A0A087YK84_POEFO Loading...

Rho GTPase-activating protein 44

GTPase-activating protein (GAP) that stimulates the GTPase activity of Rho-type GTPases. Thereby, controls Rho-type GTPases cycling between their active GTP-bound and inactive GDP-bound states. Acts as a GAP at least for CDC42 and RAC1. In neurons, is involved in dendritic spine formation and synaptic plasticity in a specific RAC1-GAP activity. Limits the initiation of exploratory dendritic filopodia. Recruited to actin-patches that seed filopodia, binds specifically to plasma membrane sections that are deformed inward by acto-myosin mediated contractile forces. Acts through GAP activity on RAC1 to reduce actin polymerization necessary for filopodia formation. In association with SHANK3, promotes GRIA1 exocytosis from recycling endosomes and spine morphological changes associated to long-term potentiation.

AlphaFold DB , UniProt , Accession A0A087YK84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 751 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.2	Low	61.8	Low	198 Å²	198	116.4 Å²	116.4	98%	0.975	52%	0.524	S	S	*	.				0	25	0	-72	-163	-69.3	0	0	115.8	S615 P616	M1-S615 CarbonylContact C-O 3.51Å; M1-S615 WeakPolarHBondContact CA-O 3.38Å; M1-S615 CarbonylContact O-C 3.56Å; M1-S615 VanDerWaalsContact O-C 3.31Å; M1-S615 PolarHBondContact O-OG 3.29Å; M1-P616 VanDerWaalsContact C-CD 3.47Å; M1-P616 HydrophobicContact CB-CG 4.17Å; M1-P616 HydrophobicContact CG-CG 3.77Å; M1-P616 VanDerWaalsContact O-CD 3.31Å; M1-P616 WeakPolarHBondContact O-CD 3.32Å; M1-P616 HydrophobicContact SD-CG 4.24Å
2	K	57.5	Low	60.8	Low	183 Å²	183	110.4 Å²	110.4	80%	0.796	51%	0.511	S	S	*	.			trans	-122	14.7	160.8	-115.2	175.9	-178.2	176.6	0	113.2	H614 S615	K2-H614 CarbonylContact O-C 3.39Å; K2-S615 CarbonylContact C-O 3.47Å; K2-S615 WeakPolarHBondContact CA-O 3.18Å; K2-S615 PolarHBondContact N-O 3.03Å; K2-S615 PolarHBondContact O-N 3.33Å
3	K	68.1	Low	59.6	Low	149 Å²	149	109.7 Å²	109.7	65%	0.648	51%	0.514	S	S	*	.	B	Isolated β-bridge	trans	-121.8	17.2	174.6	-73.5	-157.6	155.7	-136.6	0	121.2	S612 E613 H614 S615	K3-S612 PolarHBondContact NZ-O 2.86Å; K3-E613 WeakPolarHBondContact CD-O 2.95Å; K3-E613 WeakPolarHBondContact CE-O 2.99Å; K3-E613 WeakPolarHBondContact CG-O 3.48Å; K3-E613 PolarHBondContact NZ-O 2.7Å; K3-H614 CarbonylContact C-O 3.55Å; K3-H614 CarbonylContact O-C 3.52Å; K3-H614 PolarHBondContact O-N 3.27Å; K3-H614 VanDerWaalsContact O-N 3.15Å; K3-S615 CarbonylContact C-O 3.58Å; K3-S615 WeakPolarHBondContact CA-O 3.36Å; K3-S615 PolarHBondContact N-O 3.42Å
4	Q	65.4	Low	58.7	Low	127 Å²	127	110.1 Å²	110.1	59%	0.593	52%	0.516	S	S	*	.	S	Bend	trans	-129.3	-34.2	174.8	-173.1	179.4	25.2	0	0	121.5	R7 M8 H614 S615 P616	Q4-R7 WeakPolarHBondContact O-CB 3.18Å; Q4-M8 PolarHBondContact O-N 2.86Å; Q4-M8 VanDerWaalsContact O-N 3.08Å; Q4-H614 CarbonylContact C-O 3.6Å; Q4-H614 WeakPolarHBondContact CA-O 3.1Å; Q4-H614 PolarHBondContact N-O 2.73Å; Q4-S615 PolarHBondContact N-O 3.37Å; Q4-P616 HydrophobicContact CB-CB 3.81Å; Q4-P616 HydrophobicContact CB-CG 4.34Å; Q4-P616 HydrophobicContact CG-CB 3.96Å
5	F	66.6	Low	57.8	Low	56 Å²	56	110.7 Å²	110.7	25%	0.246	53%	0.53	C	S	.	.	H	α-helix	trans	-71.8	-34.3	167.5	142.8	-31	0	0	0	117.4	R7 M8 R9 H614 S615 P616 H617	F5-R7 PolarHBondContact O-N 3.08Å; F5-M8 HydrophobicContact CB-CE 3.79Å; F5-M8 HydrophobicContact CD2-CE 4.46Å; F5-M8 HydrophobicContact CG-CE 4.1Å; F5-M8 CarbonylContact O-C 3.57Å; F5-M8 PolarHBondContact O-N 3.33Å; F5-M8 VanDerWaalsContact O-N 3.14Å; F5-R9 HydrophobicContact CD1-CB 4.14Å; F5-R9 HydrophobicContact CE1-CB 4.45Å; F5-R9 WeakPolarHBondContact O-CA 3.49Å; F5-R9 WeakPolarHBondContact O-CB 3.24Å; F5-R9 PolarHBondContact O-N 3.22Å; F5-H614 CarbonylContact C-O 3.6Å; F5-H614 PolarHBondContact N-O 3.24Å; F5-S615 VanDerWaalsContact CA-CA 3.42Å; F5-S615 VanDerWaalsContact CB-CA 3.49Å; F5-P616 HydrophobicContact CB-CB 4.4Å; F5-P616 WeakPolarHBondContact CB-O 3.08Å; F5-P616 WeakPolarHBondContact CD2-O 3.23Å; F5-P616 VanDerWaalsContact N-N 3.11Å; F5-H617 HydrophobicContact CD2-CB 4.4Å; F5-H617 AromaticContact CD2-CE1 3.59Å; F5-H617 AromaticContact CD2-CG 3.86Å; F5-H617 AromaticContact CD2-ND1 3.11Å; F5-H617 WeakPolarHBondContact CD2-ND1 3.34Å; F5-H617 AromaticContact CE2-CE1 3.48Å; F5-H617 VanDerWaalsContact CE2-CE1 3.48Å; F5-H617 WeakPolarHBondContact CE2-CE1 3.44Å; F5-H617 AromaticContact CE2-ND1 3.39Å; F5-H617 WeakPolarHBondContact CE2-ND1 3.47Å
6	N	67.8	Low	57	Low	53 Å²	53	110.6 Å²	110.6	28%	0.283	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-23.3	173.2	-71.6	-2.4	0	0	0	106.8	Q10 H614	N6-Q10 WeakPolarHBondContact O-CB 3.48Å; N6-Q10 PolarHBondContact O-N 2.99Å; N6-H614 CarbonylContact C-O 3.6Å; N6-H614 WeakPolarHBondContact CA-O 3.47Å; N6-H614 VanDerWaalsContact CB-C 3.49Å; N6-H614 HydrophobicContact CB-CB 3.27Å; N6-H614 VanDerWaalsContact CB-ND1 3.32Å; N6-H614 WeakPolarHBondContact CB-ND1 2.92Å; N6-H614 PolarHBondContact N-O 2.7Å
7	R	68.6	Low	55.9	Low	123 Å²	123	107.5 Å²	107.5	46%	0.464	54%	0.541	S	S	.	.	H	α-helix	trans	-71	-49.8	171.9	-127.5	-176.4	-170.5	-178.8	6.2	107.7	Q4 F5 Q10 L11 E613 H614	Q4-R7 WeakPolarHBondContact O-CB 3.18Å; F5-R7 PolarHBondContact O-N 3.08Å; R7-Q10 CarbonylContact O-C 3.58Å; R7-Q10 PolarHBondContact O-N 3.42Å; R7-L11 WeakPolarHBondContact O-CB 3.38Å; R7-L11 WeakPolarHBondContact O-CD1 3.4Å; R7-L11 WeakPolarHBondContact O-CG 3.43Å; R7-L11 PolarHBondContact O-N 3.24Å; R7-E613 WeakPolarHBondContact CD-OE2 3.35Å; R7-E613 HydrophobicContact CG-CB 4.43Å; R7-E613 HydrophobicContact CG-CG 4.34Å; R7-E613 WeakPolarHBondContact CG-OE2 3.21Å; R7-E613 IonicContact CZ-OE1 2.74Å; R7-E613 IonicContact CZ-OE2 3.47Å; R7-E613 IonicContact NE-OE1 3.5Å; R7-E613 PolarHBondContact NE-OE1 2.84Å; R7-E613 IonicContact NE-OE2 2.89Å; R7-E613 PolarHBondContact NE-OE2 3.28Å; R7-E613 IonicContact NH2-OE1 3.24Å; R7-E613 PolarHBondContact NH2-OE1 2.8Å; R7-E613 IonicContact NH2-OE2 2.3Å; R7-H614 HydrophobicContact CB-CB 4.17Å; R7-H614 HydrophobicContact CG-CB 4.46Å; R7-H614 VanDerWaalsContact N-CB 3.3Å; R7-H614 PolarHBondContact N-O 3.38Å
8	M	59.7	Low	54.8	Low	69 Å²	69	113.8 Å²	113.8	34%	0.34	56%	0.557	S	S	.	*	H	α-helix	trans	-81.4	-11.9	-179.6	163.4	-114.3	70.4	0	0	114.9	Q4 F5 A12 H617	Q4-M8 PolarHBondContact O-N 2.86Å; Q4-M8 VanDerWaalsContact O-N 3.08Å; F5-M8 HydrophobicContact CB-CE 3.79Å; F5-M8 HydrophobicContact CD2-CE 4.46Å; F5-M8 HydrophobicContact CG-CE 4.1Å; F5-M8 CarbonylContact O-C 3.57Å; F5-M8 PolarHBondContact O-N 3.33Å; F5-M8 VanDerWaalsContact O-N 3.14Å; M8-A12 WeakPolarHBondContact O-CB 3.06Å; M8-A12 PolarHBondContact O-N 2.72Å; M8-H617 HydrophobicContact CE-CB 3.9Å; M8-H617 VanDerWaalsContact CE-CD2 3.42Å; M8-H617 WeakPolarHBondContact CE-CD2 3.28Å; M8-H617 HydrophobicContact SD-CB 3.66Å
9	R	59.2	Low	54.1	Low	151 Å²	151	110.3 Å²	110.3	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-82.4	-37.3	163.2	176.9	-176.2	172	-170.5	-1.8	109	F5 N13	F5-R9 HydrophobicContact CD1-CB 4.14Å; F5-R9 HydrophobicContact CE1-CB 4.45Å; F5-R9 WeakPolarHBondContact O-CA 3.49Å; F5-R9 WeakPolarHBondContact O-CB 3.24Å; F5-R9 PolarHBondContact O-N 3.22Å; R9-N13 WeakPolarHBondContact O-CB 3.38Å; R9-N13 PolarHBondContact O-N 2.9Å; R9-N13 PolarHBondContact O-OD1 3Å
10	Q	59.5	Low	53.3	Low	83 Å²	83	113 Å²	113	39%	0.388	56%	0.56	S	S	.	*	H	α-helix	trans	-74.4	-31.6	172.6	-173.8	163.8	70.2	0	0	111.8	N6 R7 N13 Q14 H614	N6-Q10 WeakPolarHBondContact O-CB 3.48Å; N6-Q10 PolarHBondContact O-N 2.99Å; R7-Q10 CarbonylContact O-C 3.58Å; R7-Q10 PolarHBondContact O-N 3.42Å; Q10-N13 CarbonylContact O-C 3.53Å; Q10-N13 PolarHBondContact O-N 3.22Å; Q10-Q14 VanDerWaalsContact O-CB 3.32Å; Q10-Q14 WeakPolarHBondContact O-CB 3.49Å; Q10-Q14 VanDerWaalsContact O-CG 3.23Å; Q10-Q14 WeakPolarHBondContact O-CG 3.47Å; Q10-Q14 PolarHBondContact O-N 3.23Å; Q10-H614 PolarHBondContact NE2-NE2 2.93Å; Q10-H614 PolarHBondContact OE1-NE2 2.88Å
11	L	53.4	Low	52.9	Low	88 Å²	88	115.6 Å²	115.6	46%	0.461	57%	0.568	S	S	.	*	H	α-helix	trans	-74	-43	169.7	-68.9	158.4	0	0	0	110.1	R7 N13 Q14 T15	R7-L11 WeakPolarHBondContact O-CB 3.38Å; R7-L11 WeakPolarHBondContact O-CD1 3.4Å; R7-L11 WeakPolarHBondContact O-CG 3.43Å; R7-L11 PolarHBondContact O-N 3.24Å; L11-N13 VanDerWaalsContact C-N 3.27Å; L11-N13 PolarHBondContact O-N 3.43Å; L11-Q14 CarbonylContact O-C 3.51Å; L11-Q14 PolarHBondContact O-N 2.71Å; L11-T15 WeakPolarHBondContact O-CB 3.47Å; L11-T15 PolarHBondContact O-N 3.48Å; L11-T15 PolarHBondContact O-OG1 2.85Å
12	A	49	Very low	52.8	Low	45 Å²	45	108.6 Å²	108.6	37%	0.372	54%	0.536	S	S	.	.	H	α-helix	trans	-55.8	-45.3	168.2	0	0	0	0	0	110.8	M8 Q14 T15 V16	M8-A12 WeakPolarHBondContact O-CB 3.06Å; M8-A12 PolarHBondContact O-N 2.72Å; A12-Q14 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 3.32Å; A12-T15 PolarHBondContact O-N 2.99Å; A12-V16 WeakPolarHBondContact O-CA 3.21Å; A12-V16 WeakPolarHBondContact O-CB 3.31Å; A12-V16 VanDerWaalsContact O-CG2 3.31Å; A12-V16 WeakPolarHBondContact O-CG2 3.47Å; A12-V16 PolarHBondContact O-N 3.5Å
13	N	45	Very low	52.8	Low	101 Å²	101	106.7 Å²	106.7	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-68.7	-25.5	175	-71.4	15.4	0	0	0	113.6	R9 Q10 L11 G17	R9-N13 WeakPolarHBondContact O-CB 3.38Å; R9-N13 PolarHBondContact O-N 2.9Å; R9-N13 PolarHBondContact O-OD1 3Å; Q10-N13 CarbonylContact O-C 3.53Å; Q10-N13 PolarHBondContact O-N 3.22Å; L11-N13 VanDerWaalsContact C-N 3.27Å; L11-N13 PolarHBondContact O-N 3.43Å; N13-G17 CarbonylContact O-C 3.45Å; N13-G17 WeakPolarHBondContact O-CA 3.36Å; N13-G17 PolarHBondContact O-N 3.08Å
14	Q	48.1	Very low	53	Low	116 Å²	116	100.8 Å²	100.8	54%	0.542	51%	0.506	S	S	.	.	H	α-helix	trans	-82.7	-29.5	174.3	-81.3	175.2	-9.1	0	0	113	Q10 L11 A12	Q10-Q14 VanDerWaalsContact O-CB 3.32Å; Q10-Q14 WeakPolarHBondContact O-CB 3.49Å; Q10-Q14 VanDerWaalsContact O-CG 3.23Å; Q10-Q14 WeakPolarHBondContact O-CG 3.47Å; Q10-Q14 PolarHBondContact O-N 3.23Å; L11-Q14 CarbonylContact O-C 3.51Å; L11-Q14 PolarHBondContact O-N 2.71Å; A12-Q14 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 3.32Å
15	T	44.3	Very low	53.8	Low	119 Å²	119	95.5 Å²	95.5	73%	0.73	48%	0.482	S	S	*	.	H	α-helix	trans	-88.3	-30.6	179.2	-54	0	0	0	0	112	L11 A12	L11-T15 WeakPolarHBondContact O-CB 3.47Å; L11-T15 PolarHBondContact O-N 3.48Å; L11-T15 PolarHBondContact O-OG1 2.85Å; A12-T15 PolarHBondContact O-N 2.99Å
16	V	45.1	Very low	54.8	Low	108 Å²	108	95.1 Å²	95.1	66%	0.655	49%	0.487	S	S	*	.	H	α-helix	trans	-101.2	-39.5	178.5	-175.9	0	0	0	0	111.7	A12 R18	A12-V16 WeakPolarHBondContact O-CA 3.21Å; A12-V16 WeakPolarHBondContact O-CB 3.31Å; A12-V16 VanDerWaalsContact O-CG2 3.31Å; A12-V16 WeakPolarHBondContact O-CG2 3.47Å; A12-V16 PolarHBondContact O-N 3.5Å; V16-R18 PolarHBondContact O-N 2.97Å; V16-R18 VanDerWaalsContact O-N 3.07Å
17	G	38.9	Very low	55.7	Low	58 Å²	58	99.7 Å²	99.7	60%	0.598	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	36.8	178.6	0	0	0	0	0	114.1	N13	N13-G17 CarbonylContact O-C 3.45Å; N13-G17 WeakPolarHBondContact O-CA 3.36Å; N13-G17 PolarHBondContact O-N 3.08Å
18	R	36.3	Very low	56.7	Low	221 Å²	221	99.4 Å²	99.4	83%	0.834	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	8.5	172.4	-115.1	-171.8	-177.4	-160.7	2.4	114.1	V16	V16-R18 PolarHBondContact O-N 2.97Å; V16-R18 VanDerWaalsContact O-N 3.07Å
19	A	40.8	Very low	58.2	Low	47 Å²	47	96.4 Å²	96.4	39%	0.388	50%	0.499	S	S	.	.	S	Bend	trans	-60.5	142.6	142.7	0	0	0	0	0	107.9
20	E	37.9	Very low	59.7	Low	165 Å²	165	92.2 Å²	92.2	77%	0.771	49%	0.488	S	S	*	.			trans	-58.1	148	162.3	-67.6	171.5	134.4	0	0	108	T22	E20-T22 PolarHBondContact O-N 2.88Å; E20-T22 PolarHBondContact O-OG1 3.17Å
21	K	45.3	Very low	61.2	Low	167 Å²	167	93.8 Å²	93.8	73%	0.726	50%	0.495	S	S	*	.			trans	-73.2	78.1	-179.8	-173.3	-158.1	173	-154.3	0	108.3	E23	K21-E23 HydrophobicContact CD-CG 4.42Å; K21-E23 WeakPolarHBondContact CE-OE1 3.41Å; K21-E23 IonicContact NZ-OE1 2.7Å; K21-E23 PolarHBondContact NZ-OE1 3.16Å; K21-E23 VanDerWaalsContact O-CG 3.25Å; K21-E23 WeakPolarHBondContact O-CG 3.46Å; K21-E23 PolarHBondContact O-N 3.11Å
22	T	52.1	Low	63.1	Low	51 Å²	51	90.5 Å²	90.5	31%	0.313	48%	0.479	S	S	.	.			trans	-57.8	109.1	176.5	-50.9	0	0	0	0	108	E20 V24	E20-T22 PolarHBondContact O-N 2.88Å; E20-T22 PolarHBondContact O-OG1 3.17Å; T22-V24 VanDerWaalsContact C-N 3.34Å; T22-V24 HydrophobicContact CG2-CG2 3.68Å; T22-V24 WeakPolarHBondContact O-CG2 3.3Å; T22-V24 PolarHBondContact O-N 3.46Å
23	E	57.7	Low	65.2	Low	144 Å²	144	91.6 Å²	91.6	67%	0.673	48%	0.476	S	S	*	.			trans	-83.6	84.3	-178.2	-56.9	-159.3	134.1	0	0	108.4	K21 L25	K21-E23 HydrophobicContact CD-CG 4.42Å; K21-E23 WeakPolarHBondContact CE-OE1 3.41Å; K21-E23 IonicContact NZ-OE1 2.7Å; K21-E23 PolarHBondContact NZ-OE1 3.16Å; K21-E23 VanDerWaalsContact O-CG 3.25Å; K21-E23 WeakPolarHBondContact O-CG 3.46Å; K21-E23 PolarHBondContact O-N 3.11Å; E23-L25 VanDerWaalsContact C-N 3.26Å; E23-L25 PolarHBondContact O-N 3.22Å
24	V	71.5	Confident	67.5	Low	24 Å²	24	93 Å²	93	15%	0.145	48%	0.478	C	S	.	.			trans	-76.8	-12.5	-169.7	177	0	0	0	0	112.7	T22 L147 V151 M195 R199	T22-V24 VanDerWaalsContact C-N 3.34Å; T22-V24 HydrophobicContact CG2-CG2 3.68Å; T22-V24 WeakPolarHBondContact O-CG2 3.3Å; T22-V24 PolarHBondContact O-N 3.46Å; V24-L147 HydrophobicContact CG1-CD1 3.94Å; V24-L147 HydrophobicContact CG1-CD2 3.9Å; V24-L147 HydrophobicContact CG1-CG 4.01Å; V24-V151 HydrophobicContact CB-CG2 4.25Å; V24-V151 HydrophobicContact CG1-CG2 3.89Å; V24-V151 HydrophobicContact CG2-CG1 4.06Å; V24-V151 HydrophobicContact CG2-CG2 3.57Å; V24-M195 HydrophobicContact CG1-SD 3.97Å; V24-R199 HydrophobicContact CG1-CG 4.26Å; V24-R199 VanDerWaalsContact O-CD 3.24Å; V24-R199 WeakPolarHBondContact O-CD 3.43Å; V24-R199 VanDerWaalsContact O-CG 3.31Å; V24-R199 WeakPolarHBondContact O-CG 3.42Å
25	L	82.5	Confident	69.7	Low	17 Å²	17	92.4 Å²	92.4	9%	0.089	47%	0.47	C	S	.	.	S	Bend	trans	-130	147.2	175.3	-62.9	175.6	0	0	0	109	E23 L29 L30 L147 R199 L202	E23-L25 VanDerWaalsContact C-N 3.26Å; E23-L25 PolarHBondContact O-N 3.22Å; L25-L29 HydrophobicContact CB-CB 4.19Å; L25-L29 HydrophobicContact CD2-CD1 4.14Å; L25-L30 HydrophobicContact CB-CD2 4.22Å; L25-L30 HydrophobicContact CB-CG 4.37Å; L25-L30 HydrophobicContact CD1-CD2 4.29Å; L25-L147 HydrophobicContact CD2-CD2 4.15Å; L25-R199 HydrophobicContact CD2-CG 4.38Å; L25-L202 HydrophobicContact CD1-CD2 4.46Å; L25-L202 HydrophobicContact CD2-CD2 4.33Å
26	S	87	Confident	72.1	Confident	48 Å²	48	86.9 Å²	86.9	34%	0.336	44%	0.436	S	S	.	.			trans	-68.7	159.7	171.8	59.4	0	0	0	0	111.7	D28 L29 L30	S26-D28 PolarHBondContact O-N 2.94Å; S26-L29 PolarHBondContact O-N 3.46Å; S26-L29 VanDerWaalsContact O-N 3.07Å; S26-L29 WeakPolarHBondContact OG-CG 3.48Å; S26-L29 PolarHBondContact OG-N 3.49Å; S26-L30 WeakPolarHBondContact O-CG 3.44Å; S26-L30 PolarHBondContact O-N 3.42Å
27	E	87.4	Confident	74.4	Confident	148 Å²	148	86.1 Å²	86.1	69%	0.692	43%	0.426	S	S	*	.	H	α-helix	trans	-57.6	-37.5	176.4	-171.3	65.7	-172.5	0	0	111.9	L29 L30 Q31	E27-L29 PolarHBondContact O-N 3.43Å; E27-L30 PolarHBondContact O-N 3.12Å; E27-Q31 PolarHBondContact O-N 3.31Å
28	D	89.1	Confident	77.2	Confident	118 Å²	118	88 Å²	88	63%	0.631	42%	0.421	S	S	*	.	H	α-helix	trans	-59.2	-45.4	174.4	-56.6	-47.8	0	0	0	111.7	S26 Q31 V32	S26-D28 PolarHBondContact O-N 2.94Å; D28-Q31 PolarHBondContact O-N 3.26Å; D28-V32 WeakPolarHBondContact O-CG2 3.45Å; D28-V32 PolarHBondContact O-N 3.18Å
29	L	91.1	Very high	80	Confident	6 Å²	6	79 Å²	79	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-68.7	-34.6	177	-72.2	170.7	0	0	0	111.8	L25 S26 E27 Q31 V32 E33 S203 M206 Y207	L25-L29 HydrophobicContact CB-CB 4.19Å; L25-L29 HydrophobicContact CD2-CD1 4.14Å; S26-L29 PolarHBondContact O-N 3.46Å; S26-L29 VanDerWaalsContact O-N 3.07Å; S26-L29 WeakPolarHBondContact OG-CG 3.48Å; S26-L29 PolarHBondContact OG-N 3.49Å; E27-L29 PolarHBondContact O-N 3.43Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 2.82Å; L29-V32 CarbonylContact O-C 3.11Å; L29-V32 PolarHBondContact O-N 3.35Å; L29-E33 PolarHBondContact O-N 2.86Å; L29-S203 WeakPolarHBondContact CD1-OG 3.43Å; L29-M206 HydrophobicContact CB-CE 4.2Å; L29-M206 HydrophobicContact CD2-CB 3.87Å; L29-M206 HydrophobicContact CD2-CE 4.17Å; L29-M206 HydrophobicContact CD2-SD 4.49Å; L29-M206 WeakPolarHBondContact O-CE 3.47Å; L29-Y207 HydrophobicContact CD2-CD1 4.44Å; L29-Y207 HydrophobicContact CD2-CE1 3.98Å; L29-Y207 HydrophobicContact CD2-CE2 4.14Å
30	L	90.5	Very high	82.7	Confident	63 Å²	63	79 Å²	79	33%	0.33	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-36.5	172.7	-66.2	175.5	0	0	0	112.1	L25 S26 E27 E33 K34	L25-L30 HydrophobicContact CB-CD2 4.22Å; L25-L30 HydrophobicContact CB-CG 4.37Å; L25-L30 HydrophobicContact CD1-CD2 4.29Å; S26-L30 WeakPolarHBondContact O-CG 3.44Å; S26-L30 PolarHBondContact O-N 3.42Å; E27-L30 PolarHBondContact O-N 3.12Å; L30-E33 PolarHBondContact O-N 3.23Å; L30-K34 PolarHBondContact O-N 3.2Å; L30-K34 VanDerWaalsContact O-N 3.07Å
31	Q	92	Very high	85.5	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-33.8	172.3	177	67.4	-6.9	0	0	111.9	E27 D28 L29 R35	E27-Q31 PolarHBondContact O-N 3.31Å; D28-Q31 PolarHBondContact O-N 3.26Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 2.82Å; Q31-R35 PolarHBondContact O-N 3.06Å
32	V	94	Very high	87.9	Confident	19 Å²	19	73.1 Å²	73.1	12%	0.115	36%	0.362	C	S	.	.	H	α-helix	trans	-69.1	-39.4	170.3	176.4	0	0	0	0	112	D28 L29 K34 R35 L36 M206 F209 V210	D28-V32 WeakPolarHBondContact O-CG2 3.45Å; D28-V32 PolarHBondContact O-N 3.18Å; L29-V32 CarbonylContact O-C 3.11Å; L29-V32 PolarHBondContact O-N 3.35Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 2.59Å; V32-R35 PolarHBondContact O-N 3.33Å; V32-L36 HydrophobicContact CG1-CD1 4.18Å; V32-L36 HydrophobicContact CG1-CG 4.45Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 2.67Å; V32-M206 HydrophobicContact CB-CE 3.91Å; V32-M206 HydrophobicContact CG1-CB 4.05Å; V32-M206 HydrophobicContact CG1-CE 3.88Å; V32-M206 HydrophobicContact CG1-CG 4.5Å; V32-F209 HydrophobicContact CG1-CD1 4.35Å; V32-V210 HydrophobicContact CB-CG2 4.43Å; V32-V210 HydrophobicContact CG1-CG2 3.82Å; V32-V210 HydrophobicContact CG2-CG2 3.64Å
33	E	92.3	Very high	90.1	Very high	67 Å²	67	70.9 Å²	70.9	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-42.9	173.6	-178.6	172.1	-166.5	0	0	111.1	L29 L30 R144 M206	L29-E33 PolarHBondContact O-N 2.86Å; L30-E33 PolarHBondContact O-N 3.23Å; E33-R144 VanDerWaalsContact OE1-CG 3.3Å; E33-R144 WeakPolarHBondContact OE1-CG 3.17Å; E33-R144 IonicContact OE1-CZ 3.74Å; E33-R144 IonicContact OE1-NE 2.66Å; E33-R144 PolarHBondContact OE1-NE 2.87Å; E33-R144 IonicContact OE1-NH2 2.69Å; E33-R144 IonicContact OE2-CZ 2.82Å; E33-R144 IonicContact OE2-NE 3.85Å; E33-R144 PolarHBondContact OE2-NE 2.92Å; E33-R144 IonicContact OE2-NH2 3.63Å; E33-R144 PolarHBondContact OE2-NH2 3.41Å; E33-M206 HydrophobicContact CB-CE 4Å
34	K	93.8	Very high	91.9	Very high	132 Å²	132	67.5 Å²	67.5	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-65.5	-38.3	173.4	180	-179.4	169.9	-167.9	0	112.6	L30 V32	L30-K34 PolarHBondContact O-N 3.2Å; L30-K34 VanDerWaalsContact O-N 3.07Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 2.59Å
35	R	93.6	Very high	93.1	Very high	102 Å²	102	68.8 Å²	68.8	39%	0.385	34%	0.343	S	S	.	.	H	α-helix	trans	-67.9	-39.1	178.3	-170.6	172.7	-171.3	173.5	1.8	112.5	Q31 V32 E37 L38 V39 E213	Q31-R35 PolarHBondContact O-N 3.06Å; V32-R35 PolarHBondContact O-N 3.33Å; R35-E37 PolarHBondContact O-N 3.48Å; R35-L38 PolarHBondContact O-N 2.73Å; R35-V39 HydrophobicContact CG-CG2 4.14Å; R35-V39 WeakPolarHBondContact O-CG2 3.42Å; R35-V39 PolarHBondContact O-N 3.28Å; R35-E213 VanDerWaalsContact CZ-CD 3.48Å; R35-E213 IonicContact CZ-OE1 2.71Å; R35-E213 IonicContact CZ-OE2 3.7Å; R35-E213 VanDerWaalsContact CZ-OE2 3.28Å; R35-E213 IonicContact NH1-OE1 3.73Å; R35-E213 PolarHBondContact NH1-OE1 2.94Å; R35-E213 IonicContact NH1-OE2 3.13Å; R35-E213 PolarHBondContact NH1-OE2 3.24Å; R35-E213 IonicContact NH2-OE1 3.79Å; R35-E213 PolarHBondContact NH2-OE1 2.68Å; R35-E213 IonicContact NH2-OE2 2.76Å; R35-E213 PolarHBondContact NH2-OE2 3.32Å
36	L	95.4	Very high	93.7	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-54.5	-48.1	178.5	-82	159.6	0	0	0	112.3	V32 L38 V39 K40 I137 I140 M206 F209	V32-L36 HydrophobicContact CG1-CD1 4.18Å; V32-L36 HydrophobicContact CG1-CG 4.45Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 2.67Å; L36-L38 PolarHBondContact O-N 3.41Å; L36-V39 PolarHBondContact O-N 2.91Å; L36-K40 VanDerWaalsContact O-CB 3.26Å; L36-K40 WeakPolarHBondContact O-CB 3.42Å; L36-K40 PolarHBondContact O-N 3.13Å; L36-I137 HydrophobicContact CB-CG2 4.08Å; L36-I137 HydrophobicContact CD2-CB 4.36Å; L36-I137 HydrophobicContact CD2-CG1 3.87Å; L36-I137 HydrophobicContact CD2-CG2 3.91Å; L36-I140 HydrophobicContact CD1-CG2 3.88Å; L36-I140 HydrophobicContact CD2-CD1 3.98Å; L36-M206 HydrophobicContact CD1-CE 4.3Å; L36-M206 HydrophobicContact CD1-CG 4.14Å; L36-F209 HydrophobicContact CD2-CB 4.4Å; L36-F209 HydrophobicContact CD2-CD1 3.56Å; L36-F209 HydrophobicContact CD2-CD2 3.54Å; L36-F209 HydrophobicContact CD2-CE1 3.6Å; L36-F209 HydrophobicContact CD2-CE2 3.59Å; L36-F209 HydrophobicContact CD2-CG 3.54Å; L36-F209 HydrophobicContact CD2-CZ 3.62Å; L36-F209 HydrophobicContact CG-CD1 3.97Å; L36-F209 HydrophobicContact CG-CE1 3.87Å; L36-F209 HydrophobicContact CG-CG 4.41Å; L36-F209 HydrophobicContact CG-CZ 4.24Å
37	E	94	Very high	94	Very high	92 Å²	92	67.9 Å²	67.9	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-68.6	-33.8	179.7	-171	66.7	-174.2	0	0	112.4	R35 K40 Q41 Q141	R35-E37 PolarHBondContact O-N 3.48Å; E37-K40 IonicContact OE1-NZ 3.11Å; E37-K40 VanDerWaalsContact OE2-CD 3.29Å; E37-K40 WeakPolarHBondContact OE2-CD 3.38Å; E37-K40 IonicContact OE2-NZ 2.8Å; E37-K40 PolarHBondContact OE2-NZ 3.05Å; E37-Q41 WeakPolarHBondContact O-CB 3.31Å; E37-Q41 PolarHBondContact O-N 3.28Å; E37-Q141 PolarHBondContact OE2-NE2 2.82Å
38	L	96.3	Very high	94.3	Very high	97 Å²	97	65.8 Å²	65.8	51%	0.508	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-47.3	174.8	-68.6	173.1	0	0	0	112	R35 L36 Q41 V42	R35-L38 PolarHBondContact O-N 2.73Å; L36-L38 PolarHBondContact O-N 3.41Å; L38-Q41 PolarHBondContact O-N 3.01Å; L38-V42 WeakPolarHBondContact O-CG2 3.07Å; L38-V42 PolarHBondContact O-N 3.03Å
39	V	96.6	Very high	94.6	Very high	32 Å²	32	67 Å²	67	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-46.6	177.5	172.2	0	0	0	0	110.2	R35 L36 Q41 V42 S43 L132 I137 F209	R35-V39 HydrophobicContact CG-CG2 4.14Å; R35-V39 WeakPolarHBondContact O-CG2 3.42Å; R35-V39 PolarHBondContact O-N 3.28Å; L36-V39 PolarHBondContact O-N 2.91Å; V39-Q41 PolarHBondContact O-N 3.22Å; V39-V42 PolarHBondContact O-N 3.24Å; V39-S43 WeakPolarHBondContact O-CB 3.2Å; V39-S43 PolarHBondContact O-N 2.86Å; V39-S43 PolarHBondContact O-OG 2.96Å; V39-S43 VanDerWaalsContact O-OG 3.14Å; V39-L132 HydrophobicContact CG1-CD2 4.17Å; V39-I137 HydrophobicContact CB-CD1 4.31Å; V39-I137 HydrophobicContact CG1-CD1 4.03Å; V39-F209 HydrophobicContact CB-CZ 4.07Å; V39-F209 HydrophobicContact CG1-CE2 4.41Å; V39-F209 HydrophobicContact CG1-CZ 4.07Å; V39-F209 HydrophobicContact CG2-CZ 4.11Å
40	K	96.8	Very high	94.7	Very high	46 Å²	46	67.7 Å²	67.7	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-56	-46.8	174.7	-179.1	-168.1	173.6	-165.3	0	112.7	L36 E37 V42 H44 I137	L36-K40 VanDerWaalsContact O-CB 3.26Å; L36-K40 WeakPolarHBondContact O-CB 3.42Å; L36-K40 PolarHBondContact O-N 3.13Å; E37-K40 IonicContact OE1-NZ 3.11Å; E37-K40 VanDerWaalsContact OE2-CD 3.29Å; E37-K40 WeakPolarHBondContact OE2-CD 3.38Å; E37-K40 IonicContact OE2-NZ 2.8Å; E37-K40 PolarHBondContact OE2-NZ 3.05Å; K40-V42 VanDerWaalsContact C-N 3.35Å; K40-V42 PolarHBondContact O-N 2.86Å; K40-H44 WeakPolarHBondContact O-CB 3.21Å; K40-H44 PolarHBondContact O-N 3.39Å; K40-I137 HydrophobicContact CB-CB 4.36Å; K40-I137 HydrophobicContact CB-CD1 3.74Å; K40-I137 HydrophobicContact CB-CG2 4.01Å; K40-I137 HydrophobicContact CD-CG2 3.94Å; K40-I137 HydrophobicContact CG-CG2 4.32Å
41	Q	96.7	Very high	94.7	Very high	132 Å²	132	66.2 Å²	66.2	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-42.3	178	-175.6	-178.7	0.3	0	0	111.7	E37 L38 V39 S45	E37-Q41 WeakPolarHBondContact O-CB 3.31Å; E37-Q41 PolarHBondContact O-N 3.28Å; L38-Q41 PolarHBondContact O-N 3.01Å; V39-Q41 PolarHBondContact O-N 3.22Å; Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 3.02Å
42	V	96.5	Very high	94.6	Very high	78 Å²	78	64.8 Å²	64.8	47%	0.473	33%	0.329	S	S	.	.	H	α-helix	trans	-66.5	-55	177.6	171.9	0	0	0	0	110.6	L38 V39 K40 H44 S45 T46	L38-V42 WeakPolarHBondContact O-CG2 3.07Å; L38-V42 PolarHBondContact O-N 3.03Å; V39-V42 PolarHBondContact O-N 3.24Å; K40-V42 VanDerWaalsContact C-N 3.35Å; K40-V42 PolarHBondContact O-N 2.86Å; V42-H44 VanDerWaalsContact C-N 3.3Å; V42-H44 PolarHBondContact O-N 3.3Å; V42-S45 CarbonylContact O-C 2.77Å; V42-S45 PolarHBondContact O-N 3.43Å; V42-S45 VanDerWaalsContact O-N 3.09Å; V42-T46 WeakPolarHBondContact O-CB 3.45Å; V42-T46 PolarHBondContact O-N 2.84Å; V42-T46 PolarHBondContact O-OG1 3.18Å; V42-T46 VanDerWaalsContact O-OG1 3.06Å
43	S	96.4	Very high	94.4	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-40.1	-179.1	-58.8	0	0	0	0	112.4	V39 T46 H47	V39-S43 WeakPolarHBondContact O-CB 3.2Å; V39-S43 PolarHBondContact O-N 2.86Å; V39-S43 PolarHBondContact O-OG 2.96Å; V39-S43 VanDerWaalsContact O-OG 3.14Å; S43-T46 PolarHBondContact O-N 3.44Å; S43-H47 PolarHBondContact O-N 2.93Å; S43-H47 PolarHBondContact O-ND1 3.06Å; S43-H47 VanDerWaalsContact O-ND1 3.15Å
44	H	95.6	Very high	94.2	Very high	73 Å²	73	66.5 Å²	66.5	34%	0.338	35%	0.346	S	S	.	.	H	α-helix	trans	-67.3	-39.2	175.4	-165.8	93.5	0	0	0	113	K40 V42 H47 K48 A133 E134	K40-H44 WeakPolarHBondContact O-CB 3.21Å; K40-H44 PolarHBondContact O-N 3.39Å; V42-H44 VanDerWaalsContact C-N 3.3Å; V42-H44 PolarHBondContact O-N 3.3Å; H44-H47 AromaticContact CE1-CE1 3.55Å; H44-H47 AromaticContact ND1-CE1 3.89Å; H44-K48 PolarHBondContact NE2-NZ 3.12Å; H44-K48 WeakPolarHBondContact O-CG 3.21Å; H44-A133 HydrophobicContact CB-CB 4.05Å; H44-E134 WeakPolarHBondContact CE1-CG 3.36Å; H44-E134 IonicContact CE1-OE1 3.17Å; H44-E134 PolarHBondContact CE1-OE1 2.82Å; H44-E134 IonicContact ND1-OE1 2.74Å; H44-E134 PolarHBondContact ND1-OE1 3.38Å; H44-E134 VanDerWaalsContact NE2-CD 3.34Å; H44-E134 IonicContact NE2-OE1 2.98Å; H44-E134 PolarHBondContact NE2-OE1 2.82Å
45	S	96.6	Very high	93.4	Very high	52 Å²	52	65.4 Å²	65.4	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-70.2	-36	173.9	176	0	0	0	0	112.1	Q41 V42 K49	Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 3.02Å; V42-S45 CarbonylContact O-C 2.77Å; V42-S45 PolarHBondContact O-N 3.43Å; V42-S45 VanDerWaalsContact O-N 3.09Å; S45-K49 WeakPolarHBondContact O-CB 3.35Å; S45-K49 VanDerWaalsContact O-CG 3.27Å; S45-K49 WeakPolarHBondContact O-CG 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å
46	T	95.8	Very high	92.1	Very high	36 Å²	36	60.9 Å²	60.9	22%	0.221	33%	0.328	C	S	.	.	H	α-helix	trans	-72.2	-53.5	-177.5	-64.6	0	0	0	0	110.7	V42 S43 K48 K49 L50 L129 F220	V42-T46 WeakPolarHBondContact O-CB 3.45Å; V42-T46 PolarHBondContact O-N 2.84Å; V42-T46 PolarHBondContact O-OG1 3.18Å; V42-T46 VanDerWaalsContact O-OG1 3.06Å; S43-T46 PolarHBondContact O-N 3.44Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 2.85Å; T46-K49 PolarHBondContact O-N 2.95Å; T46-L50 VanDerWaalsContact O-CB 3.32Å; T46-L50 WeakPolarHBondContact O-CB 3.38Å; T46-L50 PolarHBondContact O-N 2.9Å; T46-L129 HydrophobicContact CG2-CD1 3.91Å; T46-F220 HydrophobicContact CG2-CE1 4.03Å
47	H	93.9	Very high	90.2	Very high	9 Å²	9	68.7 Å²	68.7	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-44.2	-176.5	79.4	-121	0	0	0	110.9	S43 H44 K49 L50 T51 I126 L129	S43-H47 PolarHBondContact O-N 2.93Å; S43-H47 PolarHBondContact O-ND1 3.06Å; S43-H47 VanDerWaalsContact O-ND1 3.15Å; H44-H47 AromaticContact CE1-CE1 3.55Å; H44-H47 AromaticContact ND1-CE1 3.89Å; H47-K49 PolarHBondContact O-N 3.22Å; H47-L50 PolarHBondContact O-N 3.17Å; H47-L50 VanDerWaalsContact O-N 3.16Å; H47-T51 PolarHBondContact O-N 3.17Å; H47-T51 PolarHBondContact O-OG1 2.59Å; H47-I126 HydrophobicContact CB-CG2 4.23Å; H47-L129 HydrophobicContact CB-CB 3.9Å; H47-L129 PolarHBondContact ND1-O 3.47Å
48	K	93.8	Very high	88.1	Confident	104 Å²	104	70 Å²	70	45%	0.452	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-35.2	179.9	-66	-169.7	175.3	175.7	0	113.9	H44 T46 A52 E134	H44-K48 PolarHBondContact NE2-NZ 3.12Å; H44-K48 WeakPolarHBondContact O-CG 3.21Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 2.85Å; K48-A52 WeakPolarHBondContact O-CB 3.3Å; K48-A52 PolarHBondContact O-N 3.3Å; K48-E134 IonicContact NZ-OE1 3.03Å
49	K	95.1	Very high	85.6	Confident	144 Å²	144	68 Å²	68	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-73.1	-38.7	173.9	-73.6	178.8	-179.2	-178	0	111.8	S45 T46 H47 A52 C53	S45-K49 WeakPolarHBondContact O-CB 3.35Å; S45-K49 VanDerWaalsContact O-CG 3.27Å; S45-K49 WeakPolarHBondContact O-CG 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å; T46-K49 PolarHBondContact O-N 2.95Å; H47-K49 PolarHBondContact O-N 3.22Å; K49-A52 PolarHBondContact O-N 2.8Å; K49-C53 PolarHBondContact O-N 3.29Å; K49-C53 PolarHBondContact O-SG 3.09Å; K49-C53 VanDerWaalsContact O-SG 3.32Å
50	L	92.9	Very high	82.8	Confident	21 Å²	21	73.5 Å²	73.5	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-67.6	-41.9	179.3	-172.4	57	0	0	0	111.5	T46 H47 A52 C53 I121 V125 I126 L223	T46-L50 VanDerWaalsContact O-CB 3.32Å; T46-L50 WeakPolarHBondContact O-CB 3.38Å; T46-L50 PolarHBondContact O-N 2.9Å; H47-L50 PolarHBondContact O-N 3.17Å; H47-L50 VanDerWaalsContact O-N 3.16Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.8Å; L50-C53 WeakPolarHBondContact O-CB 3.28Å; L50-C53 PolarHBondContact O-N 2.94Å; L50-C53 VanDerWaalsContact O-N 3.08Å; L50-I121 HydrophobicContact CD1-CG2 4.06Å; L50-I121 HydrophobicContact CD2-CG2 3.82Å; L50-I121 HydrophobicContact CG-CG2 3.85Å; L50-V125 HydrophobicContact CD2-CB 4.4Å; L50-V125 HydrophobicContact CD2-CG1 3.72Å; L50-I126 HydrophobicContact CB-CD1 4.35Å; L50-I126 HydrophobicContact CB-CG1 4.28Å; L50-I126 HydrophobicContact CD2-CD1 4.43Å; L50-I126 HydrophobicContact CD2-CG1 3.82Å; L50-I126 HydrophobicContact CG-CD1 4.01Å; L50-I126 HydrophobicContact CG-CG1 3.93Å; L50-L223 HydrophobicContact CD1-CD1 3.86Å; L50-L223 HydrophobicContact CD2-CD1 3.96Å; L50-L223 HydrophobicContact CD2-CD2 4.27Å
51	T	91.1	Very high	79.9	Confident	31 Å²	31	78.5 Å²	78.5	19%	0.19	44%	0.435	C	S	.	.	H	α-helix	trans	-55.9	-44.2	169.8	-50	0	0	0	0	111.4	H47 C53 L54 I126	H47-T51 PolarHBondContact O-N 3.17Å; H47-T51 PolarHBondContact O-OG1 2.59Å; T51-C53 PolarHBondContact O-N 3.26Å; T51-L54 PolarHBondContact O-N 2.7Å; T51-L54 VanDerWaalsContact O-N 3.13Å; T51-I126 WeakPolarHBondContact OG1-CG2 3.49Å
52	A	89.9	Confident	77.2	Confident	86 Å²	86	78.7 Å²	78.7	71%	0.711	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.3	179.2	0	0	0	0	0	114.5	K48 K49 L50	K48-A52 WeakPolarHBondContact O-CB 3.3Å; K48-A52 PolarHBondContact O-N 3.3Å; K49-A52 PolarHBondContact O-N 2.8Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.8Å
53	C	89.6	Confident	74.3	Confident	96 Å²	96	80.6 Å²	80.6	65%	0.649	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.3	171.5	-68	0	0	0	0	113.4	K49 L50 T51	K49-C53 PolarHBondContact O-N 3.29Å; K49-C53 PolarHBondContact O-SG 3.09Å; K49-C53 VanDerWaalsContact O-SG 3.32Å; L50-C53 WeakPolarHBondContact O-CB 3.28Å; L50-C53 PolarHBondContact O-N 2.94Å; L50-C53 VanDerWaalsContact O-N 3.08Å; T51-C53 PolarHBondContact O-N 3.26Å
54	L	88	Confident	71.6	Confident	27 Å²	27	88.1 Å²	88.1	14%	0.141	49%	0.485	C	S	.	.			trans	-82.8	139.9	177.6	-48.4	-172	0	0	0	110	T51 E118 I121 E122 I126	T51-L54 PolarHBondContact O-N 2.7Å; T51-L54 VanDerWaalsContact O-N 3.13Å; L54-E118 HydrophobicContact CB-CG 4.26Å; L54-E118 HydrophobicContact CD1-CB 4.46Å; L54-E118 HydrophobicContact CD2-CG 4.14Å; L54-I121 HydrophobicContact CD2-CG2 4.27Å; L54-E122 HydrophobicContact CD1-CB 4.31Å; L54-I126 HydrophobicContact CD1-CD1 3.79Å; L54-I126 HydrophobicContact CG-CD1 4.45Å
