449-Y452 WeakPolarHBondContact O-CB 3.49Å; D449-Y452 PolarHBondContact O-N 3.44Å; D449-Y452 VanDerWaalsContact O-N 3.15Å; D449-Y452 PolarHBondContact OD1-N 2.91Å
450	S	91.9	Very high	89	Confident	74 Å²	74	56.6 Å²	56.6	52%	0.517	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.7	178.6	-60.5	0	0	0	0	113.8	K420 G422	K420-S450 WeakPolarHBondContact CB-O 3.19Å; G422-S450 PolarHBondContact N-O 2.87Å
451	D	93.6	Very high	89	Confident	103 Å²	103	56.6 Å²	56.6	55%	0.551	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.6	-179	-78.7	-45.8	0	0	0	113.1	K420 D449	K420-D451 WeakPolarHBondContact CE-OD1 3.11Å; K420-D451 IonicContact NZ-OD1 3.37Å; K420-D451 PolarHBondContact NZ-OD1 3.4Å; D449-D451 PolarHBondContact O-N 2.9Å; D449-D451 VanDerWaalsContact O-N 3.16Å; D449-D451 WeakPolarHBondContact OD1-CA 3.28Å; D449-D451 PolarHBondContact OD1-N 3.31Å
452	Y	92.9	Very high	88.9	Confident	35 Å²	35	56.5 Å²	56.5	14%	0.137	28%	0.284	C	S	.	.			trans	-57.9	129.4	-179.3	-171	-90.4	0	0	0	112.1	L344 K420 L421 V446 F448 D449 I454	L344-Y452 HydrophobicContact CB-CE1 4.32Å; L344-Y452 HydrophobicContact CD2-CE1 4.12Å; K420-Y452 CarbonylContact C-O 3.56Å; K420-Y452 WeakPolarHBondContact CA-O 3.43Å; L421-Y452 PolarHBondContact N-O 3.36Å; V446-Y452 HydrophobicContact CG1-CD2 4Å; V446-Y452 HydrophobicContact CG1-CE2 3.32Å; F448-Y452 AromaticContact CD1-CD1 3.89Å; F448-Y452 HydrophobicContact CD1-CD1 3.89Å; F448-Y452 HydrophobicContact CD1-CD2 4.15Å; F448-Y452 AromaticContact CD1-CE1 3.93Å; F448-Y452 HydrophobicContact CD1-CE1 3.93Å; F448-Y452 HydrophobicContact CD1-CE2 4.2Å; F448-Y452 HydrophobicContact CD1-CG 4Å; F448-Y452 HydrophobicContact CE1-CD1 4.3Å; F448-Y452 AromaticContact CE1-CE1 3.84Å; F448-Y452 HydrophobicContact CE1-CE1 3.84Å; F448-Y452 HydrophobicContact CE1-CE2 4.14Å; F448-Y452 AromaticContact CE1-CZ 3.74Å; D449-Y452 WeakPolarHBondContact O-CB 3.49Å; D449-Y452 PolarHBondContact O-N 3.44Å; D449-Y452 VanDerWaalsContact O-N 3.15Å; D449-Y452 PolarHBondContact OD1-N 2.91Å; Y452-I454 HydrophobicContact CD1-CG2 4.13Å; Y452-I454 PolarHBondContact O-N 3.02Å
453	P	92.3	Very high	89	Confident	49 Å²	49	53.5 Å²	53.5	32%	0.318	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.1	-176.2	30.7	-34.4	0	0	0	112.4	S419	S419-P453 WeakPolarHBondContact O-CA 3.41Å
454	I	92.6	Very high	89.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161.6	173.4	62.2	167	0	0	0	111	L344 I346 K418 S419 L421 L424 Y452	L344-I454 HydrophobicContact CD2-CG2 4.27Å; I346-I454 HydrophobicContact CD1-CB 4.27Å; I346-I454 HydrophobicContact CD1-CD1 4.07Å; I346-I454 HydrophobicContact CD1-CG2 3.99Å; K418-I454 WeakPolarHBondContact CA-O 3.42Å; S419-I454 PolarHBondContact N-O 2.92Å; S419-I454 WeakPolarHBondContact O-CG1 3.23Å; S419-I454 PolarHBondContact O-N 2.73Å; S419-I454 VanDerWaalsContact O-O 3.14Å; L421-I454 HydrophobicContact CB-CG2 4.43Å; L421-I454 HydrophobicContact CD1-CG2 4Å; L424-I454 HydrophobicContact CD1-CD1 3.7Å; L424-I454 HydrophobicContact CD2-CD1 3.73Å; L424-I454 HydrophobicContact CG-CD1 3.71Å; Y452-I454 HydrophobicContact CD1-CG2 4.13Å; Y452-I454 PolarHBondContact O-N 3.02Å
455	Y	90.6	Very high	89.7	Confident	25 Å²	25	50 Å²	50	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.5	177.5	-63.5	-98.4	0	0	0	110.9	R343 L344 Y345 I346 Q417 K418	R343-Y455 HydrophobicContact CB-CD2 3.73Å; R343-Y455 HydrophobicContact CB-CE2 3.75Å; R343-Y455 HydrophobicContact CG-CD2 3.99Å; R343-Y455 HydrophobicContact CG-CE2 3.47Å; R343-Y455 VanDerWaalsContact CG-CE2 3.47Å; R343-Y455 VanDerWaalsContact CZ-OH 3.3Å; R343-Y455 PolarHBondContact NE-OH 3.41Å; L344-Y455 PolarHBondContact O-N 3.35Å; Y345-Y455 WeakPolarHBondContact CA-O 3.31Å; Y345-Y455 VanDerWaalsContact CD1-CB 3.44Å; Y345-Y455 VanDerWaalsContact CE1-CB 3.43Å; Y345-Y455 HydrophobicContact CE1-CG 4.17Å; I346-Y455 PolarHBondContact N-O 3.11Å; I346-Y455 VanDerWaalsContact N-O 3.1Å; Q417-Y455 VanDerWaalsContact O-CA 3.3Å; Q417-Y455 WeakPolarHBondContact O-CA 3.45Å; K418-Y455 HydrophobicContact CB-CD1 4.13Å; K418-Y455 HydrophobicContact CB-CE1 3.7Å; K418-Y455 HydrophobicContact CG-CE1 3.99Å
456	T	88.8	Confident	90.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.1	178.4	-172.6	0	0	0	0	111.9	I346 S416 Q417 Y458 L459 L462	I346-T456 VanDerWaalsContact O-CB 3.28Å; I346-T456 WeakPolarHBondContact O-CB 3.36Å; I346-T456 PolarHBondContact O-OG1 3.27Å; S416-T456 WeakPolarHBondContact CA-O 3.11Å; Q417-T456 PolarHBondContact N-O 2.7Å; Q417-T456 PolarHBondContact O-N 3.49Å; Q417-T456 VanDerWaalsContact O-N 3.14Å; T456-Y458 PolarHBondContact OG1-N 3.33Å; T456-L459 HydrophobicContact CG2-CB 3.85Å; T456-L459 HydrophobicContact CG2-CD1 4.2Å; T456-L462 HydrophobicContact CG2-CD1 4.04Å
457	R	87.6	Confident	90.3	Very high	96 Å²	96	40.5 Å²	40.5	36%	0.362	21%	0.212	S	C	.	.	S	Bend	trans	-92.5	-12.5	165.8	-67.9	-174.6	-64	162.6	1.4	113	P412 S413	P412-R457 CarbonylContact C-O 3.43Å; P412-R457 VanDerWaalsContact CA-O 3.24Å; P412-R457 WeakPolarHBondContact CA-O 3.39Å; S413-R457 PolarHBondContact N-O 3.23Å; S413-R457 WeakPolarHBondContact O-CD 3.41Å; S413-R457 WeakPolarHBondContact O-CG 3.4Å; S413-R457 VanDerWaalsContact OG-CA 3.28Å; S413-R457 WeakPolarHBondContact OG-CA 3.35Å
458	Y	89.1	Confident	90.2	Very high	18 Å²	18	35.9 Å²	35.9	7%	0.071	18%	0.183	C	C	.	.			trans	-119.7	36.6	-165.2	-58.1	-81.2	0	0	0	110.9	F347 P348 Y407 P412 T456 D460 Y461 L462	F347-Y458 AromaticContact CD1-CD2 3.98Å; F347-Y458 HydrophobicContact CD1-CD2 3.98Å; F347-Y458 AromaticContact CD1-CE2 3.87Å; F347-Y458 HydrophobicContact CD1-CE2 3.87Å; F347-Y458 HydrophobicContact CE1-CE2 4.48Å; P348-Y458 HydrophobicContact CG-CD1 4Å; P348-Y458 HydrophobicContact CG-CD2 3.94Å; P348-Y458 HydrophobicContact CG-CE2 4.46Å; P348-Y458 HydrophobicContact CG-CG 3.68Å; Y407-Y458 HydrophobicContact CE2-CD1 4.15Å; Y407-Y458 AromaticContact CE2-CE1 3.79Å; Y407-Y458 HydrophobicContact CE2-CE1 3.79Å; P412-Y458 HydrophobicContact CB-CD1 3.83Å; P412-Y458 HydrophobicContact CB-CE1 3.58Å; P412-Y458 HydrophobicContact CG-CD1 3.84Å; P412-Y458 HydrophobicContact CG-CE1 3.49Å; P412-Y458 VanDerWaalsContact CG-CE1 3.49Å; T456-Y458 PolarHBondContact OG1-N 3.33Å; Y458-D460 VanDerWaalsContact C-N 3.31Å; Y458-D460 PolarHBondContact O-N 3.12Å; Y458-Y461 WeakPolarHBondContact O-CB 3.39Å; Y458-Y461 PolarHBondContact O-N 2.86Å; Y458-Y461 VanDerWaalsContact O-N 3.08Å; Y458-L462 WeakPolarHBondContact O-CG 3.47Å; Y458-L462 PolarHBondContact O-N 2.99Å
459	L	90.2	Very high	90.1	Very high	39 Å²	39	35.3 Å²	35.3	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-53.3	-48.1	-175.6	-177.9	63.8	0	0	0	112	L424 T456 Y461 L462 Q463	L424-L459 HydrophobicContact CD2-CD1 3.7Å; T456-L459 HydrophobicContact CG2-CB 3.85Å; T456-L459 HydrophobicContact CG2-CD1 4.2Å; L459-Y461 VanDerWaalsContact C-N 3.34Å; L459-Y461 PolarHBondContact O-N 3.11Å; L459-L462 PolarHBondContact O-N 2.92Å; L459-Q463 HydrophobicContact CD1-CG 4.46Å; L459-Q463 WeakPolarHBondContact O-CB 3.24Å; L459-Q463 VanDerWaalsContact O-CG 3.32Å; L459-Q463 WeakPolarHBondContact O-CG 3.5Å; L459-Q463 PolarHBondContact O-N 3.39Å
460	D	89.3	Confident	89.9	Confident	55 Å²	55	32.3 Å²	32.3	29%	0.294	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-37	178.8	169.8	68.1	0	0	0	112.9	T410 Y458 K464	T410-D460 VanDerWaalsContact CA-OD2 3.3Å; T410-D460 WeakPolarHBondContact CA-OD2 3.41Å; T410-D460 WeakPolarHBondContact CB-OD2 3.2Å; T410-D460 HydrophobicContact CG2-CB 4.02Å; T410-D460 PolarHBondContact OG1-OD2 2.84Å; Y458-D460 VanDerWaalsContact C-N 3.31Å; Y458-D460 PolarHBondContact O-N 3.12Å; D460-K464 WeakPolarHBondContact O-CD 3.32Å; D460-K464 VanDerWaalsContact O-CG 3.32Å; D460-K464 WeakPolarHBondContact O-CG 3.29Å; D460-K464 PolarHBondContact O-N 2.91Å; D460-K464 WeakPolarHBondContact OD1-CE 3.31Å; D460-K464 IonicContact OD1-NZ 2.7Å; D460-K464 PolarHBondContact OD1-NZ 2.85Å; D460-K464 IonicContact OD2-NZ 3.16Å; D460-K464 PolarHBondContact OD2-NZ 3.16Å
461	Y	90.4	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-48.2	174.1	166	-87	0	0	0	110.5	F329 P348 A352 V406 Y407 T410 Y458 L459 Q463 K464 I465	F329-Y461 PolarHBondContact O-OH 3.06Å; P348-Y461 HydrophobicContact CB-CD1 3.87Å; P348-Y461 HydrophobicContact CB-CE1 3.48Å; P348-Y461 VanDerWaalsContact CB-CE1 3.48Å; P348-Y461 HydrophobicContact CB-CE2 4.43Å; P348-Y461 HydrophobicContact CB-CG 4.5Å; P348-Y461 HydrophobicContact CG-CD1 3.56Å; P348-Y461 HydrophobicContact CG-CE1 3.74Å; P348-Y461 HydrophobicContact CG-CG 4.06Å; A352-Y461 HydrophobicContact CB-CE2 3.6Å; A352-Y461 WeakPolarHBondContact CB-OH 3.33Å; V406-Y461 HydrophobicContact CB-CD2 4.48Å; V406-Y461 HydrophobicContact CG1-CD2 3.77Å; V406-Y461 HydrophobicContact CG1-CE2 4.29Å; Y407-Y461 HydrophobicContact CD2-CD2 4.33Å; T410-Y461 WeakPolarHBondContact OG1-CA 3.44Å; T410-Y461 PolarHBondContact OG1-N 3.07Å; Y458-Y461 WeakPolarHBondContact O-CB 3.39Å; Y458-Y461 PolarHBondContact O-N 2.86Å; Y458-Y461 VanDerWaalsContact O-N 3.08Å; L459-Y461 VanDerWaalsContact C-N 3.34Å; L459-Y461 PolarHBondContact O-N 3.11Å; Y461-Q463 VanDerWaalsContact C-N 3.31Å; Y461-Q463 PolarHBondContact O-N 3.3Å; Y461-K464 PolarHBondContact O-N 3.38Å; Y461-I465 HydrophobicContact CD1-CD1 4.44Å; Y461-I465 HydrophobicContact CE1-CD1 3.82Å; Y461-I465 HydrophobicContact CE1-CG1 4.12Å; Y461-I465 PolarHBondContact O-N 3.44Å
462	L	90.8	Very high	89.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-37.9	-178.1	-63.1	172	0	0	0	111.6	A330 I346 L424 W433 T456 Y458 L459 K464 I465	A330-L462 HydrophobicContact CB-CD2 4.16Å; I346-L462 HydrophobicContact CB-CD1 3.94Å; I346-L462 HydrophobicContact CG2-CD1 3.65Å; I346-L462 HydrophobicContact CG2-CD2 3.84Å; I346-L462 HydrophobicContact CG2-CG 4.43Å; L424-L462 HydrophobicContact CD2-CB 3.79Å; L424-L462 HydrophobicContact CD2-CD1 4.1Å; W433-L462 HydrophobicContact CH2-CD2 3.88Å; W433-L462 HydrophobicContact CZ2-CB 4.42Å; T456-L462 HydrophobicContact CG2-CD1 4.04Å; Y458-L462 WeakPolarHBondContact O-CG 3.47Å; Y458-L462 PolarHBondContact O-N 2.99Å; L459-L462 PolarHBondContact O-N 2.92Å; L462-K464 PolarHBondContact O-N 3.39Å; L462-I465 HydrophobicContact CD2-CD1 3.88Å; L462-I465 PolarHBondContact O-N 2.77Å
463	Q	91.3	Very high	89.2	Confident	31 Å²	31	29 Å²	29	15%	0.145	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-20.3	174.7	-77.1	172.4	-14.7	0	0	114.2	D423 I426 N427 L459 Y461	D423-Q463 WeakPolarHBondContact O-CG 3.44Å; D423-Q463 PolarHBondContact O-NE2 2.89Å; I426-Q463 VanDerWaalsContact CD1-NE2 3.28Å; N427-Q463 PolarHBondContact ND2-O 2.68Å; L459-Q463 HydrophobicContact CD1-CG 4.46Å; L459-Q463 WeakPolarHBondContact O-CB 3.24Å; L459-Q463 VanDerWaalsContact O-CG 3.32Å; L459-Q463 WeakPolarHBondContact O-CG 3.5Å; L459-Q463 PolarHBondContact O-N 3.39Å; Y461-Q463 VanDerWaalsContact C-N 3.31Å; Y461-Q463 PolarHBondContact O-N 3.3Å
464	K	90	Very high	89.2	Confident	46 Å²	46	35.7 Å²	35.7	20%	0.2	17%	0.165	C	C	.	.	H	α-helix	trans	-95.1	-11.3	179.9	-72.9	170	179.2	162	0	113	V406 S409 D460 Y461 L462 I467 I468	V406-K464 HydrophobicContact CG1-CB 3.62Å; V406-K464 HydrophobicContact CG1-CD 3.72Å; V406-K464 HydrophobicContact CG1-CG 4.33Å; S409-K464 PolarHBondContact OG-NZ 2.51Å; S409-K464 VanDerWaalsContact OG-NZ 3.13Å; D460-K464 WeakPolarHBondContact O-CD 3.32Å; D460-K464 VanDerWaalsContact O-CG 3.32Å; D460-K464 WeakPolarHBondContact O-CG 3.29Å; D460-K464 PolarHBondContact O-N 2.91Å; D460-K464 WeakPolarHBondContact OD1-CE 3.31Å; D460-K464 IonicContact OD1-NZ 2.7Å; D460-K464 PolarHBondContact OD1-NZ 2.85Å; D460-K464 IonicContact OD2-NZ 3.16Å; D460-K464 PolarHBondContact OD2-NZ 3.16Å; Y461-K464 PolarHBondContact O-N 3.38Å; L462-K464 PolarHBondContact O-N 3.39Å; K464-I467 HydrophobicContact CG-CD1 4.29Å; K464-I467 WeakPolarHBondContact O-CB 3.49Å; K464-I467 PolarHBondContact O-N 3.15Å; K464-I468 PolarHBondContact O-N 2.78Å; K464-I468 VanDerWaalsContact O-N 3.15Å
465	I	88.9	Confident	89.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-54.1	-49.2	176.9	-69.7	169.5	0	0	0	111.9	F329 F431 W433 Y461 L462 I467 I468 I469	F329-I465 HydrophobicContact CB-CD1 4.04Å; F329-I465 HydrophobicContact CB-CG1 4.5Å; F329-I465 HydrophobicContact CB-CG2 4.23Å; F329-I465 HydrophobicContact CG-CG2 4.48Å; F431-I465 HydrophobicContact CB-CG2 4.5Å; F431-I465 HydrophobicContact CD2-CG2 3.7Å; F431-I465 HydrophobicContact CE2-CG2 4.17Å; F431-I465 HydrophobicContact CG-CG2 4.22Å; W433-I465 HydrophobicContact CH2-CD1 3.8Å; W433-I465 HydrophobicContact CZ2-CD1 3.91Å; Y461-I465 HydrophobicContact CD1-CD1 4.44Å; Y461-I465 HydrophobicContact CE1-CD1 3.82Å; Y461-I465 HydrophobicContact CE1-CG1 4.12Å; Y461-I465 PolarHBondContact O-N 3.44Å; L462-I465 HydrophobicContact CD2-CD1 3.88Å; L462-I465 PolarHBondContact O-N 2.77Å; I465-I467 PolarHBondContact O-N 2.99Å; I465-I467 VanDerWaalsContact O-N 3.15Å; I465-I468 PolarHBondContact O-N 2.96Å; I465-I468 VanDerWaalsContact O-N 3.1Å; I465-I469 HydrophobicContact CG2-CD1 3.82Å; I465-I469 HydrophobicContact CG2-CG1 4.45Å; I465-I469 PolarHBondContact O-N 2.89Å; I465-I469 VanDerWaalsContact O-N 3.12Å
466	P	88.3	Confident	89.3	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-56.7	-32.4	177.2	-27	36.2	0	0	0	113.5	A430 F431 G470	A430-P466 HydrophobicContact CB-CB 4.1Å; F431-P466 HydrophobicContact CB-CG 4.18Å; P466-G470 PolarHBondContact O-N 3.13Å
467	I	87	Confident	89.6	Confident	71 Å²	71	46.8 Å²	46.8	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-69.9	-43.3	178.3	-56	175.3	0	0	0	110.9	N427 K464 I465 G470 T471	N427-I467 HydrophobicContact CB-CD1 3.67Å; N427-I467 HydrophobicContact CB-CG1 3.66Å; K464-I467 HydrophobicContact CG-CD1 4.29Å; K464-I467 WeakPolarHBondContact O-CB 3.49Å; K464-I467 PolarHBondContact O-N 3.15Å; I465-I467 PolarHBondContact O-N 2.99Å; I465-I467 VanDerWaalsContact O-N 3.15Å; I467-G470 PolarHBondContact O-N 3.37Å; I467-T471 WeakPolarHBondContact O-CB 3.38Å; I467-T471 PolarHBondContact O-N 2.88Å; I467-T471 PolarHBondContact O-OG1 2.91Å
468	I	86	Confident	89.8	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-49.5	179.1	-59.8	173.1	0	0	0	109.4	E402 L403 V406 K464 I465 T471 L472	E402-I468 HydrophobicContact CB-CG2 4.24Å; L403-I468 HydrophobicContact CD2-CD1 3.69Å; V406-I468 HydrophobicContact CB-CD1 3.97Å; V406-I468 HydrophobicContact CG1-CD1 4.28Å; V406-I468 HydrophobicContact CG2-CD1 3.55Å; V406-I468 HydrophobicContact CG2-CG1 3.8Å; K464-I468 PolarHBondContact O-N 2.78Å; K464-I468 VanDerWaalsContact O-N 3.15Å; I465-I468 PolarHBondContact O-N 2.96Å; I465-I468 VanDerWaalsContact O-N 3.1Å; I468-T471 WeakPolarHBondContact O-CB 3.18Å; I468-T471 PolarHBondContact O-N 3.5Å; I468-T471 VanDerWaalsContact O-N 3.09Å; I468-L472 HydrophobicContact CG2-CD1 4.38Å; I468-L472 PolarHBondContact O-N 3.37Å
469	I	88.7	Confident	89.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-49.9	179.6	-64.3	174.7	0	0	0	110.3	W313 F329 F431 I465 T471 L472 E473 M485	W313-I469 HydrophobicContact CH2-CD1 3.61Å; W313-I469 HydrophobicContact CH2-CG2 4.21Å; W313-I469 HydrophobicContact CZ2-CD1 4.11Å; W313-I469 HydrophobicContact CZ2-CG2 3.59Å; W313-I469 HydrophobicContact CZ3-CD1 3.85Å; F329-I469 HydrophobicContact CE2-CD1 4.45Å; F431-I469 HydrophobicContact CD2-CD1 3.69Å; F431-I469 HydrophobicContact CE2-CD1 4.39Å; I465-I469 HydrophobicContact CG2-CD1 3.82Å; I465-I469 HydrophobicContact CG2-CG1 4.45Å; I465-I469 PolarHBondContact O-N 2.89Å; I465-I469 VanDerWaalsContact O-N 3.12Å; I469-T471 PolarHBondContact O-N 3.02Å; I469-T471 VanDerWaalsContact O-N 3.15Å; I469-L472 PolarHBondContact O-N 3.19Å; I469-L472 VanDerWaalsContact O-N 3.1Å; I469-E473 HydrophobicContact CG2-CG 4.44Å; I469-E473 WeakPolarHBondContact O-CG 3.43Å; I469-E473 PolarHBondContact O-N 3.23Å; I469-M485 HydrophobicContact CG1-CE 4.44Å
470	G	87.9	Confident	90.1	Very high	16 Å²	16	48.3 Å²	48.3	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-19.9	176.9	0	0	0	0	0	114	P466 I467 R474	P466-G470 PolarHBondContact O-N 3.13Å; I467-G470 PolarHBondContact O-N 3.37Å; G470-R474 WeakPolarHBondContact O-CB 3.36Å; G470-R474 VanDerWaalsContact O-CG 3.22Å; G470-R474 WeakPolarHBondContact O-CG 3.49Å; G470-R474 PolarHBondContact O-N 3.39Å; G470-R474 PolarHBondContact O-NE 3.12Å
471	T	87.1	Confident	90.4	Very high	45 Å²	45	46 Å²	46	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-79.3	-42.4	173	-59.4	0	0	0	0	111.1	I467 I468 I469 R474 N475	I467-T471 WeakPolarHBondContact O-CB 3.38Å; I467-T471 PolarHBondContact O-N 2.88Å; I467-T471 PolarHBondContact O-OG1 2.91Å; I468-T471 WeakPolarHBondContact O-CB 3.18Å; I468-T471 PolarHBondContact O-N 3.5Å; I468-T471 VanDerWaalsContact O-N 3.09Å; I469-T471 PolarHBondContact O-N 3.02Å; I469-T471 VanDerWaalsContact O-N 3.15Å; T471-R474 PolarHBondContact O-N 3.36Å; T471-N475 WeakPolarHBondContact CG2-ND2 3.41Å; T471-N475 WeakPolarHBondContact O-CB 3.42Å; T471-N475 PolarHBondContact O-N 3.02Å; T471-N475 PolarHBondContact O-ND2 3.37Å
472	L	87.1	Confident	90.6	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-44.8	173.7	-66.5	172.9	0	0	0	111.1	L398 V399 I468 I469 R474 N475 F476 M485	L398-L472 HydrophobicContact CD2-CD2 4.17Å; L398-L472 HydrophobicContact CG-CD2 4.4Å; V399-L472 HydrophobicContact CG2-CD1 4.25Å; I468-L472 HydrophobicContact CG2-CD1 4.38Å; I468-L472 PolarHBondContact O-N 3.37Å; I469-L472 PolarHBondContact O-N 3.19Å; I469-L472 VanDerWaalsContact O-N 3.1Å; L472-R474 VanDerWaalsContact C-N 3.3Å; L472-R474 PolarHBondContact O-N 3.24Å; L472-N475 PolarHBondContact O-N 3.21Å; L472-F476 HydrophobicContact CD2-CE2 4.27Å; L472-F476 WeakPolarHBondContact O-CD2 3.36Å; L472-F476 PolarHBondContact O-N 2.81Å; L472-M485 HydrophobicContact CD1-SD 3.96Å
473	E	89.8	Confident	90.8	Very high	92 Å²	92	48.8 Å²	48.8	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-66	-29.1	179.3	-70.1	178.9	158.5	0	0	113.4	W313 I469	W313-E473 PolarHBondContact NE1-OE1 3.04Å; I469-E473 HydrophobicContact CG2-CG 4.44Å; I469-E473 WeakPolarHBondContact O-CG 3.43Å; I469-E473 PolarHBondContact O-N 3.23Å
474	R	91.2	Very high	91	Very high	189 Å²	189	47.3 Å²	47.3	71%	0.713	23%	0.233	S	C	*	.	H	α-helix	trans	-84	-32.1	178.4	-76.6	-177.5	-63.9	-169.3	4.1	113.8	G470 T471 L472	G470-R474 WeakPolarHBondContact O-CB 3.36Å; G470-R474 VanDerWaalsContact O-CG 3.22Å; G470-R474 WeakPolarHBondContact O-CG 3.49Å; G470-R474 PolarHBondContact O-N 3.39Å; G470-R474 PolarHBondContact O-NE 3.12Å; T471-R474 PolarHBondContact O-N 3.36Å; L472-R474 VanDerWaalsContact C-N 3.3Å; L472-R474 PolarHBondContact O-N 3.24Å
475	N	93.1	Very high	91.2	Very high	111 Å²	111	45.4 Å²	45.4	59%	0.594	23%	0.225	S	C	*	.	H	α-helix	trans	-82.7	-15.2	-173.4	-72.8	-6.6	0	0	0	113.5	T471 L472	T471-N475 WeakPolarHBondContact CG2-ND2 3.41Å; T471-N475 WeakPolarHBondContact O-CB 3.42Å; T471-N475 PolarHBondContact O-N 3.02Å; T471-N475 PolarHBondContact O-ND2 3.37Å; L472-N475 PolarHBondContact O-N 3.21Å
476	F	93.6	Very high	91.6	Very high	74 Å²	74	45.4 Å²	45.4	33%	0.325	22%	0.224	S	C	.	.	S	Bend	trans	-128.7	159	-175.1	-61.3	-76.5	0	0	0	111.3	L398 L472 V480 A481 I484	L398-F476 HydrophobicContact CD2-CE2 3.75Å; L398-F476 HydrophobicContact CD2-CZ 3.64Å; L472-F476 HydrophobicContact CD2-CE2 4.27Å; L472-F476 WeakPolarHBondContact O-CD2 3.36Å; L472-F476 PolarHBondContact O-N 2.81Å; F476-V480 HydrophobicContact CB-CB 4.12Å; F476-V480 HydrophobicContact CB-CG1 3.96Å; F476-V480 HydrophobicContact CD1-CG1 3.72Å; F476-V480 HydrophobicContact CG-CG1 4.04Å; F476-A481 HydrophobicContact CB-CB 4.27Å; F476-I484 HydrophobicContact CD1-CD1 4.16Å; F476-I484 HydrophobicContact CD2-CD1 3.69Å; F476-I484 HydrophobicContact CE1-CD1 4.23Å; F476-I484 HydrophobicContact CE2-CD1 3.8Å; F476-I484 HydrophobicContact CG-CD1 3.89Å; F476-I484 HydrophobicContact CZ-CD1 4.07Å
477	T	93.5	Very high	92	Very high	73 Å²	73	45.2 Å²	45.2	45%	0.448	22%	0.223	S	C	.	.			trans	-62.8	154.8	166.7	61.3	0	0	0	0	109.2	S479 V480 A481	T477-S479 VanDerWaalsContact C-N 3.26Å; T477-S479 PolarHBondContact O-N 2.88Å; T477-S479 PolarHBondContact OG1-OG 3.05Å; T477-S479 VanDerWaalsContact OG1-OG 3.14Å; T477-V480 PolarHBondContact O-N 3.42Å; T477-V480 VanDerWaalsContact OG1-CG2 3.32Å; T477-V480 WeakPolarHBondContact OG1-CG2 3.45Å; T477-A481 PolarHBondContact O-N 3Å
478	K	92	Very high	92.3	Very high	139 Å²	139	41.9 Å²	41.9	60%	0.604	21%	0.206	S	C	*	.	H	α-helix	trans	-51.2	-46.6	-179.7	-177.5	178.2	178.3	-176.9	0	112.3	V480 A481 D482	K478-V480 VanDerWaalsContact C-N 3.33Å; K478-V480 PolarHBondContact O-N 2.79Å; K478-A481 PolarHBondContact O-N 2.87Å; K478-D482 WeakPolarHBondContact O-CB 3.38Å; K478-D482 PolarHBondContact O-N 3.03Å
479	S	92.4	Very high	92.8	Very high	27 Å²	27	41.2 Å²	41.2	19%	0.189	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-38.7	-179.9	61	0	0	0	0	113.2	E279 T477 R483	E279-S479 WeakPolarHBondContact CG-OG 3.5Å; E279-S479 PolarHBondContact OE1-OG 3.38Å; T477-S479 VanDerWaalsContact C-N 3.26Å; T477-S479 PolarHBondContact O-N 2.88Å; T477-S479 PolarHBondContact OG1-OG 3.05Å; T477-S479 VanDerWaalsContact OG1-OG 3.14Å; S479-R483 PolarHBondContact O-N 3.33Å; S479-R483 VanDerWaalsContact O-N 3.13Å
480	V	94.6	Very high	93.2	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-76.7	-39.7	178.2	174.8	0	0	0	0	111.1	E279 F476 T477 K478 D482 R483 I484	E279-V480 WeakPolarHBondContact O-CG2 3.3Å; F476-V480 HydrophobicContact CB-CB 4.12Å; F476-V480 HydrophobicContact CB-CG1 3.96Å; F476-V480 HydrophobicContact CD1-CG1 3.72Å; F476-V480 HydrophobicContact CG-CG1 4.04Å; T477-V480 PolarHBondContact O-N 3.42Å; T477-V480 VanDerWaalsContact OG1-CG2 3.32Å; T477-V480 WeakPolarHBondContact OG1-CG2 3.45Å; K478-V480 VanDerWaalsContact C-N 3.33Å; K478-V480 PolarHBondContact O-N 2.79Å; V480-D482 VanDerWaalsContact C-N 3.35Å; V480-R483 WeakPolarHBondContact O-CB 3.43Å; V480-R483 PolarHBondContact O-N 3.15Å; V480-I484 HydrophobicContact CG1-CD1 3.95Å; V480-I484 WeakPolarHBondContact O-CD1 3.21Å; V480-I484 VanDerWaalsContact O-CG1 3.29Å; V480-I484 WeakPolarHBondContact O-CG1 3.42Å; V480-I484 PolarHBondContact O-N 3.1Å
481	A	94.2	Very high	93.5	Very high	6 Å²	6	40.4 Å²	40.4	5%	0.05	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-44.1	173.6	0	0	0	0	0	111.4	F476 T477 K478 R483 I484 M485	F476-A481 HydrophobicContact CB-CB 4.27Å; T477-A481 PolarHBondContact O-N 3Å; K478-A481 PolarHBondContact O-N 2.87Å; A481-R483 VanDerWaalsContact C-N 3.34Å; A481-R483 PolarHBondContact O-N 2.94Å; A481-I484 PolarHBondContact O-N 3.44Å; A481-M485 WeakPolarHBondContact O-CG 3.37Å; A481-M485 PolarHBondContact O-N 3.21Å
482	D	94.8	Very high	93.7	Very high	29 Å²	29	38.6 Å²	38.6	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-43.1	176	-71	-16.7	0	0	0	111.1	W311 K478 V480 M485 N486	W311-D482 HydrophobicContact CE3-CB 3.75Å; W311-D482 HydrophobicContact CZ3-CB 3.94Å; K478-D482 WeakPolarHBondContact O-CB 3.38Å; K478-D482 PolarHBondContact O-N 3.03Å; V480-D482 VanDerWaalsContact C-N 3.35Å; D482-M485 PolarHBondContact O-N 3.17Å; D482-N486 WeakPolarHBondContact O-CB 3.32Å; D482-N486 PolarHBondContact O-N 2.96Å
483	R	95.4	Very high	94.1	Very high	29 Å²	29	38.3 Å²	38.3	11%	0.109	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-51.6	173.3	180	-165.1	80.2	-161.4	-0.2	112.1	W270 T280 D395 S479 V480 A481 M485 N486 N487	W270-R483 HydrophobicContact CB-CG 4.32Å; W270-R483 HydrophobicContact CD2-CG 3.49Å; W270-R483 VanDerWaalsContact CD2-CG 3.49Å; W270-R483 VanDerWaalsContact CE2-CD 3.4Å; W270-R483 HydrophobicContact CE3-CG 3.92Å; W270-R483 HydrophobicContact CG-CB 4.41Å; W270-R483 HydrophobicContact CG-CG 3.65Å; W270-R483 HydrophobicContact CZ2-CG 4.31Å; W270-R483 HydrophobicContact CZ3-CG 4.48Å; T280-R483 WeakPolarHBondContact O-CD 3.34Å; T280-R483 PolarHBondContact O-NH1 2.98Å; D395-R483 IonicContact OD1-CZ 3.18Å; D395-R483 IonicContact OD1-NE 2.91Å; D395-R483 IonicContact OD1-NH2 2.67Å; D395-R483 PolarHBondContact OD1-NH2 3Å; D395-R483 IonicContact OD2-CZ 3.78Å; D395-R483 IonicContact OD2-NE 3.39Å; D395-R483 PolarHBondContact OD2-NE 3.45Å; D395-R483 IonicContact OD2-NH2 2.82Å; D395-R483 PolarHBondContact OD2-NH2 2.68Å; S479-R483 PolarHBondContact O-N 3.33Å; S479-R483 VanDerWaalsContact O-N 3.13Å; V480-R483 WeakPolarHBondContact O-CB 3.43Å; V480-R483 PolarHBondContact O-N 3.15Å; A481-R483 VanDerWaalsContact C-N 3.34Å; A481-R483 PolarHBondContact O-N 2.94Å; R483-M485 VanDerWaalsContact C-N 3.29Å; R483-M485 PolarHBondContact O-N 3.2Å; R483-N486 PolarHBondContact O-N 3.37Å; R483-N487 WeakPolarHBondContact O-CB 3.46Å; R483-N487 PolarHBondContact O-N 2.84Å
484	I	95.8	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-46.9	-177.6	-70.6	161.3	0	0	0	110.1	D395 L398 V399 F476 V480 A481 N487 Y488	D395-I484 HydrophobicContact CB-CG1 4.21Å; D395-I484 HydrophobicContact CB-CG2 4.45Å; D395-I484 WeakPolarHBondContact OD1-CG1 3.45Å; L398-I484 HydrophobicContact CD2-CD1 4.05Å; V399-I484 HydrophobicContact CG2-CG2 3.47Å; V399-I484 VanDerWaalsContact CG2-CG2 3.47Å; F476-I484 HydrophobicContact CD1-CD1 4.16Å; F476-I484 HydrophobicContact CD2-CD1 3.69Å; F476-I484 HydrophobicContact CE1-CD1 4.23Å; F476-I484 HydrophobicContact CE2-CD1 3.8Å; F476-I484 HydrophobicContact CG-CD1 3.89Å; F476-I484 HydrophobicContact CZ-CD1 4.07Å; V480-I484 HydrophobicContact CG1-CD1 3.95Å; V480-I484 WeakPolarHBondContact O-CD1 3.21Å; V480-I484 VanDerWaalsContact O-CG1 3.29Å; V480-I484 WeakPolarHBondContact O-CG1 3.42Å; V480-I484 PolarHBondContact O-N 3.1Å; A481-I484 PolarHBondContact O-N 3.44Å; I484-N487 PolarHBondContact O-N 2.81Å; I484-Y488 PolarHBondContact O-N 2.76Å
485	M	94.4	Very high	94.2	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.03	13%	0.129	C	C	.	.	H	α-helix	trans	-68.3	-41.2	179.5	-66.9	-66.2	-76.5	0	0	112	W311 W313 F329 I469 L472 A481 D482 R483 Y488 M489	W311-M485 HydrophobicContact CH2-CB 3.81Å; W311-M485 HydrophobicContact CZ3-CB 4.16Å; W313-M485 HydrophobicContact CB-CB 4.21Å; W313-M485 HydrophobicContact CB-CE 4.13Å; W313-M485 HydrophobicContact CD2-CE 3.98Å; W313-M485 HydrophobicContact CE3-CE 4.14Å; W313-M485 HydrophobicContact CG-CE 3.97Å; F329-M485 HydrophobicContact CE2-CE 3.57Å; F329-M485 HydrophobicContact CZ-CE 3.53Å; F329-M485 HydrophobicContact CZ-SD 4Å; I469-M485 HydrophobicContact CG1-CE 4.44Å; L472-M485 HydrophobicContact CD1-SD 3.96Å; A481-M485 WeakPolarHBondContact O-CG 3.37Å; A481-M485 PolarHBondContact O-N 3.21Å; D482-M485 PolarHBondContact O-N 3.17Å; R483-M485 VanDerWaalsContact C-N 3.29Å; R483-M485 PolarHBondContact O-N 3.2Å; M485-Y488 PolarHBondContact O-N 3.18Å; M485-M489 HydrophobicContact CB-CE 4.3Å; M485-M489 WeakPolarHBondContact O-CB 3.31Å; M485-M489 VanDerWaalsContact O-CE 3.31Å; M485-M489 WeakPolarHBondContact O-CE 3.2Å; M485-M489 WeakPolarHBondContact O-CG 3.48Å; M485-M489 PolarHBondContact O-N 2.77Å
486	N	96.5	Very high	93.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.9	-45.4	175.2	-174.4	-98.9	0	0	0	111.4	G268 W270 M307 W311 D482 R483 M489 F490	G268-N486 PolarHBondContact O-ND2 3.4Å; W270-N486 PolarHBondContact N-OD1 3.02Å; M307-N486 HydrophobicContact CE-CB 4.08Å; M307-N486 HydrophobicContact SD-CB 4.32Å; W311-N486 HydrophobicContact CH2-CB 4.13Å; W311-N486 HydrophobicContact CZ2-CB 3.87Å; D482-N486 WeakPolarHBondContact O-CB 3.32Å; D482-N486 PolarHBondContact O-N 2.96Å; R483-N486 PolarHBondContact O-N 3.37Å; N486-M489 PolarHBondContact O-N 2.86Å; N486-F490 VanDerWaalsContact O-CB 3.26Å; N486-F490 WeakPolarHBondContact O-CB 3.47Å; N486-F490 PolarHBondContact O-N 3.36Å
487	N	96.5	Very high	93.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.6	-44.7	177.9	-75.1	-15.3	0	0	0	111.9	F392 D395 R483 I484 F490 W491	F392-N487 HydrophobicContact CD2-CB 3.65Å; F392-N487 WeakPolarHBondContact CD2-OD1 3.45Å; F392-N487 HydrophobicContact CE2-CB 3.56Å; F392-N487 WeakPolarHBondContact CE2-OD1 3.34Å; F392-N487 HydrophobicContact CG-CB 4.28Å; F392-N487 HydrophobicContact CZ-CB 4.17Å; F392-N487 WeakPolarHBondContact CZ-O 3.42Å; D395-N487 HydrophobicContact CB-CB 4.26Å; D395-N487 PolarHBondContact OD2-ND2 2.79Å; R483-N487 WeakPolarHBondContact O-CB 3.46Å; R483-N487 PolarHBondContact O-N 2.84Å; I484-N487 PolarHBondContact O-N 2.81Å; N487-F490 PolarHBondContact O-N 3.08Å; N487-W491 PolarHBondContact O-N 3.32Å
488	Y	94.4	Very high	93.7	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-60.2	-48.7	176.1	-179.1	-109	0	0	0	112.2	T328 F329 D349 L396 V399 L403 I484 M485 F490 W491 N492	T328-Y488 HydrophobicContact CG2-CD1 4.09Å; T328-Y488 HydrophobicContact CG2-CE1 3.89Å; F329-Y488 HydrophobicContact CD1-CE1 4.13Å; F329-Y488 HydrophobicContact CE1-CD1 4.06Å; F329-Y488 AromaticContact CE1-CE1 3.66Å; F329-Y488 HydrophobicContact CE1-CE1 3.66Å; F329-Y488 HydrophobicContact CE2-CD1 4.5Å; F329-Y488 HydrophobicContact CE2-CE1 4.44Å; F329-Y488 AromaticContact CZ-CD1 3.82Å; F329-Y488 HydrophobicContact CZ-CD1 3.82Å; F329-Y488 AromaticContact CZ-CE1 3.83Å; F329-Y488 HydrophobicContact CZ-CE1 3.83Å; D349-Y488 PolarHBondContact OD2-OH 3.17Å; L396-Y488 HydrophobicContact CD1-CD2 3.87Å; L396-Y488 HydrophobicContact CD1-CE2 4.38Å; V399-Y488 HydrophobicContact CB-CD2 3.89Å; V399-Y488 HydrophobicContact CB-CE2 4.39Å; V399-Y488 HydrophobicContact CB-CG 4.24Å; V399-Y488 HydrophobicContact CG1-CD1 4.07Å; V399-Y488 HydrophobicContact CG1-CD2 3.53Å; V399-Y488 HydrophobicContact CG1-CE1 4.25Å; V399-Y488 HydrophobicContact CG1-CE2 3.73Å; V399-Y488 HydrophobicContact CG1-CG 3.72Å; L403-Y488 HydrophobicContact CD1-CE1 4.37Å; L403-Y488 HydrophobicContact CD1-CE2 4.05Å; L403-Y488 WeakPolarHBondContact CD1-OH 3.45Å; I484-Y488 PolarHBondContact O-N 2.76Å; M485-Y488 PolarHBondContact O-N 3.18Å; Y488-F490 PolarHBondContact O-N 3.06Å; Y488-W491 PolarHBondContact O-N 3.19Å; Y488-N492 VanDerWaalsContact CE1-ND2 3.31Å; Y488-N492 WeakPolarHBondContact CE1-ND2 3.02Å; Y488-N492 PolarHBondContact O-N 2.97Å
489	M	95.1	Very high	93.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.5	-40	178	-73.5	-174.3	-74.3	0	0	112.3	L266 W311 W313 I317 L320 T328 M485 N486 W491 N492 V493	L266-M489 HydrophobicContact CD2-CB 3.92Å; W311-M489 HydrophobicContact CH2-CE 3.25Å; W311-M489 HydrophobicContact CZ2-CE 3.27Å; W313-M489 HydrophobicContact CB-CE 3.89Å; I317-M489 HydrophobicContact CD1-SD 4.49Å; I317-M489 HydrophobicContact CG1-SD 3.62Å; L320-M489 HydrophobicContact CD1-CB 4.07Å; T328-M489 HydrophobicContact CG2-CG 3.69Å; T328-M489 HydrophobicContact CG2-SD 4.5Å; M485-M489 HydrophobicContact CB-CE 4.3Å; M485-M489 WeakPolarHBondContact O-CB 3.31Å; M485-M489 VanDerWaalsContact O-CE 3.31Å; M485-M489 WeakPolarHBondContact O-CE 3.2Å; M485-M489 WeakPolarHBondContact O-CG 3.48Å; M485-M489 PolarHBondContact O-N 2.77Å; N486-M489 PolarHBondContact O-N 2.86Å; M489-W491 VanDerWaalsContact C-N 3.31Å; M489-W491 PolarHBondContact O-N 3.34Å; M489-N492 PolarHBondContact O-N 2.71Å; M489-V493 WeakPolarHBondContact O-CG2 3.44Å; M489-V493 PolarHBondContact O-N 2.98Å; M489-V493 VanDerWaalsContact O-N 3.1Å
490	F	96.8	Very high	93.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64.3	-38.7	176.9	-174.3	-128.3	0	0	0	111.6	M259 V262 L266 I269 L271 L372 F392 N486 N487 Y488 V493 L494	M259-F490 HydrophobicContact CE-CE2 3.71Å; M259-F490 HydrophobicContact CE-CZ 3.89Å; M259-F490 HydrophobicContact SD-CE2 3.88Å; M259-F490 HydrophobicContact SD-CZ 3.77Å; V262-F490 HydrophobicContact CG1-CD2 4.28Å; V262-F490 HydrophobicContact CG1-CE2 4.36Å; L266-F490 HydrophobicContact CD1-CB 4.03Å; L266-F490 HydrophobicContact CD1-CD2 3.83Å; L266-F490 HydrophobicContact CD1-CG 4.35Å; I269-F490 HydrophobicContact CD1-CD2 4Å; I269-F490 HydrophobicContact CD1-CE2 3.66Å; I269-F490 HydrophobicContact CD1-CZ 4.18Å; I269-F490 HydrophobicContact CG1-CD2 4.45Å; I269-F490 HydrophobicContact CG2-CD1 3.92Å; I269-F490 HydrophobicContact CG2-CD2 4.3Å; I269-F490 HydrophobicContact CG2-CE1 3.9Å; I269-F490 HydrophobicContact CG2-CE2 4.3Å; I269-F490 HydrophobicContact CG2-CG 4.13Å; I269-F490 HydrophobicContact CG2-CZ 4.1Å; L271-F490 HydrophobicContact CD2-CE1 4.16Å; L372-F490 HydrophobicContact CD2-CE1 3.75Å; L372-F490 HydrophobicContact CD2-CZ 3.71Å; F392-F490 AromaticContact CE2-CD1 3.9Å; F392-F490 HydrophobicContact CE2-CD1 3.9Å; F392-F490 HydrophobicContact CZ-CD1 4.18Å; N486-F490 VanDerWaalsContact O-CB 3.26Å; N486-F490 WeakPolarHBondContact O-CB 3.47Å; N486-F490 PolarHBondContact O-N 3.36Å; N487-F490 PolarHBondContact O-N 3.08Å; Y488-F490 PolarHBondContact O-N 3.06Å; F490-V493 WeakPolarHBondContact O-CB 3.2Å; F490-V493 PolarHBondContact O-N 2.88Å; F490-L494 HydrophobicContact CD1-CD1 4.01Å; F490-L494 HydrophobicContact CE1-CD1 3.65Å; F490-L494 HydrophobicContact CE1-CG 4.24Å; F490-L494 HydrophobicContact CE2-CD1 4.47Å; F490-L494 HydrophobicContact CE2-CD2 4.28Å; F490-L494 HydrophobicContact CE2-CG 4.18Å; F490-L494 HydrophobicContact CZ-CD1 3.9Å; F490-L494 HydrophobicContact CZ-CD2 4.05Å; F490-L494 HydrophobicContact CZ-CG 4.04Å; F490-L494 WeakPolarHBondContact O-CG 3.32Å; F490-L494 PolarHBondContact O-N 3.03Å
491	W	94.8	Very high	93.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.1	-43.4	172.3	178	-101.2	0	0	0	112.3	Y355 L356 Y364 V365 V368 F392 L396 N487 Y488 M489 V493 L494 D495 I498	Y355-W491 PolarHBondContact OH-NE1 3.44Å; L356-W491 VanDerWaalsContact CD1-NE1 3.29Å; L356-W491 HydrophobicContact CD2-CZ2 4.05Å; Y364-W491 AromaticContact CD1-CH2 3.93Å; Y364-W491 HydrophobicContact CD1-CH2 3.93Å; Y364-W491 HydrophobicContact CD1-CZ2 4.16Å; Y364-W491 AromaticContact CE1-CH2 3.57Å; Y364-W491 HydrophobicContact CE1-CH2 3.57Å; Y364-W491 AromaticContact CE1-CZ2 3.75Å; Y364-W491 HydrophobicContact CE1-CZ2 3.75Å; V365-W491 HydrophobicContact CB-CE3 4.39Å; V365-W491 HydrophobicContact CB-CH2 4.1Å; V365-W491 HydrophobicContact CB-CZ3 3.95Å; V365-W491 HydrophobicContact CG1-CD2 4.42Å; V365-W491 HydrophobicContact CG1-CE3 3.76Å; V365-W491 HydrophobicContact CG1-CH2 4.34Å; V365-W491 HydrophobicContact CG1-CZ3 3.72Å; V365-W491 HydrophobicContact CG2-CD2 4.26Å; V365-W491 HydrophobicContact CG2-CE3 4.14Å; V365-W491 HydrophobicContact CG2-CH2 3.53Å; V365-W491 HydrophobicContact CG2-CZ2 3.66Å; V365-W491 HydrophobicContact CG2-CZ3 3.78Å; V368-W491 HydrophobicContact CB-CZ3 4.41Å; V368-W491 HydrophobicContact CG1-CZ3 4.33Å; F392-W491 HydrophobicContact CE1-CB 4.09Å; F392-W491 HydrophobicContact CZ-CB 3.98Å; L396-W491 HydrophobicContact CD1-CB 4.02Å; L396-W491 HydrophobicContact CD1-CG 3.86Å; L396-W491 HydrophobicContact CD2-CB 4.22Å; L396-W491 HydrophobicContact CD2-CD2 3.86Å; L396-W491 HydrophobicContact CD2-CG 3.64Å; L396-W491 HydrophobicContact CG-CG 4.42Å; N487-W491 PolarHBondContact O-N 3.32Å; Y488-W491 PolarHBondContact O-N 3.19Å; M489-W491 VanDerWaalsContact C-N 3.31Å; M489-W491 PolarHBondContact O-N 3.34Å; W491-V493 PolarHBondContact O-N 3.27Å; W491-L494 HydrophobicContact CE3-CB 4.27Å; W491-L494 HydrophobicContact CE3-CD1 4.38Å; W491-L494 HydrophobicContact CZ3-CB 4.48Å; W491-L494 PolarHBondContact O-N 2.69Å; W491-L494 VanDerWaalsContact O-N 3.08Å; W491-D495 HydrophobicContact CZ2-CB 4.13Å; W491-D495 WeakPolarHBondContact O-CB 3.45Å; W491-D495 PolarHBondContact O-N 3.16Å; W491-I498 HydrophobicContact CH2-CD1 4.15Å; W491-I498 HydrophobicContact CZ3-CD1 4.3Å
492	N	92.4	Very high	93.2	Very high	8 Å²	8	6 Å²	6	4%	0.043	3%	0.029	C	C	.	.	H	α-helix	trans	-58.1	-37.4	176.6	-72.6	-15.1	0	0	0	112.1	V326 T328 Y488 M489 M496	V326-N492 HydrophobicContact CG1-CB 3.84Å; T328-N492 PolarHBondContact OG1-ND2 3.28Å; Y488-N492 VanDerWaalsContact CE1-ND2 3.31Å; Y488-N492 WeakPolarHBondContact CE1-ND2 3.02Å; Y488-N492 PolarHBondContact O-N 2.97Å; M489-N492 PolarHBondContact O-N 2.71Å; N492-M496 WeakPolarHBondContact O-CB 3.43Å; N492-M496 PolarHBondContact O-N 2.97Å
493	V	94.3	Very high	93	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.1	-48.9	173.1	175.1	0	0	0	0	111	L258 V262 L320 V326 M489 F490 W491 M496 Y497	L258-V493 HydrophobicContact CD1-CG1 4.16Å; V262-V493 HydrophobicContact CB-CG1 4.36Å; V262-V493 HydrophobicContact CG1-CG1 3.94Å; V262-V493 HydrophobicContact CG1-CG2 4.34Å; V262-V493 HydrophobicContact CG2-CG1 3.49Å; V262-V493 VanDerWaalsContact CG2-CG1 3.49Å; L320-V493 HydrophobicContact CD1-CG2 3.8Å; L320-V493 HydrophobicContact CD2-CG2 3.59Å; L320-V493 HydrophobicContact CG-CG2 4.33Å; V326-V493 HydrophobicContact CB-CG2 4.5Å; V326-V493 HydrophobicContact CG1-CG2 4.04Å; V326-V493 HydrophobicContact CG2-CG2 4.18Å; M489-V493 WeakPolarHBondContact O-CG2 3.44Å; M489-V493 PolarHBondContact O-N 2.98Å; M489-V493 VanDerWaalsContact O-N 3.1Å; F490-V493 WeakPolarHBondContact O-CB 3.2Å; F490-V493 PolarHBondContact O-N 2.88Å; W491-V493 PolarHBondContact O-N 3.27Å; V493-M496 PolarHBondContact O-N 3.33Å; V493-Y497 HydrophobicContact CG1-CD2 4.14Å; V493-Y497 WeakPolarHBondContact O-CD2 3.29Å; V493-Y497 PolarHBondContact O-N 3.44Å; V493-Y497 VanDerWaalsContact O-N 3.13Å
494	L	94.2	Very high	92.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.8	-52.6	179.3	-71.2	176.5	0	0	0	110.6	L258 M259 V368 L369 F490 W491 M496 Y497 I498	L258-L494 HydrophobicContact CD2-CD2 4.16Å; M259-L494 HydrophobicContact CE-CD2 4.27Å; V368-L494 HydrophobicContact CG1-CD1 4.42Å; L369-L494 HydrophobicContact CD2-CD1 3.78Å; F490-L494 HydrophobicContact CD1-CD1 4.01Å; F490-L494 HydrophobicContact CE1-CD1 3.65Å; F490-L494 HydrophobicContact CE1-CG 4.24Å; F490-L494 HydrophobicContact CE2-CD1 4.47Å; F490-L494 HydrophobicContact CE2-CD2 4.28Å; F490-L494 HydrophobicContact CE2-CG 4.18Å; F490-L494 HydrophobicContact CZ-CD1 3.9Å; F490-L494 HydrophobicContact CZ-CD2 4.05Å; F490-L494 HydrophobicContact CZ-CG 4.04Å; F490-L494 WeakPolarHBondContact O-CG 3.32Å; F490-L494 PolarHBondContact O-N 3.03Å; W491-L494 HydrophobicContact CE3-CB 4.27Å; W491-L494 HydrophobicContact CE3-CD1 4.38Å; W491-L494 HydrophobicContact CZ3-CB 4.48Å; W491-L494 PolarHBondContact O-N 2.69Å; W491-L494 VanDerWaalsContact O-N 3.08Å; L494-M496 PolarHBondContact O-N 3.19Å; L494-M496 VanDerWaalsContact O-N 3.14Å; L494-Y497 PolarHBondContact O-N 3.08Å; L494-I498 VanDerWaalsContact C-CD1 3.45Å; L494-I498 HydrophobicContact CB-CD1 3.99Å; L494-I498 HydrophobicContact CB-CG1 4.23Å; L494-I498 WeakPolarHBondContact O-CB 3.34Å; L494-I498 VanDerWaalsContact O-CD1 3.23Å; L494-I498 WeakPolarHBondContact O-CD1 3.5Å; L494-I498 WeakPolarHBondContact O-CG1 3.23Å; L494-I498 PolarHBondContact O-N 3.33Å
495	D	88.7	Confident	92.7	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-52.8	-39.8	-180	-168.7	59.1	0	0	0	112.5	N13 Y355 W491	N13-D495 PolarHBondContact ND2-OD2 2.87Å; Y355-D495 WeakPolarHBondContact CE2-OD2 3.48Å; Y355-D495 VanDerWaalsContact CZ-OD2 3.31Å; Y355-D495 VanDerWaalsContact OH-CG 3.26Å; Y355-D495 PolarHBondContact OH-OD2 3.48Å; W491-D495 HydrophobicContact CZ2-CB 4.13Å; W491-D495 WeakPolarHBondContact O-CB 3.45Å; W491-D495 PolarHBondContact O-N 3.16Å
496	M	87.6	Confident	92.4	Very high	24 Å²	24	12.3 Å²	12.3	12%	0.118	6%	0.055	C	C	.	.	H	α-helix	trans	-72.9	-29.1	178.8	-171.4	163	-169.1	0	0	114.2	L15 N325 V326 N492 V493 L494	L15-M496 HydrophobicContact CD2-CE 3.33Å; L15-M496 HydrophobicContact CD2-CG 4.05Å; L15-M496 HydrophobicContact CD2-SD 4.47Å; L15-M496 HydrophobicContact CG-CE 4.46Å; N325-M496 VanDerWaalsContact O-CE 3.23Å; N325-M496 WeakPolarHBondContact O-CE 3.3Å; V326-M496 HydrophobicContact CB-SD 4.08Å; V326-M496 HydrophobicContact CG1-SD 4.47Å; V326-M496 HydrophobicContact CG2-SD 3.57Å; V326-M496 VanDerWaalsContact CG2-SD 3.57Å; N492-M496 WeakPolarHBondContact O-CB 3.43Å; N492-M496 PolarHBondContact O-N 2.97Å; V493-M496 PolarHBondContact O-N 3.33Å; L494-M496 PolarHBondContact O-N 3.19Å; L494-M496 VanDerWaalsContact O-N 3.14Å
497	Y	92.5	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-114.1	-12.7	-171.4	-73.9	-76.1	0	0	0	115.6	L258 L324 V326 V493 L494 W499 H500 L619 L622 F623	L258-Y497 HydrophobicContact CD1-CD1 4.42Å; L258-Y497 HydrophobicContact CD1-CD2 3.92Å; L258-Y497 HydrophobicContact CD1-CG 3.8Å; L324-Y497 HydrophobicContact CB-CE2 4.11Å; L324-Y497 HydrophobicContact CD1-CE2 4.44Å; L324-Y497 HydrophobicContact CD2-CE2 4.46Å; L324-Y497 PolarHBondContact O-OH 3.42Å; V326-Y497 HydrophobicContact CG2-CD2 4.48Å; V326-Y497 HydrophobicContact CG2-CE2 3.78Å; V493-Y497 HydrophobicContact CG1-CD2 4.14Å; V493-Y497 WeakPolarHBondContact O-CD2 3.29Å; V493-Y497 PolarHBondContact O-N 3.44Å; V493-Y497 VanDerWaalsContact O-N 3.13Å; L494-Y497 PolarHBondContact O-N 3.08Å; Y497-W499 VanDerWaalsContact C-N 3.26Å; Y497-W499 PolarHBondContact O-N 3.07Å; Y497-H500 WeakPolarHBondContact O-CA 3.36Å; Y497-H500 WeakPolarHBondContact O-CB 3.22Å; Y497-H500 PolarHBondContact O-N 2.88Å; Y497-L619 HydrophobicContact CD1-CD1 4.05Å; Y497-L622 HydrophobicContact CD1-CD2 3.82Å; Y497-L622 HydrophobicContact CE1-CD2 3.67Å; Y497-L622 HydrophobicContact CE1-CG 4.29Å; Y497-F623 HydrophobicContact CD1-CE1 4.18Å; Y497-F623 HydrophobicContact CE1-CD1 4.06Å; Y497-F623 AromaticContact CE1-CE1 3.64Å; Y497-F623 HydrophobicContact CE1-CE1 3.64Å; Y497-F623 AromaticContact CZ-CE1 3.83Å
498	I	91	Very high	91.5	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-51.1	-44.4	-177.7	-80.4	155.2	0	0	0	111.6	Y364 V368 W491 L494 H500 L501 Y505 H509	Y364-I498 WeakPolarHBondContact OH-CD1 3.48Å; V368-I498 HydrophobicContact CB-CD1 4.37Å; V368-I498 HydrophobicContact CG1-CD1 3.67Å; V368-I498 HydrophobicContact CG1-CG1 3.94Å; V368-I498 HydrophobicContact CG2-CD1 3.84Å; V368-I498 HydrophobicContact CG2-CG1 4.46Å; W491-I498 HydrophobicContact CH2-CD1 4.15Å; W491-I498 HydrophobicContact CZ3-CD1 4.3Å; L494-I498 VanDerWaalsContact C-CD1 3.45Å; L494-I498 HydrophobicContact CB-CD1 3.99Å; L494-I498 HydrophobicContact CB-CG1 4.23Å; L494-I498 WeakPolarHBondContact O-CB 3.34Å; L494-I498 VanDerWaalsContact O-CD1 3.23Å; L494-I498 WeakPolarHBondContact O-CD1 3.5Å; L494-I498 WeakPolarHBondContact O-CG1 3.23Å; L494-I498 PolarHBondContact O-N 3.33Å; I498-H500 PolarHBondContact O-N 2.82Å; I498-H500 VanDerWaalsContact O-N 3.1Å; I498-L501 PolarHBondContact O-N 3.41Å; I498-L501 VanDerWaalsContact O-N 3.16Å; I498-Y505 HydrophobicContact CG1-CD1 4.41Å; I498-Y505 HydrophobicContact CG2-CD1 4.4Å; I498-Y505 WeakPolarHBondContact CG2-O 3.4Å; I498-Y505 WeakPolarHBondContact O-CB 3.38Å; I498-H509 HydrophobicContact CG2-CB 3.81Å
499	W	86.2	Confident	91.1	Very high	8 Å²	8	18 Å²	18	3%	0.03	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-58.5	-25.9	-179.8	-177.4	95.6	0	0	0	112.9	R250 Y497 Y506 H509 E523 V527 Y618	R250-W499 PolarHBondContact NH2-O 3.46Å; Y497-W499 VanDerWaalsContact C-N 3.26Å; Y497-W499 PolarHBondContact O-N 3.07Å; W499-Y506 AromaticContact CD1-CD2 3.69Å; W499-Y506 AromaticContact CD1-CE2 3.88Å; W499-Y506 HydrophobicContact CD2-CD2 4.41Å; W499-Y506 AromaticContact CE2-CD2 3.96Å; W499-Y506 AromaticContact CE2-CE2 3.77Å; W499-Y506 HydrophobicContact CG-CD2 4.2Å; W499-Y506 HydrophobicContact CZ2-CE2 4.09Å; W499-Y506 AromaticContact NE1-CD2 3.59Å; W499-Y506 AromaticContact NE1-CE2 3.31Å; W499-Y506 VanDerWaalsContact NE1-CE2 3.31Å; W499-H509 AromaticContact CD1-CD2 3.87Å; W499-E523 HydrophobicContact CH2-CB 4.27Å; W499-E523 HydrophobicContact CZ2-CB 3.55Å; W499-E523 HydrophobicContact CZ2-CG 4.39Å; W499-V527 HydrophobicContact CE3-CG2 4.48Å; W499-V527 HydrophobicContact CH2-CG2 3.69Å; W499-V527 HydrophobicContact CZ3-CG2 3.66Å; W499-Y618 WeakPolarHBondContact CZ3-OH 3.36Å