55	Q	77.1	Confident	69.1	Low	109 Å²	109	94.9 Å²	94.9	51%	0.509	51%	0.513	S	S	.	.			trans	-94.3	-21.6	-174.5	-56.6	-179.4	31.2	0	0	112.9	Q57 L74 E118	Q55-Q57 PolarHBondContact O-N 3.21Å; Q55-Q57 VanDerWaalsContact O-N 3.09Å; Q55-L74 HydrophobicContact CB-CD2 4.05Å; Q55-E118 WeakPolarHBondContact CA-OE1 3.42Å; Q55-E118 WeakPolarHBondContact CB-OE1 3.46Å; Q55-E118 PolarHBondContact N-OE1 2.92Å
56	G	66.4	Low	66	Low	6 Å²	6	97.2 Å²	97.2	6%	0.062	53%	0.53	C	S	.	.	S	Bend	trans	-60.3	110	172.9	0	0	0	0	0	111.4	Q58 E118	G56-Q58 PolarHBondContact O-N 3.2Å; G56-E118 VanDerWaalsContact CA-OE2 3.32Å; G56-E118 WeakPolarHBondContact CA-OE2 3.29Å; G56-E118 PolarHBondContact N-OE1 2.74Å; G56-E118 PolarHBondContact N-OE2 2.9Å
57	Q	54.7	Low	63.4	Low	169 Å²	169	102 Å²	102	79%	0.79	56%	0.558	S	S	*	*			trans	-53	112.4	-176.3	-67.7	-171.3	-47.6	0	0	111.9	Q55 G59	Q55-Q57 PolarHBondContact O-N 3.21Å; Q55-Q57 VanDerWaalsContact O-N 3.09Å; Q57-G59 VanDerWaalsContact C-N 3.32Å; Q57-G59 PolarHBondContact O-N 3.46Å
58	Q	49.3	Very low	60.8	Low	119 Å²	119	112.6 Å²	112.6	56%	0.556	60%	0.598	S	S	*	*			trans	-67.7	96.9	158	-73	-171.2	-15.7	0	0	107.6	G56 E122	G56-Q58 PolarHBondContact O-N 3.2Å; Q58-E122 PolarHBondContact NE2-OE1 3.2Å
59	G	44.4	Very low	58.1	Low	54 Å²	54	112.4 Å²	112.4	56%	0.557	61%	0.61	S	S	*	*			trans	-57	136.9	170.9	0	0	0	0	0	109.9	Q57 D61	Q57-G59 VanDerWaalsContact C-N 3.32Å; Q57-G59 PolarHBondContact O-N 3.46Å; G59-D61 PolarHBondContact O-N 3.09Å
60	V	37.7	Very low	55.5	Low	149 Å²	149	111.6 Å²	111.6	90%	0.903	62%	0.619	S	S	*	*	S	Bend	trans	-79.1	68.8	-172	-170.5	0	0	0	0	111.2
61	D	37.2	Very low	53.4	Low	150 Å²	150	115 Å²	115	80%	0.802	64%	0.644	S	S	*	*			trans	-169.5	119.9	144.1	-115.2	-37.8	0	0	0	109.7	G59	G59-D61 PolarHBondContact O-N 3.09Å
62	V	39.7	Very low	51.7	Low	137 Å²	137	115.5 Å²	115.5	83%	0.83	64%	0.644	S	S	*	*			trans	-126.2	75.6	173	-174	0	0	0	0	108.5
63	D	34.2	Very low	50.5	Low	117 Å²	117	118.9 Å²	118.9	63%	0.626	64%	0.643	S	S	*	*			trans	-118.1	101.6	166.6	-155.8	2.4	0	0	0	111.3
64	K	40	Very low	50.2	Low	162 Å²	162	114.3 Å²	114.3	70%	0.704	61%	0.612	S	S	*	*	S	Bend	trans	66.2	115.4	169.8	-61.6	163.1	-166	77.6	0	118.5
65	K	43.4	Very low	50.2	Low	215 Å²	215	117.1 Å²	117.1	94%	0.935	63%	0.632	S	S	*	*			trans	41.7	83.8	143.6	-72.7	-174	170.5	-177.9	0	117
66	S	30.8	Very low	50.8	Low	101 Å²	101	113.8 Å²	113.8	71%	0.706	62%	0.617	S	S	*	*			trans	-132.6	115.6	145.9	-167.2	0	0	0	0	110.9
67	V	42.1	Very low	51.9	Low	136 Å²	136	114.9 Å²	114.9	82%	0.824	62%	0.623	S	S	*	*	S	Bend	trans	-68	133.4	165.3	172.9	0	0	0	0	107.4
68	R	38.7	Very low	53.7	Low	231 Å²	231	110.8 Å²	110.8	87%	0.872	61%	0.61	S	S	*	*			trans	72.1	70.4	-169.1	-51.6	165.3	-179.9	171.4	-1.8	114.2
69	S	38.7	Very low	55.8	Low	100 Å²	100	109.1 Å²	109.1	70%	0.699	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-67.2	148.2	147.5	42	0	0	0	0	109.8
70	P	40.2	Very low	58.3	Low	127 Å²	127	106.6 Å²	106.6	83%	0.825	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-59.6	153	173.3	-23	34.6	0	0	0	111.7	K72	P70-K72 PolarHBondContact O-N 2.83Å
71	S	47.5	Very low	61	Low	92 Å²	92	104.3 Å²	104.3	64%	0.643	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-53	136.7	-171.6	40.8	0	0	0	0	113.6	K73	S71-K73 VanDerWaalsContact C-N 3.28Å; S71-K73 PolarHBondContact O-N 2.68Å
72	K	55.8	Low	63.9	Low	43 Å²	43	101 Å²	101	19%	0.187	55%	0.545	C	S	.	.			trans	-54.8	90.2	164.3	-74.6	174	168.1	-172	0	108.4	P70 L74 E118 E122	P70-K72 PolarHBondContact O-N 2.83Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 3.12Å; K72-E118 IonicContact NZ-OE2 3.79Å; K72-E122 IonicContact NZ-OE2 2.58Å; K72-E122 PolarHBondContact NZ-OE2 2.87Å
73	K	65.6	Low	66.6	Low	156 Å²	156	96.2 Å²	96.2	68%	0.678	51%	0.514	S	S	*	.			trans	-72	89.4	177.8	-79.6	-160.6	172.3	-164.6	0	109.3	S71	S71-K73 VanDerWaalsContact C-N 3.28Å; S71-K73 PolarHBondContact O-N 2.68Å
74	L	81.8	Confident	69.6	Low	0 Å²	0	93.3 Å²	93.3	0%	0	50%	0.5	C	S	.	.			trans	-60.9	148.6	175.2	-62.9	-177.9	0	0	0	110.2	Q55 K72 L76 T77 T78 L114 I115	Q55-L74 HydrophobicContact CB-CD2 4.05Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 3.12Å; L74-L76 PolarHBondContact O-N 2.96Å; L74-L76 VanDerWaalsContact O-N 3.14Å; L74-T77 PolarHBondContact O-N 3.23Å; L74-T78 PolarHBondContact O-N 3.41Å; L74-T78 PolarHBondContact O-OG1 2.67Å; L74-L114 HydrophobicContact CD1-CB 3.95Å; L74-L114 HydrophobicContact CD1-CD2 3.78Å; L74-L114 HydrophobicContact CD1-CG 3.63Å; L74-I115 HydrophobicContact CD1-CD1 4.42Å; L74-I115 HydrophobicContact CD1-CG1 3.62Å; L74-I115 HydrophobicContact CG-CG1 4.06Å
75	P	88.5	Confident	72.3	Confident	86 Å²	86	90.9 Å²	90.9	56%	0.558	49%	0.491	S	S	*	.	H	α-helix	trans	-54	-31.7	170.4	-26	35.2	0	0	0	112.3	T78 L79	P75-T78 WeakPolarHBondContact O-CB 3.47Å; P75-T78 PolarHBondContact O-N 3.36Å; P75-L79 PolarHBondContact O-N 2.85Å
76	L	89.7	Confident	74.8	Confident	39 Å²	39	81.8 Å²	81.8	20%	0.204	46%	0.459	C	S	.	.	H	α-helix	trans	-67.2	-42.1	-179.8	-162	65.9	0	0	0	113.2	L74 T78 L79 A80 L110 A111	L74-L76 PolarHBondContact O-N 2.96Å; L74-L76 VanDerWaalsContact O-N 3.14Å; L76-T78 PolarHBondContact O-N 3.44Å; L76-L79 HydrophobicContact CD1-CD2 4.39Å; L76-L79 WeakPolarHBondContact O-CB 3.22Å; L76-L79 PolarHBondContact O-N 2.82Å; L76-A80 WeakPolarHBondContact O-CB 3.35Å; L76-A80 PolarHBondContact O-N 2.92Å; L76-L110 HydrophobicContact CD2-CB 4.02Å; L76-A111 HydrophobicContact CB-CB 4.04Å; L76-A111 HydrophobicContact CD2-CB 4.09Å; L76-A111 HydrophobicContact CG-CB 4.12Å
77	T	90.1	Very high	77.9	Confident	29 Å²	29	77.2 Å²	77.2	18%	0.178	43%	0.428	C	S	.	.	H	α-helix	trans	-59	-36.4	170.6	-51.9	0	0	0	0	111.5	L74 A80 Q81 A111	L74-T77 PolarHBondContact O-N 3.23Å; T77-A80 PolarHBondContact O-N 2.82Å; T77-Q81 WeakPolarHBondContact O-CB 3.35Å; T77-Q81 PolarHBondContact O-N 2.91Å; T77-A111 WeakPolarHBondContact OG1-CB 3.36Å
78	T	91.6	Very high	80.5	Confident	84 Å²	84	74.8 Å²	74.8	52%	0.515	42%	0.421	S	S	.	.	H	α-helix	trans	-71.2	-36.9	179.2	-50.9	0	0	0	0	111.5	L74 P75 L76 C82	L74-T78 PolarHBondContact O-N 3.41Å; L74-T78 PolarHBondContact O-OG1 2.67Å; P75-T78 WeakPolarHBondContact O-CB 3.47Å; P75-T78 PolarHBondContact O-N 3.36Å; L76-T78 PolarHBondContact O-N 3.44Å; T78-C82 WeakPolarHBondContact O-CB 3.47Å; T78-C82 PolarHBondContact O-N 3.13Å
79	L	94.7	Very high	83.2	Confident	84 Å²	84	69.9 Å²	69.9	44%	0.44	42%	0.417	S	S	.	.	H	α-helix	trans	-65.5	-47.5	171	175.5	61.5	0	0	0	111.3	P75 L76 Q81 C82 M83	P75-L79 PolarHBondContact O-N 2.85Å; L76-L79 HydrophobicContact CD1-CD2 4.39Å; L76-L79 WeakPolarHBondContact O-CB 3.22Å; L76-L79 PolarHBondContact O-N 2.82Å; L79-Q81 PolarHBondContact O-N 2.82Å; L79-C82 WeakPolarHBondContact O-CB 2.99Å; L79-C82 PolarHBondContact O-N 3.11Å; L79-M83 HydrophobicContact CD1-CG 4.13Å; L79-M83 HydrophobicContact CD1-SD 4.06Å; L79-M83 HydrophobicContact CG-CG 4.5Å; L79-M83 HydrophobicContact CG-SD 4.05Å; L79-M83 WeakPolarHBondContact O-CG 3.26Å; L79-M83 PolarHBondContact O-N 3.04Å
80	A	96.1	Very high	85.7	Confident	1 Å²	1	69 Å²	69	1%	0.008	40%	0.404	C	S	.	.	H	α-helix	trans	-55.9	-51.2	179.6	0	0	0	0	0	112	L76 T77 C82 M83 V84 Q107 E108	L76-A80 WeakPolarHBondContact O-CB 3.35Å; L76-A80 PolarHBondContact O-N 2.92Å; T77-A80 PolarHBondContact O-N 2.82Å; A80-C82 PolarHBondContact O-N 3.11Å; A80-M83 PolarHBondContact O-N 3.1Å; A80-M83 VanDerWaalsContact O-N 3.16Å; A80-V84 WeakPolarHBondContact O-CG2 3.38Å; A80-V84 PolarHBondContact O-N 2.95Å; A80-Q107 HydrophobicContact CB-CB 3.73Å; A80-E108 HydrophobicContact CB-CB 3.9Å; A80-E108 WeakPolarHBondContact CB-OE2 3.36Å
81	Q	95.1	Very high	88.1	Confident	101 Å²	101	64.2 Å²	64.2	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-56.4	-46.4	175.4	-176.8	64.4	26.3	0	0	112	T77 L79 M83 V84 E85	T77-Q81 WeakPolarHBondContact O-CB 3.35Å; T77-Q81 PolarHBondContact O-N 2.91Å; L79-Q81 PolarHBondContact O-N 2.82Å; Q81-M83 VanDerWaalsContact C-N 3.3Å; Q81-M83 PolarHBondContact O-N 3.13Å; Q81-V84 PolarHBondContact O-N 3.42Å; Q81-E85 HydrophobicContact CG-CG 4.47Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.37Å; Q81-E85 PolarHBondContact NE2-OE1 3.3Å; Q81-E85 WeakPolarHBondContact O-CB 3.4Å; Q81-E85 WeakPolarHBondContact O-CG 3.46Å; Q81-E85 PolarHBondContact O-N 2.61Å
82	C	97.1	Very high	89.8	Confident	79 Å²	79	63.1 Å²	63.1	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-36.4	178.4	-175.4	0	0	0	0	112.6	T78 L79 A80 G86	T78-C82 WeakPolarHBondContact O-CB 3.47Å; T78-C82 PolarHBondContact O-N 3.13Å; L79-C82 WeakPolarHBondContact O-CB 2.99Å; L79-C82 PolarHBondContact O-N 3.11Å; A80-C82 PolarHBondContact O-N 3.11Å; C82-G86 PolarHBondContact O-N 3.18Å
83	M	97.7	Very high	91.1	Very high	38 Å²	38	68.8 Å²	68.8	19%	0.187	39%	0.392	C	S	.	.	H	α-helix	trans	-71.3	-40	176.4	-65.5	179.8	83.3	0	0	112.2	L79 A80 Q81 G86 A87 L100 S103 Q107	L79-M83 HydrophobicContact CD1-CG 4.13Å; L79-M83 HydrophobicContact CD1-SD 4.06Å; L79-M83 HydrophobicContact CG-CG 4.5Å; L79-M83 HydrophobicContact CG-SD 4.05Å; L79-M83 WeakPolarHBondContact O-CG 3.26Å; L79-M83 PolarHBondContact O-N 3.04Å; A80-M83 PolarHBondContact O-N 3.1Å; A80-M83 VanDerWaalsContact O-N 3.16Å; Q81-M83 VanDerWaalsContact C-N 3.3Å; Q81-M83 PolarHBondContact O-N 3.13Å; M83-G86 PolarHBondContact O-N 3.06Å; M83-A87 WeakPolarHBondContact O-CB 3.43Å; M83-A87 PolarHBondContact O-N 3.3Å; M83-L100 HydrophobicContact CB-CD2 4.31Å; M83-L100 HydrophobicContact CE-CD2 3.85Å; M83-L100 HydrophobicContact CG-CD2 4.25Å; M83-S103 VanDerWaalsContact CE-CB 3.42Å; M83-Q107 HydrophobicContact SD-CG 4.19Å
84	V	96.3	Very high	92.1	Very high	56 Å²	56	63.3 Å²	63.3	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-41	175.6	176.1	0	0	0	0	111.4	A80 Q81 A87 A88	A80-V84 WeakPolarHBondContact O-CG2 3.38Å; A80-V84 PolarHBondContact O-N 2.95Å; Q81-V84 PolarHBondContact O-N 3.42Å; V84-A87 PolarHBondContact O-N 3.36Å; V84-A88 PolarHBondContact O-N 3.43Å
85	E	96.5	Very high	92.4	Very high	110 Å²	110	65.3 Å²	65.3	51%	0.514	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-44.4	173.1	-73.8	174.4	-175	0	0	111.6	Q81 A87 A88 V89	Q81-E85 HydrophobicContact CG-CG 4.47Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.37Å; Q81-E85 PolarHBondContact NE2-OE1 3.3Å; Q81-E85 WeakPolarHBondContact O-CB 3.4Å; Q81-E85 WeakPolarHBondContact O-CG 3.46Å; Q81-E85 PolarHBondContact O-N 2.61Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.39Å; E85-A88 PolarHBondContact O-N 2.97Å; E85-V89 WeakPolarHBondContact O-CG2 3.32Å; E85-V89 PolarHBondContact O-N 2.96Å; E85-V89 VanDerWaalsContact O-N 3.09Å
86	G	96.1	Very high	92.5	Very high	25 Å²	25	66.1 Å²	66.1	26%	0.258	38%	0.383	S	S	.	.	H	α-helix	trans	-61.1	-37.5	174.8	0	0	0	0	0	113.3	C82 M83 V89 L90	C82-G86 PolarHBondContact O-N 3.18Å; M83-G86 PolarHBondContact O-N 3.06Å; G86-V89 PolarHBondContact O-N 3.47Å; G86-L90 WeakPolarHBondContact O-CG 3.39Å; G86-L90 PolarHBondContact O-N 3.01Å
87	A	96.6	Very high	92.7	Very high	5 Å²	5	64.2 Å²	64.2	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-43.2	173.3	0	0	0	0	0	112.5	M83 V84 E85 V89 L90 G91 G97 L100 K101	M83-A87 WeakPolarHBondContact O-CB 3.43Å; M83-A87 PolarHBondContact O-N 3.3Å; V84-A87 PolarHBondContact O-N 3.36Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.39Å; A87-V89 PolarHBondContact O-N 3.49Å; A87-L90 PolarHBondContact O-N 2.88Å; A87-G91 PolarHBondContact O-N 2.65Å; A87-G97 WeakPolarHBondContact CB-O 3.42Å; A87-L100 HydrophobicContact CB-CB 3.92Å; A87-K101 HydrophobicContact CB-CB 3.75Å; A87-K101 HydrophobicContact CB-CG 4.49Å
88	A	95.4	Very high	92.7	Very high	84 Å²	84	65.5 Å²	65.5	69%	0.694	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-28.6	177.2	0	0	0	0	0	113.2	V84 E85	V84-A88 PolarHBondContact O-N 3.43Å; E85-A88 PolarHBondContact O-N 2.97Å
89	V	95.9	Very high	92.9	Very high	129 Å²	129	62.6 Å²	62.6	78%	0.782	36%	0.357	S	S	*	.	H	α-helix	trans	-75	-35	173.9	171.1	0	0	0	0	112.6	E85 G86 A87	E85-V89 WeakPolarHBondContact O-CG2 3.32Å; E85-V89 PolarHBondContact O-N 2.96Å; E85-V89 VanDerWaalsContact O-N 3.09Å; G86-V89 PolarHBondContact O-N 3.47Å; A87-V89 PolarHBondContact O-N 3.49Å
90	L	92.1	Very high	93	Very high	81 Å²	81	60.5 Å²	60.5	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-86.8	-23.1	-178.8	-69.5	169	0	0	0	113.8	G86 A87 L96 L100	G86-L90 WeakPolarHBondContact O-CG 3.39Å; G86-L90 PolarHBondContact O-N 3.01Å; A87-L90 PolarHBondContact O-N 2.88Å; L90-L96 HydrophobicContact CD1-CB 4.33Å; L90-L96 HydrophobicContact CD1-CD2 3.84Å; L90-L96 HydrophobicContact CD1-CG 3.8Å; L90-L100 HydrophobicContact CD1-CD1 3.65Å
91	G	89.6	Confident	92.9	Very high	27 Å²	27	63.9 Å²	63.9	28%	0.278	36%	0.36	S	S	.	.			trans	77.1	159.4	-178.4	0	0	0	0	0	113.8	A87 E93 S94	A87-G91 PolarHBondContact O-N 2.65Å; G91-E93 PolarHBondContact O-N 3Å; G91-S94 PolarHBondContact O-N 2.93Å
92	D	84.7	Confident	92.9	Very high	69 Å²	69	60 Å²	60	37%	0.369	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.9	178.2	-73	-41.4	0	0	0	112.5	S94 K98 K101	D92-S94 PolarHBondContact O-N 3.49Å; D92-K98 WeakPolarHBondContact O-CD 3.44Å; D92-K98 WeakPolarHBondContact O-CE 3.36Å; D92-K98 WeakPolarHBondContact O-CG 3.5Å; D92-K98 PolarHBondContact O-NZ 3.37Å; D92-K101 VanDerWaalsContact OD1-CD 3.23Å; D92-K101 WeakPolarHBondContact OD1-CD 3.43Å; D92-K101 IonicContact OD1-NZ 3.63Å; D92-K101 PolarHBondContact OD1-NZ 2.9Å; D92-K101 IonicContact OD2-NZ 2.67Å; D92-K101 PolarHBondContact OD2-NZ 3.02Å
93	E	82.9	Confident	92.9	Very high	162 Å²	162	57.7 Å²	57.7	76%	0.757	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-11	175.3	-55.5	-43.7	127.9	0	0	113.9	G91 W252	G91-E93 PolarHBondContact O-N 3Å; E93-W252 VanDerWaalsContact O-CH2 3.22Å; E93-W252 WeakPolarHBondContact O-CH2 3.49Å; E93-W252 WeakPolarHBondContact O-CZ2 3.3Å
94	S	86.6	Confident	92.8	Very high	41 Å²	41	55.9 Å²	55.9	29%	0.287	32%	0.318	S	S	.	.	S	Bend	trans	-100.3	135	172.7	-175.1	0	0	0	0	111.3	G91 D92 L96 G97 K98	G91-S94 PolarHBondContact O-N 2.93Å; D92-S94 PolarHBondContact O-N 3.49Å; S94-L96 PolarHBondContact O-N 2.82Å; S94-L96 PolarHBondContact OG-N 3.42Å; S94-G97 PolarHBondContact O-N 3.23Å; S94-G97 VanDerWaalsContact O-N 3.08Å; S94-K98 PolarHBondContact O-N 3.28Å
95	L	86.8	Confident	92.8	Very high	42 Å²	42	57.2 Å²	57.2	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-52.6	-40.4	165.7	-179.9	61.7	0	0	0	111.2	G97 K98 M99 Q249 W252	L95-G97 VanDerWaalsContact C-N 3.35Å; L95-G97 PolarHBondContact O-N 3.04Å; L95-K98 PolarHBondContact O-N 2.98Å; L95-M99 HydrophobicContact CD1-CE 4.13Å; L95-M99 HydrophobicContact CD1-CG 4Å; L95-M99 HydrophobicContact CG-CG 4.17Å; L95-M99 WeakPolarHBondContact O-CB 3.24Å; L95-M99 WeakPolarHBondContact O-CG 3.45Å; L95-M99 PolarHBondContact O-N 3.04Å; L95-Q249 HydrophobicContact CD1-CG 4.43Å; L95-Q249 HydrophobicContact CD2-CG 4.49Å; L95-W252 HydrophobicContact CB-CD2 3.74Å; L95-W252 HydrophobicContact CB-CE3 4.29Å; L95-W252 HydrophobicContact CB-CG 3.89Å; L95-W252 HydrophobicContact CB-CZ2 4.45Å; L95-W252 HydrophobicContact CD1-CB 4.31Å; L95-W252 HydrophobicContact CD1-CD2 4.41Å; L95-W252 HydrophobicContact CD1-CE3 4.47Å; L95-W252 HydrophobicContact CD1-CG 4.34Å; L95-W252 HydrophobicContact CD2-CB 3.95Å; L95-W252 HydrophobicContact CD2-CG 3.87Å; L95-W252 HydrophobicContact CG-CD2 4.44Å; L95-W252 HydrophobicContact CG-CG 4.24Å
96	L	90.3	Very high	92.8	Very high	102 Å²	102	52.1 Å²	52.1	53%	0.534	30%	0.298	S	S	.	.	H	α-helix	trans	-65.7	-38.3	179	-175.9	60.9	0	0	0	111.8	L90 S94 M99 L100	L90-L96 HydrophobicContact CD1-CB 4.33Å; L90-L96 HydrophobicContact CD1-CD2 3.84Å; L90-L96 HydrophobicContact CD1-CG 3.8Å; S94-L96 PolarHBondContact O-N 2.82Å; S94-L96 PolarHBondContact OG-N 3.42Å; L96-M99 PolarHBondContact O-N 2.98Å; L96-L100 HydrophobicContact CD1-CD1 4.23Å; L96-L100 HydrophobicContact CD1-CG 4.38Å; L96-L100 HydrophobicContact CG-CD1 4.04Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.47Å
97	G	93.5	Very high	92.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-53.1	172.9	0	0	0	0	0	111.9	A87 S94 L95 M99 L100 K101	A87-G97 WeakPolarHBondContact CB-O 3.42Å; S94-G97 PolarHBondContact O-N 3.23Å; S94-G97 VanDerWaalsContact O-N 3.08Å; L95-G97 VanDerWaalsContact C-N 3.35Å; L95-G97 PolarHBondContact O-N 3.04Å; G97-M99 VanDerWaalsContact C-N 3.32Å; G97-M99 PolarHBondContact O-N 2.88Å; G97-L100 PolarHBondContact O-N 3.33Å; G97-K101 WeakPolarHBondContact O-CB 3.29Å; G97-K101 PolarHBondContact O-N 3.26Å
98	K	92.2	Very high	92.8	Very high	56 Å²	56	56.7 Å²	56.7	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-54.9	-43.8	174.8	-73.1	179.3	166.1	107.8	0	112.4	D92 S94 L95 K101 L102 W252	D92-K98 WeakPolarHBondContact O-CD 3.44Å; D92-K98 WeakPolarHBondContact O-CE 3.36Å; D92-K98 WeakPolarHBondContact O-CG 3.5Å; D92-K98 PolarHBondContact O-NZ 3.37Å; S94-K98 PolarHBondContact O-N 3.28Å; L95-K98 PolarHBondContact O-N 2.98Å; K98-K101 PolarHBondContact O-N 3.21Å; K98-L102 WeakPolarHBondContact O-CB 3.43Å; K98-L102 PolarHBondContact O-N 3.35Å; K98-L102 VanDerWaalsContact O-N 3.11Å; K98-W252 HydrophobicContact CD-CZ3 4.35Å
99	M	94.6	Very high	92.8	Very high	22 Å²	22	57.4 Å²	57.4	11%	0.108	30%	0.299	C	S	.	.	H	α-helix	trans	-67.5	-41.6	178.7	-71.3	-59.9	96.7	0	0	112.8	L95 L96 G97 S103 I245 H248 Q249	L95-M99 HydrophobicContact CD1-CE 4.13Å; L95-M99 HydrophobicContact CD1-CG 4Å; L95-M99 HydrophobicContact CG-CG 4.17Å; L95-M99 WeakPolarHBondContact O-CB 3.24Å; L95-M99 WeakPolarHBondContact O-CG 3.45Å; L95-M99 PolarHBondContact O-N 3.04Å; L96-M99 PolarHBondContact O-N 2.98Å; G97-M99 VanDerWaalsContact C-N 3.32Å; G97-M99 PolarHBondContact O-N 2.88Å; M99-S103 WeakPolarHBondContact O-CB 3.33Å; M99-S103 PolarHBondContact O-N 3.4Å; M99-S103 PolarHBondContact O-OG 2.81Å; M99-I245 HydrophobicContact SD-CB 4.31Å; M99-I245 HydrophobicContact SD-CG1 4.3Å; M99-I245 HydrophobicContact SD-CG2 3.83Å; M99-H248 HydrophobicContact CE-CB 3.44Å; M99-H248 VanDerWaalsContact CE-CB 3.44Å; M99-Q249 HydrophobicContact SD-CG 4.25Å
100	L	95.9	Very high	92.9	Very high	41 Å²	41	51.9 Å²	51.9	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-38.5	176.1	-79	166.6	0	0	0	111.9	M83 A87 L90 L96 G97 G104	M83-L100 HydrophobicContact CB-CD2 4.31Å; M83-L100 HydrophobicContact CE-CD2 3.85Å; M83-L100 HydrophobicContact CG-CD2 4.25Å; A87-L100 HydrophobicContact CB-CB 3.92Å; L90-L100 HydrophobicContact CD1-CD1 3.65Å; L96-L100 HydrophobicContact CD1-CD1 4.23Å; L96-L100 HydrophobicContact CD1-CG 4.38Å; L96-L100 HydrophobicContact CG-CD1 4.04Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.47Å; G97-L100 PolarHBondContact O-N 3.33Å; L100-G104 PolarHBondContact O-N 3.4Å
101	K	95.3	Very high	92.9	Very high	72 Å²	72	48 Å²	48	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-59.7	176.8	-167.8	178.6	-171.5	179.5	0	111.5	A87 D92 G97 K98 S103 G104 E105	A87-K101 HydrophobicContact CB-CB 3.75Å; A87-K101 HydrophobicContact CB-CG 4.49Å; D92-K101 VanDerWaalsContact OD1-CD 3.23Å; D92-K101 WeakPolarHBondContact OD1-CD 3.43Å; D92-K101 IonicContact OD1-NZ 3.63Å; D92-K101 PolarHBondContact OD1-NZ 2.9Å; D92-K101 IonicContact OD2-NZ 2.67Å; D92-K101 PolarHBondContact OD2-NZ 3.02Å; G97-K101 WeakPolarHBondContact O-CB 3.29Å; G97-K101 PolarHBondContact O-N 3.26Å; K98-K101 PolarHBondContact O-N 3.21Å; K101-S103 VanDerWaalsContact C-N 3.29Å; K101-S103 PolarHBondContact O-N 3.17Å; K101-G104 PolarHBondContact O-N 2.97Å; K101-E105 WeakPolarHBondContact O-CG 3.43Å; K101-E105 PolarHBondContact O-N 3.03Å
102	L	95.3	Very high	93.1	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-38.7	-179.8	179.3	58.6	0	0	0	111.9	K98 T106 V241 Q244 I245	K98-L102 WeakPolarHBondContact O-CB 3.43Å; K98-L102 PolarHBondContact O-N 3.35Å; K98-L102 VanDerWaalsContact O-N 3.11Å; L102-T106 WeakPolarHBondContact O-CB 3.32Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 3.2Å; L102-V241 HydrophobicContact CD1-CG1 4.03Å; L102-V241 HydrophobicContact CD2-CG1 4.27Å; L102-V241 HydrophobicContact CG-CG1 3.89Å; L102-Q244 HydrophobicContact CD2-CB 3.93Å; L102-I245 HydrophobicContact CD2-CG1 3.7Å; L102-I245 HydrophobicContact CG-CG1 4.32Å
103	S	96.1	Very high	93.5	Very high	29 Å²	29	50.4 Å²	50.4	20%	0.203	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-45.1	175.5	-59.2	0	0	0	0	112.2	M83 M99 K101 T106 Q107	M83-S103 VanDerWaalsContact CE-CB 3.42Å; M99-S103 WeakPolarHBondContact O-CB 3.33Å; M99-S103 PolarHBondContact O-N 3.4Å; M99-S103 PolarHBondContact O-OG 2.81Å; K101-S103 VanDerWaalsContact C-N 3.29Å; K101-S103 PolarHBondContact O-N 3.17Å; S103-T106 WeakPolarHBondContact O-CA 3.43Å; S103-T106 WeakPolarHBondContact O-CB 3.33Å; S103-T106 PolarHBondContact O-N 3.12Å; S103-T106 VanDerWaalsContact O-N 3.11Å; S103-Q107 WeakPolarHBondContact O-CG 3.31Å; S103-Q107 PolarHBondContact O-N 3.3Å
104	G	96.6	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-47.2	179.7	0	0	0	0	0	112.6	L100 K101 T106 Q107 E108	L100-G104 PolarHBondContact O-N 3.4Å; K101-G104 PolarHBondContact O-N 2.97Å; G104-T106 PolarHBondContact O-N 3.08Å; G104-Q107 PolarHBondContact O-N 3Å; G104-Q107 VanDerWaalsContact O-N 3.16Å; G104-E108 PolarHBondContact O-N 2.91Å
105	E	96	Very high	94.2	Very high	84 Å²	84	42.6 Å²	42.6	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-29.9	172.3	-71.8	179.9	-153.8	0	0	112.9	K101 K109	K101-E105 WeakPolarHBondContact O-CG 3.43Å; K101-E105 PolarHBondContact O-N 3.03Å; E105-K109 VanDerWaalsContact O-CD 3.29Å; E105-K109 WeakPolarHBondContact O-CD 3.4Å; E105-K109 WeakPolarHBondContact O-CE 3.34Å; E105-K109 VanDerWaalsContact O-CG 3.27Å; E105-K109 WeakPolarHBondContact O-CG 3.07Å; E105-K109 PolarHBondContact O-N 3.36Å
106	T	96.9	Very high	94.4	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-78.3	-41.1	176.9	-56.5	0	0	0	0	111.6	L102 S103 G104 E108 K109 L110 L238 V241	L102-T106 WeakPolarHBondContact O-CB 3.32Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 3.2Å; S103-T106 WeakPolarHBondContact O-CA 3.43Å; S103-T106 WeakPolarHBondContact O-CB 3.33Å; S103-T106 PolarHBondContact O-N 3.12Å; S103-T106 VanDerWaalsContact O-N 3.11Å; G104-T106 PolarHBondContact O-N 3.08Å; T106-E108 VanDerWaalsContact C-N 3.29Å; T106-E108 PolarHBondContact O-N 3.19Å; T106-K109 PolarHBondContact O-N 2.95Å; T106-L110 HydrophobicContact CG2-CD1 4.26Å; T106-L110 WeakPolarHBondContact O-CG 3.48Å; T106-L110 PolarHBondContact O-N 3.18Å; T106-L238 HydrophobicContact CG2-CD2 4.42Å; T106-V241 HydrophobicContact CG2-CB 4.39Å; T106-V241 HydrophobicContact CG2-CG1 4.43Å; T106-V241 HydrophobicContact CG2-CG2 4.1Å; T106-V241 WeakPolarHBondContact OG1-CG2 3.42Å
107	Q	96.6	Very high	94.6	Very high	48 Å²	48	40 Å²	40	22%	0.224	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-33.5	173.9	-62.1	-53	-23.8	0	0	112	A80 M83 S103 G104 L110 A111	A80-Q107 HydrophobicContact CB-CB 3.73Å; M83-Q107 HydrophobicContact SD-CG 4.19Å; S103-Q107 WeakPolarHBondContact O-CG 3.31Å; S103-Q107 PolarHBondContact O-N 3.3Å; G104-Q107 PolarHBondContact O-N 3Å; G104-Q107 VanDerWaalsContact O-N 3.16Å; Q107-L110 PolarHBondContact O-N 3.13Å; Q107-A111 WeakPolarHBondContact O-CB 3.22Å; Q107-A111 PolarHBondContact O-N 3.43Å
108	E	95.3	Very high	94.6	Very high	78 Å²	78	40 Å²	40	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-66.5	-43	175.2	-168.5	59	-160.6	0	0	111.6	A80 G104 T106 L110 A111 Q112	A80-E108 HydrophobicContact CB-CB 3.9Å; A80-E108 WeakPolarHBondContact CB-OE2 3.36Å; G104-E108 PolarHBondContact O-N 2.91Å; T106-E108 VanDerWaalsContact C-N 3.29Å; T106-E108 PolarHBondContact O-N 3.19Å; E108-L110 PolarHBondContact O-N 3.44Å; E108-A111 PolarHBondContact O-N 2.94Å; E108-Q112 PolarHBondContact O-N 2.89Å
109	K	95.9	Very high	94.5	Very high	98 Å²	98	41.6 Å²	41.6	43%	0.426	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-41.8	174.7	-68.5	160.9	-167.7	160.5	0	111.7	E105 T106 Q112 E113 L237	E105-K109 VanDerWaalsContact O-CD 3.29Å; E105-K109 WeakPolarHBondContact O-CD 3.4Å; E105-K109 WeakPolarHBondContact O-CE 3.34Å; E105-K109 VanDerWaalsContact O-CG 3.27Å; E105-K109 WeakPolarHBondContact O-CG 3.07Å; E105-K109 PolarHBondContact O-N 3.36Å; T106-K109 PolarHBondContact O-N 2.95Å; K109-Q112 PolarHBondContact O-N 2.75Å; K109-E113 PolarHBondContact O-N 3.27Å; K109-E113 VanDerWaalsContact O-N 3.07Å; K109-L237 HydrophobicContact CB-CD1 4.06Å; K109-L237 HydrophobicContact CB-CD2 4.28Å; K109-L237 HydrophobicContact CD-CD2 4.39Å
110	L	96.7	Very high	94.4	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-38.7	174.6	-69.5	168.2	0	0	0	112.2	L76 T106 Q107 E108 Q112 E113 L114 L237 L238	L76-L110 HydrophobicContact CD2-CB 4.02Å; T106-L110 HydrophobicContact CG2-CD1 4.26Å; T106-L110 WeakPolarHBondContact O-CG 3.48Å; T106-L110 PolarHBondContact O-N 3.18Å; Q107-L110 PolarHBondContact O-N 3.13Å; E108-L110 PolarHBondContact O-N 3.44Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-E113 PolarHBondContact O-N 3.29Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.4Å; L110-L237 HydrophobicContact CD2-CB 4.34Å; L110-L237 HydrophobicContact CD2-CD1 4.05Å; L110-L237 HydrophobicContact CG-CD1 4.49Å; L110-L238 HydrophobicContact CD1-CD2 3.95Å; L110-L238 HydrophobicContact CD1-CG 4.24Å
111	A	93.5	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-38.4	174.3	0	0	0	0	0	111.6	L76 T77 Q107 E108 L114 I115	L76-A111 HydrophobicContact CB-CB 4.04Å; L76-A111 HydrophobicContact CD2-CB 4.09Å; L76-A111 HydrophobicContact CG-CB 4.12Å; T77-A111 WeakPolarHBondContact OG1-CB 3.36Å; Q107-A111 WeakPolarHBondContact O-CB 3.22Å; Q107-A111 PolarHBondContact O-N 3.43Å; E108-A111 PolarHBondContact O-N 2.94Å; A111-L114 PolarHBondContact O-N 3.32Å; A111-I115 VanDerWaalsContact O-CG1 3.31Å; A111-I115 WeakPolarHBondContact O-CG1 3.31Å; A111-I115 PolarHBondContact O-N 2.82Å
112	Q	92.6	Very high	94.2	Very high	101 Å²	101	39.1 Å²	39.1	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-66.4	-41.2	176.8	-176.8	55.8	89.7	0	0	112.5	E108 K109 L110 I115 V116	E108-Q112 PolarHBondContact O-N 2.89Å; K109-Q112 PolarHBondContact O-N 2.75Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-I115 PolarHBondContact O-N 2.88Å; Q112-V116 WeakPolarHBondContact O-CG2 3.21Å; Q112-V116 PolarHBondContact O-N 3.45Å; Q112-V116 VanDerWaalsContact O-N 3.11Å
113	E	94.8	Very high	94.1	Very high	45 Å²	45	43.6 Å²	43.6	21%	0.21	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-35.5	173.2	-74.4	-64.6	167.9	0	0	112.2	K109 L110 V116 F117 Y230 K233 L237	K109-E113 PolarHBondContact O-N 3.27Å; K109-E113 VanDerWaalsContact O-N 3.07Å; L110-E113 PolarHBondContact O-N 3.29Å; E113-V116 PolarHBondContact O-N 3.37Å; E113-F117 WeakPolarHBondContact O-CB 3.41Å; E113-F117 PolarHBondContact O-N 3.23Å; E113-Y230 HydrophobicContact CB-CD2 4.31Å; E113-Y230 HydrophobicContact CB-CE2 4.39Å; E113-K233 HydrophobicContact CG-CD 4.23Å; E113-K233 WeakPolarHBondContact OE1-CD 3.4Å; E113-K233 IonicContact OE1-NZ 3.38Å; E113-K233 PolarHBondContact OE1-NZ 3.31Å; E113-K233 WeakPolarHBondContact OE2-CD 3.43Å; E113-K233 IonicContact OE2-NZ 3.05Å; E113-K233 PolarHBondContact OE2-NZ 3.28Å; E113-L237 HydrophobicContact CG-CD1 4.31Å
114	L	93	Very high	94.1	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-38.4	173.3	-179.6	53.3	0	0	0	112.1	L74 L110 A111 F117 E118 Y230	L74-L114 HydrophobicContact CD1-CB 3.95Å; L74-L114 HydrophobicContact CD1-CD2 3.78Å; L74-L114 HydrophobicContact CD1-CG 3.63Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.4Å; A111-L114 PolarHBondContact O-N 3.32Å; L114-F117 HydrophobicContact CD1-CD1 3.95Å; L114-F117 PolarHBondContact O-N 2.87Å; L114-E118 HydrophobicContact CD1-CG 4.17Å; L114-E118 WeakPolarHBondContact O-CG 3.44Å; L114-E118 PolarHBondContact O-N 3.17Å; L114-Y230 HydrophobicContact CB-CE2 3.86Å; L114-Y230 HydrophobicContact CD1-CE1 4.39Å; L114-Y230 HydrophobicContact CD1-CE2 4.22Å
115	I	90.2	Very high	94.1	Very high	30 Å²	30	45.3 Å²	45.3	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-43.8	172.4	-71.1	166.8	0	0	0	111.2	L74 A111 Q112 L119	L74-I115 HydrophobicContact CD1-CD1 4.42Å; L74-I115 HydrophobicContact CD1-CG1 3.62Å; L74-I115 HydrophobicContact CG-CG1 4.06Å; A111-I115 VanDerWaalsContact O-CG1 3.31Å; A111-I115 WeakPolarHBondContact O-CG1 3.31Å; A111-I115 PolarHBondContact O-N 2.82Å; Q112-I115 PolarHBondContact O-N 2.88Å; I115-L119 HydrophobicContact CG2-CD1 3.78Å; I115-L119 HydrophobicContact CG2-CG 4.47Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 3.13Å; I115-L119 VanDerWaalsContact O-N 3.09Å
116	V	92	Very high	94.1	Very high	62 Å²	62	42 Å²	42	38%	0.376	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-44.1	177.9	171.1	0	0	0	0	110.9	Q112 E113 T120	Q112-V116 WeakPolarHBondContact O-CG2 3.21Å; Q112-V116 PolarHBondContact O-N 3.45Å; Q112-V116 VanDerWaalsContact O-N 3.11Å; E113-V116 PolarHBondContact O-N 3.37Å; V116-T120 WeakPolarHBondContact O-CB 3.44Å; V116-T120 PolarHBondContact O-N 3.05Å; V116-T120 PolarHBondContact O-OG1 2.87Å
117	F	94.7	Very high	94	Very high	26 Å²	26	47.1 Å²	47.1	11%	0.114	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-55	174.2	169.3	-101.2	0	0	0	112.1	E113 L114 L119 T120 I121 V226 Q227 Y230	E113-F117 WeakPolarHBondContact O-CB 3.41Å; E113-F117 PolarHBondContact O-N 3.23Å; L114-F117 HydrophobicContact CD1-CD1 3.95Å; L114-F117 PolarHBondContact O-N 2.87Å; F117-L119 PolarHBondContact O-N 2.86Å; F117-T120 PolarHBondContact O-N 3.43Å; F117-I121 HydrophobicContact CD2-CG1 4.08Å; F117-I121 HydrophobicContact CE1-CG1 4.31Å; F117-I121 HydrophobicContact CE2-CD1 4.06Å; F117-I121 HydrophobicContact CE2-CG1 3.53Å; F117-I121 HydrophobicContact CZ-CD1 4.46Å; F117-I121 HydrophobicContact CZ-CG1 3.68Å; F117-I121 WeakPolarHBondContact O-CG1 3.34Å; F117-I121 PolarHBondContact O-N 2.86Å; F117-V226 HydrophobicContact CD2-CG1 3.77Å; F117-V226 HydrophobicContact CE2-CG1 4.06Å; F117-Q227 HydrophobicContact CE2-CB 4.23Å; F117-Q227 HydrophobicContact CE2-CG 3.53Å; F117-Q227 HydrophobicContact CZ-CG 3.72Å; F117-Y230 HydrophobicContact CB-CD1 4.46Å; F117-Y230 HydrophobicContact CB-CD2 3.75Å; F117-Y230 HydrophobicContact CB-CE2 4.46Å; F117-Y230 HydrophobicContact CB-CG 3.76Å; F117-Y230 HydrophobicContact CD1-CD1 4.4Å; F117-Y230 HydrophobicContact CD2-CD1 4.14Å; F117-Y230 AromaticContact CD2-CG 3.9Å; F117-Y230 HydrophobicContact CD2-CG 3.9Å; F117-Y230 HydrophobicContact CG-CD1 4.04Å; F117-Y230 HydrophobicContact CG-CD2 4.23Å; F117-Y230 AromaticContact CG-CG 3.78Å; F117-Y230 HydrophobicContact CG-CG 3.78Å
118	E	91.8	Very high	94	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-41.8	-177.1	-71	-168.6	-177.7	0	0	112.6	L54 Q55 G56 K72 L114 T120 I121 E122	L54-E118 HydrophobicContact CB-CG 4.26Å; L54-E118 HydrophobicContact CD1-CB 4.46Å; L54-E118 HydrophobicContact CD2-CG 4.14Å; Q55-E118 WeakPolarHBondContact CA-OE1 3.42Å; Q55-E118 WeakPolarHBondContact CB-OE1 3.46Å; Q55-E118 PolarHBondContact N-OE1 2.92Å; G56-E118 VanDerWaalsContact CA-OE2 3.32Å; G56-E118 WeakPolarHBondContact CA-OE2 3.29Å; G56-E118 PolarHBondContact N-OE1 2.74Å; G56-E118 PolarHBondContact N-OE2 2.9Å; K72-E118 IonicContact NZ-OE2 3.79Å; L114-E118 HydrophobicContact CD1-CG 4.17Å; L114-E118 WeakPolarHBondContact O-CG 3.44Å; L114-E118 PolarHBondContact O-N 3.17Å; E118-T120 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.02Å; E118-I121 PolarHBondContact O-N 3.08Å; E118-E122 VanDerWaalsContact O-CB 3.26Å; E118-E122 WeakPolarHBondContact O-CB 3.46Å; E118-E122 PolarHBondContact O-N 3.43Å
119	L	90.4	Very high	94.1	Very high	88 Å²	88	42.7 Å²	42.7	46%	0.461	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-35.8	178	-71.2	170.6	0	0	0	112.3	I115 F117 K123	I115-L119 HydrophobicContact CG2-CD1 3.78Å; I115-L119 HydrophobicContact CG2-CG 4.47Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 3.13Å; I115-L119 VanDerWaalsContact O-N 3.09Å; F117-L119 PolarHBondContact O-N 2.86Å; L119-K123 WeakPolarHBondContact O-CB 3.43Å; L119-K123 PolarHBondContact O-N 3.43Å; L119-K123 VanDerWaalsContact O-N 3.12Å
120	T	93.7	Very high	94.1	Very high	43 Å²	43	39.9 Å²	39.9	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-70.9	-43.8	178.2	-51.6	0	0	0	0	110.7	V116 F117 E118 D124 V226	V116-T120 WeakPolarHBondContact O-CB 3.44Å; V116-T120 PolarHBondContact O-N 3.05Å; V116-T120 PolarHBondContact O-OG1 2.87Å; F117-T120 PolarHBondContact O-N 3.43Å; E118-T120 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.02Å; T120-D124 WeakPolarHBondContact O-CB 3.4Å; T120-D124 PolarHBondContact O-N 3.36Å; T120-V226 HydrophobicContact CG2-CG1 3.91Å; T120-V226 HydrophobicContact CG2-CG2 3.79Å
121	I	95.1	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-39.1	174.7	-66.8	-56.5	0	0	0	112.1	L50 L54 F117 E118 V125 I126 L223 V226	L50-I121 HydrophobicContact CD1-CG2 4.06Å; L50-I121 HydrophobicContact CD2-CG2 3.82Å; L50-I121 HydrophobicContact CG-CG2 3.85Å; L54-I121 HydrophobicContact CD2-CG2 4.27Å; F117-I121 HydrophobicContact CD2-CG1 4.08Å; F117-I121 HydrophobicContact CE1-CG1 4.31Å; F117-I121 HydrophobicContact CE2-CD1 4.06Å; F117-I121 HydrophobicContact CE2-CG1 3.53Å; F117-I121 HydrophobicContact CZ-CD1 4.46Å; F117-I121 HydrophobicContact CZ-CG1 3.68Å; F117-I121 WeakPolarHBondContact O-CG1 3.34Å; F117-I121 PolarHBondContact O-N 2.86Å; E118-I121 PolarHBondContact O-N 3.08Å; I121-V125 HydrophobicContact CD1-CG2 4.19Å; I121-V125 WeakPolarHBondContact O-CB 3.43Å; I121-V125 PolarHBondContact O-N 3.12Å; I121-I126 HydrophobicContact CG2-CD1 4.12Å; I121-I126 HydrophobicContact CG2-CG1 4.2Å; I121-I126 PolarHBondContact O-N 2.92Å; I121-L223 HydrophobicContact CD1-CD1 3.72Å; I121-V226 HydrophobicContact CD1-CB 3.8Å; I121-V226 HydrophobicContact CD1-CG1 3.59Å; I121-V226 HydrophobicContact CG1-CG1 3.9Å
122	E	92	Very high	94.2	Very high	40 Å²	40	44 Å²	44	19%	0.187	23%	0.226	C	C	.	.	I	π-helix	trans	-62.8	-49.6	178.6	-167.5	161	-139.1	0	0	111.4	L54 Q58 K72 E118 I126 E127	L54-E122 HydrophobicContact CD1-CB 4.31Å; Q58-E122 PolarHBondContact NE2-OE1 3.2Å; K72-E122 IonicContact NZ-OE2 2.58Å; K72-E122 PolarHBondContact NZ-OE2 2.87Å; E118-E122 VanDerWaalsContact O-CB 3.26Å; E118-E122 WeakPolarHBondContact O-CB 3.46Å; E118-E122 PolarHBondContact O-N 3.43Å; E122-I126 WeakPolarHBondContact O-CB 3.49Å; E122-I126 PolarHBondContact O-N 3.24Å; E122-E127 PolarHBondContact O-N 3.27Å
123	K	93.3	Very high	94.4	Very high	115 Å²	115	39.2 Å²	39.2	50%	0.5	20%	0.204	S	C	.	.	I	π-helix	trans	-74.4	-49	-179	175.8	-178.3	154.2	-69.2	0	114.2	L119 P128	L119-K123 WeakPolarHBondContact O-CB 3.43Å; L119-K123 PolarHBondContact O-N 3.43Å; L119-K123 VanDerWaalsContact O-N 3.12Å; K123-P128 VanDerWaalsContact O-CD 3.3Å; K123-P128 WeakPolarHBondContact O-CD 3.36Å
124	D	95.7	Very high	94.4	Very high	64 Å²	64	41.5 Å²	41.5	34%	0.342	22%	0.215	S	C	.	.	I	π-helix	trans	-96.8	-2.6	-166.5	-65.4	-54.4	0	0	0	113.6	T120 T222	T120-D124 WeakPolarHBondContact O-CB 3.4Å; T120-D124 PolarHBondContact O-N 3.36Å; D124-T222 HydrophobicContact CB-CG2 4.43Å
125	V	97.1	Very high	94.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.232	C	C	.	.	I	π-helix	trans	-133.7	-50.5	176.9	-175.1	0	0	0	0	112.9	L50 I121 L129 T222 L223	L50-V125 HydrophobicContact CD2-CB 4.4Å; L50-V125 HydrophobicContact CD2-CG1 3.72Å; I121-V125 HydrophobicContact CD1-CG2 4.19Å; I121-V125 WeakPolarHBondContact O-CB 3.43Å; I121-V125 PolarHBondContact O-N 3.12Å; V125-L129 HydrophobicContact CG1-CD1 3.87Å; V125-L129 WeakPolarHBondContact O-CB 3.46Å; V125-L129 VanDerWaalsContact O-CG 3.26Å; V125-L129 WeakPolarHBondContact O-CG 3.4Å; V125-L129 PolarHBondContact O-N 3.12Å; V125-T222 HydrophobicContact CG2-CG2 4.26Å; V125-L223 HydrophobicContact CG1-CB 4.22Å; V125-L223 HydrophobicContact CG2-CB 4.2Å
126	I	95.4	Very high	94.8	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.067	24%	0.24	C	C	.	.	I	π-helix	trans	-71.5	-48.6	-174.7	-63.2	176.8	0	0	0	111.3	H47 L50 T51 L54 I121 E122 L129 C130	H47-I126 HydrophobicContact CB-CG2 4.23Å; L50-I126 HydrophobicContact CB-CD1 4.35Å; L50-I126 HydrophobicContact CB-CG1 4.28Å; L50-I126 HydrophobicContact CD2-CD1 4.43Å; L50-I126 HydrophobicContact CD2-CG1 3.82Å; L50-I126 HydrophobicContact CG-CD1 4.01Å; L50-I126 HydrophobicContact CG-CG1 3.93Å; T51-I126 WeakPolarHBondContact OG1-CG2 3.49Å; L54-I126 HydrophobicContact CD1-CD1 3.79Å; L54-I126 HydrophobicContact CG-CD1 4.45Å; I121-I126 HydrophobicContact CG2-CD1 4.12Å; I121-I126 HydrophobicContact CG2-CG1 4.2Å; I121-I126 PolarHBondContact O-N 2.92Å; E122-I126 WeakPolarHBondContact O-CB 3.49Å; E122-I126 PolarHBondContact O-N 3.24Å; I126-L129 PolarHBondContact O-N 3.34Å; I126-C130 WeakPolarHBondContact O-CB 3.45Å; I126-C130 PolarHBondContact O-N 3.29Å
127	E	94.4	Very high	95	Very high	113 Å²	113	43.2 Å²	43.2	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-57.3	-52.4	178.3	-76.8	178.1	169.5	0	0	112.1	E122 L129 C130 D131	E122-E127 PolarHBondContact O-N 3.27Å; E127-L129 PolarHBondContact O-N 3.46Å; E127-C130 WeakPolarHBondContact O-CA 3.19Å; E127-C130 VanDerWaalsContact O-CB 3.32Å; E127-C130 WeakPolarHBondContact O-CB 3.25Å; E127-C130 PolarHBondContact O-N 3.23Å; E127-D131 PolarHBondContact O-N 2.88Å
128	P	96.6	Very high	95.1	Very high	31 Å²	31	43.9 Å²	43.9	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-39.3	176.2	-26	34	0	0	0	114.8	K123 C130 L132 Y219	K123-P128 VanDerWaalsContact O-CD 3.3Å; K123-P128 WeakPolarHBondContact O-CD 3.36Å; P128-C130 PolarHBondContact O-N 2.9Å; P128-L132 VanDerWaalsContact O-CB 3.28Å; P128-L132 WeakPolarHBondContact O-CB 3.27Å; P128-L132 PolarHBondContact O-N 2.65Å; P128-Y219 HydrophobicContact CB-CD1 4.17Å; P128-Y219 HydrophobicContact CB-CD2 4.09Å; P128-Y219 HydrophobicContact CB-CE1 3.81Å; P128-Y219 HydrophobicContact CB-CE2 3.68Å; P128-Y219 HydrophobicContact CB-CG 4.33Å; P128-Y219 HydrophobicContact CG-CE1 4.37Å
129	L	96.6	Very high	95.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-71.4	-18.9	175.7	-72.1	175.4	0	0	0	113.2	T46 H47 V125 I126 E127 A133 Y219 F220	T46-L129 HydrophobicContact CG2-CD1 3.91Å; H47-L129 HydrophobicContact CB-CB 3.9Å; H47-L129 PolarHBondContact ND1-O 3.47Å; V125-L129 HydrophobicContact CG1-CD1 3.87Å; V125-L129 WeakPolarHBondContact O-CB 3.46Å; V125-L129 VanDerWaalsContact O-CG 3.26Å; V125-L129 WeakPolarHBondContact O-CG 3.4Å; V125-L129 PolarHBondContact O-N 3.12Å; I126-L129 PolarHBondContact O-N 3.34Å; E127-L129 PolarHBondContact O-N 3.46Å; L129-A133 WeakPolarHBondContact O-CB 3.35Å; L129-Y219 HydrophobicContact CD2-CD2 3.86Å; L129-Y219 HydrophobicContact CG-CD2 4.17Å; L129-F220 HydrophobicContact CD2-CE2 4.18Å; L129-F220 HydrophobicContact CD2-CZ 4.13Å
130	C	96.3	Very high	95.6	Very high	39 Å²	39	44.1 Å²	44.1	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-78.6	-53.4	171	-162.8	0	0	0	0	110.5	I126 E127 P128 L132 A133 E134	I126-C130 WeakPolarHBondContact O-CB 3.45Å; I126-C130 PolarHBondContact O-N 3.29Å; E127-C130 WeakPolarHBondContact O-CA 3.19Å; E127-C130 VanDerWaalsContact O-CB 3.32Å; E127-C130 WeakPolarHBondContact O-CB 3.25Å; E127-C130 PolarHBondContact O-N 3.23Å; P128-C130 PolarHBondContact O-N 2.9Å; C130-L132 VanDerWaalsContact C-N 3.31Å; C130-L132 PolarHBondContact O-N 3.11Å; C130-A133 PolarHBondContact O-N 2.9Å; C130-E134 PolarHBondContact O-N 3.24Å
131	D	96.2	Very high	95.7	Very high	96 Å²	96	43.8 Å²	43.8	51%	0.513	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-41	178.7	-83.4	-19.3	0	0	0	112.3	E127 A133 V135 E136	E127-D131 PolarHBondContact O-N 2.88Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 2.7Å; D131-V135 CarbonylContact O-C 3.34Å; D131-V135 VanDerWaalsContact O-CA 3.3Å; D131-V135 WeakPolarHBondContact O-CA 3.4Å; D131-V135 VanDerWaalsContact O-CB 3.26Å; D131-V135 WeakPolarHBondContact O-CB 3.25Å; D131-V135 PolarHBondContact O-N 3.27Å; D131-E136 PolarHBondContact O-N 2.83Å
132	L	96.4	Very high	95.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	26%	0.257	C	S	.	.	I	π-helix	trans	-59.2	-42.7	174.7	179.8	57.5	0	0	0	112.6	V39 P128 C130 E136 I137 F209 Y216	V39-L132 HydrophobicContact CG1-CD2 4.17Å; P128-L132 VanDerWaalsContact O-CB 3.28Å; P128-L132 WeakPolarHBondContact O-CB 3.27Å; P128-L132 PolarHBondContact O-N 2.65Å; C130-L132 VanDerWaalsContact C-N 3.31Å; C130-L132 PolarHBondContact O-N 3.11Å; L132-E136 HydrophobicContact CD1-CB 4.33Å; L132-I137 HydrophobicContact CD1-CD1 3.97Å; L132-I137 HydrophobicContact CD1-CG1 4.07Å; L132-I137 HydrophobicContact CG-CD1 4.11Å; L132-I137 VanDerWaalsContact O-CG1 3.29Å; L132-I137 WeakPolarHBondContact O-CG1 3.22Å; L132-I137 PolarHBondContact O-N 3.04Å; L132-F209 HydrophobicContact CD1-CE2 4.16Å; L132-Y216 HydrophobicContact CD1-CD1 4.09Å; L132-Y216 HydrophobicContact CD1-CE1 3.52Å; L132-Y216 HydrophobicContact CD1-CE2 4.02Å; L132-Y216 VanDerWaalsContact CD1-CZ 3.47Å; L132-Y216 HydrophobicContact CD2-CD1 3.69Å; L132-Y216 HydrophobicContact CD2-CD2 4.33Å; L132-Y216 HydrophobicContact CD2-CE1 4.02Å; L132-Y216 HydrophobicContact CD2-CG 3.84Å; L132-Y216 HydrophobicContact CG-CD1 4.48Å; L132-Y216 HydrophobicContact CG-CE1 4.33Å
133	A	95.9	Very high	95.9	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	26%	0.259	C	S	.	.	I	π-helix	trans	-83.9	-34.5	-174.1	0	0	0	0	0	113.8	H44 L129 C130 D131 P138	H44-A133 HydrophobicContact CB-CB 4.05Å; L129-A133 WeakPolarHBondContact O-CB 3.35Å; C130-A133 PolarHBondContact O-N 2.9Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 2.7Å; A133-P138 WeakPolarHBondContact O-CD 3.47Å; A133-P138 VanDerWaalsContact O-CG 3.32Å; A133-P138 WeakPolarHBondContact O-CG 3.23Å
134	E	95.8	Very high	95.9	Very high	92 Å²	92	48.8 Å²	48.8	43%	0.43	25%	0.246	S	C	.	.	I	π-helix	trans	-106.5	-18.3	-172.7	-55.4	-153.4	172.5	0	0	113.5	H44 K48 C130 P138	H44-E134 WeakPolarHBondContact CE1-CG 3.36Å; H44-E134 IonicContact CE1-OE1 3.17Å; H44-E134 PolarHBondContact CE1-OE1 2.82Å; H44-E134 IonicContact ND1-OE1 2.74Å; H44-E134 PolarHBondContact ND1-OE1 3.38Å; H44-E134 VanDerWaalsContact NE2-CD 3.34Å; H44-E134 IonicContact NE2-OE1 2.98Å; H44-E134 PolarHBondContact NE2-OE1 2.82Å; K48-E134 IonicContact NZ-OE1 3.03Å; C130-E134 PolarHBondContact O-N 3.24Å; E134-P138 WeakPolarHBondContact O-CG 3.12Å
135	V	95.9	Very high	95.8	Very high	69 Å²	69	53 Å²	53	42%	0.418	26%	0.262	S	S	.	.	I	π-helix	trans	-116.7	-63.4	179.3	-170.8	0	0	0	0	113	D131 N139	D131-V135 CarbonylContact O-C 3.34Å; D131-V135 VanDerWaalsContact O-CA 3.3Å; D131-V135 WeakPolarHBondContact O-CA 3.4Å; D131-V135 VanDerWaalsContact O-CB 3.26Å; D131-V135 WeakPolarHBondContact O-CB 3.25Å; D131-V135 PolarHBondContact O-N 3.27Å; V135-N139 WeakPolarHBondContact O-CB 3.33Å; V135-N139 PolarHBondContact O-N 3.28Å; V135-N139 PolarHBondContact O-ND2 2.68Å
136	E	95.6	Very high	95.7	Very high	69 Å²	69	57.7 Å²	57.7	32%	0.322	28%	0.283	S	S	.	.	I	π-helix	trans	-64	-58.7	-171.2	-69.7	-151	-132.2	0	0	112.3	D131 L132 N139 I140 K212	D131-E136 PolarHBondContact O-N 2.83Å; L132-E136 HydrophobicContact CD1-CB 4.33Å; E136-N139 PolarHBondContact O-N 3.23Å; E136-N139 VanDerWaalsContact O-N 3.17Å; E136-I140 PolarHBondContact O-N 2.91Å; E136-K212 IonicContact OE1-NZ 2.76Å; E136-K212 PolarHBondContact OE1-NZ 3.26Å; E136-K212 IonicContact OE2-NZ 2.59Å; E136-K212 PolarHBondContact OE2-NZ 3.46Å
137	I	96.8	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-42	-176	-60.6	169.1	0	0	0	112.3	L36 V39 K40 L132 N139 I140 Q141 F209	L36-I137 HydrophobicContact CB-CG2 4.08Å; L36-I137 HydrophobicContact CD2-CB 4.36Å; L36-I137 HydrophobicContact CD2-CG1 3.87Å; L36-I137 HydrophobicContact CD2-CG2 3.91Å; V39-I137 HydrophobicContact CB-CD1 4.31Å; V39-I137 HydrophobicContact CG1-CD1 4.03Å; K40-I137 HydrophobicContact CB-CB 4.36Å; K40-I137 HydrophobicContact CB-CD1 3.74Å; K40-I137 HydrophobicContact CB-CG2 4.01Å; K40-I137 HydrophobicContact CD-CG2 3.94Å; K40-I137 HydrophobicContact CG-CG2 4.32Å; L132-I137 HydrophobicContact CD1-CD1 3.97Å; L132-I137 HydrophobicContact CD1-CG1 4.07Å; L132-I137 HydrophobicContact CG-CD1 4.11Å; L132-I137 VanDerWaalsContact O-CG1 3.29Å; L132-I137 WeakPolarHBondContact O-CG1 3.22Å; L132-I137 PolarHBondContact O-N 3.04Å; I137-N139 VanDerWaalsContact C-N 3.27Å; I137-N139 PolarHBondContact O-N 3.37Å; I137-I140 PolarHBondContact O-N 3.37Å; I137-Q141 HydrophobicContact CG2-CG 4.27Å; I137-Q141 WeakPolarHBondContact O-CG 3.46Å; I137-Q141 PolarHBondContact O-N 2.85Å; I137-F209 HydrophobicContact CD1-CE2 3.87Å; I137-F209 HydrophobicContact CD1-CZ 4.36Å; I137-F209 HydrophobicContact CG1-CD2 4.36Å; I137-F209 HydrophobicContact CG1-CE2 3.87Å
138	P	97.2	Very high	95.5	Very high	41 Å²	41	53.7 Å²	53.7	27%	0.266	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-30.8	173.9	-30.2	40.5	0	0	0	114.8	A133 E134 K142	A133-P138 WeakPolarHBondContact O-CD 3.47Å; A133-P138 VanDerWaalsContact O-CG 3.32Å; A133-P138 WeakPolarHBondContact O-CG 3.23Å; E134-P138 WeakPolarHBondContact O-CG 3.12Å; P138-K142 WeakPolarHBondContact O-CB 2.63Å; P138-K142 PolarHBondContact O-N 3.32Å
139	N	96.8	Very high	95.4	Very high	82 Å²	82	57.7 Å²	57.7	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-69.2	-43.8	175.1	-80.4	-39.8	0	0	0	112.2	V135 E136 I137 Q141 K142 Q143	V135-N139 WeakPolarHBondContact O-CB 3.33Å; V135-N139 PolarHBondContact O-N 3.28Å; V135-N139 PolarHBondContact O-ND2 2.68Å; E136-N139 PolarHBondContact O-N 3.23Å; E136-N139 VanDerWaalsContact O-N 3.17Å; I137-N139 VanDerWaalsContact C-N 3.27Å; I137-N139 PolarHBondContact O-N 3.37Å; N139-Q141 VanDerWaalsContact C-N 3.33Å; N139-Q141 PolarHBondContact O-N 2.82Å; N139-K142 WeakPolarHBondContact O-CB 3.31Å; N139-K142 PolarHBondContact O-N 3.4Å; N139-K142 VanDerWaalsContact O-N 3.12Å; N139-Q143 PolarHBondContact O-N 2.79Å; N139-Q143 VanDerWaalsContact O-N 3.1Å
140	I	96.1	Very high	95.3	Very high	12 Å²	12	58.6 Å²	58.6	6%	0.062	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-44.6	173.4	-57.1	175.1	0	0	0	109.9	L36 E136 I137 K142 Q143 R144 L202 D205 M206 F209	L36-I140 HydrophobicContact CD1-CG2 3.88Å; L36-I140 HydrophobicContact CD2-CD1 3.98Å; E136-I140 PolarHBondContact O-N 2.91Å; I137-I140 PolarHBondContact O-N 3.37Å; I140-K142 PolarHBondContact O-N 3.15Å; I140-Q143 PolarHBondContact O-N 3.45Å; I140-R144 WeakPolarHBondContact O-CB 3.42Å; I140-R144 PolarHBondContact O-N 3.37Å; I140-L202 HydrophobicContact CG2-CD1 3.81Å; I140-D205 HydrophobicContact CG1-CB 4.36Å; I140-M206 HydrophobicContact CG2-CG 3.68Å; I140-M206 HydrophobicContact CG2-SD 4.45Å; I140-F209 HydrophobicContact CD1-CB 3.95Å; I140-F209 HydrophobicContact CD1-CG 4.43Å
141	Q	95.3	Very high	95.1	Very high	36 Å²	36	57.7 Å²	57.7	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-24.4	176.4	-69.7	-177.1	-9.8	0	0	114	E37 I137 N139 K145	E37-Q141 PolarHBondContact OE2-NE2 2.82Å; I137-Q141 HydrophobicContact CG2-CG 4.27Å; I137-Q141 WeakPolarHBondContact O-CG 3.46Å; I137-Q141 PolarHBondContact O-N 2.85Å; N139-Q141 VanDerWaalsContact C-N 3.33Å; N139-Q141 PolarHBondContact O-N 2.82Å; Q141-K145 WeakPolarHBondContact O-CD 3.3Å; Q141-K145 VanDerWaalsContact O-CG 3.32Å; Q141-K145 WeakPolarHBondContact O-CG 3.46Å; Q141-K145 PolarHBondContact O-N 2.82Å
142	K	96.1	Very high	94.8	Very high	147 Å²	147	58.3 Å²	58.3	64%	0.639	29%	0.287	S	S	*	.	H	α-helix	trans	-75.5	-44.4	173.9	-179.9	-174.1	174.6	-170.5	0	111	P138 N139 I140 K145 H146	P138-K142 WeakPolarHBondContact O-CB 2.63Å; P138-K142 PolarHBondContact O-N 3.32Å; N139-K142 WeakPolarHBondContact O-CB 3.31Å; N139-K142 PolarHBondContact O-N 3.4Å; N139-K142 VanDerWaalsContact O-N 3.12Å; I140-K142 PolarHBondContact O-N 3.15Å; K142-K145 PolarHBondContact O-N 3.41Å; K142-H146 PolarHBondContact O-N 3.18Å
143	Q	94.3	Very high	94.6	Very high	51 Å²	51	61.3 Å²	61.3	24%	0.238	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-43.8	172.6	-69.2	-174.5	26.1	0	0	111.7	N139 I140 K145 H146 L147 L202 D205	N139-Q143 PolarHBondContact O-N 2.79Å; N139-Q143 VanDerWaalsContact O-N 3.1Å; I140-Q143 PolarHBondContact O-N 3.45Å; Q143-K145 PolarHBondContact O-N 2.9Å; Q143-H146 CarbonylContact O-C 3.58Å; Q143-H146 WeakPolarHBondContact O-CA 3.46Å; Q143-H146 WeakPolarHBondContact O-CB 3.33Å; Q143-H146 PolarHBondContact O-N 2.92Å; Q143-L147 PolarHBondContact O-N 2.96Å; Q143-L202 HydrophobicContact CB-CD1 3.92Å; Q143-D205 PolarHBondContact NE2-OD2 3.01Å; Q143-D205 PolarHBondContact OE1-OD2 3.41Å
144	R	94.1	Very high	94.5	Very high	62 Å²	62	61.3 Å²	61.3	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-54.2	-38.5	176.3	179	59.2	-177.4	113.2	-8.4	113.7	E33 I140 A148 L202	E33-R144 VanDerWaalsContact OE1-CG 3.3Å; E33-R144 WeakPolarHBondContact OE1-CG 3.17Å; E33-R144 IonicContact OE1-CZ 3.74Å; E33-R144 IonicContact OE1-NE 2.66Å; E33-R144 PolarHBondContact OE1-NE 2.87Å; E33-R144 IonicContact OE1-NH2 2.69Å; E33-R144 IonicContact OE2-CZ 2.82Å; E33-R144 IonicContact OE2-NE 3.85Å; E33-R144 PolarHBondContact OE2-NE 2.92Å; E33-R144 IonicContact OE2-NH2 3.63Å; E33-R144 PolarHBondContact OE2-NH2 3.41Å; I140-R144 WeakPolarHBondContact O-CB 3.42Å; I140-R144 PolarHBondContact O-N 3.37Å; R144-A148 PolarHBondContact O-N 2.92Å; R144-L202 HydrophobicContact CB-CD1 4.22Å; R144-L202 HydrophobicContact CB-CD2 4.12Å
145	K	94.3	Very high	94.2	Very high	152 Å²	152	58 Å²	58	66%	0.661	29%	0.287	S	S	*	.	H	α-helix	trans	-74.6	-32.4	174.1	-69.7	164.8	-171.9	165.4	0	112.6	Q141 K142 Q143 K149	Q141-K145 WeakPolarHBondContact O-CD 3.3Å; Q141-K145 VanDerWaalsContact O-CG 3.32Å; Q141-K145 WeakPolarHBondContact O-CG 3.46Å; Q141-K145 PolarHBondContact O-N 2.82Å; K142-K145 PolarHBondContact O-N 3.41Å; Q143-K145 PolarHBondContact O-N 2.9Å; K145-K149 PolarHBondContact O-N 3.38Å
146	H	94.7	Very high	94.1	Very high	100 Å²	100	57.5 Å²	57.5	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-46.3	173.5	-174.2	17.6	0	0	0	111.8	K142 Q143 A148 K149 L150	K142-H146 PolarHBondContact O-N 3.18Å; Q143-H146 CarbonylContact O-C 3.58Å; Q143-H146 WeakPolarHBondContact O-CA 3.46Å; Q143-H146 WeakPolarHBondContact O-CB 3.33Å; Q143-H146 PolarHBondContact O-N 2.92Å; H146-A148 VanDerWaalsContact C-N 3.32Å; H146-A148 PolarHBondContact O-N 3.32Å; H146-K149 WeakPolarHBondContact O-CA 3.34Å; H146-K149 WeakPolarHBondContact O-CB 3.34Å; H146-K149 PolarHBondContact O-N 2.98Å; H146-L150 PolarHBondContact O-N 2.58Å
147	L	93.6	Very high	93.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-46.1	175	179	60	0	0	0	111.3	V24 L25 Q143 K149 L150 V151 M195 C198 R199 L202	V24-L147 HydrophobicContact CG1-CD1 3.94Å; V24-L147 HydrophobicContact CG1-CD2 3.9Å; V24-L147 HydrophobicContact CG1-CG 4.01Å; L25-L147 HydrophobicContact CD2-CD2 4.15Å; Q143-L147 PolarHBondContact O-N 2.96Å; L147-K149 PolarHBondContact O-N 3.45Å; L147-K149 VanDerWaalsContact O-N 3.15Å; L147-L150 PolarHBondContact O-N 3.45Å; L147-V151 HydrophobicContact CD1-CG2 4.34Å; L147-V151 VanDerWaalsContact O-CG2 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.27Å; L147-V151 PolarHBondContact O-N 3.11Å; L147-M195 HydrophobicContact CD1-CG 4.03Å; L147-M195 WeakPolarHBondContact CD1-O 3.46Å; L147-M195 HydrophobicContact CD1-SD 4.29Å; L147-C198 HydrophobicContact CD1-CB 4.16Å; L147-R199 HydrophobicContact CD1-CB 4.04Å; L147-R199 HydrophobicContact CD2-CB 4.31Å; L147-L202 HydrophobicContact CB-CD2 4.42Å; L147-L202 HydrophobicContact CD2-CD2 3.53Å
148	A	92.2	Very high	93.5	Very high	43 Å²	43	58.2 Å²	58.2	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-26.7	175.9	0	0	0	0	0	113.9	R144 H146 L152	R144-A148 PolarHBondContact O-N 2.92Å; H146-A148 VanDerWaalsContact C-N 3.32Å; H146-A148 PolarHBondContact O-N 3.32Å; A148-L152 WeakPolarHBondContact O-CG 3.47Å
149	K	93.6	Very high	93.1	Very high	115 Å²	115	59.5 Å²	59.5	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-76.2	-47	170.6	-173.4	-169.3	176.1	-75.2	0	111.5	K145 H146 L147 V151 L152 D153	K145-K149 PolarHBondContact O-N 3.38Å; H146-K149 WeakPolarHBondContact O-CA 3.34Å; H146-K149 WeakPolarHBondContact O-CB 3.34Å; H146-K149 PolarHBondContact O-N 2.98Å; L147-K149 PolarHBondContact O-N 3.45Å; L147-K149 VanDerWaalsContact O-N 3.15Å; K149-V151 PolarHBondContact O-N 3.19Å; K149-L152 WeakPolarHBondContact O-CB 3.25Å; K149-L152 PolarHBondContact O-N 3.33Å; K149-D153 IonicContact NZ-OD1 2.63Å; K149-D153 PolarHBondContact NZ-OD1 3.48Å; K149-D153 IonicContact NZ-OD2 2.64Å; K149-D153 PolarHBondContact NZ-OD2 3.21Å; K149-D153 PolarHBondContact O-N 2.93Å
150	L	93.8	Very high	92.7	Very high	20 Å²	20	60.2 Å²	60.2	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-33.3	-178.3	-68.9	171.4	0	0	0	112.6	H146 L147 D153 M154 R194 M195 C198	H146-L150 PolarHBondContact O-N 2.58Å; L147-L150 PolarHBondContact O-N 3.45Å; L150-D153 PolarHBondContact O-N 2.99Å; L150-M154 WeakPolarHBondContact O-CB 3.46Å; L150-M154 PolarHBondContact O-N 3.16Å; L150-R194 HydrophobicContact CD2-CB 4.46Å; L150-M195 HydrophobicContact CB-CB 4.03Å; L150-M195 HydrophobicContact CB-CG 4.09Å; L150-C198 HydrophobicContact CD1-CB 3.44Å; L150-C198 VanDerWaalsContact CD1-CB 3.44Å
151	V	91.8	Very high	92.2	Very high	19 Å²	19	60.9 Å²	60.9	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-46.9	172	175.5	0	0	0	0	111.3	V24 L147 K149 M154 D155 M195	V24-V151 HydrophobicContact CB-CG2 4.25Å; V24-V151 HydrophobicContact CG1-CG2 3.89Å; V24-V151 HydrophobicContact CG2-CG1 4.06Å; V24-V151 HydrophobicContact CG2-CG2 3.57Å; L147-V151 HydrophobicContact CD1-CG2 4.34Å; L147-V151 VanDerWaalsContact O-CG2 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.27Å; L147-V151 PolarHBondContact O-N 3.11Å; K149-V151 PolarHBondContact O-N 3.19Å; V151-M154 PolarHBondContact O-N 3.46Å; V151-D155 WeakPolarHBondContact O-CB 3.42Å; V151-D155 PolarHBondContact O-N 3.04Å; V151-M195 HydrophobicContact CG2-CG 3.72Å; V151-M195 HydrophobicContact CG2-SD 3.93Å
152	L	91.9	Very high	91.7	Very high	109 Å²	109	65.1 Å²	65.1	57%	0.571	31%	0.309	S	S	*	.	H	α-helix	trans	-66.3	-37.4	176.5	-65.7	171.5	0	0	0	112.4	A148 K149 S156	A148-L152 WeakPolarHBondContact O-CG 3.47Å; K149-L152 WeakPolarHBondContact O-CB 3.25Å; K149-L152 PolarHBondContact O-N 3.33Å; L152-S156 VanDerWaalsContact O-CB 3.28Å; L152-S156 WeakPolarHBondContact O-CB 3.33Å; L152-S156 PolarHBondContact O-N 3.37Å
153	D	91.5	Very high	91.1	Very high	66 Å²	66	64.3 Å²	64.3	35%	0.353	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-41.4	175.4	-64.6	-35.6	0	0	0	110.7	K149 L150 S156 A157	K149-D153 IonicContact NZ-OD1 2.63Å; K149-D153 PolarHBondContact NZ-OD1 3.48Å; K149-D153 IonicContact NZ-OD2 2.64Å; K149-D153 PolarHBondContact NZ-OD2 3.21Å; K149-D153 PolarHBondContact O-N 2.93Å; L150-D153 PolarHBondContact O-N 2.99Å; D153-S156 WeakPolarHBondContact O-CB 3.47Å; D153-A157 PolarHBondContact O-N 3.49Å
154	M	93.7	Very high	90.3	Very high	2 Å²	2	63 Å²	63	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-68.9	-45.7	174.8	-175.5	-128	58.7	0	0	112.7	L150 V151 S156 A157 R158 A191 A192 M195	L150-M154 WeakPolarHBondContact O-CB 3.46Å; L150-M154 PolarHBondContact O-N 3.16Å; V151-M154 PolarHBondContact O-N 3.46Å; M154-S156 PolarHBondContact O-N 3.09Å; M154-A157 PolarHBondContact O-N 3.21Å; M154-A157 VanDerWaalsContact O-N 3.1Å; M154-R158 VanDerWaalsContact CE-CZ 3.42Å; M154-R158 VanDerWaalsContact O-CB 3.26Å; M154-R158 WeakPolarHBondContact O-CB 3.14Å; M154-R158 PolarHBondContact O-N 3.41Å; M154-A191 HydrophobicContact CB-CB 4.14Å; M154-A191 HydrophobicContact CG-CB 4.37Å; M154-A192 HydrophobicContact CG-CB 4.13Å; M154-A192 HydrophobicContact SD-CB 4.36Å; M154-M195 HydrophobicContact CE-CE 4.5Å; M154-M195 HydrophobicContact SD-CE 3.56Å; M154-M195 VanDerWaalsContact SD-CE 3.56Å
155	D	90.3	Very high	89.1	Confident	22 Å²	22	63.8 Å²	63.8	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-34.1	176.7	-81.2	-34.5	0	0	0	111.1	V151 R158 T159	V151-D155 WeakPolarHBondContact O-CB 3.42Å; V151-D155 PolarHBondContact O-N 3.04Å; D155-R158 IonicContact OD1-NH1 2.75Å; D155-T159 VanDerWaalsContact O-CB 3.25Å; D155-T159 WeakPolarHBondContact O-CB 3.49Å; D155-T159 PolarHBondContact O-N 3.05Å; D155-T159 PolarHBondContact O-OG1 3Å
156	S	92.1	Very high	87.9	Confident	60 Å²	60	64.5 Å²	64.5	42%	0.42	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-48.8	171.1	-169.9	0	0	0	0	111.9	L152 D153 M154 T159 R160	L152-S156 VanDerWaalsContact O-CB 3.28Å; L152-S156 WeakPolarHBondContact O-CB 3.33Å; L152-S156 PolarHBondContact O-N 3.37Å; D153-S156 WeakPolarHBondContact O-CB 3.47Å; M154-S156 PolarHBondContact O-N 3.09Å; S156-T159 PolarHBondContact O-N 3.33Å; S156-R160 WeakPolarHBondContact O-CG 3.36Å; S156-R160 PolarHBondContact O-N 3.4Å; S156-R160 PolarHBondContact OG-NH1 3.18Å; S156-R160 VanDerWaalsContact OG-NH1 3.11Å
157	A	90.6	Very high	86.3	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-47	178.3	0	0	0	0	0	112.2	D153 M154 T159 R160 Y161 M188 A191	D153-A157 PolarHBondContact O-N 3.49Å; M154-A157 PolarHBondContact O-N 3.21Å; M154-A157 VanDerWaalsContact O-N 3.1Å; A157-T159 VanDerWaalsContact C-N 3.28Å; A157-T159 PolarHBondContact O-N 3.02Å; A157-R160 PolarHBondContact O-N 3.43Å; A157-R160 VanDerWaalsContact O-N 3.1Å; A157-Y161 PolarHBondContact O-N 2.94Å; A157-M188 HydrophobicContact CB-CB 4.26Å; A157-A191 HydrophobicContact CB-CB 4.13Å
158	R	89.5	Confident	84.4	Confident	81 Å²	81	66.1 Å²	66.1	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-53.2	-43.8	172.1	-179.9	-174.5	-74.8	-178.2	-5.6	111.8	M154 D155 Y161 Y162 M188	M154-R158 VanDerWaalsContact CE-CZ 3.42Å; M154-R158 VanDerWaalsContact O-CB 3.26Å; M154-R158 WeakPolarHBondContact O-CB 3.14Å; M154-R158 PolarHBondContact O-N 3.41Å; D155-R158 IonicContact OD1-NH1 2.75Å; R158-Y161 PolarHBondContact O-N 3.18Å; R158-Y162 HydrophobicContact CG-CD2 3.78Å; R158-Y162 HydrophobicContact CG-CE2 3.56Å; R158-Y162 VanDerWaalsContact O-CD2 3.23Å; R158-Y162 WeakPolarHBondContact O-CD2 3.34Å; R158-Y162 PolarHBondContact O-N 3.34Å; R158-M188 HydrophobicContact CB-CG 4.11Å; R158-M188 HydrophobicContact CB-SD 4.06Å; R158-M188 HydrophobicContact CG-SD 4.19Å
159	T	89.3	Confident	82.6	Confident	69 Å²	69	67.4 Å²	67.4	42%	0.423	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-43.3	176.7	-61.8	0	0	0	0	112	D155 S156 A157 Q163	D155-T159 VanDerWaalsContact O-CB 3.25Å; D155-T159 WeakPolarHBondContact O-CB 3.49Å; D155-T159 PolarHBondContact O-N 3.05Å; D155-T159 PolarHBondContact O-OG1 3Å; S156-T159 PolarHBondContact O-N 3.33Å; A157-T159 VanDerWaalsContact C-N 3.28Å; A157-T159 PolarHBondContact O-N 3.02Å; T159-Q163 HydrophobicContact CG2-CG 4.42Å; T159-Q163 WeakPolarHBondContact O-CB 3.45Å; T159-Q163 VanDerWaalsContact O-CG 3.28Å; T159-Q163 WeakPolarHBondContact O-CG 3.43Å; T159-Q163 PolarHBondContact O-N 2.73Å
160	R	88.4	Confident	80.8	Confident	96 Å²	96	69.5 Å²	69.5	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-46	175.8	-66.8	-168.7	-57.5	-86.4	12.9	111.4	S156 A157 Q163 S164 L184 E187	S156-R160 WeakPolarHBondContact O-CG 3.36Å; S156-R160 PolarHBondContact O-N 3.4Å; S156-R160 PolarHBondContact OG-NH1 3.18Å; S156-R160 VanDerWaalsContact OG-NH1 3.11Å; A157-R160 PolarHBondContact O-N 3.43Å; A157-R160 VanDerWaalsContact O-N 3.1Å; R160-Q163 PolarHBondContact O-N 2.55Å; R160-S164 PolarHBondContact O-N 2.89Å; R160-L184 HydrophobicContact CB-CD2 4.15Å; R160-E187 IonicContact CZ-OE1 2.89Å; R160-E187 IonicContact NE-OE1 3.69Å; R160-E187 IonicContact NH2-OE1 3.6Å; R160-E187 PolarHBondContact NH2-OE1 3.4Å
161	Y	86.1	Confident	78.7	Confident	27 Å²	27	73.5 Å²	73.5	11%	0.106	40%	0.401	C	S	.	.	H	α-helix	trans	-59.2	-53.5	177.3	176.6	-114.5	0	0	0	112.2	A157 R158 Q163 S164 N165 A181 L184 R185 M188	A157-Y161 PolarHBondContact O-N 2.94Å; R158-Y161 PolarHBondContact O-N 3.18Å; Y161-Q163 VanDerWaalsContact C-N 3.33Å; Y161-Q163 PolarHBondContact O-N 2.59Å; Y161-S164 PolarHBondContact O-N 3.16Å; Y161-N165 WeakPolarHBondContact O-CB 3.35Å; Y161-N165 PolarHBondContact O-N 2.94Å; Y161-A181 WeakPolarHBondContact CE2-O 3.45Å; Y161-L184 HydrophobicContact CD2-CB 4.08Å; Y161-R185 HydrophobicContact CD2-CB 4.12Å; Y161-R185 HydrophobicContact CE2-CB 3.68Å; Y161-R185 HydrophobicContact CE2-CG 4.16Å; Y161-R185 PolarHBondContact OH-NE 3.17Å; Y161-M188 HydrophobicContact CD1-CE 4.09Å; Y161-M188 HydrophobicContact CD1-SD 3.75Å; Y161-M188 HydrophobicContact CE1-CE 4.27Å; Y161-M188 HydrophobicContact CE1-SD 4.47Å; Y161-M188 HydrophobicContact CG-SD 4.23Å
162	Y	83.3	Confident	76.5	Confident	125 Å²	125	77.9 Å²	77.9	49%	0.49	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-31.1	-179.8	-76	-55.5	0	0	0	114	R158 K166	R158-Y162 HydrophobicContact CG-CD2 3.78Å; R158-Y162 HydrophobicContact CG-CE2 3.56Å; R158-Y162 VanDerWaalsContact O-CD2 3.23Å; R158-Y162 WeakPolarHBondContact O-CD2 3.34Å; R158-Y162 PolarHBondContact O-N 3.34Å; Y162-K166 WeakPolarHBondContact O-CB 3.46Å; Y162-K166 WeakPolarHBondContact O-CG 3.32Å; Y162-K166 PolarHBondContact O-N 3.35Å; Y162-K166 VanDerWaalsContact O-N 3.12Å
163	Q	83.9	Confident	74.3	Confident	129 Å²	129	79.6 Å²	79.6	60%	0.603	44%	0.442	S	S	*	.	H	α-helix	trans	-66.6	-47.6	173.1	-74.9	177.8	8.1	0	0	111.1	T159 R160 Y161 N165 K166 S167	T159-Q163 HydrophobicContact CG2-CG 4.42Å; T159-Q163 WeakPolarHBondContact O-CB 3.45Å; T159-Q163 VanDerWaalsContact O-CG 3.28Å; T159-Q163 WeakPolarHBondContact O-CG 3.43Å; T159-Q163 PolarHBondContact O-N 2.73Å; R160-Q163 PolarHBondContact O-N 2.55Å; Y161-Q163 VanDerWaalsContact C-N 3.33Å; Y161-Q163 PolarHBondContact O-N 2.59Å; Q163-N165 VanDerWaalsContact C-N 3.34Å; Q163-N165 PolarHBondContact O-N 3.09Å; Q163-K166 PolarHBondContact O-N 3.48Å; Q163-S167 PolarHBondContact O-N 3.01Å; Q163-S167 VanDerWaalsContact O-N 3.15Å; Q163-S167 PolarHBondContact O-OG 3.24Å
164	S	77.8	Confident	72.1	Confident	24 Å²	24	84.1 Å²	84.1	17%	0.168	47%	0.466	C	S	.	.	H	α-helix	trans	-59.3	-44.9	176.2	-167.3	0	0	0	0	111.7	R160 Y161 K166 S167 S168	R160-S164 PolarHBondContact O-N 2.89Å; Y161-S164 PolarHBondContact O-N 3.16Å; S164-K166 VanDerWaalsContact C-N 3.31Å; S164-K166 PolarHBondContact O-N 3.07Å; S164-S167 PolarHBondContact O-N 2.94Å; S164-S167 PolarHBondContact O-OG 3.34Å; S164-S168 PolarHBondContact O-N 3.4Å; S164-S168 PolarHBondContact O-OG 3.19Å
165	N	69.1	Low	70.1	Confident	79 Å²	79	93 Å²	93	42%	0.422	51%	0.507	S	S	.	.	H	α-helix	trans	-69.7	-25.5	-177.6	-158.2	22	0	0	0	113.3	Y161 Q163 S168	Y161-N165 WeakPolarHBondContact O-CB 3.35Å; Y161-N165 PolarHBondContact O-N 2.94Å; Q163-N165 VanDerWaalsContact C-N 3.34Å; Q163-N165 PolarHBondContact O-N 3.09Å; N165-S168 WeakPolarHBondContact CA-OG 3.38Å; N165-S168 PolarHBondContact O-OG 3.08Å
166	K	69.4	Low	68.2	Low	166 Å²	166	97 Å²	97	72%	0.722	53%	0.534	S	S	*	.	H	α-helix	trans	-76.1	-35.5	171.5	-76.9	175.9	179.3	178.7	0	112.7	Y162 Q163 S164 S168 G169	Y162-K166 WeakPolarHBondContact O-CB 3.46Å; Y162-K166 WeakPolarHBondContact O-CG 3.32Å; Y162-K166 PolarHBondContact O-N 3.35Å; Y162-K166 VanDerWaalsContact O-N 3.12Å; Q163-K166 PolarHBondContact O-N 3.48Å; S164-K166 VanDerWaalsContact C-N 3.31Å; S164-K166 PolarHBondContact O-N 3.07Å; K166-S168 VanDerWaalsContact C-N 3.26Å; K166-S168 PolarHBondContact O-N 2.94Å; K166-G169 PolarHBondContact O-N 3.21Å
167	S	60.2	Low	66.4	Low	80 Å²	80	99.2 Å²	99.2	56%	0.559	55%	0.545	S	S	*	.	H	α-helix	trans	-67	-23.3	177.4	50.4	0	0	0	0	114.3	Q163 S164 G169	Q163-S167 PolarHBondContact O-N 3.01Å; Q163-S167 VanDerWaalsContact O-N 3.15Å; Q163-S167 PolarHBondContact O-OG 3.24Å; S164-S167 PolarHBondContact O-N 2.94Å; S164-S167 PolarHBondContact O-OG 3.34Å; S167-G169 VanDerWaalsContact C-N 3.31Å; S167-G169 PolarHBondContact O-N 3.26Å
168	S	54.3	Low	65.1	Low	55 Å²	55	100.7 Å²	100.7	39%	0.385	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-73.2	-13.4	177	23.7	0	0	0	0	115.1	S164 N165 K166 L170	S164-S168 PolarHBondContact O-N 3.4Å; S164-S168 PolarHBondContact O-OG 3.19Å; N165-S168 WeakPolarHBondContact CA-OG 3.38Å; N165-S168 PolarHBondContact O-OG 3.08Å; K166-S168 VanDerWaalsContact C-N 3.26Å; K166-S168 PolarHBondContact O-N 2.94Å; S168-L170 VanDerWaalsContact C-N 3.3Å; S168-L170 PolarHBondContact O-N 3.48Å