500	H	90.3	Very high	90.4	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.019	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-93.2	-2.5	-176.4	-56.8	-84.4	0	0	0	114.5	L15 R250 Y497 I498 Y618 L619 L622	L15-H500 WeakPolarHBondContact CD1-CE1 3.26Å; L15-H500 WeakPolarHBondContact CD1-NE2 3.17Å; R250-H500 PolarHBondContact NE-O 2.7Å; Y497-H500 WeakPolarHBondContact O-CA 3.36Å; Y497-H500 WeakPolarHBondContact O-CB 3.22Å; Y497-H500 PolarHBondContact O-N 2.88Å; I498-H500 PolarHBondContact O-N 2.82Å; I498-H500 VanDerWaalsContact O-N 3.1Å; H500-Y618 HydrophobicContact CB-CD1 4.37Å; H500-Y618 HydrophobicContact CB-CE1 3.73Å; H500-Y618 PolarHBondContact CE1-OH 2.94Å; H500-Y618 AromaticContact CG-CE1 3.94Å; H500-Y618 AromaticContact ND1-CE1 3.36Å; H500-Y618 WeakPolarHBondContact ND1-CE1 3.06Å; H500-Y618 AromaticContact ND1-CZ 3.44Å; H500-Y618 PolarHBondContact ND1-OH 2.82Å; H500-L619 HydrophobicContact CB-CD1 3.81Å; H500-L622 HydrophobicContact CB-CD2 3.99Å; H500-L622 VanDerWaalsContact CG-CD2 3.45Å; H500-L622 WeakPolarHBondContact ND1-CD2 3.29Å
501	L	93.2	Very high	89.7	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-85.2	-149.8	-178.3	-58.2	-177.7	0	0	0	111.5	R250 A255 L258 I498 Y505 L619	R250-L501 PolarHBondContact NE-O 2.96Å; R250-L501 PolarHBondContact NH2-O 2.92Å; A255-L501 HydrophobicContact CB-CD1 4.13Å; L258-L501 HydrophobicContact CB-CD2 3.97Å; L258-L501 HydrophobicContact CD2-CD1 4.1Å; L258-L501 HydrophobicContact CD2-CD2 4.12Å; I498-L501 PolarHBondContact O-N 3.41Å; I498-L501 VanDerWaalsContact O-N 3.16Å; L501-Y505 HydrophobicContact CB-CD2 3.52Å; L501-Y505 HydrophobicContact CB-CE2 4.22Å; L501-Y505 HydrophobicContact CB-CG 3.86Å; L501-Y505 HydrophobicContact CD1-CD1 4Å; L501-Y505 HydrophobicContact CD1-CD2 3.83Å; L501-Y505 HydrophobicContact CD1-CE1 4.12Å; L501-Y505 HydrophobicContact CD1-CE2 3.96Å; L501-Y505 HydrophobicContact CD1-CG 3.85Å; L501-Y505 HydrophobicContact CG-CD2 4.33Å; L501-Y505 HydrophobicContact CG-CG 4.46Å; L501-L619 HydrophobicContact CD2-CD1 4.48Å; L501-L619 HydrophobicContact CD2-CD2 4.18Å
502	S	93.2	Very high	88.9	Confident	6 Å²	6	25.6 Å²	25.6	4%	0.042	13%	0.125	C	C	.	.			trans	-64.9	163.3	174.8	67.2	0	0	0	0	112.1	E504 Y505 Y506	S502-E504 PolarHBondContact O-N 3.32Å; S502-E504 VanDerWaalsContact O-N 3.11Å; S502-Y505 PolarHBondContact O-N 2.84Å; S502-Y505 VanDerWaalsContact O-N 3.15Å; S502-Y505 VanDerWaalsContact OG-CD2 3.25Å; S502-Y505 WeakPolarHBondContact OG-CD2 3.19Å; S502-Y506 PolarHBondContact O-N 3.15Å; S502-Y506 VanDerWaalsContact O-N 3.1Å
503	Y	89.5	Confident	87.8	Confident	110 Å²	110	26.4 Å²	26.4	43%	0.431	13%	0.13	S	C	.	.	H	α-helix	trans	-53.9	-31.6	179.4	-174.9	-106.7	0	0	0	112.8	N251 Y506 M507 M520	N251-Y503 VanDerWaalsContact OD1-CB 3.28Å; N251-Y503 WeakPolarHBondContact OD1-CB 3.39Å; N251-Y503 PolarHBondContact OD1-N 3.09Å; Y503-Y506 AromaticContact CD2-CD1 3.93Å; Y503-Y506 HydrophobicContact CD2-CD1 3.93Å; Y503-Y506 HydrophobicContact CD2-CE1 4.44Å; Y503-Y506 HydrophobicContact CE2-CD1 4.01Å; Y503-Y506 HydrophobicContact CE2-CE1 4.15Å; Y503-Y506 WeakPolarHBondContact O-CB 3.42Å; Y503-Y506 PolarHBondContact O-N 3.06Å; Y503-M507 HydrophobicContact CD1-CG 3.89Å; Y503-M507 HydrophobicContact CD2-CG 4.29Å; Y503-M507 HydrophobicContact CE1-CG 3.47Å; Y503-M507 VanDerWaalsContact CE1-CG 3.47Å; Y503-M507 HydrophobicContact CE1-SD 4.19Å; Y503-M507 HydrophobicContact CE2-CG 3.91Å; Y503-M507 HydrophobicContact CE2-SD 3.92Å; Y503-M507 HydrophobicContact CG-CG 4.29Å; Y503-M507 VanDerWaalsContact CZ-CG 3.48Å; Y503-M507 VanDerWaalsContact CZ-SD 3.59Å; Y503-M507 WeakPolarHBondContact O-CB 3.49Å; Y503-M507 VanDerWaalsContact O-CG 3.27Å; Y503-M507 WeakPolarHBondContact O-CG 3.34Å; Y503-M507 PolarHBondContact O-N 3.2Å; Y503-M507 PolarHBondContact OH-SD 2.89Å; Y503-M507 VanDerWaalsContact OH-SD 3.41Å; Y503-M520 HydrophobicContact CD2-CE 3.93Å; Y503-M520 HydrophobicContact CE2-CE 4.04Å
504	E	91	Very high	86.4	Confident	81 Å²	81	28.6 Å²	28.6	38%	0.379	14%	0.138	S	C	.	.	H	α-helix	trans	-69.9	-42.9	179.6	-164.8	170.3	158.7	0	0	113	V371 R374 S502 Y506 M507 L508	V371-E504 HydrophobicContact CG2-CG 4.28Å; R374-E504 IonicContact CZ-OE1 3.11Å; R374-E504 VanDerWaalsContact CZ-OE1 3.27Å; R374-E504 IonicContact CZ-OE2 2.82Å; R374-E504 VanDerWaalsContact CZ-OE2 3.32Å; R374-E504 IonicContact NH1-OE1 2.91Å; R374-E504 PolarHBondContact NH1-OE1 3.08Å; R374-E504 IonicContact NH1-OE2 2.67Å; R374-E504 PolarHBondContact NH1-OE2 3.14Å; R374-E504 IonicContact NH2-OE1 2.78Å; R374-E504 PolarHBondContact NH2-OE1 3.39Å; R374-E504 IonicContact NH2-OE2 2.68Å; R374-E504 PolarHBondContact NH2-OE2 3.25Å; S502-E504 PolarHBondContact O-N 3.32Å; S502-E504 VanDerWaalsContact O-N 3.11Å; E504-Y506 VanDerWaalsContact C-N 3.34Å; E504-M507 PolarHBondContact O-N 3.11Å; E504-L508 WeakPolarHBondContact O-CB 3.36Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 2.83Å
505	Y	93.4	Very high	84.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-43	171.5	-72.9	-79.2	0	0	0	111.4	A255 V368 V371 L372 D375 I498 L501 S502 L508 H509	A255-Y505 HydrophobicContact CB-CE2 4.19Å; A255-Y505 WeakPolarHBondContact CB-OH 3.37Å; V368-Y505 HydrophobicContact CG1-CD1 4.27Å; V368-Y505 HydrophobicContact CG1-CE1 4.15Å; V371-Y505 HydrophobicContact CB-CE1 3.99Å; V371-Y505 HydrophobicContact CG1-CD1 4.1Å; V371-Y505 HydrophobicContact CG1-CD2 3.98Å; V371-Y505 HydrophobicContact CG1-CE1 3.63Å; V371-Y505 HydrophobicContact CG1-CE2 3.48Å; V371-Y505 VanDerWaalsContact CG1-CE2 3.48Å; V371-Y505 HydrophobicContact CG1-CG 4.25Å; L372-Y505 WeakPolarHBondContact CA-OH 3.44Å; L372-Y505 PolarHBondContact N-OH 3.28Å; D375-Y505 VanDerWaalsContact OD2-CE2 3.24Å; D375-Y505 WeakPolarHBondContact OD2-CE2 3.23Å; D375-Y505 PolarHBondContact OD2-OH 3.22Å; I498-Y505 HydrophobicContact CG1-CD1 4.41Å; I498-Y505 HydrophobicContact CG2-CD1 4.4Å; I498-Y505 WeakPolarHBondContact CG2-O 3.4Å; I498-Y505 WeakPolarHBondContact O-CB 3.38Å; L501-Y505 HydrophobicContact CB-CD2 3.52Å; L501-Y505 HydrophobicContact CB-CE2 4.22Å; L501-Y505 HydrophobicContact CB-CG 3.86Å; L501-Y505 HydrophobicContact CD1-CD1 4Å; L501-Y505 HydrophobicContact CD1-CD2 3.83Å; L501-Y505 HydrophobicContact CD1-CE1 4.12Å; L501-Y505 HydrophobicContact CD1-CE2 3.96Å; L501-Y505 HydrophobicContact CD1-CG 3.85Å; L501-Y505 HydrophobicContact CG-CD2 4.33Å; L501-Y505 HydrophobicContact CG-CG 4.46Å; S502-Y505 PolarHBondContact O-N 2.84Å; S502-Y505 VanDerWaalsContact O-N 3.15Å; S502-Y505 VanDerWaalsContact OG-CD2 3.25Å; S502-Y505 WeakPolarHBondContact OG-CD2 3.19Å; Y505-L508 PolarHBondContact O-N 3.17Å; Y505-H509 PolarHBondContact O-N 3.3Å
506	Y	87.8	Confident	83	Confident	6 Å²	6	43.6 Å²	43.6	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-50	176.6	167	-100.7	0	0	0	111.5	W499 S502 Y503 E504 L508 H509 L510 M520	W499-Y506 AromaticContact CD1-CD2 3.69Å; W499-Y506 AromaticContact CD1-CE2 3.88Å; W499-Y506 HydrophobicContact CD2-CD2 4.41Å; W499-Y506 AromaticContact CE2-CD2 3.96Å; W499-Y506 AromaticContact CE2-CE2 3.77Å; W499-Y506 HydrophobicContact CG-CD2 4.2Å; W499-Y506 HydrophobicContact CZ2-CE2 4.09Å; W499-Y506 AromaticContact NE1-CD2 3.59Å; W499-Y506 AromaticContact NE1-CE2 3.31Å; W499-Y506 VanDerWaalsContact NE1-CE2 3.31Å; S502-Y506 PolarHBondContact O-N 3.15Å; S502-Y506 VanDerWaalsContact O-N 3.1Å; Y503-Y506 AromaticContact CD2-CD1 3.93Å; Y503-Y506 HydrophobicContact CD2-CD1 3.93Å; Y503-Y506 HydrophobicContact CD2-CE1 4.44Å; Y503-Y506 HydrophobicContact CE2-CD1 4.01Å; Y503-Y506 HydrophobicContact CE2-CE1 4.15Å; Y503-Y506 WeakPolarHBondContact O-CB 3.42Å; Y503-Y506 PolarHBondContact O-N 3.06Å; E504-Y506 VanDerWaalsContact C-N 3.34Å; Y506-L508 PolarHBondContact O-N 3.47Å; Y506-H509 WeakPolarHBondContact O-CB 3.49Å; Y506-H509 PolarHBondContact O-N 2.88Å; Y506-L510 HydrophobicContact CD1-CD1 4.15Å; Y506-L510 HydrophobicContact CD2-CG 4.43Å; Y506-L510 HydrophobicContact CE1-CD1 3.44Å; Y506-L510 VanDerWaalsContact CE1-CD1 3.44Å; Y506-L510 HydrophobicContact CE1-CG 4.27Å; Y506-L510 HydrophobicContact CE2-CD1 3.9Å; Y506-L510 HydrophobicContact CE2-CD2 4.33Å; Y506-L510 HydrophobicContact CE2-CG 4.08Å; Y506-L510 WeakPolarHBondContact O-CG 3.33Å; Y506-L510 PolarHBondContact O-N 2.76Å; Y506-L510 WeakPolarHBondContact OH-CD1 3.4Å; Y506-M520 HydrophobicContact CE1-CE 4.42Å
507	M	86.7	Confident	81.5	Confident	81 Å²	81	50.4 Å²	50.4	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-37.7	179.3	-71.9	-56.8	-68.2	0	0	112.7	Y503 E504 L510 S511	Y503-M507 HydrophobicContact CD1-CG 3.89Å; Y503-M507 HydrophobicContact CD2-CG 4.29Å; Y503-M507 HydrophobicContact CE1-CG 3.47Å; Y503-M507 VanDerWaalsContact CE1-CG 3.47Å; Y503-M507 HydrophobicContact CE1-SD 4.19Å; Y503-M507 HydrophobicContact CE2-CG 3.91Å; Y503-M507 HydrophobicContact CE2-SD 3.92Å; Y503-M507 HydrophobicContact CG-CG 4.29Å; Y503-M507 VanDerWaalsContact CZ-CG 3.48Å; Y503-M507 VanDerWaalsContact CZ-SD 3.59Å; Y503-M507 WeakPolarHBondContact O-CB 3.49Å; Y503-M507 VanDerWaalsContact O-CG 3.27Å; Y503-M507 WeakPolarHBondContact O-CG 3.34Å; Y503-M507 PolarHBondContact O-N 3.2Å; Y503-M507 PolarHBondContact OH-SD 2.89Å; Y503-M507 VanDerWaalsContact OH-SD 3.41Å; E504-M507 PolarHBondContact O-N 3.11Å; M507-L510 PolarHBondContact O-N 2.73Å; M507-L510 HydrophobicContact SD-CD1 4.28Å; M507-S511 WeakPolarHBondContact O-CB 3Å; M507-S511 PolarHBondContact O-N 3.37Å; M507-S511 PolarHBondContact O-OG 3.49Å
508	L	89.3	Confident	80	Confident	38 Å²	38	51.7 Å²	51.7	20%	0.199	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-48.9	171.6	-78.5	171.7	0	0	0	110.7	V371 E504 Y505 Y506 L510 S511 Y512	V371-L508 HydrophobicContact CG2-CD1 3.65Å; E504-L508 WeakPolarHBondContact O-CB 3.36Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 2.83Å; Y505-L508 PolarHBondContact O-N 3.17Å; Y506-L508 PolarHBondContact O-N 3.47Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.31Å; L508-S511 PolarHBondContact O-N 3.38Å; L508-S511 PolarHBondContact O-OG 3.48Å; L508-Y512 WeakPolarHBondContact O-CD2 3.45Å; L508-Y512 PolarHBondContact O-N 3.41Å
509	H	85.3	Confident	78.9	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-45.4	177.2	-176.1	85.7	0	0	0	112.5	Y364 I498 W499 Y505 Y506 Y512 N513 Y514	Y364-H509 PolarHBondContact OH-ND1 3.33Å; Y364-H509 VanDerWaalsContact OH-ND1 3.07Å; I498-H509 HydrophobicContact CG2-CB 3.81Å; W499-H509 AromaticContact CD1-CD2 3.87Å; Y505-H509 PolarHBondContact O-N 3.3Å; Y506-H509 WeakPolarHBondContact O-CB 3.49Å; Y506-H509 PolarHBondContact O-N 2.88Å; H509-Y512 PolarHBondContact O-N 3.38Å; H509-N513 PolarHBondContact CE1-ND2 2.99Å; H509-N513 PolarHBondContact ND1-ND2 2.87Å; H509-N513 WeakPolarHBondContact O-CB 3.46Å; H509-N513 PolarHBondContact O-N 3.44Å; H509-N513 PolarHBondContact O-ND2 2.75Å; H509-Y514 AromaticContact NE2-CE2 3.85Å
510	L	80.7	Confident	78.6	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-50.7	179.2	-73.6	-171.5	0	0	0	112.1	Y506 M507 L508 Y512 N513 Y514 H518	Y506-L510 HydrophobicContact CD1-CD1 4.15Å; Y506-L510 HydrophobicContact CD2-CG 4.43Å; Y506-L510 HydrophobicContact CE1-CD1 3.44Å; Y506-L510 VanDerWaalsContact CE1-CD1 3.44Å; Y506-L510 HydrophobicContact CE1-CG 4.27Å; Y506-L510 HydrophobicContact CE2-CD1 3.9Å; Y506-L510 HydrophobicContact CE2-CD2 4.33Å; Y506-L510 HydrophobicContact CE2-CG 4.08Å; Y506-L510 WeakPolarHBondContact O-CG 3.33Å; Y506-L510 PolarHBondContact O-N 2.76Å; Y506-L510 WeakPolarHBondContact OH-CD1 3.4Å; M507-L510 PolarHBondContact O-N 2.73Å; M507-L510 HydrophobicContact SD-CD1 4.28Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.31Å; L510-Y512 PolarHBondContact O-N 2.85Å; L510-N513 PolarHBondContact O-N 3.06Å; L510-N513 VanDerWaalsContact O-N 3.15Å; L510-Y514 HydrophobicContact CD2-CD2 3.7Å; L510-Y514 HydrophobicContact CD2-CE2 4.2Å; L510-Y514 HydrophobicContact CD2-CG 4.36Å; L510-Y514 PolarHBondContact O-N 2.91Å; L510-H518 HydrophobicContact CD1-CB 3.94Å; L510-H518 HydrophobicContact CD2-CB 4.33Å
511	S	81.8	Confident	78	Confident	78 Å²	78	58.9 Å²	58.9	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-58	-24.5	-175.7	67.9	0	0	0	0	114.7	M507 L508	M507-S511 WeakPolarHBondContact O-CB 3Å; M507-S511 PolarHBondContact O-N 3.37Å; M507-S511 PolarHBondContact O-OG 3.49Å; L508-S511 PolarHBondContact O-N 3.38Å; L508-S511 PolarHBondContact O-OG 3.48Å
512	Y	78.4	Confident	77.3	Confident	65 Å²	65	59.9 Å²	59.9	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-102.9	-15.7	-178.4	-80.3	-78.8	0	0	0	114.8	Y359 K360 T363 Y364 L508 H509 L510	Y359-Y512 HydrophobicContact CE1-CE1 4.13Å; K360-Y512 VanDerWaalsContact CE-O 3.29Å; K360-Y512 WeakPolarHBondContact CE-O 3.39Å; K360-Y512 PolarHBondContact NZ-O 2.92Å; T363-Y512 WeakPolarHBondContact CB-OH 3.49Å; T363-Y512 WeakPolarHBondContact OG1-CE1 3.37Å; T363-Y512 PolarHBondContact OG1-OH 2.67Å; Y364-Y512 AromaticContact CD2-CD2 3.57Å; Y364-Y512 HydrophobicContact CD2-CD2 3.57Å; Y364-Y512 HydrophobicContact CD2-CE2 4.28Å; Y364-Y512 AromaticContact CD2-CG 3.93Å; Y364-Y512 HydrophobicContact CD2-CG 3.93Å; Y364-Y512 HydrophobicContact CG-CD2 4Å; Y364-Y512 AromaticContact CG-CG 3.98Å; Y364-Y512 HydrophobicContact CG-CG 3.98Å; L508-Y512 WeakPolarHBondContact O-CD2 3.45Å; L508-Y512 PolarHBondContact O-N 3.41Å; H509-Y512 PolarHBondContact O-N 3.38Å; L510-Y512 PolarHBondContact O-N 2.85Å
513	N	68.3	Low	76.5	Confident	24 Å²	24	60.4 Å²	60.4	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-117.5	-17.9	-174.8	-62.9	-59	0	0	0	113.4	K360 H509 L510	K360-N513 PolarHBondContact NZ-OD1 3.46Å; H509-N513 PolarHBondContact CE1-ND2 2.99Å; H509-N513 PolarHBondContact ND1-ND2 2.87Å; H509-N513 WeakPolarHBondContact O-CB 3.46Å; H509-N513 PolarHBondContact O-N 3.44Å; H509-N513 PolarHBondContact O-ND2 2.75Å; L510-N513 PolarHBondContact O-N 3.06Å; L510-N513 VanDerWaalsContact O-N 3.15Å
514	Y	66	Low	76.3	Confident	47 Å²	47	55.1 Å²	55.1	18%	0.184	27%	0.27	C	S	.	.			trans	-135.8	149.4	-175.4	-58.7	-86.9	0	0	0	112.2	H509 L510 H518	H509-Y514 AromaticContact NE2-CE2 3.85Å; L510-Y514 HydrophobicContact CD2-CD2 3.7Å; L510-Y514 HydrophobicContact CD2-CE2 4.2Å; L510-Y514 HydrophobicContact CD2-CG 4.36Å; L510-Y514 PolarHBondContact O-N 2.91Å; Y514-H518 WeakPolarHBondContact CB-NE2 3.28Å; Y514-H518 AromaticContact CD1-CE1 3.65Å; Y514-H518 AromaticContact CD1-NE2 3.43Å; Y514-H518 WeakPolarHBondContact CD1-NE2 3.4Å; Y514-H518 AromaticContact CG-CE1 3.89Å; Y514-H518 AromaticContact CG-NE2 3.3Å; Y514-H518 VanDerWaalsContact CG-NE2 3.3Å
515	Y	55.2	Low	76.1	Confident	242 Å²	242	51.4 Å²	51.4	95%	0.949	25%	0.252	S	S	*	.	S	Bend	trans	-107.4	-6.6	179.5	-65.2	-79	0	0	0	113.1
516	T	54.8	Low	75.4	Confident	80 Å²	80	54.5 Å²	54.5	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-106.6	156	-173.1	48.9	0	0	0	0	111.4	Q166 H518	Q166-T516 PolarHBondContact NE2-OG1 3.45Å; T516-H518 PolarHBondContact O-CD2 3.36Å; T516-H518 PolarHBondContact OG1-NE2 3.2Å
517	E	56.4	Low	75	Confident	166 Å²	166	54.6 Å²	54.6	78%	0.776	27%	0.267	S	S	*	.			trans	-66.6	133.3	168.4	-68.8	-175.2	162.4	0	0	109.7
518	H	60.8	Low	75.1	Confident	28 Å²	28	50.8 Å²	50.8	13%	0.13	25%	0.248	C	C	.	.			trans	-115.3	124	179.2	-73.9	-92.3	0	0	0	109.8	L510 Y514 T516 E523	L510-H518 HydrophobicContact CD1-CB 3.94Å; L510-H518 HydrophobicContact CD2-CB 4.33Å; Y514-H518 WeakPolarHBondContact CB-NE2 3.28Å; Y514-H518 AromaticContact CD1-CE1 3.65Å; Y514-H518 AromaticContact CD1-NE2 3.43Å; Y514-H518 WeakPolarHBondContact CD1-NE2 3.4Å; Y514-H518 AromaticContact CG-CE1 3.89Å; Y514-H518 AromaticContact CG-NE2 3.3Å; Y514-H518 VanDerWaalsContact CG-NE2 3.3Å; T516-H518 PolarHBondContact O-CD2 3.36Å; T516-H518 PolarHBondContact OG1-NE2 3.2Å; H518-E523 HydrophobicContact CB-CG 4.08Å; H518-E523 IonicContact CE1-OE1 3.16Å; H518-E523 IonicContact CG-OE1 3.02Å; H518-E523 VanDerWaalsContact ND1-CD 3.33Å; H518-E523 IonicContact ND1-OE1 3.9Å; H518-E523 PolarHBondContact ND1-OE1 3.1Å; H518-E523 IonicContact ND1-OE2 3.81Å
519	V	69.5	Low	74.7	Confident	76 Å²	76	49.8 Å²	49.8	46%	0.461	24%	0.243	S	C	.	.			trans	-89.3	118.7	175.9	-176.3	0	0	0	0	108.6	D521 L522 E523	V519-D521 HydrophobicContact CG1-CB 4.26Å; V519-D521 PolarHBondContact O-N 2.92Å; V519-D521 VanDerWaalsContact O-N 3.15Å; V519-L522 HydrophobicContact CB-CB 4.49Å; V519-L522 HydrophobicContact CB-CD1 4.29Å; V519-L522 HydrophobicContact CB-CG 4.4Å; V519-L522 PolarHBondContact O-N 3.13Å; V519-E523 PolarHBondContact O-N 2.75Å
520	M	79.2	Confident	74.1	Confident	35 Å²	35	52.6 Å²	52.6	17%	0.172	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-34.8	-174.2	-167	175.2	-46.3	0	0	113.7	T247 Y503 Y506 E523 C524	T247-M520 HydrophobicContact CG2-CE 3.43Å; T247-M520 VanDerWaalsContact CG2-CE 3.43Å; T247-M520 HydrophobicContact CG2-SD 3.29Å; T247-M520 WeakPolarHBondContact CG2-SD 3.4Å; Y503-M520 HydrophobicContact CD2-CE 3.93Å; Y503-M520 HydrophobicContact CE2-CE 4.04Å; Y506-M520 HydrophobicContact CE1-CE 4.42Å; M520-E523 PolarHBondContact O-N 2.92Å; M520-C524 VanDerWaalsContact O-CB 3.26Å; M520-C524 WeakPolarHBondContact O-CB 3.47Å; M520-C524 PolarHBondContact O-N 2.86Å; M520-C524 PolarHBondContact O-SG 3.41Å; M520-C524 VanDerWaalsContact O-SG 3.39Å
521	D	78.2	Confident	74	Confident	51 Å²	51	52 Å²	52	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-47.6	174.5	-80.9	-23.9	0	0	0	111.7	R220 Y241 T245 V519 F525	R220-D521 IonicContact CZ-OD2 3.89Å; R220-D521 IonicContact NH2-OD1 3.97Å; R220-D521 PolarHBondContact NH2-OD1 3.5Å; R220-D521 IonicContact NH2-OD2 2.78Å; R220-D521 PolarHBondContact NH2-OD2 3.3Å; Y241-D521 PolarHBondContact OH-O 3.26Å; Y241-D521 PolarHBondContact OH-OD1 3.32Å; T245-D521 WeakPolarHBondContact CG2-OD1 3.31Å; V519-D521 HydrophobicContact CG1-CB 4.26Å; V519-D521 PolarHBondContact O-N 2.92Å; V519-D521 VanDerWaalsContact O-N 3.15Å; D521-F525 WeakPolarHBondContact O-CB 3.43Å; D521-F525 PolarHBondContact O-N 3.4Å
522	L	77	Confident	74.2	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-41.3	179.1	-69.2	177.4	0	0	0	111.5	A164 V212 I216 V519 F525 F526	A164-L522 HydrophobicContact CB-CD1 4.25Å; V212-L522 HydrophobicContact CG1-CD2 4.1Å; I216-L522 HydrophobicContact CD1-CD2 4.21Å; V519-L522 HydrophobicContact CB-CB 4.49Å; V519-L522 HydrophobicContact CB-CD1 4.29Å; V519-L522 HydrophobicContact CB-CG 4.4Å; V519-L522 PolarHBondContact O-N 3.13Å; L522-F525 CarbonylContact O-C 3.38Å; L522-F525 WeakPolarHBondContact O-CA 3.47Å; L522-F525 WeakPolarHBondContact O-CB 3.27Å; L522-F525 PolarHBondContact O-N 3.39Å; L522-F525 VanDerWaalsContact O-N 3.16Å; L522-F526 HydrophobicContact CB-CE2 4.26Å; L522-F526 WeakPolarHBondContact O-CD2 3.4Å; L522-F526 WeakPolarHBondContact O-CG 3.42Å; L522-F526 PolarHBondContact O-N 2.62Å
523	E	76.6	Confident	74.3	Confident	17 Å²	17	46.3 Å²	46.3	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-43.5	177.7	-62.8	-67.1	131.1	0	0	112.4	W499 H518 V519 M520 F525 F526 V527	W499-E523 HydrophobicContact CH2-CB 4.27Å; W499-E523 HydrophobicContact CZ2-CB 3.55Å; W499-E523 HydrophobicContact CZ2-CG 4.39Å; H518-E523 HydrophobicContact CB-CG 4.08Å; H518-E523 IonicContact CE1-OE1 3.16Å; H518-E523 IonicContact CG-OE1 3.02Å; H518-E523 VanDerWaalsContact ND1-CD 3.33Å; H518-E523 IonicContact ND1-OE1 3.9Å; H518-E523 PolarHBondContact ND1-OE1 3.1Å; H518-E523 IonicContact ND1-OE2 3.81Å; V519-E523 PolarHBondContact O-N 2.75Å; M520-E523 PolarHBondContact O-N 2.92Å; E523-F525 VanDerWaalsContact C-N 3.26Å; E523-F525 PolarHBondContact O-N 3.15Å; E523-F526 PolarHBondContact O-N 3.11Å; E523-V527 PolarHBondContact O-N 3.41Å
524	C	86.4	Confident	75.1	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-34.1	173.6	-77.5	0	0	0	0	111.7	Y241 C244 T245 M520 T528	Y241-C524 HydrophobicContact CD2-CB 4.29Å; Y241-C524 HydrophobicContact CE2-CB 4.11Å; C244-C524 HydrophobicContact CB-CB 3.67Å; C244-C524 WeakPolarHBondContact CB-SG 3.01Å; C244-C524 PolarHBondContact O-SG 3.2Å; C244-C524 VanDerWaalsContact SG-CA 3.51Å; C244-C524 WeakPolarHBondContact SG-CB 3.31Å; C244-C524 CovalentContact SG-SG 2.04Å; C244-C524 PolarHBondContact SG-SG 3.19Å; T245-C524 HydrophobicContact CG2-CB 3.67Å; M520-C524 VanDerWaalsContact O-CB 3.26Å; M520-C524 WeakPolarHBondContact O-CB 3.47Å; M520-C524 PolarHBondContact O-N 2.86Å; M520-C524 PolarHBondContact O-SG 3.41Å; M520-C524 VanDerWaalsContact O-SG 3.39Å; C524-T528 VanDerWaalsContact O-CB 3.31Å; C524-T528 WeakPolarHBondContact O-CB 3.04Å; C524-T528 PolarHBondContact O-N 2.81Å; C524-T528 PolarHBondContact O-OG1 2.97Å
525	F	86.2	Confident	76.3	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-46.5	171.2	176.7	-89.4	0	0	0	111.1	V212 I215 I216 Y241 D521 L522 E523 V527 T528 H529 L536 Y656	V212-F525 HydrophobicContact CB-CE1 4.11Å; V212-F525 HydrophobicContact CB-CZ 4.15Å; V212-F525 HydrophobicContact CG1-CD1 3.53Å; V212-F525 HydrophobicContact CG1-CD2 4.09Å; V212-F525 HydrophobicContact CG1-CE1 3.53Å; V212-F525 HydrophobicContact CG1-CE2 4.05Å; V212-F525 HydrophobicContact CG1-CG 3.83Å; V212-F525 HydrophobicContact CG1-CZ 3.79Å; V212-F525 HydrophobicContact CG2-CD1 4.37Å; V212-F525 HydrophobicContact CG2-CE1 3.58Å; V212-F525 HydrophobicContact CG2-CZ 3.8Å; I215-F525 HydrophobicContact CB-CE2 3.99Å; I215-F525 HydrophobicContact CD1-CE2 4.5Å; I215-F525 HydrophobicContact CD1-CZ 4.37Å; I215-F525 HydrophobicContact CG2-CE2 3.76Å; I216-F525 HydrophobicContact CD1-CB 3.94Å; I216-F525 HydrophobicContact CD1-CD2 4.11Å; I216-F525 HydrophobicContact CD1-CG 4.15Å; I216-F525 HydrophobicContact CG1-CB 4.14Å; I216-F525 HydrophobicContact CG1-CD2 3.57Å; I216-F525 HydrophobicContact CG1-CE2 4.33Å; I216-F525 HydrophobicContact CG1-CG 4.1Å; Y241-F525 HydrophobicContact CE2-CB 4Å; D521-F525 WeakPolarHBondContact O-CB 3.43Å; D521-F525 PolarHBondContact O-N 3.4Å; L522-F525 CarbonylContact O-C 3.38Å; L522-F525 WeakPolarHBondContact O-CA 3.47Å; L522-F525 WeakPolarHBondContact O-CB 3.27Å; L522-F525 PolarHBondContact O-N 3.39Å; L522-F525 VanDerWaalsContact O-N 3.16Å; E523-F525 VanDerWaalsContact C-N 3.26Å; E523-F525 PolarHBondContact O-N 3.15Å; F525-V527 PolarHBondContact O-N 2.74Å; F525-T528 CarbonylContact O-C 3.55Å; F525-T528 WeakPolarHBondContact O-CA 3.26Å; F525-T528 WeakPolarHBondContact O-CB 3.48Å; F525-T528 PolarHBondContact O-N 3.42Å; F525-T528 VanDerWaalsContact O-N 3.1Å; F525-H529 HydrophobicContact CE1-CB 4.34Å; F525-H529 WeakPolarHBondContact O-CB 3.48Å; F525-H529 PolarHBondContact O-N 3.47Å; F525-L536 HydrophobicContact CE2-CD1 3.87Å; F525-L536 HydrophobicContact CZ-CD1 4Å; F525-Y656 HydrophobicContact CZ-CE2 4.22Å
526	F	78.5	Confident	77.9	Confident	65 Å²	65	32.2 Å²	32.2	29%	0.285	17%	0.166	S	C	.	.	H	α-helix	trans	-60.9	-45.3	178	-66.4	-47.8	0	0	0	111.9	P167 L522 E523 T528 H529 E530	P167-F526 HydrophobicContact CG-CZ 4.32Å; L522-F526 HydrophobicContact CB-CE2 4.26Å; L522-F526 WeakPolarHBondContact O-CD2 3.4Å; L522-F526 WeakPolarHBondContact O-CG 3.42Å; L522-F526 PolarHBondContact O-N 2.62Å; E523-F526 PolarHBondContact O-N 3.11Å; F526-T528 VanDerWaalsContact C-N 3.29Å; F526-T528 PolarHBondContact O-N 3.12Å; F526-H529 WeakPolarHBondContact O-CB 3.4Å; F526-H529 PolarHBondContact O-N 3.37Å; F526-H529 VanDerWaalsContact O-N 3.12Å; F526-E530 VanDerWaalsContact O-CG 3.31Å; F526-E530 WeakPolarHBondContact O-CG 3.46Å; F526-E530 PolarHBondContact O-N 2.86Å
527	V	80.4	Confident	79.5	Confident	9 Å²	9	28.4 Å²	28.4	6%	0.055	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-40.3	173.7	176	0	0	0	0	111.4	F240 W499 E523 F525 H529 L531	F240-V527 HydrophobicContact CE1-CG1 4.19Å; F240-V527 HydrophobicContact CZ-CG1 4.08Å; W499-V527 HydrophobicContact CE3-CG2 4.48Å; W499-V527 HydrophobicContact CH2-CG2 3.69Å; W499-V527 HydrophobicContact CZ3-CG2 3.66Å; E523-V527 PolarHBondContact O-N 3.41Å; F525-V527 PolarHBondContact O-N 2.74Å; V527-H529 VanDerWaalsContact C-N 3.31Å; V527-H529 PolarHBondContact O-N 2.94Å; V527-L531 HydrophobicContact CG1-CD1 3.88Å; V527-L531 WeakPolarHBondContact O-CD1 3.34Å; V527-L531 WeakPolarHBondContact O-CG 3.49Å; V527-L531 PolarHBondContact O-N 3.1Å
528	T	87.3	Confident	81.2	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-37.9	175.9	-56.7	0	0	0	0	111.3	V237 F240 C524 F525 F526 F532 L536	V237-T528 HydrophobicContact CG1-CG2 3.57Å; F240-T528 HydrophobicContact CD1-CG2 4.34Å; C524-T528 VanDerWaalsContact O-CB 3.31Å; C524-T528 WeakPolarHBondContact O-CB 3.04Å; C524-T528 PolarHBondContact O-N 2.81Å; C524-T528 PolarHBondContact O-OG1 2.97Å; F525-T528 CarbonylContact O-C 3.55Å; F525-T528 WeakPolarHBondContact O-CA 3.26Å; F525-T528 WeakPolarHBondContact O-CB 3.48Å; F525-T528 PolarHBondContact O-N 3.42Å; F525-T528 VanDerWaalsContact O-N 3.1Å; F526-T528 VanDerWaalsContact C-N 3.29Å; F526-T528 PolarHBondContact O-N 3.12Å; T528-F532 HydrophobicContact CG2-CD2 4.09Å; T528-F532 WeakPolarHBondContact O-CA 3.49Å; T528-F532 WeakPolarHBondContact O-CB 3.43Å; T528-F532 PolarHBondContact O-N 3.12Å; T528-L536 HydrophobicContact CG2-CD1 4.31Å; T528-L536 HydrophobicContact CG2-CD2 4Å; T528-L536 HydrophobicContact CG2-CG 4.47Å
529	H	82.4	Confident	82.7	Confident	17 Å²	17	19.3 Å²	19.3	8%	0.079	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-52	176.1	170.6	55.7	0	0	0	111.6	F525 F526 V527 L531 F532 D533 L536 M654 Y656	F525-H529 HydrophobicContact CE1-CB 4.34Å; F525-H529 WeakPolarHBondContact O-CB 3.48Å; F525-H529 PolarHBondContact O-N 3.47Å; F526-H529 WeakPolarHBondContact O-CB 3.4Å; F526-H529 PolarHBondContact O-N 3.37Å; F526-H529 VanDerWaalsContact O-N 3.12Å; V527-H529 VanDerWaalsContact C-N 3.31Å; V527-H529 PolarHBondContact O-N 2.94Å; H529-L531 PolarHBondContact O-N 2.91Å; H529-L531 VanDerWaalsContact O-N 3.07Å; H529-F532 PolarHBondContact O-N 3.44Å; H529-D533 WeakPolarHBondContact ND1-CB 3.37Å; H529-D533 WeakPolarHBondContact O-CA 3.06Å; H529-D533 WeakPolarHBondContact O-CB 3.1Å; H529-D533 PolarHBondContact O-N 3.35Å; H529-L536 HydrophobicContact CB-CD1 3.86Å; H529-M654 PolarHBondContact CE1-SD 2.67Å; H529-M654 WeakPolarHBondContact NE2-CE 3.49Å; H529-M654 PolarHBondContact NE2-SD 3.04Å; H529-M654 VanDerWaalsContact NE2-SD 3.41Å; H529-Y656 PolarHBondContact CE1-OH 2.77Å; H529-Y656 VanDerWaalsContact CE1-OH 3.26Å; H529-Y656 AromaticContact ND1-CZ 3.87Å; H529-Y656 PolarHBondContact ND1-OH 3.35Å
530	E	72.4	Confident	83.7	Confident	62 Å²	62	15.9 Å²	15.9	29%	0.29	8%	0.078	S	C	.	.	H	α-helix	trans	-54.1	-32.1	179.3	-71.3	-64.2	105.4	0	0	111.9	G18 Q19 F21 F526	G18-E530 VanDerWaalsContact CA-CD 3.44Å; G18-E530 WeakPolarHBondContact CA-O 3.13Å; G18-E530 WeakPolarHBondContact CA-OE2 3.32Å; G18-E530 PolarHBondContact N-OE2 3.35Å; Q19-E530 PolarHBondContact N-OE2 3.46Å; F21-E530 WeakPolarHBondContact CD2-O 2.79Å; F526-E530 VanDerWaalsContact O-CG 3.31Å; F526-E530 WeakPolarHBondContact O-CG 3.46Å; F526-E530 PolarHBondContact O-N 2.86Å
531	L	78.4	Confident	84.1	Confident	4 Å²	4	14.6 Å²	14.6	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-95.5	-33.5	-177.8	-57.9	171.5	0	0	0	113.9	L17 F240 V527 H529 L622 A625 I629	L17-L531 HydrophobicContact CB-CD2 3.99Å; L17-L531 HydrophobicContact CD1-CD2 3.64Å; L17-L531 HydrophobicContact CG-CD2 4.44Å; F240-L531 HydrophobicContact CE1-CD1 4Å; F240-L531 HydrophobicContact CE2-CD1 4Å; F240-L531 HydrophobicContact CZ-CD1 3.4Å; V527-L531 HydrophobicContact CG1-CD1 3.88Å; V527-L531 WeakPolarHBondContact O-CD1 3.34Å; V527-L531 WeakPolarHBondContact O-CG 3.49Å; V527-L531 PolarHBondContact O-N 3.1Å; H529-L531 PolarHBondContact O-N 2.91Å; H529-L531 VanDerWaalsContact O-N 3.07Å; L531-L622 HydrophobicContact CD1-CD1 4.19Å; L531-A625 HydrophobicContact CD1-CB 4.02Å; L531-A625 HydrophobicContact CD2-CB 4.5Å; L531-I629 HydrophobicContact CD2-CD1 3.26Å
532	F	86.7	Confident	84.5	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-138.3	28.2	-163.9	-48	-59.2	0	0	0	114.1	V237 F240 T528 H529 T534 V535 L536 Y609 L612 A625	V237-F532 HydrophobicContact CG1-CB 3.96Å; V237-F532 HydrophobicContact CG1-CD2 4.17Å; V237-F532 HydrophobicContact CG1-CG 4.33Å; V237-F532 HydrophobicContact CG2-CB 3.71Å; V237-F532 HydrophobicContact CG2-CD1 4.14Å; V237-F532 HydrophobicContact CG2-CD2 4Å; V237-F532 HydrophobicContact CG2-CG 3.68Å; F240-F532 HydrophobicContact CB-CE2 4.21Å; F240-F532 HydrophobicContact CD1-CD2 4.21Å; F240-F532 AromaticContact CD1-CE2 3.72Å; F240-F532 HydrophobicContact CD1-CE2 3.72Å; F240-F532 AromaticContact CD2-CE2 3.74Å; F240-F532 HydrophobicContact CD2-CE2 3.74Å; F240-F532 HydrophobicContact CD2-CZ 4.22Å; F240-F532 AromaticContact CE1-CE2 3.98Å; F240-F532 HydrophobicContact CE1-CE2 3.98Å; F240-F532 HydrophobicContact CE2-CE2 4.02Å; F240-F532 HydrophobicContact CE2-CZ 4.46Å; F240-F532 HydrophobicContact CG-CD2 4.41Å; F240-F532 AromaticContact CG-CE2 3.61Å; F240-F532 HydrophobicContact CG-CE2 3.61Å; F240-F532 HydrophobicContact CG-CZ 4.46Å; F240-F532 HydrophobicContact CZ-CE2 4.14Å; T528-F532 HydrophobicContact CG2-CD2 4.09Å; T528-F532 WeakPolarHBondContact O-CA 3.49Å; T528-F532 WeakPolarHBondContact O-CB 3.43Å; T528-F532 PolarHBondContact O-N 3.12Å; H529-F532 PolarHBondContact O-N 3.44Å; F532-T534 PolarHBondContact O-N 3.45Å; F532-V535 HydrophobicContact CB-CB 4.49Å; F532-V535 PolarHBondContact O-N 2.04Å; F532-L536 PolarHBondContact O-N 3.19Å; F532-L536 VanDerWaalsContact O-N 3.1Å; F532-Y609 HydrophobicContact CD1-CD1 4.29Å; F532-Y609 AromaticContact CD1-CE1 3.82Å; F532-Y609 HydrophobicContact CD1-CE1 3.82Å; F532-Y609 HydrophobicContact CE1-CE1 4.5Å; F532-L612 HydrophobicContact CD1-CD2 4.22Å; F532-L612 HydrophobicContact CE1-CD1 3.96Å; F532-L612 HydrophobicContact CE1-CD2 3.52Å; F532-L612 HydrophobicContact CE1-CG 4.39Å; F532-L612 HydrophobicContact CZ-CD1 3.94Å; F532-L612 HydrophobicContact CZ-CD2 3.81Å; F532-A625 HydrophobicContact CE1-CB 4.41Å; F532-A625 HydrophobicContact CZ-CB 3.72Å
533	D	79.4	Confident	84.7	Confident	22 Å²	22	22 Å²	22	12%	0.118	10%	0.103	C	C	.	.	H	α-helix	trans	-44.1	-38.7	178.5	71.5	-23.5	0	0	0	114.7	H529 V535 L536 G537 S649	H529-D533 WeakPolarHBondContact ND1-CB 3.37Å; H529-D533 WeakPolarHBondContact O-CA 3.06Å; H529-D533 WeakPolarHBondContact O-CB 3.1Å; H529-D533 PolarHBondContact O-N 3.35Å; D533-V535 PolarHBondContact O-N 3.05Å; D533-L536 PolarHBondContact O-N 3.39Å; D533-G537 PolarHBondContact O-N 2.92Å; D533-S649 WeakPolarHBondContact OD2-CB 3.48Å; D533-S649 PolarHBondContact OD2-OG 2.94Å
534	T	85.1	Confident	84.8	Confident	18 Å²	18	24.3 Å²	24.3	11%	0.11	11%	0.114	C	C	.	.	H	α-helix	trans	-70.1	-35	-177	-56.8	0	0	0	0	111.2	F532 A538 I598 M599 L605	F532-T534 PolarHBondContact O-N 3.45Å; T534-A538 PolarHBondContact O-N 2.7Å; T534-I598 HydrophobicContact CG2-CD1 3.81Å; T534-I598 HydrophobicContact CG2-CG2 3.71Å; T534-M599 HydrophobicContact CG2-CE 4.12Å; T534-M599 HydrophobicContact CG2-CG 3.99Å; T534-L605 HydrophobicContact CG2-CD1 4.15Å
535	V	91.2	Very high	84.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-73	-41.6	173.5	-177.4	0	0	0	0	110.5	A233 K234 V237 F532 D533 G537 A538 I539 L605 Y609	A233-V535 HydrophobicContact CB-CG2 4.12Å; K234-V535 HydrophobicContact CG-CG1 4.21Å; V237-V535 HydrophobicContact CB-CB 4.34Å; V237-V535 HydrophobicContact CB-CG1 3.84Å; V237-V535 HydrophobicContact CG1-CB 4.44Å; V237-V535 HydrophobicContact CG1-CG1 4.22Å; V237-V535 HydrophobicContact CG2-CB 3.82Å; V237-V535 HydrophobicContact CG2-CG1 3.72Å; V237-V535 HydrophobicContact CG2-CG2 3.83Å; F532-V535 HydrophobicContact CB-CB 4.49Å; F532-V535 PolarHBondContact O-N 2.04Å; D533-V535 PolarHBondContact O-N 3.05Å; V535-G537 VanDerWaalsContact C-N 3.27Å; V535-G537 PolarHBondContact O-N 3.3Å; V535-A538 WeakPolarHBondContact O-CB 3.4Å; V535-A538 PolarHBondContact O-N 2.88Å; V535-I539 HydrophobicContact CG1-CD1 4.16Å; V535-I539 WeakPolarHBondContact O-CG1 3.32Å; V535-I539 PolarHBondContact O-N 3.42Å; V535-L605 HydrophobicContact CG1-CD2 4.5Å; V535-L605 HydrophobicContact CG2-CD1 4.16Å; V535-L605 HydrophobicContact CG2-CG 4.42Å; V535-Y609 HydrophobicContact CG2-CD1 4.39Å; V535-Y609 HydrophobicContact CG2-CD2 3.63Å; V535-Y609 HydrophobicContact CG2-CE1 4.07Å; V535-Y609 HydrophobicContact CG2-CE2 3.24Å; V535-Y609 HydrophobicContact CG2-CG 4.19Å; V535-Y609 VanDerWaalsContact CG2-CZ 3.48Å
536	L	89.5	Confident	84	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-40.8	174.7	-60	-172.1	0	0	0	111.2	I215 L219 V237 F525 T528 H529 F532 D533 I539 Y540 Y656	I215-L536 HydrophobicContact CG2-CB 4.33Å; I215-L536 HydrophobicContact CG2-CD2 3.92Å; L219-L536 HydrophobicContact CD1-CD2 3.92Å; L219-L536 HydrophobicContact CD2-CD2 4.01Å; L219-L536 HydrophobicContact CG-CD2 4.37Å; V237-L536 HydrophobicContact CG1-CD2 3.97Å; F525-L536 HydrophobicContact CE2-CD1 3.87Å; F525-L536 HydrophobicContact CZ-CD1 4Å; T528-L536 HydrophobicContact CG2-CD1 4.31Å; T528-L536 HydrophobicContact CG2-CD2 4Å; T528-L536 HydrophobicContact CG2-CG 4.47Å; H529-L536 HydrophobicContact CB-CD1 3.86Å; F532-L536 PolarHBondContact O-N 3.19Å; F532-L536 VanDerWaalsContact O-N 3.1Å; D533-L536 PolarHBondContact O-N 3.39Å; L536-I539 PolarHBondContact O-N 3.42Å; L536-Y540 WeakPolarHBondContact O-CB 3.31Å; L536-Y540 PolarHBondContact O-N 3.4Å; L536-Y656 HydrophobicContact CB-CE1 4.27Å
537	G	88.3	Confident	84.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-38.5	174.5	0	0	0	0	0	113.3	D533 V535 Y540 T541	D533-G537 PolarHBondContact O-N 2.92Å; V535-G537 VanDerWaalsContact C-N 3.27Å; V535-G537 PolarHBondContact O-N 3.3Å; G537-Y540 PolarHBondContact O-N 3.18Å; G537-T541 VanDerWaalsContact O-CB 3.26Å; G537-T541 WeakPolarHBondContact O-CB 3.39Å; G537-T541 PolarHBondContact O-N 3.04Å; G537-T541 PolarHBondContact O-OG1 3.05Å
538	A	91.4	Very high	84.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-44.9	172.8	0	0	0	0	0	112.2	T534 V535 Y540 T541 E542 M599 L605	T534-A538 PolarHBondContact O-N 2.7Å; V535-A538 WeakPolarHBondContact O-CB 3.4Å; V535-A538 PolarHBondContact O-N 2.88Å; A538-Y540 VanDerWaalsContact C-N 3.31Å; A538-Y540 PolarHBondContact O-N 3.03Å; A538-T541 PolarHBondContact O-N 3.2Å; A538-E542 WeakPolarHBondContact O-CB 3.45Å; A538-E542 PolarHBondContact O-N 3.08Å; A538-M599 WeakPolarHBondContact CA-O 3.5Å; A538-M599 HydrophobicContact CB-CB 4.08Å; A538-M599 WeakPolarHBondContact CB-O 3.31Å; A538-L605 HydrophobicContact CB-CD1 4.47Å; A538-L605 HydrophobicContact CB-CD2 3.63Å
539	I	93.1	Very high	84.4	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-42	176.3	-68.1	168.3	0	0	0	110.8	S218 L219 I222 K234 V535 L536	S218-I539 VanDerWaalsContact CB-CG2 3.47Å; L219-I539 HydrophobicContact CD2-CD1 3.58Å; L219-I539 HydrophobicContact CG-CD1 4.44Å; I222-I539 HydrophobicContact CD1-CD1 3.87Å; I222-I539 HydrophobicContact CD1-CG1 3.95Å; I222-I539 HydrophobicContact CD1-CG2 4.24Å; K234-I539 HydrophobicContact CB-CD1 4.47Å; K234-I539 HydrophobicContact CB-CG1 4.44Å; K234-I539 HydrophobicContact CD-CG1 4.24Å; K234-I539 HydrophobicContact CG-CD1 4.44Å; K234-I539 HydrophobicContact CG-CG1 3.96Å; V535-I539 HydrophobicContact CG1-CD1 4.16Å; V535-I539 WeakPolarHBondContact O-CG1 3.32Å; V535-I539 PolarHBondContact O-N 3.42Å; L536-I539 PolarHBondContact O-N 3.42Å
540	Y	89.9	Confident	84.7	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-50.7	177.2	-176.7	-95.8	0	0	0	111.8	N211 I215 L536 G537 A538 E542 K543 H544 V655 P673 G674	N211-Y540 HydrophobicContact CB-CE2 3.92Å; I215-Y540 HydrophobicContact CD1-CD2 4.06Å; I215-Y540 HydrophobicContact CD1-CG 4.4Å; I215-Y540 HydrophobicContact CG1-CD2 4Å; L536-Y540 WeakPolarHBondContact O-CB 3.31Å; L536-Y540 PolarHBondContact O-N 3.4Å; G537-Y540 PolarHBondContact O-N 3.18Å; A538-Y540 VanDerWaalsContact C-N 3.31Å; A538-Y540 PolarHBondContact O-N 3.03Å; Y540-E542 VanDerWaalsContact C-N 3.33Å; Y540-E542 PolarHBondContact O-N 3.08Å; Y540-K543 PolarHBondContact O-N 2.58Å; Y540-H544 HydrophobicContact CD1-CB 4.42Å; Y540-H544 AromaticContact CD2-ND1 3.74Å; Y540-H544 HydrophobicContact CE1-CB 3.86Å; Y540-H544 HydrophobicContact CE2-CB 4.36Å; Y540-H544 AromaticContact CE2-CE1 3.95Å; Y540-H544 AromaticContact CE2-CG 3.84Å; Y540-H544 AromaticContact CE2-ND1 3.66Å; Y540-H544 AromaticContact CZ-CG 3.76Å; Y540-H544 PolarHBondContact O-N 3.34Å; Y540-H544 PolarHBondContact O-ND1 3.2Å; Y540-V655 HydrophobicContact CD1-CG2 4.46Å; Y540-P673 HydrophobicContact CD1-CB 4.4Å; Y540-P673 HydrophobicContact CE1-CB 3.87Å; Y540-G674 WeakPolarHBondContact OH-CA 3.44Å
541	T	88.3	Confident	85.5	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-40.8	-175.8	-59.8	0	0	0	0	111.8	G537 A538 K543 H544 M545 V595 R600	G537-T541 VanDerWaalsContact O-CB 3.26Å; G537-T541 WeakPolarHBondContact O-CB 3.39Å; G537-T541 PolarHBondContact O-N 3.04Å; G537-T541 PolarHBondContact O-OG1 3.05Å; A538-T541 PolarHBondContact O-N 3.2Å; T541-K543 PolarHBondContact O-N 3.35Å; T541-K543 VanDerWaalsContact O-N 3.15Å; T541-H544 PolarHBondContact O-N 3.44Å; T541-M545 HydrophobicContact CG2-CB 3.76Å; T541-M545 HydrophobicContact CG2-CG 3.9Å; T541-M545 WeakPolarHBondContact O-CB 3.4Å; T541-M545 PolarHBondContact O-N 2.7Å; T541-V595 HydrophobicContact CG2-CB 4.37Å; T541-V595 HydrophobicContact CG2-CG1 4.12Å; T541-V595 HydrophobicContact CG2-CG2 4.14Å; T541-R600 HydrophobicContact CG2-CG 4.2Å
542	E	86.8	Confident	86	Confident	122 Å²	122	39.5 Å²	39.5	57%	0.57	19%	0.192	S	C	*	.	H	α-helix	trans	-55.8	-32.4	-179.7	-178.5	173.7	-164.5	0	0	113.4	K234 A538 Y540	K234-E542 IonicContact NZ-OE1 3.98Å; K234-E542 IonicContact NZ-OE2 3.72Å; K234-E542 PolarHBondContact NZ-OE2 2.92Å; A538-E542 WeakPolarHBondContact O-CB 3.45Å; A538-E542 PolarHBondContact O-N 3.08Å; Y540-E542 VanDerWaalsContact C-N 3.33Å; Y540-E542 PolarHBondContact O-N 3.08Å
543	K	80.7	Confident	86.4	Confident	111 Å²	111	39.5 Å²	39.5	48%	0.483	19%	0.192	S	C	.	.	H	α-helix	trans	-99.6	-22.9	-177.6	-69.4	-176.2	178.5	179.4	0	114.5	S218 Y540 T541	S218-K543 PolarHBondContact OG-NZ 2.93Å; Y540-K543 PolarHBondContact O-N 2.58Å; T541-K543 PolarHBondContact O-N 3.35Å; T541-K543 VanDerWaalsContact O-N 3.15Å
544	H	78	Confident	87	Confident	65 Å²	65	41 Å²	41	30%	0.301	20%	0.199	S	C	.	.	H	α-helix	trans	-120.1	-11.6	-166.4	-58.6	87.6	0	0	0	114.6	Y540 T541	Y540-H544 HydrophobicContact CD1-CB 4.42Å; Y540-H544 AromaticContact CD2-ND1 3.74Å; Y540-H544 HydrophobicContact CE1-CB 3.86Å; Y540-H544 HydrophobicContact CE2-CB 4.36Å; Y540-H544 AromaticContact CE2-CE1 3.95Å; Y540-H544 AromaticContact CE2-CG 3.84Å; Y540-H544 AromaticContact CE2-ND1 3.66Å; Y540-H544 AromaticContact CZ-CG 3.76Å; Y540-H544 PolarHBondContact O-N 3.34Å; Y540-H544 PolarHBondContact O-ND1 3.2Å; T541-H544 PolarHBondContact O-N 3.44Å
545	M	77.9	Confident	87.4	Confident	23 Å²	23	43.1 Å²	43.1	11%	0.113	21%	0.207	C	C	.	.			trans	-104.5	113.2	-179.8	-77.7	-58.4	-53.6	0	0	112.7	T541 T549 E550 V595 P673 L676	T541-M545 HydrophobicContact CG2-CB 3.76Å; T541-M545 HydrophobicContact CG2-CG 3.9Å; T541-M545 WeakPolarHBondContact O-CB 3.4Å; T541-M545 PolarHBondContact O-N 2.7Å; M545-T549 HydrophobicContact CE-CG2 4.29Å; M545-E550 HydrophobicContact CE-CG 3.24Å; M545-E550 VanDerWaalsContact CE-OE1 3.31Å; M545-E550 WeakPolarHBondContact CE-OE1 3.4Å; M545-V595 HydrophobicContact CG-CG2 4.37Å; M545-P673 HydrophobicContact CG-CB 3.74Å; M545-P673 HydrophobicContact CG-CG 3.93Å; M545-P673 HydrophobicContact SD-CB 3.41Å; M545-P673 WeakPolarHBondContact SD-CB 3.21Å; M545-P673 HydrophobicContact SD-CG 3.64Å; M545-L676 HydrophobicContact CE-CD1 4.5Å; M545-L676 HydrophobicContact SD-CD1 4.26Å
546	H	78.7	Confident	87.6	Confident	92 Å²	92	43.2 Å²	43.2	43%	0.426	21%	0.208	S	C	.	.			trans	-102.2	146	172.2	-59.2	-61	0	0	0	110.7	E548 T549 E550	H546-E548 PolarHBondContact O-N 3.05Å; H546-T549 WeakPolarHBondContact O-CB 3.33Å; H546-T549 PolarHBondContact O-N 3.19Å; H546-T549 VanDerWaalsContact O-N 3.08Å; H546-E550 PolarHBondContact O-N 2.8Å
547	N	81.8	Confident	87.8	Confident	127 Å²	127	43.6 Å²	43.6	68%	0.679	21%	0.21	S	C	*	.	H	α-helix	trans	-60.9	-32.1	179.4	-73.2	-20.1	0	0	0	111.7	T549 E550 N551	N547-T549 VanDerWaalsContact C-N 3.33Å; N547-E550 PolarHBondContact O-N 3.21Å; N547-N551 PolarHBondContact O-N 3.29Å; N547-N551 VanDerWaalsContact O-N 3.12Å
548	E	84.3	Confident	88.2	Confident	111 Å²	111	47.6 Å²	47.6	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-42.2	175.8	-66.3	77.3	-174.8	0	0	111.7	H546 N551 E552	H546-E548 PolarHBondContact O-N 3.05Å; E548-N551 PolarHBondContact O-N 2.83Å; E548-E552 WeakPolarHBondContact O-CB 3.1Å; E548-E552 PolarHBondContact O-N 3.4Å
549	T	88.9	Confident	88.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-45.6	177.5	-65.2	0	0	0	0	110.9	M545 H546 N547 N551 E552 V553 L676 F681	M545-T549 HydrophobicContact CE-CG2 4.29Å; H546-T549 WeakPolarHBondContact O-CB 3.33Å; H546-T549 PolarHBondContact O-N 3.19Å; H546-T549 VanDerWaalsContact O-N 3.08Å; N547-T549 VanDerWaalsContact C-N 3.33Å; T549-N551 PolarHBondContact O-N 3.47Å; T549-E552 PolarHBondContact O-N 3.35Å; T549-V553 WeakPolarHBondContact O-CG2 2.86Å; T549-V553 PolarHBondContact O-N 2.91Å; T549-L676 HydrophobicContact CG2-CB 3.85Å; T549-L676 HydrophobicContact CG2-CD1 3.52Å; T549-L676 HydrophobicContact CG2-CG 4.24Å; T549-F681 HydrophobicContact CG2-CD1 4.48Å; T549-F681 HydrophobicContact CG2-CE1 3.73Å; T549-F681 HydrophobicContact CG2-CZ 4.44Å
550	E	87.4	Confident	88.5	Confident	25 Å²	25	49 Å²	49	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-43.7	179.2	-67	-177.2	-150.7	0	0	112.5	M545 H546 N547 E554 F593 R600	M545-E550 HydrophobicContact CE-CG 3.24Å; M545-E550 VanDerWaalsContact CE-OE1 3.31Å; M545-E550 WeakPolarHBondContact CE-OE1 3.4Å; H546-E550 PolarHBondContact O-N 2.8Å; N547-E550 PolarHBondContact O-N 3.21Å; E550-E554 VanDerWaalsContact O-CB 3.31Å; E550-E554 WeakPolarHBondContact O-CB 3.42Å; E550-E554 PolarHBondContact O-N 2.98Å; E550-F593 WeakPolarHBondContact O-CE2 3.47Å; E550-R600 IonicContact OE1-CZ 3.78Å; E550-R600 IonicContact OE1-NE 3.23Å; E550-R600 IonicContact OE1-NH2 2.7Å; E550-R600 PolarHBondContact OE1-NH2 3.47Å; E550-R600 IonicContact OE2-CZ 2.78Å; E550-R600 IonicContact OE2-NH2 3.13Å; E550-R600 PolarHBondContact OE2-NH2 3Å; E550-R600 VanDerWaalsContact OE2-NH2 3.08Å
551	N	89.3	Confident	88.8	Confident	88 Å²	88	52.2 Å²	52.2	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-40.8	179	-179.5	59	0	0	0	111.6	N547 E548 T549 E554 Q555	N547-N551 PolarHBondContact O-N 3.29Å; N547-N551 VanDerWaalsContact O-N 3.12Å; E548-N551 PolarHBondContact O-N 2.83Å; T549-N551 PolarHBondContact O-N 3.47Å; N551-E554 PolarHBondContact O-N 2.91Å; N551-Q555 VanDerWaalsContact O-CG 3.29Å; N551-Q555 WeakPolarHBondContact O-CG 3.33Å; N551-Q555 PolarHBondContact O-N 3.31Å