169	G	54.3	Low	64.2	Low	69 Å²	69	100.3 Å²	100.3	71%	0.711	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-79.3	0.4	-176.3	0	0	0	0	0	116.3	K166 S167	K166-G169 PolarHBondContact O-N 3.21Å; S167-G169 VanDerWaalsContact C-N 3.31Å; S167-G169 PolarHBondContact O-N 3.26Å
170	L	55.4	Low	63.7	Low	159 Å²	159	104.2 Å²	104.2	83%	0.832	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-129	9.7	-167	-91.1	156.2	0	0	0	115	S168	S168-L170 VanDerWaalsContact C-N 3.3Å; S168-L170 PolarHBondContact O-N 3.48Å
171	S	49.8	Very low	63.3	Low	104 Å²	104	100.2 Å²	100.2	73%	0.727	57%	0.574	S	S	*	*			trans	-137.8	99.8	178.7	-70.3	0	0	0	0	112.4	N173	S171-N173 PolarHBondContact O-N 2.84Å
172	S	46.1	Very low	63.1	Low	111 Å²	111	102.1 Å²	102.1	78%	0.776	59%	0.586	S	S	*	*			trans	-80.2	102	164.7	55.4	0	0	0	0	110.3
173	N	44.7	Very low	63.3	Low	146 Å²	146	101.4 Å²	101.4	78%	0.781	59%	0.587	S	S	*	*	S	Bend	trans	175.2	123.8	136.3	-89.7	-27.1	0	0	0	112.8	S171	S171-N173 PolarHBondContact O-N 2.84Å
174	L	46.3	Very low	63.5	Low	161 Å²	161	96.3 Å²	96.3	84%	0.843	56%	0.564	S	S	*	*			trans	65.2	156	166	-74.4	75.1	0	0	0	118.4
175	Q	51.1	Low	64	Low	187 Å²	187	99.8 Å²	99.8	87%	0.874	57%	0.573	S	S	*	*	S	Bend	trans	-79.7	166.9	-174.7	-72.8	171.4	-76.9	0	0	113
176	P	50.6	Low	65	Low	106 Å²	106	102.6 Å²	102.6	69%	0.688	58%	0.584	S	S	*	*			cis	-124	86.6	5.8	36.5	-18.9	0	0	0	113	G178	P176-G178 PolarHBondContact O-N 2.99Å
177	T	54.8	Low	66	Low	107 Å²	107	97.5 Å²	97.5	66%	0.656	56%	0.562	S	S	*	*			trans	-70.1	-14.9	176.4	34.6	0	0	0	0	114.7
178	G	62	Low	67.5	Low	34 Å²	34	95.4 Å²	95.4	35%	0.351	54%	0.544	S	S	.	.	H	α-helix	trans	-58	-65.8	177.5	0	0	0	0	0	113.1	P176 K180 A181 D182	P176-G178 PolarHBondContact O-N 2.99Å; G178-K180 PolarHBondContact O-N 2.86Å; G178-A181 CarbonylContact O-C 3.43Å; G178-A181 WeakPolarHBondContact O-CA 3.35Å; G178-A181 WeakPolarHBondContact O-CB 3.25Å; G178-A181 PolarHBondContact O-N 2.98Å; G178-D182 PolarHBondContact O-N 3.17Å
179	A	72.3	Confident	69.3	Low	73 Å²	73	98 Å²	98	60%	0.603	55%	0.55	S	S	*	*	H	α-helix	trans	-51.6	-33.2	-170.3	0	0	0	0	0	115.2	H183	A179-H183 WeakPolarHBondContact O-CB 3.38Å; A179-H183 PolarHBondContact O-N 2.89Å
180	K	78.9	Confident	71.3	Confident	150 Å²	150	99.3 Å²	99.3	65%	0.652	54%	0.538	S	S	*	.	H	α-helix	trans	-74.8	-38.3	174.5	-176.6	178.2	176.3	-177.2	0	112.9	G178 D182 L184	G178-K180 PolarHBondContact O-N 2.86Å; K180-D182 VanDerWaalsContact C-N 3.35Å; K180-L184 WeakPolarHBondContact O-CG 3.45Å; K180-L184 PolarHBondContact O-N 3.27Å
181	A	79.3	Confident	73	Confident	12 Å²	12	92.3 Å²	92.3	10%	0.099	50%	0.503	C	S	.	.	H	α-helix	trans	-70.1	-34.3	173.4	0	0	0	0	0	111.6	Y161 G178 L184 R185	Y161-A181 WeakPolarHBondContact CE2-O 3.45Å; G178-A181 CarbonylContact O-C 3.43Å; G178-A181 WeakPolarHBondContact O-CA 3.35Å; G178-A181 WeakPolarHBondContact O-CB 3.25Å; G178-A181 PolarHBondContact O-N 2.98Å; A181-L184 PolarHBondContact O-N 3.1Å; A181-R185 PolarHBondContact O-N 3.48Å
182	D	81.6	Confident	75	Confident	67 Å²	67	88.8 Å²	88.8	36%	0.358	48%	0.48	S	S	.	.	H	α-helix	trans	-71.7	-43.3	177.6	-60.2	-47.1	0	0	0	111.5	G178 K180 L184 R185 E186	G178-D182 PolarHBondContact O-N 3.17Å; K180-D182 VanDerWaalsContact C-N 3.35Å; D182-L184 VanDerWaalsContact C-N 3.31Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-R185 WeakPolarHBondContact O-CA 3.46Å; D182-R185 VanDerWaalsContact O-CB 3.28Å; D182-R185 WeakPolarHBondContact O-CB 3.3Å; D182-R185 PolarHBondContact O-N 3.44Å; D182-R185 IonicContact OD1-CZ 2.73Å; D182-R185 IonicContact OD1-NH1 3.36Å; D182-R185 PolarHBondContact OD1-NH1 2.98Å; D182-R185 IonicContact OD1-NH2 3.24Å; D182-R185 PolarHBondContact OD1-NH2 3.44Å; D182-E186 PolarHBondContact O-N 3.35Å
183	H	87.8	Confident	77.4	Confident	110 Å²	110	87.2 Å²	87.2	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-57.4	-41.4	169.6	-178.9	-64.7	0	0	0	112.4	A179 R185 E186 E187	A179-H183 WeakPolarHBondContact O-CB 3.38Å; A179-H183 PolarHBondContact O-N 2.89Å; H183-R185 VanDerWaalsContact C-N 3.26Å; H183-R185 PolarHBondContact O-N 2.81Å; H183-E186 PolarHBondContact O-N 2.98Å; H183-E187 IonicContact CE1-OE2 2.71Å; H183-E187 PolarHBondContact CE1-OE2 3.03Å; H183-E187 IonicContact ND1-OE2 3.18Å; H183-E187 PolarHBondContact ND1-OE2 3.43Å; H183-E187 PolarHBondContact O-N 2.98Å
184	L	87.5	Confident	79.7	Confident	22 Å²	22	86.2 Å²	86.2	12%	0.115	45%	0.448	C	S	.	.	H	α-helix	trans	-70.7	-21.3	175.7	-74.6	169.9	0	0	0	113.1	R160 Y161 K180 A181 D182 M188	R160-L184 HydrophobicContact CB-CD2 4.15Å; Y161-L184 HydrophobicContact CD2-CB 4.08Å; K180-L184 WeakPolarHBondContact O-CG 3.45Å; K180-L184 PolarHBondContact O-N 3.27Å; A181-L184 PolarHBondContact O-N 3.1Å; D182-L184 VanDerWaalsContact C-N 3.31Å; D182-L184 PolarHBondContact O-N 2.88Å; L184-M188 WeakPolarHBondContact O-CB 3.21Å; L184-M188 PolarHBondContact O-N 3.29Å
185	R	87.7	Confident	82	Confident	97 Å²	97	79.5 Å²	79.5	37%	0.366	41%	0.413	S	S	.	.	H	α-helix	trans	-74.7	-47	169.5	-167	-175	-57.8	120.9	15.1	110.2	Y161 A181 D182 H183 M188 E189	Y161-R185 HydrophobicContact CD2-CB 4.12Å; Y161-R185 HydrophobicContact CE2-CB 3.68Å; Y161-R185 HydrophobicContact CE2-CG 4.16Å; Y161-R185 PolarHBondContact OH-NE 3.17Å; A181-R185 PolarHBondContact O-N 3.48Å; D182-R185 WeakPolarHBondContact O-CA 3.46Å; D182-R185 VanDerWaalsContact O-CB 3.28Å; D182-R185 WeakPolarHBondContact O-CB 3.3Å; D182-R185 PolarHBondContact O-N 3.44Å; D182-R185 IonicContact OD1-CZ 2.73Å; D182-R185 IonicContact OD1-NH1 3.36Å; D182-R185 PolarHBondContact OD1-NH1 2.98Å; D182-R185 IonicContact OD1-NH2 3.24Å; D182-R185 PolarHBondContact OD1-NH2 3.44Å; H183-R185 VanDerWaalsContact C-N 3.26Å; H183-R185 PolarHBondContact O-N 2.81Å; R185-M188 HydrophobicContact CG-CE 4.43Å; R185-M188 WeakPolarHBondContact O-CB 3.48Å; R185-M188 PolarHBondContact O-N 3.3Å; R185-M188 VanDerWaalsContact O-N 3.08Å; R185-E189 WeakPolarHBondContact O-CB 3.37Å; R185-E189 PolarHBondContact O-N 3.15Å
186	E	91.4	Very high	84.1	Confident	138 Å²	138	74.5 Å²	74.5	65%	0.645	39%	0.39	S	S	*	.	H	α-helix	trans	-60.3	-45.6	178.3	-170.8	173.9	-166.2	0	0	111.7	D182 H183 M188 E189 E190	D182-E186 PolarHBondContact O-N 3.35Å; H183-E186 PolarHBondContact O-N 2.98Å; E186-M188 VanDerWaalsContact C-N 3.29Å; E186-M188 PolarHBondContact O-N 2.14Å; E186-E189 PolarHBondContact O-N 3.44Å; E186-E190 WeakPolarHBondContact O-CB 3.41Å; E186-E190 PolarHBondContact O-N 3.04Å
187	E	90.7	Very high	86.2	Confident	59 Å²	59	75.4 Å²	75.4	28%	0.276	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-39.1	171	-85.3	-174.5	71	0	0	113.2	R160 H183 A191	R160-E187 IonicContact CZ-OE1 2.89Å; R160-E187 IonicContact NE-OE1 3.69Å; R160-E187 IonicContact NH2-OE1 3.6Å; R160-E187 PolarHBondContact NH2-OE1 3.4Å; H183-E187 IonicContact CE1-OE2 2.71Å; H183-E187 PolarHBondContact CE1-OE2 3.03Å; H183-E187 IonicContact ND1-OE2 3.18Å; H183-E187 PolarHBondContact ND1-OE2 3.43Å; H183-E187 PolarHBondContact O-N 2.98Å; E187-A191 VanDerWaalsContact O-CB 3.23Å; E187-A191 WeakPolarHBondContact O-CB 3.12Å; E187-A191 PolarHBondContact O-N 3.15Å; E187-A191 VanDerWaalsContact O-N 3.07Å
188	M	90.9	Very high	88.1	Confident	37 Å²	37	71 Å²	71	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-72.7	-41.4	-180	179.2	-165.7	71.4	0	0	111.3	A157 R158 Y161 L184 R185 E186 A191 A192	A157-M188 HydrophobicContact CB-CB 4.26Å; R158-M188 HydrophobicContact CB-CG 4.11Å; R158-M188 HydrophobicContact CB-SD 4.06Å; R158-M188 HydrophobicContact CG-SD 4.19Å; Y161-M188 HydrophobicContact CD1-CE 4.09Å; Y161-M188 HydrophobicContact CD1-SD 3.75Å; Y161-M188 HydrophobicContact CE1-CE 4.27Å; Y161-M188 HydrophobicContact CE1-SD 4.47Å; Y161-M188 HydrophobicContact CG-SD 4.23Å; L184-M188 WeakPolarHBondContact O-CB 3.21Å; L184-M188 PolarHBondContact O-N 3.29Å; R185-M188 HydrophobicContact CG-CE 4.43Å; R185-M188 WeakPolarHBondContact O-CB 3.48Å; R185-M188 PolarHBondContact O-N 3.3Å; R185-M188 VanDerWaalsContact O-N 3.08Å; E186-M188 VanDerWaalsContact C-N 3.29Å; E186-M188 PolarHBondContact O-N 2.14Å; M188-A191 PolarHBondContact O-N 3.48Å; M188-A192 WeakPolarHBondContact O-CB 3.34Å; M188-A192 PolarHBondContact O-N 2.91Å
189	E	93.3	Very high	89.7	Confident	109 Å²	109	72.6 Å²	72.6	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-43.5	178.4	-169.5	169.1	163.9	0	0	111	R185 E186 A191 A192 N193	R185-E189 WeakPolarHBondContact O-CB 3.37Å; R185-E189 PolarHBondContact O-N 3.15Å; E186-E189 PolarHBondContact O-N 3.44Å; E189-A191 VanDerWaalsContact C-N 3.35Å; E189-A191 PolarHBondContact O-N 2.66Å; E189-A192 PolarHBondContact O-N 3.21Å; E189-N193 WeakPolarHBondContact O-CB 3.33Å; E189-N193 PolarHBondContact O-N 3.13Å; E189-N193 PolarHBondContact O-ND2 3.34Å
190	E	94.4	Very high	90.7	Very high	97 Å²	97	72.6 Å²	72.6	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-38.8	173.7	-159.9	-162.3	-162.8	0	0	111.9	E186 R194	E186-E190 WeakPolarHBondContact O-CB 3.41Å; E186-E190 PolarHBondContact O-N 3.04Å; E190-R194 WeakPolarHBondContact O-CB 3.17Å; E190-R194 VanDerWaalsContact O-CG 3.27Å; E190-R194 WeakPolarHBondContact O-CG 3.48Å; E190-R194 PolarHBondContact O-N 3.05Å; E190-R194 VanDerWaalsContact O-N 3.07Å; E190-R194 IonicContact OE1-CZ 3.2Å; E190-R194 IonicContact OE1-NH1 2.71Å; E190-R194 IonicContact OE1-NH2 2.68Å; E190-R194 PolarHBondContact OE1-NH2 3.17Å; E190-R194 IonicContact OE2-CZ 2.6Å; E190-R194 IonicContact OE2-NH1 2.9Å; E190-R194 PolarHBondContact OE2-NH1 3.02Å; E190-R194 IonicContact OE2-NH2 3.35Å; E190-R194 PolarHBondContact OE2-NH2 3.15Å
191	A	92.4	Very high	91.5	Very high	12 Å²	12	70.4 Å²	70.4	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-35.8	173.6	0	0	0	0	0	112.7	M154 A157 E187 M188 E189 M195	M154-A191 HydrophobicContact CB-CB 4.14Å; M154-A191 HydrophobicContact CG-CB 4.37Å; A157-A191 HydrophobicContact CB-CB 4.13Å; E187-A191 VanDerWaalsContact O-CB 3.23Å; E187-A191 WeakPolarHBondContact O-CB 3.12Å; E187-A191 PolarHBondContact O-N 3.15Å; E187-A191 VanDerWaalsContact O-N 3.07Å; M188-A191 PolarHBondContact O-N 3.48Å; E189-A191 VanDerWaalsContact C-N 3.35Å; E189-A191 PolarHBondContact O-N 2.66Å; A191-M195 WeakPolarHBondContact O-CB 3.29Å; A191-M195 PolarHBondContact O-N 3.28Å
192	A	92.1	Very high	92.3	Very high	30 Å²	30	69.9 Å²	69.9	25%	0.248	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-49.4	174.5	0	0	0	0	0	111.4	M154 M188 E189 R194 M195 E196	M154-A192 HydrophobicContact CG-CB 4.13Å; M154-A192 HydrophobicContact SD-CB 4.36Å; M188-A192 WeakPolarHBondContact O-CB 3.34Å; M188-A192 PolarHBondContact O-N 2.91Å; E189-A192 PolarHBondContact O-N 3.21Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.45Å; A192-M195 WeakPolarHBondContact O-CA 3.34Å; A192-M195 WeakPolarHBondContact O-CB 3.3Å; A192-M195 PolarHBondContact O-N 3.14Å; A192-E196 WeakPolarHBondContact O-CB 3.35Å; A192-E196 PolarHBondContact O-N 3.42Å
193	N	95	Very high	93	Very high	78 Å²	78	67.3 Å²	67.3	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-42.5	179.3	-68	-17.8	0	0	0	111.9	E189 M195 E196 I197	E189-N193 WeakPolarHBondContact O-CB 3.33Å; E189-N193 PolarHBondContact O-N 3.13Å; E189-N193 PolarHBondContact O-ND2 3.34Å; N193-M195 VanDerWaalsContact C-N 3.33Å; N193-M195 PolarHBondContact O-N 3.23Å; N193-E196 PolarHBondContact O-N 3.04Å; N193-I197 WeakPolarHBondContact O-CD1 3.45Å; N193-I197 VanDerWaalsContact O-CG1 3.27Å; N193-I197 WeakPolarHBondContact O-CG1 3.3Å; N193-I197 PolarHBondContact O-N 3.4Å
194	R	94.7	Very high	93.4	Very high	124 Å²	124	64 Å²	64	47%	0.468	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-40.5	173	-74.1	174.7	-178.7	126.7	-3.9	112.8	L150 E190 A192 C198	L150-R194 HydrophobicContact CD2-CB 4.46Å; E190-R194 WeakPolarHBondContact O-CB 3.17Å; E190-R194 VanDerWaalsContact O-CG 3.27Å; E190-R194 WeakPolarHBondContact O-CG 3.48Å; E190-R194 PolarHBondContact O-N 3.05Å; E190-R194 VanDerWaalsContact O-N 3.07Å; E190-R194 IonicContact OE1-CZ 3.2Å; E190-R194 IonicContact OE1-NH1 2.71Å; E190-R194 IonicContact OE1-NH2 2.68Å; E190-R194 PolarHBondContact OE1-NH2 3.17Å; E190-R194 IonicContact OE2-CZ 2.6Å; E190-R194 IonicContact OE2-NH1 2.9Å; E190-R194 PolarHBondContact OE2-NH1 3.02Å; E190-R194 IonicContact OE2-NH2 3.35Å; E190-R194 PolarHBondContact OE2-NH2 3.15Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.45Å; R194-C198 WeakPolarHBondContact O-CB 3.38Å; R194-C198 PolarHBondContact O-N 2.93Å
195	M	94.4	Very high	93.8	Very high	20 Å²	20	64.7 Å²	64.7	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-70.5	-40.5	-179.6	-174.4	-91	-69.9	0	0	111.4	V24 L147 L150 V151 M154 A191 A192 N193 C198 R199	V24-M195 HydrophobicContact CG1-SD 3.97Å; L147-M195 HydrophobicContact CD1-CG 4.03Å; L147-M195 WeakPolarHBondContact CD1-O 3.46Å; L147-M195 HydrophobicContact CD1-SD 4.29Å; L150-M195 HydrophobicContact CB-CB 4.03Å; L150-M195 HydrophobicContact CB-CG 4.09Å; V151-M195 HydrophobicContact CG2-CG 3.72Å; V151-M195 HydrophobicContact CG2-SD 3.93Å; M154-M195 HydrophobicContact CE-CE 4.5Å; M154-M195 HydrophobicContact SD-CE 3.56Å; M154-M195 VanDerWaalsContact SD-CE 3.56Å; A191-M195 WeakPolarHBondContact O-CB 3.29Å; A191-M195 PolarHBondContact O-N 3.28Å; A192-M195 WeakPolarHBondContact O-CA 3.34Å; A192-M195 WeakPolarHBondContact O-CB 3.3Å; A192-M195 PolarHBondContact O-N 3.14Å; N193-M195 VanDerWaalsContact C-N 3.33Å; N193-M195 PolarHBondContact O-N 3.23Å; M195-C198 PolarHBondContact O-N 2.98Å; M195-R199 WeakPolarHBondContact O-CB 3.36Å; M195-R199 PolarHBondContact O-N 3.28Å
196	E	93.5	Very high	94.2	Very high	83 Å²	83	60.2 Å²	60.2	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-49.5	175.4	-178.6	138.7	-110.6	0	0	112.2	A192 N193 C198 R199 D200	A192-E196 WeakPolarHBondContact O-CB 3.35Å; A192-E196 PolarHBondContact O-N 3.42Å; N193-E196 PolarHBondContact O-N 3.04Å; E196-C198 VanDerWaalsContact C-N 3.25Å; E196-C198 PolarHBondContact O-N 2.9Å; E196-R199 WeakPolarHBondContact O-CA 3.31Å; E196-R199 WeakPolarHBondContact O-CB 3.33Å; E196-R199 PolarHBondContact O-N 2.97Å; E196-R199 IonicContact OE1-CZ 3.36Å; E196-R199 IonicContact OE1-NH1 3.58Å; E196-R199 PolarHBondContact OE1-NH1 3.27Å; E196-R199 IonicContact OE1-NH2 3.63Å; E196-R199 PolarHBondContact OE1-NH2 2.96Å; E196-D200 PolarHBondContact O-N 3.23Å
197	I	95.4	Very high	94.5	Very high	124 Å²	124	59.2 Å²	59.2	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-56.8	-40.7	175.4	-67.1	163.9	0	0	0	111.3	N193 Q201	N193-I197 WeakPolarHBondContact O-CD1 3.45Å; N193-I197 VanDerWaalsContact O-CG1 3.27Å; N193-I197 WeakPolarHBondContact O-CG1 3.3Å; N193-I197 PolarHBondContact O-N 3.4Å; I197-Q201 WeakPolarHBondContact O-CB 3.36Å; I197-Q201 PolarHBondContact O-N 3.14Å; I197-Q201 VanDerWaalsContact O-N 3.08Å
198	C	95	Very high	94.7	Very high	15 Å²	15	61 Å²	61	10%	0.101	30%	0.302	C	S	.	.	H	α-helix	trans	-71.8	-29.8	177.1	-170.4	0	0	0	0	113.3	L147 L150 R194 M195 E196 L202	L147-C198 HydrophobicContact CD1-CB 4.16Å; L150-C198 HydrophobicContact CD1-CB 3.44Å; L150-C198 VanDerWaalsContact CD1-CB 3.44Å; R194-C198 WeakPolarHBondContact O-CB 3.38Å; R194-C198 PolarHBondContact O-N 2.93Å; M195-C198 PolarHBondContact O-N 2.98Å; E196-C198 VanDerWaalsContact C-N 3.25Å; E196-C198 PolarHBondContact O-N 2.9Å; C198-L202 VanDerWaalsContact O-CB 3.27Å; C198-L202 WeakPolarHBondContact O-CB 3.44Å; C198-L202 PolarHBondContact O-N 3.08Å
199	R	94.5	Very high	95	Very high	67 Å²	67	59.8 Å²	59.8	25%	0.253	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-45.3	173.7	-179	-161.8	70.2	-148	-3.4	110.2	V24 L25 L147 M195 E196 L202 S203	V24-R199 HydrophobicContact CG1-CG 4.26Å; V24-R199 VanDerWaalsContact O-CD 3.24Å; V24-R199 WeakPolarHBondContact O-CD 3.43Å; V24-R199 VanDerWaalsContact O-CG 3.31Å; V24-R199 WeakPolarHBondContact O-CG 3.42Å; L25-R199 HydrophobicContact CD2-CG 4.38Å; L147-R199 HydrophobicContact CD1-CB 4.04Å; L147-R199 HydrophobicContact CD2-CB 4.31Å; M195-R199 WeakPolarHBondContact O-CB 3.36Å; M195-R199 PolarHBondContact O-N 3.28Å; E196-R199 WeakPolarHBondContact O-CA 3.31Å; E196-R199 WeakPolarHBondContact O-CB 3.33Å; E196-R199 PolarHBondContact O-N 2.97Å; E196-R199 IonicContact OE1-CZ 3.36Å; E196-R199 IonicContact OE1-NH1 3.58Å; E196-R199 PolarHBondContact OE1-NH1 3.27Å; E196-R199 IonicContact OE1-NH2 3.63Å; E196-R199 PolarHBondContact OE1-NH2 2.96Å; R199-L202 PolarHBondContact O-N 2.75Å; R199-S203 WeakPolarHBondContact O-CB 3.48Å; R199-S203 PolarHBondContact O-N 3.2Å; R199-S203 PolarHBondContact O-OG 3.25Å
200	D	94.8	Very high	95.1	Very high	73 Å²	73	57 Å²	57	39%	0.39	29%	0.286	S	S	.	.	H	α-helix	trans	-75.9	-38	-172.5	-66.2	-11.9	0	0	0	111.7	E196 S203 A204	E196-D200 PolarHBondContact O-N 3.23Å; D200-S203 PolarHBondContact O-N 3.19Å; D200-A204 WeakPolarHBondContact O-CB 3.41Å; D200-A204 PolarHBondContact O-N 2.76Å
201	Q	96.1	Very high	95.2	Very high	105 Å²	105	56 Å²	56	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-46.6	169.4	-175.3	65.1	63.5	0	0	111.9	I197 S203 A204 D205	I197-Q201 WeakPolarHBondContact O-CB 3.36Å; I197-Q201 PolarHBondContact O-N 3.14Å; I197-Q201 VanDerWaalsContact O-N 3.08Å; Q201-S203 VanDerWaalsContact C-N 3.28Å; Q201-S203 PolarHBondContact O-N 3.09Å; Q201-A204 PolarHBondContact O-N 3.16Å; Q201-D205 PolarHBondContact NE2-OD1 3.3Å; Q201-D205 PolarHBondContact O-N 3.36Å
202	L	95.5	Very high	95.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-39.5	177.6	176	66.3	0	0	0	111.4	L25 I140 Q143 R144 L147 C198 R199 D205 M206	L25-L202 HydrophobicContact CD1-CD2 4.46Å; L25-L202 HydrophobicContact CD2-CD2 4.33Å; I140-L202 HydrophobicContact CG2-CD1 3.81Å; Q143-L202 HydrophobicContact CB-CD1 3.92Å; R144-L202 HydrophobicContact CB-CD1 4.22Å; R144-L202 HydrophobicContact CB-CD2 4.12Å; L147-L202 HydrophobicContact CB-CD2 4.42Å; L147-L202 HydrophobicContact CD2-CD2 3.53Å; C198-L202 VanDerWaalsContact O-CB 3.27Å; C198-L202 WeakPolarHBondContact O-CB 3.44Å; C198-L202 PolarHBondContact O-N 3.08Å; R199-L202 PolarHBondContact O-N 2.75Å; L202-D205 PolarHBondContact O-N 2.98Å; L202-M206 HydrophobicContact CD1-CG 4.17Å; L202-M206 HydrophobicContact CD1-SD 3.8Å; L202-M206 HydrophobicContact CD2-SD 4.29Å; L202-M206 HydrophobicContact CG-CG 4.45Å; L202-M206 HydrophobicContact CG-SD 3.73Å; L202-M206 WeakPolarHBondContact O-CB 3.19Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 2.65Å
203	S	95.3	Very high	95.5	Very high	14 Å²	14	61.1 Å²	61.1	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-45.1	176.8	-57.6	0	0	0	0	110.9	L29 R199 D200 Q201 M206 Y207	L29-S203 WeakPolarHBondContact CD1-OG 3.43Å; R199-S203 WeakPolarHBondContact O-CB 3.48Å; R199-S203 PolarHBondContact O-N 3.2Å; R199-S203 PolarHBondContact O-OG 3.25Å; D200-S203 PolarHBondContact O-N 3.19Å; Q201-S203 VanDerWaalsContact C-N 3.28Å; Q201-S203 PolarHBondContact O-N 3.09Å; S203-M206 PolarHBondContact O-N 2.85Å; S203-Y207 WeakPolarHBondContact O-CD2 3.29Å; S203-Y207 PolarHBondContact O-N 3.41Å
204	A	96.4	Very high	95.5	Very high	40 Å²	40	64 Å²	64	33%	0.331	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-47	174.8	0	0	0	0	0	112	D200 Q201 M206 Y207 N208	D200-A204 WeakPolarHBondContact O-CB 3.41Å; D200-A204 PolarHBondContact O-N 2.76Å; Q201-A204 PolarHBondContact O-N 3.16Å; A204-M206 VanDerWaalsContact C-N 3.31Å; A204-M206 PolarHBondContact O-N 3.19Å; A204-Y207 PolarHBondContact O-N 3.25Å; A204-N208 WeakPolarHBondContact O-CB 3.2Å; A204-N208 PolarHBondContact O-N 2.88Å; A204-N208 PolarHBondContact O-ND2 3.38Å; A204-N208 VanDerWaalsContact O-ND2 3.13Å
205	D	96.8	Very high	95.6	Very high	37 Å²	37	62.2 Å²	62.2	20%	0.198	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-37.4	177.5	-74.6	18.6	0	0	0	112.1	I140 Q143 Q201 L202 F209	I140-D205 HydrophobicContact CG1-CB 4.36Å; Q143-D205 PolarHBondContact NE2-OD2 3.01Å; Q143-D205 PolarHBondContact OE1-OD2 3.41Å; Q201-D205 PolarHBondContact NE2-OD1 3.3Å; Q201-D205 PolarHBondContact O-N 3.36Å; L202-D205 PolarHBondContact O-N 2.98Å; D205-F209 WeakPolarHBondContact O-CB 3.15Å; D205-F209 PolarHBondContact O-N 3.16Å
206	M	96.5	Very high	95.6	Very high	2 Å²	2	62 Å²	62	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-71.6	-37.7	176.3	-72.4	175	66	0	0	112.7	L29 V32 E33 L36 I140 L202 S203 A204 F209 V210	L29-M206 HydrophobicContact CB-CE 4.2Å; L29-M206 HydrophobicContact CD2-CB 3.87Å; L29-M206 HydrophobicContact CD2-CE 4.17Å; L29-M206 HydrophobicContact CD2-SD 4.49Å; L29-M206 WeakPolarHBondContact O-CE 3.47Å; V32-M206 HydrophobicContact CB-CE 3.91Å; V32-M206 HydrophobicContact CG1-CB 4.05Å; V32-M206 HydrophobicContact CG1-CE 3.88Å; V32-M206 HydrophobicContact CG1-CG 4.5Å; E33-M206 HydrophobicContact CB-CE 4Å; L36-M206 HydrophobicContact CD1-CE 4.3Å; L36-M206 HydrophobicContact CD1-CG 4.14Å; I140-M206 HydrophobicContact CG2-CG 3.68Å; I140-M206 HydrophobicContact CG2-SD 4.45Å; L202-M206 HydrophobicContact CD1-CG 4.17Å; L202-M206 HydrophobicContact CD1-SD 3.8Å; L202-M206 HydrophobicContact CD2-SD 4.29Å; L202-M206 HydrophobicContact CG-CG 4.45Å; L202-M206 HydrophobicContact CG-SD 3.73Å; L202-M206 WeakPolarHBondContact O-CB 3.19Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 2.65Å; S203-M206 PolarHBondContact O-N 2.85Å; A204-M206 VanDerWaalsContact C-N 3.31Å; A204-M206 PolarHBondContact O-N 3.19Å; M206-F209 PolarHBondContact O-N 3.02Å; M206-V210 WeakPolarHBondContact O-CG2 3.38Å; M206-V210 PolarHBondContact O-N 2.81Å
207	Y	96.1	Very high	95.7	Very high	118 Å²	118	60.7 Å²	60.7	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-69.2	-38.8	171.9	-68.8	-53.3	0	0	0	112	L29 S203 A204 F209 V210 A211	L29-Y207 HydrophobicContact CD2-CD1 4.44Å; L29-Y207 HydrophobicContact CD2-CE1 3.98Å; L29-Y207 HydrophobicContact CD2-CE2 4.14Å; S203-Y207 WeakPolarHBondContact O-CD2 3.29Å; S203-Y207 PolarHBondContact O-N 3.41Å; A204-Y207 PolarHBondContact O-N 3.25Å; Y207-F209 VanDerWaalsContact C-N 3.32Å; Y207-F209 PolarHBondContact O-N 3.48Å; Y207-V210 PolarHBondContact O-N 2.93Å; Y207-V210 VanDerWaalsContact O-N 3.14Å; Y207-A211 PolarHBondContact O-N 3.01Å
208	N	96.4	Very high	95.8	Very high	97 Å²	97	56.9 Å²	56.9	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-39.7	173.8	-73.1	-30.5	0	0	0	111.8	A204 V210 A211 K212	A204-N208 WeakPolarHBondContact O-CB 3.2Å; A204-N208 PolarHBondContact O-N 2.88Å; A204-N208 PolarHBondContact O-ND2 3.38Å; A204-N208 VanDerWaalsContact O-ND2 3.13Å; N208-V210 VanDerWaalsContact C-N 3.33Å; N208-V210 PolarHBondContact O-N 2.7Å; N208-A211 PolarHBondContact O-N 3.5Å; N208-K212 PolarHBondContact O-N 3.02Å; N208-K212 VanDerWaalsContact O-N 3.12Å
209	F	96.7	Very high	95.9	Very high	10 Å²	10	58.4 Å²	58.4	4%	0.044	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-39.2	172.7	169.7	-92.7	0	0	0	112.7	V32 L36 V39 L132 I137 I140 D205 M206 Y207 Y216	V32-F209 HydrophobicContact CG1-CD1 4.35Å; L36-F209 HydrophobicContact CD2-CB 4.4Å; L36-F209 HydrophobicContact CD2-CD1 3.56Å; L36-F209 HydrophobicContact CD2-CD2 3.54Å; L36-F209 HydrophobicContact CD2-CE1 3.6Å; L36-F209 HydrophobicContact CD2-CE2 3.59Å; L36-F209 HydrophobicContact CD2-CG 3.54Å; L36-F209 HydrophobicContact CD2-CZ 3.62Å; L36-F209 HydrophobicContact CG-CD1 3.97Å; L36-F209 HydrophobicContact CG-CE1 3.87Å; L36-F209 HydrophobicContact CG-CG 4.41Å; L36-F209 HydrophobicContact CG-CZ 4.24Å; V39-F209 HydrophobicContact CB-CZ 4.07Å; V39-F209 HydrophobicContact CG1-CE2 4.41Å; V39-F209 HydrophobicContact CG1-CZ 4.07Å; V39-F209 HydrophobicContact CG2-CZ 4.11Å; L132-F209 HydrophobicContact CD1-CE2 4.16Å; I137-F209 HydrophobicContact CD1-CE2 3.87Å; I137-F209 HydrophobicContact CD1-CZ 4.36Å; I137-F209 HydrophobicContact CG1-CD2 4.36Å; I137-F209 HydrophobicContact CG1-CE2 3.87Å; I140-F209 HydrophobicContact CD1-CB 3.95Å; I140-F209 HydrophobicContact CD1-CG 4.43Å; D205-F209 WeakPolarHBondContact O-CB 3.15Å; D205-F209 PolarHBondContact O-N 3.16Å; M206-F209 PolarHBondContact O-N 3.02Å; Y207-F209 VanDerWaalsContact C-N 3.32Å; Y207-F209 PolarHBondContact O-N 3.48Å; F209-Y216 AromaticContact CD2-CE2 3.64Å; F209-Y216 HydrophobicContact CD2-CE2 3.64Å; F209-Y216 HydrophobicContact CE2-CD2 4.31Å; F209-Y216 AromaticContact CE2-CE2 3.54Å; F209-Y216 HydrophobicContact CE2-CE2 3.54Å; F209-Y216 HydrophobicContact CG-CE2 4.4Å; F209-Y216 HydrophobicContact CZ-CE2 4.25Å; F209-Y216 WeakPolarHBondContact O-CE2 3.4Å
210	V	95.5	Very high	96	Very high	50 Å²	50	59 Å²	59	30%	0.303	32%	0.318	S	S	.	.	H	α-helix	trans	-71.2	-37.5	175.6	174.9	0	0	0	0	111.5	V32 M206 Y207 N208 K212 E213	V32-V210 HydrophobicContact CB-CG2 4.43Å; V32-V210 HydrophobicContact CG1-CG2 3.82Å; V32-V210 HydrophobicContact CG2-CG2 3.64Å; M206-V210 WeakPolarHBondContact O-CG2 3.38Å; M206-V210 PolarHBondContact O-N 2.81Å; Y207-V210 PolarHBondContact O-N 2.93Å; Y207-V210 VanDerWaalsContact O-N 3.14Å; N208-V210 VanDerWaalsContact C-N 3.33Å; N208-V210 PolarHBondContact O-N 2.7Å; V210-K212 VanDerWaalsContact C-N 3.29Å; V210-K212 PolarHBondContact O-N 3.46Å; V210-E213 WeakPolarHBondContact O-CB 3.49Å; V210-E213 PolarHBondContact O-N 2.99Å
211	A	96.2	Very high	96.1	Very high	77 Å²	77	61 Å²	61	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-37.3	176.5	0	0	0	0	0	112.4	Y207 N208 E213	Y207-A211 PolarHBondContact O-N 3.01Å; N208-A211 PolarHBondContact O-N 3.5Å; A211-E213 PolarHBondContact O-N 3.29Å
212	K	96.3	Very high	96.2	Very high	71 Å²	71	57.8 Å²	57.8	31%	0.309	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	2.3	173.7	-74.4	-178.1	168.9	-173.4	0	115.2	E136 N208 V210 I214 D215 Y216	E136-K212 IonicContact OE1-NZ 2.76Å; E136-K212 PolarHBondContact OE1-NZ 3.26Å; E136-K212 IonicContact OE2-NZ 2.59Å; E136-K212 PolarHBondContact OE2-NZ 3.46Å; N208-K212 PolarHBondContact O-N 3.02Å; N208-K212 VanDerWaalsContact O-N 3.12Å; V210-K212 VanDerWaalsContact C-N 3.29Å; V210-K212 PolarHBondContact O-N 3.46Å; K212-I214 PolarHBondContact O-N 3.08Å; K212-I214 VanDerWaalsContact O-N 3.16Å; K212-D215 WeakPolarHBondContact CA-OD2 3.18Å; K212-D215 WeakPolarHBondContact O-CB 3.44Å; K212-D215 PolarHBondContact O-N 3.2Å; K212-Y216 HydrophobicContact CB-CD2 4.3Å; K212-Y216 HydrophobicContact CB-CE1 3.99Å; K212-Y216 HydrophobicContact CB-CE2 3.67Å; K212-Y216 VanDerWaalsContact CB-CZ 3.5Å; K212-Y216 HydrophobicContact CD-CE1 3.99Å; K212-Y216 WeakPolarHBondContact CD-OH 3.41Å; K212-Y216 WeakPolarHBondContact O-CD2 3.49Å; K212-Y216 PolarHBondContact O-N 2.88Å
213	E	93.9	Very high	96.3	Very high	79 Å²	79	58.9 Å²	58.9	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-56.1	-36.2	-175.8	177.4	172.5	170.2	0	0	113.2	R35 V210 A211 A217	R35-E213 VanDerWaalsContact CZ-CD 3.48Å; R35-E213 IonicContact CZ-OE1 2.71Å; R35-E213 IonicContact CZ-OE2 3.7Å; R35-E213 VanDerWaalsContact CZ-OE2 3.28Å; R35-E213 IonicContact NH1-OE1 3.73Å; R35-E213 PolarHBondContact NH1-OE1 2.94Å; R35-E213 IonicContact NH1-OE2 3.13Å; R35-E213 PolarHBondContact NH1-OE2 3.24Å; R35-E213 IonicContact NH2-OE1 3.79Å; R35-E213 PolarHBondContact NH2-OE1 2.68Å; R35-E213 IonicContact NH2-OE2 2.76Å; R35-E213 PolarHBondContact NH2-OE2 3.32Å; V210-E213 WeakPolarHBondContact O-CB 3.49Å; V210-E213 PolarHBondContact O-N 2.99Å; A211-E213 PolarHBondContact O-N 3.29Å; E213-A217 WeakPolarHBondContact O-CB 3.4Å; E213-A217 PolarHBondContact O-N 2.8Å
214	I	96.1	Very high	96.4	Very high	139 Å²	139	63.2 Å²	63.2	71%	0.713	34%	0.34	S	S	*	.	H	α-helix	trans	-68.8	-40.7	177.1	-60.1	176.1	0	0	0	110.8	K212 Y216 A217 S218	K212-I214 PolarHBondContact O-N 3.08Å; K212-I214 VanDerWaalsContact O-N 3.16Å; I214-Y216 PolarHBondContact O-N 3.31Å; I214-A217 WeakPolarHBondContact O-CB 3.49Å; I214-A217 PolarHBondContact O-N 3.11Å; I214-S218 PolarHBondContact O-N 2.64Å
215	D	95.4	Very high	96.5	Very high	85 Å²	85	66 Å²	66	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-43.6	177.5	-52.9	-41.2	0	0	0	110.6	K212 A217 S218	K212-D215 WeakPolarHBondContact CA-OD2 3.18Å; K212-D215 WeakPolarHBondContact O-CB 3.44Å; K212-D215 PolarHBondContact O-N 3.2Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 3.11Å; D215-S218 WeakPolarHBondContact O-CB 3.3Å; D215-S218 PolarHBondContact O-N 3.21Å; D215-S218 VanDerWaalsContact O-N 3.15Å; D215-S218 PolarHBondContact O-OG 3.37Å
216	Y	95	Very high	96.6	Very high	17 Å²	17	65.6 Å²	65.6	7%	0.067	35%	0.345	C	S	.	.	H	α-helix	trans	-67.3	-31.5	176.2	-53.2	-35.6	0	0	0	113.1	L132 F209 K212 I214 S218 Y219 F220	L132-Y216 HydrophobicContact CD1-CD1 4.09Å; L132-Y216 HydrophobicContact CD1-CE1 3.52Å; L132-Y216 HydrophobicContact CD1-CE2 4.02Å; L132-Y216 VanDerWaalsContact CD1-CZ 3.47Å; L132-Y216 HydrophobicContact CD2-CD1 3.69Å; L132-Y216 HydrophobicContact CD2-CD2 4.33Å; L132-Y216 HydrophobicContact CD2-CE1 4.02Å; L132-Y216 HydrophobicContact CD2-CG 3.84Å; L132-Y216 HydrophobicContact CG-CD1 4.48Å; L132-Y216 HydrophobicContact CG-CE1 4.33Å; F209-Y216 AromaticContact CD2-CE2 3.64Å; F209-Y216 HydrophobicContact CD2-CE2 3.64Å; F209-Y216 HydrophobicContact CE2-CD2 4.31Å; F209-Y216 AromaticContact CE2-CE2 3.54Å; F209-Y216 HydrophobicContact CE2-CE2 3.54Å; F209-Y216 HydrophobicContact CG-CE2 4.4Å; F209-Y216 HydrophobicContact CZ-CE2 4.25Å; F209-Y216 WeakPolarHBondContact O-CE2 3.4Å; K212-Y216 HydrophobicContact CB-CD2 4.3Å; K212-Y216 HydrophobicContact CB-CE1 3.99Å; K212-Y216 HydrophobicContact CB-CE2 3.67Å; K212-Y216 VanDerWaalsContact CB-CZ 3.5Å; K212-Y216 HydrophobicContact CD-CE1 3.99Å; K212-Y216 WeakPolarHBondContact CD-OH 3.41Å; K212-Y216 WeakPolarHBondContact O-CD2 3.49Å; K212-Y216 PolarHBondContact O-N 2.88Å; I214-Y216 PolarHBondContact O-N 3.31Å; Y216-S218 VanDerWaalsContact C-N 3.34Å; Y216-Y219 AromaticContact CD1-CE2 3.89Å; Y216-Y219 HydrophobicContact CD1-CE2 3.89Å; Y216-F220 WeakPolarHBondContact O-CD2 3.26Å
217	A	95.8	Very high	96.6	Very high	55 Å²	55	68.6 Å²	68.6	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-34.1	172.5	0	0	0	0	0	111.7	E213 I214 D215 Y219 F220 Q221	E213-A217 WeakPolarHBondContact O-CB 3.4Å; E213-A217 PolarHBondContact O-N 2.8Å; I214-A217 WeakPolarHBondContact O-CB 3.49Å; I214-A217 PolarHBondContact O-N 3.11Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 3.11Å; A217-Y219 VanDerWaalsContact C-N 3.28Å; A217-Y219 PolarHBondContact O-N 2.83Å; A217-F220 PolarHBondContact O-N 2.91Å; A217-Q221 PolarHBondContact O-N 2.72Å
218	S	97.4	Very high	96.7	Very high	43 Å²	43	65.7 Å²	65.7	30%	0.301	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-34.1	-179.8	80.9	0	0	0	0	113.2	I214 D215 Y216 F220 Q221 T222	I214-S218 PolarHBondContact O-N 2.64Å; D215-S218 WeakPolarHBondContact O-CB 3.3Å; D215-S218 PolarHBondContact O-N 3.21Å; D215-S218 VanDerWaalsContact O-N 3.15Å; D215-S218 PolarHBondContact O-OG 3.37Å; Y216-S218 VanDerWaalsContact C-N 3.34Å; S218-F220 PolarHBondContact O-N 3.13Å; S218-Q221 CarbonylContact O-C 3.01Å; S218-Q221 WeakPolarHBondContact O-CA 3.39Å; S218-Q221 WeakPolarHBondContact O-CB 3.4Å; S218-Q221 PolarHBondContact O-N 2.96Å; S218-T222 PolarHBondContact O-N 3.04Å; S218-T222 PolarHBondContact O-OG1 3Å
219	Y	97.1	Very high	96.8	Very high	47 Å²	47	64.9 Å²	64.9	18%	0.184	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-33.7	176.3	-50.6	-29.5	0	0	0	112.6	P128 L129 Y216 A217 L223	P128-Y219 HydrophobicContact CB-CD1 4.17Å; P128-Y219 HydrophobicContact CB-CD2 4.09Å; P128-Y219 HydrophobicContact CB-CE1 3.81Å; P128-Y219 HydrophobicContact CB-CE2 3.68Å; P128-Y219 HydrophobicContact CB-CG 4.33Å; P128-Y219 HydrophobicContact CG-CE1 4.37Å; L129-Y219 HydrophobicContact CD2-CD2 3.86Å; L129-Y219 HydrophobicContact CG-CD2 4.17Å; Y216-Y219 AromaticContact CD1-CE2 3.89Å; Y216-Y219 HydrophobicContact CD1-CE2 3.89Å; A217-Y219 VanDerWaalsContact C-N 3.28Å; A217-Y219 PolarHBondContact O-N 2.83Å; Y219-L223 WeakPolarHBondContact O-CB 3.44Å; Y219-L223 PolarHBondContact O-N 3.49Å; Y219-L223 VanDerWaalsContact O-N 3.12Å
220	F	96.9	Very high	96.8	Very high	80 Å²	80	66.3 Å²	66.3	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-78.5	-28.4	176.2	-61.6	-89.6	0	0	0	112.4	T46 L129 Y216 A217 S218 I224	T46-F220 HydrophobicContact CG2-CE1 4.03Å; L129-F220 HydrophobicContact CD2-CE2 4.18Å; L129-F220 HydrophobicContact CD2-CZ 4.13Å; Y216-F220 WeakPolarHBondContact O-CD2 3.26Å; A217-F220 PolarHBondContact O-N 2.91Å; S218-F220 PolarHBondContact O-N 3.13Å; F220-I224 WeakPolarHBondContact O-CG1 3.35Å
221	Q	97.4	Very high	96.9	Very high	114 Å²	114	69.6 Å²	69.6	53%	0.533	37%	0.37	S	S	.	.	H	α-helix	trans	-68.1	-51.8	170.3	175.3	179.8	-20.6	0	0	110.3	A217 S218 L223 I224 E225	A217-Q221 PolarHBondContact O-N 2.72Å; S218-Q221 CarbonylContact O-C 3.01Å; S218-Q221 WeakPolarHBondContact O-CA 3.39Å; S218-Q221 WeakPolarHBondContact O-CB 3.4Å; S218-Q221 PolarHBondContact O-N 2.96Å; Q221-L223 VanDerWaalsContact C-N 3.27Å; Q221-L223 PolarHBondContact O-N 3.04Å; Q221-I224 PolarHBondContact O-N 3.44Å; Q221-E225 HydrophobicContact CG-CG 4.25Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.49Å; Q221-E225 PolarHBondContact NE2-OE1 2.97Å; Q221-E225 WeakPolarHBondContact O-CG 3.24Å; Q221-E225 PolarHBondContact O-N 3.46Å
222	T	97.9	Very high	97.1	Very high	39 Å²	39	71.5 Å²	71.5	24%	0.239	36%	0.36	C	S	.	.	H	α-helix	trans	-57.5	-38.2	178.5	-57.8	0	0	0	0	112.2	D124 V125 S218 I224 E225 V226	D124-T222 HydrophobicContact CB-CG2 4.43Å; V125-T222 HydrophobicContact CG2-CG2 4.26Å; S218-T222 PolarHBondContact O-N 3.04Å; S218-T222 PolarHBondContact O-OG1 3Å; T222-I224 VanDerWaalsContact C-N 3.34Å; T222-I224 PolarHBondContact O-N 3.24Å; T222-E225 PolarHBondContact O-N 3.14Å; T222-V226 HydrophobicContact CG2-CG2 3.99Å; T222-V226 VanDerWaalsContact O-CB 3.29Å; T222-V226 WeakPolarHBondContact O-CB 3.38Å; T222-V226 VanDerWaalsContact O-CG2 3.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.39Å; T222-V226 PolarHBondContact O-N 3.5Å
223	L	97.3	Very high	97.1	Very high	22 Å²	22	70.7 Å²	70.7	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-53.5	-48.2	171.5	173.3	58.1	0	0	0	112.5	L50 I121 V125 Y219 Q221 Q227	L50-L223 HydrophobicContact CD1-CD1 3.86Å; L50-L223 HydrophobicContact CD2-CD1 3.96Å; L50-L223 HydrophobicContact CD2-CD2 4.27Å; I121-L223 HydrophobicContact CD1-CD1 3.72Å; V125-L223 HydrophobicContact CG1-CB 4.22Å; V125-L223 HydrophobicContact CG2-CB 4.2Å; Y219-L223 WeakPolarHBondContact O-CB 3.44Å; Y219-L223 PolarHBondContact O-N 3.49Å; Y219-L223 VanDerWaalsContact O-N 3.12Å; Q221-L223 VanDerWaalsContact C-N 3.27Å; Q221-L223 PolarHBondContact O-N 3.04Å; L223-Q227 HydrophobicContact CD1-CG 4.34Å; L223-Q227 WeakPolarHBondContact O-CB 3.4Å; L223-Q227 WeakPolarHBondContact O-CG 3.42Å; L223-Q227 PolarHBondContact O-N 2.9Å; L223-Q227 VanDerWaalsContact O-N 3.09Å
224	I	98.1	Very high	97.3	Very high	106 Å²	106	67.5 Å²	67.5	54%	0.544	34%	0.343	S	S	.	.	H	α-helix	trans	-73.5	-39.4	-178.1	-61.2	-61.1	0	0	0	111.3	F220 Q221 T222 Q227 A228	F220-I224 WeakPolarHBondContact O-CG1 3.35Å; Q221-I224 PolarHBondContact O-N 3.44Å; T222-I224 VanDerWaalsContact C-N 3.34Å; T222-I224 PolarHBondContact O-N 3.24Å; I224-Q227 PolarHBondContact O-N 3.31Å; I224-A228 VanDerWaalsContact O-CB 3.31Å; I224-A228 WeakPolarHBondContact O-CB 3.45Å; I224-A228 PolarHBondContact O-N 2.99Å
225	E	98.2	Very high	97.4	Very high	99 Å²	99	65.3 Å²	65.3	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-47.1	177.1	-70.1	171.3	160.4	0	0	111.8	Q221 T222 A228 E229	Q221-E225 HydrophobicContact CG-CG 4.25Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.49Å; Q221-E225 PolarHBondContact NE2-OE1 2.97Å; Q221-E225 WeakPolarHBondContact O-CG 3.24Å; Q221-E225 PolarHBondContact O-N 3.46Å; T222-E225 PolarHBondContact O-N 3.14Å; E225-A228 PolarHBondContact O-N 3.15Å; E225-E229 PolarHBondContact O-N 2.83Å
226	V	97.7	Very high	97.5	Very high	28 Å²	28	66.3 Å²	66.3	17%	0.17	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-36	179	172.6	0	0	0	0	111.5	F117 T120 I121 T222 Y230	F117-V226 HydrophobicContact CD2-CG1 3.77Å; F117-V226 HydrophobicContact CE2-CG1 4.06Å; T120-V226 HydrophobicContact CG2-CG1 3.91Å; T120-V226 HydrophobicContact CG2-CG2 3.79Å; I121-V226 HydrophobicContact CD1-CB 3.8Å; I121-V226 HydrophobicContact CD1-CG1 3.59Å; I121-V226 HydrophobicContact CG1-CG1 3.9Å; T222-V226 HydrophobicContact CG2-CG2 3.99Å; T222-V226 VanDerWaalsContact O-CB 3.29Å; T222-V226 WeakPolarHBondContact O-CB 3.38Å; T222-V226 VanDerWaalsContact O-CG2 3.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.39Å; T222-V226 PolarHBondContact O-N 3.5Å; V226-Y230 WeakPolarHBondContact O-CB 3.31Å; V226-Y230 PolarHBondContact O-N 3.26Å; V226-Y230 VanDerWaalsContact O-N 3.13Å
227	Q	97.5	Very high	97.6	Very high	64 Å²	64	67.6 Å²	67.6	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-45.4	170.5	-79.6	178.5	-15.2	0	0	112.4	F117 L223 I224 H231	F117-Q227 HydrophobicContact CE2-CB 4.23Å; F117-Q227 HydrophobicContact CE2-CG 3.53Å; F117-Q227 HydrophobicContact CZ-CG 3.72Å; L223-Q227 HydrophobicContact CD1-CG 4.34Å; L223-Q227 WeakPolarHBondContact O-CB 3.4Å; L223-Q227 WeakPolarHBondContact O-CG 3.42Å; L223-Q227 PolarHBondContact O-N 2.9Å; L223-Q227 VanDerWaalsContact O-N 3.09Å; I224-Q227 PolarHBondContact O-N 3.31Å; Q227-H231 PolarHBondContact O-CD2 3Å; Q227-H231 PolarHBondContact O-N 3.33Å; Q227-H231 VanDerWaalsContact O-N 3.12Å
228	A	98.1	Very high	97.7	Very high	58 Å²	58	68.3 Å²	68.3	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-45.1	179.8	0	0	0	0	0	111.7	I224 E225 H231 R232	I224-A228 VanDerWaalsContact O-CB 3.31Å; I224-A228 WeakPolarHBondContact O-CB 3.45Å; I224-A228 PolarHBondContact O-N 2.99Å; E225-A228 PolarHBondContact O-N 3.15Å; A228-H231 PolarHBondContact O-N 2.87Å; A228-R232 VanDerWaalsContact O-CB 3.31Å; A228-R232 WeakPolarHBondContact O-CB 3.16Å; A228-R232 PolarHBondContact O-N 3.38Å
229	E	97.8	Very high	97.7	Very high	79 Å²	79	72.1 Å²	72.1	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-43.2	179.3	178.1	57.2	-164.6	0	0	112.3	E225 H231 R232 K233	E225-E229 PolarHBondContact O-N 2.83Å; E229-H231 PolarHBondContact O-N 3.15Å; E229-R232 PolarHBondContact O-N 3.04Å; E229-R232 IonicContact OE1-CZ 3.35Å; E229-R232 IonicContact OE1-NE 3.78Å; E229-R232 IonicContact OE1-NH2 3.01Å; E229-R232 PolarHBondContact OE1-NH2 2.98Å; E229-R232 IonicContact OE2-CZ 3.84Å; E229-R232 IonicContact OE2-NE 2.77Å; E229-R232 PolarHBondContact OE2-NE 3.42Å; E229-R232 IonicContact OE2-NH2 2.73Å; E229-R232 PolarHBondContact OE2-NH2 2.91Å; E229-K233 WeakPolarHBondContact O-CG 3.47Å; E229-K233 PolarHBondContact O-N 3.3Å; E229-K233 WeakPolarHBondContact OE1-CE 3.35Å; E229-K233 WeakPolarHBondContact OE1-CG 3.42Å
230	Y	97.6	Very high	97.6	Very high	40 Å²	40	72.8 Å²	72.8	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-57	-48	174.1	164.4	-112	0	0	0	112.2	E113 L114 F117 V226 S234	E113-Y230 HydrophobicContact CB-CD2 4.31Å; E113-Y230 HydrophobicContact CB-CE2 4.39Å; L114-Y230 HydrophobicContact CB-CE2 3.86Å; L114-Y230 HydrophobicContact CD1-CE1 4.39Å; L114-Y230 HydrophobicContact CD1-CE2 4.22Å; F117-Y230 HydrophobicContact CB-CD1 4.46Å; F117-Y230 HydrophobicContact CB-CD2 3.75Å; F117-Y230 HydrophobicContact CB-CE2 4.46Å; F117-Y230 HydrophobicContact CB-CG 3.76Å; F117-Y230 HydrophobicContact CD1-CD1 4.4Å; F117-Y230 HydrophobicContact CD2-CD1 4.14Å; F117-Y230 AromaticContact CD2-CG 3.9Å; F117-Y230 HydrophobicContact CD2-CG 3.9Å; F117-Y230 HydrophobicContact CG-CD1 4.04Å; F117-Y230 HydrophobicContact CG-CD2 4.23Å; F117-Y230 AromaticContact CG-CG 3.78Å; F117-Y230 HydrophobicContact CG-CG 3.78Å; V226-Y230 WeakPolarHBondContact O-CB 3.31Å; V226-Y230 PolarHBondContact O-N 3.26Å; V226-Y230 VanDerWaalsContact O-N 3.13Å; Y230-S234 WeakPolarHBondContact CE2-OG 3.32Å; Y230-S234 VanDerWaalsContact O-CB 3.31Å; Y230-S234 WeakPolarHBondContact O-CB 3.46Å; Y230-S234 PolarHBondContact O-N 2.83Å; Y230-S234 PolarHBondContact O-OG 3.18Å
231	H	98.2	Very high	97.5	Very high	120 Å²	120	69.5 Å²	69.5	56%	0.556	35%	0.349	S	S	*	.	H	α-helix	trans	-67.7	-37	178.3	-74.2	-55.5	0	0	0	112.6	Q227 A228 E229 S234 L235	Q227-H231 PolarHBondContact O-CD2 3Å; Q227-H231 PolarHBondContact O-N 3.33Å; Q227-H231 VanDerWaalsContact O-N 3.12Å; A228-H231 PolarHBondContact O-N 2.87Å; E229-H231 PolarHBondContact O-N 3.15Å; H231-S234 PolarHBondContact O-N 2.6Å; H231-L235 WeakPolarHBondContact O-CB 3.16Å; H231-L235 PolarHBondContact O-N 3.23Å
232	R	98.4	Very high	97.3	Very high	116 Å²	116	68.9 Å²	68.9	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-52.7	176.3	-170.2	-161.7	66.4	66.1	4.7	111.3	A228 E229 L235 E236	A228-R232 VanDerWaalsContact O-CB 3.31Å; A228-R232 WeakPolarHBondContact O-CB 3.16Å; A228-R232 PolarHBondContact O-N 3.38Å; E229-R232 PolarHBondContact O-N 3.04Å; E229-R232 IonicContact OE1-CZ 3.35Å; E229-R232 IonicContact OE1-NE 3.78Å; E229-R232 IonicContact OE1-NH2 3.01Å; E229-R232 PolarHBondContact OE1-NH2 2.98Å; E229-R232 IonicContact OE2-CZ 3.84Å; E229-R232 IonicContact OE2-NE 2.77Å; E229-R232 PolarHBondContact OE2-NE 3.42Å; E229-R232 IonicContact OE2-NH2 2.73Å; E229-R232 PolarHBondContact OE2-NH2 2.91Å; R232-L235 PolarHBondContact O-N 2.98Å; R232-E236 IonicContact CZ-OE2 2.73Å; R232-E236 IonicContact NH1-OE2 2.67Å; R232-E236 PolarHBondContact NH1-OE2 3.24Å; R232-E236 IonicContact NH2-OE2 2.79Å; R232-E236 WeakPolarHBondContact O-CB 3.15Å; R232-E236 PolarHBondContact O-N 3.18Å
233	K	98.1	Very high	97.1	Very high	54 Å²	54	70.8 Å²	70.8	24%	0.235	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-41.6	177	-68.8	-177.2	178.4	-171.2	0	113	E113 E229 L235 E236 L237	E113-K233 HydrophobicContact CG-CD 4.23Å; E113-K233 WeakPolarHBondContact OE1-CD 3.4Å; E113-K233 IonicContact OE1-NZ 3.38Å; E113-K233 PolarHBondContact OE1-NZ 3.31Å; E113-K233 WeakPolarHBondContact OE2-CD 3.43Å; E113-K233 IonicContact OE2-NZ 3.05Å; E113-K233 PolarHBondContact OE2-NZ 3.28Å; E229-K233 WeakPolarHBondContact O-CG 3.47Å; E229-K233 PolarHBondContact O-N 3.3Å; E229-K233 WeakPolarHBondContact OE1-CE 3.35Å; E229-K233 WeakPolarHBondContact OE1-CG 3.42Å; K233-L235 VanDerWaalsContact C-N 3.28Å; K233-L235 PolarHBondContact O-N 3.41Å; K233-E236 WeakPolarHBondContact O-CB 3.37Å; K233-E236 PolarHBondContact O-N 3.43Å; K233-L237 WeakPolarHBondContact O-CG 3.44Å; K233-L237 PolarHBondContact O-N 3.34Å
234	S	98	Very high	96.8	Very high	12 Å²	12	74 Å²	74	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-61.2	-39.5	178.6	-62	0	0	0	0	111.6	Y230 H231 L238	Y230-S234 WeakPolarHBondContact CE2-OG 3.32Å; Y230-S234 VanDerWaalsContact O-CB 3.31Å; Y230-S234 WeakPolarHBondContact O-CB 3.46Å; Y230-S234 PolarHBondContact O-N 2.83Å; Y230-S234 PolarHBondContact O-OG 3.18Å; H231-S234 PolarHBondContact O-N 2.6Å; S234-L238 WeakPolarHBondContact O-CG 3.45Å; S234-L238 PolarHBondContact O-N 3.22Å
235	L	98.1	Very high	96.4	Very high	93 Å²	93	70.4 Å²	70.4	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-43.2	174.1	-179.7	61.3	0	0	0	112	H231 R232 K233 L237 L238 Q239	H231-L235 WeakPolarHBondContact O-CB 3.16Å; H231-L235 PolarHBondContact O-N 3.23Å; R232-L235 PolarHBondContact O-N 2.98Å; K233-L235 VanDerWaalsContact C-N 3.28Å; K233-L235 PolarHBondContact O-N 3.41Å; L235-L237 PolarHBondContact O-N 3.23Å; L235-L238 PolarHBondContact O-N 3.19Å; L235-Q239 HydrophobicContact CD1-CG 4.01Å; L235-Q239 HydrophobicContact CG-CG 4.24Å; L235-Q239 WeakPolarHBondContact O-CB 3.42Å; L235-Q239 VanDerWaalsContact O-CG 3.3Å; L235-Q239 WeakPolarHBondContact O-CG 3.49Å; L235-Q239 PolarHBondContact O-N 3.34Å
236	E	97.6	Very high	95.9	Very high	107 Å²	107	71.8 Å²	71.8	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-58.2	-45.7	177.4	-176.3	174.7	-169	0	0	111.8	R232 K233 Q239 S240	R232-E236 IonicContact CZ-OE2 2.73Å; R232-E236 IonicContact NH1-OE2 2.67Å; R232-E236 PolarHBondContact NH1-OE2 3.24Å; R232-E236 IonicContact NH2-OE2 2.79Å; R232-E236 WeakPolarHBondContact O-CB 3.15Å; R232-E236 PolarHBondContact O-N 3.18Å; K233-E236 WeakPolarHBondContact O-CB 3.37Å; K233-E236 PolarHBondContact O-N 3.43Å; E236-Q239 PolarHBondContact O-N 3.46Å; E236-S240 PolarHBondContact O-N 3.38Å
237	L	96.9	Very high	95.3	Very high	43 Å²	43	72.6 Å²	72.6	23%	0.225	37%	0.372	C	S	.	.	H	α-helix	trans	-57.2	-51.7	173.3	-74.5	170.1	0	0	0	111.7	K109 L110 E113 K233 L235 Q239 S240 V241	K109-L237 HydrophobicContact CB-CD1 4.06Å; K109-L237 HydrophobicContact CB-CD2 4.28Å; K109-L237 HydrophobicContact CD-CD2 4.39Å; L110-L237 HydrophobicContact CD2-CB 4.34Å; L110-L237 HydrophobicContact CD2-CD1 4.05Å; L110-L237 HydrophobicContact CG-CD1 4.49Å; E113-L237 HydrophobicContact CG-CD1 4.31Å; K233-L237 WeakPolarHBondContact O-CG 3.44Å; K233-L237 PolarHBondContact O-N 3.34Å; L235-L237 PolarHBondContact O-N 3.23Å; L237-Q239 PolarHBondContact O-N 3.02Å; L237-S240 PolarHBondContact O-N 3.46Å; L237-S240 PolarHBondContact O-OG 2.99Å; L237-V241 PolarHBondContact O-N 3.2Å
238	L	97.1	Very high	94.7	Very high	71 Å²	71	73.4 Å²	73.4	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-41.5	180	-72.5	168.9	0	0	0	112.4	T106 L110 S234 L235 S240 V241 L242	T106-L238 HydrophobicContact CG2-CD2 4.42Å; L110-L238 HydrophobicContact CD1-CD2 3.95Å; L110-L238 HydrophobicContact CD1-CG 4.24Å; S234-L238 WeakPolarHBondContact O-CG 3.45Å; S234-L238 PolarHBondContact O-N 3.22Å; L235-L238 PolarHBondContact O-N 3.19Å; L238-S240 VanDerWaalsContact C-N 3.31Å; L238-S240 PolarHBondContact O-N 3.35Å; L238-V241 PolarHBondContact O-N 2.89Å; L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 3.3Å; L238-L242 VanDerWaalsContact O-N 3.09Å
239	Q	96.9	Very high	93.9	Very high	122 Å²	122	75.2 Å²	75.2	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-33	176.9	-76	178.1	-17.7	0	0	112.5	L235 E236 L237 P243	L235-Q239 HydrophobicContact CD1-CG 4.01Å; L235-Q239 HydrophobicContact CG-CG 4.24Å; L235-Q239 WeakPolarHBondContact O-CB 3.42Å; L235-Q239 VanDerWaalsContact O-CG 3.3Å; L235-Q239 WeakPolarHBondContact O-CG 3.49Å; L235-Q239 PolarHBondContact O-N 3.34Å; E236-Q239 PolarHBondContact O-N 3.46Å; L237-Q239 PolarHBondContact O-N 3.02Å; Q239-P243 WeakPolarHBondContact O-CD 3.33Å
240	S	95.1	Very high	92.9	Very high	61 Å²	61	77.8 Å²	77.8	43%	0.427	39%	0.386	S	S	.	.	H	α-helix	trans	-71.1	-28.8	176.1	77.4	0	0	0	0	113.6	E236 L237 L238 Q244	E236-S240 PolarHBondContact O-N 3.38Å; L237-S240 PolarHBondContact O-N 3.46Å; L237-S240 PolarHBondContact O-OG 2.99Å; L238-S240 VanDerWaalsContact C-N 3.31Å; L238-S240 PolarHBondContact O-N 3.35Å; S240-Q244 PolarHBondContact O-NE2 2.95Å
241	V	95.3	Very high	91.7	Very high	12 Å²	12	80.8 Å²	80.8	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-95.4	-34.3	-171.7	170.9	0	0	0	0	113.1	L102 T106 L237 L238 P243 Q244 I245	L102-V241 HydrophobicContact CD1-CG1 4.03Å; L102-V241 HydrophobicContact CD2-CG1 4.27Å; L102-V241 HydrophobicContact CG-CG1 3.89Å; T106-V241 HydrophobicContact CG2-CB 4.39Å; T106-V241 HydrophobicContact CG2-CG1 4.43Å; T106-V241 HydrophobicContact CG2-CG2 4.1Å; T106-V241 WeakPolarHBondContact OG1-CG2 3.42Å; L237-V241 PolarHBondContact O-N 3.2Å; L238-V241 PolarHBondContact O-N 2.89Å; V241-P243 VanDerWaalsContact C-CD 3.49Å; V241-P243 VanDerWaalsContact C-N 3.34Å; V241-Q244 WeakPolarHBondContact O-CB 3.46Å; V241-Q244 PolarHBondContact O-N 2.95Å; V241-I245 HydrophobicContact CG1-CD1 3.83Å; V241-I245 HydrophobicContact CG1-CG1 4.08Å; V241-I245 PolarHBondContact O-N 3.17Å
242	L	93	Very high	90.6	Very high	101 Å²	101	77.8 Å²	77.8	53%	0.529	39%	0.392	S	S	.	.	H	α-helix	trans	-55.5	-37.9	179.3	-75.3	167.5	0	0	0	114.4	L238 K246	L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 3.3Å; L238-L242 VanDerWaalsContact O-N 3.09Å; L242-K246 PolarHBondContact O-N 3.24Å
243	P	93.3	Very high	88.7	Confident	78 Å²	78	76.9 Å²	76.9	51%	0.506	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-36.5	172.3	-22.8	34.7	0	0	0	113.4	Q239 V241 K246 A247	Q239-P243 WeakPolarHBondContact O-CD 3.33Å; V241-P243 VanDerWaalsContact C-CD 3.49Å; V241-P243 VanDerWaalsContact C-N 3.34Å; P243-K246 PolarHBondContact O-N 3.48Å; P243-A247 WeakPolarHBondContact O-CB 3.4Å; P243-A247 PolarHBondContact O-N 2.9Å
244	Q	91.8	Very high	86.9	Confident	90 Å²	90	80.2 Å²	80.2	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-69	-40.1	179.1	-61	174.8	59.5	0	0	111.2	L102 S240 V241 K246 A247 H248	L102-Q244 HydrophobicContact CD2-CB 3.93Å; S240-Q244 PolarHBondContact O-NE2 2.95Å; V241-Q244 WeakPolarHBondContact O-CB 3.46Å; V241-Q244 PolarHBondContact O-N 2.95Å; Q244-K246 VanDerWaalsContact C-N 3.35Å; Q244-K246 PolarHBondContact O-N 2.88Å; Q244-A247 PolarHBondContact O-N 3.16Å; Q244-H248 PolarHBondContact O-CD2 3Å; Q244-H248 VanDerWaalsContact O-CD2 3.24Å; Q244-H248 PolarHBondContact O-N 3.2Å
245	I	90.1	Very high	85.2	Confident	31 Å²	31	83.2 Å²	83.2	16%	0.159	43%	0.428	C	S	.	.	H	α-helix	trans	-56.7	-48.1	171.3	-73.4	175.1	0	0	0	110.7	M99 L102 V241 H248 Q249	M99-I245 HydrophobicContact SD-CB 4.31Å; M99-I245 HydrophobicContact SD-CG1 4.3Å; M99-I245 HydrophobicContact SD-CG2 3.83Å; L102-I245 HydrophobicContact CD2-CG1 3.7Å; L102-I245 HydrophobicContact CG-CG1 4.32Å; V241-I245 HydrophobicContact CG1-CD1 3.83Å; V241-I245 HydrophobicContact CG1-CG1 4.08Å; V241-I245 PolarHBondContact O-N 3.17Å; I245-H248 PolarHBondContact O-N 3.35Å; I245-Q249 WeakPolarHBondContact O-CG 3.42Å; I245-Q249 PolarHBondContact O-N 3.32Å; I245-Q249 VanDerWaalsContact O-N 3.14Å
246	K	87.4	Confident	84.2	Confident	128 Å²	128	82.1 Å²	82.1	56%	0.557	43%	0.426	S	S	*	.	H	α-helix	trans	-63.3	-49.6	177.6	-73.5	-175.3	175.1	-168.5	0	112.6	L242 P243 Q244 H248 Q249 E250	L242-K246 PolarHBondContact O-N 3.24Å; P243-K246 PolarHBondContact O-N 3.48Å; Q244-K246 VanDerWaalsContact C-N 3.35Å; Q244-K246 PolarHBondContact O-N 2.88Å; K246-H248 VanDerWaalsContact C-N 3.27Å; K246-H248 PolarHBondContact O-N 3.43Å; K246-Q249 CarbonylContact O-C 3.49Å; K246-Q249 WeakPolarHBondContact O-CA 3.15Å; K246-Q249 WeakPolarHBondContact O-CB 3.41Å; K246-Q249 PolarHBondContact O-N 3.11Å; K246-E250 WeakPolarHBondContact O-CB 3.48Å; K246-E250 WeakPolarHBondContact O-CG 3.14Å; K246-E250 PolarHBondContact O-N 2.99Å
247	A	85.9	Confident	83.6	Confident	45 Å²	45	77.6 Å²	77.6	37%	0.372	41%	0.406	S	S	.	.	H	α-helix	trans	-56.5	-41.2	179.7	0	0	0	0	0	111.9	P243 Q244 E250 T251	P243-A247 WeakPolarHBondContact O-CB 3.4Å; P243-A247 PolarHBondContact O-N 2.9Å; Q244-A247 PolarHBondContact O-N 3.16Å; A247-E250 PolarHBondContact O-N 3.27Å; A247-T251 VanDerWaalsContact O-CB 3.29Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 3.32Å; A247-T251 PolarHBondContact O-OG1 3.18Å
248	H	83.8	Confident	83.4	Confident	81 Å²	81	76.5 Å²	76.5	38%	0.375	40%	0.399	S	S	.	.	H	α-helix	trans	-68.8	-30.5	174.8	-73.9	-45	0	0	0	114.3	M99 Q244 I245 K246 W252	M99-H248 HydrophobicContact CE-CB 3.44Å; M99-H248 VanDerWaalsContact CE-CB 3.44Å; Q244-H248 PolarHBondContact O-CD2 3Å; Q244-H248 VanDerWaalsContact O-CD2 3.24Å; Q244-H248 PolarHBondContact O-N 3.2Å; I245-H248 PolarHBondContact O-N 3.35Å; K246-H248 VanDerWaalsContact C-N 3.27Å; K246-H248 PolarHBondContact O-N 3.43Å; H248-W252 PolarHBondContact O-N 2.89Å
249	Q	81.9	Confident	83.1	Confident	96 Å²	96	75.3 Å²	75.3	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-74.2	-38.7	173.4	-71.1	172.2	1.7	0	0	112.1	L95 M99 I245 K246 W252	L95-Q249 HydrophobicContact CD1-CG 4.43Å; L95-Q249 HydrophobicContact CD2-CG 4.49Å; M99-Q249 HydrophobicContact SD-CG 4.25Å; I245-Q249 WeakPolarHBondContact O-CG 3.42Å; I245-Q249 PolarHBondContact O-N 3.32Å; I245-Q249 VanDerWaalsContact O-N 3.14Å; K246-Q249 CarbonylContact O-C 3.49Å; K246-Q249 WeakPolarHBondContact O-CA 3.15Å; K246-Q249 WeakPolarHBondContact O-CB 3.41Å; K246-Q249 PolarHBondContact O-N 3.11Å; Q249-W252 PolarHBondContact O-N 3.09Å
250	E	76.5	Confident	82.8	Confident	132 Å²	132	72.5 Å²	72.5	62%	0.617	39%	0.39	S	S	*	.	H	α-helix	trans	-70.4	-33.4	177.3	-71.4	163.3	-167.3	0	0	111.6	K246 A247 W252	K246-E250 WeakPolarHBondContact O-CB 3.48Å; K246-E250 WeakPolarHBondContact O-CG 3.14Å; K246-E250 PolarHBondContact O-N 2.99Å; A247-E250 PolarHBondContact O-N 3.27Å; E250-W252 VanDerWaalsContact C-N 3.29Å; E250-W252 PolarHBondContact O-N 3.34Å
251	T	73.3	Confident	82.7	Confident	103 Å²	103	72.2 Å²	72.2	63%	0.632	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.3	174.5	-46.7	0	0	0	0	112.9	A247 V253	A247-T251 VanDerWaalsContact O-CB 3.29Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 3.32Å; A247-T251 PolarHBondContact O-OG1 3.18Å; T251-V253 PolarHBondContact O-N 2.77Å
252	W	73.8	Confident	82.7	Confident	57 Å²	57	72 Å²	72	22%	0.216	39%	0.385	C	S	.	.			trans	-82.2	108.5	179.6	-152.7	-104	0	0	0	111.5	E93 L95 K98 H248 Q249 E250 E254	E93-W252 VanDerWaalsContact O-CH2 3.22Å; E93-W252 WeakPolarHBondContact O-CH2 3.49Å; E93-W252 WeakPolarHBondContact O-CZ2 3.3Å; L95-W252 HydrophobicContact CB-CD2 3.74Å; L95-W252 HydrophobicContact CB-CE3 4.29Å; L95-W252 HydrophobicContact CB-CG 3.89Å; L95-W252 HydrophobicContact CB-CZ2 4.45Å; L95-W252 HydrophobicContact CD1-CB 4.31Å; L95-W252 HydrophobicContact CD1-CD2 4.41Å; L95-W252 HydrophobicContact CD1-CE3 4.47Å; L95-W252 HydrophobicContact CD1-CG 4.34Å; L95-W252 HydrophobicContact CD2-CB 3.95Å; L95-W252 HydrophobicContact CD2-CG 3.87Å; L95-W252 HydrophobicContact CG-CD2 4.44Å; L95-W252 HydrophobicContact CG-CG 4.24Å; K98-W252 HydrophobicContact CD-CZ3 4.35Å; H248-W252 PolarHBondContact O-N 2.89Å; Q249-W252 PolarHBondContact O-N 3.09Å; E250-W252 VanDerWaalsContact C-N 3.29Å; E250-W252 PolarHBondContact O-N 3.34Å; W252-E254 PolarHBondContact NE1-OE2 2.59Å; W252-E254 PolarHBondContact O-N 3.44Å
253	V	59	Low	82.6	Confident	98 Å²	98	71.2 Å²	71.2	59%	0.594	38%	0.379	S	S	*	.			trans	-69.3	-30.5	-168.9	-174.1	0	0	0	0	112.8	T251 K255	T251-V253 PolarHBondContact O-N 2.77Å; V253-K255 PolarHBondContact O-N 3.19Å
254	E	59.6	Low	82.5	Confident	124 Å²	124	70.4 Å²	70.4	58%	0.579	37%	0.368	S	S	*	.			trans	-78	89	-177.8	-65.5	172.4	168.9	0	0	111.6	W252	W252-E254 PolarHBondContact NE1-OE2 2.59Å; W252-E254 PolarHBondContact O-N 3.44Å
255	K	63.9	Low	82.2	Confident	74 Å²	74	66.6 Å²	66.6	32%	0.322	35%	0.35	S	S	.	.			trans	-113.8	147	163.1	-63.5	-162.6	-163.1	169.9	0	110.9	V253 E264 L268	V253-K255 PolarHBondContact O-N 3.19Å; K255-E264 IonicContact NZ-OE1 3.35Å; K255-E264 PolarHBondContact NZ-OE1 2.9Å; K255-E264 VanDerWaalsContact NZ-OE1 3.11Å; K255-L268 HydrophobicContact CD-CD1 3.65Å; K255-L268 VanDerWaalsContact CE-CD1 3.46Å; K255-L268 HydrophobicContact CG-CD1 4.47Å
256	P	77.1	Confident	82.2	Confident	70 Å²	70	65.7 Å²	65.7	46%	0.455	35%	0.346	S	S	.	.			trans	-52.3	138.8	168.2	-27.1	35.9	0	0	0	112.3	K260 D312	P256-K260 VanDerWaalsContact O-CG 3.3Å; P256-K260 WeakPolarHBondContact O-CG 3.44Å; P256-D312 WeakPolarHBondContact CA-O 3.43Å; P256-D312 VanDerWaalsContact CA-OD1 3.29Å; P256-D312 WeakPolarHBondContact CA-OD1 3.49Å; P256-D312 HydrophobicContact CB-CB 4.22Å; P256-D312 WeakPolarHBondContact CB-OD1 3.39Å
257	C	84.3	Confident	82.1	Confident	13 Å²	13	63.6 Å²	63.6	9%	0.088	35%	0.353	C	S	.	.			trans	-93.9	-29.3	176.6	-63	0	0	0	0	111.8	P276 D312 Y335	C257-P276 HydrophobicContact CB-CG 3.53Å; C257-D312 PolarHBondContact N-OD1 2.96Å; C257-Y335 HydrophobicContact CB-CE2 4.22Å
258	Y	91.7	Very high	81.8	Confident	19 Å²	19	64.3 Å²	64.3	8%	0.075	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	138.7	178.7	-69.2	-106.5	0	0	0	110.3	K260 P276 K308 L311 D312 A331 Y335	Y258-K260 VanDerWaalsContact C-N 3.29Å; Y258-K260 PolarHBondContact O-N 3.12Å; Y258-P276 HydrophobicContact CE2-CB 4.3Å; Y258-P276 HydrophobicContact CE2-CG 4.21Å; Y258-K308 HydrophobicContact CD1-CD 4.39Å; Y258-K308 HydrophobicContact CD1-CG 4.49Å; Y258-K308 HydrophobicContact CE1-CB 4.47Å; Y258-K308 HydrophobicContact CE1-CD 3.99Å; Y258-K308 VanDerWaalsContact CE1-CE 3.41Å; Y258-K308 HydrophobicContact CE1-CG 3.78Å; Y258-K308 HydrophobicContact CE2-CB 4.44Å; Y258-K308 HydrophobicContact CE2-CG 4.49Å; Y258-L311 HydrophobicContact CE2-CB 4Å; Y258-L311 HydrophobicContact CE2-CD1 4.4Å; Y258-L311 WeakPolarHBondContact OH-CD1 3.45Å; Y258-D312 VanDerWaalsContact CD2-OD1 3.3Å; Y258-D312 WeakPolarHBondContact CD2-OD1 3.38Å; Y258-D312 PolarHBondContact N-OD1 2.88Å; Y258-A331 PolarHBondContact OH-O 3.15Å; Y258-A331 VanDerWaalsContact OH-O 3.13Å; Y258-Y335 HydrophobicContact CD1-CD2 4.43Å; Y258-Y335 HydrophobicContact CD2-CD2 4.49Å; Y258-Y335 VanDerWaalsContact CE1-CB 3.49Å; Y258-Y335 VanDerWaalsContact CE1-N 3.29Å; Y258-Y335 HydrophobicContact CG-CD2 4.44Å
259	G	91.4	Very high	81.5	Confident	46 Å²	46	62.7 Å²	62.7	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	11.5	-176.7	0	0	0	0	0	114.9	E338	G259-E338 WeakPolarHBondContact CA-O 3.46Å; G259-E338 PolarHBondContact N-O 2.94Å; G259-E338 VanDerWaalsContact N-O 3.08Å
260	K	90.9	Very high	81.6	Confident	63 Å²	63	61.6 Å²	61.6	27%	0.274	36%	0.362	S	S	.	.	S	Bend	trans	-116.1	148.7	-179	-73.1	-49.9	-154.5	113.9	0	113.2	P256 Y258 E264 P340	P256-K260 VanDerWaalsContact O-CG 3.3Å; P256-K260 WeakPolarHBondContact O-CG 3.44Å; Y258-K260 VanDerWaalsContact C-N 3.29Å; Y258-K260 PolarHBondContact O-N 3.12Å; K260-E264 IonicContact NZ-OE1 3.17Å; K260-E264 PolarHBondContact NZ-OE1 3.14Å; K260-E264 IonicContact NZ-OE2 3.72Å; K260-E264 PolarHBondContact NZ-OE2 3.31Å; K260-P340 WeakPolarHBondContact O-CD 3.41Å
261	P	93.6	Very high	82.2	Confident	56 Å²	56	57.6 Å²	57.6	36%	0.364	34%	0.341	S	S	.	.			trans	-57.1	140.9	169.6	-20.5	32.8	0	0	0	110.3	E263 E264 H265 P340	P261-E263 VanDerWaalsContact C-N 3.29Å; P261-E263 PolarHBondContact O-N 3.39Å; P261-E264 HydrophobicContact CB-CB 4.29Å; P261-E264 HydrophobicContact CG-CB 4.49Å; P261-E264 PolarHBondContact O-N 3.34Å; P261-H265 PolarHBondContact O-CD2 3.48Å; P261-H265 VanDerWaalsContact O-CD2 3.3Å; P261-P340 HydrophobicContact CG-CG 4.32Å
262	L	94.3	Very high	83.1	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-56.3	-47.3	-178.2	177.2	63.8	0	0	0	110.5	E264 H265 L266 A274 Y335 L339 L343 A378	L262-E264 VanDerWaalsContact C-N 3.31Å; L262-E264 PolarHBondContact O-N 3.35Å; L262-H265 WeakPolarHBondContact CA-NE2 3.45Å; L262-H265 VanDerWaalsContact CD1-CE1 3.46Å; L262-H265 WeakPolarHBondContact CD1-CE1 3.33Å; L262-H265 PolarHBondContact O-N 3.39Å; L262-L266 HydrophobicContact CD1-CD1 3.78Å; L262-L266 HydrophobicContact CD1-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CG 4.02Å; L262-L266 HydrophobicContact CD2-CD1 4.47Å; L262-L266 HydrophobicContact CG-CD1 3.73Å; L262-L266 HydrophobicContact CG-CG 4.31Å; L262-L266 WeakPolarHBondContact O-CB 3.42Å; L262-L266 VanDerWaalsContact O-CG 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 3.22Å; L262-A274 HydrophobicContact CD1-CB 4.02Å; L262-Y335 WeakPolarHBondContact CD1-OH 3.44Å; L262-L339 HydrophobicContact CB-CD2 4.48Å; L262-L343 HydrophobicContact CD2-CD1 3.82Å; L262-A378 HydrophobicContact CD2-CB 4.18Å; L262-A378 HydrophobicContact CG-CB 4.42Å
263	E	92.2	Very high	84	Confident	84 Å²	84	56.2 Å²	56.2	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-31.3	-176.6	-63.9	59.5	-126.2	0	0	112.1	P261 A267 A378 N379	P261-E263 VanDerWaalsContact C-N 3.29Å; P261-E263 PolarHBondContact O-N 3.39Å; E263-A267 WeakPolarHBondContact O-CB 3.31Å; E263-A267 PolarHBondContact O-N 3.14Å; E263-A267 VanDerWaalsContact O-N 3.13Å; E263-A378 HydrophobicContact CG-CB 4.23Å; E263-A378 VanDerWaalsContact OE1-CB 3.26Å; E263-A378 WeakPolarHBondContact OE1-CB 3.46Å; E263-N379 PolarHBondContact OE1-OD1 2.68Å
264	E	89.3	Confident	85.7	Confident	61 Å²	61	51.6 Å²	51.6	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-52.6	178.4	-166.7	-161.9	147.6	0	0	110	K255 K260 P261 L262 L268	K255-E264 IonicContact NZ-OE1 3.35Å; K255-E264 PolarHBondContact NZ-OE1 2.9Å; K255-E264 VanDerWaalsContact NZ-OE1 3.11Å; K260-E264 IonicContact NZ-OE1 3.17Å; K260-E264 PolarHBondContact NZ-OE1 3.14Å; K260-E264 IonicContact NZ-OE2 3.72Å; K260-E264 PolarHBondContact NZ-OE2 3.31Å; P261-E264 HydrophobicContact CB-CB 4.29Å; P261-E264 HydrophobicContact CG-CB 4.49Å; P261-E264 PolarHBondContact O-N 3.34Å; L262-E264 VanDerWaalsContact C-N 3.31Å; L262-E264 PolarHBondContact O-N 3.35Å; E264-L268 HydrophobicContact CG-CD1 3.92Å; E264-L268 WeakPolarHBondContact O-CB 3.42Å; E264-L268 WeakPolarHBondContact O-CD1 3.45Å; E264-L268 WeakPolarHBondContact O-CG 3.35Å; E264-L268 PolarHBondContact O-N 2.89Å
265	H	86.1	Confident	87.2	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.046	28%	0.283	C	S	.	.	H	α-helix	trans	-81.2	-27.8	-173.9	72.6	71.6	0	0	0	113.3	P261 L262 S269 A274 Y335	P261-H265 PolarHBondContact O-CD2 3.48Å; P261-H265 VanDerWaalsContact O-CD2 3.3Å; L262-H265 WeakPolarHBondContact CA-NE2 3.45Å; L262-H265 VanDerWaalsContact CD1-CE1 3.46Å; L262-H265 WeakPolarHBondContact CD1-CE1 3.33Å; L262-H265 PolarHBondContact O-N 3.39Å; H265-S269 WeakPolarHBondContact O-CB 3.37Å; H265-S269 PolarHBondContact O-N 3.43Å; H265-S269 PolarHBondContact O-OG 3.46Å; H265-A274 WeakPolarHBondContact CE1-CA 3.46Å; H265-A274 WeakPolarHBondContact CE1-CB 3.29Å; H265-Y335 AromaticContact CE1-CZ 3.87Å; H265-Y335 PolarHBondContact CE1-OH 2.79Å; H265-Y335 AromaticContact NE2-CE2 3.36Å; H265-Y335 WeakPolarHBondContact NE2-CE2 3.3Å; H265-Y335 AromaticContact NE2-CZ 3.12Å; H265-Y335 PolarHBondContact NE2-OH 3.07Å
266	L	89.7	Confident	88.7	Confident	12 Å²	12	43.1 Å²	43.1	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-49.3	169.4	-70.4	-178.2	0	0	0	111.2	L262 L268 S269 G270 R271 A274 A378	L262-L266 HydrophobicContact CD1-CD1 3.78Å; L262-L266 HydrophobicContact CD1-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CG 4.02Å; L262-L266 HydrophobicContact CD2-CD1 4.47Å; L262-L266 HydrophobicContact CG-CD1 3.73Å; L262-L266 HydrophobicContact CG-CG 4.31Å; L262-L266 WeakPolarHBondContact O-CB 3.42Å; L262-L266 VanDerWaalsContact O-CG 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 3.22Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-L268 PolarHBondContact O-N 3.37Å; L266-S269 PolarHBondContact O-N 3.02Å; L266-S269 PolarHBondContact O-OG 3.07Å; L266-G270 PolarHBondContact O-N 3.38Å; L266-R271 WeakPolarHBondContact CB-O 3.32Å; L266-R271 HydrophobicContact CD2-CB 4.24Å; L266-R271 WeakPolarHBondContact CD2-O 3.42Å; L266-R271 PolarHBondContact O-N 3.11Å; L266-A274 HydrophobicContact CD2-CB 4.23Å; L266-A378 HydrophobicContact CD1-CB 3.74Å
267	A	86.5	Confident	89.6	Confident	85 Å²	85	39.8 Å²	39.8	70%	0.702	25%	0.246	S	C	*	.	H	α-helix	trans	-63.8	-35.2	-179.8	0	0	0	0	0	113	E263	E263-A267 WeakPolarHBondContact O-CB 3.31Å; E263-A267 PolarHBondContact O-N 3.14Å; E263-A267 VanDerWaalsContact O-N 3.13Å
268	L	78.5	Confident	90	Very high	59 Å²	59	39.3 Å²	39.3	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-75.3	-30.8	177.7	-70.2	164	0	0	0	113.7	K255 E264 L266	K255-L268 HydrophobicContact CD-CD1 3.65Å; K255-L268 VanDerWaalsContact CE-CD1 3.46Å; K255-L268 HydrophobicContact CG-CD1 4.47Å; E264-L268 HydrophobicContact CG-CD1 3.92Å; E264-L268 WeakPolarHBondContact O-CB 3.42Å; E264-L268 WeakPolarHBondContact O-CD1 3.45Å; E264-L268 WeakPolarHBondContact O-CG 3.35Å; E264-L268 PolarHBondContact O-N 2.89Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-L268 PolarHBondContact O-N 3.37Å
269	S	79.1	Confident	90	Very high	47 Å²	47	38.4 Å²	38.4	33%	0.329	24%	0.239	S	C	.	.	H	α-helix	trans	-92.6	-10	179.1	60.4	0	0	0	0	113.7	H265 L266 R271	H265-S269 WeakPolarHBondContact O-CB 3.37Å; H265-S269 PolarHBondContact O-N 3.43Å; H265-S269 PolarHBondContact O-OG 3.46Å; L266-S269 PolarHBondContact O-N 3.02Å; L266-S269 PolarHBondContact O-OG 3.07Å; S269-R271 VanDerWaalsContact C-N 3.32Å; S269-R271 VanDerWaalsContact OG-CD 3.31Å; S269-R271 WeakPolarHBondContact OG-CD 3.45Å; S269-R271 WeakPolarHBondContact OG-CG 3.33Å
270	G	83.9	Confident	90.2	Very high	73 Å²	73	36.3 Å²	36.3	75%	0.753	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	29.6	-177.7	0	0	0	0	0	113.4	L266	L266-G270 PolarHBondContact O-N 3.38Å
271	R	88.1	Confident	90.5	Very high	48 Å²	48	33.3 Å²	33.3	18%	0.181	20%	0.204	C	C	.	.			trans	-110.6	146.2	-174.8	-57.1	173.5	75.9	100.4	5.8	111.4	L266 S269 I273 E278 T459	L266-R271 WeakPolarHBondContact CB-O 3.32Å; L266-R271 HydrophobicContact CD2-CB 4.24Å; L266-R271 WeakPolarHBondContact CD2-O 3.42Å; L266-R271 PolarHBondContact O-N 3.11Å; S269-R271 VanDerWaalsContact C-N 3.32Å; S269-R271 VanDerWaalsContact OG-CD 3.31Å; S269-R271 WeakPolarHBondContact OG-CD 3.45Å; S269-R271 WeakPolarHBondContact OG-CG 3.33Å; R271-I273 WeakPolarHBondContact CB-O 3.41Å; R271-I273 PolarHBondContact NE-O 3.33Å; R271-E278 IonicContact CZ-OE2 3.28Å; R271-E278 IonicContact NH2-OE1 3.61Å; R271-E278 IonicContact NH2-OE2 3.41Å; R271-E278 PolarHBondContact NH2-OE2 3.4Å; R271-T459 PolarHBondContact NH2-OG1 2.94Å