552	E	90.2	Very high	89.1	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.028	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-43.3	178.8	-170.9	168.9	167.7	0	0	112	E548 T549 Q555 M556 F681 H683 N690	E548-E552 WeakPolarHBondContact O-CB 3.1Å; E548-E552 PolarHBondContact O-N 3.4Å; T549-E552 PolarHBondContact O-N 3.35Å; E552-Q555 PolarHBondContact O-N 3.49Å; E552-M556 WeakPolarHBondContact O-CB 3.37Å; E552-M556 PolarHBondContact O-N 3.28Å; E552-F681 HydrophobicContact CB-CZ 4.28Å; E552-F681 HydrophobicContact CG-CE2 4.24Å; E552-F681 HydrophobicContact CG-CZ 4.17Å; E552-H683 WeakPolarHBondContact OE2-CA 3.21Å; E552-N690 PolarHBondContact OE1-ND2 3.3Å
553	V	93.6	Very high	89.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-40.7	174.3	175.5	0	0	0	0	111.3	T549 Q555 M556 T557 F593 I671 L676 F681 L694	T549-V553 WeakPolarHBondContact O-CG2 2.86Å; T549-V553 PolarHBondContact O-N 2.91Å; V553-Q555 VanDerWaalsContact C-N 3.3Å; V553-Q555 PolarHBondContact O-N 3.23Å; V553-M556 PolarHBondContact O-N 3.01Å; V553-T557 HydrophobicContact CG1-CG2 4.25Å; V553-T557 VanDerWaalsContact O-CG2 3.25Å; V553-T557 WeakPolarHBondContact O-CG2 3.13Å; V553-T557 PolarHBondContact O-N 3.3Å; V553-T557 PolarHBondContact O-OG1 3.04Å; V553-T557 VanDerWaalsContact O-OG1 3.11Å; V553-F593 HydrophobicContact CB-CD2 4.38Å; V553-F593 HydrophobicContact CG1-CB 3.88Å; V553-F593 HydrophobicContact CG1-CD1 4.08Å; V553-F593 HydrophobicContact CG1-CD2 4.07Å; V553-F593 HydrophobicContact CG1-CG 3.73Å; V553-I671 HydrophobicContact CG1-CD1 4.05Å; V553-L676 HydrophobicContact CG2-CD1 4.08Å; V553-L676 HydrophobicContact CG2-CD2 3.78Å; V553-F681 HydrophobicContact CG2-CE2 4.38Å; V553-F681 HydrophobicContact CG2-CZ 4.22Å; V553-L694 HydrophobicContact CG2-CD2 4.01Å
554	E	93.5	Very high	90.2	Very high	54 Å²	54	44.1 Å²	44.1	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-43.7	175.9	-172.1	175.8	141.9	0	0	111.5	E550 N551 T557 K558 F593 K594	E550-E554 VanDerWaalsContact O-CB 3.31Å; E550-E554 WeakPolarHBondContact O-CB 3.42Å; E550-E554 PolarHBondContact O-N 2.98Å; N551-E554 PolarHBondContact O-N 2.91Å; E554-T557 PolarHBondContact O-OG1 3.16Å; E554-K558 WeakPolarHBondContact O-CG 3.43Å; E554-K558 PolarHBondContact O-N 2.94Å; E554-K558 WeakPolarHBondContact OE1-CE 3.31Å; E554-K558 IonicContact OE1-NZ 2.93Å; E554-K558 PolarHBondContact OE1-NZ 3.46Å; E554-F593 HydrophobicContact CB-CE1 4.34Å; E554-F593 HydrophobicContact CB-CE2 3.94Å; E554-F593 HydrophobicContact CB-CZ 3.47Å; E554-F593 VanDerWaalsContact CB-CZ 3.47Å; E554-F593 HydrophobicContact CG-CE1 4.5Å; E554-F593 HydrophobicContact CG-CZ 3.76Å; E554-K594 IonicContact OE2-NZ 3.93Å; E554-K594 PolarHBondContact OE2-NZ 3.44Å
555	Q	92.7	Very high	90.9	Very high	62 Å²	62	44 Å²	44	29%	0.29	21%	0.212	S	C	.	.	H	α-helix	trans	-67.2	-45.6	175.7	-66.2	-61	-31.9	0	0	110.5	N551 E552 V553 T557 K558 Y559 W788	N551-Q555 VanDerWaalsContact O-CG 3.29Å; N551-Q555 WeakPolarHBondContact O-CG 3.33Å; N551-Q555 PolarHBondContact O-N 3.31Å; E552-Q555 PolarHBondContact O-N 3.49Å; V553-Q555 VanDerWaalsContact C-N 3.3Å; V553-Q555 PolarHBondContact O-N 3.23Å; Q555-T557 VanDerWaalsContact C-N 3.25Å; Q555-T557 PolarHBondContact O-N 2.96Å; Q555-K558 WeakPolarHBondContact O-CA 2.81Å; Q555-K558 WeakPolarHBondContact O-CB 3.45Å; Q555-K558 PolarHBondContact O-N 3.26Å; Q555-Y559 WeakPolarHBondContact O-CD2 3.33Å; Q555-Y559 PolarHBondContact O-N 3.48Å; Q555-Y559 VanDerWaalsContact O-N 3.13Å; Q555-W788 VanDerWaalsContact C-CZ3 3.44Å; Q555-W788 HydrophobicContact CB-CH2 3.27Å; Q555-W788 HydrophobicContact CB-CZ2 4.47Å; Q555-W788 HydrophobicContact CB-CZ3 3.32Å; Q555-W788 HydrophobicContact CG-CH2 4.26Å
556	M	95	Very high	91.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-57	-44.1	-177	-179.7	-172.9	-71.4	0	0	110.5	E552 V553 K558 Y559 L560 F681 N690 F691 L694 I698 W788	E552-M556 WeakPolarHBondContact O-CB 3.37Å; E552-M556 PolarHBondContact O-N 3.28Å; V553-M556 PolarHBondContact O-N 3.01Å; M556-K558 VanDerWaalsContact C-N 3.32Å; M556-K558 PolarHBondContact O-N 3.47Å; M556-Y559 PolarHBondContact O-N 3.12Å; M556-L560 HydrophobicContact CG-CD1 3.99Å; M556-L560 HydrophobicContact CG-CG 4.46Å; M556-L560 WeakPolarHBondContact O-CG 3.34Å; M556-L560 PolarHBondContact O-N 3.03Å; M556-F681 HydrophobicContact CE-CD2 4.41Å; M556-F681 HydrophobicContact CE-CE2 4.29Å; M556-N690 HydrophobicContact CE-CB 3.81Å; M556-F691 HydrophobicContact CB-CZ 4.35Å; M556-F691 HydrophobicContact CE-CD2 4.3Å; M556-F691 HydrophobicContact CE-CE2 4.47Å; M556-F691 HydrophobicContact CE-CG 4.47Å; M556-F691 HydrophobicContact CG-CD1 4.22Å; M556-F691 HydrophobicContact CG-CE1 3.73Å; M556-F691 HydrophobicContact CG-CE2 4.37Å; M556-F691 HydrophobicContact CG-CZ 3.82Å; M556-L694 HydrophobicContact SD-CB 4.42Å; M556-L694 HydrophobicContact SD-CD2 4.17Å; M556-L694 HydrophobicContact SD-CG 4.19Å; M556-I698 HydrophobicContact SD-CD1 3.99Å; M556-W788 HydrophobicContact CB-CZ3 4.46Å
557	T	95.1	Very high	92.3	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.049	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-31.5	178	59.1	0	0	0	0	113.2	V553 E554 Q555 R561 I591 I671 I698	V553-T557 HydrophobicContact CG1-CG2 4.25Å; V553-T557 VanDerWaalsContact O-CG2 3.25Å; V553-T557 WeakPolarHBondContact O-CG2 3.13Å; V553-T557 PolarHBondContact O-N 3.3Å; V553-T557 PolarHBondContact O-OG1 3.04Å; V553-T557 VanDerWaalsContact O-OG1 3.11Å; E554-T557 PolarHBondContact O-OG1 3.16Å; Q555-T557 VanDerWaalsContact C-N 3.25Å; Q555-T557 PolarHBondContact O-N 2.96Å; T557-R561 WeakPolarHBondContact O-CB 3.4Å; T557-R561 PolarHBondContact O-N 3.11Å; T557-I591 HydrophobicContact CG2-CB 4.43Å; T557-I591 HydrophobicContact CG2-CD1 4.18Å; T557-I591 HydrophobicContact CG2-CG2 3.64Å; T557-I671 HydrophobicContact CG2-CD1 3.82Å; T557-I698 HydrophobicContact CG2-CD1 4.37Å
558	K	95	Very high	92.7	Very high	85 Å²	85	35.8 Å²	35.8	37%	0.37	17%	0.171	S	C	.	.	H	α-helix	trans	-64.4	-47.8	172	-71.6	169.1	-173	164.2	0	111.3	E554 Q555 M556 R561 T562	E554-K558 WeakPolarHBondContact O-CG 3.43Å; E554-K558 PolarHBondContact O-N 2.94Å; E554-K558 WeakPolarHBondContact OE1-CE 3.31Å; E554-K558 IonicContact OE1-NZ 2.93Å; E554-K558 PolarHBondContact OE1-NZ 3.46Å; Q555-K558 WeakPolarHBondContact O-CA 2.81Å; Q555-K558 WeakPolarHBondContact O-CB 3.45Å; Q555-K558 PolarHBondContact O-N 3.26Å; M556-K558 VanDerWaalsContact C-N 3.32Å; M556-K558 PolarHBondContact O-N 3.47Å; K558-R561 PolarHBondContact O-N 3.21Å; K558-T562 PolarHBondContact O-N 3.14Å; K558-T562 PolarHBondContact O-OG1 2.95Å; K558-T562 VanDerWaalsContact O-OG1 3.11Å
559	Y	95.6	Very high	93.1	Very high	32 Å²	32	37.2 Å²	37.2	13%	0.125	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-42.6	177.8	-79.5	-91	0	0	0	112	Q555 M556 R561 T562 S563 D787 W788 D791 S792	Q555-Y559 WeakPolarHBondContact O-CD2 3.33Å; Q555-Y559 PolarHBondContact O-N 3.48Å; Q555-Y559 VanDerWaalsContact O-N 3.13Å; M556-Y559 PolarHBondContact O-N 3.12Å; Y559-R561 VanDerWaalsContact C-N 3.34Å; Y559-R561 PolarHBondContact O-N 3.49Å; Y559-T562 PolarHBondContact O-N 3.08Å; Y559-S563 WeakPolarHBondContact O-CB 2.97Å; Y559-S563 PolarHBondContact O-N 3.43Å; Y559-D787 HydrophobicContact CD1-CB 3.88Å; Y559-D787 HydrophobicContact CE1-CB 4.13Å; Y559-W788 HydrophobicContact CD1-CB 4.25Å; Y559-W788 HydrophobicContact CD2-CD2 4.17Å; Y559-W788 AromaticContact CD2-CE3 3.16Å; Y559-W788 HydrophobicContact CD2-CE3 3.16Å; Y559-W788 AromaticContact CD2-CZ3 3.65Å; Y559-W788 HydrophobicContact CD2-CZ3 3.65Å; Y559-W788 HydrophobicContact CE1-CB 4.25Å; Y559-W788 HydrophobicContact CE2-CD2 4.01Å; Y559-W788 AromaticContact CE2-CE3 3.34Å; Y559-W788 HydrophobicContact CE2-CE3 3.34Å; Y559-W788 AromaticContact CE2-CZ3 3.84Å; Y559-W788 HydrophobicContact CE2-CZ3 3.84Å; Y559-W788 HydrophobicContact CG-CB 4.43Å; Y559-W788 AromaticContact CG-CE3 3.86Å; Y559-W788 HydrophobicContact CG-CE3 3.86Å; Y559-D791 HydrophobicContact CE1-CB 4.23Å; Y559-D791 VanDerWaalsContact OH-CB 3.3Å; Y559-D791 WeakPolarHBondContact OH-CB 3.37Å; Y559-S792 PolarHBondContact OH-OG 2.99Å
560	L	96.8	Very high	93.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-44.6	174.6	-71.8	168.8	0	0	0	112.1	M556 T562 S563 L564 I698 I702 I780 A781 A784	M556-L560 HydrophobicContact CG-CD1 3.99Å; M556-L560 HydrophobicContact CG-CG 4.46Å; M556-L560 WeakPolarHBondContact O-CG 3.34Å; M556-L560 PolarHBondContact O-N 3.03Å; L560-T562 PolarHBondContact O-N 3.11Å; L560-S563 PolarHBondContact O-N 3.07Å; L560-L564 WeakPolarHBondContact O-CB 3.43Å; L560-L564 PolarHBondContact O-N 2.77Å; L560-I698 HydrophobicContact CD1-CB 3.69Å; L560-I698 HydrophobicContact CD1-CD1 4.16Å; L560-I698 HydrophobicContact CD1-CG2 3.52Å; L560-I702 HydrophobicContact CB-CD1 4.34Å; L560-I780 HydrophobicContact CD2-CG2 4.06Å; L560-A781 HydrophobicContact CD2-CB 4.09Å; L560-A784 HydrophobicContact CD2-CB 3.82Å; L560-A784 HydrophobicContact CG-CB 4.18Å
561	R	95.3	Very high	93.2	Very high	70 Å²	70	43 Å²	43	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-40.4	176.9	-173.8	-176.2	-81.7	141.5	-6.9	112	T557 K558 Y559 K565 I586 M589	T557-R561 WeakPolarHBondContact O-CB 3.4Å; T557-R561 PolarHBondContact O-N 3.11Å; K558-R561 PolarHBondContact O-N 3.21Å; Y559-R561 VanDerWaalsContact C-N 3.34Å; Y559-R561 PolarHBondContact O-N 3.49Å; R561-K565 WeakPolarHBondContact O-CG 3.5Å; R561-K565 PolarHBondContact O-N 3.25Å; R561-I586 HydrophobicContact CG-CG2 3.8Å; R561-M589 PolarHBondContact NH2-O 3.48Å
562	T	94.8	Very high	93.1	Very high	71 Å²	71	46.2 Å²	46.2	44%	0.436	22%	0.215	S	C	.	.	H	α-helix	trans	-66	-46.1	176.9	-62.7	0	0	0	0	111.3	K558 Y559 L560 L564 K565 N566	K558-T562 PolarHBondContact O-N 3.14Å; K558-T562 PolarHBondContact O-OG1 2.95Å; K558-T562 VanDerWaalsContact O-OG1 3.11Å; Y559-T562 PolarHBondContact O-N 3.08Å; L560-T562 PolarHBondContact O-N 3.11Å; T562-L564 PolarHBondContact O-N 2.73Å; T562-K565 WeakPolarHBondContact O-CB 3.33Å; T562-K565 PolarHBondContact O-N 3.49Å; T562-K565 VanDerWaalsContact O-N 3.15Å; T562-N566 PolarHBondContact O-N 3.01Å; T562-N566 VanDerWaalsContact O-N 3.07Å
563	S	95.5	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-45.9	177.5	178.1	0	0	0	0	111.2	Y559 L560 K565 N566 H567 I780 S783	Y559-S563 WeakPolarHBondContact O-CB 2.97Å; Y559-S563 PolarHBondContact O-N 3.43Å; L560-S563 PolarHBondContact O-N 3.07Å; S563-K565 VanDerWaalsContact C-N 3.32Å; S563-K565 PolarHBondContact O-N 2.93Å; S563-N566 WeakPolarHBondContact O-CA 3.24Å; S563-N566 WeakPolarHBondContact O-CB 3.43Å; S563-N566 PolarHBondContact O-N 2.92Å; S563-H567 PolarHBondContact O-N 3.44Å; S563-H567 PolarHBondContact O-ND1 3.46Å; S563-H567 PolarHBondContact OG-CE1 2.87Å; S563-H567 VanDerWaalsContact OG-CE1 3.26Å; S563-H567 PolarHBondContact OG-ND1 3.07Å; S563-I780 PolarHBondContact OG-O 2.85Å; S563-I780 VanDerWaalsContact OG-O 3.13Å; S563-S783 WeakPolarHBondContact OG-CB 3.38Å; S563-S783 PolarHBondContact OG-OG 2.81Å
564	L	94.3	Very high	93.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.4	-44.2	175.2	173	65.7	0	0	0	112.3	L560 T562 N566 H567 L568 I586 I702 V706 I780	L560-L564 WeakPolarHBondContact O-CB 3.43Å; L560-L564 PolarHBondContact O-N 2.77Å; T562-L564 PolarHBondContact O-N 2.73Å; L564-N566 PolarHBondContact O-N 3.37Å; L564-H567 PolarHBondContact O-N 3.32Å; L564-L568 PolarHBondContact O-N 2.96Å; L564-I586 HydrophobicContact CD1-CD1 4.45Å; L564-I586 HydrophobicContact CD2-CD1 3.31Å; L564-I586 HydrophobicContact CD2-CG1 3.53Å; L564-I586 HydrophobicContact CD2-CG2 4.25Å; L564-I586 HydrophobicContact CG-CD1 3.59Å; L564-I586 HydrophobicContact CG-CG1 4.35Å; L564-I702 HydrophobicContact CD2-CG2 3.41Å; L564-I702 VanDerWaalsContact CD2-CG2 3.41Å; L564-I702 HydrophobicContact CG-CG2 4.45Å; L564-V706 HydrophobicContact CD1-CG2 3.82Å; L564-V706 HydrophobicContact CD2-CG1 4.14Å; L564-V706 HydrophobicContact CD2-CG2 4.11Å; L564-I780 HydrophobicContact CB-CD1 4.43Å; L564-I780 HydrophobicContact CB-CG2 4.31Å; L564-I780 HydrophobicContact CD1-CD1 3.68Å; L564-I780 HydrophobicContact CD1-CG1 4.35Å
565	K	94.3	Very high	93.2	Very high	63 Å²	63	45.5 Å²	45.5	27%	0.274	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-29.2	177.2	-75.2	-179.9	172.1	-177.3	0	112.6	R561 T562 S563 I586 N587	R561-K565 WeakPolarHBondContact O-CG 3.5Å; R561-K565 PolarHBondContact O-N 3.25Å; T562-K565 WeakPolarHBondContact O-CB 3.33Å; T562-K565 PolarHBondContact O-N 3.49Å; T562-K565 VanDerWaalsContact O-N 3.15Å; S563-K565 VanDerWaalsContact C-N 3.32Å; S563-K565 PolarHBondContact O-N 2.93Å; K565-I586 HydrophobicContact CG-CG2 4.11Å; K565-N587 VanDerWaalsContact CE-OD1 3.23Å; K565-N587 WeakPolarHBondContact CE-OD1 3.36Å; K565-N587 PolarHBondContact NZ-OD1 3.01Å
566	N	93.3	Very high	93.3	Very high	53 Å²	53	48.8 Å²	48.8	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-77.2	-42.7	176	-70.8	-23.8	0	0	0	111.5	T562 S563 L564 L568 K569	T562-N566 PolarHBondContact O-N 3.01Å; T562-N566 VanDerWaalsContact O-N 3.07Å; S563-N566 WeakPolarHBondContact O-CA 3.24Å; S563-N566 WeakPolarHBondContact O-CB 3.43Å; S563-N566 PolarHBondContact O-N 2.92Å; L564-N566 PolarHBondContact O-N 3.37Å; N566-L568 VanDerWaalsContact C-N 3.3Å; N566-L568 PolarHBondContact O-N 2.61Å; N566-K569 WeakPolarHBondContact O-CB 3.36Å; N566-K569 PolarHBondContact O-N 2.96Å; N566-K569 PolarHBondContact OD1-NZ 3.11Å
567	H	91	Very high	93.2	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.06	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-46.7	172	-76.9	78.2	0	0	0	111.2	S563 L564 K569 Q570 I571 D779 L878	S563-H567 PolarHBondContact O-N 3.44Å; S563-H567 PolarHBondContact O-ND1 3.46Å; S563-H567 PolarHBondContact OG-CE1 2.87Å; S563-H567 VanDerWaalsContact OG-CE1 3.26Å; S563-H567 PolarHBondContact OG-ND1 3.07Å; L564-H567 PolarHBondContact O-N 3.32Å; H567-K569 PolarHBondContact O-N 2.94Å; H567-Q570 PolarHBondContact O-N 3.14Å; H567-I571 PolarHBondContact O-N 2.92Å; H567-D779 IonicContact CD2-OD2 3.67Å; H567-D779 IonicContact NE2-OD2 3.69Å; H567-D779 PolarHBondContact NE2-OD2 3.43Å; H567-L878 PolarHBondContact CD2-O 3.14Å
568	L	91.3	Very high	93.2	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-53.9	-23.6	175.5	-79.6	-165.8	0	0	0	114.5	L564 N566 I571 M574 R579 V582 N583 I586	L564-L568 PolarHBondContact O-N 2.96Å; N566-L568 VanDerWaalsContact C-N 3.3Å; N566-L568 PolarHBondContact O-N 2.61Å; L568-I571 HydrophobicContact CD2-CD1 3.85Å; L568-M574 HydrophobicContact CD2-CE 4.39Å; L568-M574 HydrophobicContact CD2-SD 4.33Å; L568-R579 VanDerWaalsContact O-CD 3.27Å; L568-R579 WeakPolarHBondContact O-CD 3.35Å; L568-R579 WeakPolarHBondContact O-CG 3.25Å; L568-R579 PolarHBondContact O-NH1 3.09Å; L568-V582 HydrophobicContact CD1-CB 4.35Å; L568-V582 HydrophobicContact CD1-CG1 3.9Å; L568-V582 HydrophobicContact CD2-CG1 3.94Å; L568-N583 HydrophobicContact CD1-CB 4.25Å; L568-I586 HydrophobicContact CD1-CD1 3.26Å; L568-I586 HydrophobicContact CG-CD1 4.04Å
569	K	91.6	Very high	93.1	Very high	141 Å²	141	53 Å²	53	61%	0.613	25%	0.248	S	C	*	.	H	α-helix	trans	-82.3	-23.1	176.4	-62.6	167.7	-170.1	161.9	0	112.6	N566 H567 R579	N566-K569 WeakPolarHBondContact O-CB 3.36Å; N566-K569 PolarHBondContact O-N 2.96Å; N566-K569 PolarHBondContact OD1-NZ 3.11Å; H567-K569 PolarHBondContact O-N 2.94Å; K569-R579 VanDerWaalsContact CA-NH1 3.31Å; K569-R579 PolarHBondContact O-NH1 2.99Å
570	Q	88.7	Confident	93.1	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	27%	0.273	S	S	*	.	H	α-helix	trans	-93.6	-23	-174.5	-60.7	-177.1	5.3	0	0	112.8	H567 Q572	H567-Q570 PolarHBondContact O-N 3.14Å; Q570-Q572 PolarHBondContact O-N 3.04Å; Q570-Q572 PolarHBondContact O-NE2 3.1Å
571	I	89.4	Confident	92.8	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.041	29%	0.286	C	S	.	.			trans	-56.6	125.2	177.3	-60.8	169.9	0	0	0	111.2	H567 L568 W573 M574 R579 L878	H567-I571 PolarHBondContact O-N 2.92Å; L568-I571 HydrophobicContact CD2-CD1 3.85Å; I571-W573 HydrophobicContact CD1-CZ2 4.43Å; I571-W573 HydrophobicContact CG2-CD2 3.58Å; I571-W573 VanDerWaalsContact CG2-CE2 3.41Å; I571-W573 HydrophobicContact CG2-CE3 4.25Å; I571-W573 HydrophobicContact CG2-CG 3.79Å; I571-W573 HydrophobicContact CG2-CZ2 3.93Å; I571-M574 HydrophobicContact CB-CB 4.39Å; I571-M574 HydrophobicContact CD1-CE 4.14Å; I571-M574 HydrophobicContact CG2-CB 3.63Å; I571-R579 PolarHBondContact O-NH1 2.84Å; I571-R579 PolarHBondContact O-NH2 3.39Å; I571-L878 HydrophobicContact CD1-CB 4.21Å; I571-L878 HydrophobicContact CD1-CD2 3.64Å; I571-L878 WeakPolarHBondContact CD1-OXT 3.26Å; I571-L878 WeakPolarHBondContact CG1-OXT 3.48Å
572	Q	88.9	Confident	92.7	Very high	156 Å²	156	58 Å²	58	73%	0.729	27%	0.274	S	S	*	.	S	Bend	trans	-94.3	-27.2	-179.2	-60.6	-59.6	-53.8	0	0	113.4	Q570 M574	Q570-Q572 PolarHBondContact O-N 3.04Å; Q570-Q572 PolarHBondContact O-NE2 3.1Å; Q572-M574 VanDerWaalsContact C-N 3.29Å; Q572-M574 PolarHBondContact O-N 2.75Å
573	W	90.7	Very high	92.6	Very high	14 Å²	14	57.4 Å²	57.4	5%	0.053	27%	0.269	C	S	.	.	S	Bend	trans	-79.3	-9.9	-178.2	56.1	-105.8	0	0	0	113.7	I571 W723 T727 K730 Y731 E734 R875 L878	I571-W573 HydrophobicContact CD1-CZ2 4.43Å; I571-W573 HydrophobicContact CG2-CD2 3.58Å; I571-W573 VanDerWaalsContact CG2-CE2 3.41Å; I571-W573 HydrophobicContact CG2-CE3 4.25Å; I571-W573 HydrophobicContact CG2-CG 3.79Å; I571-W573 HydrophobicContact CG2-CZ2 3.93Å; W573-W723 AromaticContact CH2-CH2 3.9Å; W573-W723 HydrophobicContact CH2-CH2 3.9Å; W573-W723 HydrophobicContact CH2-CZ2 4.17Å; W573-W723 HydrophobicContact CH2-CZ3 4.5Å; W573-W723 HydrophobicContact CZ3-CH2 4.02Å; W573-W723 HydrophobicContact CZ3-CZ2 4.35Å; W573-W723 HydrophobicContact CZ3-CZ3 4.2Å; W573-T727 HydrophobicContact CE3-CG2 3.9Å; W573-T727 HydrophobicContact CZ3-CG2 3.73Å; W573-K730 HydrophobicContact CB-CB 3.86Å; W573-K730 WeakPolarHBondContact O-CB 3.35Å; W573-K730 WeakPolarHBondContact O-CD 3.29Å; W573-Y731 HydrophobicContact CD2-CD2 4.32Å; W573-Y731 HydrophobicContact CE3-CD2 4.13Å; W573-Y731 HydrophobicContact CE3-CG 4.49Å; W573-Y731 AromaticContact CH2-CD2 3.67Å; W573-Y731 HydrophobicContact CH2-CD2 3.67Å; W573-Y731 HydrophobicContact CH2-CE2 4.25Å; W573-Y731 AromaticContact CZ2-CD2 3.84Å; W573-Y731 HydrophobicContact CZ2-CD2 3.84Å; W573-Y731 HydrophobicContact CZ2-CE2 4.28Å; W573-Y731 AromaticContact CZ3-CD2 3.82Å; W573-Y731 HydrophobicContact CZ3-CD2 3.82Å; W573-Y731 HydrophobicContact CZ3-CG 4.26Å; W573-E734 HydrophobicContact CB-CG 4.45Å; W573-E734 HydrophobicContact CG-CG 4.47Å; W573-R875 PolarHBondContact NE1-O 3.2Å; W573-L878 HydrophobicContact CH2-CD2 3.88Å; W573-L878 HydrophobicContact CZ2-CD2 3.77Å
574	M	93.3	Very high	92.4	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.015	29%	0.289	C	S	.	.	S	Bend	trans	-103.7	124.4	-178.4	-172.8	-179	-63.4	0	0	111.4	L568 I571 Q572 T578 R579 V582 T727 L878	L568-M574 HydrophobicContact CD2-CE 4.39Å; L568-M574 HydrophobicContact CD2-SD 4.33Å; I571-M574 HydrophobicContact CB-CB 4.39Å; I571-M574 HydrophobicContact CD1-CE 4.14Å; I571-M574 HydrophobicContact CG2-CB 3.63Å; Q572-M574 VanDerWaalsContact C-N 3.29Å; Q572-M574 PolarHBondContact O-N 2.75Å; M574-T578 HydrophobicContact CG-CG2 3.78Å; M574-T578 HydrophobicContact SD-CG2 4.02Å; M574-R579 HydrophobicContact CG-CB 4.36Å; M574-R579 PolarHBondContact O-NH2 3.47Å; M574-R579 HydrophobicContact SD-CB 4.09Å; M574-V582 HydrophobicContact CE-CG2 4.41Å; M574-V582 HydrophobicContact SD-CG2 4.28Å; M574-T727 HydrophobicContact CB-CG2 4.33Å; M574-T727 HydrophobicContact CG-CG2 4.13Å; M574-L878 HydrophobicContact CE-CD2 4.35Å
575	D	94.3	Very high	92.3	Very high	28 Å²	28	62.5 Å²	62.5	15%	0.15	29%	0.292	C	S	.	.			trans	-70.9	162.9	175.7	69.1	67.4	0	0	0	112.8	K577 T578 R579 T724 T727	D575-K577 VanDerWaalsContact C-N 3.29Å; D575-K577 PolarHBondContact O-N 2.85Å; D575-K577 WeakPolarHBondContact OD1-CA 3.41Å; D575-K577 WeakPolarHBondContact OD1-CB 3.5Å; D575-K577 PolarHBondContact OD1-N 3.16Å; D575-T578 PolarHBondContact O-N 3.38Å; D575-T578 PolarHBondContact OD1-N 3.49Å; D575-T578 PolarHBondContact OD1-OG1 3.27Å; D575-T578 PolarHBondContact OD2-OG1 3.11Å; D575-R579 VanDerWaalsContact O-CB 3.32Å; D575-R579 WeakPolarHBondContact O-CB 3.44Å; D575-R579 PolarHBondContact O-N 3.22Å; D575-T724 WeakPolarHBondContact OD2-CB 3.46Å; D575-T724 VanDerWaalsContact OD2-CG2 3.31Å; D575-T724 WeakPolarHBondContact OD2-CG2 3.46Å; D575-T724 PolarHBondContact OD2-OG1 3.39Å; D575-T727 PolarHBondContact N-OG1 3.48Å; D575-T727 PolarHBondContact OD2-OG1 3.06Å
576	D	94.2	Very high	92.2	Very high	130 Å²	130	59.5 Å²	59.5	70%	0.695	28%	0.279	S	S	*	.	H	α-helix	trans	-63.6	-30.9	-175.9	-70.4	-24.9	0	0	0	114	R579 K580	D576-R579 IonicContact OD1-NE 3.32Å; D576-K580 WeakPolarHBondContact O-CB 3.2Å; D576-K580 PolarHBondContact O-N 3.38Å
577	K	94.3	Very high	92.2	Very high	137 Å²	137	61.2 Å²	61.2	60%	0.596	29%	0.288	S	S	*	.	H	α-helix	trans	-69.2	-51.2	178.2	179.2	-174.7	174	-171.8	0	109.8	D575 R579 K580 D581 T724	D575-K577 VanDerWaalsContact C-N 3.29Å; D575-K577 PolarHBondContact O-N 2.85Å; D575-K577 WeakPolarHBondContact OD1-CA 3.41Å; D575-K577 WeakPolarHBondContact OD1-CB 3.5Å; D575-K577 PolarHBondContact OD1-N 3.16Å; K577-R579 VanDerWaalsContact C-N 3.29Å; K577-R579 PolarHBondContact O-N 2.52Å; K577-K580 WeakPolarHBondContact O-CB 3.39Å; K577-K580 PolarHBondContact O-N 3.49Å; K577-K580 VanDerWaalsContact O-N 3.17Å; K577-D581 PolarHBondContact O-N 3.19Å; K577-T724 HydrophobicContact CB-CG2 4.5Å; K577-T724 HydrophobicContact CD-CG2 4.05Å
578	T	93.9	Very high	92.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.2	-43.9	176.9	-56	0	0	0	0	110.3	M574 D575 K580 D581 V582 W723 T724 T727	M574-T578 HydrophobicContact CG-CG2 3.78Å; M574-T578 HydrophobicContact SD-CG2 4.02Å; D575-T578 PolarHBondContact O-N 3.38Å; D575-T578 PolarHBondContact OD1-N 3.49Å; D575-T578 PolarHBondContact OD1-OG1 3.27Å; D575-T578 PolarHBondContact OD2-OG1 3.11Å; T578-K580 VanDerWaalsContact C-N 3.3Å; T578-K580 PolarHBondContact O-N 3.08Å; T578-D581 PolarHBondContact O-N 2.84Å; T578-D581 VanDerWaalsContact O-N 3.16Å; T578-V582 HydrophobicContact CG2-CG2 4.13Å; T578-V582 VanDerWaalsContact O-CG2 3.29Å; T578-V582 WeakPolarHBondContact O-CG2 3.34Å; T578-V582 PolarHBondContact O-N 2.83Å; T578-W723 HydrophobicContact CG2-CB 4.05Å; T578-W723 HydrophobicContact CG2-CG 3.74Å; T578-T724 PolarHBondContact OG1-N 3.06Å; T578-T727 HydrophobicContact CG2-CG2 4.02Å; T578-T727 PolarHBondContact OG1-OG1 3.06Å
579	R	94.3	Very high	92.2	Very high	48 Å²	48	66.1 Å²	66.1	18%	0.181	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-41.7	176.7	-167.8	-174.2	-49.8	-112	-3.4	112.5	L568 K569 I571 M574 D575 D576 K577 N583	L568-R579 VanDerWaalsContact O-CD 3.27Å; L568-R579 WeakPolarHBondContact O-CD 3.35Å; L568-R579 WeakPolarHBondContact O-CG 3.25Å; L568-R579 PolarHBondContact O-NH1 3.09Å; K569-R579 VanDerWaalsContact CA-NH1 3.31Å; K569-R579 PolarHBondContact O-NH1 2.99Å; I571-R579 PolarHBondContact O-NH1 2.84Å; I571-R579 PolarHBondContact O-NH2 3.39Å; M574-R579 HydrophobicContact CG-CB 4.36Å; M574-R579 PolarHBondContact O-NH2 3.47Å; M574-R579 HydrophobicContact SD-CB 4.09Å; D575-R579 VanDerWaalsContact O-CB 3.32Å; D575-R579 WeakPolarHBondContact O-CB 3.44Å; D575-R579 PolarHBondContact O-N 3.22Å; D576-R579 IonicContact OD1-NE 3.32Å; K577-R579 VanDerWaalsContact C-N 3.29Å; K577-R579 PolarHBondContact O-N 2.52Å; R579-N583 VanDerWaalsContact O-CB 3.3Å; R579-N583 WeakPolarHBondContact O-CB 3.32Å; R579-N583 PolarHBondContact O-N 3.49Å
580	K	94.1	Very high	92.2	Very high	151 Å²	151	63.2 Å²	63.2	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-64	-46.3	175.9	-175.8	-177.3	176.4	-176.1	0	111.7	D576 K577 T578 N583 E584	D576-K580 WeakPolarHBondContact O-CB 3.2Å; D576-K580 PolarHBondContact O-N 3.38Å; K577-K580 WeakPolarHBondContact O-CB 3.39Å; K577-K580 PolarHBondContact O-N 3.49Å; K577-K580 VanDerWaalsContact O-N 3.17Å; T578-K580 VanDerWaalsContact C-N 3.3Å; T578-K580 PolarHBondContact O-N 3.08Å; K580-N583 PolarHBondContact O-N 2.9Å; K580-E584 PolarHBondContact O-N 2.95Å
581	D	91.9	Very high	92.3	Very high	50 Å²	50	57.3 Å²	57.3	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-39.3	-177.9	-63.6	-20.6	0	0	0	111.4	K577 T578 E584 R585 I722	K577-D581 PolarHBondContact O-N 3.19Å; T578-D581 PolarHBondContact O-N 2.84Å; T578-D581 VanDerWaalsContact O-N 3.16Å; D581-E584 WeakPolarHBondContact O-CB 3.44Å; D581-E584 PolarHBondContact O-N 3.16Å; D581-R585 PolarHBondContact O-N 3.1Å; D581-R585 VanDerWaalsContact O-N 3.08Å; D581-I722 HydrophobicContact CB-CG2 3.62Å
582	V	92.5	Very high	92.4	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-41.6	173	179.9	0	0	0	0	110.8	L568 M574 T578 E584 R585 I586 V706 I722	L568-V582 HydrophobicContact CD1-CB 4.35Å; L568-V582 HydrophobicContact CD1-CG1 3.9Å; L568-V582 HydrophobicContact CD2-CG1 3.94Å; M574-V582 HydrophobicContact CE-CG2 4.41Å; M574-V582 HydrophobicContact SD-CG2 4.28Å; T578-V582 HydrophobicContact CG2-CG2 4.13Å; T578-V582 VanDerWaalsContact O-CG2 3.29Å; T578-V582 WeakPolarHBondContact O-CG2 3.34Å; T578-V582 PolarHBondContact O-N 2.83Å; V582-E584 VanDerWaalsContact C-N 3.3Å; V582-E584 PolarHBondContact O-N 3.38Å; V582-R585 WeakPolarHBondContact O-CB 3.4Å; V582-R585 PolarHBondContact O-N 2.94Å; V582-R585 VanDerWaalsContact O-N 3.11Å; V582-I586 HydrophobicContact CG1-CD1 4.39Å; V582-I586 WeakPolarHBondContact O-CG1 3.45Å; V582-I586 PolarHBondContact O-N 3.5Å; V582-V706 HydrophobicContact CG1-CB 3.72Å; V582-V706 HydrophobicContact CG1-CG1 3.81Å; V582-I722 HydrophobicContact CG2-CG2 4.36Å
583	N	93.3	Very high	92.4	Very high	59 Å²	59	51.3 Å²	51.3	32%	0.316	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-34.5	175.3	-176.5	61.1	0	0	0	112.6	L568 R579 K580 R585 I586 N587	L568-N583 HydrophobicContact CD1-CB 4.25Å; R579-N583 VanDerWaalsContact O-CB 3.3Å; R579-N583 WeakPolarHBondContact O-CB 3.32Å; R579-N583 PolarHBondContact O-N 3.49Å; K580-N583 PolarHBondContact O-N 2.9Å; N583-R585 VanDerWaalsContact C-N 3.35Å; N583-I586 PolarHBondContact O-N 2.79Å; N583-N587 VanDerWaalsContact O-CG 3.27Å; N583-N587 PolarHBondContact O-N 2.96Å; N583-N587 VanDerWaalsContact O-N 3.14Å; N583-N587 PolarHBondContact O-ND2 2.73Å; N583-N587 VanDerWaalsContact O-ND2 3.08Å
584	E	91.7	Very high	92.1	Very high	92 Å²	92	54.6 Å²	54.6	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-42.3	171.4	-168.8	-176.2	151.4	0	0	111.5	K580 D581 V582 N587 K588	K580-E584 PolarHBondContact O-N 2.95Å; D581-E584 WeakPolarHBondContact O-CB 3.44Å; D581-E584 PolarHBondContact O-N 3.16Å; V582-E584 VanDerWaalsContact C-N 3.3Å; V582-E584 PolarHBondContact O-N 3.38Å; E584-N587 WeakPolarHBondContact O-CB 3.48Å; E584-N587 PolarHBondContact O-N 3.47Å; E584-K588 HydrophobicContact CG-CD 4.48Å; E584-K588 PolarHBondContact O-N 3.27Å; E584-K588 VanDerWaalsContact O-N 3.14Å; E584-K588 WeakPolarHBondContact OE1-CE 3.36Å; E584-K588 IonicContact OE1-NZ 3.9Å; E584-K588 PolarHBondContact OE1-NZ 3.49Å
585	R	90.4	Very high	91.5	Very high	15 Å²	15	54.5 Å²	54.5	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.2	-166.7	174	-168.1	151.7	2.5	112.1	D581 V582 N583 N587 K588 M589 L664 D667 G710 F712	D581-R585 PolarHBondContact O-N 3.1Å; D581-R585 VanDerWaalsContact O-N 3.08Å; V582-R585 WeakPolarHBondContact O-CB 3.4Å; V582-R585 PolarHBondContact O-N 2.94Å; V582-R585 VanDerWaalsContact O-N 3.11Å; N583-R585 VanDerWaalsContact C-N 3.35Å; R585-N587 VanDerWaalsContact C-N 3.26Å; R585-N587 PolarHBondContact O-N 3.28Å; R585-K588 PolarHBondContact O-N 2.83Å; R585-K588 VanDerWaalsContact O-N 3.09Å; R585-M589 PolarHBondContact O-N 3.07Å; R585-L664 PolarHBondContact NH2-O 3.38Å; R585-D667 IonicContact CZ-OD1 3.92Å; R585-D667 IonicContact NE-OD1 3.79Å; R585-D667 PolarHBondContact NE-OD1 3.02Å; R585-D667 IonicContact NE-OD2 3.68Å; R585-D667 IonicContact NH2-OD1 3.39Å; R585-D667 PolarHBondContact NH2-OD1 3.31Å; R585-G710 PolarHBondContact NH1-O 2.63Å; R585-F712 PolarHBondContact NH1-O 3.01Å
586	I	93.3	Very high	90.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-38.3	175.7	-66.2	168.4	0	0	0	111.8	R561 L564 K565 L568 V582 N583 K588 V706	R561-I586 HydrophobicContact CG-CG2 3.8Å; L564-I586 HydrophobicContact CD1-CD1 4.45Å; L564-I586 HydrophobicContact CD2-CD1 3.31Å; L564-I586 HydrophobicContact CD2-CG1 3.53Å; L564-I586 HydrophobicContact CD2-CG2 4.25Å; L564-I586 HydrophobicContact CG-CD1 3.59Å; L564-I586 HydrophobicContact CG-CG1 4.35Å; K565-I586 HydrophobicContact CG-CG2 4.11Å; L568-I586 HydrophobicContact CD1-CD1 3.26Å; L568-I586 HydrophobicContact CG-CD1 4.04Å; V582-I586 HydrophobicContact CG1-CD1 4.39Å; V582-I586 WeakPolarHBondContact O-CG1 3.45Å; V582-I586 PolarHBondContact O-N 3.5Å; N583-I586 PolarHBondContact O-N 2.79Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-V706 HydrophobicContact CD1-CG1 4.25Å; I586-V706 HydrophobicContact CG1-CG1 3.72Å
587	N	93.1	Very high	90.2	Very high	90 Å²	90	52.7 Å²	52.7	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-31	178	-67.1	-34.9	0	0	0	112.5	K565 N583 E584 R585	K565-N587 VanDerWaalsContact CE-OD1 3.23Å; K565-N587 WeakPolarHBondContact CE-OD1 3.36Å; K565-N587 PolarHBondContact NZ-OD1 3.01Å; N583-N587 VanDerWaalsContact O-CG 3.27Å; N583-N587 PolarHBondContact O-N 2.96Å; N583-N587 VanDerWaalsContact O-N 3.14Å; N583-N587 PolarHBondContact O-ND2 2.73Å; N583-N587 VanDerWaalsContact O-ND2 3.08Å; E584-N587 WeakPolarHBondContact O-CB 3.48Å; E584-N587 PolarHBondContact O-N 3.47Å; R585-N587 VanDerWaalsContact C-N 3.26Å; R585-N587 PolarHBondContact O-N 3.28Å
588	K	89.9	Confident	89.6	Confident	117 Å²	117	47.3 Å²	47.3	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-81.9	-25.7	177.7	-73.2	172.2	172	169.7	0	113.3	E584 R585 I586 K590	E584-K588 HydrophobicContact CG-CD 4.48Å; E584-K588 PolarHBondContact O-N 3.27Å; E584-K588 VanDerWaalsContact O-N 3.14Å; E584-K588 WeakPolarHBondContact OE1-CE 3.36Å; E584-K588 IonicContact OE1-NZ 3.9Å; E584-K588 PolarHBondContact OE1-NZ 3.49Å; R585-K588 PolarHBondContact O-N 2.83Å; R585-K588 VanDerWaalsContact O-N 3.09Å; I586-K588 VanDerWaalsContact C-N 3.32Å; K588-K590 PolarHBondContact O-N 2.8Å
589	M	91.7	Very high	89.3	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.015	22%	0.222	C	C	.	.			trans	-55.5	127.2	-178	175.5	-173.8	61	0	0	111.8	R561 R585 I591 D667 V669 I702 L705	R561-M589 PolarHBondContact NH2-O 3.48Å; R585-M589 PolarHBondContact O-N 3.07Å; M589-I591 HydrophobicContact CE-CD1 3.88Å; M589-I591 HydrophobicContact CE-CG1 4.12Å; M589-I591 HydrophobicContact CG-CG1 4.43Å; M589-I591 HydrophobicContact SD-CG1 4.31Å; M589-D667 CarbonylContact C-O 3.58Å; M589-D667 WeakPolarHBondContact CA-O 3.46Å; M589-D667 HydrophobicContact CB-CB 4.46Å; M589-D667 WeakPolarHBondContact CG-O 3.33Å; M589-V669 HydrophobicContact SD-CG2 4.16Å; M589-I702 HydrophobicContact CE-CD1 4.09Å; M589-I702 HydrophobicContact CE-CG1 4.16Å; M589-I702 HydrophobicContact CE-CG2 4.37Å; M589-I702 HydrophobicContact SD-CD1 4.4Å; M589-I702 HydrophobicContact SD-CG1 3.84Å; M589-I702 HydrophobicContact SD-CG2 4.35Å; M589-L705 HydrophobicContact CB-CD2 3.91Å; M589-L705 HydrophobicContact CG-CD2 3.49Å; M589-L705 VanDerWaalsContact CG-CD2 3.49Å; M589-L705 HydrophobicContact SD-CD2 3.39Å; M589-L705 WeakPolarHBondContact SD-CD2 3.42Å
590	K	91.5	Very high	88.9	Confident	79 Å²	79	50.3 Å²	50.3	34%	0.343	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132	172.3	-63.2	-177.6	-179.8	-177.7	0	109.3	K588 L592 E645 D667 E668 V669	K588-K590 PolarHBondContact O-N 2.8Å; K590-L592 HydrophobicContact CB-CG 4.41Å; K590-E645 IonicContact NZ-OE1 3.47Å; K590-E645 IonicContact NZ-OE2 2.79Å; K590-E645 PolarHBondContact NZ-OE2 2.78Å; K590-D667 PolarHBondContact N-O 2.95Å; K590-E668 HydrophobicContact CB-CG 4.14Å; K590-E668 CarbonylContact O-C 3.6Å; K590-E668 WeakPolarHBondContact O-CA 3.25Å; K590-V669 PolarHBondContact O-N 3.27Å
591	I	92.5	Very high	88.6	Confident	19 Å²	19	45.3 Å²	45.3	10%	0.097	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.1	170.5	-55.7	171	0	0	0	107.1	T557 M589 F593 V669 I671 I702	T557-I591 HydrophobicContact CG2-CB 4.43Å; T557-I591 HydrophobicContact CG2-CD1 4.18Å; T557-I591 HydrophobicContact CG2-CG2 3.64Å; M589-I591 HydrophobicContact CE-CD1 3.88Å; M589-I591 HydrophobicContact CE-CG1 4.12Å; M589-I591 HydrophobicContact CG-CG1 4.43Å; M589-I591 HydrophobicContact SD-CG1 4.31Å; I591-F593 HydrophobicContact CG2-CD1 4.45Å; I591-V669 CarbonylContact C-O 3.37Å; I591-V669 WeakPolarHBondContact CA-O 3.39Å; I591-V669 HydrophobicContact CG1-CB 4.32Å; I591-V669 HydrophobicContact CG2-CB 4.45Å; I591-I671 HydrophobicContact CG2-CD1 3.49Å; I591-I671 VanDerWaalsContact CG2-CD1 3.49Å; I591-I671 HydrophobicContact CG2-CG1 4.25Å; I591-I702 HydrophobicContact CD1-CD1 3.82Å
592	L	90.2	Very high	88.6	Confident	25 Å²	25	46.2 Å²	46.2	13%	0.131	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.1	-168.6	-62.8	169.4	0	0	0	109.3	K590 E668 V669 F670 I671	K590-L592 HydrophobicContact CB-CG 4.41Å; L592-E668 HydrophobicContact CD1-CB 4.28Å; L592-E668 HydrophobicContact CD1-CG 4.14Å; L592-V669 PolarHBondContact N-O 3.22Å; L592-F670 HydrophobicContact CB-CD1 3.93Å; L592-F670 HydrophobicContact CB-CE1 4.18Å; L592-F670 HydrophobicContact CD1-CD1 3.92Å; L592-F670 HydrophobicContact CD1-CE1 3.3Å; L592-F670 HydrophobicContact CD1-CE2 4.43Å; L592-F670 HydrophobicContact CD1-CZ 3.57Å; L592-F670 HydrophobicContact CG-CE1 4.37Å; L592-F670 CarbonylContact O-C 3.08Å; L592-F670 WeakPolarHBondContact O-CA 3.3Å; L592-I671 PolarHBondContact O-N 3.31Å
593	F	88.6	Confident	88.5	Confident	13 Å²	13	54.6 Å²	54.6	6%	0.057	25%	0.254	C	S	.	.			trans	-130	-9.3	177.9	57.6	-90.7	0	0	0	112.2	E550 V553 E554 I591 I671	E550-F593 WeakPolarHBondContact O-CE2 3.47Å; V553-F593 HydrophobicContact CB-CD2 4.38Å; V553-F593 HydrophobicContact CG1-CB 3.88Å; V553-F593 HydrophobicContact CG1-CD1 4.08Å; V553-F593 HydrophobicContact CG1-CD2 4.07Å; V553-F593 HydrophobicContact CG1-CG 3.73Å; E554-F593 HydrophobicContact CB-CE1 4.34Å; E554-F593 HydrophobicContact CB-CE2 3.94Å; E554-F593 HydrophobicContact CB-CZ 3.47Å; E554-F593 VanDerWaalsContact CB-CZ 3.47Å; E554-F593 HydrophobicContact CG-CE1 4.5Å; E554-F593 HydrophobicContact CG-CZ 3.76Å; I591-F593 HydrophobicContact CG2-CD1 4.45Å; F593-I671 HydrophobicContact CB-CB 4.01Å; F593-I671 HydrophobicContact CB-CD1 4.44Å
594	K	84.7	Confident	88.3	Confident	83 Å²	83	54.2 Å²	54.2	36%	0.361	25%	0.249	S	C	.	.	S	Bend	trans	-80.8	134.8	177.6	-64.1	-175.6	-179.9	178.8	0	109.7	E554 W648	E554-K594 IonicContact OE2-NZ 3.93Å; E554-K594 PolarHBondContact OE2-NZ 3.44Å; K594-W648 WeakPolarHBondContact O-CZ2 3.46Å; K594-W648 PolarHBondContact O-NE1 3.42Å; K594-W648 VanDerWaalsContact O-NE1 3.13Å
595	V	80.6	Confident	88.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-74.6	143.4	175.2	178.3	0	0	0	0	109.8	T541 M545 M599 R600 V655 P673	T541-V595 HydrophobicContact CG2-CB 4.37Å; T541-V595 HydrophobicContact CG2-CG1 4.12Å; T541-V595 HydrophobicContact CG2-CG2 4.14Å; M545-V595 HydrophobicContact CG-CG2 4.37Å; V595-M599 HydrophobicContact CG1-CB 3.6Å; V595-M599 HydrophobicContact CG1-CG 4.09Å; V595-M599 HydrophobicContact CG1-SD 3.48Å; V595-M599 WeakPolarHBondContact CG1-SD 3.43Å; V595-R600 PolarHBondContact O-NH1 3.13Å; V595-V655 HydrophobicContact CG1-CG1 4.16Å; V595-V655 HydrophobicContact CG2-CG1 4.29Å; V595-P673 HydrophobicContact CG2-CG 3.46Å; V595-P673 VanDerWaalsContact CG2-CG 3.46Å
596	P	79.7	Confident	88.3	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.058	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-51.5	138.3	171.6	-26.1	31.6	0	0	0	113.3	I598 M599 E646	P596-I598 HydrophobicContact CB-CG2 4.06Å; P596-I598 PolarHBondContact O-N 3.26Å; P596-I598 VanDerWaalsContact O-N 3.14Å; P596-M599 HydrophobicContact CB-CG 4.48Å; P596-M599 HydrophobicContact CG-CE 3.95Å; P596-M599 HydrophobicContact CG-SD 4.24Å; P596-M599 PolarHBondContact O-N 3.19Å; P596-E646 WeakPolarHBondContact CG-O 3.18Å
597	E	81.6	Confident	88.2	Confident	111 Å²	111	58 Å²	58	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-35	-176.7	-162.3	-154.3	144.3	0	0	113.4	M599 R600 N601 K604	E597-M599 PolarHBondContact O-N 3Å; E597-R600 PolarHBondContact O-N 3.39Å; E597-N601 PolarHBondContact O-N 2.73Å; E597-N601 VanDerWaalsContact O-N 3.17Å; E597-K604 IonicContact OE1-NZ 2.8Å; E597-K604 PolarHBondContact OE1-NZ 3.36Å; E597-K604 IonicContact OE2-NZ 3.27Å; E597-K604 PolarHBondContact OE2-NZ 3.1Å
598	I	82.6	Confident	87.8	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.128	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-34.2	177.6	-166.1	-157.4	0	0	0	112.3	V25 T534 P596 R600 N601 K604 L605 A608	V25-I598 HydrophobicContact CB-CB 4.39Å; V25-I598 HydrophobicContact CB-CD1 3.97Å; V25-I598 HydrophobicContact CB-CG1 4.06Å; V25-I598 HydrophobicContact CG1-CG1 4.34Å; V25-I598 HydrophobicContact CG2-CD1 3.21Å; V25-I598 HydrophobicContact CG2-CG1 3.77Å; T534-I598 HydrophobicContact CG2-CD1 3.81Å; T534-I598 HydrophobicContact CG2-CG2 3.71Å; P596-I598 HydrophobicContact CB-CG2 4.06Å; P596-I598 PolarHBondContact O-N 3.26Å; P596-I598 VanDerWaalsContact O-N 3.14Å; I598-R600 VanDerWaalsContact C-N 3.3Å; I598-R600 PolarHBondContact O-N 2.93Å; I598-N601 PolarHBondContact O-N 2.94Å; I598-K604 HydrophobicContact CG1-CB 4.18Å; I598-L605 HydrophobicContact CD1-CD1 3.95Å; I598-L605 HydrophobicContact CG1-CD1 4.15Å; I598-A608 HydrophobicContact CD1-CB 4.1Å
599	M	87.1	Confident	87.8	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-77.2	-18.1	-179.1	-61	178.9	-173.9	0	0	112.5	T534 A538 V595 P596 E597 V655	T534-M599 HydrophobicContact CG2-CE 4.12Å; T534-M599 HydrophobicContact CG2-CG 3.99Å; A538-M599 WeakPolarHBondContact CA-O 3.5Å; A538-M599 HydrophobicContact CB-CB 4.08Å; A538-M599 WeakPolarHBondContact CB-O 3.31Å; V595-M599 HydrophobicContact CG1-CB 3.6Å; V595-M599 HydrophobicContact CG1-CG 4.09Å; V595-M599 HydrophobicContact CG1-SD 3.48Å; V595-M599 WeakPolarHBondContact CG1-SD 3.43Å; P596-M599 HydrophobicContact CB-CG 4.48Å; P596-M599 HydrophobicContact CG-CE 3.95Å; P596-M599 HydrophobicContact CG-SD 4.24Å; P596-M599 PolarHBondContact O-N 3.19Å; E597-M599 PolarHBondContact O-N 3Å; M599-V655 HydrophobicContact CE-CG1 4.06Å; M599-V655 HydrophobicContact SD-CG1 3.67Å; M599-V655 HydrophobicContact SD-CG2 4.24Å
600	R	85.5	Confident	87.8	Confident	103 Å²	103	56.5 Å²	56.5	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-96.3	-5.9	174.2	-61.6	-162.8	-172.4	89.7	-4	113.2	T541 E550 V595 E597 I598	T541-R600 HydrophobicContact CG2-CG 4.2Å; E550-R600 IonicContact OE1-CZ 3.78Å; E550-R600 IonicContact OE1-NE 3.23Å; E550-R600 IonicContact OE1-NH2 2.7Å; E550-R600 PolarHBondContact OE1-NH2 3.47Å; E550-R600 IonicContact OE2-CZ 2.78Å; E550-R600 IonicContact OE2-NH2 3.13Å; E550-R600 PolarHBondContact OE2-NH2 3Å; E550-R600 VanDerWaalsContact OE2-NH2 3.08Å; V595-R600 PolarHBondContact O-NH1 3.13Å; E597-R600 PolarHBondContact O-N 3.39Å; I598-R600 VanDerWaalsContact C-N 3.3Å; I598-R600 PolarHBondContact O-N 2.93Å
601	N	88.2	Confident	87.7	Confident	47 Å²	47	56 Å²	56	25%	0.251	26%	0.256	S	S	.	.			trans	-124.2	96.8	-173.7	-173.6	-29.5	0	0	0	111.5	E597 I598 K603 K604 L605	E597-N601 PolarHBondContact O-N 2.73Å; E597-N601 VanDerWaalsContact O-N 3.17Å; I598-N601 PolarHBondContact O-N 2.94Å; N601-K603 PolarHBondContact O-N 3.17Å; N601-K603 VanDerWaalsContact O-N 3.14Å; N601-K603 WeakPolarHBondContact OD1-CB 3.36Å; N601-K603 PolarHBondContact OD1-N 3.14Å; N601-K604 HydrophobicContact CB-CB 4.12Å; N601-K604 HydrophobicContact CB-CD 4.29Å; N601-K604 HydrophobicContact CB-CG 4.32Å; N601-K604 PolarHBondContact O-N 2.96Å; N601-K604 VanDerWaalsContact O-N 3.1Å; N601-K604 PolarHBondContact OD1-N 3.35Å; N601-K604 VanDerWaalsContact OD1-N 3.16Å; N601-L605 PolarHBondContact O-N 3.47Å
602	D	91.4	Very high	87.7	Confident	69 Å²	69	55.1 Å²	55.1	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-57.8	-29.6	-179.3	-78.2	-2	0	0	0	113.4	K234 N606	K234-D602 VanDerWaalsContact CE-OD1 3.24Å; K234-D602 WeakPolarHBondContact CE-OD1 3.27Å; K234-D602 IonicContact NZ-OD1 3.18Å; K234-D602 PolarHBondContact NZ-OD1 3.43Å; K234-D602 IonicContact NZ-OD2 3.8Å; K234-D602 PolarHBondContact NZ-OD2 3.44Å; D602-N606 WeakPolarHBondContact O-CB 3.41Å; D602-N606 PolarHBondContact O-N 2.95Å; D602-N606 PolarHBondContact O-ND2 2.87Å; D602-N606 VanDerWaalsContact O-ND2 3.1Å
603	K	91.6	Very high	88	Confident	179 Å²	179	61.7 Å²	61.7	78%	0.778	28%	0.279	S	S	*	.	H	α-helix	trans	-68	-47.3	176.7	-64.3	-179.1	179.9	176.5	0	111	N601 L605 N606 Y607	N601-K603 PolarHBondContact O-N 3.17Å; N601-K603 VanDerWaalsContact O-N 3.14Å; N601-K603 WeakPolarHBondContact OD1-CB 3.36Å; N601-K603 PolarHBondContact OD1-N 3.14Å; K603-L605 VanDerWaalsContact C-N 3.34Å; K603-N606 PolarHBondContact O-N 3.27Å; K603-Y607 WeakPolarHBondContact O-CB 3.36Å; K603-Y607 PolarHBondContact O-N 3.34Å
604	K	89.1	Confident	88.2	Confident	51 Å²	51	62.6 Å²	62.6	22%	0.222	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-43.6	175.8	-77.8	-175	173.7	-179.9	0	110.7	V25 E597 I598 N601 Y607 A608	V25-K604 HydrophobicContact CG1-CB 4.16Å; V25-K604 HydrophobicContact CG1-CD 4.31Å; V25-K604 HydrophobicContact CG1-CG 4.32Å; E597-K604 IonicContact OE1-NZ 2.8Å; E597-K604 PolarHBondContact OE1-NZ 3.36Å; E597-K604 IonicContact OE2-NZ 3.27Å; E597-K604 PolarHBondContact OE2-NZ 3.1Å; I598-K604 HydrophobicContact CG1-CB 4.18Å; N601-K604 HydrophobicContact CB-CB 4.12Å; N601-K604 HydrophobicContact CB-CD 4.29Å; N601-K604 HydrophobicContact CB-CG 4.32Å; N601-K604 PolarHBondContact O-N 2.96Å; N601-K604 VanDerWaalsContact O-N 3.1Å; N601-K604 PolarHBondContact OD1-N 3.35Å; N601-K604 VanDerWaalsContact OD1-N 3.16Å; K604-Y607 PolarHBondContact O-N 2.83Å; K604-A608 WeakPolarHBondContact O-CB 3.24Å; K604-A608 PolarHBondContact O-N 3.21Å
605	L	89.5	Confident	88.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-51.1	177.3	-163.8	71.9	0	0	0	111.6	A233 K234 T534 V535 A538 I598 N601 K603 Y607 A608 Y609	A233-L605 HydrophobicContact CB-CD2 4.09Å; A233-L605 HydrophobicContact CB-CG 3.81Å; K234-L605 HydrophobicContact CG-CD2 4.26Å; T534-L605 HydrophobicContact CG2-CD1 4.15Å; V535-L605 HydrophobicContact CG1-CD2 4.5Å; V535-L605 HydrophobicContact CG2-CD1 4.16Å; V535-L605 HydrophobicContact CG2-CG 4.42Å; A538-L605 HydrophobicContact CB-CD1 4.47Å; A538-L605 HydrophobicContact CB-CD2 3.63Å; I598-L605 HydrophobicContact CD1-CD1 3.95Å; I598-L605 HydrophobicContact CG1-CD1 4.15Å; N601-L605 PolarHBondContact O-N 3.47Å; K603-L605 VanDerWaalsContact C-N 3.34Å; L605-Y607 VanDerWaalsContact C-N 3.3Å; L605-Y607 PolarHBondContact O-N 3.21Å; L605-A608 WeakPolarHBondContact O-CB 3.13Å; L605-A608 PolarHBondContact O-N 2.9Å; L605-A608 VanDerWaalsContact O-N 3.13Å; L605-Y609 HydrophobicContact CD1-CD2 4.26Å; L605-Y609 HydrophobicContact CD1-CE2 3.89Å; L605-Y609 HydrophobicContact CG-CD2 4.39Å; L605-Y609 HydrophobicContact CG-CE2 4.49Å; L605-Y609 WeakPolarHBondContact O-CD2 3.45Å; L605-Y609 PolarHBondContact O-N 2.96Å; L605-Y609 VanDerWaalsContact O-N 3.17Å