272	D	91.5	Very high	90.5	Very high	116 Å²	116	31 Å²	31	62%	0.62	19%	0.188	S	C	*	.	S	Bend	trans	-81.8	-35.2	164.7	-65.4	-64.2	0	0	0	112.2	N382	D272-N382 PolarHBondContact O-ND2 3.32Å
273	I	94.3	Very high	90.4	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.082	19%	0.187	C	C	.	.	S	Bend	trans	-106.9	131.3	179.9	-50.5	-58	0	0	0	110.7	R271 F275 I277 E278 N381 N382 Y385	R271-I273 WeakPolarHBondContact CB-O 3.41Å; R271-I273 PolarHBondContact NE-O 3.33Å; I273-F275 PolarHBondContact O-N 3.34Å; I273-I277 HydrophobicContact CG2-CB 4.41Å; I273-I277 HydrophobicContact CG2-CG2 4.29Å; I273-E278 HydrophobicContact CG2-CB 3.93Å; I273-N381 HydrophobicContact CD1-CB 4.22Å; I273-N382 WeakPolarHBondContact CA-OD1 3.42Å; I273-Y385 HydrophobicContact CD1-CD2 4.03Å; I273-Y385 HydrophobicContact CD1-CG 4.03Å; I273-Y385 HydrophobicContact CG1-CD2 4Å; I273-Y385 HydrophobicContact CG1-CE2 4.41Å; I273-Y385 HydrophobicContact CG1-CG 4.33Å; I273-Y385 HydrophobicContact CG2-CD1 3.94Å; I273-Y385 HydrophobicContact CG2-CD2 4.3Å; I273-Y385 HydrophobicContact CG2-CE1 4.07Å; I273-Y385 HydrophobicContact CG2-CE2 4.43Å; I273-Y385 HydrophobicContact CG2-CG 4.07Å
274	A	93.7	Very high	90.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.169	C	C	.	.			trans	-60.6	128.1	-179.8	0	0	0	0	0	110.5	L262 H265 L266 I277 E278 Y335 N382	L262-A274 HydrophobicContact CD1-CB 4.02Å; H265-A274 WeakPolarHBondContact CE1-CA 3.46Å; H265-A274 WeakPolarHBondContact CE1-CB 3.29Å; L266-A274 HydrophobicContact CD2-CB 4.23Å; A274-I277 HydrophobicContact CB-CB 4.25Å; A274-I277 HydrophobicContact CB-CD1 4.12Å; A274-I277 HydrophobicContact CB-CG1 4.05Å; A274-I277 WeakPolarHBondContact O-CA 3.5Å; A274-I277 WeakPolarHBondContact O-CB 3.49Å; A274-I277 PolarHBondContact O-N 2.71Å; A274-E278 PolarHBondContact O-N 2.82Å; A274-Y335 HydrophobicContact CB-CE1 4.13Å; A274-Y335 VanDerWaalsContact CB-OH 3.31Å; A274-Y335 WeakPolarHBondContact CB-OH 3.27Å; A274-N382 WeakPolarHBondContact CB-OD1 3.44Å; A274-N382 PolarHBondContact N-OD1 2.9Å
275	F	91.7	Very high	90.8	Very high	20 Å²	20	25.8 Å²	25.8	9%	0.088	17%	0.165	C	C	.	.	H	α-helix	trans	-52.4	-43.7	-177.8	168.1	-121.8	0	0	0	113.8	I273 I277 E278 A279 L311 L316 Y462	I273-F275 PolarHBondContact O-N 3.34Å; F275-I277 VanDerWaalsContact C-N 3.31Å; F275-I277 PolarHBondContact O-N 2.85Å; F275-E278 PolarHBondContact O-N 2.99Å; F275-A279 HydrophobicContact CD2-CB 4.06Å; F275-A279 HydrophobicContact CE2-CB 3.68Å; F275-A279 HydrophobicContact CZ-CB 4.38Å; F275-A279 VanDerWaalsContact O-CB 3.29Å; F275-A279 WeakPolarHBondContact O-CB 3.39Å; F275-A279 PolarHBondContact O-N 3.42Å; F275-L311 HydrophobicContact CE1-CB 4.42Å; F275-L311 HydrophobicContact CE1-CD2 3.86Å; F275-L311 WeakPolarHBondContact CE1-O 3.34Å; F275-L311 HydrophobicContact CE2-CD2 4.47Å; F275-L311 HydrophobicContact CZ-CD2 3.81Å; F275-L316 HydrophobicContact CZ-CB 4.46Å; F275-Y462 HydrophobicContact CD2-CE1 4.49Å; F275-Y462 HydrophobicContact CD2-CE2 4.27Å; F275-Y462 AromaticContact CD2-CZ 3.88Å; F275-Y462 HydrophobicContact CE2-CD1 4.5Å; F275-Y462 AromaticContact CE2-CE1 3.66Å; F275-Y462 HydrophobicContact CE2-CE1 3.66Å; F275-Y462 HydrophobicContact CE2-CE2 4.19Å; F275-Y462 AromaticContact CE2-CZ 3.48Å; F275-Y462 VanDerWaalsContact CE2-CZ 3.48Å; F275-Y462 WeakPolarHBondContact CE2-OH 3.39Å; F275-Y462 HydrophobicContact CZ-CE1 4.5Å
276	P	94.3	Very high	90.9	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-28.4	174.3	-24	35.6	0	0	0	114.8	C257 Y258 C280 Y335	C257-P276 HydrophobicContact CB-CG 3.53Å; Y258-P276 HydrophobicContact CE2-CB 4.3Å; Y258-P276 HydrophobicContact CE2-CG 4.21Å; P276-C280 VanDerWaalsContact O-CB 3.28Å; P276-C280 WeakPolarHBondContact O-CB 3.34Å; P276-C280 PolarHBondContact O-N 3.22Å; P276-C280 PolarHBondContact O-SG 2.84Å; P276-Y335 HydrophobicContact CB-CD1 4.22Å; P276-Y335 HydrophobicContact CB-CD2 3.79Å; P276-Y335 HydrophobicContact CB-CE2 4.28Å; P276-Y335 HydrophobicContact CB-CG 3.75Å; P276-Y335 HydrophobicContact CG-CD2 3.77Å; P276-Y335 HydrophobicContact CG-CE2 3.94Å; P276-Y335 HydrophobicContact CG-CG 4.26Å
277	I	95.8	Very high	90.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.2	-55.4	173.7	-64.5	-177.9	0	0	0	109.4	I273 A274 F275 C280 V281 L332 Y335 L336 N382 Y385	I273-I277 HydrophobicContact CG2-CB 4.41Å; I273-I277 HydrophobicContact CG2-CG2 4.29Å; A274-I277 HydrophobicContact CB-CB 4.25Å; A274-I277 HydrophobicContact CB-CD1 4.12Å; A274-I277 HydrophobicContact CB-CG1 4.05Å; A274-I277 WeakPolarHBondContact O-CA 3.5Å; A274-I277 WeakPolarHBondContact O-CB 3.49Å; A274-I277 PolarHBondContact O-N 2.71Å; F275-I277 VanDerWaalsContact C-N 3.31Å; F275-I277 PolarHBondContact O-N 2.85Å; I277-C280 PolarHBondContact O-N 2.94Å; I277-V281 HydrophobicContact CG2-CG2 4.3Å; I277-V281 VanDerWaalsContact O-CB 3.3Å; I277-V281 WeakPolarHBondContact O-CB 3.5Å; I277-V281 VanDerWaalsContact O-CG2 3.27Å; I277-V281 WeakPolarHBondContact O-CG2 3.12Å; I277-V281 PolarHBondContact O-N 3.41Å; I277-L332 HydrophobicContact CB-CD1 4.29Å; I277-L332 HydrophobicContact CG1-CD1 3.94Å; I277-L332 HydrophobicContact CG2-CD1 4.48Å; I277-Y335 HydrophobicContact CD1-CD1 4.37Å; I277-Y335 HydrophobicContact CD1-CE1 3.81Å; I277-Y335 HydrophobicContact CG1-CD1 3.83Å; I277-Y335 HydrophobicContact CG1-CE1 3.6Å; I277-L336 HydrophobicContact CD1-CD2 3.98Å; I277-L336 HydrophobicContact CG1-CD2 4.43Å; I277-N382 HydrophobicContact CD1-CB 4.03Å; I277-Y385 HydrophobicContact CG2-CD1 3.64Å; I277-Y385 HydrophobicContact CG2-CE1 3.89Å
278	E	93.5	Very high	91.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-55.5	-175.6	-166.1	179.2	144.1	0	0	111	R271 I273 A274 F275 C280 V281 T282 V458 T459	R271-E278 IonicContact CZ-OE2 3.28Å; R271-E278 IonicContact NH2-OE1 3.61Å; R271-E278 IonicContact NH2-OE2 3.41Å; R271-E278 PolarHBondContact NH2-OE2 3.4Å; I273-E278 HydrophobicContact CG2-CB 3.93Å; A274-E278 PolarHBondContact O-N 2.82Å; F275-E278 PolarHBondContact O-N 2.99Å; E278-C280 PolarHBondContact O-N 3.24Å; E278-V281 PolarHBondContact O-N 3.25Å; E278-V281 VanDerWaalsContact O-N 3.12Å; E278-T282 PolarHBondContact O-N 3.44Å; E278-T282 PolarHBondContact O-OG1 2.73Å; E278-V458 PolarHBondContact OE1-N 3.24Å; E278-T459 VanDerWaalsContact CD-OG1 3.25Å; E278-T459 VanDerWaalsContact OE1-CB 3.29Å; E278-T459 WeakPolarHBondContact OE1-CB 3.14Å; E278-T459 PolarHBondContact OE1-N 3.47Å; E278-T459 PolarHBondContact OE1-OG1 3.33Å; E278-T459 PolarHBondContact OE2-OG1 2.76Å
279	A	92.4	Very high	92.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-43.6	-176.7	0	0	0	0	0	112.8	F275 M283 L311 L316 Y462	F275-A279 HydrophobicContact CD2-CB 4.06Å; F275-A279 HydrophobicContact CE2-CB 3.68Å; F275-A279 HydrophobicContact CZ-CB 4.38Å; F275-A279 VanDerWaalsContact O-CB 3.29Å; F275-A279 WeakPolarHBondContact O-CB 3.39Å; F275-A279 PolarHBondContact O-N 3.42Å; A279-M283 WeakPolarHBondContact O-CB 3.43Å; A279-M283 WeakPolarHBondContact O-CG 3.44Å; A279-M283 PolarHBondContact O-N 3Å; A279-L311 HydrophobicContact CB-CD2 4.08Å; A279-L316 HydrophobicContact CB-CD2 3.8Å; A279-Y462 HydrophobicContact CB-CD1 4.44Å; A279-Y462 HydrophobicContact CB-CD2 4.42Å; A279-Y462 HydrophobicContact CB-CG 4.29Å
280	C	95.8	Very high	92.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-36.9	177.7	-66.1	0	0	0	0	112.2	P276 I277 E278 L284 I328 L332	P276-C280 VanDerWaalsContact O-CB 3.28Å; P276-C280 WeakPolarHBondContact O-CB 3.34Å; P276-C280 PolarHBondContact O-N 3.22Å; P276-C280 PolarHBondContact O-SG 2.84Å; I277-C280 PolarHBondContact O-N 2.94Å; E278-C280 PolarHBondContact O-N 3.24Å; C280-L284 WeakPolarHBondContact O-CB 3.28Å; C280-L284 WeakPolarHBondContact O-CG 3.08Å; C280-L284 PolarHBondContact O-N 3.02Å; C280-I328 HydrophobicContact CB-CG2 3.72Å; C280-I328 WeakPolarHBondContact O-CG2 3.24Å; C280-L332 HydrophobicContact CB-CB 3.75Å; C280-L332 HydrophobicContact CB-CD1 4.48Å; C280-L332 HydrophobicContact CB-CD2 4.14Å; C280-L332 HydrophobicContact CB-CG 4.35Å
281	V	96	Very high	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-47.4	176.7	163.5	0	0	0	0	111.3	I277 E278 M283 L284 L285 L332 Y385 F389 F456	I277-V281 HydrophobicContact CG2-CG2 4.3Å; I277-V281 VanDerWaalsContact O-CB 3.3Å; I277-V281 WeakPolarHBondContact O-CB 3.5Å; I277-V281 VanDerWaalsContact O-CG2 3.27Å; I277-V281 WeakPolarHBondContact O-CG2 3.12Å; I277-V281 PolarHBondContact O-N 3.41Å; E278-V281 PolarHBondContact O-N 3.25Å; E278-V281 VanDerWaalsContact O-N 3.12Å; V281-M283 PolarHBondContact O-N 3.48Å; V281-L284 PolarHBondContact O-N 3.31Å; V281-L285 HydrophobicContact CG1-CD1 3.72Å; V281-L285 HydrophobicContact CG1-CG 4.48Å; V281-L285 WeakPolarHBondContact O-CB 3.14Å; V281-L285 WeakPolarHBondContact O-CD1 3.49Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.41Å; V281-L285 PolarHBondContact O-N 2.73Å; V281-L332 HydrophobicContact CG2-CD2 4.06Å; V281-Y385 HydrophobicContact CB-CE1 3.81Å; V281-Y385 HydrophobicContact CG1-CE1 3.69Å; V281-Y385 HydrophobicContact CG2-CE1 3.96Å; V281-F389 HydrophobicContact CB-CD2 4.39Å; V281-F389 HydrophobicContact CB-CG 4.35Å; V281-F389 HydrophobicContact CG1-CB 3.86Å; V281-F389 HydrophobicContact CG1-CD2 3.68Å; V281-F389 HydrophobicContact CG1-CE2 4.43Å; V281-F389 HydrophobicContact CG1-CG 3.78Å; V281-F389 HydrophobicContact CG2-CB 4.18Å; V281-F389 HydrophobicContact CG2-CD1 3.86Å; V281-F389 HydrophobicContact CG2-CD2 4.29Å; V281-F389 HydrophobicContact CG2-CE1 4.37Å; V281-F389 HydrophobicContact CG2-CG 3.82Å; V281-F456 HydrophobicContact CG1-CB 4.35Å; V281-F456 HydrophobicContact CG1-CD1 3.66Å; V281-F456 HydrophobicContact CG1-CE1 4.34Å; V281-F456 HydrophobicContact CG1-CG 4.32Å
282	T	93	Very high	93.9	Very high	7 Å²	7	32 Å²	32	4%	0.043	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-48.2	177.8	-44.3	0	0	0	0	110.6	E278 L284 L285 E286 F456 N457 Y462	E278-T282 PolarHBondContact O-N 3.44Å; E278-T282 PolarHBondContact O-OG1 2.73Å; T282-L284 PolarHBondContact O-N 2.87Å; T282-L285 WeakPolarHBondContact O-CB 3.47Å; T282-L285 PolarHBondContact O-N 2.69Å; T282-E286 PolarHBondContact O-N 3.48Å; T282-E286 VanDerWaalsContact O-N 3.16Å; T282-F456 PolarHBondContact OG1-O 3Å; T282-N457 HydrophobicContact CG2-CB 4.11Å; T282-Y462 WeakPolarHBondContact CG2-O 3.32Å
283	M	92.8	Very high	94.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.8	-69.1	177.5	72.3	0	0	113	A279 V281 L285 E286 C287 L316 V318 F321 I328	A279-M283 WeakPolarHBondContact O-CB 3.43Å; A279-M283 WeakPolarHBondContact O-CG 3.44Å; A279-M283 PolarHBondContact O-N 3Å; V281-M283 PolarHBondContact O-N 3.48Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.83Å; M283-E286 PolarHBondContact O-N 2.98Å; M283-C287 PolarHBondContact O-N 3.09Å; M283-C287 PolarHBondContact O-SG 3.4Å; M283-L316 HydrophobicContact SD-CD1 4.38Å; M283-L316 HydrophobicContact SD-CD2 3.97Å; M283-L316 HydrophobicContact SD-CG 4.49Å; M283-V318 HydrophobicContact CE-CG1 4.36Å; M283-V318 HydrophobicContact CG-CG1 4.17Å; M283-F321 HydrophobicContact CE-CB 3.53Å; M283-I328 HydrophobicContact CB-CD1 3.99Å; M283-I328 HydrophobicContact CB-CG2 4.22Å; M283-I328 HydrophobicContact CE-CD1 3.48Å; M283-I328 VanDerWaalsContact CE-CD1 3.48Å; M283-I328 HydrophobicContact CE-CG1 3.96Å; M283-I328 HydrophobicContact SD-CD1 4.37Å
284	L	95.6	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.9	-33.2	177.4	-73.9	173.2	0	0	0	112.5	C280 V281 T282 E286 G288 M289 L294 F295 P325 I328 A329 F389	C280-L284 WeakPolarHBondContact O-CB 3.28Å; C280-L284 WeakPolarHBondContact O-CG 3.08Å; C280-L284 PolarHBondContact O-N 3.02Å; V281-L284 PolarHBondContact O-N 3.31Å; T282-L284 PolarHBondContact O-N 2.87Å; L284-E286 VanDerWaalsContact C-N 3.3Å; L284-E286 PolarHBondContact O-N 3.17Å; L284-G288 CarbonylContact O-C 3.47Å; L284-G288 VanDerWaalsContact O-CA 3.24Å; L284-G288 WeakPolarHBondContact O-CA 3.4Å; L284-G288 PolarHBondContact O-N 2.95Å; L284-M289 WeakPolarHBondContact O-CG 3.25Å; L284-M289 PolarHBondContact O-N 2.66Å; L284-M289 VanDerWaalsContact O-N 3.08Å; L284-L294 HydrophobicContact CD2-CD1 3.93Å; L284-L294 HydrophobicContact CD2-CD2 4.2Å; L284-F295 HydrophobicContact CD1-CZ 3.96Å; L284-P325 HydrophobicContact CD2-CB 4.05Å; L284-I328 HydrophobicContact CD1-CG2 4.25Å; L284-I328 HydrophobicContact CD2-CB 4.07Å; L284-I328 HydrophobicContact CD2-CG2 4.15Å; L284-I328 HydrophobicContact CG-CB 4.26Å; L284-I328 HydrophobicContact CG-CG2 3.77Å; L284-A329 HydrophobicContact CD1-CB 4.12Å; L284-A329 HydrophobicContact CD2-CB 4.44Å; L284-F389 HydrophobicContact CB-CE2 3.99Å; L284-F389 HydrophobicContact CB-CZ 3.85Å; L284-F389 HydrophobicContact CD1-CE1 4.38Å; L284-F389 HydrophobicContact CD1-CZ 3.84Å
285	L	93.8	Very high	94.3	Very high	41 Å²	41	26 Å²	26	22%	0.215	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-32.5	173.3	-75.7	162	0	0	0	112.6	V281 T282 M283 M289 F389 K392 F456	V281-L285 HydrophobicContact CG1-CD1 3.72Å; V281-L285 HydrophobicContact CG1-CG 4.48Å; V281-L285 WeakPolarHBondContact O-CB 3.14Å; V281-L285 WeakPolarHBondContact O-CD1 3.49Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.41Å; V281-L285 PolarHBondContact O-N 2.73Å; T282-L285 WeakPolarHBondContact O-CB 3.47Å; T282-L285 PolarHBondContact O-N 2.69Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.83Å; L285-M289 HydrophobicContact CD2-CE 4.02Å; L285-M289 HydrophobicContact CD2-SD 3.8Å; L285-M289 HydrophobicContact CG-SD 4.32Å; L285-F389 HydrophobicContact CD1-CD2 4.27Å; L285-F389 HydrophobicContact CD2-CD2 4.1Å; L285-F389 HydrophobicContact CD2-CE2 4.36Å; L285-F389 HydrophobicContact CG-CD2 3.93Å; L285-F389 HydrophobicContact CG-CE2 4.07Å; L285-K392 HydrophobicContact CD2-CD 3.98Å; L285-K392 HydrophobicContact CD2-CG 4.48Å; L285-F456 HydrophobicContact CD1-CB 3.31Å; L285-F456 HydrophobicContact CD1-CD1 4.05Å; L285-F456 HydrophobicContact CD1-CD2 3.82Å; L285-F456 HydrophobicContact CD1-CG 3.48Å; L285-F456 VanDerWaalsContact CD1-CG 3.48Å
286	E	89.8	Confident	94.5	Very high	98 Å²	98	31.8 Å²	31.8	46%	0.458	15%	0.15	S	C	.	.	H	α-helix	trans	-81.7	-45	177.5	-65.7	-158.2	141.3	0	0	113.9	T282 M283 L284 G463 S464	T282-E286 PolarHBondContact O-N 3.48Å; T282-E286 VanDerWaalsContact O-N 3.16Å; M283-E286 PolarHBondContact O-N 2.98Å; L284-E286 VanDerWaalsContact C-N 3.3Å; L284-E286 PolarHBondContact O-N 3.17Å; E286-G463 WeakPolarHBondContact OE1-CA 3.34Å; E286-S464 VanDerWaalsContact CD-N 3.28Å; E286-S464 PolarHBondContact OE1-N 2.78Å; E286-S464 WeakPolarHBondContact OE2-CB 3.35Å; E286-S464 PolarHBondContact OE2-N 3.09Å
287	C	89.4	Confident	94.5	Very high	52 Å²	52	35 Å²	35	35%	0.351	17%	0.166	S	C	.	.	H	α-helix	trans	-122	-10.3	-169.6	75.7	0	0	0	0	115.5	M283 S322	M283-C287 PolarHBondContact O-N 3.09Å; M283-C287 PolarHBondContact O-SG 3.4Å; C287-S322 PolarHBondContact SG-O 2.95Å
288	G	93.2	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-19.3	-167.1	0	0	0	0	0	116.8	L284 Q290 E291	L284-G288 CarbonylContact O-C 3.47Å; L284-G288 VanDerWaalsContact O-CA 3.24Å; L284-G288 WeakPolarHBondContact O-CA 3.4Å; L284-G288 PolarHBondContact O-N 2.95Å; G288-Q290 PolarHBondContact O-N 3.39Å; G288-E291 VanDerWaalsContact O-CB 3.31Å; G288-E291 WeakPolarHBondContact O-CB 3.36Å; G288-E291 PolarHBondContact O-N 2.89Å
289	M	96.4	Very high	94.3	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.079	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.8	-165.7	-63.2	-57.3	-73.9	0	0	116.2	L284 L285 F389 K392 L393 Y396 N400	L284-M289 WeakPolarHBondContact O-CG 3.25Å; L284-M289 PolarHBondContact O-N 2.66Å; L284-M289 VanDerWaalsContact O-N 3.08Å; L285-M289 HydrophobicContact CD2-CE 4.02Å; L285-M289 HydrophobicContact CD2-SD 3.8Å; L285-M289 HydrophobicContact CG-SD 4.32Å; M289-F389 HydrophobicContact SD-CE2 3.93Å; M289-K392 HydrophobicContact CE-CB 4.5Å; M289-K392 HydrophobicContact CE-CG 3.99Å; M289-K392 WeakPolarHBondContact CE-O 3.45Å; M289-L393 HydrophobicContact CE-CB 4.23Å; M289-L393 HydrophobicContact CE-CD1 4.04Å; M289-L393 HydrophobicContact SD-CD1 3.98Å; M289-Y396 HydrophobicContact CB-CD2 4.29Å; M289-Y396 HydrophobicContact CB-CE2 4.44Å; M289-Y396 HydrophobicContact CB-CG 4.43Å; M289-Y396 HydrophobicContact CE-CD2 3.92Å; M289-Y396 HydrophobicContact CE-CE2 4.02Å; M289-Y396 WeakPolarHBondContact O-CB 3.31Å; M289-N400 PolarHBondContact O-ND2 3.29Å
290	Q	96	Very high	94.3	Very high	124 Å²	124	43 Å²	43	58%	0.579	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-3.3	-180	-68	179.2	50.7	0	0	113.9	G288 Y396 V399	G288-Q290 PolarHBondContact O-N 3.39Å; Q290-Y396 HydrophobicContact CG-CD1 3.89Å; Q290-Y396 HydrophobicContact CG-CE1 4.43Å; Q290-V399 HydrophobicContact CB-CG1 4Å; Q290-V399 HydrophobicContact CG-CG1 4.35Å
291	E	97.1	Very high	94.2	Very high	78 Å²	78	46.8 Å²	46.8	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	-70.7	127.8	-174.9	-172.9	65.8	-98.8	0	0	112	G288 G293 L294 P325 N400	G288-E291 VanDerWaalsContact O-CB 3.31Å; G288-E291 WeakPolarHBondContact O-CB 3.36Å; G288-E291 PolarHBondContact O-N 2.89Å; E291-G293 PolarHBondContact O-N 2.7Å; E291-L294 HydrophobicContact CB-CD2 3.92Å; E291-L294 HydrophobicContact CB-CG 4.3Å; E291-L294 HydrophobicContact CG-CD2 4.08Å; E291-P325 HydrophobicContact CB-CB 4.13Å; E291-P325 HydrophobicContact CB-CG 4.35Å; E291-P325 HydrophobicContact CG-CB 4.06Å; E291-P325 HydrophobicContact CG-CG 4.25Å; E291-N400 WeakPolarHBondContact O-CB 3.43Å
292	E	96.6	Very high	94.1	Very high	97 Å²	97	50.9 Å²	50.9	45%	0.453	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	121.2	-172.3	-74.1	-158	159.9	0	0	112.4	I297 H326 N400 K401	E292-I297 VanDerWaalsContact O-CD1 3.26Å; E292-I297 WeakPolarHBondContact O-CD1 3.36Å; E292-H326 PolarHBondContact O-CE1 2.77Å; E292-N400 WeakPolarHBondContact CA-O 3.29Å; E292-K401 HydrophobicContact CG-CG 4.29Å; E292-K401 WeakPolarHBondContact OE1-CE 3.42Å; E292-K401 IonicContact OE1-NZ 2.71Å
293	G	94.8	Very high	94.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	34.9	171	0	0	0	0	0	115.7	E291 R296 I297 N400	E291-G293 PolarHBondContact O-N 2.7Å; G293-R296 WeakPolarHBondContact O-CB 3.14Å; G293-R296 PolarHBondContact O-N 2.75Å; G293-R296 VanDerWaalsContact O-N 3.13Å; G293-I297 PolarHBondContact O-N 3.44Å; G293-N400 PolarHBondContact N-O 3.07Å
294	L	96	Very high	94.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	145.6	164.7	-68	-171.3	0	0	0	111.8	L284 E291 R296 P325 A329 L393 M402	L284-L294 HydrophobicContact CD2-CD1 3.93Å; L284-L294 HydrophobicContact CD2-CD2 4.2Å; E291-L294 HydrophobicContact CB-CD2 3.92Å; E291-L294 HydrophobicContact CB-CG 4.3Å; E291-L294 HydrophobicContact CG-CD2 4.08Å; L294-R296 PolarHBondContact O-N 3.01Å; L294-P325 HydrophobicContact CD2-CB 3.81Å; L294-A329 HydrophobicContact CB-CB 4.23Å; L294-A329 HydrophobicContact CD2-CB 4.1Å; L294-L393 HydrophobicContact CD1-CD1 3.98Å; L294-L393 HydrophobicContact CD1-CD2 4.16Å; L294-M402 WeakPolarHBondContact O-CE 3.36Å
295	F	96.1	Very high	94.1	Very high	6 Å²	6	64 Å²	64	3%	0.026	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-18.3	-175.2	-49.8	-75.2	0	0	0	116.6	L284 A329 L332 K333 F389 L390 L393 V410 L411	L284-F295 HydrophobicContact CD1-CZ 3.96Å; F295-A329 HydrophobicContact CD1-CB 3.69Å; F295-A329 VanDerWaalsContact CD1-O 3.24Å; F295-A329 WeakPolarHBondContact CD1-O 3.45Å; F295-A329 HydrophobicContact CD2-CB 4.45Å; F295-A329 HydrophobicContact CE1-CB 3.64Å; F295-A329 VanDerWaalsContact CE1-O 3.3Å; F295-A329 WeakPolarHBondContact CE1-O 3.49Å; F295-A329 HydrophobicContact CE2-CB 4.39Å; F295-A329 HydrophobicContact CG-CB 4.11Å; F295-A329 HydrophobicContact CZ-CB 3.99Å; F295-L332 HydrophobicContact CE1-CB 4.29Å; F295-L332 HydrophobicContact CE1-CD2 3.98Å; F295-L332 HydrophobicContact CE1-CG 4.24Å; F295-L332 HydrophobicContact CZ-CD2 4.03Å; F295-K333 HydrophobicContact CB-CD 4.36Å; F295-K333 HydrophobicContact CD1-CB 4.13Å; F295-K333 PolarHBondContact O-NZ 3.33Å; F295-F389 HydrophobicContact CE2-CE1 4.15Å; F295-F389 AromaticContact CZ-CE1 3.94Å; F295-F389 HydrophobicContact CZ-CE1 3.94Å; F295-L390 HydrophobicContact CE2-CD2 3.98Å; F295-L390 HydrophobicContact CZ-CD2 4.39Å; F295-L393 HydrophobicContact CD2-CD2 4.34Å; F295-L393 HydrophobicContact CE2-CD2 3.87Å; F295-V410 HydrophobicContact CB-CB 4.48Å; F295-V410 HydrophobicContact CB-CG2 3.56Å; F295-L411 HydrophobicContact CB-CD2 4.45Å; F295-L411 HydrophobicContact CB-CG 4.28Å; F295-L411 HydrophobicContact CD1-CD1 4.16Å; F295-L411 HydrophobicContact CD1-CD2 3.79Å; F295-L411 HydrophobicContact CD1-CG 4.18Å; F295-L411 HydrophobicContact CD2-CD1 4.18Å; F295-L411 HydrophobicContact CE1-CD1 4.3Å; F295-L411 HydrophobicContact CE1-CD2 4.3Å; F295-L411 HydrophobicContact CE2-CD1 4.33Å; F295-L411 HydrophobicContact CG-CD1 4.1Å; F295-L411 HydrophobicContact CG-CD2 4.2Å; F295-L411 HydrophobicContact CG-CG 4.11Å; F295-L411 HydrophobicContact CZ-CD1 4.39Å
296	R	95.7	Very high	94.1	Very high	141 Å²	141	66.8 Å²	66.8	53%	0.532	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-47.1	176.6	-176.1	-175.8	64.9	129.4	0.2	111.9	G293 L294 M402 V410	G293-R296 WeakPolarHBondContact O-CB 3.14Å; G293-R296 PolarHBondContact O-N 2.75Å; G293-R296 VanDerWaalsContact O-N 3.13Å; L294-R296 PolarHBondContact O-N 3.01Å; R296-M402 HydrophobicContact CB-SD 4.26Å; R296-V410 HydrophobicContact CB-CG1 4.02Å; R296-V410 HydrophobicContact CG-CG1 4.27Å
297	I	94.3	Very high	94.3	Very high	67 Å²	67	62.1 Å²	62.1	34%	0.344	33%	0.334	S	S	.	.	S	Bend	trans	-75.5	129	177.1	-61.4	-175	0	0	0	109.3	E292 G293	E292-I297 VanDerWaalsContact O-CD1 3.26Å; E292-I297 WeakPolarHBondContact O-CD1 3.36Å; G293-I297 PolarHBondContact O-N 3.44Å
298	A	92.3	Very high	94.5	Very high	88 Å²	88	61.5 Å²	61.5	73%	0.727	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-79.3	123.6	178.2	0	0	0	0	0	110.4
299	P	92.8	Very high	94.5	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.175	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-73	169	177.3	31.2	-37.3	0	0	0	112.5	A301 L304 H326 A327	P299-A301 PolarHBondContact O-N 3Å; P299-L304 HydrophobicContact CG-CB 4.13Å; P299-L304 HydrophobicContact CG-CD2 4.18Å; P299-H326 HydrophobicContact CB-CB 4.14Å; P299-H326 WeakPolarHBondContact CG-O 3.36Å; P299-A327 HydrophobicContact CB-CB 4.12Å
300	S	93.9	Very high	94.2	Very high	58 Å²	58	64 Å²	64	41%	0.406	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-56.6	121.8	168.4	175.6	0	0	0	0	110.8	S302 K303 L304	S300-S302 PolarHBondContact O-N 2.75Å; S300-S302 VanDerWaalsContact O-N 3.12Å; S300-S302 PolarHBondContact OG-OG 3.36Å; S300-S302 VanDerWaalsContact OG-OG 3.08Å; S300-K303 PolarHBondContact O-N 2.74Å; S300-L304 PolarHBondContact O-N 3.45Å
301	A	93.8	Very high	93.9	Very high	79 Å²	79	58.2 Å²	58.2	65%	0.653	32%	0.32	S	S	*	.	H	α-helix	trans	-58.1	-28.4	-177.9	0	0	0	0	0	113.4	P299 K305	P299-A301 PolarHBondContact O-N 3Å; A301-K305 VanDerWaalsContact O-CB 3.25Å; A301-K305 WeakPolarHBondContact O-CB 3.36Å; A301-K305 PolarHBondContact O-N 3.34Å
302	S	93.6	Very high	93.5	Very high	87 Å²	87	56.3 Å²	56.3	61%	0.608	31%	0.312	S	S	*	.	H	α-helix	trans	-74.5	-40	175	58.1	0	0	0	0	112.7	S300 K306	S300-S302 PolarHBondContact O-N 2.75Å; S300-S302 VanDerWaalsContact O-N 3.12Å; S300-S302 PolarHBondContact OG-OG 3.36Å; S300-S302 VanDerWaalsContact OG-OG 3.08Å; S302-K306 PolarHBondContact O-N 2.99Å
303	K	92.7	Very high	92.9	Very high	86 Å²	86	54.4 Å²	54.4	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-47.6	173.1	-74.6	-171.7	174.4	-169.4	0	111	S300 K305 K306 L307 D324 A327	S300-K303 PolarHBondContact O-N 2.74Å; K303-K305 PolarHBondContact O-N 3.27Å; K303-K306 PolarHBondContact O-N 3.42Å; K303-K306 VanDerWaalsContact O-N 3.13Å; K303-L307 PolarHBondContact O-N 3.12Å; K303-D324 HydrophobicContact CD-CB 4.11Å; K303-D324 WeakPolarHBondContact CD-OD2 3.42Å; K303-D324 WeakPolarHBondContact CE-OD2 3.39Å; K303-D324 IonicContact NZ-OD2 3.84Å; K303-D324 PolarHBondContact NZ-OD2 2.99Å; K303-A327 HydrophobicContact CB-CB 4.24Å
304	L	94.8	Very high	92.3	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-56.9	-47.9	175.9	177.2	59.5	0	0	0	111.3	P299 S300 K306 L307 K308 G330 A331	P299-L304 HydrophobicContact CG-CB 4.13Å; P299-L304 HydrophobicContact CG-CD2 4.18Å; S300-L304 PolarHBondContact O-N 3.45Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.32Å; L304-L307 PolarHBondContact O-N 2.92Å; L304-K308 HydrophobicContact CD1-CD 4.29Å; L304-K308 HydrophobicContact CD1-CG 4.15Å; L304-K308 HydrophobicContact CG-CD 4.36Å; L304-K308 WeakPolarHBondContact O-CB 3.49Å; L304-K308 WeakPolarHBondContact O-CG 3.32Å; L304-K308 PolarHBondContact O-N 3.49Å; L304-G330 VanDerWaalsContact CD1-C 3.43Å; L304-A331 HydrophobicContact CD1-CB 4.04Å; L304-A331 VanDerWaalsContact CD1-N 3.33Å
305	K	94.1	Very high	91.6	Very high	164 Å²	164	61.5 Å²	61.5	71%	0.713	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-38	176.7	-174.8	175	179.9	178.6	0	112.5	A301 K303 A309	A301-K305 VanDerWaalsContact O-CB 3.25Å; A301-K305 WeakPolarHBondContact O-CB 3.36Å; A301-K305 PolarHBondContact O-N 3.34Å; K303-K305 PolarHBondContact O-N 3.27Å; K305-A309 WeakPolarHBondContact O-CB 3.4Å; K305-A309 PolarHBondContact O-N 3.49Å
306	K	93.4	Very high	91	Very high	99 Å²	99	62.8 Å²	62.8	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-49.3	175.7	-176.7	-178.9	166.8	174.6	0	111.6	S302 K303 L304 A309 S310 E320 F321	S302-K306 PolarHBondContact O-N 2.99Å; K303-K306 PolarHBondContact O-N 3.42Å; K303-K306 VanDerWaalsContact O-N 3.13Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.32Å; K306-A309 PolarHBondContact O-N 3.21Å; K306-S310 WeakPolarHBondContact O-CB 3.39Å; K306-S310 PolarHBondContact O-N 3.22Å; K306-E320 WeakPolarHBondContact CE-OE2 3.12Å; K306-E320 IonicContact NZ-OE1 2.59Å; K306-E320 PolarHBondContact NZ-OE1 3.32Å; K306-E320 IonicContact NZ-OE2 2.9Å; K306-E320 PolarHBondContact NZ-OE2 2.97Å; K306-F321 HydrophobicContact CB-CE1 4.49Å; K306-F321 HydrophobicContact CD-CE1 4.13Å; K306-F321 HydrophobicContact CD-CZ 4.21Å; K306-F321 HydrophobicContact CG-CE1 4.06Å; K306-F321 HydrophobicContact CG-CZ 3.99Å
307	L	93.9	Very high	90.5	Very high	0 Å²	0	60 Å²	60	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-42.7	-179.2	177.7	53.9	0	0	0	111.8	K303 L304 A309 S310 L311 L316 F321 I328 A331	K303-L307 PolarHBondContact O-N 3.12Å; L304-L307 PolarHBondContact O-N 2.92Å; L307-A309 PolarHBondContact O-N 3.04Å; L307-S310 WeakPolarHBondContact O-CB 3.39Å; L307-S310 PolarHBondContact O-N 2.87Å; L307-L311 HydrophobicContact CD1-CD1 4.07Å; L307-L311 HydrophobicContact CD1-CG 4.09Å; L307-L311 HydrophobicContact CG-CD1 4.12Å; L307-L311 WeakPolarHBondContact O-CG 3.27Å; L307-L311 PolarHBondContact O-N 3.12Å; L307-L316 HydrophobicContact CD1-CD1 3.56Å; L307-F321 HydrophobicContact CB-CD1 3.97Å; L307-F321 HydrophobicContact CB-CE1 3.77Å; L307-F321 HydrophobicContact CB-CZ 4.23Å; L307-F321 HydrophobicContact CD1-CB 4.31Å; L307-F321 HydrophobicContact CD1-CD1 4.02Å; L307-F321 HydrophobicContact CD1-CD2 3.69Å; L307-F321 HydrophobicContact CD1-CE1 4.2Å; L307-F321 HydrophobicContact CD1-CE2 3.9Å; L307-F321 HydrophobicContact CD1-CG 3.76Å; L307-F321 HydrophobicContact CD1-CZ 4.14Å; L307-F321 HydrophobicContact CD2-CD1 4.47Å; L307-F321 HydrophobicContact CG-CD1 4.37Å; L307-I328 HydrophobicContact CD2-CB 4.31Å; L307-I328 HydrophobicContact CD2-CG1 3.96Å; L307-A331 HydrophobicContact CD2-CB 3.74Å; L307-A331 HydrophobicContact CG-CB 3.88Å
308	K	94.1	Very high	89.9	Confident	39 Å²	39	58.3 Å²	58.3	17%	0.17	36%	0.357	C	S	.	.	H	α-helix	trans	-55.2	-50.4	172.5	-74	-175.2	64.1	-179.4	0	112.3	Y258 L304 S310 L311 D312 E338	Y258-K308 HydrophobicContact CD1-CD 4.39Å; Y258-K308 HydrophobicContact CD1-CG 4.49Å; Y258-K308 HydrophobicContact CE1-CB 4.47Å; Y258-K308 HydrophobicContact CE1-CD 3.99Å; Y258-K308 VanDerWaalsContact CE1-CE 3.41Å; Y258-K308 HydrophobicContact CE1-CG 3.78Å; Y258-K308 HydrophobicContact CE2-CB 4.44Å; Y258-K308 HydrophobicContact CE2-CG 4.49Å; L304-K308 HydrophobicContact CD1-CD 4.29Å; L304-K308 HydrophobicContact CD1-CG 4.15Å; L304-K308 HydrophobicContact CG-CD 4.36Å; L304-K308 WeakPolarHBondContact O-CB 3.49Å; L304-K308 WeakPolarHBondContact O-CG 3.32Å; L304-K308 PolarHBondContact O-N 3.49Å; K308-S310 VanDerWaalsContact C-N 3.28Å; K308-S310 PolarHBondContact O-N 3.13Å; K308-L311 PolarHBondContact O-N 3.39Å; K308-D312 PolarHBondContact O-N 3.45Å; K308-E338 IonicContact NZ-OE1 2.66Å; K308-E338 PolarHBondContact NZ-OE1 3.43Å; K308-E338 IonicContact NZ-OE2 2.68Å; K308-E338 PolarHBondContact NZ-OE2 2.97Å
309	A	91.4	Very high	89.4	Confident	56 Å²	56	60.5 Å²	60.5	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-31.8	-179.9	0	0	0	0	0	113.1	K305 K306 L307 C313	K305-A309 WeakPolarHBondContact O-CB 3.4Å; K305-A309 PolarHBondContact O-N 3.49Å; K306-A309 PolarHBondContact O-N 3.21Å; L307-A309 PolarHBondContact O-N 3.04Å; A309-C313 PolarHBondContact O-N 3.04Å; A309-C313 PolarHBondContact O-SG 3.4Å
310	S	91	Very high	89.1	Confident	12 Å²	12	63.3 Å²	63.3	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-67.9	-39.1	173.1	160.3	0	0	0	0	112.2	K306 L307 K308 C313 G314 V315 L316 F321	K306-S310 WeakPolarHBondContact O-CB 3.39Å; K306-S310 PolarHBondContact O-N 3.22Å; L307-S310 WeakPolarHBondContact O-CB 3.39Å; L307-S310 PolarHBondContact O-N 2.87Å; K308-S310 VanDerWaalsContact C-N 3.28Å; K308-S310 PolarHBondContact O-N 3.13Å; S310-C313 PolarHBondContact O-SG 3.26Å; S310-G314 PolarHBondContact O-N 3.14Å; S310-V315 WeakPolarHBondContact CB-O 3.35Å; S310-V315 CarbonylContact O-C 3.53Å; S310-V315 PolarHBondContact O-N 3.13Å; S310-V315 VanDerWaalsContact O-N 3.13Å; S310-V315 PolarHBondContact OG-O 2.85Å; S310-L316 WeakPolarHBondContact OG-CA 3.4Å; S310-F321 WeakPolarHBondContact OG-CE2 3.4Å
311	L	90.4	Very high	88.8	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-70.9	-38.6	172.7	-68.6	166.8	0	0	0	112.1	Y258 F275 A279 L307 K308 C313 G314 L316 A331	Y258-L311 HydrophobicContact CE2-CB 4Å; Y258-L311 HydrophobicContact CE2-CD1 4.4Å; Y258-L311 WeakPolarHBondContact OH-CD1 3.45Å; F275-L311 HydrophobicContact CE1-CB 4.42Å; F275-L311 HydrophobicContact CE1-CD2 3.86Å; F275-L311 WeakPolarHBondContact CE1-O 3.34Å; F275-L311 HydrophobicContact CE2-CD2 4.47Å; F275-L311 HydrophobicContact CZ-CD2 3.81Å; A279-L311 HydrophobicContact CB-CD2 4.08Å; L307-L311 HydrophobicContact CD1-CD1 4.07Å; L307-L311 HydrophobicContact CD1-CG 4.09Å; L307-L311 HydrophobicContact CG-CD1 4.12Å; L307-L311 WeakPolarHBondContact O-CG 3.27Å; L307-L311 PolarHBondContact O-N 3.12Å; K308-L311 PolarHBondContact O-N 3.39Å; L311-C313 VanDerWaalsContact C-N 3.25Å; L311-C313 PolarHBondContact O-N 3.31Å; L311-G314 PolarHBondContact O-N 3.21Å; L311-L316 HydrophobicContact CD2-CD1 4.07Å; L311-L316 HydrophobicContact CD2-CD2 4.25Å; L311-A331 HydrophobicContact CD1-CB 4.16Å
312	D	88.8	Confident	88.4	Confident	38 Å²	38	58.9 Å²	58.9	20%	0.203	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-23.3	177.1	-87.2	-42.6	0	0	0	114.2	P256 C257 Y258 K308	P256-D312 WeakPolarHBondContact CA-O 3.43Å; P256-D312 VanDerWaalsContact CA-OD1 3.29Å; P256-D312 WeakPolarHBondContact CA-OD1 3.49Å; P256-D312 HydrophobicContact CB-CB 4.22Å; P256-D312 WeakPolarHBondContact CB-OD1 3.39Å; C257-D312 PolarHBondContact N-OD1 2.96Å; Y258-D312 VanDerWaalsContact CD2-OD1 3.3Å; Y258-D312 WeakPolarHBondContact CD2-OD1 3.38Å; Y258-D312 PolarHBondContact N-OD1 2.88Å; K308-D312 PolarHBondContact O-N 3.45Å
313	C	84.2	Confident	88.1	Confident	58 Å²	58	59.6 Å²	59.6	39%	0.392	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	6.3	174.9	69.2	0	0	0	0	114.2	A309 S310 L311 V315	A309-C313 PolarHBondContact O-N 3.04Å; A309-C313 PolarHBondContact O-SG 3.4Å; S310-C313 PolarHBondContact O-SG 3.26Å; L311-C313 VanDerWaalsContact C-N 3.25Å; L311-C313 PolarHBondContact O-N 3.31Å; C313-V315 PolarHBondContact O-N 2.92Å; C313-V315 VanDerWaalsContact O-N 3.11Å