606	N	92.9	Very high	89.2	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-38.6	179.4	-69.4	-21.6	0	0	0	112.3	S232 A233 D602 K603 Y609 R610	S232-N606 VanDerWaalsContact CA-OD1 3.26Å; S232-N606 WeakPolarHBondContact CA-OD1 3.28Å; A233-N606 PolarHBondContact N-OD1 2.04Å; D602-N606 WeakPolarHBondContact O-CB 3.41Å; D602-N606 PolarHBondContact O-N 2.95Å; D602-N606 PolarHBondContact O-ND2 2.87Å; D602-N606 VanDerWaalsContact O-ND2 3.1Å; K603-N606 PolarHBondContact O-N 3.27Å; N606-Y609 PolarHBondContact O-N 2.93Å; N606-R610 PolarHBondContact O-N 3.4Å; N606-R610 VanDerWaalsContact O-N 3.16Å
607	Y	89.3	Confident	89.8	Confident	132 Å²	132	68 Å²	68	52%	0.518	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-43.5	174.6	-176.7	-94.1	0	0	0	111.8	K603 K604 L605 Y609 R610	K603-Y607 WeakPolarHBondContact O-CB 3.36Å; K603-Y607 PolarHBondContact O-N 3.34Å; K604-Y607 PolarHBondContact O-N 2.83Å; L605-Y607 VanDerWaalsContact C-N 3.3Å; L605-Y607 PolarHBondContact O-N 3.21Å; Y607-Y609 VanDerWaalsContact C-N 3.27Å; Y607-Y609 PolarHBondContact O-N 3.48Å; Y607-R610 WeakPolarHBondContact O-CB 3.39Å; Y607-R610 WeakPolarHBondContact O-CD 3.43Å; Y607-R610 WeakPolarHBondContact O-CG 3.29Å; Y607-R610 PolarHBondContact O-N 3.33Å
608	A	85.1	Confident	90.4	Very high	17 Å²	17	63 Å²	63	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-33.6	-179.9	0	0	0	0	0	113	V25 I598 K604 L605 Y628	V25-A608 HydrophobicContact CG2-CB 3.58Å; I598-A608 HydrophobicContact CD1-CB 4.1Å; K604-A608 WeakPolarHBondContact O-CB 3.24Å; K604-A608 PolarHBondContact O-N 3.21Å; L605-A608 WeakPolarHBondContact O-CB 3.13Å; L605-A608 PolarHBondContact O-N 2.9Å; L605-A608 VanDerWaalsContact O-N 3.13Å; A608-Y628 WeakPolarHBondContact O-CE2 2.96Å; A608-Y628 PolarHBondContact O-OH 2.79Å
609	Y	90.1	Very high	90.9	Very high	12 Å²	12	62.1 Å²	62.1	5%	0.047	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	20.6	179.9	-65.6	-84.3	0	0	0	113.5	A233 K236 F532 V535 L605 N606 Y607 T611 L612 Y628	A233-Y609 HydrophobicContact CB-CD2 3.79Å; A233-Y609 HydrophobicContact CB-CG 4.08Å; K236-Y609 PolarHBondContact NZ-O 2.98Å; F532-Y609 HydrophobicContact CD1-CD1 4.29Å; F532-Y609 AromaticContact CD1-CE1 3.82Å; F532-Y609 HydrophobicContact CD1-CE1 3.82Å; F532-Y609 HydrophobicContact CE1-CE1 4.5Å; V535-Y609 HydrophobicContact CG2-CD1 4.39Å; V535-Y609 HydrophobicContact CG2-CD2 3.63Å; V535-Y609 HydrophobicContact CG2-CE1 4.07Å; V535-Y609 HydrophobicContact CG2-CE2 3.24Å; V535-Y609 HydrophobicContact CG2-CG 4.19Å; V535-Y609 VanDerWaalsContact CG2-CZ 3.48Å; L605-Y609 HydrophobicContact CD1-CD2 4.26Å; L605-Y609 HydrophobicContact CD1-CE2 3.89Å; L605-Y609 HydrophobicContact CG-CD2 4.39Å; L605-Y609 HydrophobicContact CG-CE2 4.49Å; L605-Y609 WeakPolarHBondContact O-CD2 3.45Å; L605-Y609 PolarHBondContact O-N 2.96Å; L605-Y609 VanDerWaalsContact O-N 3.17Å; N606-Y609 PolarHBondContact O-N 2.93Å; Y607-Y609 VanDerWaalsContact C-N 3.27Å; Y607-Y609 PolarHBondContact O-N 3.48Å; Y609-T611 VanDerWaalsContact C-N 3.32Å; Y609-T611 PolarHBondContact O-N 3.48Å; Y609-L612 HydrophobicContact CD1-CD2 4.28Å; Y609-L612 WeakPolarHBondContact O-CB 3.22Å; Y609-L612 PolarHBondContact O-N 3.43Å; Y609-Y628 AromaticContact CD1-CE1 3.99Å; Y609-Y628 HydrophobicContact CD1-CE1 3.99Å; Y609-Y628 HydrophobicContact CD1-CE2 4.1Å; Y609-Y628 AromaticContact CD1-CZ 3.61Å; Y609-Y628 AromaticContact CE1-CE1 3.71Å; Y609-Y628 HydrophobicContact CE1-CE1 3.71Å; Y609-Y628 AromaticContact CE1-CZ 3.62Å; Y609-Y628 WeakPolarHBondContact CE1-OH 3.47Å
610	R	91.3	Very high	91.2	Very high	149 Å²	149	65.5 Å²	65.5	56%	0.562	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-34.3	-176.6	71.5	-172.8	176.2	73.7	1.7	113.8	K236 N606 Y607	K236-R610 PolarHBondContact NZ-O 3.01Å; N606-R610 PolarHBondContact O-N 3.4Å; N606-R610 VanDerWaalsContact O-N 3.16Å; Y607-R610 WeakPolarHBondContact O-CB 3.39Å; Y607-R610 WeakPolarHBondContact O-CD 3.43Å; Y607-R610 WeakPolarHBondContact O-CG 3.29Å; Y607-R610 PolarHBondContact O-N 3.33Å
611	T	90.1	Very high	91.7	Very high	68 Å²	68	60.7 Å²	60.7	42%	0.417	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16	-178	54.5	0	0	0	0	113.6	Y609 K613	Y609-T611 VanDerWaalsContact C-N 3.32Å; Y609-T611 PolarHBondContact O-N 3.48Å; T611-K613 PolarHBondContact O-N 3.36Å
612	L	93.6	Very high	91.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	27%	0.272	C	S	.	.			trans	-65.5	127	173.6	-177.7	67.7	0	0	0	109.4	K236 F532 Y609 T614 A625 Y628	K236-L612 HydrophobicContact CB-CD2 4.29Å; K236-L612 HydrophobicContact CD-CB 4.49Å; K236-L612 WeakPolarHBondContact CD-O 3.48Å; K236-L612 WeakPolarHBondContact CE-O 3.34Å; K236-L612 PolarHBondContact NZ-O 3.11Å; F532-L612 HydrophobicContact CD1-CD2 4.22Å; F532-L612 HydrophobicContact CE1-CD1 3.96Å; F532-L612 HydrophobicContact CE1-CD2 3.52Å; F532-L612 HydrophobicContact CE1-CG 4.39Å; F532-L612 HydrophobicContact CZ-CD1 3.94Å; F532-L612 HydrophobicContact CZ-CD2 3.81Å; Y609-L612 HydrophobicContact CD1-CD2 4.28Å; Y609-L612 WeakPolarHBondContact O-CB 3.22Å; Y609-L612 PolarHBondContact O-N 3.43Å; L612-T614 HydrophobicContact CD2-CG2 4.4Å; L612-T614 HydrophobicContact CG-CG2 4.22Å; L612-A625 HydrophobicContact CD1-CB 4.32Å; L612-Y628 HydrophobicContact CB-CD2 4.43Å
613	K	94.5	Very high	92.1	Very high	163 Å²	163	55.8 Å²	55.8	71%	0.709	26%	0.258	S	S	*	.			trans	-111.6	134.7	175.9	-62.6	-179.2	-178.6	178.3	0	109.1	T611 S624	T611-K613 PolarHBondContact O-N 3.36Å; K613-S624 PolarHBondContact N-OG 3.09Å; K613-S624 WeakPolarHBondContact O-CB 3.42Å; K613-S624 PolarHBondContact O-OG 3.03Å
614	T	94.6	Very high	92.2	Very high	32 Å²	32	48.3 Å²	48.3	20%	0.196	23%	0.228	C	C	.	.			trans	-131.6	153.2	179.3	57	0	0	0	0	110.4	K236 Q239 F240 L612 N621	K236-T614 HydrophobicContact CB-CG2 3.96Å; K236-T614 WeakPolarHBondContact O-CG2 3.3Å; Q239-T614 PolarHBondContact OE1-O 2.77Å; Q239-T614 PolarHBondContact OE1-OG1 2.84Å; F240-T614 HydrophobicContact CB-CG2 4.5Å; L612-T614 HydrophobicContact CD2-CG2 4.4Å; L612-T614 HydrophobicContact CG-CG2 4.22Å; T614-N621 WeakPolarHBondContact CA-OD1 3.4Å
615	S	93.4	Very high	92.4	Very high	41 Å²	41	45.9 Å²	45.9	29%	0.287	22%	0.217	S	C	.	.			trans	-154.2	-175.5	-174.8	72.5	0	0	0	0	109.2	N617 N621	S615-N617 VanDerWaalsContact C-N 3.25Å; S615-N617 PolarHBondContact O-N 3.12Å; S615-N617 PolarHBondContact OG-N 2.87Å; S615-N617 VanDerWaalsContact OG-N 3.12Å; S615-N621 PolarHBondContact N-OD1 3.27Å; S615-N621 PolarHBondContact O-ND2 2.91Å; S615-N621 PolarHBondContact O-OD1 3.45Å; S615-N621 PolarHBondContact OG-OD1 3.07Å
616	Y	91.8	Very high	92.4	Very high	138 Å²	138	46 Å²	46	54%	0.541	22%	0.218	S	C	.	.	S	Bend	trans	-73.6	-15.4	171.7	-57.6	-80.2	0	0	0	113.3	Y223 L249 Y618	Y223-Y616 WeakPolarHBondContact OH-CD1 3.27Å; Y223-Y616 WeakPolarHBondContact OH-CE1 3.11Å; L249-Y616 WeakPolarHBondContact CD2-O 3.37Å; Y616-Y618 PolarHBondContact O-N 3Å
617	N	92.8	Very high	92.3	Very high	29 Å²	29	46 Å²	46	16%	0.155	22%	0.216	C	C	.	.			trans	-89.7	107.5	-178.9	-178	-39.4	0	0	0	110.8	L253 S615 L619 N620 N621	L253-N617 WeakPolarHBondContact CD1-ND2 3.27Å; S615-N617 VanDerWaalsContact C-N 3.25Å; S615-N617 PolarHBondContact O-N 3.12Å; S615-N617 PolarHBondContact OG-N 2.87Å; S615-N617 VanDerWaalsContact OG-N 3.12Å; N617-L619 PolarHBondContact O-N 3.02Å; N617-L619 PolarHBondContact OD1-N 2.69Å; N617-L619 VanDerWaalsContact OD1-N 3.09Å; N617-N620 HydrophobicContact CB-CB 4.13Å; N617-N620 PolarHBondContact ND2-ND2 2.89Å; N617-N620 PolarHBondContact O-N 3.37Å; N617-N620 PolarHBondContact OD1-N 3.25Å; N617-N620 VanDerWaalsContact OD1-N 3.09Å; N617-N621 PolarHBondContact O-N 3.29Å; N617-N621 PolarHBondContact O-ND2 3.1Å; N617-N621 PolarHBondContact O-OD1 3.23Å
618	Y	93.9	Very high	92.3	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-49.1	-178.9	178.7	-125.8	0	0	0	114.2	F240 S243 C244 W499 H500 Y616 N620 N621 L622	F240-Y618 HydrophobicContact CE1-CE2 4.15Å; F240-Y618 HydrophobicContact CE2-CE2 4.14Å; F240-Y618 AromaticContact CZ-CE2 3.77Å; F240-Y618 HydrophobicContact CZ-CE2 3.77Å; S243-Y618 WeakPolarHBondContact O-CB 3.42Å; C244-Y618 VanDerWaalsContact CA-CD2 3.46Å; C244-Y618 HydrophobicContact CB-CD2 3.6Å; C244-Y618 HydrophobicContact CB-CE2 3.36Å; C244-Y618 HydrophobicContact CB-CG 4.32Å; W499-Y618 WeakPolarHBondContact CZ3-OH 3.36Å; H500-Y618 HydrophobicContact CB-CD1 4.37Å; H500-Y618 HydrophobicContact CB-CE1 3.73Å; H500-Y618 PolarHBondContact CE1-OH 2.94Å; H500-Y618 AromaticContact CG-CE1 3.94Å; H500-Y618 AromaticContact ND1-CE1 3.36Å; H500-Y618 WeakPolarHBondContact ND1-CE1 3.06Å; H500-Y618 AromaticContact ND1-CZ 3.44Å; H500-Y618 PolarHBondContact ND1-OH 2.82Å; Y616-Y618 PolarHBondContact O-N 3Å; Y618-N620 VanDerWaalsContact C-N 3.32Å; Y618-N620 PolarHBondContact O-N 2.63Å; Y618-N621 WeakPolarHBondContact O-CA 3.39Å; Y618-N621 WeakPolarHBondContact O-CB 3.17Å; Y618-N621 PolarHBondContact O-N 2.74Å; Y618-N621 VanDerWaalsContact O-N 3.09Å; Y618-L622 PolarHBondContact O-N 3.27Å
619	L	93.5	Very high	92.1	Very high	8 Å²	8	40 Å²	40	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-36.3	-175.3	-162.3	74.4	0	0	0	111.7	P257 L258 Y497 H500 L501 N617 N621 L622 F623	P257-L619 HydrophobicContact CB-CB 4.41Å; P257-L619 HydrophobicContact CB-CD2 3.79Å; L258-L619 HydrophobicContact CB-CD2 3.73Å; L258-L619 HydrophobicContact CD1-CD2 4.37Å; Y497-L619 HydrophobicContact CD1-CD1 4.05Å; H500-L619 HydrophobicContact CB-CD1 3.81Å; L501-L619 HydrophobicContact CD2-CD1 4.48Å; L501-L619 HydrophobicContact CD2-CD2 4.18Å; N617-L619 PolarHBondContact O-N 3.02Å; N617-L619 PolarHBondContact OD1-N 2.69Å; N617-L619 VanDerWaalsContact OD1-N 3.09Å; L619-N621 VanDerWaalsContact C-N 3.34Å; L619-L622 HydrophobicContact CD1-CD2 4.08Å; L619-L622 WeakPolarHBondContact O-CB 3.33Å; L619-L622 PolarHBondContact O-N 3.11Å; L619-F623 HydrophobicContact CD1-CE1 4.47Å; L619-F623 HydrophobicContact CD1-CZ 4.32Å; L619-F623 HydrophobicContact CD2-CE1 4.4Å; L619-F623 HydrophobicContact CD2-CE2 3.82Å; L619-F623 HydrophobicContact CD2-CZ 3.51Å; L619-F623 HydrophobicContact CG-CE1 4.12Å; L619-F623 HydrophobicContact CG-CE2 3.81Å; L619-F623 HydrophobicContact CG-CZ 3.59Å; L619-F623 VanDerWaalsContact O-CD2 3.31Å; L619-F623 WeakPolarHBondContact O-CD2 3.45Å; L619-F623 VanDerWaalsContact O-CG 3.29Å; L619-F623 WeakPolarHBondContact O-CG 3.23Å; L619-F623 PolarHBondContact O-N 2.96Å
620	N	93.9	Very high	91.9	Very high	78 Å²	78	40 Å²	40	42%	0.417	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-38.4	172.8	-73	-17.7	0	0	0	112	N617 Y618 L622 F623 S624	N617-N620 HydrophobicContact CB-CB 4.13Å; N617-N620 PolarHBondContact ND2-ND2 2.89Å; N617-N620 PolarHBondContact O-N 3.37Å; N617-N620 PolarHBondContact OD1-N 3.25Å; N617-N620 VanDerWaalsContact OD1-N 3.09Å; Y618-N620 VanDerWaalsContact C-N 3.32Å; Y618-N620 PolarHBondContact O-N 2.63Å; N620-L622 VanDerWaalsContact C-N 3.3Å; N620-F623 PolarHBondContact O-N 3.37Å; N620-S624 PolarHBondContact O-N 2.98Å
621	N	94.9	Very high	91.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-41.2	174.5	-58.9	-15.9	0	0	0	110.5	F240 S243 T614 S615 N617 Y618 L619 S624 A625	F240-N621 HydrophobicContact CD2-CB 3.78Å; F240-N621 HydrophobicContact CE2-CB 4.25Å; S243-N621 PolarHBondContact OG-ND2 2.63Å; T614-N621 WeakPolarHBondContact CA-OD1 3.4Å; S615-N621 PolarHBondContact N-OD1 3.27Å; S615-N621 PolarHBondContact O-ND2 2.91Å; S615-N621 PolarHBondContact O-OD1 3.45Å; S615-N621 PolarHBondContact OG-OD1 3.07Å; N617-N621 PolarHBondContact O-N 3.29Å; N617-N621 PolarHBondContact O-ND2 3.1Å; N617-N621 PolarHBondContact O-OD1 3.23Å; Y618-N621 WeakPolarHBondContact O-CA 3.39Å; Y618-N621 WeakPolarHBondContact O-CB 3.17Å; Y618-N621 PolarHBondContact O-N 2.74Å; Y618-N621 VanDerWaalsContact O-N 3.09Å; L619-N621 VanDerWaalsContact C-N 3.34Å; N621-S624 CarbonylContact O-C 3.48Å; N621-S624 WeakPolarHBondContact O-CB 3.37Å; N621-S624 PolarHBondContact O-N 3.05Å; N621-A625 PolarHBondContact O-N 3.03Å
622	L	93.7	Very high	91.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-45	175.8	-177.8	66.3	0	0	0	112.2	L15 F240 Y497 H500 L531 Y618 L619 N620 S624 A625 V626	L15-L622 HydrophobicContact CD1-CD1 3.54Å; L15-L622 HydrophobicContact CD1-CD2 4.1Å; L15-L622 HydrophobicContact CD1-CG 4.32Å; F240-L622 HydrophobicContact CZ-CD1 4.41Å; Y497-L622 HydrophobicContact CD1-CD2 3.82Å; Y497-L622 HydrophobicContact CE1-CD2 3.67Å; Y497-L622 HydrophobicContact CE1-CG 4.29Å; H500-L622 HydrophobicContact CB-CD2 3.99Å; H500-L622 VanDerWaalsContact CG-CD2 3.45Å; H500-L622 WeakPolarHBondContact ND1-CD2 3.29Å; L531-L622 HydrophobicContact CD1-CD1 4.19Å; Y618-L622 PolarHBondContact O-N 3.27Å; L619-L622 HydrophobicContact CD1-CD2 4.08Å; L619-L622 WeakPolarHBondContact O-CB 3.33Å; L619-L622 PolarHBondContact O-N 3.11Å; N620-L622 VanDerWaalsContact C-N 3.3Å; L622-S624 VanDerWaalsContact C-N 3.28Å; L622-S624 PolarHBondContact O-N 3.02Å; L622-A625 WeakPolarHBondContact O-CB 3.47Å; L622-A625 PolarHBondContact O-N 2.78Å; L622-A625 VanDerWaalsContact O-N 3.09Å; L622-V626 WeakPolarHBondContact O-CG2 3.45Å; L622-V626 PolarHBondContact O-N 3.26Å
623	F	94.4	Very high	90.4	Very high	14 Å²	14	30.4 Å²	30.4	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-39.8	172.9	-61.5	-34.5	0	0	0	111.9	L258 K261 L324 Y497 L619 N620 A625 V626 Q627	L258-F623 HydrophobicContact CD1-CE1 4.31Å; L258-F623 HydrophobicContact CD1-CZ 3.97Å; K261-F623 HydrophobicContact CB-CD2 4.34Å; K261-F623 HydrophobicContact CB-CE2 3.65Å; K261-F623 HydrophobicContact CB-CZ 3.9Å; K261-F623 HydrophobicContact CG-CD2 4.06Å; K261-F623 HydrophobicContact CG-CE1 4.4Å; K261-F623 HydrophobicContact CG-CE2 3.78Å; K261-F623 HydrophobicContact CG-CG 4.49Å; K261-F623 HydrophobicContact CG-CZ 3.96Å; L324-F623 HydrophobicContact CD2-CD1 3.43Å; L324-F623 VanDerWaalsContact CD2-CD1 3.43Å; L324-F623 HydrophobicContact CD2-CE1 3.45Å; L324-F623 VanDerWaalsContact CD2-CE1 3.45Å; L324-F623 HydrophobicContact CD2-CG 4.26Å; L324-F623 HydrophobicContact CD2-CZ 4.27Å; Y497-F623 HydrophobicContact CD1-CE1 4.18Å; Y497-F623 HydrophobicContact CE1-CD1 4.06Å; Y497-F623 AromaticContact CE1-CE1 3.64Å; Y497-F623 HydrophobicContact CE1-CE1 3.64Å; Y497-F623 AromaticContact CZ-CE1 3.83Å; L619-F623 HydrophobicContact CD1-CE1 4.47Å; L619-F623 HydrophobicContact CD1-CZ 4.32Å; L619-F623 HydrophobicContact CD2-CE1 4.4Å; L619-F623 HydrophobicContact CD2-CE2 3.82Å; L619-F623 HydrophobicContact CD2-CZ 3.51Å; L619-F623 HydrophobicContact CG-CE1 4.12Å; L619-F623 HydrophobicContact CG-CE2 3.81Å; L619-F623 HydrophobicContact CG-CZ 3.59Å; L619-F623 VanDerWaalsContact O-CD2 3.31Å; L619-F623 WeakPolarHBondContact O-CD2 3.45Å; L619-F623 VanDerWaalsContact O-CG 3.29Å; L619-F623 WeakPolarHBondContact O-CG 3.23Å; L619-F623 PolarHBondContact O-N 2.96Å; N620-F623 PolarHBondContact O-N 3.37Å; F623-A625 VanDerWaalsContact C-N 3.31Å; F623-A625 PolarHBondContact O-N 3.14Å; F623-V626 PolarHBondContact O-N 2.61Å; F623-Q627 WeakPolarHBondContact O-CG 3.43Å; F623-Q627 PolarHBondContact O-N 3.11Å
624	S	94.8	Very high	89.9	Confident	22 Å²	22	22.7 Å²	22.7	15%	0.154	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-35.6	174.3	-171.4	0	0	0	0	112.4	K613 N620 N621 L622 Q627 Y628	K613-S624 PolarHBondContact N-OG 3.09Å; K613-S624 WeakPolarHBondContact O-CB 3.42Å; K613-S624 PolarHBondContact O-OG 3.03Å; N620-S624 PolarHBondContact O-N 2.98Å; N621-S624 CarbonylContact O-C 3.48Å; N621-S624 WeakPolarHBondContact O-CB 3.37Å; N621-S624 PolarHBondContact O-N 3.05Å; L622-S624 VanDerWaalsContact C-N 3.28Å; L622-S624 PolarHBondContact O-N 3.02Å; S624-Q627 PolarHBondContact O-N 3.24Å; S624-Y628 WeakPolarHBondContact O-CB 3.49Å; S624-Y628 PolarHBondContact O-N 3.24Å
625	A	92.5	Very high	89.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.6	-46.4	175.8	0	0	0	0	0	110.8	F240 L531 F532 L612 N621 L622 F623 Q627 Y628 I629	F240-A625 HydrophobicContact CE2-CB 4.37Å; L531-A625 HydrophobicContact CD1-CB 4.02Å; L531-A625 HydrophobicContact CD2-CB 4.5Å; F532-A625 HydrophobicContact CE1-CB 4.41Å; F532-A625 HydrophobicContact CZ-CB 3.72Å; L612-A625 HydrophobicContact CD1-CB 4.32Å; N621-A625 PolarHBondContact O-N 3.03Å; L622-A625 WeakPolarHBondContact O-CB 3.47Å; L622-A625 PolarHBondContact O-N 2.78Å; L622-A625 VanDerWaalsContact O-N 3.09Å; F623-A625 VanDerWaalsContact C-N 3.31Å; F623-A625 PolarHBondContact O-N 3.14Å; A625-Q627 VanDerWaalsContact C-N 3.29Å; A625-Q627 PolarHBondContact O-N 3.42Å; A625-Y628 WeakPolarHBondContact O-CB 3.35Å; A625-Y628 PolarHBondContact O-N 3.42Å; A625-Y628 VanDerWaalsContact O-N 3.16Å; A625-I629 VanDerWaalsContact O-CB 3.28Å; A625-I629 WeakPolarHBondContact O-CB 3.37Å; A625-I629 WeakPolarHBondContact O-CD1 3.19Å; A625-I629 WeakPolarHBondContact O-CG1 3.27Å; A625-I629 PolarHBondContact O-N 3.42Å
626	V	90.2	Very high	88.4	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-56.8	-41.7	175	171	0	0	0	0	112	L17 N325 L622 F623 I629 R630	L17-V626 HydrophobicContact CD1-CG2 3.88Å; N325-V626 HydrophobicContact CB-CG1 3.69Å; L622-V626 WeakPolarHBondContact O-CG2 3.45Å; L622-V626 PolarHBondContact O-N 3.26Å; F623-V626 PolarHBondContact O-N 2.61Å; V626-I629 VanDerWaalsContact O-CB 3.31Å; V626-I629 WeakPolarHBondContact O-CB 3.32Å; V626-I629 PolarHBondContact O-N 3.05Å; V626-R630 PolarHBondContact O-N 2.72Å
627	Q	90.7	Very high	87.9	Confident	57 Å²	57	16.7 Å²	16.7	27%	0.266	8%	0.082	S	C	.	.	H	α-helix	trans	-69.4	-41.4	176.5	-70.4	-56.6	-61.9	0	0	112.8	V322 Q323 F623 S624 A625 I629 R630 G631	V322-Q627 PolarHBondContact O-NE2 3.32Å; Q323-Q627 PolarHBondContact O-NE2 2.99Å; F623-Q627 WeakPolarHBondContact O-CG 3.43Å; F623-Q627 PolarHBondContact O-N 3.11Å; S624-Q627 PolarHBondContact O-N 3.24Å; A625-Q627 VanDerWaalsContact C-N 3.29Å; A625-Q627 PolarHBondContact O-N 3.42Å; Q627-I629 PolarHBondContact O-N 2.97Å; Q627-R630 PolarHBondContact O-N 3.43Å; Q627-G631 PolarHBondContact O-N 3.11Å; Q627-G631 VanDerWaalsContact O-N 3.12Å
628	Y	89.1	Confident	87.2	Confident	23 Å²	23	17.3 Å²	17.3	9%	0.09	9%	0.089	C	C	.	.	H	α-helix	trans	-54.6	-46.7	174.3	167.9	-99.2	0	0	0	111.2	A608 Y609 L612 S624 A625 G631 V632	A608-Y628 WeakPolarHBondContact O-CE2 2.96Å; A608-Y628 PolarHBondContact O-OH 2.79Å; Y609-Y628 AromaticContact CD1-CE1 3.99Å; Y609-Y628 HydrophobicContact CD1-CE1 3.99Å; Y609-Y628 HydrophobicContact CD1-CE2 4.1Å; Y609-Y628 AromaticContact CD1-CZ 3.61Å; Y609-Y628 AromaticContact CE1-CE1 3.71Å; Y609-Y628 HydrophobicContact CE1-CE1 3.71Å; Y609-Y628 AromaticContact CE1-CZ 3.62Å; Y609-Y628 WeakPolarHBondContact CE1-OH 3.47Å; L612-Y628 HydrophobicContact CB-CD2 4.43Å; S624-Y628 WeakPolarHBondContact O-CB 3.49Å; S624-Y628 PolarHBondContact O-N 3.24Å; A625-Y628 WeakPolarHBondContact O-CB 3.35Å; A625-Y628 PolarHBondContact O-N 3.42Å; A625-Y628 VanDerWaalsContact O-N 3.16Å; Y628-G631 WeakPolarHBondContact O-CA 2.88Å; Y628-G631 PolarHBondContact O-N 3.22Å; Y628-V632 HydrophobicContact CD1-CG2 4.38Å; Y628-V632 HydrophobicContact CE1-CG2 3.89Å; Y628-V632 PolarHBondContact O-N 2.92Å
629	I	80.3	Confident	86.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.1	-50.2	177.9	-80.8	171.4	0	0	0	112.6	L17 F21 L531 A625 V626 Q627 G631 V632 Y633	L17-I629 HydrophobicContact CB-CD1 4.47Å; L17-I629 HydrophobicContact CD1-CD1 4.08Å; L17-I629 HydrophobicContact CD2-CD1 4.14Å; L17-I629 HydrophobicContact CD2-CG2 4.06Å; L17-I629 HydrophobicContact CG-CD1 4.47Å; F21-I629 HydrophobicContact CD1-CB 4.39Å; F21-I629 HydrophobicContact CD1-CD1 4.38Å; F21-I629 HydrophobicContact CD1-CG1 3.72Å; F21-I629 HydrophobicContact CD2-CD1 3.72Å; F21-I629 HydrophobicContact CD2-CG1 3.98Å; F21-I629 HydrophobicContact CE1-CB 3.49Å; F21-I629 VanDerWaalsContact CE1-CB 3.49Å; F21-I629 HydrophobicContact CE1-CD1 3.99Å; F21-I629 HydrophobicContact CE1-CG1 3.26Å; F21-I629 HydrophobicContact CE1-CG2 3.34Å; F21-I629 HydrophobicContact CE2-CB 4.11Å; F21-I629 HydrophobicContact CE2-CD1 3.15Å; F21-I629 HydrophobicContact CE2-CG1 3.46Å; F21-I629 VanDerWaalsContact CE2-CG1 3.46Å; F21-I629 HydrophobicContact CE2-CG2 3.8Å; F21-I629 HydrophobicContact CG-CD1 4.37Å; F21-I629 HydrophobicContact CG-CG1 4.17Å; F21-I629 HydrophobicContact CZ-CB 3.43Å; F21-I629 VanDerWaalsContact CZ-CB 3.43Å; F21-I629 HydrophobicContact CZ-CD1 3.46Å; F21-I629 VanDerWaalsContact CZ-CD1 3.46Å; F21-I629 HydrophobicContact CZ-CG1 3.23Å; F21-I629 HydrophobicContact CZ-CG2 2.91Å; L531-I629 HydrophobicContact CD2-CD1 3.26Å; A625-I629 VanDerWaalsContact O-CB 3.28Å; A625-I629 WeakPolarHBondContact O-CB 3.37Å; A625-I629 WeakPolarHBondContact O-CD1 3.19Å; A625-I629 WeakPolarHBondContact O-CG1 3.27Å; A625-I629 PolarHBondContact O-N 3.42Å; V626-I629 VanDerWaalsContact O-CB 3.31Å; V626-I629 WeakPolarHBondContact O-CB 3.32Å; V626-I629 PolarHBondContact O-N 3.05Å; Q627-I629 PolarHBondContact O-N 2.97Å; I629-G631 PolarHBondContact O-N 3.13Å; I629-V632 WeakPolarHBondContact O-CA 3.41Å; I629-V632 VanDerWaalsContact O-CB 3.3Å; I629-V632 WeakPolarHBondContact O-CB 3.49Å; I629-V632 PolarHBondContact O-N 2.6Å; I629-Y633 PolarHBondContact O-N 3.43Å
630	R	86.6	Confident	84.7	Confident	11 Å²	11	23.3 Å²	23.3	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-39.4	176.9	177.3	-177.1	169.5	-92.1	11.3	110.7	V322 A439 Y440 D442 V626 Q627 V632 Y633 N634	V322-R630 WeakPolarHBondContact O-CD 3.49Å; A439-R630 PolarHBondContact O-NH2 3.22Å; Y440-R630 HydrophobicContact CE1-CG 4.31Å; Y440-R630 VanDerWaalsContact O-CZ 3.25Å; Y440-R630 PolarHBondContact O-NE 3.22Å; Y440-R630 PolarHBondContact O-NH2 3.42Å; D442-R630 IonicContact OD1-CZ 3.32Å; D442-R630 VanDerWaalsContact OD1-CZ 3.26Å; D442-R630 IonicContact OD1-NH1 2.92Å; D442-R630 PolarHBondContact OD1-NH1 3.32Å; D442-R630 IonicContact OD1-NH2 2.75Å; D442-R630 PolarHBondContact OD1-NH2 3.47Å; D442-R630 IonicContact OD2-CZ 2.62Å; D442-R630 IonicContact OD2-NH1 3.04Å; D442-R630 IonicContact OD2-NH2 3.27Å; D442-R630 PolarHBondContact OD2-NH2 3.35Å; V626-R630 PolarHBondContact O-N 2.72Å; Q627-R630 PolarHBondContact O-N 3.43Å; R630-V632 VanDerWaalsContact C-N 3.33Å; R630-V632 PolarHBondContact O-N 3.41Å; R630-Y633 WeakPolarHBondContact O-CB 3.48Å; R630-Y633 PolarHBondContact O-N 3.19Å; R630-N634 PolarHBondContact O-N 2.92Å; R630-N634 PolarHBondContact O-ND2 3.36Å
631	G	84	Confident	83.1	Confident	5 Å²	5	20.1 Å²	20.1	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-36.7	173.5	0	0	0	0	0	113.1	Q627 Y628 I629 Y633 R635	Q627-G631 PolarHBondContact O-N 3.11Å; Q627-G631 VanDerWaalsContact O-N 3.12Å; Y628-G631 WeakPolarHBondContact O-CA 2.88Å; Y628-G631 PolarHBondContact O-N 3.22Å; I629-G631 PolarHBondContact O-N 3.13Å; G631-Y633 VanDerWaalsContact C-N 3.34Å; G631-R635 WeakPolarHBondContact O-CG 3.2Å; G631-R635 PolarHBondContact O-N 2.96Å; G631-R635 VanDerWaalsContact O-N 3.12Å; G631-R635 PolarHBondContact O-NH1 3.18Å
632	V	79.9	Confident	81	Confident	10 Å²	10	25.8 Å²	25.8	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-44.4	172.2	177.9	0	0	0	0	110.2	Y628 I629 R630 N634 R635 L636	Y628-V632 HydrophobicContact CD1-CG2 4.38Å; Y628-V632 HydrophobicContact CE1-CG2 3.89Å; Y628-V632 PolarHBondContact O-N 2.92Å; I629-V632 WeakPolarHBondContact O-CA 3.41Å; I629-V632 VanDerWaalsContact O-CB 3.3Å; I629-V632 WeakPolarHBondContact O-CB 3.49Å; I629-V632 PolarHBondContact O-N 2.6Å; R630-V632 VanDerWaalsContact C-N 3.33Å; R630-V632 PolarHBondContact O-N 3.41Å; V632-N634 PolarHBondContact O-N 3.38Å; V632-R635 PolarHBondContact O-N 2.9Å; V632-R635 VanDerWaalsContact O-N 3.16Å; V632-L636 HydrophobicContact CG1-CD1 3.89Å; V632-L636 HydrophobicContact CG1-CG 4.23Å; V632-L636 WeakPolarHBondContact O-CG 3.33Å; V632-L636 PolarHBondContact O-N 3.45Å
633	Y	79.6	Confident	78.9	Confident	1 Å²	1	28 Å²	28	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-42.1	-179.9	-86	22.5	0	0	0	113	N20 F21 I334 Y440 I629 R630 G631 L636 L637	N20-Y633 WeakPolarHBondContact CA-OH 3.36Å; N20-Y633 WeakPolarHBondContact CB-OH 3.43Å; N20-Y633 WeakPolarHBondContact O-CE1 3.26Å; N20-Y633 PolarHBondContact O-OH 3.17Å; N20-Y633 PolarHBondContact OD1-OH 3.26Å; F21-Y633 HydrophobicContact CE1-CD1 4.26Å; F21-Y633 AromaticContact CE1-CE1 3.88Å; F21-Y633 HydrophobicContact CE1-CE1 3.88Å; F21-Y633 HydrophobicContact CZ-CE1 4.24Å; I334-Y633 HydrophobicContact CG1-CD2 4.18Å; I334-Y633 HydrophobicContact CG1-CE2 4.45Å; I334-Y633 HydrophobicContact CG1-CG 4.36Å; Y440-Y633 HydrophobicContact CE1-CD2 4.13Å; I629-Y633 PolarHBondContact O-N 3.43Å; R630-Y633 WeakPolarHBondContact O-CB 3.48Å; R630-Y633 PolarHBondContact O-N 3.19Å; G631-Y633 VanDerWaalsContact C-N 3.34Å; Y633-L636 HydrophobicContact CD1-CD1 4.37Å; Y633-L636 PolarHBondContact O-N 3.09Å; Y633-L637 WeakPolarHBondContact O-CB 2.77Å; Y633-L637 PolarHBondContact O-N 2.92Å
634	N	84.4	Confident	76.6	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-44.8	173.2	-82.7	-89.8	0	0	0	112	Y440 F441 D442 E443 T444 R630 V632 L637 S638	Y440-N634 PolarHBondContact O-ND2 2.73Å; F441-N634 WeakPolarHBondContact CA-OD1 3.46Å; F441-N634 PolarHBondContact O-OD1 3Å; D442-N634 PolarHBondContact N-OD1 3.44Å; E443-N634 HydrophobicContact CB-CB 3.75Å; E443-N634 WeakPolarHBondContact CB-OD1 3.23Å; E443-N634 PolarHBondContact N-OD1 2.98Å; T444-N634 HydrophobicContact CG2-CB 4.04Å; T444-N634 WeakPolarHBondContact CG2-O 3.41Å; T444-N634 WeakPolarHBondContact CG2-OD1 3.01Å; T444-N634 PolarHBondContact N-OD1 2.85Å; R630-N634 PolarHBondContact O-N 2.92Å; R630-N634 PolarHBondContact O-ND2 3.36Å; V632-N634 PolarHBondContact O-N 3.38Å; N634-L637 PolarHBondContact O-N 3.28Å; N634-S638 WeakPolarHBondContact O-CB 2.9Å; N634-S638 PolarHBondContact O-N 3.39Å; N634-S638 PolarHBondContact O-OG 2.85Å
635	R	79.3	Confident	74.1	Confident	65 Å²	65	34.2 Å²	34.2	25%	0.245	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-39.8	177.6	-71.9	-169.8	-59.6	-82.6	5.4	113.3	G631 V632 S638 G639 V640 T641	G631-R635 WeakPolarHBondContact O-CG 3.2Å; G631-R635 PolarHBondContact O-N 2.96Å; G631-R635 VanDerWaalsContact O-N 3.12Å; G631-R635 PolarHBondContact O-NH1 3.18Å; V632-R635 PolarHBondContact O-N 2.9Å; V632-R635 VanDerWaalsContact O-N 3.16Å; R635-S638 WeakPolarHBondContact CA-OG 3.42Å; R635-S638 PolarHBondContact O-OG 2.97Å; R635-G639 PolarHBondContact O-N 3.32Å; R635-V640 PolarHBondContact O-N 3.08Å; R635-T641 HydrophobicContact CB-CG2 3.85Å
636	L	76.6	Confident	72.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-50.2	175.8	-71.2	170.1	0	0	0	110.5	Y23 I334 T336 P342 V632 Y633 S638 G639	Y23-L636 HydrophobicContact CD2-CD2 4.27Å; Y23-L636 HydrophobicContact CG-CD2 4.34Å; I334-L636 HydrophobicContact CG2-CB 4.32Å; T336-L636 HydrophobicContact CG2-CD2 4.37Å; P342-L636 WeakPolarHBondContact CG-O 3.49Å; V632-L636 HydrophobicContact CG1-CD1 3.89Å; V632-L636 HydrophobicContact CG1-CG 4.23Å; V632-L636 WeakPolarHBondContact O-CG 3.33Å; V632-L636 PolarHBondContact O-N 3.45Å; Y633-L636 HydrophobicContact CD1-CD1 4.37Å; Y633-L636 PolarHBondContact O-N 3.09Å; L636-S638 VanDerWaalsContact C-N 3.29Å; L636-S638 PolarHBondContact O-N 3.29Å; L636-G639 PolarHBondContact O-N 3.38Å
637	L	79.9	Confident	70.7	Confident	18 Å²	18	39.4 Å²	39.4	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-31.5	-176.9	-167.3	63.1	0	0	0	112.7	I334 F441 T444 F448 Y633 N634 G639	I334-L637 HydrophobicContact CD1-CD1 4.04Å; F441-L637 HydrophobicContact CB-CD2 4.32Å; F441-L637 HydrophobicContact CD1-CB 4.49Å; F441-L637 HydrophobicContact CD1-CD2 3.64Å; F441-L637 HydrophobicContact CD2-CD2 4.15Å; F441-L637 HydrophobicContact CE1-CD2 3.87Å; F441-L637 HydrophobicContact CE2-CD2 4.38Å; F441-L637 HydrophobicContact CG-CD2 3.78Å; F441-L637 HydrophobicContact CZ-CD2 4.25Å; T444-L637 HydrophobicContact CG2-CB 4.22Å; T444-L637 HydrophobicContact CG2-CD2 4.43Å; F448-L637 HydrophobicContact CE1-CD2 4.09Å; F448-L637 HydrophobicContact CZ-CD2 3.71Å; Y633-L637 WeakPolarHBondContact O-CB 2.77Å; Y633-L637 PolarHBondContact O-N 2.92Å; N634-L637 PolarHBondContact O-N 3.28Å; L637-G639 PolarHBondContact O-N 3.09Å
638	S	78.3	Confident	69.5	Low	42 Å²	42	36.8 Å²	36.8	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-74.5	-10.4	174.2	59.6	0	0	0	0	114	N634 R635 L636 V640	N634-S638 WeakPolarHBondContact O-CB 2.9Å; N634-S638 PolarHBondContact O-N 3.39Å; N634-S638 PolarHBondContact O-OG 2.85Å; R635-S638 WeakPolarHBondContact CA-OG 3.42Å; R635-S638 PolarHBondContact O-OG 2.97Å; L636-S638 VanDerWaalsContact C-N 3.29Å; L636-S638 PolarHBondContact O-N 3.29Å; S638-V640 PolarHBondContact O-N 2.86Å; S638-V640 WeakPolarHBondContact OG-CG2 3.48Å
639	G	70.9	Confident	68	Low	52 Å²	52	36.1 Å²	36.1	54%	0.536	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	15.9	-179.3	0	0	0	0	0	114.1	R635 L636 L637 T641	R635-G639 PolarHBondContact O-N 3.32Å; L636-G639 PolarHBondContact O-N 3.38Å; L637-G639 PolarHBondContact O-N 3.09Å; G639-T641 PolarHBondContact O-N 3.2Å
640	V	65.2	Low	67	Low	85 Å²	85	36.9 Å²	36.9	52%	0.515	21%	0.208	S	C	.	.			trans	-73.5	-13.8	179.3	171.2	0	0	0	0	111.8	F26 R635 S638	F26-V640 HydrophobicContact CE1-CG1 3.75Å; F26-V640 WeakPolarHBondContact CE1-O 3.35Å; F26-V640 HydrophobicContact CZ-CG1 4.08Å; R635-V640 PolarHBondContact O-N 3.08Å; S638-V640 PolarHBondContact O-N 2.86Å; S638-V640 WeakPolarHBondContact OG-CG2 3.48Å
641	T	59.4	Low	65.9	Low	11 Å²	11	37.6 Å²	37.6	7%	0.067	21%	0.211	C	C	.	.	S	Bend	trans	-106.9	133	178.1	59.6	0	0	0	0	108.7	Q24 F26 R635 G639	Q24-T641 HydrophobicContact CB-CG2 4.26Å; Q24-T641 VanDerWaalsContact OE1-CA 3.25Å; Q24-T641 PolarHBondContact OE1-O 3.48Å; Q24-T641 PolarHBondContact OE1-OG1 3.4Å; F26-T641 HydrophobicContact CZ-CG2 4.29Å; R635-T641 HydrophobicContact CB-CG2 3.85Å; G639-T641 PolarHBondContact O-N 3.2Å
642	E	50.4	Low	65.1	Low	120 Å²	120	41.8 Å²	41.8	56%	0.561	23%	0.232	S	C	*	.			trans	-75.7	122	173.6	-75.8	-167.1	148.8	0	0	110.7	Q24 S644	Q24-E642 WeakPolarHBondContact CG-O 3.08Å; Q24-E642 PolarHBondContact NE2-O 3.3Å; Q24-E642 PolarHBondContact OE1-O 2.85Å; E642-S644 PolarHBondContact O-N 3.09Å
643	T	50.3	Low	64.7	Low	46 Å²	46	41.3 Å²	41.3	28%	0.282	23%	0.23	S	C	.	.			trans	-62.7	75.7	166.7	55.6	0	0	0	0	111.2	Q24 E645	Q24-T643 VanDerWaalsContact CD-N 3.26Å; T643-E645 PolarHBondContact O-N 3.04Å
644	S	46.6	Very low	64.6	Low	51 Å²	51	44 Å²	44	36%	0.357	24%	0.243	S	C	.	.			trans	-56.9	125.4	174.3	72.3	0	0	0	0	107.5	E642 E646 N647	E642-S644 PolarHBondContact O-N 3.09Å; S644-E646 PolarHBondContact O-N 2.75Å; S644-N647 PolarHBondContact O-N 3.39Å
645	E	42	Very low	64.6	Low	116 Å²	116	44.1 Å²	44.1	54%	0.542	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.3	-174.8	-66.2	-164.2	150.8	0	0	112.9	K590 T643	K590-E645 IonicContact NZ-OE1 3.47Å; K590-E645 IonicContact NZ-OE2 2.79Å; K590-E645 PolarHBondContact NZ-OE2 2.78Å; T643-E645 PolarHBondContact O-N 3.04Å
646	E	51.8	Low	64.8	Low	98 Å²	98	41.3 Å²	41.3	46%	0.458	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	13.7	-175.8	-60.5	-172.5	164.7	0	0	113.5	P596 S644 W648	P596-E646 WeakPolarHBondContact CG-O 3.18Å; S644-E646 PolarHBondContact O-N 2.75Å; E646-W648 VanDerWaalsContact O-CD1 3.26Å; E646-W648 PolarHBondContact O-N 3.17Å; E646-W648 VanDerWaalsContact O-N 3.08Å
647	N	59.7	Low	65.1	Low	13 Å²	13	41.6 Å²	41.6	7%	0.07	23%	0.234	C	C	.	.			trans	-79.7	95.6	178.1	-166.2	3.1	0	0	0	111.8	Y23 S644 S649 S650	Y23-N647 HydrophobicContact CD1-CB 4.08Å; Y23-N647 HydrophobicContact CE1-CB 4.46Å; Y23-N647 PolarHBondContact N-ND2 2.88Å; S644-N647 PolarHBondContact O-N 3.39Å; N647-S649 VanDerWaalsContact C-N 3.31Å; N647-S649 PolarHBondContact O-N 3.12Å; N647-S649 WeakPolarHBondContact OD1-CB 3.38Å; N647-S649 PolarHBondContact OD1-N 3.45Å; N647-S650 WeakPolarHBondContact O-CA 3.27Å; N647-S650 WeakPolarHBondContact O-CB 3.3Å; N647-S650 PolarHBondContact O-N 3.41Å; N647-S650 PolarHBondContact O-OG 2.69Å
648	W	65.6	Low	65.4	Low	2 Å²	2	40.7 Å²	40.7	1%	0.008	23%	0.23	C	C	.	.	S	Bend	trans	-57.9	-41.7	179.6	-73.4	26.7	0	0	0	113.6	K594 E646 S650 R651 V653 V655 F670 I671 P672 P673	K594-W648 WeakPolarHBondContact O-CZ2 3.46Å; K594-W648 PolarHBondContact O-NE1 3.42Å; K594-W648 VanDerWaalsContact O-NE1 3.13Å; E646-W648 VanDerWaalsContact O-CD1 3.26Å; E646-W648 PolarHBondContact O-N 3.17Å; E646-W648 VanDerWaalsContact O-N 3.08Å; W648-S650 PolarHBondContact O-N 2.73Å; W648-S650 VanDerWaalsContact O-N 3.09Å; W648-R651 WeakPolarHBondContact O-CA 3.48Å; W648-R651 WeakPolarHBondContact O-CB 3.31Å; W648-R651 PolarHBondContact O-N 3.48Å; W648-V653 CarbonylContact C-O 3.36Å; W648-V653 HydrophobicContact CB-CB 4.15Å; W648-V653 HydrophobicContact CB-CG1 4.47Å; W648-V653 WeakPolarHBondContact CB-O 3.46Å; W648-V653 HydrophobicContact CD2-CG1 4.2Å; W648-V653 HydrophobicContact CE3-CB 4.47Å; W648-V653 HydrophobicContact CE3-CG1 3.63Å; W648-V653 HydrophobicContact CZ3-CG1 4.13Å; W648-V653 PolarHBondContact O-N 2.95Å; W648-V653 VanDerWaalsContact O-O 3.12Å; W648-V655 HydrophobicContact CD2-CG1 4.31Å; W648-V655 HydrophobicContact CE3-CB 4.36Å; W648-V655 HydrophobicContact CE3-CG1 3.71Å; W648-V655 HydrophobicContact CZ3-CB 4.36Å; W648-V655 HydrophobicContact CZ3-CG1 4.07Å; W648-F670 HydrophobicContact CD2-CD1 4.49Å; W648-F670 HydrophobicContact CG-CD1 4.48Å; W648-I671 WeakPolarHBondContact CH2-O 3.42Å; W648-P672 HydrophobicContact CH2-CB 4.37Å; W648-P672 VanDerWaalsContact CZ3-CA 3.41Å; W648-P672 HydrophobicContact CZ3-CB 3.79Å; W648-P672 HydrophobicContact CZ3-CG 4.02Å; W648-P673 HydrophobicContact CH2-CG 4.42Å
649	S	57.6	Low	65.7	Low	8 Å²	8	39 Å²	39	6%	0.056	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-50.1	-41.5	174.7	-56.5	0	0	0	0	109.8	K22 D533 N647 R651 D652 V653	K22-S649 WeakPolarHBondContact CD-O 3.49Å; K22-S649 WeakPolarHBondContact CE-O 3.45Å; K22-S649 WeakPolarHBondContact CG-O 3.02Å; K22-S649 PolarHBondContact NZ-O 3.35Å; K22-S649 VanDerWaalsContact NZ-O 3.11Å; D533-S649 WeakPolarHBondContact OD2-CB 3.48Å; D533-S649 PolarHBondContact OD2-OG 2.94Å; N647-S649 VanDerWaalsContact C-N 3.31Å; N647-S649 PolarHBondContact O-N 3.12Å; N647-S649 WeakPolarHBondContact OD1-CB 3.38Å; N647-S649 PolarHBondContact OD1-N 3.45Å; S649-R651 PolarHBondContact O-N 2.84Å; S649-D652 PolarHBondContact O-N 3.17Å; S649-V653 PolarHBondContact N-O 3.16Å
650	S	59.7	Low	66.6	Low	16 Å²	16	36.5 Å²	36.5	11%	0.112	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.9	-21.8	179.9	85.6	0	0	0	0	116.9	K22 Y23 N647 W648	K22-S650 VanDerWaalsContact NZ-C 3.32Å; K22-S650 PolarHBondContact NZ-O 3.41Å; Y23-S650 VanDerWaalsContact CE1-OG 3.27Å; Y23-S650 WeakPolarHBondContact CE1-OG 3.32Å; Y23-S650 WeakPolarHBondContact OH-CB 3.47Å; Y23-S650 PolarHBondContact OH-OG 2.76Å; N647-S650 WeakPolarHBondContact O-CA 3.27Å; N647-S650 WeakPolarHBondContact O-CB 3.3Å; N647-S650 PolarHBondContact O-N 3.41Å; N647-S650 PolarHBondContact O-OG 2.69Å; W648-S650 PolarHBondContact O-N 2.73Å; W648-S650 VanDerWaalsContact O-N 3.09Å
651	R	62.8	Low	67.6	Low	27 Å²	27	32.4 Å²	32.4	10%	0.102	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-100.1	10.3	-179.9	-61.7	-66	-153.8	-129.3	-11.7	113	P338 W648 S649 V653 L666 E668 F670	P338-R651 VanDerWaalsContact CD-NH1 3.3Å; P338-R651 VanDerWaalsContact CG-CZ 3.48Å; W648-R651 WeakPolarHBondContact O-CA 3.48Å; W648-R651 WeakPolarHBondContact O-CB 3.31Å; W648-R651 PolarHBondContact O-N 3.48Å; S649-R651 PolarHBondContact O-N 2.84Å; R651-V653 HydrophobicContact CB-CG2 3.91Å; R651-V653 PolarHBondContact O-N 3.1Å; R651-L666 VanDerWaalsContact NH1-CD1 3.31Å; R651-L666 VanDerWaalsContact NH2-CD1 3.32Å; R651-E668 IonicContact CZ-OE1 3.55Å; R651-E668 IonicContact CZ-OE2 2.95Å; R651-E668 IonicContact NE-OE1 3.6Å; R651-E668 IonicContact NE-OE2 2.77Å; R651-E668 PolarHBondContact NE-OE2 3.2Å; R651-E668 IonicContact NH2-OE1 3.51Å; R651-E668 PolarHBondContact NH2-OE1 3.42Å; R651-E668 IonicContact NH2-OE2 2.74Å; R651-E668 PolarHBondContact NH2-OE2 3.09Å; R651-E668 VanDerWaalsContact NH2-OE2 3.1Å; R651-F670 HydrophobicContact CB-CE1 4.08Å; R651-F670 HydrophobicContact CB-CE2 4.3Å; R651-F670 HydrophobicContact CB-CZ 3.71Å; R651-F670 HydrophobicContact CG-CE1 4.07Å; R651-F670 HydrophobicContact CG-CE2 4.49Å; R651-F670 HydrophobicContact CG-CZ 3.6Å
652	D	67.1	Low	68.9	Low	92 Å²	92	31.9 Å²	31.9	49%	0.492	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	31.2	-171	-61.3	-56.6	0	0	0	111.3	K22 L196 R198 S649	K22-D652 WeakPolarHBondContact CE-OD1 3.45Å; K22-D652 IonicContact NZ-OD1 3.61Å; K22-D652 PolarHBondContact NZ-OD1 3.34Å; K22-D652 IonicContact NZ-OD2 2.69Å; K22-D652 PolarHBondContact NZ-OD2 2.78Å; L196-D652 WeakPolarHBondContact CD2-O 3.29Å; R198-D652 PolarHBondContact NH2-O 3.13Å; S649-D652 PolarHBondContact O-N 3.17Å
653	V	71.8	Confident	70.4	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.142	C	C	.	.			trans	-111.3	129.5	177.7	-175.8	0	0	0	0	108.5	L196 W648 S649 R651 F670 P672	L196-V653 HydrophobicContact CD1-CG2 3.9Å; L196-V653 HydrophobicContact CD2-CB 4.47Å; L196-V653 HydrophobicContact CD2-CG2 3.43Å; L196-V653 VanDerWaalsContact CD2-CG2 3.43Å; L196-V653 HydrophobicContact CG-CG2 4.31Å; W648-V653 CarbonylContact C-O 3.36Å; W648-V653 HydrophobicContact CB-CB 4.15Å; W648-V653 HydrophobicContact CB-CG1 4.47Å; W648-V653 WeakPolarHBondContact CB-O 3.46Å; W648-V653 HydrophobicContact CD2-CG1 4.2Å; W648-V653 HydrophobicContact CE3-CB 4.47Å; W648-V653 HydrophobicContact CE3-CG1 3.63Å; W648-V653 HydrophobicContact CZ3-CG1 4.13Å; W648-V653 PolarHBondContact O-N 2.95Å; W648-V653 VanDerWaalsContact O-O 3.12Å; S649-V653 PolarHBondContact N-O 3.16Å; R651-V653 HydrophobicContact CB-CG2 3.91Å; R651-V653 PolarHBondContact O-N 3.1Å; V653-F670 HydrophobicContact CB-CD1 4.14Å; V653-F670 HydrophobicContact CB-CG 4.35Å; V653-F670 HydrophobicContact CG1-CB 3.92Å; V653-F670 HydrophobicContact CG1-CD1 4.06Å; V653-F670 HydrophobicContact CG1-CG 4.12Å; V653-F670 HydrophobicContact CG2-CB 4.12Å; V653-F670 HydrophobicContact CG2-CD1 3.71Å; V653-F670 HydrophobicContact CG2-CD2 3.82Å; V653-F670 HydrophobicContact CG2-CE1 4.06Å; V653-F670 HydrophobicContact CG2-CE2 4.19Å; V653-F670 HydrophobicContact CG2-CG 3.59Å; V653-F670 HydrophobicContact CG2-CZ 4.32Å; V653-P672 HydrophobicContact CG1-CG 3.99Å
654	M	77.8	Confident	71.8	Confident	58 Å²	58	25 Å²	25	29%	0.286	13%	0.128	S	C	.	.			trans	-103.5	146	177.3	-49.1	173.2	-165.1	0	0	109.2	H529 Y656 D657	H529-M654 PolarHBondContact CE1-SD 2.67Å; H529-M654 WeakPolarHBondContact NE2-CE 3.49Å; H529-M654 PolarHBondContact NE2-SD 3.04Å; H529-M654 VanDerWaalsContact NE2-SD 3.41Å; M654-Y656 HydrophobicContact CB-CD1 4.39Å; M654-Y656 HydrophobicContact CB-CE1 4.17Å; M654-Y656 HydrophobicContact CB-CE2 4.31Å; M654-Y656 PolarHBondContact O-N 3.14Å; M654-Y656 HydrophobicContact SD-CE2 3.79Å; M654-Y656 PolarHBondContact SD-OH 3.06Å; M654-D657 HydrophobicContact CB-CB 4.2Å; M654-D657 VanDerWaalsContact O-CB 3.3Å; M654-D657 WeakPolarHBondContact O-CB 3.33Å; M654-D657 PolarHBondContact O-N 3.1Å
655	V	83.8	Confident	73.2	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.024	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.1	179.2	-61.3	0	0	0	0	112.9	Y540 V595 M599 W648 P673 G674	Y540-V655 HydrophobicContact CD1-CG2 4.46Å; V595-V655 HydrophobicContact CG1-CG1 4.16Å; V595-V655 HydrophobicContact CG2-CG1 4.29Å; M599-V655 HydrophobicContact CE-CG1 4.06Å; M599-V655 HydrophobicContact SD-CG1 3.67Å; M599-V655 HydrophobicContact SD-CG2 4.24Å; W648-V655 HydrophobicContact CD2-CG1 4.31Å; W648-V655 HydrophobicContact CE3-CB 4.36Å; W648-V655 HydrophobicContact CE3-CG1 3.71Å; W648-V655 HydrophobicContact CZ3-CB 4.36Å; W648-V655 HydrophobicContact CZ3-CG1 4.07Å; V655-P673 HydrophobicContact CB-CG 4.23Å; V655-P673 CarbonylContact O-C 3.51Å; V655-P673 VanDerWaalsContact O-CB 3.28Å; V655-P673 WeakPolarHBondContact O-CB 3.17Å; V655-P673 VanDerWaalsContact O-CD 3.23Å; V655-P673 WeakPolarHBondContact O-CD 3.34Å; V655-G674 PolarHBondContact O-N 2.68Å
656	Y	84.4	Confident	74.9	Confident	5 Å²	5	21.1 Å²	21.1	2%	0.02	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	6.6	179.7	60.1	-100.3	0	0	0	113.2	N211 V212 I215 F525 H529 L536 M654	N211-Y656 PolarHBondContact ND2-O 3.43Å; V212-Y656 HydrophobicContact CG2-CD2 4.43Å; V212-Y656 HydrophobicContact CG2-CE2 4.13Å; I215-Y656 HydrophobicContact CD1-CD1 3.55Å; I215-Y656 HydrophobicContact CD1-CD2 3.99Å; I215-Y656 HydrophobicContact CD1-CE1 4.04Å; I215-Y656 HydrophobicContact CD1-CE2 4.42Å; I215-Y656 HydrophobicContact CD1-CG 3.52Å; F525-Y656 HydrophobicContact CZ-CE2 4.22Å; H529-Y656 PolarHBondContact CE1-OH 2.77Å; H529-Y656 VanDerWaalsContact CE1-OH 3.26Å; H529-Y656 AromaticContact ND1-CZ 3.87Å; H529-Y656 PolarHBondContact ND1-OH 3.35Å; L536-Y656 HydrophobicContact CB-CE1 4.27Å; M654-Y656 HydrophobicContact CB-CD1 4.39Å; M654-Y656 HydrophobicContact CB-CE1 4.17Å; M654-Y656 HydrophobicContact CB-CE2 4.31Å; M654-Y656 PolarHBondContact O-N 3.14Å; M654-Y656 HydrophobicContact SD-CE2 3.79Å; M654-Y656 PolarHBondContact SD-OH 3.06Å
657	D	82.9	Confident	76.6	Confident	8 Å²	8	17.6 Å²	17.6	4%	0.043	9%	0.091	C	C	.	.			trans	-61.7	145	168.9	-166.1	-19.1	0	0	0	109.1	R198 M654 H659 P672 G674 M675	R198-D657 IonicContact CZ-OD2 3.3Å; R198-D657 IonicContact NE-OD2 3.87Å; R198-D657 PolarHBondContact NE-OD2 2.98Å; R198-D657 IonicContact NH2-OD2 3.75Å; R198-D657 PolarHBondContact NH2-OD2 3.45Å; M654-D657 HydrophobicContact CB-CB 4.2Å; M654-D657 VanDerWaalsContact O-CB 3.3Å; M654-D657 WeakPolarHBondContact O-CB 3.33Å; M654-D657 PolarHBondContact O-N 3.1Å; D657-H659 IonicContact OD1-CE1 3.85Å; D657-H659 IonicContact OD1-CG 2.82Å; D657-H659 PolarHBondContact OD1-N 3.34Å; D657-H659 VanDerWaalsContact OD1-N 3.17Å; D657-H659 IonicContact OD1-ND1 3.88Å; D657-H659 PolarHBondContact OD1-ND1 2.69Å; D657-P672 HydrophobicContact CB-CB 4.15Å; D657-P672 HydrophobicContact CB-CG 4.05Å; D657-P672 WeakPolarHBondContact O-CB 3.4Å; D657-G674 CarbonylContact O-C 3.33Å; D657-G674 VanDerWaalsContact O-C 3.22Å; D657-G674 WeakPolarHBondContact O-CA 3.33Å; D657-M675 PolarHBondContact O-N 3.24Å
658	S	84.3	Confident	78	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.			trans	-98	8.2	179.3	61.6	0	0	0	0	114.1	I204 T208 M675	I204-S658 PolarHBondContact O-OG 2.94Å; T208-S658 PolarHBondContact N-OG 3.09Å; T208-S658 VanDerWaalsContact N-OG 3.16Å; T208-S658 WeakPolarHBondContact OG1-CB 3.39Å; T208-S658 PolarHBondContact OG1-N 3.02Å; T208-S658 PolarHBondContact OG1-OG 3.43Å; S658-M675 VanDerWaalsContact O-CG 3.23Å; S658-M675 WeakPolarHBondContact O-CG 3.38Å; S658-M675 VanDerWaalsContact O-SD 3.33Å
659	H	84.9	Confident	79.2	Confident	5 Å²	5	17.2 Å²	17.2	2%	0.023	9%	0.089	C	C	.	.	S	Bend	trans	-114.4	135.7	-173.7	-53.9	86.9	0	0	0	112.9	R198 F199 D200 D657 A661 P672	R198-H659 HydrophobicContact CB-CB 3.97Å; R198-H659 HydrophobicContact CG-CB 4.24Å; F199-H659 PolarHBondContact O-CD2 2.98Å; D200-H659 IonicContact OD1-CD2 2.63Å; D200-H659 IonicContact OD1-NE2 3.81Å; D200-H659 PolarHBondContact OD1-NE2 2.69Å; D200-H659 IonicContact OD2-NE2 3.56Å; D657-H659 IonicContact OD1-CE1 3.85Å; D657-H659 IonicContact OD1-CG 2.82Å; D657-H659 PolarHBondContact OD1-N 3.34Å; D657-H659 VanDerWaalsContact OD1-N 3.17Å; D657-H659 IonicContact OD1-ND1 3.88Å; D657-H659 PolarHBondContact OD1-ND1 2.69Å; H659-A661 PolarHBondContact O-N 3.5Å; H659-P672 WeakPolarHBondContact O-CD 3.46Å; H659-P672 WeakPolarHBondContact O-CG 3.38Å
660	V	89.9	Confident	80.8	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.4	161.7	177.7	0	0	0	0	107.3	R198 F199 V669 F670 M675 L694 L697 I698 A701	R198-V660 CarbonylContact C-O 3.52Å; F199-V660 HydrophobicContact CD2-CB 4.1Å; F199-V660 HydrophobicContact CD2-CG1 3.97Å; F199-V660 VanDerWaalsContact CD2-O 3.27Å; F199-V660 WeakPolarHBondContact CD2-O 3.42Å; F199-V660 PolarHBondContact N-O 3.37Å; V660-V669 HydrophobicContact CG1-CG1 3.84Å; V660-F670 WeakPolarHBondContact CA-O 3.24Å; V660-F670 WeakPolarHBondContact CG1-O 3.28Å; V660-M675 HydrophobicContact CB-SD 4.32Å; V660-M675 HydrophobicContact CG2-CE 3.84Å; V660-M675 HydrophobicContact CG2-SD 3.44Å; V660-M675 WeakPolarHBondContact CG2-SD 3.32Å; V660-M675 PolarHBondContact N-SD 3.23Å; V660-L694 HydrophobicContact CG2-CD1 4.42Å; V660-L697 HydrophobicContact CG2-CB 3.95Å; V660-I698 HydrophobicContact CG2-CG1 4.33Å; V660-A701 HydrophobicContact CG1-CB 3.71Å
661	A	86.2	Confident	82.4	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.9	-177.8	0	0	0	0	0	112.6	L196 L197 R198 H659 V669 F670	L196-A661 HydrophobicContact CD1-CB 3.67Å; L196-A661 HydrophobicContact CD2-CB 3.65Å; L196-A661 HydrophobicContact CG-CB 3.63Å; L197-A661 CarbonylContact O-C 3.57Å; L197-A661 WeakPolarHBondContact O-CA 3.44Å; R198-A661 HydrophobicContact CG-CB 4.23Å; H659-A661 PolarHBondContact O-N 3.5Å; A661-V669 CarbonylContact O-C 3.41Å; A661-V669 WeakPolarHBondContact O-CA 3.39Å; A661-F670 HydrophobicContact CB-CB 4.18Å; A661-F670 PolarHBondContact N-O 2.82Å; A661-F670 PolarHBondContact O-N 3.1Å
662	L	86.3	Confident	83.6	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.4	-177.6	169.9	67.6	0	0	0	110.6	L197 F199 L664 V669 I704 L705	L197-L662 HydrophobicContact CB-CB 4.3Å; L197-L662 HydrophobicContact CD1-CD2 4.25Å; L197-L662 PolarHBondContact N-O 3.24Å; L197-L662 PolarHBondContact O-N 3.39Å; F199-L662 HydrophobicContact CE2-CB 3.59Å; F199-L662 HydrophobicContact CZ-CB 3.82Å; F199-L662 HydrophobicContact CZ-CD2 4.05Å; L662-L664 HydrophobicContact CD2-CD1 4.11Å; L662-V669 HydrophobicContact CD1-CG2 3.89Å; L662-I704 HydrophobicContact CD2-CB 4.05Å; L662-I704 HydrophobicContact CD2-CG2 3.59Å; L662-L705 HydrophobicContact CD1-CB 4.13Å; L662-L705 HydrophobicContact CD1-CD1 4.14Å; L662-L705 HydrophobicContact CD1-CG 4.48Å; L662-L705 HydrophobicContact CD2-CB 4.37Å
663	H	82.8	Confident	84.6	Confident	20 Å²	20	10.6 Å²	10.6	9%	0.093	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	88	168.9	-167.1	-56.8	0	0	0	110	R194 L196 L665 L666 D667 E668 F670	R194-H663 PolarHBondContact O-NE2 3.39Å; L196-H663 HydrophobicContact CD1-CB 4.22Å; H663-L665 VanDerWaalsContact C-N 3.28Å; H663-L665 PolarHBondContact O-N 3.2Å; H663-L665 VanDerWaalsContact O-N 3.11Å; H663-L666 WeakPolarHBondContact CE1-CD1 3.26Å; H663-L666 VanDerWaalsContact CE1-CG 3.45Å; H663-L666 WeakPolarHBondContact CE1-CG 3.43Å; H663-L666 WeakPolarHBondContact ND1-CG 3.33Å; H663-L666 PolarHBondContact ND1-N 2.68Å; H663-L666 PolarHBondContact O-N 2.9Å; H663-D667 PolarHBondContact O-N 3.09Å; H663-D667 VanDerWaalsContact O-N 3.17Å; H663-E668 HydrophobicContact CB-CB 4.31Å; H663-E668 PolarHBondContact N-O 2.99Å; H663-E668 PolarHBondContact O-N 3.22Å; H663-F670 HydrophobicContact CB-CE2 4.15Å
664	L	80.1	Confident	85.4	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.6	-170.2	-167.3	72.5	0	0	0	114.6	Y187 F188 R585 L662 L666 L705	Y187-L664 HydrophobicContact CE1-CD2 3.87Å; F188-L664 HydrophobicContact CE1-CD2 4.26Å; F188-L664 HydrophobicContact CE2-CD2 4.01Å; F188-L664 HydrophobicContact CZ-CD2 3.48Å; F188-L664 VanDerWaalsContact CZ-CD2 3.48Å; F188-L664 HydrophobicContact CZ-CG 4.28Å; R585-L664 PolarHBondContact NH2-O 3.38Å; L662-L664 HydrophobicContact CD2-CD1 4.11Å; L664-L666 VanDerWaalsContact C-N 3.31Å; L664-L666 PolarHBondContact O-N 2.6Å; L664-L705 HydrophobicContact CD1-CD1 3.93Å
665	L	75.1	Confident	85.9	Confident	37 Å²	37	7.8 Å²	7.8	19%	0.194	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.6	-179.8	-75.2	174.8	0	0	0	114.8	F188 S193 R194 H663 L714	F188-L665 HydrophobicContact CD1-CD2 4.07Å; F188-L665 HydrophobicContact CE1-CD2 3.78Å; S193-L665 WeakPolarHBondContact O-CD1 3.21Å; S193-L665 VanDerWaalsContact O-CG 3.32Å; S193-L665 WeakPolarHBondContact O-CG 3.43Å; R194-L665 HydrophobicContact CB-CD1 4.29Å; R194-L665 HydrophobicContact CG-CD1 3.46Å; R194-L665 VanDerWaalsContact CG-CD1 3.46Å; H663-L665 VanDerWaalsContact C-N 3.28Å; H663-L665 PolarHBondContact O-N 3.2Å; H663-L665 VanDerWaalsContact O-N 3.11Å; L665-L714 HydrophobicContact CD2-CB 3.58Å; L665-L714 HydrophobicContact CD2-CD2 4.49Å
666	L	78.2	Confident	86.3	Confident	49 Å²	49	8.2 Å²	8.2	26%	0.257	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-1.1	-175.3	-64.7	173.7	0	0	0	111.9	R651 H663 L664 E668	R651-L666 VanDerWaalsContact NH1-CD1 3.31Å; R651-L666 VanDerWaalsContact NH2-CD1 3.32Å; H663-L666 WeakPolarHBondContact CE1-CD1 3.26Å; H663-L666 VanDerWaalsContact CE1-CG 3.45Å; H663-L666 WeakPolarHBondContact CE1-CG 3.43Å; H663-L666 WeakPolarHBondContact ND1-CG 3.33Å; H663-L666 PolarHBondContact ND1-N 2.68Å; H663-L666 PolarHBondContact O-N 2.9Å; L664-L666 VanDerWaalsContact C-N 3.31Å; L664-L666 PolarHBondContact O-N 2.6Å; L666-E668 HydrophobicContact CB-CB 4.42Å; L666-E668 HydrophobicContact CB-CG 4.02Å; L666-E668 PolarHBondContact O-N 3.42Å
667	D	87.1	Confident	86.6	Confident	24 Å²	24	10 Å²	10	13%	0.128	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.2	-175.7	-52.1	-32.8	0	0	0	111.8	R585 M589 K590 H663 L705	R585-D667 IonicContact CZ-OD1 3.92Å; R585-D667 IonicContact NE-OD1 3.79Å; R585-D667 PolarHBondContact NE-OD1 3.02Å; R585-D667 IonicContact NE-OD2 3.68Å; R585-D667 IonicContact NH2-OD1 3.39Å; R585-D667 PolarHBondContact NH2-OD1 3.31Å; M589-D667 CarbonylContact C-O 3.58Å; M589-D667 WeakPolarHBondContact CA-O 3.46Å; M589-D667 HydrophobicContact CB-CB 4.46Å; M589-D667 WeakPolarHBondContact CG-O 3.33Å; K590-D667 PolarHBondContact N-O 2.95Å; H663-D667 PolarHBondContact O-N 3.09Å; H663-D667 VanDerWaalsContact O-N 3.17Å; D667-L705 HydrophobicContact CB-CD1 4.25Å; D667-L705 HydrophobicContact CB-CD2 4.28Å; D667-L705 WeakPolarHBondContact OD1-CD1 3.48Å
668	E	89.1	Confident	87	Confident	8 Å²	8	11.7 Å²	11.7	4%	0.037	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.6	-177.7	-73.4	169.3	-178.2	0	0	110.5	K590 L592 R651 H663 L666 F670	K590-E668 HydrophobicContact CB-CG 4.14Å; K590-E668 CarbonylContact O-C 3.6Å; K590-E668 WeakPolarHBondContact O-CA 3.25Å; L592-E668 HydrophobicContact CD1-CB 4.28Å; L592-E668 HydrophobicContact CD1-CG 4.14Å; R651-E668 IonicContact CZ-OE1 3.55Å; R651-E668 IonicContact CZ-OE2 2.95Å; R651-E668 IonicContact NE-OE1 3.6Å; R651-E668 IonicContact NE-OE2 2.77Å; R651-E668 PolarHBondContact NE-OE2 3.2Å; R651-E668 IonicContact NH2-OE1 3.51Å; R651-E668 PolarHBondContact NH2-OE1 3.42Å; R651-E668 IonicContact NH2-OE2 2.74Å; R651-E668 PolarHBondContact NH2-OE2 3.09Å; R651-E668 VanDerWaalsContact NH2-OE2 3.1Å; H663-E668 HydrophobicContact CB-CB 4.31Å; H663-E668 PolarHBondContact N-O 2.99Å; H663-E668 PolarHBondContact O-N 3.22Å; L666-E668 HydrophobicContact CB-CB 4.42Å; L666-E668 HydrophobicContact CB-CG 4.02Å; L666-E668 PolarHBondContact O-N 3.42Å; E668-F670 HydrophobicContact CB-CE2 3.68Å; E668-F670 HydrophobicContact CB-CZ 3.96Å; E668-F670 WeakPolarHBondContact OE2-CZ 3.32Å
669	V	92	Very high	87.3	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.9	169.9	178.9	0	0	0	0	108.3	M589 K590 I591 L592 V660 A661 L662 A701 I702	M589-V669 HydrophobicContact SD-CG2 4.16Å; K590-V669 PolarHBondContact O-N 3.27Å; I591-V669 CarbonylContact C-O 3.37Å; I591-V669 WeakPolarHBondContact CA-O 3.39Å; I591-V669 HydrophobicContact CG1-CB 4.32Å; I591-V669 HydrophobicContact CG2-CB 4.45Å; L592-V669 PolarHBondContact N-O 3.22Å; V660-V669 HydrophobicContact CG1-CG1 3.84Å; A661-V669 CarbonylContact O-C 3.41Å; A661-V669 WeakPolarHBondContact O-CA 3.39Å; L662-V669 HydrophobicContact CD1-CG2 3.89Å; V669-A701 HydrophobicContact CG1-CB 4Å; V669-A701 HydrophobicContact CG2-CB 4.44Å; V669-I702 HydrophobicContact CG2-CG1 4.33Å
670	F	90.9	Very high	87.6	Confident	1 Å²	1	13 Å²	13	0%	0.004	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.3	177.8	-60.8	-95.9	0	0	0	109.9	L196 L592 W648 R651 V653 V660 A661 H663 E668	L196-F670 HydrophobicContact CD1-CD2 3.92Å; L196-F670 HydrophobicContact CD1-CE2 4.11Å; L592-F670 HydrophobicContact CB-CD1 3.93Å; L592-F670 HydrophobicContact CB-CE1 4.18Å; L592-F670 HydrophobicContact CD1-CD1 3.92Å; L592-F670 HydrophobicContact CD1-CE1 3.3Å; L592-F670 HydrophobicContact CD1-CE2 4.43Å; L592-F670 HydrophobicContact CD1-CZ 3.57Å; L592-F670 HydrophobicContact CG-CE1 4.37Å; L592-F670 CarbonylContact O-C 3.08Å; L592-F670 WeakPolarHBondContact O-CA 3.3Å; W648-F670 HydrophobicContact CD2-CD1 4.49Å; W648-F670 HydrophobicContact CG-CD1 4.48Å; R651-F670 HydrophobicContact CB-CE1 4.08Å; R651-F670 HydrophobicContact CB-CE2 4.3Å; R651-F670 HydrophobicContact CB-CZ 3.71Å; R651-F670 HydrophobicContact CG-CE1 4.07Å; R651-F670 HydrophobicContact CG-CE2 4.49Å; R651-F670 HydrophobicContact CG-CZ 3.6Å; V653-F670 HydrophobicContact CB-CD1 4.14Å; V653-F670 HydrophobicContact CB-CG 4.35Å; V653-F670 HydrophobicContact CG1-CB 3.92Å; V653-F670 HydrophobicContact CG1-CD1 4.06Å; V653-F670 HydrophobicContact CG1-CG 4.12Å; V653-F670 HydrophobicContact CG2-CB 4.12Å; V653-F670 HydrophobicContact CG2-CD1 3.71Å; V653-F670 HydrophobicContact CG2-CD2 3.82Å; V653-F670 HydrophobicContact CG2-CE1 4.06Å; V653-F670 HydrophobicContact CG2-CE2 4.19Å; V653-F670 HydrophobicContact CG2-CG 3.59Å; V653-F670 HydrophobicContact CG2-CZ 4.32Å; V660-F670 WeakPolarHBondContact CA-O 3.24Å; V660-F670 WeakPolarHBondContact CG1-O 3.28Å; A661-F670 HydrophobicContact CB-CB 4.18Å; A661-F670 PolarHBondContact N-O 2.82Å; A661-F670 PolarHBondContact O-N 3.1Å; H663-F670 HydrophobicContact CB-CE2 4.15Å; E668-F670 HydrophobicContact CB-CE2 3.68Å; E668-F670 HydrophobicContact CB-CZ 3.96Å; E668-F670 WeakPolarHBondContact OE2-CZ 3.32Å
671	I	92.5	Very high	87.7	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.			trans	-123.6	91.9	175.3	-54.4	161.8	0	0	0	107.7	V553 T557 I591 L592 F593 W648 L676 L694 I698	V553-I671 HydrophobicContact CG1-CD1 4.05Å; T557-I671 HydrophobicContact CG2-CD1 3.82Å; I591-I671 HydrophobicContact CG2-CD1 3.49Å; I591-I671 VanDerWaalsContact CG2-CD1 3.49Å; I591-I671 HydrophobicContact CG2-CG1 4.25Å; L592-I671 PolarHBondContact O-N 3.31Å; F593-I671 HydrophobicContact CB-CB 4.01Å; F593-I671 HydrophobicContact CB-CD1 4.44Å; W648-I671 WeakPolarHBondContact CH2-O 3.42Å; I671-L676 HydrophobicContact CG2-CD2 3.85Å; I671-L694 HydrophobicContact CG2-CD1 3.91Å; I671-I698 HydrophobicContact CD1-CD1 3.39Å; I671-I698 HydrophobicContact CD1-CG1 3.68Å; I671-I698 HydrophobicContact CD1-CG2 4.34Å; I671-I698 HydrophobicContact CG1-CD1 4.15Å; I671-I698 HydrophobicContact CG1-CG1 3.97Å
672	P	88.5	Confident	88	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.			trans	-63.6	139.2	-177.3	-27.6	38.8	0	0	0	116.3	W648 V653 D657 H659 G674 M675	W648-P672 HydrophobicContact CH2-CB 4.37Å; W648-P672 VanDerWaalsContact CZ3-CA 3.41Å; W648-P672 HydrophobicContact CZ3-CB 3.79Å; W648-P672 HydrophobicContact CZ3-CG 4.02Å; V653-P672 HydrophobicContact CG1-CG 3.99Å; D657-P672 HydrophobicContact CB-CB 4.15Å; D657-P672 HydrophobicContact CB-CG 4.05Å; D657-P672 WeakPolarHBondContact O-CB 3.4Å; H659-P672 WeakPolarHBondContact O-CD 3.46Å; H659-P672 WeakPolarHBondContact O-CG 3.38Å; P672-G674 PolarHBondContact O-N 3.18Å; P672-G674 VanDerWaalsContact O-N 3.12Å; P672-M675 VanDerWaalsContact O-CB 3.31Å; P672-M675 WeakPolarHBondContact O-CB 3.37Å; P672-M675 PolarHBondContact O-N 2.67Å
673	P	88.7	Confident	88.1	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.013	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-46.7	-35	166.1	-35.1	36.6	0	0	0	114.8	Y540 M545 V595 W648 V655 M675 L676	Y540-P673 HydrophobicContact CD1-CB 4.4Å; Y540-P673 HydrophobicContact CE1-CB 3.87Å; M545-P673 HydrophobicContact CG-CB 3.74Å; M545-P673 HydrophobicContact CG-CG 3.93Å; M545-P673 HydrophobicContact SD-CB 3.41Å; M545-P673 WeakPolarHBondContact SD-CB 3.21Å; M545-P673 HydrophobicContact SD-CG 3.64Å; V595-P673 HydrophobicContact CG2-CG 3.46Å; V595-P673 VanDerWaalsContact CG2-CG 3.46Å; W648-P673 HydrophobicContact CH2-CG 4.42Å; V655-P673 HydrophobicContact CB-CG 4.23Å; V655-P673 CarbonylContact O-C 3.51Å; V655-P673 VanDerWaalsContact O-CB 3.28Å; V655-P673 WeakPolarHBondContact O-CB 3.17Å; V655-P673 VanDerWaalsContact O-CD 3.23Å; V655-P673 WeakPolarHBondContact O-CD 3.34Å; P673-M675 PolarHBondContact O-N 3.37Å; P673-M675 VanDerWaalsContact O-N 3.12Å; P673-L676 PolarHBondContact O-N 2.82Å
674	G	88	Confident	88.3	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.3	-21	175.6	0	0	0	0	0	114.3	N211 Y540 V655 D657 P672 Q677	N211-G674 VanDerWaalsContact ND2-CA 3.34Å; N211-G674 WeakPolarHBondContact ND2-CA 3.46Å; N211-G674 PolarHBondContact ND2-O 3.04Å; Y540-G674 WeakPolarHBondContact OH-CA 3.44Å; V655-G674 PolarHBondContact O-N 2.68Å; D657-G674 CarbonylContact O-C 3.33Å; D657-G674 VanDerWaalsContact O-C 3.22Å; D657-G674 WeakPolarHBondContact O-CA 3.33Å; P672-G674 PolarHBondContact O-N 3.18Å; P672-G674 VanDerWaalsContact O-N 3.12Å; G674-Q677 PolarHBondContact O-NE2 2.89Å
675	M	89	Confident	88.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-95.9	-16.4	176.7	-169.6	171.9	-168.9	0	0	113.5	I204 D657 S658 V660 P672 P673 Q677 I680 L694 L697	I204-M675 HydrophobicContact CD1-CE 3.82Å; D657-M675 PolarHBondContact O-N 3.24Å; S658-M675 VanDerWaalsContact O-CG 3.23Å; S658-M675 WeakPolarHBondContact O-CG 3.38Å; S658-M675 VanDerWaalsContact O-SD 3.33Å; V660-M675 HydrophobicContact CB-SD 4.32Å; V660-M675 HydrophobicContact CG2-CE 3.84Å; V660-M675 HydrophobicContact CG2-SD 3.44Å; V660-M675 WeakPolarHBondContact CG2-SD 3.32Å; V660-M675 PolarHBondContact N-SD 3.23Å; P672-M675 VanDerWaalsContact O-CB 3.31Å; P672-M675 WeakPolarHBondContact O-CB 3.37Å; P672-M675 PolarHBondContact O-N 2.67Å; P673-M675 PolarHBondContact O-N 3.37Å; P673-M675 VanDerWaalsContact O-N 3.12Å; M675-Q677 PolarHBondContact O-N 2.91Å; M675-I680 HydrophobicContact CE-CG2 4.07Å; M675-I680 HydrophobicContact CG-CG2 4.43Å; M675-L694 HydrophobicContact CE-CD1 4.42Å; M675-L694 HydrophobicContact CG-CD1 4.45Å; M675-L694 HydrophobicContact SD-CD1 4.2Å; M675-L697 HydrophobicContact CE-CB 4.08Å; M675-L697 HydrophobicContact CE-CD1 3.18Å; M675-L697 HydrophobicContact CE-CD2 4.36Å; M675-L697 HydrophobicContact CE-CG 4.02Å
676	L	92.2	Very high	89.5	Confident	13 Å²	13	15.3 Å²	15.3	7%	0.068	8%	0.079	C	C	.	.	S	Bend	trans	-81.6	49.4	-173.4	-57.4	-178.5	0	0	0	112.1	M545 T549 V553 I671 P673 F681 L694	M545-L676 HydrophobicContact CE-CD1 4.5Å; M545-L676 HydrophobicContact SD-CD1 4.26Å; T549-L676 HydrophobicContact CG2-CB 3.85Å; T549-L676 HydrophobicContact CG2-CD1 3.52Å; T549-L676 HydrophobicContact CG2-CG 4.24Å; V553-L676 HydrophobicContact CG2-CD1 4.08Å; V553-L676 HydrophobicContact CG2-CD2 3.78Å; I671-L676 HydrophobicContact CG2-CD2 3.85Å; P673-L676 PolarHBondContact O-N 2.82Å; L676-F681 HydrophobicContact CB-CD1 4.01Å; L676-F681 HydrophobicContact CD2-CD1 4.3Å; L676-F681 HydrophobicContact CD2-CG 4.44Å; L676-L694 HydrophobicContact CD2-CD1 4.28Å; L676-L694 HydrophobicContact CD2-CD2 3.43Å; L676-L694 VanDerWaalsContact CD2-CD2 3.43Å
677	Q	90.1	Very high	90.2	Very high	43 Å²	43	13 Å²	13	20%	0.201	7%	0.067	C	C	.	.	S	Bend	trans	-145.7	171.6	-178.4	64.8	-178	-47.3	0	0	111.5	N211 G674 M675 I680 F681	N211-Q677 PolarHBondContact ND2-NE2 3.34Å; N211-Q677 PolarHBondContact OD1-NE2 3.06Å; G674-Q677 PolarHBondContact O-NE2 2.89Å; M675-Q677 PolarHBondContact O-N 2.91Å; Q677-I680 PolarHBondContact O-N 3.46Å; Q677-F681 CarbonylContact C-O 3.38Å; Q677-F681 WeakPolarHBondContact CA-O 3.26Å; Q677-F681 PolarHBondContact N-O 3Å; Q677-F681 PolarHBondContact O-N 3.08Å
678	L	90.7	Very high	90.5	Very high	44 Å²	44	11.9 Å²	11.9	23%	0.23	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	144.2	174.1	-63.8	178.6	0	0	0	110.2	E124 I127 S128 F681 H682 L685 F689	E124-L678 HydrophobicContact CB-CD1 4.42Å; I127-L678 HydrophobicContact CB-CD1 4.47Å; I127-L678 HydrophobicContact CG2-CD1 4.03Å; S128-L678 VanDerWaalsContact OG-CD2 3.31Å; S128-L678 WeakPolarHBondContact OG-CD2 3.39Å; L678-F681 PolarHBondContact N-O 3.31Å; L678-H682 HydrophobicContact CD2-CB 4Å; L678-H682 HydrophobicContact CG-CB 4.49Å; L678-L685 HydrophobicContact CD2-CD1 3.54Å; L678-F689 HydrophobicContact CD2-CZ 4.46Å
679	P	90.4	Very high	90.7	Very high	31 Å²	31	11.8 Å²	11.8	20%	0.201	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.4	9.8	5.7	35.5	-35	0	0	0	114.9	M203 F689	M203-P679 HydrophobicContact CE-CB 3.44Å; M203-P679 VanDerWaalsContact CE-CB 3.44Å; M203-P679 HydrophobicContact CE-CG 3.65Å; M203-P679 HydrophobicContact CG-CG 3.7Å; M203-P679 HydrophobicContact SD-CB 3.83Å; M203-P679 HydrophobicContact SD-CG 3.59Å; M203-P679 VanDerWaalsContact SD-CG 3.59Å; P679-F689 VanDerWaalsContact O-CE1 3.28Å; P679-F689 WeakPolarHBondContact O-CE1 3.46Å; P679-F689 WeakPolarHBondContact O-CZ 3.44Å
680	I	91.4	Very high	90.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-36.3	-173	-68.6	-53.2	0	0	0	113.7	I204 M675 Q677 L694 L697 T819	I204-I680 HydrophobicContact CG2-CD1 3.68Å; I204-I680 HydrophobicContact CG2-CG1 3.16Å; M675-I680 HydrophobicContact CE-CG2 4.07Å; M675-I680 HydrophobicContact CG-CG2 4.43Å; Q677-I680 PolarHBondContact O-N 3.46Å; I680-L694 HydrophobicContact CG2-CB 3.84Å; I680-L694 HydrophobicContact CG2-CD1 4.37Å; I680-L694 PolarHBondContact O-N 3.16Å; I680-L697 HydrophobicContact CD1-CD1 4.13Å; I680-L697 HydrophobicContact CG1-CD1 4.45Å; I680-L697 HydrophobicContact CG2-CD1 4.02Å; I680-T819 HydrophobicContact CD1-CG2 3.42Å; I680-T819 VanDerWaalsContact CD1-CG2 3.42Å
681	F	93.5	Very high	91.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.			trans	-151.6	142.4	-175	176.7	-91.5	0	0	0	111	T549 E552 V553 M556 L676 Q677 L678 H683 N690 L694	T549-F681 HydrophobicContact CG2-CD1 4.48Å; T549-F681 HydrophobicContact CG2-CE1 3.73Å; T549-F681 HydrophobicContact CG2-CZ 4.44Å; E552-F681 HydrophobicContact CB-CZ 4.28Å; E552-F681 HydrophobicContact CG-CE2 4.24Å; E552-F681 HydrophobicContact CG-CZ 4.17Å; V553-F681 HydrophobicContact CG2-CE2 4.38Å; V553-F681 HydrophobicContact CG2-CZ 4.22Å; M556-F681 HydrophobicContact CE-CD2 4.41Å; M556-F681 HydrophobicContact CE-CE2 4.29Å; L676-F681 HydrophobicContact CB-CD1 4.01Å; L676-F681 HydrophobicContact CD2-CD1 4.3Å; L676-F681 HydrophobicContact CD2-CG 4.44Å; Q677-F681 CarbonylContact C-O 3.38Å; Q677-F681 WeakPolarHBondContact CA-O 3.26Å; Q677-F681 PolarHBondContact N-O 3Å; Q677-F681 PolarHBondContact O-N 3.08Å; L678-F681 PolarHBondContact N-O 3.31Å; F681-H683 HydrophobicContact CE1-CB 4.44Å; F681-N690 HydrophobicContact CD2-CB 3.8Å; F681-N690 VanDerWaalsContact CD2-CG 3.49Å; F681-N690 HydrophobicContact CE2-CB 4Å; F681-L694 HydrophobicContact CB-CB 4.09Å; F681-L694 HydrophobicContact CB-CD2 4.14Å; F681-L694 HydrophobicContact CD2-CB 4.24Å; F681-L694 HydrophobicContact CD2-CD2 3.64Å; F681-L694 HydrophobicContact CE2-CD2 4.28Å; F681-L694 HydrophobicContact CG-CD2 3.94Å
682	H	92.3	Very high	91.3	Very high	33 Å²	33	11.9 Å²	11.9	15%	0.153	6%	0.062	C	C	.	.			trans	-153.9	139	159.2	-168	-87.4	0	0	0	110	E124 L678 N684 L685 N690	E124-H682 VanDerWaalsContact CG-CE1 3.46Å; E124-H682 WeakPolarHBondContact CG-CE1 3.44Å; E124-H682 IonicContact OE2-CE1 3.47Å; L678-H682 HydrophobicContact CD2-CB 4Å; L678-H682 HydrophobicContact CG-CB 4.49Å; H682-N684 PolarHBondContact CE1-ND2 2.89Å; H682-N684 WeakPolarHBondContact ND1-CB 3.38Å; H682-N684 PolarHBondContact ND1-N 2.96Å; H682-N684 PolarHBondContact O-N 3.42Å; H682-N684 VanDerWaalsContact O-N 3.07Å; H682-L685 HydrophobicContact CB-CD1 3.72Å; H682-L685 HydrophobicContact CB-CG 3.87Å; H682-L685 WeakPolarHBondContact O-CB 3.38Å; H682-L685 PolarHBondContact O-N 2.69Å; H682-N690 PolarHBondContact N-OD1 3.22Å; H682-N690 PolarHBondContact O-ND2 3.47Å; H682-N690 PolarHBondContact O-OD1 3.22Å
683	H	87.7	Confident	91.7	Very high	28 Å²	28	11.9 Å²	11.9	13%	0.13	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.1	-176.8	75.8	97	0	0	0	112.8	E552 F681 K796	E552-H683 WeakPolarHBondContact OE2-CA 3.21Å; F681-H683 HydrophobicContact CE1-CB 4.44Å; H683-K796 WeakPolarHBondContact O-CE 3.19Å; H683-K796 PolarHBondContact O-NZ 3.36Å
684	N	86.8	Confident	92	Very high	44 Å²	44	11.8 Å²	11.8	24%	0.235	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-8	174.9	-68.6	-27.8	0	0	0	114.9	T122 E124 C125 H682	T122-N684 HydrophobicContact CG2-CB 4.34Å; E124-N684 PolarHBondContact OE2-ND2 2.93Å; C125-N684 PolarHBondContact SG-O 3.47Å; H682-N684 PolarHBondContact CE1-ND2 2.89Å; H682-N684 WeakPolarHBondContact ND1-CB 3.38Å; H682-N684 PolarHBondContact ND1-N 2.96Å; H682-N684 PolarHBondContact O-N 3.42Å; H682-N684 VanDerWaalsContact O-N 3.07Å
685	L	90.4	Very high	92.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-88	160.3	-177	-68.5	175.3	0	0	0	112.8	C125 S128 L678 H682 F689 L801	C125-L685 HydrophobicContact CB-CD2 4.35Å; S128-L685 WeakPolarHBondContact OG-CD2 3.38Å; L678-L685 HydrophobicContact CD2-CD1 3.54Å; H682-L685 HydrophobicContact CB-CD1 3.72Å; H682-L685 HydrophobicContact CB-CG 3.87Å; H682-L685 WeakPolarHBondContact O-CB 3.38Å; H682-L685 PolarHBondContact O-N 2.69Å; L685-F689 HydrophobicContact CB-CB 4.23Å; L685-F689 HydrophobicContact CB-CD1 4.19Å; L685-F689 HydrophobicContact CB-CG 4.24Å; L685-F689 HydrophobicContact CD1-CD1 3.34Å; L685-F689 HydrophobicContact CD1-CD2 4.11Å; L685-F689 HydrophobicContact CD1-CE1 3.29Å; L685-F689 HydrophobicContact CD1-CE2 4.06Å; L685-F689 HydrophobicContact CD1-CG 3.77Å; L685-F689 HydrophobicContact CD1-CZ 3.67Å; L685-F689 HydrophobicContact CG-CD1 4.38Å; L685-L801 HydrophobicContact CD2-CD2 3.94Å
686	P	90.5	Very high	92.9	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.061	C	C	.	.			trans	-63.8	155.1	177	-21.8	34.8	0	0	0	112.6	A688 F689 N690 R799 L801	P686-A688 PolarHBondContact O-N 3.3Å; P686-F689 WeakPolarHBondContact O-CB 3.42Å; P686-F689 PolarHBondContact O-N 2.91Å; P686-N690 PolarHBondContact O-N 3.43Å; P686-R799 VanDerWaalsContact CB-O 3.27Å; P686-R799 WeakPolarHBondContact CB-O 3.18Å; P686-R799 WeakPolarHBondContact CG-O 3.41Å; P686-L801 HydrophobicContact CG-CD2 4.14Å; P686-L801 HydrophobicContact CG-CG 4.15Å
687	A	91.9	Very high	93	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-58	-38.2	179.2	0	0	0	0	0	112.2	F689 N690 F691 F785 I789 Y797	A687-F689 PolarHBondContact O-N 3.11Å; A687-N690 PolarHBondContact O-N 3.42Å; A687-F691 HydrophobicContact CB-CD2 4.23Å; A687-F691 WeakPolarHBondContact O-CB 3.13Å; A687-F691 WeakPolarHBondContact O-CD2 3.39Å; A687-F691 PolarHBondContact O-N 3.37Å; A687-F785 HydrophobicContact CB-CD2 4.22Å; A687-F785 HydrophobicContact CB-CE2 4.12Å; A687-I789 HydrophobicContact CB-CG2 4.42Å; A687-Y797 HydrophobicContact CB-CD1 4.38Å; A687-Y797 PolarHBondContact N-O 3.35Å
688	A	93.1	Very high	93.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-54.9	-40.6	176.3	0	0	0	0	0	112.9	P686 G692 F785 S808 L811 F812	P686-A688 PolarHBondContact O-N 3.3Å; A688-G692 PolarHBondContact O-N 3.01Å; A688-F785 VanDerWaalsContact CA-CE2 3.44Å; A688-F785 HydrophobicContact CB-CE2 3.82Å; A688-F785 HydrophobicContact CB-CZ 3.75Å; A688-S808 WeakPolarHBondContact CB-O 3.48Å; A688-L811 HydrophobicContact CB-CB 4.18Å; A688-L811 HydrophobicContact CB-CD2 4.1Å; A688-L811 HydrophobicContact CB-CG 4.2Å; A688-F812 HydrophobicContact CB-CB 4.41Å; A688-F812 WeakPolarHBondContact O-CA 3.47Å
689	F	94.4	Very high	93.5	Very high	6 Å²	6	7.1 Å²	7.1	3%	0.026	4%	0.038	C	C	.	.	H	α-helix	trans	-67.6	-53.1	176.9	-173.6	-73.5	0	0	0	110.6	I132 L678 P679 L685 P686 A687 F691 G692 G693 L801 I815	I132-F689 HydrophobicContact CD1-CD2 4.13Å; I132-F689 HydrophobicContact CD1-CE2 4Å; I132-F689 HydrophobicContact CG1-CE2 4.48Å; L678-F689 HydrophobicContact CD2-CZ 4.46Å; P679-F689 VanDerWaalsContact O-CE1 3.28Å; P679-F689 WeakPolarHBondContact O-CE1 3.46Å; P679-F689 WeakPolarHBondContact O-CZ 3.44Å; L685-F689 HydrophobicContact CB-CB 4.23Å; L685-F689 HydrophobicContact CB-CD1 4.19Å; L685-F689 HydrophobicContact CB-CG 4.24Å; L685-F689 HydrophobicContact CD1-CD1 3.34Å; L685-F689 HydrophobicContact CD1-CD2 4.11Å; L685-F689 HydrophobicContact CD1-CE1 3.29Å; L685-F689 HydrophobicContact CD1-CE2 4.06Å; L685-F689 HydrophobicContact CD1-CG 3.77Å; L685-F689 HydrophobicContact CD1-CZ 3.67Å; L685-F689 HydrophobicContact CG-CD1 4.38Å; P686-F689 WeakPolarHBondContact O-CB 3.42Å; P686-F689 PolarHBondContact O-N 2.91Å; A687-F689 PolarHBondContact O-N 3.11Å; F689-F691 VanDerWaalsContact C-N 3.33Å; F689-F691 PolarHBondContact O-N 3.01Å; F689-G692 PolarHBondContact O-N 3.39Å; F689-G693 PolarHBondContact O-N 2.95Å; F689-L801 HydrophobicContact CD2-CD1 4.19Å; F689-I815 HydrophobicContact CB-CG1 4.38Å; F689-I815 HydrophobicContact CD2-CD1 3.46Å; F689-I815 VanDerWaalsContact CD2-CD1 3.46Å; F689-I815 HydrophobicContact CD2-CG1 3.63Å; F689-I815 HydrophobicContact CD2-CG2 4.39Å; F689-I815 HydrophobicContact CE2-CD1 3.54Å; F689-I815 HydrophobicContact CE2-CG1 4.14Å; F689-I815 HydrophobicContact CE2-CG2 4.47Å; F689-I815 HydrophobicContact CG-CD1 4.39Å; F689-I815 HydrophobicContact CG-CG1 4.12Å; F689-I815 HydrophobicContact CG-CG2 4.42Å
690	N	95.2	Very high	93.7	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-64.5	-35.5	-175.2	-72.5	-15.8	0	0	0	112.5	E552 M556 F681 H682 P686 A687 L694 G695	E552-N690 PolarHBondContact OE1-ND2 3.3Å; M556-N690 HydrophobicContact CE-CB 3.81Å; F681-N690 HydrophobicContact CD2-CB 3.8Å; F681-N690 VanDerWaalsContact CD2-CG 3.49Å; F681-N690 HydrophobicContact CE2-CB 4Å; H682-N690 PolarHBondContact N-OD1 3.22Å; H682-N690 PolarHBondContact O-ND2 3.47Å; H682-N690 PolarHBondContact O-OD1 3.22Å; P686-N690 PolarHBondContact O-N 3.43Å; A687-N690 PolarHBondContact O-N 3.42Å; N690-L694 PolarHBondContact O-N 3.5Å; N690-G695 PolarHBondContact O-N 2.69Å
691	F	96.7	Very high	93.8	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.009	3%	0.029	C	C	.	.	I	π-helix	trans	-75.9	-36.2	174.4	-85.1	-89.7	0	0	0	112.9	M556 A687 F689 G695 S696 A784 F785 W788 F812	M556-F691 HydrophobicContact CB-CZ 4.35Å; M556-F691 HydrophobicContact CE-CD2 4.3Å; M556-F691 HydrophobicContact CE-CE2 4.47Å; M556-F691 HydrophobicContact CE-CG 4.47Å; M556-F691 HydrophobicContact CG-CD1 4.22Å; M556-F691 HydrophobicContact CG-CE1 3.73Å; M556-F691 HydrophobicContact CG-CE2 4.37Å; M556-F691 HydrophobicContact CG-CZ 3.82Å; A687-F691 HydrophobicContact CB-CD2 4.23Å; A687-F691 WeakPolarHBondContact O-CB 3.13Å; A687-F691 WeakPolarHBondContact O-CD2 3.39Å; A687-F691 PolarHBondContact O-N 3.37Å; F689-F691 VanDerWaalsContact C-N 3.33Å; F689-F691 PolarHBondContact O-N 3.01Å; F691-G695 CarbonylContact O-C 3.49Å; F691-G695 VanDerWaalsContact O-CA 3.26Å; F691-G695 WeakPolarHBondContact O-CA 3.46Å; F691-G695 PolarHBondContact O-N 2.73Å; F691-S696 PolarHBondContact O-N 2.78Å; F691-A784 HydrophobicContact CD1-CB 4.37Å; F691-A784 HydrophobicContact CE1-CB 3.75Å; F691-F785 HydrophobicContact CB-CB 3.71Å; F691-F785 HydrophobicContact CB-CD2 4.2Å; F691-F785 HydrophobicContact CB-CG 4.17Å; F691-F785 HydrophobicContact CD1-CB 3.81Å; F691-F785 HydrophobicContact CD2-CB 4.09Å; F691-F785 HydrophobicContact CD2-CD2 4.03Å; F691-F785 HydrophobicContact CE1-CB 4.41Å; F691-F785 HydrophobicContact CG-CB 3.62Å; F691-F785 HydrophobicContact CG-CD2 4.25Å; F691-F785 HydrophobicContact CG-CG 4.35Å; F691-W788 HydrophobicContact CE2-CB 4.06Å; F691-W788 AromaticContact CE2-CD2 3.83Å; F691-W788 HydrophobicContact CE2-CD2 3.83Å; F691-W788 AromaticContact CE2-CE3 3.81Å; F691-W788 HydrophobicContact CE2-CE3 3.81Å; F691-W788 AromaticContact CE2-CG 3.93Å; F691-W788 HydrophobicContact CE2-CG 3.93Å; F691-W788 HydrophobicContact CE2-CZ3 4.44Å; F691-W788 HydrophobicContact CZ-CB 4.08Å; F691-W788 HydrophobicContact CZ-CD2 4.06Å; F691-W788 AromaticContact CZ-CE3 3.63Å; F691-W788 HydrophobicContact CZ-CE3 3.63Å; F691-W788 HydrophobicContact CZ-CG 4.26Å; F691-W788 HydrophobicContact CZ-CZ3 4.29Å; F691-F812 HydrophobicContact CB-CD2 3.93Å; F691-F812 HydrophobicContact CB-CE2 3.86Å
692	G	96.3	Very high	93.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-66	-39.8	175.7	0	0	0	0	0	112.4	A688 F689 S696 Y816	A688-G692 PolarHBondContact O-N 3.01Å; F689-G692 PolarHBondContact O-N 3.39Å; G692-S696 WeakPolarHBondContact O-CB 3.43Å; G692-S696 PolarHBondContact O-OG 2.89Å; G692-Y816 WeakPolarHBondContact O-CA 3.29Å
693	G	96	Very high	93.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	I	π-helix	trans	-80.4	-89.2	174.6	0	0	0	0	0	112.2	F689 S696 L697	F689-G693 PolarHBondContact O-N 2.95Å; G693-S696 PolarHBondContact O-OG 3.21Å; G693-L697 PolarHBondContact O-N 2.84Å
694	L	96.3	Very high	93.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	I	π-helix	trans	-64	-43.4	-174.8	-178.6	63.2	0	0	0	113.3	V553 M556 V660 I671 M675 L676 I680 F681 N690 S696 L697 I698	V553-L694 HydrophobicContact CG2-CD2 4.01Å; M556-L694 HydrophobicContact SD-CB 4.42Å; M556-L694 HydrophobicContact SD-CD2 4.17Å; M556-L694 HydrophobicContact SD-CG 4.19Å; V660-L694 HydrophobicContact CG2-CD1 4.42Å; I671-L694 HydrophobicContact CG2-CD1 3.91Å; M675-L694 HydrophobicContact CE-CD1 4.42Å; M675-L694 HydrophobicContact CG-CD1 4.45Å; M675-L694 HydrophobicContact SD-CD1 4.2Å; L676-L694 HydrophobicContact CD2-CD1 4.28Å; L676-L694 HydrophobicContact CD2-CD2 3.43Å; L676-L694 VanDerWaalsContact CD2-CD2 3.43Å; I680-L694 HydrophobicContact CG2-CB 3.84Å; I680-L694 HydrophobicContact CG2-CD1 4.37Å; I680-L694 PolarHBondContact O-N 3.16Å; F681-L694 HydrophobicContact CB-CB 4.09Å; F681-L694 HydrophobicContact CB-CD2 4.14Å; F681-L694 HydrophobicContact CD2-CB 4.24Å; F681-L694 HydrophobicContact CD2-CD2 3.64Å; F681-L694 HydrophobicContact CE2-CD2 4.28Å; F681-L694 HydrophobicContact CG-CD2 3.94Å; N690-L694 PolarHBondContact O-N 3.5Å; L694-S696 VanDerWaalsContact C-N 3.29Å; L694-S696 PolarHBondContact O-N 3.48Å; L694-L697 PolarHBondContact O-N 3.34Å; L694-L697 VanDerWaalsContact O-N 3.15Å; L694-I698 HydrophobicContact CD1-CD1 4.03Å; L694-I698 HydrophobicContact CD1-CG1 4.13Å; L694-I698 HydrophobicContact CD2-CD1 4.19Å; L694-I698 HydrophobicContact CG-CD1 3.68Å; L694-I698 HydrophobicContact CG-CG1 4.23Å; L694-I698 WeakPolarHBondContact O-CG1 3.26Å; L694-I698 PolarHBondContact O-N 3.22Å
695	G	97.3	Very high	94	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	I	π-helix	trans	-58.9	-39.2	-177	0	0	0	0	0	112.9	N690 F691 G699 A781	N690-G695 PolarHBondContact O-N 2.69Å; F691-G695 CarbonylContact O-C 3.49Å; F691-G695 VanDerWaalsContact O-CA 3.26Å; F691-G695 WeakPolarHBondContact O-CA 3.46Å; F691-G695 PolarHBondContact O-N 2.73Å; G695-G699 PolarHBondContact O-N 2.94Å; G695-A781 WeakPolarHBondContact O-CB 3.31Å
696	S	96.8	Very high	94	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-71.6	-32	177.7	72.4	0	0	0	0	113.3	R201 F691 G692 G693 L694 G699 T700 Y816	R201-S696 PolarHBondContact NH1-OG 2.79Å; R201-S696 PolarHBondContact NH2-OG 3.37Å; F691-S696 PolarHBondContact O-N 2.78Å; G692-S696 WeakPolarHBondContact O-CB 3.43Å; G692-S696 PolarHBondContact O-OG 2.89Å; G693-S696 PolarHBondContact O-OG 3.21Å; L694-S696 VanDerWaalsContact C-N 3.29Å; L694-S696 PolarHBondContact O-N 3.48Å; S696-G699 PolarHBondContact O-N 3.17Å; S696-T700 WeakPolarHBondContact O-CB 3.36Å; S696-T700 PolarHBondContact O-N 3.06Å; S696-T700 PolarHBondContact O-OG1 3.01Å; S696-Y816 WeakPolarHBondContact OG-CD2 3.35Å
697	L	95	Very high	93.9	Very high	1 Å²	1	1.1 Å²	1.1	1%	0.005	1%	0.007	C	C	.	.	H	α-helix	trans	-68.9	-44.9	173.8	-76.5	154.9	0	0	0	111.2	F199 R201 V660 M675 I680 G693 L694 G699 T700 A701	F199-L697 HydrophobicContact CB-CD2 4.41Å; R201-L697 HydrophobicContact CG-CD2 3.9Å; V660-L697 HydrophobicContact CG2-CB 3.95Å; M675-L697 HydrophobicContact CE-CB 4.08Å; M675-L697 HydrophobicContact CE-CD1 3.18Å; M675-L697 HydrophobicContact CE-CD2 4.36Å; M675-L697 HydrophobicContact CE-CG 4.02Å; I680-L697 HydrophobicContact CD1-CD1 4.13Å; I680-L697 HydrophobicContact CG1-CD1 4.45Å; I680-L697 HydrophobicContact CG2-CD1 4.02Å; G693-L697 PolarHBondContact O-N 2.84Å; L694-L697 PolarHBondContact O-N 3.34Å; L694-L697 VanDerWaalsContact O-N 3.15Å; L697-G699 VanDerWaalsContact C-N 3.35Å; L697-T700 PolarHBondContact O-N 3.05Å; L697-A701 PolarHBondContact O-N 2.87Å; L697-A701 VanDerWaalsContact O-N 3.07Å
698	I	96.3	Very high	93.8	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-63.9	-43.5	173.2	-58.8	166	0	0	0	110.2	M556 T557 L560 V660 I671 L694 T700 A701 I702	M556-I698 HydrophobicContact SD-CD1 3.99Å; T557-I698 HydrophobicContact CG2-CD1 4.37Å; L560-I698 HydrophobicContact CD1-CB 3.69Å; L560-I698 HydrophobicContact CD1-CD1 4.16Å; L560-I698 HydrophobicContact CD1-CG2 3.52Å; V660-I698 HydrophobicContact CG2-CG1 4.33Å; I671-I698 HydrophobicContact CD1-CD1 3.39Å; I671-I698 HydrophobicContact CD1-CG1 3.68Å; I671-I698 HydrophobicContact CD1-CG2 4.34Å; I671-I698 HydrophobicContact CG1-CD1 4.15Å; I671-I698 HydrophobicContact CG1-CG1 3.97Å; L694-I698 HydrophobicContact CD1-CD1 4.03Å; L694-I698 HydrophobicContact CD1-CG1 4.13Å; L694-I698 HydrophobicContact CD2-CD1 4.19Å; L694-I698 HydrophobicContact CG-CD1 3.68Å; L694-I698 HydrophobicContact CG-CG1 4.23Å; L694-I698 WeakPolarHBondContact O-CG1 3.26Å; L694-I698 PolarHBondContact O-N 3.22Å; I698-T700 VanDerWaalsContact C-N 3.3Å; I698-T700 PolarHBondContact O-N 3.01Å; I698-A701 PolarHBondContact O-N 3.18Å; I698-I702 HydrophobicContact CG2-CD1 3.72Å; I698-I702 HydrophobicContact CG2-CG1 4.26Å; I698-I702 WeakPolarHBondContact O-CB 3.28Å; I698-I702 VanDerWaalsContact O-CG1 3.3Å; I698-I702 WeakPolarHBondContact O-CG1 3.37Å; I698-I702 PolarHBondContact O-N 3Å
699	G	95.9	Very high	93.3	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-55.6	-45	176	0	0	0	0	0	111.8	G695 S696 L697 I702 G703 G777	G695-G699 PolarHBondContact O-N 2.94Å; S696-G699 PolarHBondContact O-N 3.17Å; L697-G699 VanDerWaalsContact C-N 3.35Å; G699-I702 PolarHBondContact O-N 3.36Å; G699-G703 PolarHBondContact O-N 3.38Å; G699-G777 WeakPolarHBondContact O-CA 3.43Å
700	T	94	Very high	92.9	Very high	2 Å²	2	1.9 Å²	1.9	1%	0.012	1%	0.01	C	C	.	.	H	α-helix	trans	-63.8	-45.6	177.4	-59.1	0	0	0	0	111.7	S696 L697 I698 I702 G703 I704 E774	S696-T700 WeakPolarHBondContact O-CB 3.36Å; S696-T700 PolarHBondContact O-N 3.06Å; S696-T700 PolarHBondContact O-OG1 3.01Å; L697-T700 PolarHBondContact O-N 3.05Å; I698-T700 VanDerWaalsContact C-N 3.3Å; I698-T700 PolarHBondContact O-N 3.01Å; T700-I702 VanDerWaalsContact C-N 3.3Å; T700-I702 PolarHBondContact O-N 3.43Å; T700-G703 PolarHBondContact O-N 2.92Å; T700-I704 HydrophobicContact CG2-CD1 4.03Å; T700-I704 VanDerWaalsContact O-CG1 3.31Å; T700-I704 WeakPolarHBondContact O-CG1 3.19Å; T700-I704 PolarHBondContact O-N 3.31Å; T700-E774 HydrophobicContact CG2-CG 4.24Å; T700-E774 PolarHBondContact OG1-OE2 2.98Å
701	A	93.2	Very high	92.5	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-58.1	-43.9	176.2	0	0	0	0	0	112.1	F199 V660 V669 L697 I698 L705	F199-A701 HydrophobicContact CD2-CB 3.7Å; F199-A701 HydrophobicContact CE2-CB 3.31Å; F199-A701 HydrophobicContact CZ-CB 4.11Å; V660-A701 HydrophobicContact CG1-CB 3.71Å; V669-A701 HydrophobicContact CG1-CB 4Å; V669-A701 HydrophobicContact CG2-CB 4.44Å; L697-A701 PolarHBondContact O-N 2.87Å; L697-A701 VanDerWaalsContact O-N 3.07Å; I698-A701 PolarHBondContact O-N 3.18Å; A701-L705 PolarHBondContact O-N 3.02Å
702	I	93.1	Very high	91.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-68.3	-43.1	177.7	-69.6	176.1	0	0	0	110.9	L560 L564 M589 I591 V669 I698 G699 T700 I704 L705 V706	L560-I702 HydrophobicContact CB-CD1 4.34Å; L564-I702 HydrophobicContact CD2-CG2 3.41Å; L564-I702 VanDerWaalsContact CD2-CG2 3.41Å; L564-I702 HydrophobicContact CG-CG2 4.45Å; M589-I702 HydrophobicContact CE-CD1 4.09Å; M589-I702 HydrophobicContact CE-CG1 4.16Å; M589-I702 HydrophobicContact CE-CG2 4.37Å; M589-I702 HydrophobicContact SD-CD1 4.4Å; M589-I702 HydrophobicContact SD-CG1 3.84Å; M589-I702 HydrophobicContact SD-CG2 4.35Å; I591-I702 HydrophobicContact CD1-CD1 3.82Å; V669-I702 HydrophobicContact CG2-CG1 4.33Å; I698-I702 HydrophobicContact CG2-CD1 3.72Å; I698-I702 HydrophobicContact CG2-CG1 4.26Å; I698-I702 WeakPolarHBondContact O-CB 3.28Å; I698-I702 VanDerWaalsContact O-CG1 3.3Å; I698-I702 WeakPolarHBondContact O-CG1 3.37Å; I698-I702 PolarHBondContact O-N 3Å; G699-I702 PolarHBondContact O-N 3.36Å; T700-I702 VanDerWaalsContact C-N 3.3Å; T700-I702 PolarHBondContact O-N 3.43Å; I702-I704 VanDerWaalsContact C-N 3.3Å; I702-I704 PolarHBondContact O-N 3.1Å; I702-L705 WeakPolarHBondContact O-CB 3.35Å; I702-L705 PolarHBondContact O-N 3.24Å; I702-L705 VanDerWaalsContact O-N 3.11Å; I702-V706 VanDerWaalsContact O-CG2 3.3Å; I702-V706 WeakPolarHBondContact O-CG2 3.15Å; I702-V706 PolarHBondContact O-N 3.08Å
703	G	91.8	Very high	90.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-58.8	-39.8	176.6	0	0	0	0	0	112.3	G699 T700 V706 G707	G699-G703 PolarHBondContact O-N 3.38Å; T700-G703 PolarHBondContact O-N 2.92Å; G703-V706 PolarHBondContact O-N 3.27Å; G703-G707 WeakPolarHBondContact O-CA 3.38Å; G703-G707 PolarHBondContact O-N 3.48Å
704	I	90.6	Very high	89.3	Confident	5 Å²	5	10.4 Å²	10.4	3%	0.026	5%	0.053	C	C	.	.	H	α-helix	trans	-63.9	-42.5	174.2	-71	167.8	0	0	0	111.7	F179 F199 L662 T700 I702 V706 Y709 G710 N773	F179-I704 HydrophobicContact CZ-CD1 4.3Å; F199-I704 HydrophobicContact CD1-CD1 4.06Å; F199-I704 HydrophobicContact CE1-CD1 3.15Å; F199-I704 HydrophobicContact CZ-CD1 3.6Å; L662-I704 HydrophobicContact CD2-CB 4.05Å; L662-I704 HydrophobicContact CD2-CG2 3.59Å; T700-I704 HydrophobicContact CG2-CD1 4.03Å; T700-I704 VanDerWaalsContact O-CG1 3.31Å; T700-I704 WeakPolarHBondContact O-CG1 3.19Å; T700-I704 PolarHBondContact O-N 3.31Å; I702-I704 VanDerWaalsContact C-N 3.3Å; I702-I704 PolarHBondContact O-N 3.1Å; I704-V706 PolarHBondContact O-N 3.29Å; I704-Y709 HydrophobicContact CG2-CD2 3.98Å; I704-Y709 HydrophobicContact CG2-CG 4.24Å; I704-G710 PolarHBondContact O-N 3.23Å; I704-N773 HydrophobicContact CD1-CB 4.1Å; I704-N773 HydrophobicContact CG1-CB 3.59Å; I704-N773 VanDerWaalsContact CG1-CG 3.41Å; I704-N773 WeakPolarHBondContact CG1-ND2 3.48Å
705	L	89.7	Confident	87.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-29.2	-179.2	178.6	64.6	0	0	0	112.9	M589 L662 L664 D667 A701 I702 G710	M589-L705 HydrophobicContact CB-CD2 3.91Å; M589-L705 HydrophobicContact CG-CD2 3.49Å; M589-L705 VanDerWaalsContact CG-CD2 3.49Å; M589-L705 HydrophobicContact SD-CD2 3.39Å; M589-L705 WeakPolarHBondContact SD-CD2 3.42Å; L662-L705 HydrophobicContact CD1-CB 4.13Å; L662-L705 HydrophobicContact CD1-CD1 4.14Å; L662-L705 HydrophobicContact CD1-CG 4.48Å; L662-L705 HydrophobicContact CD2-CB 4.37Å; L664-L705 HydrophobicContact CD1-CD1 3.93Å; D667-L705 HydrophobicContact CB-CD1 4.25Å; D667-L705 HydrophobicContact CB-CD2 4.28Å; D667-L705 WeakPolarHBondContact OD1-CD1 3.48Å; A701-L705 PolarHBondContact O-N 3.02Å; I702-L705 WeakPolarHBondContact O-CB 3.35Å; I702-L705 PolarHBondContact O-N 3.24Å; I702-L705 VanDerWaalsContact O-N 3.11Å; L705-G710 WeakPolarHBondContact O-CA 3.43Å
706	V	89.8	Confident	86.4	Confident	1 Å²	1	24 Å²	24	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-108.2	-12.4	-179.4	-65.5	0	0	0	0	114.7	L564 V582 I586 I702 G703 I704 L878	L564-V706 HydrophobicContact CD1-CG2 3.82Å; L564-V706 HydrophobicContact CD2-CG1 4.14Å; L564-V706 HydrophobicContact CD2-CG2 4.11Å; V582-V706 HydrophobicContact CG1-CB 3.72Å; V582-V706 HydrophobicContact CG1-CG1 3.81Å; I586-V706 HydrophobicContact CD1-CG1 4.25Å; I586-V706 HydrophobicContact CG1-CG1 3.72Å; I702-V706 VanDerWaalsContact O-CG2 3.3Å; I702-V706 WeakPolarHBondContact O-CG2 3.15Å; I702-V706 PolarHBondContact O-N 3.08Å; G703-V706 PolarHBondContact O-N 3.27Å; I704-V706 PolarHBondContact O-N 3.29Å; V706-L878 HydrophobicContact CG2-CD1 3.46Å; V706-L878 VanDerWaalsContact CG2-CD1 3.46Å
707	G	89.4	Confident	84.7	Confident	4 Å²	4	26.9 Å²	26.9	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	-81.2	-151.4	176.9	0	0	0	0	0	113.5	G703 Y709 G710 S711 W723	G703-G707 WeakPolarHBondContact O-CA 3.38Å; G703-G707 PolarHBondContact O-N 3.48Å; G707-Y709 VanDerWaalsContact C-N 3.3Å; G707-Y709 PolarHBondContact O-N 2.95Å; G707-G710 CarbonylContact O-C 3.58Å; G707-G710 VanDerWaalsContact O-CA 3.27Å; G707-G710 WeakPolarHBondContact O-CA 3.21Å; G707-G710 PolarHBondContact O-N 2.92Å; G707-S711 PolarHBondContact O-N 2.95Å; G707-W723 VanDerWaalsContact C-CZ2 3.43Å; G707-W723 WeakPolarHBondContact O-CZ2 2.84Å
708	E	88.5	Confident	83.3	Confident	17 Å²	17	33.4 Å²	33.4	8%	0.079	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.1	-174.7	-152.5	-164.6	151.9	0	0	112.3	I184 G710 S711 Y731 K735 R769	I184-E708 VanDerWaalsContact CD1-C 3.44Å; I184-E708 HydrophobicContact CD1-CB 3.74Å; I184-E708 VanDerWaalsContact CD1-CD 3.47Å; I184-E708 HydrophobicContact CD1-CG 3.35Å; I184-E708 VanDerWaalsContact CD1-O 3.23Å; I184-E708 WeakPolarHBondContact CD1-O 2.8Å; I184-E708 WeakPolarHBondContact CD1-OE1 3.5Å; E708-G710 VanDerWaalsContact C-N 3.31Å; E708-G710 PolarHBondContact O-N 3.49Å; E708-S711 WeakPolarHBondContact O-CB 3.42Å; E708-S711 PolarHBondContact O-N 2.96Å; E708-S711 PolarHBondContact O-OG 3.03Å; E708-Y731 HydrophobicContact CB-CE1 4.06Å; E708-Y731 HydrophobicContact CG-CE1 3.72Å; E708-K735 VanDerWaalsContact CD-NZ 3.33Å; E708-K735 IonicContact OE1-NZ 2.96Å; E708-K735 PolarHBondContact OE1-NZ 3.04Å; E708-K735 IonicContact OE2-NZ 2.69Å; E708-K735 PolarHBondContact OE2-NZ 3.47Å; E708-R769 IonicContact OE1-CZ 3.95Å; E708-R769 IonicContact OE1-NE 2.78Å; E708-R769 PolarHBondContact OE1-NE 3.41Å; E708-R769 VanDerWaalsContact OE1-NE 3.13Å; E708-R769 IonicContact OE1-NH2 3.88Å; E708-R769 WeakPolarHBondContact OE2-CD 3.15Å; E708-R769 VanDerWaalsContact OE2-CG 3.29Å; E708-R769 WeakPolarHBondContact OE2-CG 3.46Å; E708-R769 IonicContact OE2-NE 3.15Å; E708-R769 PolarHBondContact OE2-NE 2.99Å