314	G	80.6	Confident	88.1	Confident	46 Å²	46	56.7 Å²	56.7	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-7	-179.1	0	0	0	0	0	116	S310 L311 L316	S310-G314 PolarHBondContact O-N 3.14Å; L311-G314 PolarHBondContact O-N 3.21Å; G314-L316 PolarHBondContact O-N 3.08Å
315	V	82.5	Confident	88.1	Confident	103 Å²	103	55.5 Å²	55.5	62%	0.624	31%	0.309	S	S	*	.			trans	-94.8	94.4	-175.2	-176.4	0	0	0	0	110.3	S310 C313	S310-V315 WeakPolarHBondContact CB-O 3.35Å; S310-V315 CarbonylContact O-C 3.53Å; S310-V315 PolarHBondContact O-N 3.13Å; S310-V315 VanDerWaalsContact O-N 3.13Å; S310-V315 PolarHBondContact OG-O 2.85Å; C313-V315 PolarHBondContact O-N 2.92Å; C313-V315 VanDerWaalsContact O-N 3.11Å
316	L	83.4	Confident	88.3	Confident	32 Å²	32	49.5 Å²	49.5	17%	0.168	28%	0.284	C	S	.	.			trans	-109	117.2	-175.6	-174.8	67.5	0	0	0	112.8	F275 A279 M283 L307 S310 L311 G314 V318 F321 Y462	F275-L316 HydrophobicContact CZ-CB 4.46Å; A279-L316 HydrophobicContact CB-CD2 3.8Å; M283-L316 HydrophobicContact SD-CD1 4.38Å; M283-L316 HydrophobicContact SD-CD2 3.97Å; M283-L316 HydrophobicContact SD-CG 4.49Å; L307-L316 HydrophobicContact CD1-CD1 3.56Å; S310-L316 WeakPolarHBondContact OG-CA 3.4Å; L311-L316 HydrophobicContact CD2-CD1 4.07Å; L311-L316 HydrophobicContact CD2-CD2 4.25Å; G314-L316 PolarHBondContact O-N 3.08Å; L316-V318 HydrophobicContact CD2-CG2 4.04Å; L316-V318 HydrophobicContact CG-CG2 4.15Å; L316-V318 PolarHBondContact O-N 3.32Å; L316-F321 HydrophobicContact CD1-CD2 3.7Å; L316-F321 HydrophobicContact CD1-CE2 4.01Å; L316-Y462 HydrophobicContact CD2-CD1 4.14Å
317	D	83.8	Confident	88.4	Confident	82 Å²	82	44.9 Å²	44.9	44%	0.439	26%	0.264	S	S	.	.			trans	-89.3	90.6	168.1	-171.2	-27.8	0	0	0	110	Q319 E320 F321	D317-Q319 PolarHBondContact O-N 3.03Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.41Å; D317-Q319 PolarHBondContact OD1-N 3.38Å; D317-E320 HydrophobicContact CB-CB 4.11Å; D317-E320 PolarHBondContact O-N 2.99Å; D317-E320 PolarHBondContact OD1-N 3.24Å; D317-F321 WeakPolarHBondContact O-CD2 3.31Å; D317-F321 PolarHBondContact O-N 3.43Å; D317-F321 VanDerWaalsContact O-N 3.13Å
318	V	82.2	Confident	88.5	Confident	32 Å²	32	44.9 Å²	44.9	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-32.7	179.5	176.7	0	0	0	0	111.7	M283 L316 S322	M283-V318 HydrophobicContact CE-CG1 4.36Å; M283-V318 HydrophobicContact CG-CG1 4.17Å; L316-V318 HydrophobicContact CD2-CG2 4.04Å; L316-V318 HydrophobicContact CG-CG2 4.15Å; L316-V318 PolarHBondContact O-N 3.32Å; V318-S322 WeakPolarHBondContact O-CB 3.43Å; V318-S322 PolarHBondContact O-N 2.97Å; V318-S322 PolarHBondContact O-OG 3.23Å
319	Q	82.7	Confident	88.7	Confident	135 Å²	135	43 Å²	43	63%	0.631	26%	0.256	S	S	*	.	H	α-helix	trans	-77.5	-31.6	-176.4	-172.7	58.4	91.5	0	0	112.7	D317 S322	D317-Q319 PolarHBondContact O-N 3.03Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.41Å; D317-Q319 PolarHBondContact OD1-N 3.38Å; Q319-S322 PolarHBondContact O-OG 3.12Å
320	E	86.6	Confident	89	Confident	85 Å²	85	40.9 Å²	40.9	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-50.5	170.1	-172	-177.1	174.2	0	0	111.1	K306 D317 T323	K306-E320 WeakPolarHBondContact CE-OE2 3.12Å; K306-E320 IonicContact NZ-OE1 2.59Å; K306-E320 PolarHBondContact NZ-OE1 3.32Å; K306-E320 IonicContact NZ-OE2 2.9Å; K306-E320 PolarHBondContact NZ-OE2 2.97Å; D317-E320 HydrophobicContact CB-CB 4.11Å; D317-E320 PolarHBondContact O-N 2.99Å; D317-E320 PolarHBondContact OD1-N 3.24Å; E320-T323 PolarHBondContact O-N 3.38Å; E320-T323 PolarHBondContact O-OG1 2.91Å
321	F	86.7	Confident	89.3	Confident	15 Å²	15	40.3 Å²	40.3	7%	0.066	24%	0.236	C	C	.	.	H	α-helix	trans	-78.7	-25.2	-168.4	-65.2	-62.3	0	0	0	114.6	M283 K306 L307 S310 L316 D317 T323 D324	M283-F321 HydrophobicContact CE-CB 3.53Å; K306-F321 HydrophobicContact CB-CE1 4.49Å; K306-F321 HydrophobicContact CD-CE1 4.13Å; K306-F321 HydrophobicContact CD-CZ 4.21Å; K306-F321 HydrophobicContact CG-CE1 4.06Å; K306-F321 HydrophobicContact CG-CZ 3.99Å; L307-F321 HydrophobicContact CB-CD1 3.97Å; L307-F321 HydrophobicContact CB-CE1 3.77Å; L307-F321 HydrophobicContact CB-CZ 4.23Å; L307-F321 HydrophobicContact CD1-CB 4.31Å; L307-F321 HydrophobicContact CD1-CD1 4.02Å; L307-F321 HydrophobicContact CD1-CD2 3.69Å; L307-F321 HydrophobicContact CD1-CE1 4.2Å; L307-F321 HydrophobicContact CD1-CE2 3.9Å; L307-F321 HydrophobicContact CD1-CG 3.76Å; L307-F321 HydrophobicContact CD1-CZ 4.14Å; L307-F321 HydrophobicContact CD2-CD1 4.47Å; L307-F321 HydrophobicContact CG-CD1 4.37Å; S310-F321 WeakPolarHBondContact OG-CE2 3.4Å; L316-F321 HydrophobicContact CD1-CD2 3.7Å; L316-F321 HydrophobicContact CD1-CE2 4.01Å; D317-F321 WeakPolarHBondContact O-CD2 3.31Å; D317-F321 PolarHBondContact O-N 3.43Å; D317-F321 VanDerWaalsContact O-N 3.13Å; F321-T323 PolarHBondContact O-N 3.28Å; F321-D324 PolarHBondContact O-N 3.4Å
322	S	84.9	Confident	89.6	Confident	30 Å²	30	40.2 Å²	40.2	21%	0.21	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.5	173.1	47.4	0	0	0	0	114.1	C287 V318 Q319 D324	C287-S322 PolarHBondContact SG-O 2.95Å; V318-S322 WeakPolarHBondContact O-CB 3.43Å; V318-S322 PolarHBondContact O-N 2.97Å; V318-S322 PolarHBondContact O-OG 3.23Å; Q319-S322 PolarHBondContact O-OG 3.12Å; S322-D324 PolarHBondContact O-N 3.4Å
323	T	87.9	Confident	90	Very high	101 Å²	101	40.6 Å²	40.6	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.6	173.6	68.3	0	0	0	0	114.8	E320 F321	E320-T323 PolarHBondContact O-N 3.38Å; E320-T323 PolarHBondContact O-OG1 2.91Å; F321-T323 PolarHBondContact O-N 3.28Å
324	D	92.8	Very high	90.6	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.139	22%	0.218	C	C	.	.			trans	-146.7	83.3	178	-162	-46.9	0	0	0	112.1	K303 F321 S322 H326 A327 I328	K303-D324 HydrophobicContact CD-CB 4.11Å; K303-D324 WeakPolarHBondContact CD-OD2 3.42Å; K303-D324 WeakPolarHBondContact CE-OD2 3.39Å; K303-D324 IonicContact NZ-OD2 3.84Å; K303-D324 PolarHBondContact NZ-OD2 2.99Å; F321-D324 PolarHBondContact O-N 3.4Å; S322-D324 PolarHBondContact O-N 3.4Å; D324-H326 PolarHBondContact O-N 3.09Å; D324-H326 PolarHBondContact OD1-N 2.88Å; D324-A327 HydrophobicContact CB-CB 3.88Å; D324-A327 WeakPolarHBondContact O-CB 3.3Å; D324-A327 PolarHBondContact O-N 3.46Å; D324-A327 WeakPolarHBondContact OD1-CB 3.43Å; D324-A327 PolarHBondContact OD1-N 3.29Å; D324-I328 PolarHBondContact O-N 2.98Å
325	P	95.4	Very high	91.4	Very high	11 Å²	11	36 Å²	36	7%	0.071	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-28.9	179	-24	34.3	0	0	0	113.7	L284 E291 L294 I328 A329	L284-P325 HydrophobicContact CD2-CB 4.05Å; E291-P325 HydrophobicContact CB-CB 4.13Å; E291-P325 HydrophobicContact CB-CG 4.35Å; E291-P325 HydrophobicContact CG-CB 4.06Å; E291-P325 HydrophobicContact CG-CG 4.25Å; L294-P325 HydrophobicContact CD2-CB 3.81Å; P325-I328 PolarHBondContact O-N 2.89Å; P325-A329 WeakPolarHBondContact O-CB 3.26Å; P325-A329 PolarHBondContact O-N 3.21Å
326	H	96.6	Very high	92.1	Very high	37 Å²	37	31.1 Å²	31.1	17%	0.171	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-36.5	173.4	-58	-30.8	0	0	0	112.2	E292 P299 D324 G330	E292-H326 PolarHBondContact O-CE1 2.77Å; P299-H326 HydrophobicContact CB-CB 4.14Å; P299-H326 WeakPolarHBondContact CG-O 3.36Å; D324-H326 PolarHBondContact O-N 3.09Å; D324-H326 PolarHBondContact OD1-N 2.88Å; H326-G330 WeakPolarHBondContact O-CA 3.47Å; H326-G330 PolarHBondContact O-N 2.94Å
327	A	96.3	Very high	92.7	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-39.5	175.4	0	0	0	0	0	111.4	P299 K303 D324 G330 A331	P299-A327 HydrophobicContact CB-CB 4.12Å; K303-A327 HydrophobicContact CB-CB 4.24Å; D324-A327 HydrophobicContact CB-CB 3.88Å; D324-A327 WeakPolarHBondContact O-CB 3.3Å; D324-A327 PolarHBondContact O-N 3.46Å; D324-A327 WeakPolarHBondContact OD1-CB 3.43Å; D324-A327 PolarHBondContact OD1-N 3.29Å; A327-G330 PolarHBondContact O-N 2.3Å; A327-A331 WeakPolarHBondContact O-CB 3.38Å; A327-A331 PolarHBondContact O-N 3.24Å
328	I	96.9	Very high	93.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-51.4	177.5	-54.9	163.7	0	0	0	110.8	C280 M283 L284 L307 D324 P325 G330 A331 L332	C280-I328 HydrophobicContact CB-CG2 3.72Å; C280-I328 WeakPolarHBondContact O-CG2 3.24Å; M283-I328 HydrophobicContact CB-CD1 3.99Å; M283-I328 HydrophobicContact CB-CG2 4.22Å; M283-I328 HydrophobicContact CE-CD1 3.48Å; M283-I328 VanDerWaalsContact CE-CD1 3.48Å; M283-I328 HydrophobicContact CE-CG1 3.96Å; M283-I328 HydrophobicContact SD-CD1 4.37Å; L284-I328 HydrophobicContact CD1-CG2 4.25Å; L284-I328 HydrophobicContact CD2-CB 4.07Å; L284-I328 HydrophobicContact CD2-CG2 4.15Å; L284-I328 HydrophobicContact CG-CB 4.26Å; L284-I328 HydrophobicContact CG-CG2 3.77Å; L307-I328 HydrophobicContact CD2-CB 4.31Å; L307-I328 HydrophobicContact CD2-CG1 3.96Å; D324-I328 PolarHBondContact O-N 2.98Å; P325-I328 PolarHBondContact O-N 2.89Å; I328-G330 PolarHBondContact O-N 3.03Å; I328-A331 PolarHBondContact O-N 2.85Å; I328-A331 VanDerWaalsContact O-N 3.1Å; I328-L332 PolarHBondContact O-N 2.83Å
329	A	97.4	Very high	93.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-37	174.7	0	0	0	0	0	112.1	L284 L294 F295 P325 K333	L284-A329 HydrophobicContact CD1-CB 4.12Å; L284-A329 HydrophobicContact CD2-CB 4.44Å; L294-A329 HydrophobicContact CB-CB 4.23Å; L294-A329 HydrophobicContact CD2-CB 4.1Å; F295-A329 HydrophobicContact CD1-CB 3.69Å; F295-A329 VanDerWaalsContact CD1-O 3.24Å; F295-A329 WeakPolarHBondContact CD1-O 3.45Å; F295-A329 HydrophobicContact CD2-CB 4.45Å; F295-A329 HydrophobicContact CE1-CB 3.64Å; F295-A329 VanDerWaalsContact CE1-O 3.3Å; F295-A329 WeakPolarHBondContact CE1-O 3.49Å; F295-A329 HydrophobicContact CE2-CB 4.39Å; F295-A329 HydrophobicContact CG-CB 4.11Å; F295-A329 HydrophobicContact CZ-CB 3.99Å; P325-A329 WeakPolarHBondContact O-CB 3.26Å; P325-A329 PolarHBondContact O-N 3.21Å; A329-K333 VanDerWaalsContact O-CB 3.27Å; A329-K333 WeakPolarHBondContact O-CB 3.49Å; A329-K333 PolarHBondContact O-N 3.21Å
330	G	97.2	Very high	94.3	Very high	12 Å²	12	29.6 Å²	29.6	12%	0.124	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-40.4	173.2	0	0	0	0	0	113.4	L304 H326 A327 I328 S334	L304-G330 VanDerWaalsContact CD1-C 3.43Å; H326-G330 WeakPolarHBondContact O-CA 3.47Å; H326-G330 PolarHBondContact O-N 2.94Å; A327-G330 PolarHBondContact O-N 2.3Å; I328-G330 PolarHBondContact O-N 3.03Å; G330-S334 WeakPolarHBondContact O-CB 3.41Å; G330-S334 PolarHBondContact O-N 3.31Å
331	A	97.2	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-49.3	177.7	0	0	0	0	0	111	Y258 L304 L307 L311 A327 I328 K333 S334 Y335	Y258-A331 PolarHBondContact OH-O 3.15Å; Y258-A331 VanDerWaalsContact OH-O 3.13Å; L304-A331 HydrophobicContact CD1-CB 4.04Å; L304-A331 VanDerWaalsContact CD1-N 3.33Å; L307-A331 HydrophobicContact CD2-CB 3.74Å; L307-A331 HydrophobicContact CG-CB 3.88Å; L311-A331 HydrophobicContact CD1-CB 4.16Å; A327-A331 WeakPolarHBondContact O-CB 3.38Å; A327-A331 PolarHBondContact O-N 3.24Å; I328-A331 PolarHBondContact O-N 2.85Å; I328-A331 VanDerWaalsContact O-N 3.1Å; A331-K333 PolarHBondContact O-N 3.23Å; A331-S334 CarbonylContact O-C 3.58Å; A331-S334 WeakPolarHBondContact O-CA 3.29Å; A331-S334 WeakPolarHBondContact O-CB 3.31Å; A331-S334 PolarHBondContact O-N 3.16Å; A331-Y335 PolarHBondContact O-N 2.87Å
332	L	97.6	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.7	-50	173.5	179	51.4	0	0	0	112.3	I277 C280 V281 F295 I328 S334 Y335 L336 L386	I277-L332 HydrophobicContact CB-CD1 4.29Å; I277-L332 HydrophobicContact CG1-CD1 3.94Å; I277-L332 HydrophobicContact CG2-CD1 4.48Å; C280-L332 HydrophobicContact CB-CB 3.75Å; C280-L332 HydrophobicContact CB-CD1 4.48Å; C280-L332 HydrophobicContact CB-CD2 4.14Å; C280-L332 HydrophobicContact CB-CG 4.35Å; V281-L332 HydrophobicContact CG2-CD2 4.06Å; F295-L332 HydrophobicContact CE1-CB 4.29Å; F295-L332 HydrophobicContact CE1-CD2 3.98Å; F295-L332 HydrophobicContact CE1-CG 4.24Å; F295-L332 HydrophobicContact CZ-CD2 4.03Å; I328-L332 PolarHBondContact O-N 2.83Å; L332-S334 VanDerWaalsContact C-N 3.27Å; L332-S334 PolarHBondContact O-N 2.94Å; L332-Y335 PolarHBondContact O-N 2.99Å; L332-L336 HydrophobicContact CD1-CD1 4.13Å; L332-L336 HydrophobicContact CD1-CG 4.35Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 WeakPolarHBondContact O-CG 3.34Å; L332-L336 PolarHBondContact O-N 3.35Å; L332-L336 VanDerWaalsContact O-N 3.12Å; L332-L386 HydrophobicContact CD2-CD1 4.18Å
333	K	97	Very high	95.7	Very high	45 Å²	45	27.1 Å²	27.1	20%	0.196	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-30.6	176.1	175.6	167.5	168.5	165.8	0	113.3	F295 A329 A331 R337 V410 L411	F295-K333 HydrophobicContact CB-CD 4.36Å; F295-K333 HydrophobicContact CD1-CB 4.13Å; F295-K333 PolarHBondContact O-NZ 3.33Å; A329-K333 VanDerWaalsContact O-CB 3.27Å; A329-K333 WeakPolarHBondContact O-CB 3.49Å; A329-K333 PolarHBondContact O-N 3.21Å; A331-K333 PolarHBondContact O-N 3.23Å; K333-R337 PolarHBondContact O-N 3.34Å; K333-R337 PolarHBondContact O-NH1 3.28Å; K333-R337 VanDerWaalsContact O-NH1 3.16Å; K333-V410 WeakPolarHBondContact CE-O 3.34Å; K333-V410 PolarHBondContact NZ-O 2.94Å; K333-L411 HydrophobicContact CB-CD2 3.94Å; K333-L411 HydrophobicContact CD-CD2 4.11Å; K333-L411 HydrophobicContact CG-CD2 4Å
334	S	96.8	Very high	96.1	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.049	11%	0.112	C	C	.	.	H	α-helix	trans	-74.3	-36.9	174	-132.3	0	0	0	0	112	G330 A331 L332 R337 E338	G330-S334 WeakPolarHBondContact O-CB 3.41Å; G330-S334 PolarHBondContact O-N 3.31Å; A331-S334 CarbonylContact O-C 3.58Å; A331-S334 WeakPolarHBondContact O-CA 3.29Å; A331-S334 WeakPolarHBondContact O-CB 3.31Å; A331-S334 PolarHBondContact O-N 3.16Å; L332-S334 VanDerWaalsContact C-N 3.27Å; L332-S334 PolarHBondContact O-N 2.94Å; S334-R337 PolarHBondContact OG-NH2 3.15Å; S334-E338 WeakPolarHBondContact CB-OE1 3.31Å; S334-E338 WeakPolarHBondContact O-CB 3.49Å; S334-E338 VanDerWaalsContact O-CD 3.3Å; S334-E338 WeakPolarHBondContact O-CG 3.44Å; S334-E338 PolarHBondContact O-N 3.4Å; S334-E338 VanDerWaalsContact O-N 3.09Å; S334-E338 PolarHBondContact OG-OE1 2.84Å
335	Y	97.3	Very high	96.2	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-52.6	176.6	168.3	-101.4	0	0	0	110.7	C257 Y258 L262 H265 A274 P276 I277 A331 L332 R337 E338 L339	C257-Y335 HydrophobicContact CB-CE2 4.22Å; Y258-Y335 HydrophobicContact CD1-CD2 4.43Å; Y258-Y335 HydrophobicContact CD2-CD2 4.49Å; Y258-Y335 VanDerWaalsContact CE1-CB 3.49Å; Y258-Y335 VanDerWaalsContact CE1-N 3.29Å; Y258-Y335 HydrophobicContact CG-CD2 4.44Å; L262-Y335 WeakPolarHBondContact CD1-OH 3.44Å; H265-Y335 AromaticContact CE1-CZ 3.87Å; H265-Y335 PolarHBondContact CE1-OH 2.79Å; H265-Y335 AromaticContact NE2-CE2 3.36Å; H265-Y335 WeakPolarHBondContact NE2-CE2 3.3Å; H265-Y335 AromaticContact NE2-CZ 3.12Å; H265-Y335 PolarHBondContact NE2-OH 3.07Å; A274-Y335 HydrophobicContact CB-CE1 4.13Å; A274-Y335 VanDerWaalsContact CB-OH 3.31Å; A274-Y335 WeakPolarHBondContact CB-OH 3.27Å; P276-Y335 HydrophobicContact CB-CD1 4.22Å; P276-Y335 HydrophobicContact CB-CD2 3.79Å; P276-Y335 HydrophobicContact CB-CE2 4.28Å; P276-Y335 HydrophobicContact CB-CG 3.75Å; P276-Y335 HydrophobicContact CG-CD2 3.77Å; P276-Y335 HydrophobicContact CG-CE2 3.94Å; P276-Y335 HydrophobicContact CG-CG 4.26Å; I277-Y335 HydrophobicContact CD1-CD1 4.37Å; I277-Y335 HydrophobicContact CD1-CE1 3.81Å; I277-Y335 HydrophobicContact CG1-CD1 3.83Å; I277-Y335 HydrophobicContact CG1-CE1 3.6Å; A331-Y335 PolarHBondContact O-N 2.87Å; L332-Y335 PolarHBondContact O-N 2.99Å; Y335-R337 VanDerWaalsContact C-N 3.29Å; Y335-R337 PolarHBondContact O-N 3.18Å; Y335-E338 CarbonylContact O-C 3.59Å; Y335-E338 PolarHBondContact O-N 3.4Å; Y335-L339 HydrophobicContact CE1-CD1 4.48Å; Y335-L339 HydrophobicContact CE1-CD2 4.33Å; Y335-L339 HydrophobicContact CE2-CD2 4.04Å; Y335-L339 PolarHBondContact O-N 3.22Å
336	L	97.2	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-39.4	-177.7	-64.5	165.5	0	0	0	112.7	I277 L332 L343 L386 L411 N414 L415 W417	I277-L336 HydrophobicContact CD1-CD2 3.98Å; I277-L336 HydrophobicContact CG1-CD2 4.43Å; L332-L336 HydrophobicContact CD1-CD1 4.13Å; L332-L336 HydrophobicContact CD1-CG 4.35Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 WeakPolarHBondContact O-CG 3.34Å; L332-L336 PolarHBondContact O-N 3.35Å; L332-L336 VanDerWaalsContact O-N 3.12Å; L336-L343 HydrophobicContact CD2-CD2 3.83Å; L336-L386 HydrophobicContact CD1-CD2 3.72Å; L336-L386 HydrophobicContact CD2-CD2 4.13Å; L336-L411 HydrophobicContact CD1-CD2 4.43Å; L336-N414 CarbonylContact C-O 3.31Å; L336-N414 HydrophobicContact CB-CB 4.34Å; L336-N414 VanDerWaalsContact CB-O 3.31Å; L336-N414 WeakPolarHBondContact CB-O 3.44Å; L336-L415 HydrophobicContact CD1-CD2 4.09Å; L336-L415 HydrophobicContact CD2-CD2 4.13Å; L336-W417 WeakPolarHBondContact O-CH2 3.22Å
337	R	95.4	Very high	96.1	Very high	108 Å²	108	28.6 Å²	28.6	41%	0.408	14%	0.139	S	C	.	.	H	α-helix	trans	-76.9	-18.9	176.5	-165.9	180	59.4	-92	-11	114.2	K333 S334 Y335 N414	K333-R337 PolarHBondContact O-N 3.34Å; K333-R337 PolarHBondContact O-NH1 3.28Å; K333-R337 VanDerWaalsContact O-NH1 3.16Å; S334-R337 PolarHBondContact OG-NH2 3.15Å; Y335-R337 VanDerWaalsContact C-N 3.29Å; Y335-R337 PolarHBondContact O-N 3.18Å; R337-N414 HydrophobicContact CB-CB 3.95Å; R337-N414 WeakPolarHBondContact CD-OD1 3.31Å; R337-N414 PolarHBondContact NH1-OD1 2.61Å; R337-N414 VanDerWaalsContact NH1-OD1 3.07Å
338	E	95.2	Very high	96.1	Very high	59 Å²	59	29 Å²	29	28%	0.276	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	7.5	-176.5	-68.3	170	-135.3	0	0	112.5	G259 K308 S334 Y335	G259-E338 WeakPolarHBondContact CA-O 3.46Å; G259-E338 PolarHBondContact N-O 2.94Å; G259-E338 VanDerWaalsContact N-O 3.08Å; K308-E338 IonicContact NZ-OE1 2.66Å; K308-E338 PolarHBondContact NZ-OE1 3.43Å; K308-E338 IonicContact NZ-OE2 2.68Å; K308-E338 PolarHBondContact NZ-OE2 2.97Å; S334-E338 WeakPolarHBondContact CB-OE1 3.31Å; S334-E338 WeakPolarHBondContact O-CB 3.49Å; S334-E338 VanDerWaalsContact O-CD 3.3Å; S334-E338 WeakPolarHBondContact O-CG 3.44Å; S334-E338 PolarHBondContact O-N 3.4Å; S334-E338 VanDerWaalsContact O-N 3.09Å; S334-E338 PolarHBondContact OG-OE1 2.84Å; Y335-E338 CarbonylContact O-C 3.59Å; Y335-E338 PolarHBondContact O-N 3.4Å
339	L	94.9	Very high	96	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.047	15%	0.147	C	C	.	.	S	Bend	trans	-63.6	141.2	160.6	-67.5	172.5	0	0	0	109.5	L262 Y335 E341 L343 W417	L262-L339 HydrophobicContact CB-CD2 4.48Å; Y335-L339 HydrophobicContact CE1-CD1 4.48Å; Y335-L339 HydrophobicContact CE1-CD2 4.33Å; Y335-L339 HydrophobicContact CE2-CD2 4.04Å; Y335-L339 PolarHBondContact O-N 3.22Å; L339-E341 WeakPolarHBondContact CB-O 3.27Å; L339-E341 PolarHBondContact O-N 2.96Å; L339-L343 HydrophobicContact CD1-CB 4.34Å; L339-W417 WeakPolarHBondContact O-CZ2 3.41Å
340	P	93.7	Very high	95.7	Very high	73 Å²	73	35.3 Å²	35.3	47%	0.474	17%	0.173	S	C	.	.	S	Bend	trans	-62.3	-19.8	174.3	-25.5	35.8	0	0	0	114.4	K260 P261 F346	K260-P340 WeakPolarHBondContact O-CD 3.41Å; P261-P340 HydrophobicContact CG-CG 4.32Å; P340-F346 WeakPolarHBondContact O-CE2 3.26Å
341	E	93.8	Very high	95.7	Very high	78 Å²	78	37.2 Å²	37.2	36%	0.364	18%	0.18	S	C	.	.	S	Bend	trans	-136.8	141.1	177.1	161.2	156.1	-147.8	0	0	109	L339 T345 F346	L339-E341 WeakPolarHBondContact CB-O 3.27Å; L339-E341 PolarHBondContact O-N 2.96Å; E341-T345 VanDerWaalsContact OE1-CA 3.31Å; E341-T345 WeakPolarHBondContact OE1-CA 3.32Å; E341-T345 WeakPolarHBondContact OE1-CB 3.42Å; E341-F346 VanDerWaalsContact CA-CE2 3.49Å; E341-F346 HydrophobicContact CB-CD2 3.81Å; E341-F346 HydrophobicContact CB-CE2 3.67Å; E341-F346 HydrophobicContact CG-CD2 3.68Å; E341-F346 HydrophobicContact CG-CE2 4.05Å; E341-F346 HydrophobicContact CG-CG 4.4Å; E341-F346 PolarHBondContact OE1-N 3.36Å
342	P	95.4	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.			trans	-52.6	145.3	174.7	17.1	-30.4	0	0	0	112.2	M344 T345 F346 L415 W417	P342-M344 PolarHBondContact O-N 3.05Å; P342-T345 WeakPolarHBondContact O-CA 3.21Å; P342-T345 PolarHBondContact O-N 2.86Å; P342-F346 HydrophobicContact CG-CD1 3.79Å; P342-F346 HydrophobicContact CG-CE1 3.88Å; P342-F346 HydrophobicContact CG-CG 4.17Å; P342-F346 HydrophobicContact CG-CZ 4.33Å; P342-L415 WeakPolarHBondContact CB-O 3.37Å; P342-W417 VanDerWaalsContact CA-CH2 3.49Å; P342-W417 HydrophobicContact CB-CD2 3.98Å; P342-W417 HydrophobicContact CB-CE3 3.75Å; P342-W417 HydrophobicContact CB-CH2 4.11Å; P342-W417 HydrophobicContact CB-CZ2 4.33Å; P342-W417 HydrophobicContact CB-CZ3 3.81Å; P342-W417 HydrophobicContact CG-CD2 4.26Å
343	L	96.9	Very high	95.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.5	175.3	-178.4	59	0	0	0	111.9	L262 L336 L339 N379 N382 F383 L386 L415	L262-L343 HydrophobicContact CD2-CD1 3.82Å; L336-L343 HydrophobicContact CD2-CD2 3.83Å; L339-L343 HydrophobicContact CD1-CB 4.34Å; L343-N379 HydrophobicContact CD1-CB 4.49Å; L343-N379 WeakPolarHBondContact O-CB 3.36Å; L343-N379 PolarHBondContact O-ND2 3.25Å; L343-N382 HydrophobicContact CD1-CB 3.94Å; L343-F383 HydrophobicContact CD2-CB 4.21Å; L343-F383 HydrophobicContact CD2-CD2 4.29Å; L343-F383 HydrophobicContact CG-CB 4.25Å; L343-L386 HydrophobicContact CD2-CD2 4.33Å; L343-L415 HydrophobicContact CB-CD2 4.31Å; L343-L415 HydrophobicContact CD2-CD2 4.06Å; L343-L415 PolarHBondContact N-O 2.92Å
344	M	97.1	Very high	95.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.4	176.3	-61.9	176.1	66.8	0	0	114.9	P342 W352 F383 L415 L416 I438 I439	P342-M344 PolarHBondContact O-N 3.05Å; M344-W352 HydrophobicContact CB-CZ2 4.4Å; M344-W352 HydrophobicContact CE-CD2 3.44Å; M344-W352 VanDerWaalsContact CE-CD2 3.44Å; M344-W352 VanDerWaalsContact CE-CE2 3.43Å; M344-W352 HydrophobicContact CE-CE3 3.61Å; M344-W352 HydrophobicContact CE-CG 4.04Å; M344-W352 HydrophobicContact CE-CH2 3.8Å; M344-W352 HydrophobicContact CE-CZ2 3.64Å; M344-W352 HydrophobicContact CE-CZ3 3.79Å; M344-W352 PolarHBondContact O-NE1 3.09Å; M344-F383 HydrophobicContact CE-CE2 4.36Å; M344-F383 HydrophobicContact CE-CZ 4.05Å; M344-F383 HydrophobicContact CG-CD2 4.01Å; M344-F383 HydrophobicContact CG-CE2 3.7Å; M344-F383 HydrophobicContact CG-CZ 4.2Å; M344-F383 HydrophobicContact SD-CE2 3.66Å; M344-F383 HydrophobicContact SD-CZ 3.96Å; M344-L415 WeakPolarHBondContact CB-O 3.37Å; M344-L415 HydrophobicContact CG-CB 4.43Å; M344-L415 WeakPolarHBondContact CG-O 3.45Å; M344-L415 PolarHBondContact N-O 2.74Å; M344-L415 VanDerWaalsContact N-O 3.15Å; M344-L415 HydrophobicContact SD-CB 3.94Å; M344-L416 HydrophobicContact CB-CB 4.43Å; M344-L416 HydrophobicContact CB-CD1 3.99Å; M344-L416 HydrophobicContact SD-CB 4.08Å; M344-I438 HydrophobicContact CE-CG2 3.8Å; M344-I439 HydrophobicContact CE-CD1 4.11Å; M344-I439 HydrophobicContact SD-CD1 3.5Å; M344-I439 VanDerWaalsContact SD-CD1 3.5Å
345	T	95.6	Very high	95.2	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.037	21%	0.205	C	C	.	.			trans	64.4	151.8	-178	72.2	0	0	0	0	116.5	E341 P342 L348 L375 P376	E341-T345 VanDerWaalsContact OE1-CA 3.31Å; E341-T345 WeakPolarHBondContact OE1-CA 3.32Å; E341-T345 WeakPolarHBondContact OE1-CB 3.42Å; P342-T345 WeakPolarHBondContact O-CA 3.21Å; P342-T345 PolarHBondContact O-N 2.86Å; T345-L348 WeakPolarHBondContact OG1-CB 3.48Å; T345-L348 WeakPolarHBondContact OG1-CG 3.32Å; T345-L348 PolarHBondContact OG1-N 2.97Å; T345-L375 HydrophobicContact CG2-CD2 4.19Å; T345-P376 HydrophobicContact CG2-CG 4.14Å
346	F	94.6	Very high	95	Very high	33 Å²	33	42.9 Å²	42.9	15%	0.145	21%	0.209	C	C	.	.	S	Bend	trans	-74.9	-33.9	169.7	-68.1	-61	0	0	0	111.6	P340 E341 P342 L348 Y349 W417 H419	P340-F346 WeakPolarHBondContact O-CE2 3.26Å; E341-F346 VanDerWaalsContact CA-CE2 3.49Å; E341-F346 HydrophobicContact CB-CD2 3.81Å; E341-F346 HydrophobicContact CB-CE2 3.67Å; E341-F346 HydrophobicContact CG-CD2 3.68Å; E341-F346 HydrophobicContact CG-CE2 4.05Å; E341-F346 HydrophobicContact CG-CG 4.4Å; E341-F346 PolarHBondContact OE1-N 3.36Å; P342-F346 HydrophobicContact CG-CD1 3.79Å; P342-F346 HydrophobicContact CG-CE1 3.88Å; P342-F346 HydrophobicContact CG-CG 4.17Å; P342-F346 HydrophobicContact CG-CZ 4.33Å; F346-L348 VanDerWaalsContact C-N 3.34Å; F346-L348 PolarHBondContact O-N 3.38Å; F346-Y349 VanDerWaalsContact O-CB 3.28Å; F346-Y349 WeakPolarHBondContact O-CB 3.44Å; F346-Y349 PolarHBondContact O-N 3.3Å; F346-W417 WeakPolarHBondContact CD1-O 3.47Å; F346-W417 AromaticContact CE1-CD1 3.74Å; F346-W417 AromaticContact CE1-NE1 3.69Å; F346-W417 WeakPolarHBondContact CE1-O 3.5Å; F346-W417 AromaticContact CZ-NE1 3.61Å; F346-H419 AromaticContact CD2-CE1 3.39Å; F346-H419 WeakPolarHBondContact CD2-CE1 3.26Å; F346-H419 AromaticContact CD2-NE2 3.34Å; F346-H419 VanDerWaalsContact CD2-NE2 3.34Å; F346-H419 WeakPolarHBondContact CD2-NE2 3.28Å; F346-H419 AromaticContact CE1-CE1 3.97Å; F346-H419 AromaticContact CE1-ND1 3.88Å; F346-H419 AromaticContact CE2-CE1 3.12Å; F346-H419 WeakPolarHBondContact CE2-CE1 3.35Å; F346-H419 AromaticContact CE2-ND1 3.77Å; F346-H419 AromaticContact CE2-NE2 3.61Å; F346-H419 AromaticContact CG-CD2 3.95Å; F346-H419 AromaticContact CG-CE1 3.91Å; F346-H419 AromaticContact CG-NE2 3.54Å; F346-H419 AromaticContact CZ-CE1 3.44Å; F346-H419 VanDerWaalsContact CZ-CE1 3.44Å; F346-H419 WeakPolarHBondContact CZ-CE1 3.47Å; F346-H419 AromaticContact CZ-ND1 3.57Å
347	E	95.2	Very high	94.8	Very high	166 Å²	166	46.7 Å²	46.7	78%	0.776	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-46.3	179.4	-177.2	171.1	-175.1	0	0	111.5	Y349	E347-Y349 VanDerWaalsContact C-N 3.32Å; E347-Y349 PolarHBondContact O-N 3.19Å
348	L	95.8	Very high	94.8	Very high	12 Å²	12	44 Å²	44	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.1	-178.7	-58.3	177.5	0	0	0	114.2	T345 F346 N350 D351 W352 K374 L375	T345-L348 WeakPolarHBondContact OG1-CB 3.48Å; T345-L348 WeakPolarHBondContact OG1-CG 3.32Å; T345-L348 PolarHBondContact OG1-N 2.97Å; F346-L348 VanDerWaalsContact C-N 3.34Å; F346-L348 PolarHBondContact O-N 3.38Å; L348-N350 VanDerWaalsContact C-N 3.25Å; L348-N350 PolarHBondContact O-N 2.79Å; L348-N350 VanDerWaalsContact O-N 3.15Å; L348-D351 WeakPolarHBondContact O-CB 3.44Å; L348-D351 PolarHBondContact O-N 3.06Å; L348-W352 VanDerWaalsContact C-CD1 3.48Å; L348-W352 PolarHBondContact O-N 2.96Å; L348-K374 HydrophobicContact CD1-CB 3.81Å; L348-K374 HydrophobicContact CD2-CB 3.71Å; L348-K374 HydrophobicContact CD2-CD 3.77Å; L348-K374 HydrophobicContact CD2-CG 4.42Å; L348-K374 HydrophobicContact CG-CB 4.43Å; L348-L375 HydrophobicContact CD1-CD2 3.82Å; L348-L375 HydrophobicContact CD1-CG 4.06Å
349	Y	94.3	Very high	94.7	Very high	29 Å²	29	49.8 Å²	49.8	11%	0.114	25%	0.25	C	C	.	.	H	α-helix	trans	-52.1	-43.5	-176	-178.4	-84.8	0	0	0	112.9	F346 E347 I353 L416 W417 T418 V431	F346-Y349 VanDerWaalsContact O-CB 3.28Å; F346-Y349 WeakPolarHBondContact O-CB 3.44Å; F346-Y349 PolarHBondContact O-N 3.3Å; E347-Y349 VanDerWaalsContact C-N 3.32Å; E347-Y349 PolarHBondContact O-N 3.19Å; Y349-I353 HydrophobicContact CD1-CG1 4.17Å; Y349-I353 HydrophobicContact CE1-CD1 4.41Å; Y349-I353 HydrophobicContact CE1-CG1 3.56Å; Y349-I353 HydrophobicContact CE2-CG1 4.35Å; Y349-I353 WeakPolarHBondContact O-CG1 3.37Å; Y349-I353 PolarHBondContact O-N 2.73Å; Y349-I353 VanDerWaalsContact O-N 3.15Å; Y349-L416 HydrophobicContact CD2-CD1 3.59Å; Y349-L416 HydrophobicContact CD2-CD2 4.32Å; Y349-L416 HydrophobicContact CD2-CG 3.76Å; Y349-L416 HydrophobicContact CE2-CD1 4.29Å; Y349-L416 HydrophobicContact CE2-CD2 4.35Å; Y349-L416 HydrophobicContact CE2-CG 3.93Å; Y349-L416 HydrophobicContact CG-CD1 4.41Å; Y349-W417 WeakPolarHBondContact CD2-O 3.47Å; Y349-T418 HydrophobicContact CD1-CG2 4.01Å; Y349-T418 HydrophobicContact CD2-CG2 4.04Å; Y349-T418 HydrophobicContact CE1-CG2 3.47Å; Y349-T418 VanDerWaalsContact CE1-CG2 3.47Å; Y349-T418 HydrophobicContact CE2-CG2 3.52Å; Y349-T418 HydrophobicContact CG-CG2 4.3Å; Y349-V431 WeakPolarHBondContact OH-CG1 3.48Å
350	N	92.6	Very high	94.8	Very high	102 Å²	102	52.3 Å²	52.3	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-69	-35.1	179.5	-69.9	-63.9	0	0	0	112.8	L348 Q354	L348-N350 VanDerWaalsContact C-N 3.25Å; L348-N350 PolarHBondContact O-N 2.79Å; L348-N350 VanDerWaalsContact O-N 3.15Å; N350-Q354 WeakPolarHBondContact O-CB 3.37Å; N350-Q354 VanDerWaalsContact O-CG 3.25Å; N350-Q354 WeakPolarHBondContact O-CG 3.43Å; N350-Q354 PolarHBondContact O-N 3.03Å
351	D	95.4	Very high	94.7	Very high	52 Å²	52	54.3 Å²	54.3	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-44.7	177.4	-77.5	14.8	0	0	0	110.7	L348 Q354 A355 A371 K374	L348-D351 WeakPolarHBondContact O-CB 3.44Å; L348-D351 PolarHBondContact O-N 3.06Å; D351-Q354 PolarHBondContact O-N 3.01Å; D351-A355 WeakPolarHBondContact O-CB 3.37Å; D351-A355 PolarHBondContact O-N 3.31Å; D351-A371 HydrophobicContact CB-CB 4.5Å; D351-K374 IonicContact OD2-NZ 2.64Å; D351-K374 PolarHBondContact OD2-NZ 3.14Å
352	W	96.1	Very high	94.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-50.1	175.3	-64.5	120.6	0	0	0	111.9	M344 L348 A355 S356 L368 A371 C372 L375 L416 I438 I442	M344-W352 HydrophobicContact CB-CZ2 4.4Å; M344-W352 HydrophobicContact CE-CD2 3.44Å; M344-W352 VanDerWaalsContact CE-CD2 3.44Å; M344-W352 VanDerWaalsContact CE-CE2 3.43Å; M344-W352 HydrophobicContact CE-CE3 3.61Å; M344-W352 HydrophobicContact CE-CG 4.04Å; M344-W352 HydrophobicContact CE-CH2 3.8Å; M344-W352 HydrophobicContact CE-CZ2 3.64Å; M344-W352 HydrophobicContact CE-CZ3 3.79Å; M344-W352 PolarHBondContact O-NE1 3.09Å; L348-W352 VanDerWaalsContact C-CD1 3.48Å; L348-W352 PolarHBondContact O-N 2.96Å; W352-A355 PolarHBondContact O-N 2.82Å; W352-S356 PolarHBondContact O-N 2.71Å; W352-L368 HydrophobicContact CE3-CD2 3.95Å; W352-L368 HydrophobicContact CZ3-CD2 4.25Å; W352-A371 HydrophobicContact CD2-CB 3.91Å; W352-A371 HydrophobicContact CE3-CB 3.62Å; W352-A371 HydrophobicContact CH2-CB 3.71Å; W352-A371 HydrophobicContact CZ2-CB 3.96Å; W352-A371 HydrophobicContact CZ3-CB 3.53Å; W352-C372 HydrophobicContact CH2-CB 4.37Å; W352-L375 HydrophobicContact CH2-CD1 4.44Å; W352-L375 HydrophobicContact CZ2-CD1 4.1Å; W352-L375 HydrophobicContact CZ2-CD2 4.2Å; W352-L375 HydrophobicContact CZ2-CG 4.14Å; W352-L416 HydrophobicContact CB-CD2 3.68Å; W352-L416 HydrophobicContact CG-CD1 4.47Å; W352-L416 HydrophobicContact CG-CD2 3.99Å; W352-I438 HydrophobicContact CB-CD1 3.91Å; W352-I438 HydrophobicContact CE3-CG2 3.93Å; W352-I438 WeakPolarHBondContact O-CD1 3.26Å; W352-I442 HydrophobicContact CZ3-CD1 3.95Å
353	I	94.2	Very high	94.8	Very high	22 Å²	22	63.4 Å²	63.4	11%	0.113	31%	0.307	C	S	.	.	H	α-helix	trans	-67.3	-37.8	179.1	-63.2	-64.4	0	0	0	111.4	Y349 S356 N357 Q434 I438	Y349-I353 HydrophobicContact CD1-CG1 4.17Å; Y349-I353 HydrophobicContact CE1-CD1 4.41Å; Y349-I353 HydrophobicContact CE1-CG1 3.56Å; Y349-I353 HydrophobicContact CE2-CG1 4.35Å; Y349-I353 WeakPolarHBondContact O-CG1 3.37Å; Y349-I353 PolarHBondContact O-N 2.73Å; Y349-I353 VanDerWaalsContact O-N 3.15Å; I353-S356 PolarHBondContact O-N 3.05Å; I353-S356 PolarHBondContact O-OG 2.97Å; I353-N357 PolarHBondContact O-N 3.24Å; I353-N357 PolarHBondContact O-ND2 3.3Å; I353-Q434 HydrophobicContact CD1-CB 3.95Å; I353-I438 HydrophobicContact CD1-CD1 4.06Å
354	Q	93.8	Very high	94.7	Very high	135 Å²	135	66.5 Å²	66.5	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-63.5	-44.1	175.1	-77.2	179.2	40.9	0	0	111.6	N350 D351 S356 N357	N350-Q354 WeakPolarHBondContact O-CB 3.37Å; N350-Q354 VanDerWaalsContact O-CG 3.25Å; N350-Q354 WeakPolarHBondContact O-CG 3.43Å; N350-Q354 PolarHBondContact O-N 3.03Å; D351-Q354 PolarHBondContact O-N 3.01Å; Q354-S356 VanDerWaalsContact C-N 3.33Å; Q354-S356 PolarHBondContact O-N 3.48Å; Q354-N357 PolarHBondContact O-N 3.12Å