709	Y	83.5	Confident	82	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-67.6	-35.1	175.8	-68.7	-74.2	0	0	0	112.1	F179 I184 I704 G707 S711 R769	F179-Y709 HydrophobicContact CD1-CD1 4.44Å; F179-Y709 HydrophobicContact CD1-CD2 4.48Å; F179-Y709 AromaticContact CD1-CE1 3.6Å; F179-Y709 HydrophobicContact CD1-CE1 3.6Å; F179-Y709 AromaticContact CD1-CE2 3.62Å; F179-Y709 HydrophobicContact CD1-CE2 3.62Å; F179-Y709 AromaticContact CD1-CZ 3.12Å; F179-Y709 WeakPolarHBondContact CD1-OH 3.47Å; F179-Y709 HydrophobicContact CE1-CD1 4.33Å; F179-Y709 AromaticContact CE1-CD2 3.96Å; F179-Y709 HydrophobicContact CE1-CD2 3.96Å; F179-Y709 AromaticContact CE1-CE1 3.89Å; F179-Y709 HydrophobicContact CE1-CE1 3.89Å; F179-Y709 AromaticContact CE1-CE2 3.45Å; F179-Y709 HydrophobicContact CE1-CE2 3.45Å; F179-Y709 VanDerWaalsContact CE1-CE2 3.45Å; F179-Y709 HydrophobicContact CE1-CG 4.38Å; F179-Y709 AromaticContact CE1-CZ 3.45Å; F179-Y709 VanDerWaalsContact CE1-CZ 3.45Å; F179-Y709 HydrophobicContact CZ-CE2 4.49Å; I184-Y709 HydrophobicContact CD1-CD1 4.09Å; I184-Y709 HydrophobicContact CD1-CE1 4.26Å; I184-Y709 HydrophobicContact CD1-CG 4.43Å; I184-Y709 HydrophobicContact CG1-CD1 4.19Å; I184-Y709 HydrophobicContact CG1-CE1 4.1Å; I184-Y709 HydrophobicContact CG2-CD1 4.43Å; I704-Y709 HydrophobicContact CG2-CD2 3.98Å; I704-Y709 HydrophobicContact CG2-CG 4.24Å; G707-Y709 VanDerWaalsContact C-N 3.3Å; G707-Y709 PolarHBondContact O-N 2.95Å; Y709-S711 VanDerWaalsContact C-N 3.26Å; Y709-S711 PolarHBondContact O-N 2.9Å; Y709-R769 HydrophobicContact CE2-CB 4.21Å; Y709-R769 VanDerWaalsContact OH-CD 3.3Å; Y709-R769 WeakPolarHBondContact OH-CD 3.17Å
710	G	84.6	Confident	81.1	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-71.3	-9.4	172.2	0	0	0	0	0	115.5	R585 I704 L705 G707 E708 F712 I722	R585-G710 PolarHBondContact NH1-O 2.63Å; I704-G710 PolarHBondContact O-N 3.23Å; L705-G710 WeakPolarHBondContact O-CA 3.43Å; G707-G710 CarbonylContact O-C 3.58Å; G707-G710 VanDerWaalsContact O-CA 3.27Å; G707-G710 WeakPolarHBondContact O-CA 3.21Å; G707-G710 PolarHBondContact O-N 2.92Å; E708-G710 VanDerWaalsContact C-N 3.31Å; E708-G710 PolarHBondContact O-N 3.49Å; G710-F712 PolarHBondContact O-N 2.76Å; G710-I722 WeakPolarHBondContact O-CD1 3.34Å
711	S	86.7	Confident	80.7	Confident	5 Å²	5	42.7 Å²	42.7	4%	0.035	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-72.7	-8.3	-177.4	82.8	0	0	0	0	113.2	G707 E708 Y709 S721 I722	G707-S711 PolarHBondContact O-N 2.95Å; E708-S711 WeakPolarHBondContact O-CB 3.42Å; E708-S711 PolarHBondContact O-N 2.96Å; E708-S711 PolarHBondContact O-OG 3.03Å; Y709-S711 VanDerWaalsContact C-N 3.26Å; Y709-S711 PolarHBondContact O-N 2.9Å; S711-S721 CarbonylContact O-C 2.81Å; S711-S721 WeakPolarHBondContact O-CA 3.23Å; S711-I722 PolarHBondContact O-N 2.86Å
712	F	80.2	Confident	80.4	Confident	29 Å²	29	43.6 Å²	43.6	13%	0.127	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.2	176.3	-62.1	-86.5	0	0	0	111.4	I184 Q185 F188 R585 G710 I719 Q720	I184-F712 HydrophobicContact CB-CD2 4.22Å; I184-F712 HydrophobicContact CB-CE2 4.02Å; I184-F712 HydrophobicContact CG2-CD2 3.53Å; I184-F712 HydrophobicContact CG2-CE2 3.85Å; Q185-F712 HydrophobicContact CG-CE1 3.83Å; Q185-F712 HydrophobicContact CG-CE2 4.45Å; Q185-F712 HydrophobicContact CG-CZ 3.73Å; F188-F712 HydrophobicContact CD2-CB 4Å; F188-F712 HydrophobicContact CD2-CG 4.49Å; F188-F712 HydrophobicContact CE1-CB 4.46Å; F188-F712 HydrophobicContact CE2-CB 3.64Å; F188-F712 HydrophobicContact CE2-CD2 4.38Å; F188-F712 HydrophobicContact CE2-CG 4.37Å; F188-F712 HydrophobicContact CZ-CB 3.88Å; R585-F712 PolarHBondContact NH1-O 3.01Å; G710-F712 PolarHBondContact O-N 2.76Å; F712-I719 HydrophobicContact CB-CG2 4.02Å; F712-I719 HydrophobicContact CD1-CG2 3.72Å; F712-I719 HydrophobicContact CG-CG2 4.17Å; F712-Q720 WeakPolarHBondContact CA-O 3.27Å
713	M	74	Confident	80.3	Confident	72 Å²	72	44 Å²	44	36%	0.355	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.2	171.6	62.4	-175.1	-55.5	0	0	111	Q720 I722	M713-Q720 PolarHBondContact N-O 3.18Å; M713-Q720 PolarHBondContact O-N 3.22Å; M713-I722 HydrophobicContact CB-CD1 4.12Å; M713-I722 HydrophobicContact CB-CG1 4.34Å; M713-I722 HydrophobicContact CG-CD1 4.15Å; M713-I722 HydrophobicContact CG-CG1 3.94Å; M713-I722 HydrophobicContact SD-CD1 3.95Å; M713-I722 HydrophobicContact SD-CG1 3.9Å
714	L	68.8	Low	80.4	Confident	76 Å²	76	45.7 Å²	45.7	40%	0.398	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.6	170.2	-166.6	81.2	0	0	0	108.4	L665 E718 I719	L665-L714 HydrophobicContact CD2-CB 3.58Å; L665-L714 HydrophobicContact CD2-CD2 4.49Å; L714-E718 WeakPolarHBondContact CA-O 3.2Å; L714-I719 HydrophobicContact CD1-CG1 4.19Å
715	K	67.4	Low	80.5	Confident	103 Å²	103	50 Å²	50	45%	0.448	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.7	175.1	-166.5	178.4	-179.4	-178.5	0	108.2	G717 E718 Q720	K715-G717 PolarHBondContact O-N 3.48Å; K715-E718 PolarHBondContact N-O 3.08Å; K715-E718 PolarHBondContact O-N 2.65Å; K715-E718 VanDerWaalsContact O-O 3.14Å; K715-Q720 HydrophobicContact CB-CG 4.43Å
716	E	64.6	Low	80.7	Confident	184 Å²	184	55 Å²	55	86%	0.86	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	22.5	178.4	-64.9	170	-164.2	0	0	115.2
717	G	61.5	Low	80.9	Confident	60 Å²	60	55 Å²	55	62%	0.619	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-4.9	-178.4	0	0	0	0	0	114.3	K715	K715-G717 PolarHBondContact O-N 3.48Å
718	E	65	Low	81	Confident	137 Å²	137	56.9 Å²	56.9	64%	0.64	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.2	173.9	-62.3	-166	161.5	0	0	111.6	L714 K715	L714-E718 WeakPolarHBondContact CA-O 3.2Å; K715-E718 PolarHBondContact N-O 3.08Å; K715-E718 PolarHBondContact O-N 2.65Å; K715-E718 VanDerWaalsContact O-O 3.14Å
719	I	69.6	Low	81.2	Confident	59 Å²	59	61 Å²	61	30%	0.303	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.4	176	-61	160.1	0	0	0	107.3	F188 K189 F712 L714	F188-I719 HydrophobicContact CB-CD1 3.46Å; F188-I719 VanDerWaalsContact CB-CD1 3.46Å; F188-I719 HydrophobicContact CB-CG1 3.94Å; F188-I719 HydrophobicContact CB-CG2 4.32Å; F188-I719 HydrophobicContact CG-CG2 4.49Å; K189-I719 HydrophobicContact CG-CD1 3.88Å; F712-I719 HydrophobicContact CB-CG2 4.02Å; F712-I719 HydrophobicContact CD1-CG2 3.72Å; F712-I719 HydrophobicContact CG-CG2 4.17Å; L714-I719 HydrophobicContact CD1-CG1 4.19Å
720	Q	77.9	Confident	81.7	Confident	74 Å²	74	64.4 Å²	64.4	35%	0.346	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141	178.8	-63.1	-175.6	2.3	0	0	110.1	F712 M713 K715	F712-Q720 WeakPolarHBondContact CA-O 3.27Å; M713-Q720 PolarHBondContact N-O 3.18Å; M713-Q720 PolarHBondContact O-N 3.22Å; K715-Q720 HydrophobicContact CB-CG 4.43Å
721	S	85	Confident	82.1	Confident	65 Å²	65	64.5 Å²	64.5	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.3	171.7	-170.4	0	0	0	0	109.5	S711 W723	S711-S721 CarbonylContact O-C 2.81Å; S711-S721 WeakPolarHBondContact O-CA 3.23Å; S721-W723 PolarHBondContact OG-N 3.31Å; S721-W723 PolarHBondContact OG-O 2.96Å
722	I	87.6	Confident	82.4	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.092	36%	0.363	C	S	.	.	S	Bend	trans	-77.8	-39.4	168.7	-58.6	-171	0	0	0	109.5	D581 V582 G710 S711 M713	D581-I722 HydrophobicContact CB-CG2 3.62Å; V582-I722 HydrophobicContact CG2-CG2 4.36Å; G710-I722 WeakPolarHBondContact O-CD1 3.34Å; S711-I722 PolarHBondContact O-N 2.86Å; M713-I722 HydrophobicContact CB-CD1 4.12Å; M713-I722 HydrophobicContact CB-CG1 4.34Å; M713-I722 HydrophobicContact CG-CD1 4.15Å; M713-I722 HydrophobicContact CG-CG1 3.94Å; M713-I722 HydrophobicContact SD-CD1 3.95Å; M713-I722 HydrophobicContact SD-CG1 3.9Å
723	W	91.2	Very high	82.9	Confident	10 Å²	10	73.8 Å²	73.8	4%	0.038	39%	0.389	C	S	.	.	S	Bend	trans	-79.3	140.8	-178.4	-63.6	6.1	0	0	0	111	W573 T578 G707 S721 T727 V728 Y731	W573-W723 AromaticContact CH2-CH2 3.9Å; W573-W723 HydrophobicContact CH2-CH2 3.9Å; W573-W723 HydrophobicContact CH2-CZ2 4.17Å; W573-W723 HydrophobicContact CH2-CZ3 4.5Å; W573-W723 HydrophobicContact CZ3-CH2 4.02Å; W573-W723 HydrophobicContact CZ3-CZ2 4.35Å; W573-W723 HydrophobicContact CZ3-CZ3 4.2Å; T578-W723 HydrophobicContact CG2-CB 4.05Å; T578-W723 HydrophobicContact CG2-CG 3.74Å; G707-W723 VanDerWaalsContact C-CZ2 3.43Å; G707-W723 WeakPolarHBondContact O-CZ2 2.84Å; S721-W723 PolarHBondContact OG-N 3.31Å; S721-W723 PolarHBondContact OG-O 2.96Å; W723-T727 HydrophobicContact CB-CG2 4.25Å; W723-T727 HydrophobicContact CD2-CG2 4.07Å; W723-T727 HydrophobicContact CE3-CG2 4.06Å; W723-T727 HydrophobicContact CG-CG2 4.19Å; W723-V728 HydrophobicContact CB-CG2 3.93Å; W723-V728 HydrophobicContact CE3-CG2 4.24Å; W723-Y731 HydrophobicContact CH2-CD1 4.29Å; W723-Y731 HydrophobicContact CH2-CD2 4.07Å; W723-Y731 HydrophobicContact CH2-CE1 4.41Å; W723-Y731 HydrophobicContact CH2-CE2 4.21Å; W723-Y731 HydrophobicContact CH2-CG 4.1Å; W723-Y731 AromaticContact CZ3-CD1 3.68Å; W723-Y731 HydrophobicContact CZ3-CD1 3.68Å; W723-Y731 HydrophobicContact CZ3-CD2 4.05Å; W723-Y731 HydrophobicContact CZ3-CE1 4.16Å; W723-Y731 AromaticContact CZ3-CG 3.61Å; W723-Y731 HydrophobicContact CZ3-CG 3.61Å
724	T	93.2	Very high	83.8	Confident	35 Å²	35	73 Å²	73	22%	0.215	38%	0.384	C	S	.	.			trans	-70.9	160.5	169.5	77.3	0	0	0	0	110.8	D575 K577 T578 E726 T727 V728	D575-T724 WeakPolarHBondContact OD2-CB 3.46Å; D575-T724 VanDerWaalsContact OD2-CG2 3.31Å; D575-T724 WeakPolarHBondContact OD2-CG2 3.46Å; D575-T724 PolarHBondContact OD2-OG1 3.39Å; K577-T724 HydrophobicContact CB-CG2 4.5Å; K577-T724 HydrophobicContact CD-CG2 4.05Å; T578-T724 PolarHBondContact OG1-N 3.06Å; T724-E726 PolarHBondContact O-N 3.34Å; T724-E726 PolarHBondContact OG1-N 3.39Å; T724-T727 PolarHBondContact O-N 2.91Å; T724-T727 PolarHBondContact OG1-N 3.33Å; T724-T727 VanDerWaalsContact OG1-N 3.17Å; T724-V728 WeakPolarHBondContact O-CG2 3.41Å; T724-V728 PolarHBondContact O-N 3.48Å
725	S	92.6	Very high	85	Confident	96 Å²	96	69.8 Å²	69.8	67%	0.671	37%	0.367	S	S	*	.	H	α-helix	trans	-58.5	-30.8	173.2	-50	0	0	0	0	113	N729	S725-N729 PolarHBondContact O-N 2.95Å; S725-N729 PolarHBondContact O-ND2 3.27Å
726	E	93.8	Very high	86.2	Confident	104 Å²	104	71 Å²	71	49%	0.486	37%	0.372	S	S	.	.	H	α-helix	trans	-67.5	-49.5	177.2	-173.1	-173.9	160.4	0	0	111.1	T724 V728 N729 K730	T724-E726 PolarHBondContact O-N 3.34Å; T724-E726 PolarHBondContact OG1-N 3.39Å; E726-V728 VanDerWaalsContact C-N 3.3Å; E726-V728 PolarHBondContact O-N 3.41Å; E726-N729 PolarHBondContact O-N 2.96Å; E726-K730 HydrophobicContact CG-CD 4.41Å; E726-K730 PolarHBondContact O-N 3.07Å; E726-K730 VanDerWaalsContact O-N 3.08Å; E726-K730 WeakPolarHBondContact OE1-CE 3.45Å; E726-K730 IonicContact OE1-NZ 2.75Å; E726-K730 PolarHBondContact OE1-NZ 3.09Å
727	T	94.2	Very high	87.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-41.7	175.9	-71.9	0	0	0	0	111	W573 M574 D575 T578 W723 T724 N729 K730 Y731	W573-T727 HydrophobicContact CE3-CG2 3.9Å; W573-T727 HydrophobicContact CZ3-CG2 3.73Å; M574-T727 HydrophobicContact CB-CG2 4.33Å; M574-T727 HydrophobicContact CG-CG2 4.13Å; D575-T727 PolarHBondContact N-OG1 3.48Å; D575-T727 PolarHBondContact OD2-OG1 3.06Å; T578-T727 HydrophobicContact CG2-CG2 4.02Å; T578-T727 PolarHBondContact OG1-OG1 3.06Å; W723-T727 HydrophobicContact CB-CG2 4.25Å; W723-T727 HydrophobicContact CD2-CG2 4.07Å; W723-T727 HydrophobicContact CE3-CG2 4.06Å; W723-T727 HydrophobicContact CG-CG2 4.19Å; T724-T727 PolarHBondContact O-N 2.91Å; T724-T727 PolarHBondContact OG1-N 3.33Å; T724-T727 VanDerWaalsContact OG1-N 3.17Å; T727-N729 PolarHBondContact O-N 3.29Å; T727-K730 PolarHBondContact O-N 3.15Å; T727-Y731 VanDerWaalsContact O-CB 3.26Å; T727-Y731 WeakPolarHBondContact O-CB 3.18Å; T727-Y731 PolarHBondContact O-N 3.12Å
728	V	91.6	Very high	89.2	Confident	44 Å²	44	60.7 Å²	60.7	27%	0.267	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-47.7	176.7	171.1	0	0	0	0	111.1	W723 T724 E726 Y731 Q732	W723-V728 HydrophobicContact CB-CG2 3.93Å; W723-V728 HydrophobicContact CE3-CG2 4.24Å; T724-V728 WeakPolarHBondContact O-CG2 3.41Å; T724-V728 PolarHBondContact O-N 3.48Å; E726-V728 VanDerWaalsContact C-N 3.3Å; E726-V728 PolarHBondContact O-N 3.41Å; V728-Y731 PolarHBondContact O-N 3.16Å; V728-Q732 WeakPolarHBondContact O-CG 3.33Å; V728-Q732 PolarHBondContact O-N 2.92Å
729	N	93.1	Very high	90.6	Very high	104 Å²	104	56 Å²	56	56%	0.556	29%	0.289	S	S	*	.	H	α-helix	trans	-62.8	-47.8	-178.7	-71.2	-16.3	0	0	0	112	S725 E726 T727 Y731 Q732 E733	S725-N729 PolarHBondContact O-N 2.95Å; S725-N729 PolarHBondContact O-ND2 3.27Å; E726-N729 PolarHBondContact O-N 2.96Å; T727-N729 PolarHBondContact O-N 3.29Å; N729-Y731 VanDerWaalsContact C-N 3.34Å; N729-Y731 PolarHBondContact O-N 3.36Å; N729-Q732 PolarHBondContact O-N 3.05Å; N729-E733 PolarHBondContact O-N 3.19Å
730	K	93.5	Very high	91.7	Very high	75 Å²	75	57.2 Å²	57.2	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-41.2	177.6	-71.2	175.4	170.7	169.1	0	112	W573 E726 T727 Q732 E733 E734	W573-K730 HydrophobicContact CB-CB 3.86Å; W573-K730 WeakPolarHBondContact O-CB 3.35Å; W573-K730 WeakPolarHBondContact O-CD 3.29Å; E726-K730 HydrophobicContact CG-CD 4.41Å; E726-K730 PolarHBondContact O-N 3.07Å; E726-K730 VanDerWaalsContact O-N 3.08Å; E726-K730 WeakPolarHBondContact OE1-CE 3.45Å; E726-K730 IonicContact OE1-NZ 2.75Å; E726-K730 PolarHBondContact OE1-NZ 3.09Å; T727-K730 PolarHBondContact O-N 3.15Å; K730-Q732 VanDerWaalsContact C-N 3.34Å; K730-Q732 PolarHBondContact O-N 3.36Å; K730-E733 PolarHBondContact O-N 3.12Å; K730-E734 PolarHBondContact O-N 2.97Å
731	Y	93.2	Very high	92.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-39	175	178	-100.5	0	0	0	112.3	W573 E708 W723 T727 V728 N729 E733 E734 K735	W573-Y731 HydrophobicContact CD2-CD2 4.32Å; W573-Y731 HydrophobicContact CE3-CD2 4.13Å; W573-Y731 HydrophobicContact CE3-CG 4.49Å; W573-Y731 AromaticContact CH2-CD2 3.67Å; W573-Y731 HydrophobicContact CH2-CD2 3.67Å; W573-Y731 HydrophobicContact CH2-CE2 4.25Å; W573-Y731 AromaticContact CZ2-CD2 3.84Å; W573-Y731 HydrophobicContact CZ2-CD2 3.84Å; W573-Y731 HydrophobicContact CZ2-CE2 4.28Å; W573-Y731 AromaticContact CZ3-CD2 3.82Å; W573-Y731 HydrophobicContact CZ3-CD2 3.82Å; W573-Y731 HydrophobicContact CZ3-CG 4.26Å; E708-Y731 HydrophobicContact CB-CE1 4.06Å; E708-Y731 HydrophobicContact CG-CE1 3.72Å; W723-Y731 HydrophobicContact CH2-CD1 4.29Å; W723-Y731 HydrophobicContact CH2-CD2 4.07Å; W723-Y731 HydrophobicContact CH2-CE1 4.41Å; W723-Y731 HydrophobicContact CH2-CE2 4.21Å; W723-Y731 HydrophobicContact CH2-CG 4.1Å; W723-Y731 AromaticContact CZ3-CD1 3.68Å; W723-Y731 HydrophobicContact CZ3-CD1 3.68Å; W723-Y731 HydrophobicContact CZ3-CD2 4.05Å; W723-Y731 HydrophobicContact CZ3-CE1 4.16Å; W723-Y731 AromaticContact CZ3-CG 3.61Å; W723-Y731 HydrophobicContact CZ3-CG 3.61Å; T727-Y731 VanDerWaalsContact O-CB 3.26Å; T727-Y731 WeakPolarHBondContact O-CB 3.18Å; T727-Y731 PolarHBondContact O-N 3.12Å; V728-Y731 PolarHBondContact O-N 3.16Å; N729-Y731 VanDerWaalsContact C-N 3.34Å; N729-Y731 PolarHBondContact O-N 3.36Å; Y731-E733 VanDerWaalsContact C-N 3.3Å; Y731-E733 PolarHBondContact O-N 3.32Å; Y731-E734 PolarHBondContact O-N 3.48Å; Y731-K735 HydrophobicContact CE1-CB 4.3Å; Y731-K735 HydrophobicContact CE1-CD 3.86Å; Y731-K735 WeakPolarHBondContact O-CB 3.38Å; Y731-K735 PolarHBondContact O-N 3.28Å
732	Q	91.9	Very high	92.8	Very high	86 Å²	86	52.7 Å²	52.7	40%	0.402	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-34.5	176.7	-69	-56.6	-39.3	0	0	112.5	V728 N729 K730 K736	V728-Q732 WeakPolarHBondContact O-CG 3.33Å; V728-Q732 PolarHBondContact O-N 2.92Å; N729-Q732 PolarHBondContact O-N 3.05Å; K730-Q732 VanDerWaalsContact C-N 3.34Å; K730-Q732 PolarHBondContact O-N 3.36Å; Q732-K736 WeakPolarHBondContact O-CB 3.15Å; Q732-K736 PolarHBondContact O-N 3.41Å
733	E	92.4	Very high	93.1	Very high	143 Å²	143	54.3 Å²	54.3	67%	0.668	27%	0.273	S	S	*	.	H	α-helix	trans	-64.1	-48	175.1	-67.9	175.2	-176.5	0	0	111.5	N729 K730 Y731 K736 C737	N729-E733 PolarHBondContact O-N 3.19Å; K730-E733 PolarHBondContact O-N 3.12Å; Y731-E733 VanDerWaalsContact C-N 3.3Å; Y731-E733 PolarHBondContact O-N 3.32Å; E733-K736 PolarHBondContact O-N 2.8Å; E733-C737 PolarHBondContact O-N 2.98Å
734	E	92.3	Very high	93.1	Very high	56 Å²	56	58.1 Å²	58.1	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-42.2	176.9	-67.7	-64.2	166.5	0	0	111.9	W573 K730 Y731 K736 C737 V738 R875 A876	W573-E734 HydrophobicContact CB-CG 4.45Å; W573-E734 HydrophobicContact CG-CG 4.47Å; K730-E734 PolarHBondContact O-N 2.97Å; Y731-E734 PolarHBondContact O-N 3.48Å; E734-K736 VanDerWaalsContact C-N 3.29Å; E734-K736 PolarHBondContact O-N 3.33Å; E734-C737 VanDerWaalsContact O-CB 3.3Å; E734-C737 WeakPolarHBondContact O-CB 3.31Å; E734-C737 PolarHBondContact O-N 3.24Å; E734-V738 PolarHBondContact O-N 3.39Å; E734-R875 WeakPolarHBondContact OE2-CA 3.47Å; E734-R875 WeakPolarHBondContact OE2-CB 3.39Å; E734-R875 PolarHBondContact OE2-N 2.96Å; E734-A876 HydrophobicContact CB-CB 3.9Å
735	K	93.1	Very high	93.1	Very high	8 Å²	8	58 Å²	58	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-37	176.9	177	173.1	178.2	178.4	0	112.2	E708 Y731 C737 V738 Q739 T768 I772	E708-K735 VanDerWaalsContact CD-NZ 3.33Å; E708-K735 IonicContact OE1-NZ 2.96Å; E708-K735 PolarHBondContact OE1-NZ 3.04Å; E708-K735 IonicContact OE2-NZ 2.69Å; E708-K735 PolarHBondContact OE2-NZ 3.47Å; Y731-K735 HydrophobicContact CE1-CB 4.3Å; Y731-K735 HydrophobicContact CE1-CD 3.86Å; Y731-K735 WeakPolarHBondContact O-CB 3.38Å; Y731-K735 PolarHBondContact O-N 3.28Å; K735-C737 VanDerWaalsContact C-N 3.3Å; K735-C737 PolarHBondContact O-N 3.16Å; K735-V738 PolarHBondContact O-N 2.96Å; K735-Q739 WeakPolarHBondContact O-CB 3.43Å; K735-Q739 PolarHBondContact O-N 3.2Å; K735-T768 HydrophobicContact CG-CG2 3.97Å; K735-I772 HydrophobicContact CB-CD1 4.09Å; K735-I772 HydrophobicContact CD-CD1 4.38Å; K735-I772 HydrophobicContact CG-CD1 3.8Å
736	K	94	Very high	93.1	Very high	128 Å²	128	53.4 Å²	53.4	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-62.4	-38.1	177.3	-175.9	173.8	-180	174.9	0	111.8	Q732 E733 E734 V738 Q739 D740	Q732-K736 WeakPolarHBondContact O-CB 3.15Å; Q732-K736 PolarHBondContact O-N 3.41Å; E733-K736 PolarHBondContact O-N 2.8Å; E734-K736 VanDerWaalsContact C-N 3.29Å; E734-K736 PolarHBondContact O-N 3.33Å; K736-V738 VanDerWaalsContact C-N 3.33Å; K736-V738 PolarHBondContact O-N 3.34Å; K736-Q739 WeakPolarHBondContact O-CB 3.5Å; K736-Q739 PolarHBondContact O-N 3.23Å; K736-D740 VanDerWaalsContact O-CG 3.25Å; K736-D740 PolarHBondContact O-N 3.01Å
737	C	94.2	Very high	93	Very high	22 Å²	22	50.9 Å²	50.9	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-48.1	174.4	-179.1	0	0	0	0	111.6	E733 E734 K735 D740 Q741 C874	E733-C737 PolarHBondContact O-N 2.98Å; E734-C737 VanDerWaalsContact O-CB 3.3Å; E734-C737 WeakPolarHBondContact O-CB 3.31Å; E734-C737 PolarHBondContact O-N 3.24Å; K735-C737 VanDerWaalsContact C-N 3.3Å; K735-C737 PolarHBondContact O-N 3.16Å; C737-D740 PolarHBondContact O-N 2.69Å; C737-Q741 PolarHBondContact O-N 2.95Å; C737-C874 HydrophobicContact CB-CB 3.76Å; C737-C874 WeakPolarHBondContact CB-SG 3.28Å; C737-C874 PolarHBondContact O-SG 3.31Å; C737-C874 VanDerWaalsContact SG-CA 3.54Å; C737-C874 WeakPolarHBondContact SG-CB 3.34Å; C737-C874 CovalentContact SG-SG 2.04Å; C737-C874 PolarHBondContact SG-SG 3.49Å
738	V	94	Very high	93	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-42.2	177.8	179.1	0	0	0	0	110.9	E734 K735 K736 D740 Q741 I742 T768 V771 I772 C874 A876	E734-V738 PolarHBondContact O-N 3.39Å; K735-V738 PolarHBondContact O-N 2.96Å; K736-V738 VanDerWaalsContact C-N 3.33Å; K736-V738 PolarHBondContact O-N 3.34Å; V738-D740 VanDerWaalsContact C-N 3.34Å; V738-D740 PolarHBondContact O-N 3.13Å; V738-Q741 PolarHBondContact O-N 2.73Å; V738-I742 HydrophobicContact CG1-CG1 4.21Å; V738-I742 WeakPolarHBondContact O-CB 3.49Å; V738-I742 WeakPolarHBondContact O-CG1 3.38Å; V738-I742 PolarHBondContact O-N 3.31Å; V738-T768 HydrophobicContact CB-CG2 4.17Å; V738-T768 HydrophobicContact CG1-CG2 3.95Å; V738-V771 HydrophobicContact CG1-CB 4.47Å; V738-V771 HydrophobicContact CG1-CG1 4Å; V738-I772 HydrophobicContact CB-CD1 4.46Å; V738-I772 HydrophobicContact CB-CG1 4.37Å; V738-I772 HydrophobicContact CG1-CG1 4.05Å; V738-I772 HydrophobicContact CG2-CD1 4.49Å; V738-I772 HydrophobicContact CG2-CG1 4.24Å; V738-C874 HydrophobicContact CG2-CB 3.61Å; V738-C874 PolarHBondContact N-SG 3.08Å; V738-C874 VanDerWaalsContact N-SG 3.42Å; V738-A876 HydrophobicContact CG2-CB 3.67Å
739	Q	93.9	Very high	93.1	Very high	39 Å²	39	57.5 Å²	57.5	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-45.9	178.9	-170.6	-177.2	-19.1	0	0	111.8	K735 K736 I742 Y743 I764 T768	K735-Q739 WeakPolarHBondContact O-CB 3.43Å; K735-Q739 PolarHBondContact O-N 3.2Å; K736-Q739 WeakPolarHBondContact O-CB 3.5Å; K736-Q739 PolarHBondContact O-N 3.23Å; Q739-I742 PolarHBondContact O-N 2.97Å; Q739-Y743 VanDerWaalsContact O-CB 3.3Å; Q739-Y743 WeakPolarHBondContact O-CB 3.22Å; Q739-Y743 PolarHBondContact O-N 3.43Å; Q739-I764 HydrophobicContact CG-CG2 3.85Å; Q739-T768 WeakPolarHBondContact CA-OG1 3.3Å; Q739-T768 HydrophobicContact CB-CG2 4Å
740	D	93.5	Very high	93	Very high	84 Å²	84	53.8 Å²	53.8	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-43.7	-179.7	-66	-18	0	0	0	110.7	K736 C737 V738 Y743 D744	K736-D740 VanDerWaalsContact O-CG 3.25Å; K736-D740 PolarHBondContact O-N 3.01Å; C737-D740 PolarHBondContact O-N 2.69Å; V738-D740 VanDerWaalsContact C-N 3.34Å; V738-D740 PolarHBondContact O-N 3.13Å; D740-Y743 WeakPolarHBondContact O-CB 3.38Å; D740-Y743 PolarHBondContact O-N 2.77Å; D740-D744 PolarHBondContact O-N 3.21Å; D740-D744 VanDerWaalsContact O-N 3.1Å
741	Q	92.7	Very high	93	Very high	43 Å²	43	57.2 Å²	57.2	20%	0.201	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-42	176.5	-74.9	175	-26.2	0	0	112.8	C737 V738 D744 A745 H848 E852 C874	C737-Q741 PolarHBondContact O-N 2.95Å; V738-Q741 PolarHBondContact O-N 2.73Å; Q741-D744 PolarHBondContact O-N 3.02Å; Q741-A745 WeakPolarHBondContact O-CB 3.39Å; Q741-A745 PolarHBondContact O-N 3.39Å; Q741-H848 PolarHBondContact OE1-CE1 3.33Å; Q741-E852 PolarHBondContact NE2-OE1 2.86Å; Q741-E852 PolarHBondContact OE1-OE1 3.34Å; Q741-C874 PolarHBondContact OE1-SG 3.29Å
742	I	92.8	Very high	92.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.4	-35.4	178.9	-71.2	-66.3	0	0	0	111.6	V738 Q739 A745 S746 I767 V771 P840 V844 H848	V738-I742 HydrophobicContact CG1-CG1 4.21Å; V738-I742 WeakPolarHBondContact O-CB 3.49Å; V738-I742 WeakPolarHBondContact O-CG1 3.38Å; V738-I742 PolarHBondContact O-N 3.31Å; Q739-I742 PolarHBondContact O-N 2.97Å; I742-A745 PolarHBondContact O-N 3.38Å; I742-S746 VanDerWaalsContact O-CB 3.27Å; I742-S746 WeakPolarHBondContact O-CB 3.45Å; I742-S746 PolarHBondContact O-N 3.41Å; I742-S746 PolarHBondContact O-OG 3.08Å; I742-I767 HydrophobicContact CG2-CD1 3.67Å; I742-I767 HydrophobicContact CG2-CG1 3.88Å; I742-V771 HydrophobicContact CD1-CB 4.45Å; I742-V771 HydrophobicContact CD1-CG1 4.03Å; I742-V771 HydrophobicContact CD1-CG2 3.71Å; I742-V771 HydrophobicContact CG1-CB 4.49Å; I742-V771 HydrophobicContact CG1-CG1 4.24Å; I742-V771 HydrophobicContact CG1-CG2 4.01Å; I742-P840 HydrophobicContact CD1-CG 4.48Å; I742-V844 HydrophobicContact CD1-CG1 4.23Å; I742-H848 HydrophobicContact CD1-CB 3.85Å; I742-H848 VanDerWaalsContact CD1-CG 3.5Å; I742-H848 WeakPolarHBondContact CD1-ND1 3.26Å
743	Y	92.9	Very high	92.8	Very high	52 Å²	52	58 Å²	58	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-52.9	172.2	-178.3	-84.4	0	0	0	110.5	Q739 D740 S746 K747 M757 I764	Q739-Y743 VanDerWaalsContact O-CB 3.3Å; Q739-Y743 WeakPolarHBondContact O-CB 3.22Å; Q739-Y743 PolarHBondContact O-N 3.43Å; D740-Y743 WeakPolarHBondContact O-CB 3.38Å; D740-Y743 PolarHBondContact O-N 2.77Å; Y743-S746 PolarHBondContact O-N 3.47Å; Y743-K747 VanDerWaalsContact O-CB 3.31Å; Y743-K747 WeakPolarHBondContact O-CB 3.41Å; Y743-K747 PolarHBondContact O-N 2.94Å; Y743-M757 HydrophobicContact CD1-CE 4.23Å; Y743-M757 HydrophobicContact CD2-CE 3.63Å; Y743-M757 HydrophobicContact CE1-CB 4.2Å; Y743-M757 HydrophobicContact CE1-CE 4.34Å; Y743-M757 HydrophobicContact CE2-CB 3.69Å; Y743-M757 HydrophobicContact CE2-CE 3.77Å; Y743-M757 HydrophobicContact CG-CE 3.88Å; Y743-M757 VanDerWaalsContact CZ-CB 3.43Å; Y743-M757 VanDerWaalsContact O-CE 3.26Å; Y743-M757 WeakPolarHBondContact O-CE 3.06Å; Y743-M757 WeakPolarHBondContact OH-CB 3.41Å; Y743-I764 HydrophobicContact CD2-CG1 4.16Å; Y743-I764 HydrophobicContact CD2-CG2 4.39Å
744	D	92.7	Very high	92.7	Very high	90 Å²	90	55.8 Å²	55.8	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-41.8	-179.6	-72.7	-20.2	0	0	0	112.1	D740 Q741 K747 N748	D740-D744 PolarHBondContact O-N 3.21Å; D740-D744 VanDerWaalsContact O-N 3.1Å; Q741-D744 PolarHBondContact O-N 3.02Å; D744-K747 PolarHBondContact O-N 3.06Å; D744-N748 WeakPolarHBondContact O-CB 3.49Å; D744-N748 VanDerWaalsContact O-CG 3.24Å; D744-N748 PolarHBondContact O-N 2.99Å; D744-N748 PolarHBondContact O-ND2 2.74Å
745	A	93.1	Very high	92.5	Very high	33 Å²	33	59.6 Å²	59.6	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-45	178.5	0	0	0	0	0	112.2	Q741 I742 N748 Y749 V844	Q741-A745 WeakPolarHBondContact O-CB 3.39Å; Q741-A745 PolarHBondContact O-N 3.39Å; I742-A745 PolarHBondContact O-N 3.38Å; A745-N748 PolarHBondContact O-N 2.9Å; A745-Y749 WeakPolarHBondContact O-CB 3.22Å; A745-Y749 PolarHBondContact O-N 3.08Å; A745-V844 HydrophobicContact CB-CG1 3.69Å
746	S	91.4	Very high	92.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-39	178.8	-52.9	0	0	0	0	111.6	I742 Y743 N748 Y749 F750	I742-S746 VanDerWaalsContact O-CB 3.27Å; I742-S746 WeakPolarHBondContact O-CB 3.45Å; I742-S746 PolarHBondContact O-N 3.41Å; I742-S746 PolarHBondContact O-OG 3.08Å; Y743-S746 PolarHBondContact O-N 3.47Å; S746-N748 VanDerWaalsContact C-N 3.34Å; S746-N748 PolarHBondContact O-N 3.14Å; S746-Y749 PolarHBondContact O-N 3.18Å; S746-F750 WeakPolarHBondContact O-CD2 3.42Å; S746-F750 PolarHBondContact O-N 2.94Å; S746-F750 VanDerWaalsContact O-N 3.14Å
747	K	93.2	Very high	92	Very high	51 Å²	51	55.5 Å²	55.5	22%	0.222	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-48.3	174.2	179.8	-178.3	171	-177.3	0	111.3	Y743 D744 N751 F752 D754 M757	Y743-K747 VanDerWaalsContact O-CB 3.31Å; Y743-K747 WeakPolarHBondContact O-CB 3.41Å; Y743-K747 PolarHBondContact O-N 2.94Å; D744-K747 PolarHBondContact O-N 3.06Å; K747-N751 CarbonylContact O-C 3.55Å; K747-N751 VanDerWaalsContact O-CA 3.28Å; K747-N751 WeakPolarHBondContact O-CA 3.37Å; K747-N751 PolarHBondContact O-N 3.1Å; K747-F752 WeakPolarHBondContact CG-O 3.17Å; K747-F752 PolarHBondContact O-N 3.38Å; K747-D754 WeakPolarHBondContact CE-OD1 3.47Å; K747-D754 IonicContact NZ-OD1 3.08Å; K747-D754 PolarHBondContact NZ-OD1 2.79Å; K747-D754 IonicContact NZ-OD2 3.51Å; K747-M757 HydrophobicContact CB-CE 4.04Å; K747-M757 HydrophobicContact CB-CG 3.8Å; K747-M757 HydrophobicContact CB-SD 3.87Å; K747-M757 HydrophobicContact CD-CG 4.25Å; K747-M757 HydrophobicContact CG-CG 3.81Å; K747-M757 HydrophobicContact CG-SD 4.45Å
748	N	93.1	Very high	91.7	Very high	121 Å²	121	58 Å²	58	65%	0.647	31%	0.31	S	S	*	.	H	α-helix	trans	-68.8	-40.1	-179.1	-69.4	-25.4	0	0	0	111.9	D744 A745 S746 N751	D744-N748 WeakPolarHBondContact O-CB 3.49Å; D744-N748 VanDerWaalsContact O-CG 3.24Å; D744-N748 PolarHBondContact O-N 2.99Å; D744-N748 PolarHBondContact O-ND2 2.74Å; A745-N748 PolarHBondContact O-N 2.9Å; S746-N748 VanDerWaalsContact C-N 3.34Å; S746-N748 PolarHBondContact O-N 3.14Å; N748-N751 PolarHBondContact O-N 2.94Å
749	Y	93.3	Very high	91.3	Very high	62 Å²	62	62.1 Å²	62.1	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-49.9	-179.9	-173.3	-88.8	0	0	0	112.2	A745 S746 L826 E829 P841 E843 V844	A745-Y749 WeakPolarHBondContact O-CB 3.22Å; A745-Y749 PolarHBondContact O-N 3.08Å; S746-Y749 PolarHBondContact O-N 3.18Å; Y749-L826 HydrophobicContact CD1-CD2 4.45Å; Y749-L826 HydrophobicContact CE1-CD2 3.63Å; Y749-E829 WeakPolarHBondContact CE1-OE2 3.36Å; Y749-E829 PolarHBondContact OH-OE1 2.82Å; Y749-E829 PolarHBondContact OH-OE2 2.7Å; Y749-E829 VanDerWaalsContact OH-OE2 3.06Å; Y749-P841 HydrophobicContact CD1-CB 3.93Å; Y749-P841 HydrophobicContact CD1-CG 3.59Å; Y749-P841 HydrophobicContact CE1-CB 3.76Å; Y749-P841 HydrophobicContact CE1-CG 3.79Å; Y749-P841 HydrophobicContact CE2-CB 4.4Å; Y749-P841 HydrophobicContact CG-CB 4.35Å; Y749-P841 HydrophobicContact CG-CG 4.21Å; Y749-E843 HydrophobicContact CE2-CB 3.92Å; Y749-E843 HydrophobicContact CE2-CG 4.14Å; Y749-V844 HydrophobicContact CD2-CG2 3.68Å; Y749-V844 HydrophobicContact CG-CG2 3.73Å
750	F	91.7	Very high	90.9	Very high	26 Å²	26	60.4 Å²	60.4	11%	0.114	33%	0.331	C	S	.	.	H	α-helix	trans	-86.8	-3.4	178.9	-68.7	-68.4	0	0	0	114.4	S746 F752 L826 E829 M833 P841	S746-F750 WeakPolarHBondContact O-CD2 3.42Å; S746-F750 PolarHBondContact O-N 2.94Å; S746-F750 VanDerWaalsContact O-N 3.14Å; F750-F752 HydrophobicContact CB-CD1 3.66Å; F750-F752 HydrophobicContact CB-CD2 3.54Å; F750-F752 HydrophobicContact CB-CE1 3.55Å; F750-F752 HydrophobicContact CB-CE2 3.41Å; F750-F752 VanDerWaalsContact CB-CE2 3.41Å; F750-F752 HydrophobicContact CB-CG 3.66Å; F750-F752 HydrophobicContact CB-CZ 3.42Å; F750-F752 VanDerWaalsContact CB-CZ 3.42Å; F750-F752 HydrophobicContact CD1-CE2 4.37Å; F750-F752 HydrophobicContact CD1-CZ 4.01Å; F750-F752 HydrophobicContact CD2-CD2 4.07Å; F750-F752 AromaticContact CD2-CE2 3.49Å; F750-F752 HydrophobicContact CD2-CE2 3.49Å; F750-F752 VanDerWaalsContact CD2-CE2 3.49Å; F750-F752 AromaticContact CD2-CZ 3.98Å; F750-F752 HydrophobicContact CD2-CZ 3.98Å; F750-F752 HydrophobicContact CE2-CE2 4.31Å; F750-F752 HydrophobicContact CG-CD2 4.09Å; F750-F752 HydrophobicContact CG-CE1 4.16Å; F750-F752 AromaticContact CG-CE2 3.52Å; F750-F752 HydrophobicContact CG-CE2 3.52Å; F750-F752 AromaticContact CG-CZ 3.55Å; F750-F752 HydrophobicContact CG-CZ 3.55Å; F750-F752 PolarHBondContact O-N 2.74Å; F750-L826 HydrophobicContact CD1-CD2 4.43Å; F750-L826 HydrophobicContact CE1-CD2 4.42Å; F750-E829 HydrophobicContact CE1-CB 4.39Å; F750-E829 HydrophobicContact CZ-CB 4.3Å; F750-M833 HydrophobicContact CE2-SD 3.72Å; F750-M833 HydrophobicContact CZ-SD 4.39Å; F750-P841 HydrophobicContact CD2-CG 4.37Å; F750-P841 HydrophobicContact CE1-CG 4.43Å; F750-P841 HydrophobicContact CE2-CG 3.39Å; F750-P841 HydrophobicContact CZ-CG 3.43Å; F750-P841 VanDerWaalsContact CZ-CG 3.43Å
751	N	93.3	Very high	90.5	Very high	146 Å²	146	58.6 Å²	58.6	78%	0.781	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	42.2	-170.6	-168.1	33	0	0	0	112.7	K747 N748	K747-N751 CarbonylContact O-C 3.55Å; K747-N751 VanDerWaalsContact O-CA 3.28Å; K747-N751 WeakPolarHBondContact O-CA 3.37Å; K747-N751 PolarHBondContact O-N 3.1Å; N748-N751 PolarHBondContact O-N 2.94Å
752	F	91	Very high	90	Very high	45 Å²	45	60.5 Å²	60.5	20%	0.197	34%	0.337	C	S	.	.			trans	-77	146.8	-178.6	-72.5	-26.2	0	0	0	112.6	K747 F750 V756 M757 M760 Y830	K747-F752 WeakPolarHBondContact CG-O 3.17Å; K747-F752 PolarHBondContact O-N 3.38Å; F750-F752 HydrophobicContact CB-CD1 3.66Å; F750-F752 HydrophobicContact CB-CD2 3.54Å; F750-F752 HydrophobicContact CB-CE1 3.55Å; F750-F752 HydrophobicContact CB-CE2 3.41Å; F750-F752 VanDerWaalsContact CB-CE2 3.41Å; F750-F752 HydrophobicContact CB-CG 3.66Å; F750-F752 HydrophobicContact CB-CZ 3.42Å; F750-F752 VanDerWaalsContact CB-CZ 3.42Å; F750-F752 HydrophobicContact CD1-CE2 4.37Å; F750-F752 HydrophobicContact CD1-CZ 4.01Å; F750-F752 HydrophobicContact CD2-CD2 4.07Å; F750-F752 AromaticContact CD2-CE2 3.49Å; F750-F752 HydrophobicContact CD2-CE2 3.49Å; F750-F752 VanDerWaalsContact CD2-CE2 3.49Å; F750-F752 AromaticContact CD2-CZ 3.98Å; F750-F752 HydrophobicContact CD2-CZ 3.98Å; F750-F752 HydrophobicContact CE2-CE2 4.31Å; F750-F752 HydrophobicContact CG-CD2 4.09Å; F750-F752 HydrophobicContact CG-CE1 4.16Å; F750-F752 AromaticContact CG-CE2 3.52Å; F750-F752 HydrophobicContact CG-CE2 3.52Å; F750-F752 AromaticContact CG-CZ 3.55Å; F750-F752 HydrophobicContact CG-CZ 3.55Å; F750-F752 PolarHBondContact O-N 2.74Å; F752-V756 HydrophobicContact CB-CB 4.29Å; F752-V756 HydrophobicContact CB-CG1 4.2Å; F752-V756 HydrophobicContact CD1-CG1 4.09Å; F752-V756 HydrophobicContact CD2-CG1 4.07Å; F752-V756 HydrophobicContact CE1-CG1 4.47Å; F752-V756 HydrophobicContact CE2-CG1 4.46Å; F752-V756 HydrophobicContact CG-CB 4.48Å; F752-V756 HydrophobicContact CG-CG1 3.87Å; F752-M757 HydrophobicContact CB-CG 3.88Å; F752-M757 HydrophobicContact CB-SD 3.95Å; F752-M757 HydrophobicContact CD2-SD 3.75Å; F752-M757 HydrophobicContact CG-SD 4.37Å; F752-M760 HydrophobicContact CD2-SD 4.08Å; F752-M760 HydrophobicContact CE2-CE 4.22Å; F752-M760 HydrophobicContact CE2-SD 3.88Å; F752-Y830 HydrophobicContact CE2-CD2 4.05Å; F752-Y830 HydrophobicContact CE2-CE2 4.11Å; F752-Y830 AromaticContact CZ-CD2 3.7Å; F752-Y830 HydrophobicContact CZ-CD2 3.7Å; F752-Y830 AromaticContact CZ-CE2 3.88Å; F752-Y830 HydrophobicContact CZ-CE2 3.88Å
753	S	91.2	Very high	89.6	Confident	63 Å²	63	62.1 Å²	62.1	44%	0.441	35%	0.345	S	S	.	.			trans	-73.4	159	169.7	71.1	0	0	0	0	111.5	I755 V756 M757	S753-I755 PolarHBondContact O-N 3.02Å; S753-V756 PolarHBondContact O-N 3.47Å; S753-V756 VanDerWaalsContact O-N 3.13Å; S753-V756 PolarHBondContact OG-N 3.37Å; S753-M757 PolarHBondContact O-N 3.24Å
754	D	89.1	Confident	89.4	Confident	95 Å²	95	59.6 Å²	59.6	51%	0.508	34%	0.335	S	S	.	.	H	α-helix	trans	-57.7	-31.9	175.9	-70	-43.8	0	0	0	112.9	K747 S758	K747-D754 WeakPolarHBondContact CE-OD1 3.47Å; K747-D754 IonicContact NZ-OD1 3.08Å; K747-D754 PolarHBondContact NZ-OD1 2.79Å; K747-D754 IonicContact NZ-OD2 3.51Å; D754-S758 VanDerWaalsContact O-CB 3.29Å; D754-S758 WeakPolarHBondContact O-CB 3.41Å; D754-S758 PolarHBondContact O-N 2.82Å; D754-S758 PolarHBondContact O-OG 3.49Å
755	I	89.4	Confident	89.2	Confident	136 Å²	136	59.3 Å²	59.3	70%	0.697	33%	0.33	S	S	*	.	H	α-helix	trans	-64.6	-48.1	177.6	-62.6	173.1	0	0	0	110.1	S753 S758 S759	S753-I755 PolarHBondContact O-N 3.02Å; I755-S758 PolarHBondContact O-N 3.41Å; I755-S758 PolarHBondContact O-OG 2.92Å; I755-S759 PolarHBondContact O-N 2.92Å
756	V	87.8	Confident	88.7	Confident	50 Å²	50	59.1 Å²	59.1	30%	0.303	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-48.5	178.3	174.9	0	0	0	0	110	F752 S753 S758 S759 M760	F752-V756 HydrophobicContact CB-CB 4.29Å; F752-V756 HydrophobicContact CB-CG1 4.2Å; F752-V756 HydrophobicContact CD1-CG1 4.09Å; F752-V756 HydrophobicContact CD2-CG1 4.07Å; F752-V756 HydrophobicContact CE1-CG1 4.47Å; F752-V756 HydrophobicContact CE2-CG1 4.46Å; F752-V756 HydrophobicContact CG-CB 4.48Å; F752-V756 HydrophobicContact CG-CG1 3.87Å; S753-V756 PolarHBondContact O-N 3.47Å; S753-V756 VanDerWaalsContact O-N 3.13Å; S753-V756 PolarHBondContact OG-N 3.37Å; V756-S758 VanDerWaalsContact C-N 3.29Å; V756-S758 PolarHBondContact O-N 2.99Å; V756-S759 PolarHBondContact O-N 2.8Å; V756-S759 PolarHBondContact O-OG 3.48Å; V756-M760 HydrophobicContact CG1-SD 4.02Å; V756-M760 WeakPolarHBondContact O-CG 3.32Å; V756-M760 PolarHBondContact O-N 3.37Å
757	M	88.1	Confident	88.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-36.3	178.8	-70.4	-60.4	-58.4	0	0	113	Y743 K747 F752 S753 S759 M760 S761 I764	Y743-M757 HydrophobicContact CD1-CE 4.23Å; Y743-M757 HydrophobicContact CD2-CE 3.63Å; Y743-M757 HydrophobicContact CE1-CB 4.2Å; Y743-M757 HydrophobicContact CE1-CE 4.34Å; Y743-M757 HydrophobicContact CE2-CB 3.69Å; Y743-M757 HydrophobicContact CE2-CE 3.77Å; Y743-M757 HydrophobicContact CG-CE 3.88Å; Y743-M757 VanDerWaalsContact CZ-CB 3.43Å; Y743-M757 VanDerWaalsContact O-CE 3.26Å; Y743-M757 WeakPolarHBondContact O-CE 3.06Å; Y743-M757 WeakPolarHBondContact OH-CB 3.41Å; K747-M757 HydrophobicContact CB-CE 4.04Å; K747-M757 HydrophobicContact CB-CG 3.8Å; K747-M757 HydrophobicContact CB-SD 3.87Å; K747-M757 HydrophobicContact CD-CG 4.25Å; K747-M757 HydrophobicContact CG-CG 3.81Å; K747-M757 HydrophobicContact CG-SD 4.45Å; F752-M757 HydrophobicContact CB-CG 3.88Å; F752-M757 HydrophobicContact CB-SD 3.95Å; F752-M757 HydrophobicContact CD2-SD 3.75Å; F752-M757 HydrophobicContact CG-SD 4.37Å; S753-M757 PolarHBondContact O-N 3.24Å; M757-S759 VanDerWaalsContact C-N 3.33Å; M757-S759 PolarHBondContact O-N 3.48Å; M757-M760 PolarHBondContact O-N 3.18Å; M757-M760 VanDerWaalsContact O-N 3.17Å; M757-S761 PolarHBondContact O-N 2.86Å; M757-I764 HydrophobicContact CE-CD1 3.93Å; M757-I764 HydrophobicContact CE-CG1 4.28Å
758	S	87.4	Confident	88.5	Confident	74 Å²	74	56.7 Å²	56.7	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-36.9	175.5	75.8	0	0	0	0	112.6	D754 I755 V756 M760 S761	D754-S758 VanDerWaalsContact O-CB 3.29Å; D754-S758 WeakPolarHBondContact O-CB 3.41Å; D754-S758 PolarHBondContact O-N 2.82Å; D754-S758 PolarHBondContact O-OG 3.49Å; I755-S758 PolarHBondContact O-N 3.41Å; I755-S758 PolarHBondContact O-OG 2.92Å; V756-S758 VanDerWaalsContact C-N 3.29Å; V756-S758 PolarHBondContact O-N 2.99Å; S758-M760 PolarHBondContact O-N 2.88Å; S758-S761 WeakPolarHBondContact O-CB 3.47Å; S758-S761 PolarHBondContact O-N 3.5Å
759	S	86.5	Confident	88.2	Confident	94 Å²	94	51.9 Å²	51.9	66%	0.657	29%	0.285	S	S	*	.	H	α-helix	trans	-68.9	-19.8	175.7	74.2	0	0	0	0	113.2	I755 V756 M757	I755-S759 PolarHBondContact O-N 2.92Å; V756-S759 PolarHBondContact O-N 2.8Å; V756-S759 PolarHBondContact O-OG 3.48Å; M757-S759 VanDerWaalsContact C-N 3.33Å; M757-S759 PolarHBondContact O-N 3.48Å
760	M	84.9	Confident	87.9	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8	179.6	-62.4	175	71.7	0	0	113.3	F752 V756 M757 S758 D762 D763 I764 Y830 M833 I834	F752-M760 HydrophobicContact CD2-SD 4.08Å; F752-M760 HydrophobicContact CE2-CE 4.22Å; F752-M760 HydrophobicContact CE2-SD 3.88Å; V756-M760 HydrophobicContact CG1-SD 4.02Å; V756-M760 WeakPolarHBondContact O-CG 3.32Å; V756-M760 PolarHBondContact O-N 3.37Å; M757-M760 PolarHBondContact O-N 3.18Å; M757-M760 VanDerWaalsContact O-N 3.17Å; S758-M760 PolarHBondContact O-N 2.88Å; M760-D762 VanDerWaalsContact C-N 3.25Å; M760-D762 PolarHBondContact O-N 3.27Å; M760-D762 VanDerWaalsContact O-N 3.15Å; M760-D763 PolarHBondContact O-N 2.96Å; M760-I764 WeakPolarHBondContact O-CG1 3.43Å; M760-I764 PolarHBondContact O-N 3.29Å; M760-Y830 HydrophobicContact CE-CD2 4.3Å; M760-Y830 HydrophobicContact CE-CE2 3.71Å; M760-Y830 HydrophobicContact SD-CE2 4.08Å; M760-M833 HydrophobicContact CE-CE 3.63Å; M760-M833 HydrophobicContact CE-SD 3.81Å; M760-I834 HydrophobicContact CE-CG2 3.96Å
761	S	84.8	Confident	87.9	Confident	46 Å²	46	48.1 Å²	48.1	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-54.8	-38.5	-173.4	-173.1	0	0	0	0	113.6	M757 S758 K765	M757-S761 PolarHBondContact O-N 2.86Å; S758-S761 WeakPolarHBondContact O-CB 3.47Å; S758-S761 PolarHBondContact O-N 3.5Å; S761-K765 WeakPolarHBondContact O-CG 3.45Å; S761-K765 PolarHBondContact O-N 2.72Å
762	D	83	Confident	87.9	Confident	84 Å²	84	41.5 Å²	41.5	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-73.3	-31.5	177.8	-71.4	-27.2	0	0	0	112.9	M760 K765 K766	M760-D762 VanDerWaalsContact C-N 3.25Å; M760-D762 PolarHBondContact O-N 3.27Å; M760-D762 VanDerWaalsContact O-N 3.15Å; D762-K765 PolarHBondContact O-N 2.8Å; D762-K765 IonicContact OD1-NZ 3.9Å; D762-K765 PolarHBondContact OD1-NZ 3.19Å; D762-K766 WeakPolarHBondContact O-CG 3.44Å; D762-K766 PolarHBondContact O-N 3.1Å
763	D	84.2	Confident	87.9	Confident	33 Å²	33	39.5 Å²	39.5	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-71.9	-40.5	174.1	-60.8	-41.8	0	0	0	110.8	M760 K765 K766 I767	M760-D763 PolarHBondContact O-N 2.96Å; D763-K765 VanDerWaalsContact C-N 3.26Å; D763-K765 PolarHBondContact O-N 2.97Å; D763-K766 WeakPolarHBondContact O-CB 3.44Å; D763-K766 PolarHBondContact O-N 2.85Å; D763-K766 IonicContact OD1-NZ 3.93Å; D763-K766 PolarHBondContact OD1-NZ 3.31Å; D763-I767 WeakPolarHBondContact O-CG2 3.3Å; D763-I767 PolarHBondContact O-N 3.45Å
764	I	89.5	Confident	88	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.7	-38.9	172.3	-63.7	-61.9	0	0	0	111.5	Q739 Y743 M757 M760 K766 I767 T768 M833	Q739-I764 HydrophobicContact CG-CG2 3.85Å; Y743-I764 HydrophobicContact CD2-CG1 4.16Å; Y743-I764 HydrophobicContact CD2-CG2 4.39Å; M757-I764 HydrophobicContact CE-CD1 3.93Å; M757-I764 HydrophobicContact CE-CG1 4.28Å; M760-I764 WeakPolarHBondContact O-CG1 3.43Å; M760-I764 PolarHBondContact O-N 3.29Å; I764-K766 VanDerWaalsContact C-N 3.35Å; I764-K766 PolarHBondContact O-N 2.78Å; I764-I767 HydrophobicContact CD1-CD1 3.61Å; I764-I767 WeakPolarHBondContact O-CG1 3.15Å; I764-T768 WeakPolarHBondContact O-CB 3.38Å; I764-T768 PolarHBondContact O-N 3.04Å; I764-T768 PolarHBondContact O-OG1 3.3Å; I764-M833 HydrophobicContact CD1-CE 3.66Å
765	K	86.9	Confident	88.3	Confident	83 Å²	83	32.6 Å²	32.6	36%	0.361	19%	0.186	S	C	.	.	H	α-helix	trans	-63.6	-38.7	174.6	-69.7	170.3	-163.5	157.2	0	112.5	S761 D762 D763	S761-K765 WeakPolarHBondContact O-CG 3.45Å; S761-K765 PolarHBondContact O-N 2.72Å; D762-K765 PolarHBondContact O-N 2.8Å; D762-K765 IonicContact OD1-NZ 3.9Å; D762-K765 PolarHBondContact OD1-NZ 3.19Å; D763-K765 VanDerWaalsContact C-N 3.26Å; D763-K765 PolarHBondContact O-N 2.97Å
766	K	83	Confident	88.5	Confident	30 Å²	30	26.2 Å²	26.2	13%	0.13	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-48.4	179	-64	163.6	-168.6	160.3	0	110.5	G180 D762 D763 I764 T768 R769 P838	G180-K766 WeakPolarHBondContact O-CE 3.28Å; D762-K766 WeakPolarHBondContact O-CG 3.44Å; D762-K766 PolarHBondContact O-N 3.1Å; D763-K766 WeakPolarHBondContact O-CB 3.44Å; D763-K766 PolarHBondContact O-N 2.85Å; D763-K766 IonicContact OD1-NZ 3.93Å; D763-K766 PolarHBondContact OD1-NZ 3.31Å; I764-K766 VanDerWaalsContact C-N 3.35Å; I764-K766 PolarHBondContact O-N 2.78Å; K766-T768 VanDerWaalsContact C-N 3.31Å; K766-T768 PolarHBondContact O-N 3.12Å; K766-R769 WeakPolarHBondContact O-CB 3.22Å; K766-R769 PolarHBondContact O-N 2.97Å; K766-R769 VanDerWaalsContact O-N 3.16Å; K766-P838 HydrophobicContact CB-CB 3.87Å; K766-P838 HydrophobicContact CD-CB 4.48Å; K766-P838 HydrophobicContact CD-CG 4.46Å
767	I	88.1	Confident	88.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-33.9	-178.7	78.8	-174.9	0	0	0	111.9	I742 D763 I764 R769 S770 V771 M833 P838 P840	I742-I767 HydrophobicContact CG2-CD1 3.67Å; I742-I767 HydrophobicContact CG2-CG1 3.88Å; D763-I767 WeakPolarHBondContact O-CG2 3.3Å; D763-I767 PolarHBondContact O-N 3.45Å; I764-I767 HydrophobicContact CD1-CD1 3.61Å; I764-I767 WeakPolarHBondContact O-CG1 3.15Å; I767-R769 PolarHBondContact O-N 3.16Å; I767-S770 WeakPolarHBondContact O-CA 3.42Å; I767-S770 WeakPolarHBondContact O-CB 3.41Å; I767-S770 PolarHBondContact O-N 2.99Å; I767-V771 WeakPolarHBondContact O-CG2 3.43Å; I767-V771 PolarHBondContact O-N 3.09Å; I767-M833 HydrophobicContact CD1-CE 3.47Å; I767-M833 VanDerWaalsContact CD1-CE 3.47Å; I767-M833 HydrophobicContact CG2-CG 4.24Å; I767-P838 VanDerWaalsContact CG2-C 3.49Å; I767-P838 HydrophobicContact CG2-CB 4.09Å; I767-P840 HydrophobicContact CD1-CB 4.04Å
768	T	91.5	Very high	89.2	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-55.5	-38.5	174.7	-62.3	0	0	0	0	111.5	K735 V738 Q739 I764 K766 S770 V771 I772	K735-T768 HydrophobicContact CG-CG2 3.97Å; V738-T768 HydrophobicContact CB-CG2 4.17Å; V738-T768 HydrophobicContact CG1-CG2 3.95Å; Q739-T768 WeakPolarHBondContact CA-OG1 3.3Å; Q739-T768 HydrophobicContact CB-CG2 4Å; I764-T768 WeakPolarHBondContact O-CB 3.38Å; I764-T768 PolarHBondContact O-N 3.04Å; I764-T768 PolarHBondContact O-OG1 3.3Å; K766-T768 VanDerWaalsContact C-N 3.31Å; K766-T768 PolarHBondContact O-N 3.12Å; T768-S770 VanDerWaalsContact C-N 3.33Å; T768-S770 PolarHBondContact O-N 2.9Å; T768-V771 PolarHBondContact O-N 3Å; T768-I772 HydrophobicContact CG2-CD1 4.06Å; T768-I772 WeakPolarHBondContact O-CG1 3.49Å; T768-I772 PolarHBondContact O-N 3.02Å; T768-I772 VanDerWaalsContact O-N 3.12Å
769	R	87.6	Confident	89.5	Confident	19 Å²	19	21.5 Å²	21.5	7%	0.072	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.7	-60	-175.3	175	129.2	2.4	110.9	K181 D182 E708 Y709 K766 I767 V771 I772 N773	K181-R769 PolarHBondContact O-NH1 3.1Å; K181-R769 VanDerWaalsContact O-NH1 3.11Å; D182-R769 PolarHBondContact O-NH2 2.79Å; E708-R769 IonicContact OE1-CZ 3.95Å; E708-R769 IonicContact OE1-NE 2.78Å; E708-R769 PolarHBondContact OE1-NE 3.41Å; E708-R769 VanDerWaalsContact OE1-NE 3.13Å; E708-R769 IonicContact OE1-NH2 3.88Å; E708-R769 WeakPolarHBondContact OE2-CD 3.15Å; E708-R769 VanDerWaalsContact OE2-CG 3.29Å; E708-R769 WeakPolarHBondContact OE2-CG 3.46Å; E708-R769 IonicContact OE2-NE 3.15Å; E708-R769 PolarHBondContact OE2-NE 2.99Å; Y709-R769 HydrophobicContact CE2-CB 4.21Å; Y709-R769 VanDerWaalsContact OH-CD 3.3Å; Y709-R769 WeakPolarHBondContact OH-CD 3.17Å; K766-R769 WeakPolarHBondContact O-CB 3.22Å; K766-R769 PolarHBondContact O-N 2.97Å; K766-R769 VanDerWaalsContact O-N 3.16Å; I767-R769 PolarHBondContact O-N 3.16Å; R769-V771 VanDerWaalsContact C-N 3.33Å; R769-V771 PolarHBondContact O-N 3.03Å; R769-I772 PolarHBondContact O-N 2.95Å; R769-N773 WeakPolarHBondContact O-CB 3.15Å; R769-N773 PolarHBondContact O-N 3.41Å; R769-N773 VanDerWaalsContact O-N 3.08Å; R769-N773 PolarHBondContact O-ND2 3.06Å
770	S	86.7	Confident	90	Very high	9 Å²	9	17 Å²	17	6%	0.063	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-40.1	179.4	-161.6	0	0	0	0	112.1	I767 T768 N773 E774 Q839	I767-S770 WeakPolarHBondContact O-CA 3.42Å; I767-S770 WeakPolarHBondContact O-CB 3.41Å; I767-S770 PolarHBondContact O-N 2.99Å; T768-S770 VanDerWaalsContact C-N 3.33Å; T768-S770 PolarHBondContact O-N 2.9Å; S770-N773 PolarHBondContact O-N 2.89Å; S770-E774 WeakPolarHBondContact O-CG 3.25Å; S770-E774 PolarHBondContact O-N 3.36Å; S770-Q839 WeakPolarHBondContact OG-CG 3.4Å; S770-Q839 PolarHBondContact OG-NE2 3.05Å
771	V	92.4	Very high	90.6	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-48.3	177.1	175.3	0	0	0	0	111.2	V738 I742 I767 T768 R769 N773 E774 A775 P840 L845 H848	V738-V771 HydrophobicContact CG1-CB 4.47Å; V738-V771 HydrophobicContact CG1-CG1 4Å; I742-V771 HydrophobicContact CD1-CB 4.45Å; I742-V771 HydrophobicContact CD1-CG1 4.03Å; I742-V771 HydrophobicContact CD1-CG2 3.71Å; I742-V771 HydrophobicContact CG1-CB 4.49Å; I742-V771 HydrophobicContact CG1-CG1 4.24Å; I742-V771 HydrophobicContact CG1-CG2 4.01Å; I767-V771 WeakPolarHBondContact O-CG2 3.43Å; I767-V771 PolarHBondContact O-N 3.09Å; T768-V771 PolarHBondContact O-N 3Å; R769-V771 VanDerWaalsContact C-N 3.33Å; R769-V771 PolarHBondContact O-N 3.03Å; V771-N773 VanDerWaalsContact C-N 3.29Å; V771-N773 PolarHBondContact O-N 3.16Å; V771-E774 PolarHBondContact O-N 3.44Å; V771-A775 WeakPolarHBondContact O-CB 3.31Å; V771-A775 PolarHBondContact O-N 3.18Å; V771-P840 HydrophobicContact CG2-CG 3.64Å; V771-L845 HydrophobicContact CB-CD1 4.2Å; V771-L845 HydrophobicContact CG2-CD1 3.67Å; V771-H848 WeakPolarHBondContact CG1-CD2 3.22Å
772	I	93.1	Very high	91.1	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.031	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-40.3	178.4	-65.7	168.3	0	0	0	111.1	K735 V738 T768 R769 S776 A876	K735-I772 HydrophobicContact CB-CD1 4.09Å; K735-I772 HydrophobicContact CD-CD1 4.38Å; K735-I772 HydrophobicContact CG-CD1 3.8Å; V738-I772 HydrophobicContact CB-CD1 4.46Å; V738-I772 HydrophobicContact CB-CG1 4.37Å; V738-I772 HydrophobicContact CG1-CG1 4.05Å; V738-I772 HydrophobicContact CG2-CD1 4.49Å; V738-I772 HydrophobicContact CG2-CG1 4.24Å; T768-I772 HydrophobicContact CG2-CD1 4.06Å; T768-I772 WeakPolarHBondContact O-CG1 3.49Å; T768-I772 PolarHBondContact O-N 3.02Å; T768-I772 VanDerWaalsContact O-N 3.12Å; R769-I772 PolarHBondContact O-N 2.95Å; I772-S776 WeakPolarHBondContact O-CB 3.5Å; I772-S776 PolarHBondContact O-N 3.47Å; I772-S776 PolarHBondContact O-OG 3.26Å; I772-A876 HydrophobicContact CD1-CB 3.82Å; I772-A876 HydrophobicContact CG1-CB 4.01Å; I772-A876 HydrophobicContact CG2-CB 4.44Å; I772-A876 WeakPolarHBondContact CG2-O 3.4Å
773	N	91.4	Very high	91.7	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-65.8	-45	-179.9	-69.2	-27.6	0	0	0	112.3	I704 R769 S770 V771 G777	I704-N773 HydrophobicContact CD1-CB 4.1Å; I704-N773 HydrophobicContact CG1-CB 3.59Å; I704-N773 VanDerWaalsContact CG1-CG 3.41Å; I704-N773 WeakPolarHBondContact CG1-ND2 3.48Å; R769-N773 WeakPolarHBondContact O-CB 3.15Å; R769-N773 PolarHBondContact O-N 3.41Å; R769-N773 VanDerWaalsContact O-N 3.08Å; R769-N773 PolarHBondContact O-ND2 3.06Å; S770-N773 PolarHBondContact O-N 2.89Å; V771-N773 VanDerWaalsContact C-N 3.29Å; V771-N773 PolarHBondContact O-N 3.16Å; N773-G777 PolarHBondContact O-N 2.86Å
774	E	92.8	Very high	92.3	Very high	6 Å²	6	11 Å²	11	3%	0.028	5%	0.053	C	C	.	.	H	α-helix	trans	-67.4	-40.7	176.7	-74.2	-75.2	168.7	0	0	111.6	R201 T700 S770 V771 G777 L778 Y816 L845 I849	R201-E774 IonicContact CZ-OE2 3.83Å; R201-E774 IonicContact NE-OE2 2.69Å; R201-E774 IonicContact NH2-OE2 2.85Å; R201-E774 PolarHBondContact NH2-OE2 3.31Å; T700-E774 HydrophobicContact CG2-CG 4.24Å; T700-E774 PolarHBondContact OG1-OE2 2.98Å; S770-E774 WeakPolarHBondContact O-CG 3.25Å; S770-E774 PolarHBondContact O-N 3.36Å; V771-E774 PolarHBondContact O-N 3.44Å; E774-G777 PolarHBondContact O-N 2.87Å; E774-L778 WeakPolarHBondContact O-CB 3.47Å; E774-L778 PolarHBondContact O-N 3.33Å; E774-Y816 PolarHBondContact OE2-OH 2.94Å; E774-L845 HydrophobicContact CB-CD1 4.48Å; E774-L845 HydrophobicContact CG-CD2 4.47Å; E774-I849 HydrophobicContact CB-CD1 3.45Å; E774-I849 VanDerWaalsContact CB-CD1 3.45Å
775	A	94.5	Very high	92.6	Very high	7 Å²	7	11.1 Å²	11.1	6%	0.058	5%	0.054	C	C	.	.	H	α-helix	trans	-60.1	-48.4	175.1	0	0	0	0	0	111.8	V771 G777 L778 D779 I849 A877	V771-A775 WeakPolarHBondContact O-CB 3.31Å; V771-A775 PolarHBondContact O-N 3.18Å; A775-G777 VanDerWaalsContact C-N 3.32Å; A775-G777 PolarHBondContact O-N 3.32Å; A775-L778 PolarHBondContact O-N 3.42Å; A775-D779 PolarHBondContact O-N 3.25Å; A775-I849 HydrophobicContact CB-CG1 4.14Å; A775-I849 HydrophobicContact CB-CG2 4.31Å; A775-A877 HydrophobicContact CB-CB 4.13Å
776	S	93.8	Very high	92.9	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-60.6	-43.6	176.1	-55.1	0	0	0	0	111.1	I772 D779 I780 A877 L878	I772-S776 WeakPolarHBondContact O-CB 3.5Å; I772-S776 PolarHBondContact O-N 3.47Å; I772-S776 PolarHBondContact O-OG 3.26Å; S776-D779 PolarHBondContact O-N 3.29Å; S776-I780 WeakPolarHBondContact O-CD1 3.47Å; S776-I780 WeakPolarHBondContact O-CG1 3.44Å; S776-I780 PolarHBondContact O-N 2.95Å; S776-A877 WeakPolarHBondContact OG-CA 3.26Å; S776-L878 PolarHBondContact OG-N 2.98Å
777	G	94.6	Very high	93.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.6	-41.3	-179.9	0	0	0	0	0	113.6	G699 N773 E774 A775 A781	G699-G777 WeakPolarHBondContact O-CA 3.43Å; N773-G777 PolarHBondContact O-N 2.86Å; E774-G777 PolarHBondContact O-N 2.87Å; A775-G777 VanDerWaalsContact C-N 3.32Å; A775-G777 PolarHBondContact O-N 3.32Å; G777-A781 WeakPolarHBondContact O-CB 3.14Å; G777-A781 PolarHBondContact O-N 3.12Å
778	L	96.1	Very high	93.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-42	175.9	-178.6	59.3	0	0	0	111.7	E774 A775 A781 R782 F812 Y813 Y816 I849 M850 L853	E774-L778 WeakPolarHBondContact O-CB 3.47Å; E774-L778 PolarHBondContact O-N 3.33Å; A775-L778 PolarHBondContact O-N 3.42Å; L778-A781 PolarHBondContact O-N 2.76Å; L778-R782 WeakPolarHBondContact O-CB 3.33Å; L778-R782 PolarHBondContact O-N 2.96Å; L778-F812 HydrophobicContact CD1-CE1 3.5Å; L778-F812 HydrophobicContact CD1-CZ 3.52Å; L778-F812 HydrophobicContact CG-CE1 4.39Å; L778-Y813 HydrophobicContact CD2-CD1 4.3Å; L778-Y813 HydrophobicContact CD2-CE1 4.21Å; L778-Y816 HydrophobicContact CB-CE2 4.1Å; L778-Y816 HydrophobicContact CD1-CD1 4.21Å; L778-Y816 HydrophobicContact CD1-CD2 3.49Å; L778-Y816 VanDerWaalsContact CD1-CD2 3.49Å; L778-Y816 HydrophobicContact CD1-CE2 3.89Å; L778-Y816 HydrophobicContact CD1-CG 3.63Å; L778-Y816 HydrophobicContact CD2-CD1 3.82Å; L778-Y816 HydrophobicContact CD2-CD2 4.31Å; L778-Y816 HydrophobicContact CD2-CE1 3.72Å; L778-Y816 HydrophobicContact CD2-CE2 4.17Å; L778-Y816 HydrophobicContact CD2-CG 4.11Å; L778-Y816 HydrophobicContact CG-CD2 4.33Å; L778-Y816 HydrophobicContact CG-CE2 4.28Å; L778-Y816 HydrophobicContact CG-CG 4.47Å; L778-I849 HydrophobicContact CB-CG2 4.43Å; L778-I849 HydrophobicContact CD2-CG2 3.57Å; L778-M850 HydrophobicContact CD2-CE 3.61Å; L778-M850 HydrophobicContact CD2-SD 4.46Å; L778-L853 HydrophobicContact CD2-CD1 3.62Å; L778-L853 HydrophobicContact CG-CD1 3.99Å
779	D	94.7	Very high	93.4	Very high	25 Å²	25	11.4 Å²	11.4	13%	0.134	6%	0.059	C	C	.	.	H	α-helix	trans	-68	-42.8	-177.6	-153.6	24	0	0	0	112.1	H567 A775 S776 A781 R782 S783 L853	H567-D779 IonicContact CD2-OD2 3.67Å; H567-D779 IonicContact NE2-OD2 3.69Å; H567-D779 PolarHBondContact NE2-OD2 3.43Å; A775-D779 PolarHBondContact O-N 3.25Å; S776-D779 PolarHBondContact O-N 3.29Å; D779-A781 VanDerWaalsContact C-N 3.31Å; D779-A781 PolarHBondContact O-N 3.34Å; D779-R782 PolarHBondContact O-N 3.22Å; D779-R782 IonicContact OD1-CZ 3.53Å; D779-R782 IonicContact OD1-NE 3.7Å; D779-R782 PolarHBondContact OD1-NE 3.07Å; D779-R782 IonicContact OD1-NH2 2.73Å; D779-R782 PolarHBondContact OD1-NH2 3.12Å; D779-R782 IonicContact OD2-NH2 2.94Å; D779-S783 PolarHBondContact O-N 3.47Å; D779-L853 HydrophobicContact CB-CD2 3.95Å
780	I	95.6	Very high	93.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.6	-45.6	171.1	-66.4	162.3	0	0	0	110.5	L560 S563 L564 S776 A784	L560-I780 HydrophobicContact CD2-CG2 4.06Å; S563-I780 PolarHBondContact OG-O 2.85Å; S563-I780 VanDerWaalsContact OG-O 3.13Å; L564-I780 HydrophobicContact CB-CD1 4.43Å; L564-I780 HydrophobicContact CB-CG2 4.31Å; L564-I780 HydrophobicContact CD1-CD1 3.68Å; L564-I780 HydrophobicContact CD1-CG1 4.35Å; S776-I780 WeakPolarHBondContact O-CD1 3.47Å; S776-I780 WeakPolarHBondContact O-CG1 3.44Å; S776-I780 PolarHBondContact O-N 2.95Å; I780-A784 VanDerWaalsContact O-CB 3.22Å; I780-A784 WeakPolarHBondContact O-CB 3.5Å; I780-A784 PolarHBondContact O-N 3.17Å
781	A	97.6	Very high	93.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.3	-38.7	-179.6	0	0	0	0	0	112.9	L560 G695 G777 L778 D779 F785 F812	L560-A781 HydrophobicContact CD2-CB 4.09Å; G695-A781 WeakPolarHBondContact O-CB 3.31Å; G777-A781 WeakPolarHBondContact O-CB 3.14Å; G777-A781 PolarHBondContact O-N 3.12Å; L778-A781 PolarHBondContact O-N 2.76Å; D779-A781 VanDerWaalsContact C-N 3.31Å; D779-A781 PolarHBondContact O-N 3.34Å; A781-F785 VanDerWaalsContact O-CB 3.28Å; A781-F785 WeakPolarHBondContact O-CB 3.37Å; A781-F785 PolarHBondContact O-N 3.05Å; A781-F812 HydrophobicContact CB-CE2 4.32Å; A781-F812 HydrophobicContact CB-CZ 4.18Å
782	R	96.7	Very high	92.1	Very high	21 Å²	21	23.3 Å²	23.3	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-51.9	177.1	176.5	-165.5	66.7	96.2	-18.9	111.3	L778 D779 A784 F785 E786 F812 Y813 D855	L778-R782 WeakPolarHBondContact O-CB 3.33Å; L778-R782 PolarHBondContact O-N 2.96Å; D779-R782 PolarHBondContact O-N 3.22Å; D779-R782 IonicContact OD1-CZ 3.53Å; D779-R782 IonicContact OD1-NE 3.7Å; D779-R782 PolarHBondContact OD1-NE 3.07Å; D779-R782 IonicContact OD1-NH2 2.73Å; D779-R782 PolarHBondContact OD1-NH2 3.12Å; D779-R782 IonicContact OD2-NH2 2.94Å; R782-A784 VanDerWaalsContact C-N 3.32Å; R782-A784 PolarHBondContact O-N 3.04Å; R782-F785 WeakPolarHBondContact O-CB 3.16Å; R782-F785 PolarHBondContact O-N 3.15Å; R782-F785 VanDerWaalsContact O-N 3.17Å; R782-E786 IonicContact NH1-OE1 3.82Å; R782-E786 IonicContact NH1-OE2 3.33Å; R782-E786 WeakPolarHBondContact O-CG 3.4Å; R782-E786 PolarHBondContact O-N 3.12Å; R782-F812 VanDerWaalsContact CA-CZ 3.42Å; R782-F812 HydrophobicContact CB-CE1 3.63Å; R782-F812 HydrophobicContact CB-CZ 3.66Å; R782-F812 HydrophobicContact CG-CE1 4.1Å; R782-Y813 WeakPolarHBondContact CD-OH 3.19Å; R782-D855 IonicContact CZ-OD1 2.83Å; R782-D855 IonicContact CZ-OD2 2.61Å; R782-D855 VanDerWaalsContact CZ-OD2 3.31Å; R782-D855 IonicContact NH1-OD1 3.19Å; R782-D855 PolarHBondContact NH1-OD1 3.15Å; R782-D855 IonicContact NH1-OD2 2.75Å; R782-D855 PolarHBondContact NH1-OD2 3.26Å; R782-D855 IonicContact NH2-OD1 2.62Å; R782-D855 IonicContact NH2-OD2 2.96Å; R782-D855 PolarHBondContact NH2-OD2 2.6Å
783	S	95.2	Very high	90.6	Very high	19 Å²	19	27.2 Å²	27.2	13%	0.133	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-41.4	178.5	159.2	0	0	0	0	111.3	S563 D779 F785 E786 D787	S563-S783 WeakPolarHBondContact OG-CB 3.38Å; S563-S783 PolarHBondContact OG-OG 2.81Å; D779-S783 PolarHBondContact O-N 3.47Å; S783-F785 VanDerWaalsContact C-N 3.3Å; S783-F785 PolarHBondContact O-N 3.1Å; S783-E786 PolarHBondContact O-N 3.09Å; S783-D787 WeakPolarHBondContact O-CB 3.35Å; S783-D787 PolarHBondContact O-N 2.84Å
784	A	96.3	Very high	89.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-39.1	174.7	0	0	0	0	0	112.4	L560 F691 I780 R782 W788	L560-A784 HydrophobicContact CD2-CB 3.82Å; L560-A784 HydrophobicContact CG-CB 4.18Å; F691-A784 HydrophobicContact CD1-CB 4.37Å; F691-A784 HydrophobicContact CE1-CB 3.75Å; I780-A784 VanDerWaalsContact O-CB 3.22Å; I780-A784 WeakPolarHBondContact O-CB 3.5Å; I780-A784 PolarHBondContact O-N 3.17Å; R782-A784 VanDerWaalsContact C-N 3.32Å; R782-A784 PolarHBondContact O-N 3.04Å; A784-W788 WeakPolarHBondContact O-CB 3.3Å; A784-W788 PolarHBondContact O-N 3.48Å
785	F	95.1	Very high	87.8	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-45.3	173.5	162	-114.5	0	0	0	112	A687 A688 F691 A781 R782 S783 W788 I789 K809 F812	A687-F785 HydrophobicContact CB-CD2 4.22Å; A687-F785 HydrophobicContact CB-CE2 4.12Å; A688-F785 VanDerWaalsContact CA-CE2 3.44Å; A688-F785 HydrophobicContact CB-CE2 3.82Å; A688-F785 HydrophobicContact CB-CZ 3.75Å; F691-F785 HydrophobicContact CB-CB 3.71Å; F691-F785 HydrophobicContact CB-CD2 4.2Å; F691-F785 HydrophobicContact CB-CG 4.17Å; F691-F785 HydrophobicContact CD1-CB 3.81Å; F691-F785 HydrophobicContact CD2-CB 4.09Å; F691-F785 HydrophobicContact CD2-CD2 4.03Å; F691-F785 HydrophobicContact CE1-CB 4.41Å; F691-F785 HydrophobicContact CG-CB 3.62Å; F691-F785 HydrophobicContact CG-CD2 4.25Å; F691-F785 HydrophobicContact CG-CG 4.35Å; A781-F785 VanDerWaalsContact O-CB 3.28Å; A781-F785 WeakPolarHBondContact O-CB 3.37Å; A781-F785 PolarHBondContact O-N 3.05Å; R782-F785 WeakPolarHBondContact O-CB 3.16Å; R782-F785 PolarHBondContact O-N 3.15Å; R782-F785 VanDerWaalsContact O-N 3.17Å; S783-F785 VanDerWaalsContact C-N 3.3Å; S783-F785 PolarHBondContact O-N 3.1Å; F785-W788 WeakPolarHBondContact O-CB 3.34Å; F785-W788 PolarHBondContact O-N 2.98Å; F785-I789 HydrophobicContact CD2-CG2 3.93Å; F785-I789 HydrophobicContact CE1-CD1 4.26Å; F785-I789 HydrophobicContact CE2-CD1 4.42Å; F785-I789 HydrophobicContact CE2-CG2 3.4Å; F785-I789 VanDerWaalsContact CE2-CG2 3.4Å; F785-I789 HydrophobicContact CZ-CD1 3.99Å; F785-I789 HydrophobicContact CZ-CG2 4.01Å; F785-I789 WeakPolarHBondContact O-CG1 3.37Å; F785-I789 PolarHBondContact O-N 2.7Å; F785-K809 HydrophobicContact CE1-CG 4.43Å; F785-F812 HydrophobicContact CB-CD2 4.33Å; F785-F812 HydrophobicContact CB-CE2 4.34Å; F785-F812 HydrophobicContact CD1-CB 4.29Å; F785-F812 HydrophobicContact CD1-CD2 4.07Å; F785-F812 HydrophobicContact CD1-CG 4.2Å; F785-F812 HydrophobicContact CE1-CB 4.14Å; F785-F812 HydrophobicContact CG-CD2 4.19Å
786	E	93.4	Very high	86.5	Confident	33 Å²	33	37.6 Å²	37.6	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-43.1	179.1	-71.4	-172.2	166.8	0	0	111.9	R782 S783 W788 I789 N790 K809	R782-E786 IonicContact NH1-OE1 3.82Å; R782-E786 IonicContact NH1-OE2 3.33Å; R782-E786 WeakPolarHBondContact O-CG 3.4Å; R782-E786 PolarHBondContact O-N 3.12Å; S783-E786 PolarHBondContact O-N 3.09Å; E786-W788 VanDerWaalsContact C-N 3.33Å; E786-W788 PolarHBondContact O-N 2.89Å; E786-I789 WeakPolarHBondContact O-CG1 3.3Å; E786-I789 PolarHBondContact O-N 3.48Å; E786-N790 WeakPolarHBondContact O-CB 3.46Å; E786-N790 PolarHBondContact O-N 3.1Å; E786-N790 PolarHBondContact O-ND2 3.27Å; E786-K809 VanDerWaalsContact OE1-CE 3.25Å; E786-K809 WeakPolarHBondContact OE1-CE 3.33Å; E786-K809 IonicContact OE1-NZ 3.62Å; E786-K809 PolarHBondContact OE1-NZ 2.9Å; E786-K809 IonicContact OE2-NZ 3.1Å
787	D	93.3	Very high	85.1	Confident	48 Å²	48	39.9 Å²	39.9	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-44.1	173.6	-71.3	-13.1	0	0	0	110.6	Y559 S783 I789 N790 D791	Y559-D787 HydrophobicContact CD1-CB 3.88Å; Y559-D787 HydrophobicContact CE1-CB 4.13Å; S783-D787 WeakPolarHBondContact O-CB 3.35Å; S783-D787 PolarHBondContact O-N 2.84Å; D787-I789 PolarHBondContact O-N 3.15Å; D787-N790 PolarHBondContact O-N 3.28Å; D787-D791 WeakPolarHBondContact O-CB 3.43Å; D787-D791 PolarHBondContact O-N 2.93Å
788	W	91.4	Very high	83.9	Confident	9 Å²	9	42.4 Å²	42.4	3%	0.034	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-49.9	178.7	-178.9	-69	0	0	0	113.1	Q555 M556 Y559 F691 A784 F785 E786 N790 D791 S792 Y797	Q555-W788 VanDerWaalsContact C-CZ3 3.44Å; Q555-W788 HydrophobicContact CB-CH2 3.27Å; Q555-W788 HydrophobicContact CB-CZ2 4.47Å; Q555-W788 HydrophobicContact CB-CZ3 3.32Å; Q555-W788 HydrophobicContact CG-CH2 4.26Å; M556-W788 HydrophobicContact CB-CZ3 4.46Å; Y559-W788 HydrophobicContact CD1-CB 4.25Å; Y559-W788 HydrophobicContact CD2-CD2 4.17Å; Y559-W788 AromaticContact CD2-CE3 3.16Å; Y559-W788 HydrophobicContact CD2-CE3 3.16Å; Y559-W788 AromaticContact CD2-CZ3 3.65Å; Y559-W788 HydrophobicContact CD2-CZ3 3.65Å; Y559-W788 HydrophobicContact CE1-CB 4.25Å; Y559-W788 HydrophobicContact CE2-CD2 4.01Å; Y559-W788 AromaticContact CE2-CE3 3.34Å; Y559-W788 HydrophobicContact CE2-CE3 3.34Å; Y559-W788 AromaticContact CE2-CZ3 3.84Å; Y559-W788 HydrophobicContact CE2-CZ3 3.84Å; Y559-W788 HydrophobicContact CG-CB 4.43Å; Y559-W788 AromaticContact CG-CE3 3.86Å; Y559-W788 HydrophobicContact CG-CE3 3.86Å; F691-W788 HydrophobicContact CE2-CB 4.06Å; F691-W788 AromaticContact CE2-CD2 3.83Å; F691-W788 HydrophobicContact CE2-CD2 3.83Å; F691-W788 AromaticContact CE2-CE3 3.81Å; F691-W788 HydrophobicContact CE2-CE3 3.81Å; F691-W788 AromaticContact CE2-CG 3.93Å; F691-W788 HydrophobicContact CE2-CG 3.93Å; F691-W788 HydrophobicContact CE2-CZ3 4.44Å; F691-W788 HydrophobicContact CZ-CB 4.08Å; F691-W788 HydrophobicContact CZ-CD2 4.06Å; F691-W788 AromaticContact CZ-CE3 3.63Å; F691-W788 HydrophobicContact CZ-CE3 3.63Å; F691-W788 HydrophobicContact CZ-CG 4.26Å; F691-W788 HydrophobicContact CZ-CZ3 4.29Å; A784-W788 WeakPolarHBondContact O-CB 3.3Å; A784-W788 PolarHBondContact O-N 3.48Å; F785-W788 WeakPolarHBondContact O-CB 3.34Å; F785-W788 PolarHBondContact O-N 2.98Å; E786-W788 VanDerWaalsContact C-N 3.33Å; E786-W788 PolarHBondContact O-N 2.89Å; W788-N790 PolarHBondContact O-N 3.03Å; W788-D791 PolarHBondContact O-N 2.89Å; W788-S792 PolarHBondContact O-N 3.15Å; W788-Y797 HydrophobicContact CZ2-CE1 4.29Å; W788-Y797 HydrophobicContact CZ2-CE2 4.31Å; W788-Y797 AromaticContact NE1-CD2 3.86Å; W788-Y797 AromaticContact NE1-CG 3.82Å
789	I	88.2	Confident	82.9	Confident	30 Å²	30	46.4 Å²	46.4	15%	0.154	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-25.1	-177.6	61.9	175.6	0	0	0	112.1	A687 F785 E786 D787 L798	A687-I789 HydrophobicContact CB-CG2 4.42Å; F785-I789 HydrophobicContact CD2-CG2 3.93Å; F785-I789 HydrophobicContact CE1-CD1 4.26Å; F785-I789 HydrophobicContact CE2-CD1 4.42Å; F785-I789 HydrophobicContact CE2-CG2 3.4Å; F785-I789 VanDerWaalsContact CE2-CG2 3.4Å; F785-I789 HydrophobicContact CZ-CD1 3.99Å; F785-I789 HydrophobicContact CZ-CG2 4.01Å; F785-I789 WeakPolarHBondContact O-CG1 3.37Å; F785-I789 PolarHBondContact O-N 2.7Å; E786-I789 WeakPolarHBondContact O-CG1 3.3Å; E786-I789 PolarHBondContact O-N 3.48Å; D787-I789 PolarHBondContact O-N 3.15Å; I789-L798 HydrophobicContact CB-CD2 4.08Å; I789-L798 HydrophobicContact CG2-CD2 4.19Å
790	N	87.2	Confident	82.1	Confident	119 Å²	119	46.7 Å²	46.7	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-79.2	-42.8	176.4	-70.3	-26.7	0	0	0	111.8	E786 D787 W788	E786-N790 WeakPolarHBondContact O-CB 3.46Å; E786-N790 PolarHBondContact O-N 3.1Å; E786-N790 PolarHBondContact O-ND2 3.27Å; D787-N790 PolarHBondContact O-N 3.28Å; W788-N790 PolarHBondContact O-N 3.03Å
791	D	85.3	Confident	81.6	Confident	112 Å²	112	46.8 Å²	46.8	60%	0.599	25%	0.247	S	C	*	.	H	α-helix	trans	-80	-31.2	-175.5	-73.6	-10.1	0	0	0	113	Y559 D787 W788	Y559-D791 HydrophobicContact CE1-CB 4.23Å; Y559-D791 VanDerWaalsContact OH-CB 3.3Å; Y559-D791 WeakPolarHBondContact OH-CB 3.37Å; D787-D791 WeakPolarHBondContact O-CB 3.43Å; D787-D791 PolarHBondContact O-N 2.93Å; W788-D791 PolarHBondContact O-N 2.89Å
792	S	68.7	Low	80.9	Confident	47 Å²	47	47.6 Å²	47.6	33%	0.329	25%	0.252	S	S	.	.			trans	-131.8	79.3	-169.9	-65.1	0	0	0	0	112	Y559 W788 G794	Y559-S792 PolarHBondContact OH-OG 2.99Å; W788-S792 PolarHBondContact O-N 3.15Å; S792-G794 PolarHBondContact O-N 2.84Å
793	P	60.3	Low	80	Confident	88 Å²	88	49.5 Å²	49.5	57%	0.571	28%	0.279	S	S	*	.			trans	-76.3	34.9	-176.8	33.9	-37.5	0	0	0	113	E795 L798	P793-E795 PolarHBondContact O-N 3.46Å; P793-L798 HydrophobicContact CB-CD1 4.17Å
794	G	63.4	Low	79	Confident	34 Å²	34	49.2 Å²	49.2	35%	0.351	28%	0.276	S	S	.	.			trans	-52.5	119.1	173	0	0	0	0	0	108.9	S792 K796 Y797	S792-G794 PolarHBondContact O-N 2.84Å; G794-K796 PolarHBondContact O-N 2.96Å; G794-Y797 PolarHBondContact O-N 3.32Å
795	E	61.8	Low	78.2	Confident	143 Å²	143	54.9 Å²	54.9	67%	0.668	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-31.4	-172.1	-70.3	-176.8	168.8	0	0	112.4	P793 Y797 R799	P793-E795 PolarHBondContact O-N 3.46Å; E795-Y797 PolarHBondContact O-N 3.37Å; E795-R799 VanDerWaalsContact O-CG 3.24Å; E795-R799 WeakPolarHBondContact O-CG 3.36Å
796	K	68.9	Low	77.6	Confident	59 Å²	59	55.9 Å²	55.9	26%	0.257	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-43.4	176.2	-175.2	-172.6	172.7	-161	0	113.5	H683 G794 R799	H683-K796 WeakPolarHBondContact O-CE 3.19Å; H683-K796 PolarHBondContact O-NZ 3.36Å; G794-K796 PolarHBondContact O-N 2.96Å; K796-R799 WeakPolarHBondContact O-CG 3.47Å; K796-R799 PolarHBondContact O-N 3.05Å
797	Y	63.4	Low	77.3	Confident	48 Å²	48	57.9 Å²	57.9	19%	0.188	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-21.3	-172.5	-60.4	-60.9	0	0	0	113.1	A687 W788 G794 E795 R799	A687-Y797 HydrophobicContact CB-CD1 4.38Å; A687-Y797 PolarHBondContact N-O 3.35Å; W788-Y797 HydrophobicContact CZ2-CE1 4.29Å; W788-Y797 HydrophobicContact CZ2-CE2 4.31Å; W788-Y797 AromaticContact NE1-CD2 3.86Å; W788-Y797 AromaticContact NE1-CG 3.82Å; G794-Y797 PolarHBondContact O-N 3.32Å; E795-Y797 PolarHBondContact O-N 3.37Å; Y797-R799 VanDerWaalsContact C-N 3.34Å
798	L	69.8	Low	77.1	Confident	54 Å²	54	56.8 Å²	56.8	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.8	177.1	-62.3	175.7	0	0	0	112.7	I789 P793	I789-L798 HydrophobicContact CB-CD2 4.08Å; I789-L798 HydrophobicContact CG2-CD2 4.19Å; P793-L798 HydrophobicContact CB-CD1 4.17Å
799	R	74.5	Confident	77.1	Confident	84 Å²	84	60.2 Å²	60.2	32%	0.317	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-67.2	143.2	-179.8	-66.9	-175.8	-178	173.2	-1.1	111.1	N118 C120 P686 E795 K796 Y797	N118-R799 CarbonylContact O-C 3.59Å; N118-R799 WeakPolarHBondContact O-CA 3.25Å; N118-R799 VanDerWaalsContact O-CB 3.27Å; N118-R799 WeakPolarHBondContact O-CB 3.29Å; C120-R799 HydrophobicContact CB-CB 4.11Å; P686-R799 VanDerWaalsContact CB-O 3.27Å; P686-R799 WeakPolarHBondContact CB-O 3.18Å; P686-R799 WeakPolarHBondContact CG-O 3.41Å; E795-R799 VanDerWaalsContact O-CG 3.24Å; E795-R799 WeakPolarHBondContact O-CG 3.36Å; K796-R799 WeakPolarHBondContact O-CG 3.47Å; K796-R799 PolarHBondContact O-N 3.05Å; Y797-R799 VanDerWaalsContact C-N 3.34Å
800	N	78.5	Confident	77.4	Confident	30 Å²	30	60.6 Å²	60.6	16%	0.16	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-87.7	146.7	170.6	-63.7	-50.4	0	0	0	110	N118 Q119 C120	N118-N800 PolarHBondContact O-N 2.97Å; Q119-N800 WeakPolarHBondContact CA-O 3.02Å; C120-N800 PolarHBondContact N-O 3.27Å
801	L	85.2	Confident	77.8	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-74.7	132.6	170.9	-75.4	-178.5	0	0	0	110.2	C125 S129 I132 L685 P686 F689 G803 V804 L811	C125-L801 HydrophobicContact CB-CD2 3.91Å; S129-L801 WeakPolarHBondContact OG-CB 3.43Å; I132-L801 HydrophobicContact CD1-CD1 3.37Å; L685-L801 HydrophobicContact CD2-CD2 3.94Å; P686-L801 HydrophobicContact CG-CD2 4.14Å; P686-L801 HydrophobicContact CG-CG 4.15Å; F689-L801 HydrophobicContact CD2-CD1 4.19Å; L801-G803 PolarHBondContact O-N 3.31Å; L801-V804 HydrophobicContact CB-CB 3.89Å; L801-V804 HydrophobicContact CB-CG2 3.79Å; L801-V804 PolarHBondContact O-N 3.45Å; L801-L811 HydrophobicContact CD1-CD1 4.18Å; L801-L811 HydrophobicContact CD1-CD2 3.95Å; L801-L811 HydrophobicContact CG-CD2 4.25Å
802	P	82.2	Confident	78.3	Confident	16 Å²	16	50 Å²	50	10%	0.104	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	135.5	-177.7	24.2	-34.5	0	0	0	111.3	C120 Y121 L126 S129 V804	C120-P802 WeakPolarHBondContact O-CD 3.32Å; C120-P802 VanDerWaalsContact O-CG 3.3Å; C120-P802 WeakPolarHBondContact O-CG 3.32Å; Y121-P802 HydrophobicContact CD1-CB 4.4Å; Y121-P802 HydrophobicContact CE1-CB 4.04Å; L126-P802 HydrophobicContact CD2-CB 4.43Å; L126-P802 HydrophobicContact CD2-CG 3.74Å; S129-P802 WeakPolarHBondContact CB-O 3.28Å; S129-P802 VanDerWaalsContact OG-CD 3.22Å; S129-P802 WeakPolarHBondContact OG-CD 3.41Å; S129-P802 PolarHBondContact OG-O 3.13Å; P802-V804 PolarHBondContact O-N 3.33Å; P802-V804 VanDerWaalsContact O-N 3.14Å
803	G	77.4	Confident	79.6	Confident	62 Å²	62	47.9 Å²	47.9	64%	0.639	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-7.6	-178.3	0	0	0	0	0	115.1	L801	L801-G803 PolarHBondContact O-N 3.31Å
804	V	75.7	Confident	81.3	Confident	12 Å²	12	43.7 Å²	43.7	7%	0.073	24%	0.241	C	C	.	.			trans	-96.6	112.3	175.1	-175.1	0	0	0	0	108.5	V133 L801 P802 F806 L811	V133-V804 HydrophobicContact CG2-CG2 4.03Å; L801-V804 HydrophobicContact CB-CB 3.89Å; L801-V804 HydrophobicContact CB-CG2 3.79Å; L801-V804 PolarHBondContact O-N 3.45Å; P802-V804 PolarHBondContact O-N 3.33Å; P802-V804 VanDerWaalsContact O-N 3.14Å; V804-F806 VanDerWaalsContact C-N 3.26Å; V804-F806 HydrophobicContact CG1-CB 4.15Å; V804-F806 HydrophobicContact CG1-CD2 3.3Å; V804-F806 HydrophobicContact CG1-CE2 3.99Å; V804-F806 HydrophobicContact CG1-CG 4.14Å; V804-F806 PolarHBondContact O-N 3.04Å; V804-L811 HydrophobicContact CG1-CD1 4.4Å
805	T	78.4	Confident	82.9	Confident	120 Å²	120	42.3 Å²	42.3	74%	0.736	23%	0.225	S	C	*	.			trans	-85.9	8.8	-175.4	54.9	0	0	0	0	114.1
806	F	83.3	Confident	84.6	Confident	23 Å²	23	35.5 Å²	35.5	10%	0.101	19%	0.193	C	C	.	.			trans	-79.8	143.6	-179.1	-59.3	-56.2	0	0	0	111.5	M136 Y149 V804 Q810 L811 L814	M136-F806 HydrophobicContact CE-CE1 4.37Å; M136-F806 HydrophobicContact CE-CE2 3.56Å; M136-F806 HydrophobicContact CE-CZ 3.3Å; M136-F806 HydrophobicContact SD-CE2 3.58Å; M136-F806 VanDerWaalsContact SD-CE2 3.58Å; M136-F806 HydrophobicContact SD-CZ 3.94Å; Y149-F806 WeakPolarHBondContact OH-CE1 3.28Å; Y149-F806 WeakPolarHBondContact OH-CZ 3.14Å; V804-F806 VanDerWaalsContact C-N 3.26Å; V804-F806 HydrophobicContact CG1-CB 4.15Å; V804-F806 HydrophobicContact CG1-CD2 3.3Å; V804-F806 HydrophobicContact CG1-CE2 3.99Å; V804-F806 HydrophobicContact CG1-CG 4.14Å; V804-F806 PolarHBondContact O-N 3.04Å; F806-Q810 HydrophobicContact CB-CB 3.8Å; F806-Q810 HydrophobicContact CD1-CB 4.16Å; F806-Q810 HydrophobicContact CG-CB 4.27Å; F806-L811 HydrophobicContact CB-CB 4.41Å; F806-L814 HydrophobicContact CD2-CD2 3.54Å; F806-L814 HydrophobicContact CE2-CD2 3.53Å; F806-L814 HydrophobicContact CG-CD2 4.5Å; F806-L814 HydrophobicContact CZ-CD2 4.45Å
807	N	86.1	Confident	85.9	Confident	74 Å²	74	32.7 Å²	32.7	40%	0.396	18%	0.181	S	C	.	.			trans	-72.3	167.9	165.5	71.2	51.9	0	0	0	110.5	K809 Q810 L811	N807-K809 VanDerWaalsContact C-N 3.29Å; N807-K809 PolarHBondContact O-N 3.48Å; N807-K809 WeakPolarHBondContact OD1-CA 3.33Å; N807-K809 WeakPolarHBondContact OD1-CB 3.33Å; N807-K809 PolarHBondContact OD1-N 3.47Å; N807-Q810 PolarHBondContact ND2-OE1 2.9Å; N807-Q810 PolarHBondContact O-N 3.38Å; N807-Q810 VanDerWaalsContact O-N 3.16Å; N807-Q810 PolarHBondContact OD1-N 3.29Å; N807-L811 WeakPolarHBondContact O-CB 3.48Å; N807-L811 PolarHBondContact O-N 3.4Å
808	S	89.2	Confident	87.5	Confident	26 Å²	26	30.5 Å²	30.5	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-36.1	-175.8	-45.9	0	0	0	0	113.7	A688 F812	A688-S808 WeakPolarHBondContact CB-O 3.48Å; S808-F812 PolarHBondContact O-N 2.87Å
809	K	92.6	Very high	88.6	Confident	81 Å²	81	28 Å²	28	35%	0.352	16%	0.159	S	C	.	.	H	α-helix	trans	-70	-42.7	177.1	-62.2	-167.2	178.2	-151.1	0	112	F785 E786 N807 L811 F812 Y813 T859	F785-K809 HydrophobicContact CE1-CG 4.43Å; E786-K809 VanDerWaalsContact OE1-CE 3.25Å; E786-K809 WeakPolarHBondContact OE1-CE 3.33Å; E786-K809 IonicContact OE1-NZ 3.62Å; E786-K809 PolarHBondContact OE1-NZ 2.9Å; E786-K809 IonicContact OE2-NZ 3.1Å; N807-K809 VanDerWaalsContact C-N 3.29Å; N807-K809 PolarHBondContact O-N 3.48Å; N807-K809 WeakPolarHBondContact OD1-CA 3.33Å; N807-K809 WeakPolarHBondContact OD1-CB 3.33Å; N807-K809 PolarHBondContact OD1-N 3.47Å; K809-L811 VanDerWaalsContact C-N 3.33Å; K809-L811 PolarHBondContact O-N 2.74Å; K809-F812 WeakPolarHBondContact O-CB 3.43Å; K809-F812 PolarHBondContact O-N 2.71Å; K809-Y813 VanDerWaalsContact O-CD2 3.29Å; K809-Y813 WeakPolarHBondContact O-CD2 3.32Å; K809-Y813 PolarHBondContact O-N 2.89Å; K809-T859 HydrophobicContact CB-CG2 3.73Å
810	Q	94.3	Very high	89.6	Confident	38 Å²	38	24 Å²	24	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-41	175.2	-73.6	174	-26.9	0	0	111.5	F806 N807 L814 T859 F860	F806-Q810 HydrophobicContact CB-CB 3.8Å; F806-Q810 HydrophobicContact CD1-CB 4.16Å; F806-Q810 HydrophobicContact CG-CB 4.27Å; N807-Q810 PolarHBondContact ND2-OE1 2.9Å; N807-Q810 PolarHBondContact O-N 3.38Å; N807-Q810 VanDerWaalsContact O-N 3.16Å; N807-Q810 PolarHBondContact OD1-N 3.29Å; Q810-L814 WeakPolarHBondContact O-CB 3.47Å; Q810-L814 PolarHBondContact O-N 3.32Å; Q810-L814 VanDerWaalsContact O-N 3.08Å; Q810-T859 HydrophobicContact CB-CG2 4.36Å; Q810-T859 HydrophobicContact CG-CG2 3.62Å; Q810-T859 PolarHBondContact NE2-O 3.35Å; Q810-F860 HydrophobicContact CB-CE1 4.31Å; Q810-F860 HydrophobicContact CB-CZ 3.98Å; Q810-F860 HydrophobicContact CG-CD1 4.49Å; Q810-F860 HydrophobicContact CG-CE1 4.08Å; Q810-F860 HydrophobicContact CG-CE2 4.38Å; Q810-F860 HydrophobicContact CG-CZ 4.01Å
811	L	93.9	Very high	90.3	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-42.1	176.8	-179.1	60.3	0	0	0	111.4	I132 A688 L801 V804 F806 N807 K809 Y813 L814 I815	I132-L811 HydrophobicContact CD1-CD1 4.17Å; A688-L811 HydrophobicContact CB-CB 4.18Å; A688-L811 HydrophobicContact CB-CD2 4.1Å; A688-L811 HydrophobicContact CB-CG 4.2Å; L801-L811 HydrophobicContact CD1-CD1 4.18Å; L801-L811 HydrophobicContact CD1-CD2 3.95Å; L801-L811 HydrophobicContact CG-CD2 4.25Å; V804-L811 HydrophobicContact CG1-CD1 4.4Å; F806-L811 HydrophobicContact CB-CB 4.41Å; N807-L811 WeakPolarHBondContact O-CB 3.48Å; N807-L811 PolarHBondContact O-N 3.4Å; K809-L811 VanDerWaalsContact C-N 3.33Å; K809-L811 PolarHBondContact O-N 2.74Å; L811-Y813 PolarHBondContact O-N 3.05Å; L811-L814 PolarHBondContact O-N 3.42Å; L811-I815 HydrophobicContact CD1-CD1 4Å; L811-I815 HydrophobicContact CD1-CG1 3.87Å; L811-I815 HydrophobicContact CG-CG1 4.23Å; L811-I815 WeakPolarHBondContact O-CG1 3.5Å; L811-I815 PolarHBondContact O-N 3.41Å
812	F	96	Very high	90.6	Very high	1 Å²	1	24 Å²	24	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-53.5	-52.5	177.3	168.4	-90.7	0	0	0	112.5	A688 F691 L778 A781 R782 F785 S808 K809 L814 I815 Y816	A688-F812 HydrophobicContact CB-CB 4.41Å; A688-F812 WeakPolarHBondContact O-CA 3.47Å; F691-F812 HydrophobicContact CB-CD2 3.93Å; F691-F812 HydrophobicContact CB-CE2 3.86Å; L778-F812 HydrophobicContact CD1-CE1 3.5Å; L778-F812 HydrophobicContact CD1-CZ 3.52Å; L778-F812 HydrophobicContact CG-CE1 4.39Å; A781-F812 HydrophobicContact CB-CE2 4.32Å; A781-F812 HydrophobicContact CB-CZ 4.18Å; R782-F812 VanDerWaalsContact CA-CZ 3.42Å; R782-F812 HydrophobicContact CB-CE1 3.63Å; R782-F812 HydrophobicContact CB-CZ 3.66Å; R782-F812 HydrophobicContact CG-CE1 4.1Å; F785-F812 HydrophobicContact CB-CD2 4.33Å; F785-F812 HydrophobicContact CB-CE2 4.34Å; F785-F812 HydrophobicContact CD1-CB 4.29Å; F785-F812 HydrophobicContact CD1-CD2 4.07Å; F785-F812 HydrophobicContact CD1-CG 4.2Å; F785-F812 HydrophobicContact CE1-CB 4.14Å; F785-F812 HydrophobicContact CG-CD2 4.19Å; S808-F812 PolarHBondContact O-N 2.87Å; K809-F812 WeakPolarHBondContact O-CB 3.43Å; K809-F812 PolarHBondContact O-N 2.71Å; F812-L814 PolarHBondContact O-N 2.92Å; F812-I815 PolarHBondContact O-N 3.31Å; F812-Y816 PolarHBondContact O-N 3.32Å
813	Y	97.4	Very high	90.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-36.9	179.3	-71.8	-69.4	0	0	0	112.7	F146 L778 R782 K809 L811 Y816 A817 M850 L853 F856 T859 F860	F146-Y813 WeakPolarHBondContact CE1-O 3.44Å; L778-Y813 HydrophobicContact CD2-CD1 4.3Å; L778-Y813 HydrophobicContact CD2-CE1 4.21Å; R782-Y813 WeakPolarHBondContact CD-OH 3.19Å; K809-Y813 VanDerWaalsContact O-CD2 3.29Å; K809-Y813 WeakPolarHBondContact O-CD2 3.32Å; K809-Y813 PolarHBondContact O-N 2.89Å; L811-Y813 PolarHBondContact O-N 3.05Å; Y813-Y816 PolarHBondContact O-N 3.3Å; Y813-A817 PolarHBondContact O-N 3.42Å; Y813-M850 HydrophobicContact CD1-CE 4.34Å; Y813-M850 HydrophobicContact CD1-SD 3.76Å; Y813-M850 HydrophobicContact CE1-SD 4.27Å; Y813-L853 HydrophobicContact CE1-CD1 4.28Å; Y813-F856 HydrophobicContact CD1-CB 4.49Å; Y813-F856 AromaticContact CD1-CD2 3.78Å; Y813-F856 HydrophobicContact CD1-CD2 3.78Å; Y813-F856 HydrophobicContact CD2-CD2 4.01Å; Y813-F856 HydrophobicContact CE1-CB 3.94Å; Y813-F856 HydrophobicContact CE1-CD2 4.08Å; Y813-F856 HydrophobicContact CE2-CB 4.25Å; Y813-F856 HydrophobicContact CE2-CD2 4.3Å; Y813-F856 AromaticContact CG-CD2 3.72Å; Y813-F856 HydrophobicContact CG-CD2 3.72Å; Y813-F856 HydrophobicContact CG-CE2 4.36Å; Y813-F856 PolarHBondContact OH-N 3.38Å; Y813-T859 HydrophobicContact CD2-CG2 4.13Å; Y813-T859 HydrophobicContact CE2-CG2 4.25Å; Y813-F860 HydrophobicContact CD2-CE2 4.11Å; Y813-F860 HydrophobicContact CG-CE2 4.36Å
814	L	96.1	Very high	91.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-46.3	176.9	-180	64.5	0	0	0	111.4	I132 M136 Y149 A150 F806 Q810 L811 F812 A817 Q818	I132-L814 HydrophobicContact CG2-CD2 3.46Å; I132-L814 VanDerWaalsContact CG2-CD2 3.46Å; I132-L814 HydrophobicContact CG2-CG 4.19Å; M136-L814 HydrophobicContact CE-CD1 3.95Å; M136-L814 HydrophobicContact CE-CD2 4.09Å; M136-L814 HydrophobicContact CG-CD1 4.05Å; M136-L814 HydrophobicContact SD-CD1 4.05Å; M136-L814 HydrophobicContact SD-CD2 3.66Å; M136-L814 HydrophobicContact SD-CG 4.48Å; Y149-L814 HydrophobicContact CE1-CD1 4.39Å; A150-L814 HydrophobicContact CB-CD1 3.73Å; F806-L814 HydrophobicContact CD2-CD2 3.54Å; F806-L814 HydrophobicContact CE2-CD2 3.53Å; F806-L814 HydrophobicContact CG-CD2 4.5Å; F806-L814 HydrophobicContact CZ-CD2 4.45Å; Q810-L814 WeakPolarHBondContact O-CB 3.47Å; Q810-L814 PolarHBondContact O-N 3.32Å; Q810-L814 VanDerWaalsContact O-N 3.08Å; L811-L814 PolarHBondContact O-N 3.42Å; F812-L814 PolarHBondContact O-N 2.92Å; L814-A817 PolarHBondContact O-N 2.99Å; L814-Q818 HydrophobicContact CD1-CG 4.43Å; L814-Q818 WeakPolarHBondContact O-CB 3.47Å; L814-Q818 WeakPolarHBondContact O-CG 3.39Å; L814-Q818 PolarHBondContact O-N 2.78Å
815	I	96.1	Very high	91.7	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-43.1	177.4	-62.7	-51	0	0	0	110.9	I132 F689 L811 F812 A817 Q818 T819	I132-I815 HydrophobicContact CD1-CD1 3.53Å; I132-I815 HydrophobicContact CG1-CD1 3.56Å; F689-I815 HydrophobicContact CB-CG1 4.38Å; F689-I815 HydrophobicContact CD2-CD1 3.46Å; F689-I815 VanDerWaalsContact CD2-CD1 3.46Å; F689-I815 HydrophobicContact CD2-CG1 3.63Å; F689-I815 HydrophobicContact CD2-CG2 4.39Å; F689-I815 HydrophobicContact CE2-CD1 3.54Å; F689-I815 HydrophobicContact CE2-CG1 4.14Å; F689-I815 HydrophobicContact CE2-CG2 4.47Å; F689-I815 HydrophobicContact CG-CD1 4.39Å; F689-I815 HydrophobicContact CG-CG1 4.12Å; F689-I815 HydrophobicContact CG-CG2 4.42Å; L811-I815 HydrophobicContact CD1-CD1 4Å; L811-I815 HydrophobicContact CD1-CG1 3.87Å; L811-I815 HydrophobicContact CG-CG1 4.23Å; L811-I815 WeakPolarHBondContact O-CG1 3.5Å; L811-I815 PolarHBondContact O-N 3.41Å; F812-I815 PolarHBondContact O-N 3.31Å; I815-A817 PolarHBondContact O-N 3.22Å; I815-Q818 PolarHBondContact O-N 3.31Å; I815-T819 WeakPolarHBondContact O-CG2 3.4Å; I815-T819 PolarHBondContact O-N 3.26Å; I815-T819 VanDerWaalsContact O-N 3.15Å
816	Y	97.3	Very high	92.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-53.6	-53.6	173.8	170.1	-94.9	0	0	0	111.6	R201 G692 S696 E774 L778 F812 Y813 Q818 T819 F820 I849 M850	R201-Y816 VanDerWaalsContact NH2-CE2 3.32Å; G692-Y816 WeakPolarHBondContact O-CA 3.29Å; S696-Y816 WeakPolarHBondContact OG-CD2 3.35Å; E774-Y816 PolarHBondContact OE2-OH 2.94Å; L778-Y816 HydrophobicContact CB-CE2 4.1Å; L778-Y816 HydrophobicContact CD1-CD1 4.21Å; L778-Y816 HydrophobicContact CD1-CD2 3.49Å; L778-Y816 VanDerWaalsContact CD1-CD2 3.49Å; L778-Y816 HydrophobicContact CD1-CE2 3.89Å; L778-Y816 HydrophobicContact CD1-CG 3.63Å; L778-Y816 HydrophobicContact CD2-CD1 3.82Å; L778-Y816 HydrophobicContact CD2-CD2 4.31Å; L778-Y816 HydrophobicContact CD2-CE1 3.72Å; L778-Y816 HydrophobicContact CD2-CE2 4.17Å; L778-Y816 HydrophobicContact CD2-CG 4.11Å; L778-Y816 HydrophobicContact CG-CD2 4.33Å; L778-Y816 HydrophobicContact CG-CE2 4.28Å; L778-Y816 HydrophobicContact CG-CG 4.47Å; F812-Y816 PolarHBondContact O-N 3.32Å; Y813-Y816 PolarHBondContact O-N 3.3Å; Y816-Q818 VanDerWaalsContact C-N 3.27Å; Y816-Q818 PolarHBondContact O-N 3.39Å; Y816-T819 PolarHBondContact O-N 3.27Å; Y816-T819 PolarHBondContact O-OG1 3.36Å; Y816-F820 HydrophobicContact CD2-CE2 4.39Å; Y816-F820 HydrophobicContact CE1-CD2 4.39Å; Y816-F820 AromaticContact CE1-CE2 3.95Å; Y816-F820 HydrophobicContact CE1-CE2 3.95Å; Y816-F820 AromaticContact CE2-CE2 3.78Å; Y816-F820 HydrophobicContact CE2-CE2 3.78Å; Y816-F820 AromaticContact CZ-CE2 3.51Å; Y816-F820 WeakPolarHBondContact O-CD2 3.39Å; Y816-I849 WeakPolarHBondContact OH-CD1 3.32Å; Y816-M850 HydrophobicContact CD1-CE 3.33Å; Y816-M850 HydrophobicContact CE1-CE 3.36Å
817	A	97.4	Very high	92.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-38.2	-179.9	0	0	0	0	0	111.8	F146 A150 Y813 L814 I815 T819 F820 V846	F146-A817 HydrophobicContact CD1-CB 3.9Å; F146-A817 HydrophobicContact CE1-CB 3.57Å; A150-A817 HydrophobicContact CB-CB 3.65Å; Y813-A817 PolarHBondContact O-N 3.42Å; L814-A817 PolarHBondContact O-N 2.99Å; I815-A817 PolarHBondContact O-N 3.22Å; A817-T819 VanDerWaalsContact C-N 3.25Å; A817-T819 PolarHBondContact O-N 3.27Å; A817-F820 WeakPolarHBondContact O-CB 3.43Å; A817-F820 PolarHBondContact O-N 3.36Å; A817-V846 HydrophobicContact CB-CG1 3.83Å
818	Q	95.5	Very high	92.2	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-24.2	-179.5	-75.9	-174.5	-13.6	0	0	114.3	I132 A150 L814 I815 Y816 F820 C821	I132-Q818 PolarHBondContact O-NE2 2.95Å; A150-Q818 HydrophobicContact CB-CG 4.25Å; A150-Q818 PolarHBondContact O-NE2 3.4Å; L814-Q818 HydrophobicContact CD1-CG 4.43Å; L814-Q818 WeakPolarHBondContact O-CB 3.47Å; L814-Q818 WeakPolarHBondContact O-CG 3.39Å; L814-Q818 PolarHBondContact O-N 2.78Å; I815-Q818 PolarHBondContact O-N 3.31Å; Y816-Q818 VanDerWaalsContact C-N 3.27Å; Y816-Q818 PolarHBondContact O-N 3.39Å; Q818-F820 PolarHBondContact O-N 2.9Å; Q818-F820 VanDerWaalsContact O-N 3.15Å; Q818-C821 WeakPolarHBondContact CA-SG 3.5Å; Q818-C821 PolarHBondContact O-N 2.93Å; Q818-C821 VanDerWaalsContact O-N 3.12Å; Q818-C821 PolarHBondContact O-SG 2.9Å; Q818-C821 VanDerWaalsContact O-SG 3.37Å
819	T	94.4	Very high	92.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.1	171.6	66.7	0	0	0	0	113	R201 M203 I680 I815 Y816 A817	R201-T819 VanDerWaalsContact CB-O 3.26Å; R201-T819 WeakPolarHBondContact CB-O 3.46Å; R201-T819 WeakPolarHBondContact CD-OG1 3.3Å; R201-T819 PolarHBondContact NH1-OG1 3.28Å; M203-T819 WeakPolarHBondContact CB-O 3.5Å; M203-T819 PolarHBondContact N-O 3Å; I680-T819 HydrophobicContact CD1-CG2 3.42Å; I680-T819 VanDerWaalsContact CD1-CG2 3.42Å; I815-T819 WeakPolarHBondContact O-CG2 3.4Å; I815-T819 PolarHBondContact O-N 3.26Å; I815-T819 VanDerWaalsContact O-N 3.15Å; Y816-T819 PolarHBondContact O-N 3.27Å; Y816-T819 PolarHBondContact O-OG1 3.36Å; A817-T819 VanDerWaalsContact C-N 3.25Å; A817-T819 PolarHBondContact O-N 3.27Å
820	F	94.2	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.8	177.4	-67.1	-81.1	0	0	0	114.3	F147 R201 Y816 A817 Q818 H822 Y842 L845 V846	F147-F820 HydrophobicContact CE2-CB 4.12Å; F147-F820 WeakPolarHBondContact CE2-O 3.39Å; R201-F820 HydrophobicContact CG-CD1 4.31Å; R201-F820 HydrophobicContact CG-CE1 3.9Å; R201-F820 HydrophobicContact CG-CZ 4.1Å; Y816-F820 HydrophobicContact CD2-CE2 4.39Å; Y816-F820 HydrophobicContact CE1-CD2 4.39Å; Y816-F820 AromaticContact CE1-CE2 3.95Å; Y816-F820 HydrophobicContact CE1-CE2 3.95Å; Y816-F820 AromaticContact CE2-CE2 3.78Å; Y816-F820 HydrophobicContact CE2-CE2 3.78Å; Y816-F820 AromaticContact CZ-CE2 3.51Å; Y816-F820 WeakPolarHBondContact O-CD2 3.39Å; A817-F820 WeakPolarHBondContact O-CB 3.43Å; A817-F820 PolarHBondContact O-N 3.36Å; Q818-F820 PolarHBondContact O-N 2.9Å; Q818-F820 VanDerWaalsContact O-N 3.15Å; F820-H822 PolarHBondContact O-CD2 3.33Å; F820-H822 PolarHBondContact O-N 3.15Å; F820-Y842 AromaticContact CD1-CD1 3.46Å; F820-Y842 HydrophobicContact CD1-CD1 3.46Å; F820-Y842 VanDerWaalsContact CD1-CD1 3.46Å; F820-Y842 AromaticContact CD1-CE1 3.9Å; F820-Y842 HydrophobicContact CD1-CE1 3.9Å; F820-Y842 HydrophobicContact CD1-CG 4.25Å; F820-Y842 HydrophobicContact CE1-CD1 4.07Å; F820-Y842 HydrophobicContact CE1-CE1 4.25Å; F820-Y842 HydrophobicContact CG-CD1 4.44Å; F820-L845 HydrophobicContact CD1-CD2 4.31Å; F820-L845 HydrophobicContact CE1-CD2 3.71Å; F820-L845 HydrophobicContact CZ-CD2 4.15Å; F820-V846 HydrophobicContact CB-CG2 3.78Å; F820-V846 HydrophobicContact CD2-CG2 3.54Å; F820-V846 HydrophobicContact CE2-CG2 4.23Å; F820-V846 HydrophobicContact CG-CG2 3.71Å
821	C	94.2	Very high	91.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.			trans	-62.6	132.7	177.2	-58.8	0	0	0	0	110.7	C151 Y154 P202 Q818	C151-C821 WeakPolarHBondContact CA-SG 3.05Å; C151-C821 HydrophobicContact CB-CB 3.74Å; C151-C821 WeakPolarHBondContact CB-SG 3.3Å; C151-C821 WeakPolarHBondContact SG-CA 3.16Å; C151-C821 WeakPolarHBondContact SG-CB 3.21Å; C151-C821 CovalentContact SG-SG 2.04Å; C151-C821 PolarHBondContact SG-SG 2.86Å; Y154-C821 HydrophobicContact CD1-CB 3.9Å; Y154-C821 HydrophobicContact CD2-CB 3.47Å; Y154-C821 VanDerWaalsContact CD2-CB 3.47Å; Y154-C821 HydrophobicContact CE1-CB 4.3Å; Y154-C821 HydrophobicContact CE2-CB 3.91Å; Y154-C821 HydrophobicContact CG-CB 3.46Å; Y154-C821 VanDerWaalsContact CG-CB 3.46Å; P202-C821 WeakPolarHBondContact CB-O 3.34Å; Q818-C821 WeakPolarHBondContact CA-SG 3.5Å; Q818-C821 PolarHBondContact O-N 2.93Å; Q818-C821 VanDerWaalsContact O-N 3.12Å; Q818-C821 PolarHBondContact O-SG 2.9Å; Q818-C821 VanDerWaalsContact O-SG 3.37Å
822	H	90.2	Very high	90.5	Very high	32 Å²	32	38.4 Å²	38.4	15%	0.148	18%	0.179	C	C	.	.			trans	-147	170.5	179.7	69.4	86.7	0	0	0	110.2	F147 P202 F820 M824 E829 Y842	F147-H822 AromaticContact CZ-CD2 3.81Å; F147-H822 AromaticContact CZ-NE2 3.83Å; P202-H822 HydrophobicContact CB-CB 3.69Å; P202-H822 HydrophobicContact CG-CB 4Å; F820-H822 PolarHBondContact O-CD2 3.33Å; F820-H822 PolarHBondContact O-N 3.15Å; H822-M824 HydrophobicContact CB-CE 4.23Å; H822-M824 HydrophobicContact CB-CG 4.48Å; H822-M824 WeakPolarHBondContact ND1-CB 3.5Å; H822-M824 WeakPolarHBondContact ND1-CE 3.4Å; H822-M824 PolarHBondContact ND1-N 2.92Å; H822-M824 VanDerWaalsContact ND1-N 3.19Å; H822-E829 IonicContact CE1-OE1 2.7Å; H822-E829 PolarHBondContact CE1-OE1 2.85Å; H822-E829 IonicContact NE2-OE1 2.58Å; H822-Y842 AromaticContact CD2-CD2 3.39Å; H822-Y842 WeakPolarHBondContact CD2-CD2 3.42Å; H822-Y842 AromaticContact CD2-CG 3.98Å; H822-Y842 AromaticContact NE2-CD2 3.8Å
823	D	85.7	Confident	89.8	Confident	124 Å²	124	38.4 Å²	38.4	66%	0.663	18%	0.179	S	C	*	.			trans	-132.6	63	175.6	-173.4	28.5	0	0	0	108.7	P156	P156-D823 HydrophobicContact CG-CB 4.09Å
824	M	84.8	Confident	88.8	Confident	54 Å²	54	40.3 Å²	40.3	27%	0.266	19%	0.19	S	C	.	.			trans	-102	148.4	178.8	-68.1	-175.1	-67.8	0	0	108.2	H822 D828 E829 Y842	H822-M824 HydrophobicContact CB-CE 4.23Å; H822-M824 HydrophobicContact CB-CG 4.48Å; H822-M824 WeakPolarHBondContact ND1-CB 3.5Å; H822-M824 WeakPolarHBondContact ND1-CE 3.4Å; H822-M824 PolarHBondContact ND1-N 2.92Å; H822-M824 VanDerWaalsContact ND1-N 3.19Å; M824-D828 HydrophobicContact CB-CB 4.09Å; M824-D828 HydrophobicContact CG-CB 4.44Å; M824-E829 HydrophobicContact CB-CG 4.09Å; M824-E829 HydrophobicContact CE-CG 3.95Å; M824-Y842 HydrophobicContact CE-CD2 3.53Å; M824-Y842 HydrophobicContact CE-CE2 3.38Å
825	D	88.3	Confident	87.5	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	21%	0.211	S	C	.	.			trans	-78.2	168.6	167.8	76.9	30.7	0	0	0	111.5	W827 D828 E829	D825-W827 PolarHBondContact O-N 2.86Å; D825-W827 WeakPolarHBondContact OD1-CA 3.47Å; D825-W827 WeakPolarHBondContact OD1-CB 3.22Å; D825-W827 PolarHBondContact OD1-N 3.4Å; D825-D828 PolarHBondContact O-N 2.95Å; D825-D828 PolarHBondContact OD1-N 2.94Å; D825-E829 PolarHBondContact O-N 3.23Å
826	L	88.4	Confident	86.1	Confident	101 Å²	101	47.5 Å²	47.5	53%	0.529	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-27.8	-179	-71.1	173.4	0	0	0	113.2	Y749 F750 Y830	Y749-L826 HydrophobicContact CD1-CD2 4.45Å; Y749-L826 HydrophobicContact CE1-CD2 3.63Å; F750-L826 HydrophobicContact CD1-CD2 4.43Å; F750-L826 HydrophobicContact CE1-CD2 4.42Å; L826-Y830 WeakPolarHBondContact O-CB 3.39Å; L826-Y830 PolarHBondContact O-N 3.32Å; L826-Y830 VanDerWaalsContact O-N 3.09Å
827	W	85.6	Confident	84.7	Confident	164 Å²	164	47.8 Å²	47.8	62%	0.621	22%	0.224	S	C	*	.	H	α-helix	trans	-76.9	-41.3	-179.7	-172	83.9	0	0	0	111	D825 E829 Y830 Y831	D825-W827 PolarHBondContact O-N 2.86Å; D825-W827 WeakPolarHBondContact OD1-CA 3.47Å; D825-W827 WeakPolarHBondContact OD1-CB 3.22Å; D825-W827 PolarHBondContact OD1-N 3.4Å; W827-E829 VanDerWaalsContact C-N 3.34Å; W827-Y830 PolarHBondContact O-N 2.93Å; W827-Y831 HydrophobicContact CH2-CD2 4.1Å; W827-Y831 HydrophobicContact CZ2-CD2 4.43Å; W827-Y831 WeakPolarHBondContact O-CB 3.5Å; W827-Y831 PolarHBondContact O-N 3.37Å
828	D	84.8	Confident	83.6	Confident	60 Å²	60	48 Å²	48	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-40.1	173.4	-75	-30.4	0	0	0	111.6	M824 D825 Y831 Q832	M824-D828 HydrophobicContact CB-CB 4.09Å; M824-D828 HydrophobicContact CG-CB 4.44Å; D825-D828 PolarHBondContact O-N 2.95Å; D825-D828 PolarHBondContact OD1-N 2.94Å; D828-Y831 PolarHBondContact O-N 3.37Å; D828-Q832 WeakPolarHBondContact O-CB 3.08Å; D828-Q832 PolarHBondContact O-N 3.35Å
829	E	86.2	Confident	83	Confident	9 Å²	9	48.6 Å²	48.6	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-43.3	173.1	-74.6	-176.5	-155.8	0	0	112.8	Y749 F750 H822 M824 D825 W827 Q832 M833 P841	Y749-E829 WeakPolarHBondContact CE1-OE2 3.36Å; Y749-E829 PolarHBondContact OH-OE1 2.82Å; Y749-E829 PolarHBondContact OH-OE2 2.7Å; Y749-E829 VanDerWaalsContact OH-OE2 3.06Å; F750-E829 HydrophobicContact CE1-CB 4.39Å; F750-E829 HydrophobicContact CZ-CB 4.3Å; H822-E829 IonicContact CE1-OE1 2.7Å; H822-E829 PolarHBondContact CE1-OE1 2.85Å; H822-E829 IonicContact NE2-OE1 2.58Å; M824-E829 HydrophobicContact CB-CG 4.09Å; M824-E829 HydrophobicContact CE-CG 3.95Å; D825-E829 PolarHBondContact O-N 3.23Å; W827-E829 VanDerWaalsContact C-N 3.34Å; E829-Q832 WeakPolarHBondContact O-CB 3.35Å; E829-Q832 PolarHBondContact O-N 3.38Å; E829-M833 WeakPolarHBondContact O-CB 3.42Å; E829-M833 PolarHBondContact O-N 3.02Å; E829-P841 WeakPolarHBondContact OE2-CB 3.34Å
830	Y	86	Confident	82.7	Confident	71 Å²	71	48.8 Å²	48.8	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-46.8	174.1	175.8	-102.5	0	0	0	110.6	F752 M760 L826 W827 Q832 M833 I834	F752-Y830 HydrophobicContact CE2-CD2 4.05Å; F752-Y830 HydrophobicContact CE2-CE2 4.11Å; F752-Y830 AromaticContact CZ-CD2 3.7Å; F752-Y830 HydrophobicContact CZ-CD2 3.7Å; F752-Y830 AromaticContact CZ-CE2 3.88Å; F752-Y830 HydrophobicContact CZ-CE2 3.88Å; M760-Y830 HydrophobicContact CE-CD2 4.3Å; M760-Y830 HydrophobicContact CE-CE2 3.71Å; M760-Y830 HydrophobicContact SD-CE2 4.08Å; L826-Y830 WeakPolarHBondContact O-CB 3.39Å; L826-Y830 PolarHBondContact O-N 3.32Å; L826-Y830 VanDerWaalsContact O-N 3.09Å; W827-Y830 PolarHBondContact O-N 2.93Å; Y830-Q832 VanDerWaalsContact C-N 3.3Å; Y830-Q832 PolarHBondContact O-N 3.01Å; Y830-M833 WeakPolarHBondContact O-CB 3.47Å; Y830-M833 PolarHBondContact O-N 3.35Å; Y830-M833 VanDerWaalsContact O-N 3.13Å; Y830-I834 HydrophobicContact CD1-CD1 4.14Å; Y830-I834 HydrophobicContact CD1-CG1 4.27Å; Y830-I834 HydrophobicContact CD2-CG2 4.5Å; Y830-I834 HydrophobicContact CE1-CD1 3.46Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.46Å; Y830-I834 HydrophobicContact CE1-CG1 4Å; Y830-I834 HydrophobicContact CE2-CG2 4.02Å; Y830-I834 WeakPolarHBondContact O-CG1 3.2Å; Y830-I834 PolarHBondContact O-N 3.38Å
831	Y	82.3	Confident	82.6	Confident	77 Å²	77	49 Å²	49	30%	0.302	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-38	177.6	-170.1	-93.8	0	0	0	112.1	W827 D828 I835 R836	W827-Y831 HydrophobicContact CH2-CD2 4.1Å; W827-Y831 HydrophobicContact CZ2-CD2 4.43Å; W827-Y831 WeakPolarHBondContact O-CB 3.5Å; W827-Y831 PolarHBondContact O-N 3.37Å; D828-Y831 PolarHBondContact O-N 3.37Å; Y831-I835 HydrophobicContact CD2-CB 4.4Å; Y831-I835 HydrophobicContact CD2-CD1 3.56Å; Y831-I835 HydrophobicContact CE1-CB 4.3Å; Y831-I835 HydrophobicContact CE1-CG2 4.04Å; Y831-I835 HydrophobicContact CE2-CB 4.16Å; Y831-I835 HydrophobicContact CE2-CD1 3.28Å; Y831-I835 HydrophobicContact CE2-CG1 4.29Å; Y831-I835 HydrophobicContact CE2-CG2 4.13Å; Y831-I835 HydrophobicContact CG-CD1 4.46Å; Y831-I835 WeakPolarHBondContact O-CA 3.29Å; Y831-I835 WeakPolarHBondContact O-CB 3.2Å; Y831-I835 PolarHBondContact O-N 2.91Å; Y831-R836 HydrophobicContact CD1-CG 3.61Å; Y831-R836 HydrophobicContact CE1-CG 3.5Å; Y831-R836 PolarHBondContact O-N 3.44Å
832	Q	79.7	Confident	82.6	Confident	11 Å²	11	49.5 Å²	49.5	5%	0.051	23%	0.232	C	C	.	.	I	π-helix	trans	-60.4	-49.8	172.4	-175	76.3	-9.8	0	0	110.7	D828 E829 Y830 I834 R836 T837 Y842	D828-Q832 WeakPolarHBondContact O-CB 3.08Å; D828-Q832 PolarHBondContact O-N 3.35Å; E829-Q832 WeakPolarHBondContact O-CB 3.35Å; E829-Q832 PolarHBondContact O-N 3.38Å; Y830-Q832 VanDerWaalsContact C-N 3.3Å; Y830-Q832 PolarHBondContact O-N 3.01Å; Q832-I834 PolarHBondContact O-N 2.67Å; Q832-R836 PolarHBondContact O-N 3.35Å; Q832-T837 CarbonylContact O-C 3.15Å; Q832-T837 PolarHBondContact O-N 3.48Å; Q832-Y842 PolarHBondContact NE2-OH 3.23Å
833	M	80.9	Confident	82.8	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.233	C	C	.	.	I	π-helix	trans	-60.5	-39.4	-178.7	-179.9	-171.4	-178.4	0	0	113.4	F750 M760 I764 I767 E829 Y830 P838 Q839	F750-M833 HydrophobicContact CE2-SD 3.72Å; F750-M833 HydrophobicContact CZ-SD 4.39Å; M760-M833 HydrophobicContact CE-CE 3.63Å; M760-M833 HydrophobicContact CE-SD 3.81Å; I764-M833 HydrophobicContact CD1-CE 3.66Å; I767-M833 HydrophobicContact CD1-CE 3.47Å; I767-M833 VanDerWaalsContact CD1-CE 3.47Å; I767-M833 HydrophobicContact CG2-CG 4.24Å; E829-M833 WeakPolarHBondContact O-CB 3.42Å; E829-M833 PolarHBondContact O-N 3.02Å; Y830-M833 WeakPolarHBondContact O-CB 3.47Å; Y830-M833 PolarHBondContact O-N 3.35Å; Y830-M833 VanDerWaalsContact O-N 3.13Å; M833-P838 WeakPolarHBondContact O-CA 3.47Å; M833-Q839 VanDerWaalsContact CA-O 3.29Å; M833-Q839 WeakPolarHBondContact CA-O 3.42Å; M833-Q839 WeakPolarHBondContact CB-O 3.42Å; M833-Q839 VanDerWaalsContact CG-O 3.32Å; M833-Q839 WeakPolarHBondContact CG-O 3.35Å
834	I	77.4	Confident	83.2	Confident	43 Å²	43	44.1 Å²	44.1	22%	0.221	20%	0.204	C	C	.	.	I	π-helix	trans	-99.5	-30.3	-174.5	58.7	149.6	0	0	0	114.6	M760 Y830 Q832	M760-I834 HydrophobicContact CE-CG2 3.96Å; Y830-I834 HydrophobicContact CD1-CD1 4.14Å; Y830-I834 HydrophobicContact CD1-CG1 4.27Å; Y830-I834 HydrophobicContact CD2-CG2 4.5Å; Y830-I834 HydrophobicContact CE1-CD1 3.46Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.46Å; Y830-I834 HydrophobicContact CE1-CG1 4Å; Y830-I834 HydrophobicContact CE2-CG2 4.02Å; Y830-I834 WeakPolarHBondContact O-CG1 3.2Å; Y830-I834 PolarHBondContact O-N 3.38Å; Q832-I834 PolarHBondContact O-N 2.67Å
835	I	68.9	Low	83.7	Confident	87 Å²	87	41.6 Å²	41.6	45%	0.446	19%	0.191	S	C	.	.	I	π-helix	trans	-119.1	-51.6	-168.8	-68	164	0	0	0	112.6	Y831	Y831-I835 HydrophobicContact CD2-CB 4.4Å; Y831-I835 HydrophobicContact CD2-CD1 3.56Å; Y831-I835 HydrophobicContact CE1-CB 4.3Å; Y831-I835 HydrophobicContact CE1-CG2 4.04Å; Y831-I835 HydrophobicContact CE2-CB 4.16Å; Y831-I835 HydrophobicContact CE2-CD1 3.28Å; Y831-I835 HydrophobicContact CE2-CG1 4.29Å; Y831-I835 HydrophobicContact CE2-CG2 4.13Å; Y831-I835 HydrophobicContact CG-CD1 4.46Å; Y831-I835 WeakPolarHBondContact O-CA 3.29Å; Y831-I835 WeakPolarHBondContact O-CB 3.2Å; Y831-I835 PolarHBondContact O-N 2.91Å
836	R	65.5	Low	84.1	Confident	69 Å²	69	37.2 Å²	37.2	26%	0.26	17%	0.168	S	C	.	.	I	π-helix	trans	-82	-47.2	-168.1	-66.2	-179.6	171.8	-154.6	-0.2	114.9	E165 A176 Y831 Q832	E165-R836 IonicContact OE2-NH2 3.13Å; A176-R836 WeakPolarHBondContact CB-O 3.07Å; Y831-R836 HydrophobicContact CD1-CG 3.61Å; Y831-R836 HydrophobicContact CE1-CG 3.5Å; Y831-R836 PolarHBondContact O-N 3.44Å; Q832-R836 PolarHBondContact O-N 3.35Å
837	T	68.3	Low	84.5	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.037	15%	0.148	C	C	.	.	S	Bend	trans	-156.3	101.1	177.7	-57.2	0	0	0	0	108	H172 V175 Q832 Q839	H172-T837 PolarHBondContact CD2-OG1 3.18Å; V175-T837 HydrophobicContact CB-CG2 4.42Å; V175-T837 HydrophobicContact CG1-CG2 3.81Å; Q832-T837 CarbonylContact O-C 3.15Å; Q832-T837 PolarHBondContact O-N 3.48Å; T837-Q839 HydrophobicContact CG2-CG 4.17Å; T837-Q839 PolarHBondContact O-N 3.22Å
838	P	74.1	Confident	85	Confident	5 Å²	5	25.9 Å²	25.9	3%	0.032	12%	0.12	C	C	.	.			trans	-58.9	94.5	-173.8	-26.5	35	0	0	0	113.6	K766 I767 M833	K766-P838 HydrophobicContact CB-CB 3.87Å; K766-P838 HydrophobicContact CD-CB 4.48Å; K766-P838 HydrophobicContact CD-CG 4.46Å; I767-P838 VanDerWaalsContact CG2-C 3.49Å; I767-P838 HydrophobicContact CG2-CB 4.09Å; M833-P838 WeakPolarHBondContact O-CA 3.47Å
839	Q	82.3	Confident	85.4	Confident	15 Å²	15	23 Å²	23	7%	0.07	11%	0.105	C	C	.	.			trans	-141	150.6	176.3	-66.2	-168.5	-13.5	0	0	108.1	S770 M833 T837	S770-Q839 WeakPolarHBondContact OG-CG 3.4Å; S770-Q839 PolarHBondContact OG-NE2 3.05Å; M833-Q839 VanDerWaalsContact CA-O 3.29Å; M833-Q839 WeakPolarHBondContact CA-O 3.42Å; M833-Q839 WeakPolarHBondContact CB-O 3.42Å; M833-Q839 VanDerWaalsContact CG-O 3.32Å; M833-Q839 WeakPolarHBondContact CG-O 3.35Å; T837-Q839 HydrophobicContact CG2-CG 4.17Å; T837-Q839 PolarHBondContact O-N 3.22Å
840	P	88.9	Confident	85.9	Confident	4 Å²	4	22.6 Å²	22.6	3%	0.026	10%	0.103	C	C	.	.			trans	-67	167.3	169.9	27.2	-22.4	0	0	0	109.8	I742 I767 V771 Y842 V844 L845	I742-P840 HydrophobicContact CD1-CG 4.48Å; I767-P840 HydrophobicContact CD1-CB 4.04Å; V771-P840 HydrophobicContact CG2-CG 3.64Å; P840-Y842 PolarHBondContact O-N 3.36Å; P840-V844 HydrophobicContact CB-CB 4.2Å; P840-V844 HydrophobicContact CB-CG1 3.95Å; P840-L845 HydrophobicContact CG-CB 4Å; P840-L845 HydrophobicContact CG-CD1 4.2Å
841	P	92	Very high	86.2	Confident	5 Å²	5	20.4 Å²	20.4	3%	0.032	10%	0.096	C	C	.	.			trans	-42.1	137.4	166.4	-32.8	38.6	0	0	0	111.6	Y749 F750 E829 E843 V844 L845	Y749-P841 HydrophobicContact CD1-CB 3.93Å; Y749-P841 HydrophobicContact CD1-CG 3.59Å; Y749-P841 HydrophobicContact CE1-CB 3.76Å; Y749-P841 HydrophobicContact CE1-CG 3.79Å; Y749-P841 HydrophobicContact CE2-CB 4.4Å; Y749-P841 HydrophobicContact CG-CB 4.35Å; Y749-P841 HydrophobicContact CG-CG 4.21Å; F750-P841 HydrophobicContact CD2-CG 4.37Å; F750-P841 HydrophobicContact CE1-CG 4.43Å; F750-P841 HydrophobicContact CE2-CG 3.39Å; F750-P841 HydrophobicContact CZ-CG 3.43Å; F750-P841 VanDerWaalsContact CZ-CG 3.43Å; E829-P841 WeakPolarHBondContact OE2-CB 3.34Å; P841-E843 PolarHBondContact O-N 3.48Å; P841-V844 HydrophobicContact CB-CB 4.18Å; P841-V844 HydrophobicContact CB-CG2 3.98Å; P841-V844 HydrophobicContact CG-CG2 4.24Å; P841-V844 CarbonylContact O-C 3.57Å; P841-V844 WeakPolarHBondContact O-CA 3.41Å; P841-V844 WeakPolarHBondContact O-CB 3.45Å; P841-V844 PolarHBondContact O-N 3.36Å; P841-L845 PolarHBondContact O-N 3.34Å
842	Y	93.2	Very high	86.6	Confident	11 Å²	11	17.8 Å²	17.8	4%	0.043	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-32.9	-174.1	-68.8	-58.9	0	0	0	112.4	P202 F820 H822 M824 Q832 P840 L845 V846	P202-Y842 HydrophobicContact CG-CD2 3.65Å; P202-Y842 HydrophobicContact CG-CE1 4.16Å; P202-Y842 HydrophobicContact CG-CE2 3.21Å; P202-Y842 HydrophobicContact CG-CG 4.27Å; F820-Y842 AromaticContact CD1-CD1 3.46Å; F820-Y842 HydrophobicContact CD1-CD1 3.46Å; F820-Y842 VanDerWaalsContact CD1-CD1 3.46Å; F820-Y842 AromaticContact CD1-CE1 3.9Å; F820-Y842 HydrophobicContact CD1-CE1 3.9Å; F820-Y842 HydrophobicContact CD1-CG 4.25Å; F820-Y842 HydrophobicContact CE1-CD1 4.07Å; F820-Y842 HydrophobicContact CE1-CE1 4.25Å; F820-Y842 HydrophobicContact CG-CD1 4.44Å; H822-Y842 AromaticContact CD2-CD2 3.39Å; H822-Y842 WeakPolarHBondContact CD2-CD2 3.42Å; H822-Y842 AromaticContact CD2-CG 3.98Å; H822-Y842 AromaticContact NE2-CD2 3.8Å; M824-Y842 HydrophobicContact CE-CD2 3.53Å; M824-Y842 HydrophobicContact CE-CE2 3.38Å; Q832-Y842 PolarHBondContact NE2-OH 3.23Å; P840-Y842 PolarHBondContact O-N 3.36Å; Y842-L845 HydrophobicContact CD1-CD2 4.24Å; Y842-L845 PolarHBondContact O-N 3.34Å; Y842-V846 WeakPolarHBondContact O-CB 3.5Å; Y842-V846 WeakPolarHBondContact O-CG2 3.49Å; Y842-V846 PolarHBondContact O-N 2.96Å
843	E	95	Very high	87.2	Confident	32 Å²	32	17.6 Å²	17.6	15%	0.15	9%	0.086	C	C	.	.	H	α-helix	trans	-58.9	-48.4	170.2	179.1	168.8	158.2	0	0	112.2	N145 F147 Q148 Y749 P841 N847	N145-E843 PolarHBondContact ND2-OE1 3.36Å; F147-E843 HydrophobicContact CB-CB 4.32Å; F147-E843 HydrophobicContact CB-CG 4.01Å; F147-E843 HydrophobicContact CD1-CB 3.58Å; F147-E843 HydrophobicContact CD1-CG 3.78Å; F147-E843 HydrophobicContact CE1-CB 3.96Å; F147-E843 HydrophobicContact CG-CB 3.9Å; F147-E843 HydrophobicContact CG-CG 4.08Å; Q148-E843 PolarHBondContact NE2-OE2 3.44Å; Y749-E843 HydrophobicContact CE2-CB 3.92Å; Y749-E843 HydrophobicContact CE2-CG 4.14Å; P841-E843 PolarHBondContact O-N 3.48Å; E843-N847 WeakPolarHBondContact O-CB 3.34Å; E843-N847 VanDerWaalsContact O-CG 3.29Å; E843-N847 PolarHBondContact O-N 3.04Å; E843-N847 VanDerWaalsContact O-N 3.08Å; E843-N847 PolarHBondContact O-ND2 2.94Å
844	V	95.3	Very high	87.7	Confident	11 Å²	11	20.2 Å²	20.2	7%	0.067	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-43	177.5	173.2	0	0	0	0	110.6	I742 A745 Y749 P840 P841 H848	I742-V844 HydrophobicContact CD1-CG1 4.23Å; A745-V844 HydrophobicContact CB-CG1 3.69Å; Y749-V844 HydrophobicContact CD2-CG2 3.68Å; Y749-V844 HydrophobicContact CG-CG2 3.73Å; P840-V844 HydrophobicContact CB-CB 4.2Å; P840-V844 HydrophobicContact CB-CG1 3.95Å; P841-V844 HydrophobicContact CB-CB 4.18Å; P841-V844 HydrophobicContact CB-CG2 3.98Å; P841-V844 HydrophobicContact CG-CG2 4.24Å; P841-V844 CarbonylContact O-C 3.57Å; P841-V844 WeakPolarHBondContact O-CA 3.41Å; P841-V844 WeakPolarHBondContact O-CB 3.45Å; P841-V844 PolarHBondContact O-N 3.36Å; V844-H848 WeakPolarHBondContact O-CB 3.41Å; V844-H848 PolarHBondContact O-N 3.14Å
845	L	94.8	Very high	88.5	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.7	-57.4	178.7	-179.8	61.1	0	0	0	111.6	V771 E774 F820 P840 P841 Y842 H848 I849	V771-L845 HydrophobicContact CB-CD1 4.2Å; V771-L845 HydrophobicContact CG2-CD1 3.67Å; E774-L845 HydrophobicContact CB-CD1 4.48Å; E774-L845 HydrophobicContact CG-CD2 4.47Å; F820-L845 HydrophobicContact CD1-CD2 4.31Å; F820-L845 HydrophobicContact CE1-CD2 3.71Å; F820-L845 HydrophobicContact CZ-CD2 4.15Å; P840-L845 HydrophobicContact CG-CB 4Å; P840-L845 HydrophobicContact CG-CD1 4.2Å; P841-L845 PolarHBondContact O-N 3.34Å; Y842-L845 HydrophobicContact CD1-CD2 4.24Å; Y842-L845 PolarHBondContact O-N 3.34Å; L845-H848 PolarHBondContact O-N 3.11Å; L845-I849 HydrophobicContact CD1-CD1 3.81Å; L845-I849 HydrophobicContact CD1-CG1 4.5Å; L845-I849 HydrophobicContact CG-CD1 4.01Å; L845-I849 VanDerWaalsContact O-CG1 3.27Å; L845-I849 WeakPolarHBondContact O-CG1 3.46Å; L845-I849 PolarHBondContact O-N 3.14Å
846	V	96.7	Very high	89.8	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.5	-48.2	-175.5	171	0	0	0	0	110.4	F146 F147 A817 F820 Y842 H848 I849 M850	F146-V846 HydrophobicContact CD1-CG1 4.28Å; F147-V846 HydrophobicContact CB-CB 4.38Å; F147-V846 HydrophobicContact CB-CG1 4.35Å; F147-V846 HydrophobicContact CD2-CB 4.06Å; F147-V846 HydrophobicContact CD2-CG1 4.43Å; F147-V846 HydrophobicContact CD2-CG2 4.03Å; A817-V846 HydrophobicContact CB-CG1 3.83Å; F820-V846 HydrophobicContact CB-CG2 3.78Å; F820-V846 HydrophobicContact CD2-CG2 3.54Å; F820-V846 HydrophobicContact CE2-CG2 4.23Å; F820-V846 HydrophobicContact CG-CG2 3.71Å; Y842-V846 WeakPolarHBondContact O-CB 3.5Å; Y842-V846 WeakPolarHBondContact O-CG2 3.49Å; Y842-V846 PolarHBondContact O-N 2.96Å; V846-H848 VanDerWaalsContact C-N 3.32Å; V846-H848 PolarHBondContact O-N 2.8Å; V846-I849 PolarHBondContact O-N 3.06Å; V846-M850 HydrophobicContact CG1-CE 4.15Å; V846-M850 HydrophobicContact CG1-CG 4.49Å; V846-M850 WeakPolarHBondContact O-CG 3.42Å; V846-M850 PolarHBondContact O-N 2.9Å
847	N	96.6	Very high	91.3	Very high	18 Å²	18	13.2 Å²	13.2	10%	0.096	7%	0.072	C	C	.	.	H	α-helix	trans	-64	-37.1	-179.5	-76.6	-23.4	0	0	0	112.3	N145 F146 F147 E843 N851 M868	N145-N847 PolarHBondContact OD1-ND2 3.44Å; F146-N847 PolarHBondContact N-OD1 3.11Å; F147-N847 PolarHBondContact N-OD1 3.12Å; E843-N847 WeakPolarHBondContact O-CB 3.34Å; E843-N847 VanDerWaalsContact O-CG 3.29Å; E843-N847 PolarHBondContact O-N 3.04Å; E843-N847 VanDerWaalsContact O-N 3.08Å; E843-N847 PolarHBondContact O-ND2 2.94Å; N847-N851 WeakPolarHBondContact O-CB 3.48Å; N847-N851 PolarHBondContact O-N 3.15Å; N847-N851 VanDerWaalsContact O-N 3.09Å; N847-M868 HydrophobicContact CB-CE 3.53Å; N847-M868 HydrophobicContact CB-SD 4.06Å
848	H	95.1	Very high	92.6	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-46.3	174.1	-178.3	96.9	0	0	0	111.4	Q741 I742 V771 V844 L845 V846 M850 N851 E852	Q741-H848 PolarHBondContact OE1-CE1 3.33Å; I742-H848 HydrophobicContact CD1-CB 3.85Å; I742-H848 VanDerWaalsContact CD1-CG 3.5Å; I742-H848 WeakPolarHBondContact CD1-ND1 3.26Å; V771-H848 WeakPolarHBondContact CG1-CD2 3.22Å; V844-H848 WeakPolarHBondContact O-CB 3.41Å; V844-H848 PolarHBondContact O-N 3.14Å; L845-H848 PolarHBondContact O-N 3.11Å; V846-H848 VanDerWaalsContact C-N 3.32Å; V846-H848 PolarHBondContact O-N 2.8Å; H848-M850 VanDerWaalsContact C-N 3.32Å; H848-M850 PolarHBondContact O-N 3.04Å; H848-N851 PolarHBondContact O-N 3.24Å; H848-N851 VanDerWaalsContact O-N 3.15Å; H848-N851 PolarHBondContact O-OD1 2.97Å; H848-E852 PolarHBondContact O-N 3.26Å
849	I	95.1	Very high	93.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-42.6	179.1	-66.8	166.6	0	0	0	111.5	E774 A775 L778 Y816 L845 V846 N851 E852 L853	E774-I849 HydrophobicContact CB-CD1 3.45Å; E774-I849 VanDerWaalsContact CB-CD1 3.45Å; A775-I849 HydrophobicContact CB-CG1 4.14Å; A775-I849 HydrophobicContact CB-CG2 4.31Å; L778-I849 HydrophobicContact CB-CG2 4.43Å; L778-I849 HydrophobicContact CD2-CG2 3.57Å; Y816-I849 WeakPolarHBondContact OH-CD1 3.32Å; L845-I849 HydrophobicContact CD1-CD1 3.81Å; L845-I849 HydrophobicContact CD1-CG1 4.5Å; L845-I849 HydrophobicContact CG-CD1 4.01Å; L845-I849 VanDerWaalsContact O-CG1 3.27Å; L845-I849 WeakPolarHBondContact O-CG1 3.46Å; L845-I849 PolarHBondContact O-N 3.14Å; V846-I849 PolarHBondContact O-N 3.06Å; I849-N851 VanDerWaalsContact C-N 3.29Å; I849-N851 PolarHBondContact O-N 2.92Å; I849-E852 PolarHBondContact O-N 3.4Å; I849-L853 HydrophobicContact CG2-CD1 4.08Å; I849-L853 WeakPolarHBondContact O-CG 3.42Å; I849-L853 PolarHBondContact O-N 3.21Å
850	M	95.4	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-36.3	177.1	-65	-46	131.3	0	0	112.7	F146 L778 Y813 Y816 V846 H848 E852 L853 F856 M868	F146-M850 HydrophobicContact CB-CG 4.14Å; F146-M850 HydrophobicContact CD1-CE 4.41Å; F146-M850 HydrophobicContact CD1-CG 3.58Å; F146-M850 HydrophobicContact CD1-SD 4.03Å; F146-M850 HydrophobicContact CE1-CE 4.47Å; F146-M850 HydrophobicContact CE1-CG 4.3Å; F146-M850 HydrophobicContact CE1-SD 4.14Å; F146-M850 HydrophobicContact CG-CG 4.07Å; L778-M850 HydrophobicContact CD2-CE 3.61Å; L778-M850 HydrophobicContact CD2-SD 4.46Å; Y813-M850 HydrophobicContact CD1-CE 4.34Å; Y813-M850 HydrophobicContact CD1-SD 3.76Å; Y813-M850 HydrophobicContact CE1-SD 4.27Å; Y816-M850 HydrophobicContact CD1-CE 3.33Å; Y816-M850 HydrophobicContact CE1-CE 3.36Å; V846-M850 HydrophobicContact CG1-CE 4.15Å; V846-M850 HydrophobicContact CG1-CG 4.49Å; V846-M850 WeakPolarHBondContact O-CG 3.42Å; V846-M850 PolarHBondContact O-N 2.9Å; H848-M850 VanDerWaalsContact C-N 3.32Å; H848-M850 PolarHBondContact O-N 3.04Å; M850-E852 VanDerWaalsContact C-N 3.31Å; M850-E852 PolarHBondContact O-N 2.98Å; M850-L853 PolarHBondContact O-N 2.87Å; M850-F856 HydrophobicContact CB-CD1 3.74Å; M850-F856 HydrophobicContact CB-CD2 4.22Å; M850-F856 HydrophobicContact CB-CE1 3.82Å; M850-F856 HydrophobicContact CB-CE2 4.22Å; M850-F856 HydrophobicContact CB-CG 3.97Å; M850-F856 HydrophobicContact CB-CZ 4.04Å; M850-F856 HydrophobicContact CG-CD1 4.41Å; M850-F856 HydrophobicContact CG-CD2 4.02Å; M850-F856 HydrophobicContact CG-CE1 4.33Å; M850-F856 HydrophobicContact CG-CE2 3.86Å; M850-F856 HydrophobicContact CG-CG 4.28Å; M850-F856 HydrophobicContact CG-CZ 4.04Å; M850-F856 WeakPolarHBondContact O-CD1 3.47Å; M850-F856 HydrophobicContact SD-CB 4.43Å; M850-F856 HydrophobicContact SD-CD2 3.32Å; M850-F856 WeakPolarHBondContact SD-CD2 3.47Å; M850-F856 HydrophobicContact SD-CE2 3.61Å; M850-F856 HydrophobicContact SD-CG 3.83Å; M850-F856 HydrophobicContact SD-CZ 4.37Å; M850-M868 HydrophobicContact CB-SD 3.83Å
851	N	92.5	Very high	94.6	Very high	25 Å²	25	25.2 Å²	25.2	13%	0.134	14%	0.136	C	C	.	.	H	α-helix	trans	-71	-29.2	-178.7	85.1	25.1	0	0	0	112.4	N847 H848 I849 P867 P870 R873	N847-N851 WeakPolarHBondContact O-CB 3.48Å; N847-N851 PolarHBondContact O-N 3.15Å; N847-N851 VanDerWaalsContact O-N 3.09Å; H848-N851 PolarHBondContact O-N 3.24Å; H848-N851 VanDerWaalsContact O-N 3.15Å; H848-N851 PolarHBondContact O-OD1 2.97Å; I849-N851 VanDerWaalsContact C-N 3.29Å; I849-N851 PolarHBondContact O-N 2.92Å; N851-P867 WeakPolarHBondContact CB-O 3.42Å; N851-P870 HydrophobicContact CB-CG 3.97Å; N851-P870 WeakPolarHBondContact O-CD 3.44Å; N851-R873 PolarHBondContact O-NE 2.71Å
852	E	90.7	Very high	94.9	Very high	22 Å²	22	25.4 Å²	25.4	10%	0.103	14%	0.137	C	C	.	.	H	α-helix	trans	-80	-23.2	179.5	-71.7	-55	131.3	0	0	112.9	Q741 H848 I849 M850 P854 R873 C874	Q741-E852 PolarHBondContact NE2-OE1 2.86Å; Q741-E852 PolarHBondContact OE1-OE1 3.34Å; H848-E852 PolarHBondContact O-N 3.26Å; I849-E852 PolarHBondContact O-N 3.4Å; M850-E852 VanDerWaalsContact C-N 3.31Å; M850-E852 PolarHBondContact O-N 2.98Å; E852-P854 WeakPolarHBondContact O-CD 3.29Å; E852-R873 WeakPolarHBondContact O-CD 3.42Å; E852-C874 PolarHBondContact OE1-N 2.88Å; E852-C874 WeakPolarHBondContact OE2-CA 3.38Å; E852-C874 PolarHBondContact OE2-N 2.87Å
853	L	92	Very high	95	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	16%	0.161	C	C	.	.			trans	-92.6	111.7	-178.1	-66	177.2	0	0	0	112.7	L778 D779 Y813 I849 M850 D855 F856	L778-L853 HydrophobicContact CD2-CD1 3.62Å; L778-L853 HydrophobicContact CG-CD1 3.99Å; D779-L853 HydrophobicContact CB-CD2 3.95Å; Y813-L853 HydrophobicContact CE1-CD1 4.28Å; I849-L853 HydrophobicContact CG2-CD1 4.08Å; I849-L853 WeakPolarHBondContact O-CG 3.42Å; I849-L853 PolarHBondContact O-N 3.21Å; M850-L853 PolarHBondContact O-N 2.87Å; L853-D855 VanDerWaalsContact C-N 3.34Å; L853-D855 PolarHBondContact O-N 2.97Å; L853-F856 HydrophobicContact CB-CB 4.13Å; L853-F856 WeakPolarHBondContact O-CB 3.22Å; L853-F856 PolarHBondContact O-N 2.87Å
854	P	92.7	Very high	95.1	Very high	56 Å²	56	32.4 Å²	32.4	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-59.1	-42.3	176.6	-20	31.4	0	0	0	113.8	E852 F856 S857 D858 R873	E852-P854 WeakPolarHBondContact O-CD 3.29Å; P854-F856 PolarHBondContact O-N 2.93Å; P854-S857 WeakPolarHBondContact O-CB 3.48Å; P854-S857 PolarHBondContact O-N 3.47Å; P854-D858 PolarHBondContact O-N 3.34Å; P854-R873 VanDerWaalsContact CG-NH1 3.34Å
855	D	93.7	Very high	95	Very high	50 Å²	50	34.2 Å²	34.2	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-60.9	-28.2	-179.1	-59.8	-103	0	0	0	112.8	R782 L853 T859	R782-D855 IonicContact CZ-OD1 2.83Å; R782-D855 IonicContact CZ-OD2 2.61Å; R782-D855 VanDerWaalsContact CZ-OD2 3.31Å; R782-D855 IonicContact NH1-OD1 3.19Å; R782-D855 PolarHBondContact NH1-OD1 3.15Å; R782-D855 IonicContact NH1-OD2 2.75Å; R782-D855 PolarHBondContact NH1-OD2 3.26Å; R782-D855 IonicContact NH2-OD1 2.62Å; R782-D855 IonicContact NH2-OD2 2.96Å; R782-D855 PolarHBondContact NH2-OD2 2.6Å; L853-D855 VanDerWaalsContact C-N 3.34Å; L853-D855 PolarHBondContact O-N 2.97Å; D855-T859 VanDerWaalsContact O-CB 3.26Å; D855-T859 WeakPolarHBondContact O-CB 3.33Å; D855-T859 PolarHBondContact O-N 3.35Å; D855-T859 PolarHBondContact O-OG1 3.09Å
856	F	96.2	Very high	95.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-50.9	172.8	169.9	-91.4	0	0	0	110.6	F146 Y813 M850 L853 P854 D858 T859 F860 M868	F146-F856 HydrophobicContact CB-CZ 4.08Å; F146-F856 AromaticContact CD1-CE2 3.92Å; F146-F856 HydrophobicContact CD1-CE2 3.92Å; F146-F856 HydrophobicContact CD1-CZ 4.19Å; F146-F856 AromaticContact CD2-CE2 3.66Å; F146-F856 HydrophobicContact CD2-CE2 3.66Å; F146-F856 AromaticContact CD2-CZ 3.45Å; F146-F856 HydrophobicContact CD2-CZ 3.45Å; F146-F856 VanDerWaalsContact CD2-CZ 3.45Å; F146-F856 AromaticContact CE1-CE2 3.86Å; F146-F856 HydrophobicContact CE1-CE2 3.86Å; F146-F856 AromaticContact CE2-CE2 3.62Å; F146-F856 HydrophobicContact CE2-CE2 3.62Å; F146-F856 AromaticContact CE2-CZ 3.87Å; F146-F856 HydrophobicContact CE2-CZ 3.87Å; F146-F856 AromaticContact CG-CE2 3.81Å; F146-F856 HydrophobicContact CG-CE2 3.81Å; F146-F856 AromaticContact CG-CZ 3.63Å; F146-F856 HydrophobicContact CG-CZ 3.63Å; F146-F856 AromaticContact CZ-CE2 3.72Å; F146-F856 HydrophobicContact CZ-CE2 3.72Å; F146-F856 HydrophobicContact CZ-CZ 4.38Å; Y813-F856 HydrophobicContact CD1-CB 4.49Å; Y813-F856 AromaticContact CD1-CD2 3.78Å; Y813-F856 HydrophobicContact CD1-CD2 3.78Å; Y813-F856 HydrophobicContact CD2-CD2 4.01Å; Y813-F856 HydrophobicContact CE1-CB 3.94Å; Y813-F856 HydrophobicContact CE1-CD2 4.08Å; Y813-F856 HydrophobicContact CE2-CB 4.25Å; Y813-F856 HydrophobicContact CE2-CD2 4.3Å; Y813-F856 AromaticContact CG-CD2 3.72Å; Y813-F856 HydrophobicContact CG-CD2 3.72Å; Y813-F856 HydrophobicContact CG-CE2 4.36Å; Y813-F856 PolarHBondContact OH-N 3.38Å; M850-F856 HydrophobicContact CB-CD1 3.74Å; M850-F856 HydrophobicContact CB-CD2 4.22Å; M850-F856 HydrophobicContact CB-CE1 3.82Å; M850-F856 HydrophobicContact CB-CE2 4.22Å; M850-F856 HydrophobicContact CB-CG 3.97Å; M850-F856 HydrophobicContact CB-CZ 4.04Å; M850-F856 HydrophobicContact CG-CD1 4.41Å; M850-F856 HydrophobicContact CG-CD2 4.02Å; M850-F856 HydrophobicContact CG-CE1 4.33Å; M850-F856 HydrophobicContact CG-CE2 3.86Å; M850-F856 HydrophobicContact CG-CG 4.28Å; M850-F856 HydrophobicContact CG-CZ 4.04Å; M850-F856 WeakPolarHBondContact O-CD1 3.47Å; M850-F856 HydrophobicContact SD-CB 4.43Å; M850-F856 HydrophobicContact SD-CD2 3.32Å; M850-F856 WeakPolarHBondContact SD-CD2 3.47Å; M850-F856 HydrophobicContact SD-CE2 3.61Å; M850-F856 HydrophobicContact SD-CG 3.83Å; M850-F856 HydrophobicContact SD-CZ 4.37Å; L853-F856 HydrophobicContact CB-CB 4.13Å; L853-F856 WeakPolarHBondContact O-CB 3.22Å; L853-F856 PolarHBondContact O-N 2.87Å; P854-F856 PolarHBondContact O-N 2.93Å; F856-D858 VanDerWaalsContact C-N 3.25Å; F856-D858 PolarHBondContact O-N 2.76Å; F856-T859 WeakPolarHBondContact O-CB 3.33Å; F856-T859 PolarHBondContact O-N 3.46Å; F856-T859 VanDerWaalsContact O-N 3.09Å; F856-F860 AromaticContact CD2-CD2 3.74Å; F856-F860 HydrophobicContact CD2-CD2 3.74Å; F856-F860 AromaticContact CD2-CE2 3.89Å; F856-F860 HydrophobicContact CD2-CE2 3.89Å; F856-F860 HydrophobicContact CE1-CD2 4.4Å; F856-F860 AromaticContact CE2-CD2 3.34Å; F856-F860 HydrophobicContact CE2-CD2 3.34Å; F856-F860 AromaticContact CE2-CE2 3.43Å; F856-F860 HydrophobicContact CE2-CE2 3.43Å; F856-F860 VanDerWaalsContact CE2-CE2 3.43Å; F856-F860 HydrophobicContact CE2-CG 4.25Å; F856-F860 HydrophobicContact CE2-CZ 4.39Å; F856-F860 HydrophobicContact CG-CD2 4.46Å; F856-F860 AromaticContact CZ-CD2 3.71Å; F856-F860 HydrophobicContact CZ-CD2 3.71Å; F856-F860 HydrophobicContact CZ-CE2 4.17Å; F856-F860 HydrophobicContact CZ-CG 4.21Å; F856-F860 PolarHBondContact O-N 3.31Å; F856-M868 HydrophobicContact CD1-CB 4.48Å; F856-M868 HydrophobicContact CE1-CB 3.76Å; F856-M868 HydrophobicContact CE1-CG 4.26Å
857	S	96.2	Very high	94.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-40.4	179.4	-66.5	0	0	0	0	111.6	P854 N861 C862 M868 N869 R873	P854-S857 WeakPolarHBondContact O-CB 3.48Å; P854-S857 PolarHBondContact O-N 3.47Å; S857-N861 CarbonylContact O-C 3.59Å; S857-N861 WeakPolarHBondContact O-CA 3.38Å; S857-N861 PolarHBondContact O-N 2.96Å; S857-C862 PolarHBondContact O-N 2.87Å; S857-M868 PolarHBondContact OG-O 2.65Å; S857-N869 VanDerWaalsContact OG-CB 3.28Å; S857-N869 WeakPolarHBondContact OG-CB 3.38Å; S857-N869 VanDerWaalsContact OG-CG 3.28Å; S857-N869 PolarHBondContact OG-OD1 3.38Å; S857-R873 PolarHBondContact OG-NH2 3.16Å
858	D	95.5	Very high	94.9	Very high	112 Å²	112	37.5 Å²	37.5	60%	0.599	23%	0.227	S	C	*	.	H	α-helix	trans	-67.5	-40.7	176.5	-67.3	-17	0	0	0	111.5	P854 F856 F860 N861	P854-D858 PolarHBondContact O-N 3.34Å; F856-D858 VanDerWaalsContact C-N 3.25Å; F856-D858 PolarHBondContact O-N 2.76Å; D858-F860 VanDerWaalsContact C-N 3.33Å; D858-F860 PolarHBondContact O-N 3.31Å; D858-N861 PolarHBondContact O-N 2.74Å
859	T	95.5	Very high	94.9	Very high	17 Å²	17	37.8 Å²	37.8	10%	0.104	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-36.6	179.3	-65.3	0	0	0	0	112.9	K809 Q810 Y813 D855 F856	K809-T859 HydrophobicContact CB-CG2 3.73Å; Q810-T859 HydrophobicContact CB-CG2 4.36Å; Q810-T859 HydrophobicContact CG-CG2 3.62Å; Q810-T859 PolarHBondContact NE2-O 3.35Å; Y813-T859 HydrophobicContact CD2-CG2 4.13Å; Y813-T859 HydrophobicContact CE2-CG2 4.25Å; D855-T859 VanDerWaalsContact O-CB 3.26Å; D855-T859 WeakPolarHBondContact O-CB 3.33Å; D855-T859 PolarHBondContact O-N 3.35Å; D855-T859 PolarHBondContact O-OG1 3.09Å; F856-T859 WeakPolarHBondContact O-CB 3.33Å; F856-T859 PolarHBondContact O-N 3.46Å; F856-T859 VanDerWaalsContact O-N 3.09Å
860	F	96.1	Very high	94.9	Very high	21 Å²	21	39.3 Å²	39.3	9%	0.092	24%	0.238	C	C	.	.	H	α-helix	trans	-99.6	2.4	178.5	-74	-88.5	0	0	0	113.9	P142 F146 Y149 Q810 Y813 F856 D858 C862	P142-F860 HydrophobicContact CB-CD1 3.69Å; P142-F860 HydrophobicContact CB-CE1 4.09Å; P142-F860 HydrophobicContact CB-CG 4.32Å; P142-F860 HydrophobicContact CG-CD1 3.76Å; P142-F860 HydrophobicContact CG-CE1 4.41Å; F146-F860 HydrophobicContact CE2-CD1 4.49Å; F146-F860 HydrophobicContact CE2-CD2 4.46Å; F146-F860 AromaticContact CE2-CE1 3.86Å; F146-F860 HydrophobicContact CE2-CE1 3.86Å; F146-F860 AromaticContact CE2-CE2 3.83Å; F146-F860 HydrophobicContact CE2-CE2 3.83Å; F146-F860 AromaticContact CE2-CZ 3.5Å; F146-F860 HydrophobicContact CE2-CZ 3.5Å; F146-F860 VanDerWaalsContact CE2-CZ 3.5Å; F146-F860 HydrophobicContact CZ-CE2 4.04Å; F146-F860 AromaticContact CZ-CZ 3.83Å; F146-F860 HydrophobicContact CZ-CZ 3.83Å; Y149-F860 HydrophobicContact CE1-CE1 4.41Å; Q810-F860 HydrophobicContact CB-CE1 4.31Å; Q810-F860 HydrophobicContact CB-CZ 3.98Å; Q810-F860 HydrophobicContact CG-CD1 4.49Å; Q810-F860 HydrophobicContact CG-CE1 4.08Å; Q810-F860 HydrophobicContact CG-CE2 4.38Å; Q810-F860 HydrophobicContact CG-CZ 4.01Å; Y813-F860 HydrophobicContact CD2-CE2 4.11Å; Y813-F860 HydrophobicContact CG-CE2 4.36Å; F856-F860 AromaticContact CD2-CD2 3.74Å; F856-F860 HydrophobicContact CD2-CD2 3.74Å; F856-F860 AromaticContact CD2-CE2 3.89Å; F856-F860 HydrophobicContact CD2-CE2 3.89Å; F856-F860 HydrophobicContact CE1-CD2 4.4Å; F856-F860 AromaticContact CE2-CD2 3.34Å; F856-F860 HydrophobicContact CE2-CD2 3.34Å; F856-F860 AromaticContact CE2-CE2 3.43Å; F856-F860 HydrophobicContact CE2-CE2 3.43Å; F856-F860 VanDerWaalsContact CE2-CE2 3.43Å; F856-F860 HydrophobicContact CE2-CG 4.25Å; F856-F860 HydrophobicContact CE2-CZ 4.39Å; F856-F860 HydrophobicContact CG-CD2 4.46Å; F856-F860 AromaticContact CZ-CD2 3.71Å; F856-F860 HydrophobicContact CZ-CD2 3.71Å; F856-F860 HydrophobicContact CZ-CE2 4.17Å; F856-F860 HydrophobicContact CZ-CG 4.21Å; F856-F860 PolarHBondContact O-N 3.31Å; D858-F860 VanDerWaalsContact C-N 3.33Å; D858-F860 PolarHBondContact O-N 3.31Å; F860-C862 VanDerWaalsContact C-N 3.29Å; F860-C862 PolarHBondContact O-N 3.4Å
861	N	96.3	Very high	94.7	Very high	132 Å²	132	48.1 Å²	48.1	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	44	-176	-57.3	-77.4	0	0	0	112.9	S857 D858 P863	S857-N861 CarbonylContact O-C 3.59Å; S857-N861 WeakPolarHBondContact O-CA 3.38Å; S857-N861 PolarHBondContact O-N 2.96Å; D858-N861 PolarHBondContact O-N 2.74Å; N861-P863 WeakPolarHBondContact O-CD 3.29Å
862	C	97.3	Very high	94.6	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.054	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-73.1	124.3	-178.6	-63.9	0	0	0	0	111.4	C143 S857 F860 N869	C143-C862 WeakPolarHBondContact CA-SG 3.36Å; C143-C862 HydrophobicContact CB-CB 3.66Å; C143-C862 WeakPolarHBondContact CB-SG 3.35Å; C143-C862 WeakPolarHBondContact SG-CA 3.11Å; C143-C862 WeakPolarHBondContact SG-CB 2.98Å; C143-C862 CovalentContact SG-SG 2.05Å; C143-C862 PolarHBondContact SG-SG 3.47Å; S857-C862 PolarHBondContact O-N 2.87Å; F860-C862 VanDerWaalsContact C-N 3.29Å; F860-C862 PolarHBondContact O-N 3.4Å; C862-N869 HydrophobicContact CB-CB 3.92Å; C862-N869 PolarHBondContact O-ND2 3.06Å
863	P	97.1	Very high	94.6	Very high	85 Å²	85	56.3 Å²	56.3	55%	0.552	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-61.1	142.5	176.9	-22.8	32.9	0	0	0	112.4	N861 G865 T866	N861-P863 WeakPolarHBondContact O-CD 3.29Å; P863-G865 PolarHBondContact O-N 2.84Å; P863-T866 HydrophobicContact CB-CG2 4.14Å; P863-T866 HydrophobicContact CG-CG2 4.26Å; P863-T866 WeakPolarHBondContact O-CG2 3.37Å; P863-T866 PolarHBondContact O-N 3.26Å; P863-T866 VanDerWaalsContact O-N 3.16Å; P863-T866 PolarHBondContact O-OG1 3.29Å
864	V	95.6	Very high	94.5	Very high	105 Å²	105	56.5 Å²	56.5	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	124.5	175.7	178	0	0	0	0	110	K871	V864-K871 HydrophobicContact CG1-CG 3.88Å
865	G	93.9	Very high	94.1	Very high	49 Å²	49	62.6 Å²	62.6	51%	0.505	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.9	-7.8	-178.3	0	0	0	0	0	114.7	P863 N869	P863-G865 PolarHBondContact O-N 2.84Å; G865-N869 PolarHBondContact N-O 3.06Å
866	T	96	Very high	93.5	Very high	19 Å²	19	60.3 Å²	60.3	12%	0.117	32%	0.315	C	S	.	.	S	Bend	trans	-69.2	159.2	167.1	65	0	0	0	0	110.4	C143 P863 M868 N869	C143-T866 HydrophobicContact CB-CG2 4.49Å; C143-T866 WeakPolarHBondContact O-CB 3.12Å; C143-T866 PolarHBondContact O-OG1 3.05Å; P863-T866 HydrophobicContact CB-CG2 4.14Å; P863-T866 HydrophobicContact CG-CG2 4.26Å; P863-T866 WeakPolarHBondContact O-CG2 3.37Å; P863-T866 PolarHBondContact O-N 3.26Å; P863-T866 VanDerWaalsContact O-N 3.16Å; P863-T866 PolarHBondContact O-OG1 3.29Å; T866-M868 PolarHBondContact O-N 2.98Å; T866-M868 VanDerWaalsContact O-N 3.14Å; T866-N869 CarbonylContact O-C 3.23Å; T866-N869 VanDerWaalsContact O-C 3.23Å; T866-N869 PolarHBondContact O-N 3.27Å; T866-N869 PolarHBondContact OG1-N 3.11Å
867	P	94.5	Very high	92.8	Very high	63 Å²	63	61.9 Å²	61.9	41%	0.409	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.3	178.5	-29.5	36.3	0	0	0	114	E144 N851	E144-P867 WeakPolarHBondContact O-CB 3.48Å; E144-P867 WeakPolarHBondContact OE2-CD 3.36Å; N851-P867 WeakPolarHBondContact CB-O 3.42Å
868	M	95.7	Very high	91.9	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.03	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.9	178.4	-57	-63.4	102.4	0	0	114.7	P142 C143 F146 N847 M850 F856 S857 T866	P142-M868 WeakPolarHBondContact O-CG 3.27Å; C143-M868 WeakPolarHBondContact O-CB 3.46Å; C143-M868 WeakPolarHBondContact O-CG 3.26Å; C143-M868 PolarHBondContact O-N 3.36Å; F146-M868 HydrophobicContact CB-CG 4.35Å; F146-M868 HydrophobicContact CB-SD 3.96Å; N847-M868 HydrophobicContact CB-CE 3.53Å; N847-M868 HydrophobicContact CB-SD 4.06Å; M850-M868 HydrophobicContact CB-SD 3.83Å; F856-M868 HydrophobicContact CD1-CB 4.48Å; F856-M868 HydrophobicContact CE1-CB 3.76Å; F856-M868 HydrophobicContact CE1-CG 4.26Å; S857-M868 PolarHBondContact OG-O 2.65Å; T866-M868 PolarHBondContact O-N 2.98Å; T866-M868 VanDerWaalsContact O-N 3.14Å
869	N	96	Very high	91.7	Very high	15 Å²	15	60 Å²	60	8%	0.08	32%	0.317	C	S	.	.	S	Bend	trans	-139.8	64.4	172.4	-169	9.4	0	0	0	111.1	S857 C862 G865 T866 R873	S857-N869 VanDerWaalsContact OG-CB 3.28Å; S857-N869 WeakPolarHBondContact OG-CB 3.38Å; S857-N869 VanDerWaalsContact OG-CG 3.28Å; S857-N869 PolarHBondContact OG-OD1 3.38Å; C862-N869 HydrophobicContact CB-CB 3.92Å; C862-N869 PolarHBondContact O-ND2 3.06Å; G865-N869 PolarHBondContact N-O 3.06Å; T866-N869 CarbonylContact O-C 3.23Å; T866-N869 VanDerWaalsContact O-C 3.23Å; T866-N869 PolarHBondContact O-N 3.27Å; T866-N869 PolarHBondContact OG1-N 3.11Å; N869-R873 PolarHBondContact OD1-NH2 2.91Å
870	P	93.5	Very high	91.5	Very high	31 Å²	31	62.3 Å²	62.3	20%	0.201	33%	0.328	C	S	.	.			trans	-67.1	152.2	-177.2	29.3	-36.1	0	0	0	111.3	N851 K872 R873	N851-P870 HydrophobicContact CB-CG 3.97Å; N851-P870 WeakPolarHBondContact O-CD 3.44Å; P870-K872 PolarHBondContact O-N 3.1Å; P870-R873 HydrophobicContact CG-CG 4.47Å
871	K	91.6	Very high	91.2	Very high	186 Å²	186	64.6 Å²	64.6	81%	0.809	34%	0.341	S	S	*	.	S	Bend	trans	-65.1	-28	177.9	-67.8	-178.7	-179.4	177.6	0	113.3	V864	V864-K871 HydrophobicContact CG1-CG 3.88Å
872	K	90.3	Very high	90.9	Very high	151 Å²	151	60.6 Å²	60.6	66%	0.657	32%	0.32	S	S	*	.			trans	-118.2	124.8	-179.3	-175.5	-173.7	177.5	-168.4	0	108.5	P870	P870-K872 PolarHBondContact O-N 3.1Å
873	R	90.6	Very high	90.5	Very high	67 Å²	67	63.9 Å²	63.9	25%	0.253	34%	0.336	S	S	.	.			trans	-116.5	150.7	173	-68.6	177.8	166.1	139.6	2.5	109.8	N851 E852 P854 S857 N869 P870	N851-R873 PolarHBondContact O-NE 2.71Å; E852-R873 WeakPolarHBondContact O-CD 3.42Å; P854-R873 VanDerWaalsContact CG-NH1 3.34Å; S857-R873 PolarHBondContact OG-NH2 3.16Å; N869-R873 PolarHBondContact OD1-NH2 2.91Å; P870-R873 HydrophobicContact CG-CG 4.47Å
874	C	90.6	Very high	90.1	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.074	32%	0.322	C	S	.	.			trans	-88.2	160.8	169.5	-55.7	0	0	0	0	110.8	C737 V738 Q741 E852	C737-C874 HydrophobicContact CB-CB 3.76Å; C737-C874 WeakPolarHBondContact CB-SG 3.28Å; C737-C874 PolarHBondContact O-SG 3.31Å; C737-C874 VanDerWaalsContact SG-CA 3.54Å; C737-C874 WeakPolarHBondContact SG-CB 3.34Å; C737-C874 CovalentContact SG-SG 2.04Å; C737-C874 PolarHBondContact SG-SG 3.49Å; V738-C874 HydrophobicContact CG2-CB 3.61Å; V738-C874 PolarHBondContact N-SG 3.08Å; V738-C874 VanDerWaalsContact N-SG 3.42Å; Q741-C874 PolarHBondContact OE1-SG 3.29Å; E852-C874 PolarHBondContact OE1-N 2.88Å; E852-C874 WeakPolarHBondContact OE2-CA 3.38Å; E852-C874 PolarHBondContact OE2-N 2.87Å
875	R	83.1	Confident	89.7	Confident	185 Å²	185	59.4 Å²	59.4	70%	0.698	30%	0.3	S	S	*	.			trans	-126.4	35.7	-178.2	-60.3	-180	178.3	173.6	-1.6	112.4	W573 E734	W573-R875 PolarHBondContact NE1-O 3.2Å; E734-R875 WeakPolarHBondContact OE2-CA 3.47Å; E734-R875 WeakPolarHBondContact OE2-CB 3.39Å; E734-R875 PolarHBondContact OE2-N 2.96Å
876	A	81.8	Confident	89.4	Confident	2 Å²	2	60.2 Å²	60.2	2%	0.017	28%	0.284	C	S	.	.			trans	-82	-20.1	-178.1	0	0	0	0	0	114	E734 V738 I772	E734-A876 HydrophobicContact CB-CB 3.9Å; V738-A876 HydrophobicContact CG2-CB 3.67Å; I772-A876 HydrophobicContact CD1-CB 3.82Å; I772-A876 HydrophobicContact CG1-CB 4.01Å; I772-A876 HydrophobicContact CG2-CB 4.44Å; I772-A876 WeakPolarHBondContact CG2-O 3.4Å
877	A	81.4	Confident	88.8	Confident	33 Å²	33	63.7 Å²	63.7	27%	0.273	30%	0.298	S	S	.	.			trans	-66.4	151.3	173.6	0	0	0	0	0	111.1	A775 S776	A775-A877 HydrophobicContact CB-CB 4.13Å; S776-A877 WeakPolarHBondContact OG-CA 3.26Å
878	L	76.6	Confident	88.3	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.073	29%	0.288	C	S	.	.			trans	-73.5	0	-179.8	-69.5	168.1	0	0	0	113.1	H567 I571 W573 M574 V706 S776	H567-L878 PolarHBondContact CD2-O 3.14Å; I571-L878 HydrophobicContact CD1-CB 4.21Å; I571-L878 HydrophobicContact CD1-CD2 3.64Å; I571-L878 WeakPolarHBondContact CD1-OXT 3.26Å; I571-L878 WeakPolarHBondContact CG1-OXT 3.48Å; W573-L878 HydrophobicContact CH2-CD2 3.88Å; W573-L878 HydrophobicContact CZ2-CD2 3.77Å; M574-L878 HydrophobicContact CE-CD2 4.35Å; V706-L878 HydrophobicContact CG2-CD1 3.46Å; V706-L878 VanDerWaalsContact CG2-CD1 3.46Å; S776-L878 PolarHBondContact OG-N 2.98Å

Retrieved 878 of 878 residues in 3152.5 ms (Link to these results)

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