355	A	95.2	Very high	94.7	Very high	3 Å²	3	67.7 Å²	67.7	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-58.9	-43	174.7	0	0	0	0	0	112	D351 W352 N357 I358 R364 A367 L368	D351-A355 WeakPolarHBondContact O-CB 3.37Å; D351-A355 PolarHBondContact O-N 3.31Å; W352-A355 PolarHBondContact O-N 2.82Å; A355-N357 PolarHBondContact O-N 3.16Å; A355-I358 WeakPolarHBondContact O-CB 3.44Å; A355-I358 WeakPolarHBondContact O-CG1 3.38Å; A355-I358 PolarHBondContact O-N 3.2Å; A355-I358 VanDerWaalsContact O-N 3.15Å; A355-R364 WeakPolarHBondContact O-CG 3.17Å; A355-A367 HydrophobicContact CB-CB 3.67Å; A355-L368 HydrophobicContact CB-CD2 3.73Å; A355-L368 HydrophobicContact CB-CG 4.04Å
356	S	93.8	Very high	94.8	Very high	13 Å²	13	72.1 Å²	72.1	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-58.4	-31.7	-179.2	90.4	0	0	0	0	113.7	W352 I353 Q354 I358	W352-S356 PolarHBondContact O-N 2.71Å; I353-S356 PolarHBondContact O-N 3.05Å; I353-S356 PolarHBondContact O-OG 2.97Å; Q354-S356 VanDerWaalsContact C-N 3.33Å; Q354-S356 PolarHBondContact O-N 3.48Å; S356-I358 VanDerWaalsContact C-N 3.34Å
357	N	92.8	Very high	94.9	Very high	80 Å²	80	72.2 Å²	72.2	43%	0.428	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.2	-176.2	-70.4	-60.9	0	0	0	113.7	I353 Q354 A355 Q359 Q434	I353-N357 PolarHBondContact O-N 3.24Å; I353-N357 PolarHBondContact O-ND2 3.3Å; Q354-N357 PolarHBondContact O-N 3.12Å; A355-N357 PolarHBondContact O-N 3.16Å; N357-Q359 PolarHBondContact O-N 3.17Å; N357-Q359 PolarHBondContact O-NE2 3.23Å; N357-Q434 PolarHBondContact ND2-NE2 3.07Å; N357-Q434 VanDerWaalsContact ND2-NE2 3.13Å; N357-Q434 PolarHBondContact OD1-NE2 2.91Å
358	I	94.8	Very high	95	Very high	52 Å²	52	64.3 Å²	64.3	27%	0.267	32%	0.315	S	S	.	.			trans	-68.5	118.8	177	-58.8	175.4	0	0	0	109.5	A355 S356 D360 K363 R364 A367	A355-I358 WeakPolarHBondContact O-CB 3.44Å; A355-I358 WeakPolarHBondContact O-CG1 3.38Å; A355-I358 PolarHBondContact O-N 3.2Å; A355-I358 VanDerWaalsContact O-N 3.15Å; S356-I358 VanDerWaalsContact C-N 3.34Å; I358-D360 VanDerWaalsContact C-N 3.35Å; I358-D360 HydrophobicContact CG2-CB 4.2Å; I358-D360 WeakPolarHBondContact CG2-O 3.5Å; I358-K363 HydrophobicContact CG2-CB 3.83Å; I358-R364 HydrophobicContact CB-CB 4.04Å; I358-R364 HydrophobicContact CG2-CB 4.23Å; I358-A367 HydrophobicContact CD1-CB 3.55Å
359	Q	93.1	Very high	95.1	Very high	180 Å²	180	65.2 Å²	65.2	84%	0.841	32%	0.319	S	S	*	.	S	Bend	trans	-73	-27.9	-178	-57.8	-60	-63.3	0	0	113.1	N357	N357-Q359 PolarHBondContact O-N 3.17Å; N357-Q359 PolarHBondContact O-NE2 3.23Å
360	D	96	Very high	95.2	Very high	61 Å²	61	65 Å²	65	33%	0.326	33%	0.326	S	S	.	.	S	Bend	trans	-80.4	115.9	178.2	-179.6	-58.6	0	0	0	109.8	I358 E362 K363 R364	I358-D360 VanDerWaalsContact C-N 3.35Å; I358-D360 HydrophobicContact CG2-CB 4.2Å; I358-D360 WeakPolarHBondContact CG2-O 3.5Å; D360-E362 VanDerWaalsContact C-N 3.35Å; D360-E362 PolarHBondContact O-N 2.9Å; D360-E362 PolarHBondContact OD1-N 3.3Å; D360-K363 HydrophobicContact CB-CB 4.07Å; D360-K363 HydrophobicContact CB-CD 4.11Å; D360-K363 HydrophobicContact CB-CG 4.25Å; D360-K363 PolarHBondContact O-N 3.49Å; D360-K363 WeakPolarHBondContact OD1-CG 3.3Å; D360-K363 PolarHBondContact OD1-N 2.7Å; D360-K363 IonicContact OD1-NZ 2.65Å; D360-K363 IonicContact OD2-NZ 3.32Å; D360-K363 PolarHBondContact OD2-NZ 2.98Å; D360-R364 WeakPolarHBondContact O-CB 3.32Å; D360-R364 PolarHBondContact O-N 3.21Å
361	Q	93.2	Very high	95.4	Very high	116 Å²	116	60.3 Å²	60.3	54%	0.542	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-39.2	-171.9	-180	173.5	-8.3	0	0	113	R364 L365	Q361-R364 PolarHBondContact O-N 2.96Å; Q361-L365 HydrophobicContact CG-CD1 4.33Å; Q361-L365 WeakPolarHBondContact O-CG 3.33Å; Q361-L365 PolarHBondContact O-N 3.42Å
362	E	94.4	Very high	95.4	Very high	141 Å²	141	58 Å²	58	66%	0.659	29%	0.289	S	S	*	.	H	α-helix	trans	-70.6	-46.9	-179.1	-174	174.6	-162.2	0	0	110.4	D360 R364 L365 Q366	D360-E362 VanDerWaalsContact C-N 3.35Å; D360-E362 PolarHBondContact O-N 2.9Å; D360-E362 PolarHBondContact OD1-N 3.3Å; E362-R364 VanDerWaalsContact C-N 3.26Å; E362-R364 PolarHBondContact O-N 3.47Å; E362-L365 PolarHBondContact O-N 3.46Å; E362-Q366 VanDerWaalsContact O-CG 3.32Å; E362-Q366 WeakPolarHBondContact O-CG 3.41Å; E362-Q366 PolarHBondContact O-N 3.26Å
363	K	95.8	Very high	95.4	Very high	127 Å²	127	65 Å²	65	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-62.5	-33.5	175.2	-64.8	-179.9	-173.3	79.5	0	112.1	I358 D360 A367	I358-K363 HydrophobicContact CG2-CB 3.83Å; D360-K363 HydrophobicContact CB-CB 4.07Å; D360-K363 HydrophobicContact CB-CD 4.11Å; D360-K363 HydrophobicContact CB-CG 4.25Å; D360-K363 PolarHBondContact O-N 3.49Å; D360-K363 WeakPolarHBondContact OD1-CG 3.3Å; D360-K363 PolarHBondContact OD1-N 2.7Å; D360-K363 IonicContact OD1-NZ 2.65Å; D360-K363 IonicContact OD2-NZ 3.32Å; D360-K363 PolarHBondContact OD2-NZ 2.98Å; K363-A367 WeakPolarHBondContact O-CB 3.41Å; K363-A367 PolarHBondContact O-N 3Å
364	R	96	Very high	95.5	Very high	67 Å²	67	69.7 Å²	69.7	25%	0.253	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-48.2	172.7	-179.5	167.4	71.7	-164.8	4.8	111.7	A355 I358 D360 Q361 E362 Q366 A367 L368	A355-R364 WeakPolarHBondContact O-CG 3.17Å; I358-R364 HydrophobicContact CB-CB 4.04Å; I358-R364 HydrophobicContact CG2-CB 4.23Å; D360-R364 WeakPolarHBondContact O-CB 3.32Å; D360-R364 PolarHBondContact O-N 3.21Å; Q361-R364 PolarHBondContact O-N 2.96Å; E362-R364 VanDerWaalsContact C-N 3.26Å; E362-R364 PolarHBondContact O-N 3.47Å; R364-Q366 VanDerWaalsContact C-N 3.33Å; R364-Q366 PolarHBondContact O-N 3.48Å; R364-A367 PolarHBondContact O-N 3.48Å; R364-L368 HydrophobicContact CG-CD1 4.02Å; R364-L368 HydrophobicContact CG-CG 4.37Å; R364-L368 WeakPolarHBondContact O-CB 3.49Å; R364-L368 VanDerWaalsContact O-CG 3.3Å; R364-L368 WeakPolarHBondContact O-CG 3.29Å; R364-L368 PolarHBondContact O-N 2.94Å
365	L	96.3	Very high	95.7	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.131	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-42.6	177.9	-71	171.2	0	0	0	111.5	Q361 E362 L368 L369 P441 W448 F449	Q361-L365 HydrophobicContact CG-CD1 4.33Å; Q361-L365 WeakPolarHBondContact O-CG 3.33Å; Q361-L365 PolarHBondContact O-N 3.42Å; E362-L365 PolarHBondContact O-N 3.46Å; L365-L368 PolarHBondContact O-N 2.98Å; L365-L369 WeakPolarHBondContact O-CB 3.47Å; L365-L369 PolarHBondContact O-N 2.79Å; L365-P441 HydrophobicContact CD2-CB 3.93Å; L365-W448 HydrophobicContact CB-CH2 4.06Å; L365-W448 HydrophobicContact CB-CZ3 3.93Å; L365-F449 HydrophobicContact CD2-CE2 3.84Å; L365-F449 HydrophobicContact CD2-CZ 3.8Å
366	Q	97	Very high	95.8	Very high	99 Å²	99	66.6 Å²	66.6	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-41.4	175	-65.4	-68.3	-12.7	0	0	112.6	E362 R364 L369 G370	E362-Q366 VanDerWaalsContact O-CG 3.32Å; E362-Q366 WeakPolarHBondContact O-CG 3.41Å; E362-Q366 PolarHBondContact O-N 3.26Å; R364-Q366 VanDerWaalsContact C-N 3.33Å; R364-Q366 PolarHBondContact O-N 3.48Å; Q366-L369 PolarHBondContact O-N 3.43Å; Q366-G370 PolarHBondContact O-N 3.29Å
367	A	97.3	Very high	95.8	Very high	35 Å²	35	70.4 Å²	70.4	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-38.3	176.6	0	0	0	0	0	112.7	A355 I358 K363 R364 L369 A371	A355-A367 HydrophobicContact CB-CB 3.67Å; I358-A367 HydrophobicContact CD1-CB 3.55Å; K363-A367 WeakPolarHBondContact O-CB 3.41Å; K363-A367 PolarHBondContact O-N 3Å; R364-A367 PolarHBondContact O-N 3.48Å; A367-L369 VanDerWaalsContact C-N 3.34Å; A367-A371 PolarHBondContact O-N 2.83Å; A367-A371 VanDerWaalsContact O-N 3.14Å
368	L	97.7	Very high	96	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-36.7	172.9	-70.1	173.4	0	0	0	111.6	W352 A355 R364 L365 A371 C372 I438 P441 I442 F449	W352-L368 HydrophobicContact CE3-CD2 3.95Å; W352-L368 HydrophobicContact CZ3-CD2 4.25Å; A355-L368 HydrophobicContact CB-CD2 3.73Å; A355-L368 HydrophobicContact CB-CG 4.04Å; R364-L368 HydrophobicContact CG-CD1 4.02Å; R364-L368 HydrophobicContact CG-CG 4.37Å; R364-L368 WeakPolarHBondContact O-CB 3.49Å; R364-L368 VanDerWaalsContact O-CG 3.3Å; R364-L368 WeakPolarHBondContact O-CG 3.29Å; R364-L368 PolarHBondContact O-N 2.94Å; L365-L368 PolarHBondContact O-N 2.98Å; L368-A371 PolarHBondContact O-N 3.32Å; L368-C372 PolarHBondContact O-N 3.48Å; L368-C372 PolarHBondContact O-SG 3.22Å; L368-I438 HydrophobicContact CD2-CB 4.34Å; L368-I438 HydrophobicContact CD2-CG1 4.13Å; L368-I438 HydrophobicContact CD2-CG2 3.98Å; L368-P441 HydrophobicContact CD1-CG 3.87Å; L368-I442 HydrophobicContact CD1-CG1 4.41Å; L368-I442 HydrophobicContact CD2-CD1 4.44Å; L368-F449 HydrophobicContact CB-CE1 3.77Å; L368-F449 HydrophobicContact CB-CZ 3.9Å; L368-F449 HydrophobicContact CD1-CZ 4.47Å
369	L	96.9	Very high	96.1	Very high	31 Å²	31	65.6 Å²	65.6	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-47.9	176.8	179.6	62.1	0	0	0	110.4	L365 Q366 A367 A371 C372 E373 W448 F449	L365-L369 WeakPolarHBondContact O-CB 3.47Å; L365-L369 PolarHBondContact O-N 2.79Å; Q366-L369 PolarHBondContact O-N 3.43Å; A367-L369 VanDerWaalsContact C-N 3.34Å; L369-A371 PolarHBondContact O-N 2.92Å; L369-A371 VanDerWaalsContact O-N 3.11Å; L369-C372 WeakPolarHBondContact O-CA 3.12Å; L369-C372 WeakPolarHBondContact O-CB 3.47Å; L369-C372 PolarHBondContact O-N 2.98Å; L369-E373 HydrophobicContact CD1-CG 4.46Å; L369-E373 WeakPolarHBondContact O-CG 3.45Å; L369-E373 PolarHBondContact O-N 3.13Å; L369-W448 HydrophobicContact CB-CH2 3.98Å; L369-W448 HydrophobicContact CB-CZ3 4.01Å; L369-W448 HydrophobicContact CD2-CH2 3.67Å; L369-W448 HydrophobicContact CD2-CZ2 4.01Å; L369-W448 HydrophobicContact CD2-CZ3 4.16Å; L369-W448 HydrophobicContact CG-CH2 4.41Å; L369-F449 HydrophobicContact CB-CD1 4.22Å; L369-F449 HydrophobicContact CB-CE1 4.05Å; L369-F449 HydrophobicContact CD1-CD1 4Å
370	G	96.8	Very high	96.3	Very high	25 Å²	25	58.7 Å²	58.7	26%	0.258	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-12.8	174.4	0	0	0	0	0	114.9	Q366 K374	Q366-G370 PolarHBondContact O-N 3.29Å; G370-K374 WeakPolarHBondContact O-CD 3.34Å; G370-K374 VanDerWaalsContact O-CE 3.24Å; G370-K374 WeakPolarHBondContact O-CE 3.5Å; G370-K374 VanDerWaalsContact O-CG 3.31Å; G370-K374 WeakPolarHBondContact O-CG 3.36Å
371	A	96.7	Very high	96.3	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-88.4	-38.6	166.7	0	0	0	0	0	111.9	D351 W352 A367 L368 L369 E373 K374	D351-A371 HydrophobicContact CB-CB 4.5Å; W352-A371 HydrophobicContact CD2-CB 3.91Å; W352-A371 HydrophobicContact CE3-CB 3.62Å; W352-A371 HydrophobicContact CH2-CB 3.71Å; W352-A371 HydrophobicContact CZ2-CB 3.96Å; W352-A371 HydrophobicContact CZ3-CB 3.53Å; A367-A371 PolarHBondContact O-N 2.83Å; A367-A371 VanDerWaalsContact O-N 3.14Å; L368-A371 PolarHBondContact O-N 3.32Å; L369-A371 PolarHBondContact O-N 2.92Å; L369-A371 VanDerWaalsContact O-N 3.11Å; A371-E373 VanDerWaalsContact C-N 3.32Å; A371-E373 PolarHBondContact O-N 3.45Å; A371-K374 PolarHBondContact O-N 2.87Å
372	C	95.9	Very high	96.5	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-42.6	172.1	-63.9	0	0	0	0	112	W352 L368 L369 K374 L375 N380 F450	W352-C372 HydrophobicContact CH2-CB 4.37Å; L368-C372 PolarHBondContact O-N 3.48Å; L368-C372 PolarHBondContact O-SG 3.22Å; L369-C372 WeakPolarHBondContact O-CA 3.12Å; L369-C372 WeakPolarHBondContact O-CB 3.47Å; L369-C372 PolarHBondContact O-N 2.98Å; C372-K374 PolarHBondContact O-N 3.14Å; C372-L375 WeakPolarHBondContact O-CB 3.49Å; C372-L375 PolarHBondContact O-N 3.49Å; C372-N380 PolarHBondContact O-ND2 2.65Å; C372-F450 HydrophobicContact CB-CE1 4.4Å; C372-F450 HydrophobicContact CB-CZ 4.33Å
373	E	95.2	Very high	96.7	Very high	147 Å²	147	46 Å²	46	69%	0.687	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.6	180	-70.3	179	151.8	0	0	114	L369 A371	L369-E373 HydrophobicContact CD1-CG 4.46Å; L369-E373 WeakPolarHBondContact O-CG 3.45Å; L369-E373 PolarHBondContact O-N 3.13Å; A371-E373 VanDerWaalsContact C-N 3.32Å; A371-E373 PolarHBondContact O-N 3.45Å
374	K	97.2	Very high	96.7	Very high	122 Å²	122	42.5 Å²	42.5	53%	0.53	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.8	176.6	-66.4	173	-170.6	-176.7	0	113.9	L348 D351 G370 A371 C372	L348-K374 HydrophobicContact CD1-CB 3.81Å; L348-K374 HydrophobicContact CD2-CB 3.71Å; L348-K374 HydrophobicContact CD2-CD 3.77Å; L348-K374 HydrophobicContact CD2-CG 4.42Å; L348-K374 HydrophobicContact CG-CB 4.43Å; D351-K374 IonicContact OD2-NZ 2.64Å; D351-K374 PolarHBondContact OD2-NZ 3.14Å; G370-K374 WeakPolarHBondContact O-CD 3.34Å; G370-K374 VanDerWaalsContact O-CE 3.24Å; G370-K374 WeakPolarHBondContact O-CE 3.5Å; G370-K374 VanDerWaalsContact O-CG 3.31Å; G370-K374 WeakPolarHBondContact O-CG 3.36Å; A371-K374 PolarHBondContact O-N 2.87Å; C372-K374 PolarHBondContact O-N 3.14Å
375	L	97.2	Very high	96.8	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.058	22%	0.218	C	C	.	.	S	Bend	trans	-60	136.9	-178.9	-75.5	167.9	0	0	0	110.5	T345 L348 W352 C372 N379 N380 F383	T345-L375 HydrophobicContact CG2-CD2 4.19Å; L348-L375 HydrophobicContact CD1-CD2 3.82Å; L348-L375 HydrophobicContact CD1-CG 4.06Å; W352-L375 HydrophobicContact CH2-CD1 4.44Å; W352-L375 HydrophobicContact CZ2-CD1 4.1Å; W352-L375 HydrophobicContact CZ2-CD2 4.2Å; W352-L375 HydrophobicContact CZ2-CG 4.14Å; C372-L375 WeakPolarHBondContact O-CB 3.49Å; C372-L375 PolarHBondContact O-N 3.49Å; L375-N379 HydrophobicContact CB-CB 4.31Å; L375-N379 HydrophobicContact CD2-CB 4.17Å; L375-N380 HydrophobicContact CB-CB 3.86Å; L375-F383 HydrophobicContact CD1-CB 4.42Å; L375-F383 HydrophobicContact CD1-CD1 3.85Å; L375-F383 HydrophobicContact CD1-CE1 4.45Å; L375-F383 HydrophobicContact CD1-CG 4.31Å
376	P	97.1	Very high	96.9	Very high	61 Å²	61	38.4 Å²	38.4	40%	0.396	21%	0.212	S	C	.	.			trans	-55	149.2	171.3	-21.6	30.7	0	0	0	111.2	T345 A378 N379 N380	T345-P376 HydrophobicContact CG2-CG 4.14Å; P376-A378 VanDerWaalsContact C-N 3.29Å; P376-A378 PolarHBondContact O-N 3.12Å; P376-A378 VanDerWaalsContact O-N 3.14Å; P376-N379 WeakPolarHBondContact CB-OD1 3.38Å; P376-N379 WeakPolarHBondContact CG-OD1 3.39Å; P376-N379 WeakPolarHBondContact O-CA 3.39Å; P376-N379 WeakPolarHBondContact O-CB 3.29Å; P376-N379 PolarHBondContact O-N 3.07Å; P376-N380 PolarHBondContact O-N 3.37Å
377	C	95.4	Very high	96.9	Very high	93 Å²	93	33.7 Å²	33.7	63%	0.628	19%	0.19	S	C	*	.	H	α-helix	trans	-52	-43.9	-171.1	-171.7	0	0	0	0	113.5	N380 N381	C377-N380 PolarHBondContact O-N 3.41Å; C377-N381 WeakPolarHBondContact O-CB 3.49Å; C377-N381 VanDerWaalsContact O-CG 3.23Å; C377-N381 PolarHBondContact O-N 2.66Å
378	A	96	Very high	96.9	Very high	20 Å²	20	32.7 Å²	32.7	17%	0.165	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-51.2	175.9	0	0	0	0	0	112.4	L262 E263 L266 P376 N382	L262-A378 HydrophobicContact CD2-CB 4.18Å; L262-A378 HydrophobicContact CG-CB 4.42Å; E263-A378 HydrophobicContact CG-CB 4.23Å; E263-A378 VanDerWaalsContact OE1-CB 3.26Å; E263-A378 WeakPolarHBondContact OE1-CB 3.46Å; L266-A378 HydrophobicContact CD1-CB 3.74Å; P376-A378 VanDerWaalsContact C-N 3.29Å; P376-A378 PolarHBondContact O-N 3.12Å; P376-A378 VanDerWaalsContact O-N 3.14Å; A378-N382 WeakPolarHBondContact O-CB 3.34Å; A378-N382 PolarHBondContact O-N 3.17Å; A378-N382 VanDerWaalsContact O-N 3.15Å; A378-N382 PolarHBondContact O-ND2 3.4Å
379	N	97.6	Very high	96.9	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-49.4	174.2	-61.9	82.9	0	0	0	111.9	E263 L343 L375 P376 N382 F383	E263-N379 PolarHBondContact OE1-OD1 2.68Å; L343-N379 HydrophobicContact CD1-CB 4.49Å; L343-N379 WeakPolarHBondContact O-CB 3.36Å; L343-N379 PolarHBondContact O-ND2 3.25Å; L375-N379 HydrophobicContact CB-CB 4.31Å; L375-N379 HydrophobicContact CD2-CB 4.17Å; P376-N379 WeakPolarHBondContact CB-OD1 3.38Å; P376-N379 WeakPolarHBondContact CG-OD1 3.39Å; P376-N379 WeakPolarHBondContact O-CA 3.39Å; P376-N379 WeakPolarHBondContact O-CB 3.29Å; P376-N379 PolarHBondContact O-N 3.07Å; N379-N382 PolarHBondContact O-N 3.05Å; N379-F383 WeakPolarHBondContact O-CB 3.26Å; N379-F383 PolarHBondContact O-N 3.2Å
380	N	96.9	Very high	97	Very high	36 Å²	36	31.2 Å²	31.2	19%	0.193	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-49	-177.5	-171.7	-76.6	0	0	0	111.2	C372 L375 P376 C377 N382 F383 K384	C372-N380 PolarHBondContact O-ND2 2.65Å; L375-N380 HydrophobicContact CB-CB 3.86Å; P376-N380 PolarHBondContact O-N 3.37Å; C377-N380 PolarHBondContact O-N 3.41Å; N380-N382 PolarHBondContact O-N 2.91Å; N380-F383 PolarHBondContact O-N 3.21Å; N380-K384 WeakPolarHBondContact O-CB 3.15Å; N380-K384 PolarHBondContact O-N 3.1Å
381	N	95.7	Very high	97	Very high	50 Å²	50	31 Å²	31	27%	0.267	17%	0.166	S	C	.	.	H	α-helix	trans	-57.5	-48	178.1	-73.8	-11.6	0	0	0	111.8	I273 C377 Y385	I273-N381 HydrophobicContact CD1-CB 4.22Å; C377-N381 WeakPolarHBondContact O-CB 3.49Å; C377-N381 VanDerWaalsContact O-CG 3.23Å; C377-N381 PolarHBondContact O-N 2.66Å; N381-Y385 VanDerWaalsContact O-CB 3.22Å; N381-Y385 WeakPolarHBondContact O-CB 3.35Å; N381-Y385 PolarHBondContact O-N 2.7Å
382	N	97.4	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.1	-35	-178.8	-76.8	-89.7	0	0	0	112.7	D272 I273 A274 I277 L343 A378 N379 N380 L386	D272-N382 PolarHBondContact O-ND2 3.32Å; I273-N382 WeakPolarHBondContact CA-OD1 3.42Å; A274-N382 WeakPolarHBondContact CB-OD1 3.44Å; A274-N382 PolarHBondContact N-OD1 2.9Å; I277-N382 HydrophobicContact CD1-CB 4.03Å; L343-N382 HydrophobicContact CD1-CB 3.94Å; A378-N382 WeakPolarHBondContact O-CB 3.34Å; A378-N382 PolarHBondContact O-N 3.17Å; A378-N382 VanDerWaalsContact O-N 3.15Å; A378-N382 PolarHBondContact O-ND2 3.4Å; N379-N382 PolarHBondContact O-N 3.05Å; N380-N382 PolarHBondContact O-N 2.91Å; N382-L386 WeakPolarHBondContact O-CB 3.4Å; N382-L386 PolarHBondContact O-N 3.42Å
383	F	97.9	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-48.5	174.9	-175	-112.4	0	0	0	111.5	L343 M344 L375 N379 N380 Y385 L386 I387 I439 I442 F450	L343-F383 HydrophobicContact CD2-CB 4.21Å; L343-F383 HydrophobicContact CD2-CD2 4.29Å; L343-F383 HydrophobicContact CG-CB 4.25Å; M344-F383 HydrophobicContact CE-CE2 4.36Å; M344-F383 HydrophobicContact CE-CZ 4.05Å; M344-F383 HydrophobicContact CG-CD2 4.01Å; M344-F383 HydrophobicContact CG-CE2 3.7Å; M344-F383 HydrophobicContact CG-CZ 4.2Å; M344-F383 HydrophobicContact SD-CE2 3.66Å; M344-F383 HydrophobicContact SD-CZ 3.96Å; L375-F383 HydrophobicContact CD1-CB 4.42Å; L375-F383 HydrophobicContact CD1-CD1 3.85Å; L375-F383 HydrophobicContact CD1-CE1 4.45Å; L375-F383 HydrophobicContact CD1-CG 4.31Å; N379-F383 WeakPolarHBondContact O-CB 3.26Å; N379-F383 PolarHBondContact O-N 3.2Å; N380-F383 PolarHBondContact O-N 3.21Å; F383-Y385 VanDerWaalsContact C-N 3.33Å; F383-Y385 PolarHBondContact O-N 2.93Å; F383-L386 PolarHBondContact O-N 2.89Å; F383-I387 HydrophobicContact CD1-CG1 4.26Å; F383-I387 HydrophobicContact CD2-CG1 4.17Å; F383-I387 HydrophobicContact CE1-CG1 4.01Å; F383-I387 HydrophobicContact CE2-CD1 3.97Å; F383-I387 HydrophobicContact CE2-CG1 3.91Å; F383-I387 HydrophobicContact CG-CG1 4.34Å; F383-I387 HydrophobicContact CZ-CD1 3.97Å; F383-I387 HydrophobicContact CZ-CG1 3.83Å; F383-I387 WeakPolarHBondContact O-CB 3.32Å; F383-I387 VanDerWaalsContact O-CG1 3.3Å; F383-I387 WeakPolarHBondContact O-CG1 3.35Å; F383-I387 PolarHBondContact O-N 3.19Å; F383-I439 HydrophobicContact CE2-CD1 4.46Å; F383-I442 HydrophobicContact CE1-CG2 4.16Å; F383-I442 HydrophobicContact CZ-CD1 4.33Å; F383-I442 HydrophobicContact CZ-CG2 4.13Å; F383-F450 HydrophobicContact CD1-CE2 4.23Å; F383-F450 AromaticContact CD1-CZ 3.69Å; F383-F450 HydrophobicContact CD1-CZ 3.69Å; F383-F450 HydrophobicContact CE1-CE2 4.16Å; F383-F450 AromaticContact CE1-CZ 3.82Å; F383-F450 HydrophobicContact CE1-CZ 3.82Å
384	K	97.1	Very high	97.1	Very high	54 Å²	54	28.3 Å²	28.3	24%	0.235	15%	0.152	C	C	.	.	H	α-helix	trans	-54	-48.5	173.1	165.3	162.9	-175.7	166.6	0	111.4	N380 I387 K388 F450 P451 I454	N380-K384 WeakPolarHBondContact O-CB 3.15Å; N380-K384 PolarHBondContact O-N 3.1Å; K384-I387 PolarHBondContact O-N 3Å; K384-K388 PolarHBondContact O-N 3.06Å; K384-F450 HydrophobicContact CB-CD1 3.7Å; K384-F450 HydrophobicContact CB-CE1 3.99Å; K384-F450 HydrophobicContact CB-CG 4Å; K384-F450 HydrophobicContact CD-CB 3.89Å; K384-F450 HydrophobicContact CD-CD1 3.86Å; K384-F450 HydrophobicContact CD-CG 4.13Å; K384-F450 HydrophobicContact CG-CB 3.87Å; K384-F450 HydrophobicContact CG-CD1 3.86Å; K384-F450 HydrophobicContact CG-CG 3.87Å; K384-P451 PolarHBondContact NZ-O 2.75Å; K384-I454 HydrophobicContact CD-CD1 4.31Å; K384-I454 HydrophobicContact CG-CD1 3.63Å
385	Y	97.5	Very high	97.1	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-48.9	177.5	-175.7	-87	0	0	0	111.7	I273 I277 V281 N381 F383 F389 I454 F456 V458	I273-Y385 HydrophobicContact CD1-CD2 4.03Å; I273-Y385 HydrophobicContact CD1-CG 4.03Å; I273-Y385 HydrophobicContact CG1-CD2 4Å; I273-Y385 HydrophobicContact CG1-CE2 4.41Å; I273-Y385 HydrophobicContact CG1-CG 4.33Å; I273-Y385 HydrophobicContact CG2-CD1 3.94Å; I273-Y385 HydrophobicContact CG2-CD2 4.3Å; I273-Y385 HydrophobicContact CG2-CE1 4.07Å; I273-Y385 HydrophobicContact CG2-CE2 4.43Å; I273-Y385 HydrophobicContact CG2-CG 4.07Å; I277-Y385 HydrophobicContact CG2-CD1 3.64Å; I277-Y385 HydrophobicContact CG2-CE1 3.89Å; V281-Y385 HydrophobicContact CB-CE1 3.81Å; V281-Y385 HydrophobicContact CG1-CE1 3.69Å; V281-Y385 HydrophobicContact CG2-CE1 3.96Å; N381-Y385 VanDerWaalsContact O-CB 3.22Å; N381-Y385 WeakPolarHBondContact O-CB 3.35Å; N381-Y385 PolarHBondContact O-N 2.7Å; F383-Y385 VanDerWaalsContact C-N 3.33Å; F383-Y385 PolarHBondContact O-N 2.93Å; Y385-F389 PolarHBondContact O-N 3.43Å; Y385-I454 HydrophobicContact CD2-CG2 3.66Å; Y385-I454 HydrophobicContact CE2-CG2 3.94Å; Y385-F456 HydrophobicContact CD2-CD1 4.4Å; Y385-F456 HydrophobicContact CE1-CD1 4.24Å; Y385-F456 AromaticContact CE2-CD1 3.84Å; Y385-F456 HydrophobicContact CE2-CD1 3.84Å; Y385-F456 AromaticContact CZ-CD1 3.74Å; Y385-F456 WeakPolarHBondContact OH-CA 3.34Å; Y385-F456 PolarHBondContact OH-O 2.63Å; Y385-F456 VanDerWaalsContact OH-O 3.09Å; Y385-V458 HydrophobicContact CE2-CG2 4.34Å
386	L	98.1	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-46	177.6	-178.8	64.6	0	0	0	112.3	L332 L336 L343 N382 F383 K388 F389 L390 L415	L332-L386 HydrophobicContact CD2-CD1 4.18Å; L336-L386 HydrophobicContact CD1-CD2 3.72Å; L336-L386 HydrophobicContact CD2-CD2 4.13Å; L343-L386 HydrophobicContact CD2-CD2 4.33Å; N382-L386 WeakPolarHBondContact O-CB 3.4Å; N382-L386 PolarHBondContact O-N 3.42Å; F383-L386 PolarHBondContact O-N 2.89Å; L386-K388 PolarHBondContact O-N 3.25Å; L386-F389 HydrophobicContact CD1-CD1 4.34Å; L386-F389 WeakPolarHBondContact O-CB 3.5Å; L386-F389 PolarHBondContact O-N 3.25Å; L386-L390 HydrophobicContact CD1-CD1 4.27Å; L386-L390 HydrophobicContact CD1-CG 4.27Å; L386-L390 HydrophobicContact CG-CD1 3.98Å; L386-L390 HydrophobicContact CG-CG 4.35Å; L386-L390 WeakPolarHBondContact O-CG 3.47Å; L386-L390 PolarHBondContact O-N 3.39Å; L386-L415 HydrophobicContact CD2-CD2 3.69Å
387	I	98.1	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-42.6	-178.2	-69.8	-63.5	0	0	0	111.6	F383 K384 F389 L390 S391 I442 I443 A446 F450	F383-I387 HydrophobicContact CD1-CG1 4.26Å; F383-I387 HydrophobicContact CD2-CG1 4.17Å; F383-I387 HydrophobicContact CE1-CG1 4.01Å; F383-I387 HydrophobicContact CE2-CD1 3.97Å; F383-I387 HydrophobicContact CE2-CG1 3.91Å; F383-I387 HydrophobicContact CG-CG1 4.34Å; F383-I387 HydrophobicContact CZ-CD1 3.97Å; F383-I387 HydrophobicContact CZ-CG1 3.83Å; F383-I387 WeakPolarHBondContact O-CB 3.32Å; F383-I387 VanDerWaalsContact O-CG1 3.3Å; F383-I387 WeakPolarHBondContact O-CG1 3.35Å; F383-I387 PolarHBondContact O-N 3.19Å; K384-I387 PolarHBondContact O-N 3Å; I387-F389 VanDerWaalsContact C-N 3.34Å; I387-F389 PolarHBondContact O-N 3.38Å; I387-L390 PolarHBondContact O-N 2.89Å; I387-S391 WeakPolarHBondContact O-CB 3.43Å; I387-S391 PolarHBondContact O-N 3.32Å; I387-I442 HydrophobicContact CD1-CG2 3.88Å; I387-I442 HydrophobicContact CG1-CG2 3.97Å; I387-I442 HydrophobicContact CG2-CG2 3.91Å; I387-I443 HydrophobicContact CD1-CG1 3.87Å; I387-A446 HydrophobicContact CG2-CB 3.76Å; I387-F450 HydrophobicContact CB-CD2 4.18Å; I387-F450 HydrophobicContact CB-CE2 4Å; I387-F450 HydrophobicContact CG1-CE2 4.16Å; I387-F450 HydrophobicContact CG2-CD2 3.84Å; I387-F450 HydrophobicContact CG2-CE2 3.86Å
388	K	97.4	Very high	97.1	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.065	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-35.7	175.3	-74.8	-84	-59.7	-160	0	112.1	K384 L386 K392 D447 F450 G452 E453 I454 F456	K384-K388 PolarHBondContact O-N 3.06Å; L386-K388 PolarHBondContact O-N 3.25Å; K388-K392 WeakPolarHBondContact O-CB 3.47Å; K388-K392 PolarHBondContact O-N 3.36Å; K388-K392 VanDerWaalsContact O-N 3.09Å; K388-D447 IonicContact NZ-OD1 3.84Å; K388-D447 PolarHBondContact NZ-OD1 3.08Å; K388-F450 HydrophobicContact CG-CB 4.47Å; K388-G452 PolarHBondContact NZ-O 3.25Å; K388-E453 IonicContact NZ-OE2 2.73Å; K388-I454 HydrophobicContact CB-CD1 3.83Å; K388-I454 HydrophobicContact CB-CG1 4.36Å; K388-I454 HydrophobicContact CG-CD1 3.68Å; K388-I454 HydrophobicContact CG-CG1 4.18Å; K388-F456 HydrophobicContact CB-CE1 4.44Å; K388-F456 HydrophobicContact CB-CZ 4.01Å
389	F	97.6	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-45.7	170.2	162	-101.3	0	0	0	111.9	V281 L284 L285 M289 F295 Y385 L386 I387 K392 L393 F456	V281-F389 HydrophobicContact CB-CD2 4.39Å; V281-F389 HydrophobicContact CB-CG 4.35Å; V281-F389 HydrophobicContact CG1-CB 3.86Å; V281-F389 HydrophobicContact CG1-CD2 3.68Å; V281-F389 HydrophobicContact CG1-CE2 4.43Å; V281-F389 HydrophobicContact CG1-CG 3.78Å; V281-F389 HydrophobicContact CG2-CB 4.18Å; V281-F389 HydrophobicContact CG2-CD1 3.86Å; V281-F389 HydrophobicContact CG2-CD2 4.29Å; V281-F389 HydrophobicContact CG2-CE1 4.37Å; V281-F389 HydrophobicContact CG2-CG 3.82Å; L284-F389 HydrophobicContact CB-CE2 3.99Å; L284-F389 HydrophobicContact CB-CZ 3.85Å; L284-F389 HydrophobicContact CD1-CE1 4.38Å; L284-F389 HydrophobicContact CD1-CZ 3.84Å; L285-F389 HydrophobicContact CD1-CD2 4.27Å; L285-F389 HydrophobicContact CD2-CD2 4.1Å; L285-F389 HydrophobicContact CD2-CE2 4.36Å; L285-F389 HydrophobicContact CG-CD2 3.93Å; L285-F389 HydrophobicContact CG-CE2 4.07Å; M289-F389 HydrophobicContact SD-CE2 3.93Å; F295-F389 HydrophobicContact CE2-CE1 4.15Å; F295-F389 AromaticContact CZ-CE1 3.94Å; F295-F389 HydrophobicContact CZ-CE1 3.94Å; Y385-F389 PolarHBondContact O-N 3.43Å; L386-F389 HydrophobicContact CD1-CD1 4.34Å; L386-F389 WeakPolarHBondContact O-CB 3.5Å; L386-F389 PolarHBondContact O-N 3.25Å; I387-F389 VanDerWaalsContact C-N 3.34Å; I387-F389 PolarHBondContact O-N 3.38Å; F389-K392 CarbonylContact O-C 3.59Å; F389-K392 PolarHBondContact O-N 2.94Å; F389-L393 HydrophobicContact CZ-CD2 4.46Å; F389-L393 PolarHBondContact O-N 3.3Å; F389-F456 HydrophobicContact CB-CD1 4.4Å; F389-F456 HydrophobicContact CB-CE1 3.74Å; F389-F456 HydrophobicContact CB-CZ 4.29Å
390	L	97.8	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-37.9	-179.8	-65.7	175.3	0	0	0	112	F295 L386 I387 L393 T394 I407 L411 I443	F295-L390 HydrophobicContact CE2-CD2 3.98Å; F295-L390 HydrophobicContact CZ-CD2 4.39Å; L386-L390 HydrophobicContact CD1-CD1 4.27Å; L386-L390 HydrophobicContact CD1-CG 4.27Å; L386-L390 HydrophobicContact CG-CD1 3.98Å; L386-L390 HydrophobicContact CG-CG 4.35Å; L386-L390 WeakPolarHBondContact O-CG 3.47Å; L386-L390 PolarHBondContact O-N 3.39Å; I387-L390 PolarHBondContact O-N 2.89Å; L390-L393 WeakPolarHBondContact O-CB 3.46Å; L390-L393 PolarHBondContact O-N 2.9Å; L390-L393 VanDerWaalsContact O-N 3.17Å; L390-T394 WeakPolarHBondContact O-CG2 3.49Å; L390-T394 PolarHBondContact O-N 3.35Å; L390-T394 VanDerWaalsContact O-N 3.17Å; L390-I407 HydrophobicContact CB-CG2 4.36Å; L390-I407 HydrophobicContact CD1-CG2 3.93Å; L390-I407 HydrophobicContact CD2-CG2 3.85Å; L390-I407 HydrophobicContact CG-CG2 4.25Å; L390-L411 HydrophobicContact CD1-CD1 3.65Å; L390-L411 HydrophobicContact CD2-CD1 3.62Å; L390-L411 HydrophobicContact CG-CD1 4.28Å; L390-I443 HydrophobicContact CB-CD1 4.16Å; L390-I443 HydrophobicContact CB-CG1 4.29Å; L390-I443 HydrophobicContact CB-CG2 4.45Å; L390-I443 HydrophobicContact CD1-CD1 4.08Å
391	S	97.3	Very high	97.2	Very high	21 Å²	21	39.1 Å²	39.1	15%	0.147	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-50.7	170.3	-172.7	0	0	0	0	110.6	I387 L393 T394 E395	I387-S391 WeakPolarHBondContact O-CB 3.43Å; I387-S391 PolarHBondContact O-N 3.32Å; S391-L393 PolarHBondContact O-N 2.89Å; S391-T394 PolarHBondContact O-N 2.64Å; S391-T394 PolarHBondContact O-OG1 3.04Å; S391-E395 PolarHBondContact O-N 2.93Å
392	K	96.3	Very high	97.3	Very high	79 Å²	79	36.7 Å²	36.7	34%	0.343	18%	0.177	S	C	.	.	H	α-helix	trans	-61.9	-28.4	176.7	-172	164.3	-174.7	170.7	0	113.6	L285 M289 K388 F389 T394 E395 Y396 F456	L285-K392 HydrophobicContact CD2-CD 3.98Å; L285-K392 HydrophobicContact CD2-CG 4.48Å; M289-K392 HydrophobicContact CE-CB 4.5Å; M289-K392 HydrophobicContact CE-CG 3.99Å; M289-K392 WeakPolarHBondContact CE-O 3.45Å; K388-K392 WeakPolarHBondContact O-CB 3.47Å; K388-K392 PolarHBondContact O-N 3.36Å; K388-K392 VanDerWaalsContact O-N 3.09Å; F389-K392 CarbonylContact O-C 3.59Å; F389-K392 PolarHBondContact O-N 2.94Å; K392-T394 VanDerWaalsContact C-N 3.34Å; K392-E395 WeakPolarHBondContact CA-OE1 3.2Å; K392-E395 WeakPolarHBondContact O-CB 3.27Å; K392-E395 PolarHBondContact O-N 3.05Å; K392-Y396 WeakPolarHBondContact O-CD2 3Å; K392-F456 HydrophobicContact CD-CE2 4.3Å
393	L	97	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-31.1	172.2	-173.3	63.7	0	0	0	112.5	M289 L294 F295 F389 L390 S391 E395 Y396 N400 I407	M289-L393 HydrophobicContact CE-CB 4.23Å; M289-L393 HydrophobicContact CE-CD1 4.04Å; M289-L393 HydrophobicContact SD-CD1 3.98Å; L294-L393 HydrophobicContact CD1-CD1 3.98Å; L294-L393 HydrophobicContact CD1-CD2 4.16Å; F295-L393 HydrophobicContact CD2-CD2 4.34Å; F295-L393 HydrophobicContact CE2-CD2 3.87Å; F389-L393 HydrophobicContact CZ-CD2 4.46Å; F389-L393 PolarHBondContact O-N 3.3Å; L390-L393 WeakPolarHBondContact O-CB 3.46Å; L390-L393 PolarHBondContact O-N 2.9Å; L390-L393 VanDerWaalsContact O-N 3.17Å; S391-L393 PolarHBondContact O-N 2.89Å; L393-E395 VanDerWaalsContact C-N 3.31Å; L393-E395 PolarHBondContact O-N 3.3Å; L393-Y396 PolarHBondContact O-N 3.15Å; L393-N400 VanDerWaalsContact CD1-ND2 3.31Å; L393-N400 WeakPolarHBondContact CD1-ND2 3.27Å; L393-N400 PolarHBondContact O-ND2 3.02Å; L393-I407 HydrophobicContact CB-CD1 4.46Å; L393-I407 HydrophobicContact CD2-CD1 4.15Å; L393-I407 HydrophobicContact CG-CD1 4.45Å
394	T	97.4	Very high	97.3	Very high	15 Å²	15	39.8 Å²	39.8	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-74.7	-17.1	176.6	69.2	0	0	0	0	113.6	L390 S391 K392 Y396 Q397 P404 I407 I443	L390-T394 WeakPolarHBondContact O-CG2 3.49Å; L390-T394 PolarHBondContact O-N 3.35Å; L390-T394 VanDerWaalsContact O-N 3.17Å; S391-T394 PolarHBondContact O-N 2.64Å; S391-T394 PolarHBondContact O-OG1 3.04Å; K392-T394 VanDerWaalsContact C-N 3.34Å; T394-Y396 PolarHBondContact O-N 2.99Å; T394-Q397 VanDerWaalsContact O-CB 3.28Å; T394-Q397 WeakPolarHBondContact O-CB 3.47Å; T394-Q397 WeakPolarHBondContact O-CG 3.01Å; T394-Q397 PolarHBondContact O-N 3.28Å; T394-Q397 VanDerWaalsContact O-N 3.11Å; T394-Q397 PolarHBondContact O-NE2 3.04Å; T394-P404 HydrophobicContact CG2-CB 4.45Å; T394-P404 HydrophobicContact CG2-CG 3.86Å; T394-I407 HydrophobicContact CG2-CD1 3.54Å; T394-I443 HydrophobicContact CG2-CG2 4.04Å
395	E	96.5	Very high	97.3	Very high	127 Å²	127	37.5 Å²	37.5	59%	0.593	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.3	168.2	-63	170	-154.7	0	0	111.7	S391 K392 L393	S391-E395 PolarHBondContact O-N 2.93Å; K392-E395 WeakPolarHBondContact CA-OE1 3.2Å; K392-E395 WeakPolarHBondContact O-CB 3.27Å; K392-E395 PolarHBondContact O-N 3.05Å; L393-E395 VanDerWaalsContact C-N 3.31Å; L393-E395 PolarHBondContact O-N 3.3Å
396	Y	96.9	Very high	97.3	Very high	84 Å²	84	40.3 Å²	40.3	33%	0.329	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	13.2	-179.1	-63.2	-94.4	0	0	0	113.2	M289 Q290 K392 L393 T394 D398 V399 N400	M289-Y396 HydrophobicContact CB-CD2 4.29Å; M289-Y396 HydrophobicContact CB-CE2 4.44Å; M289-Y396 HydrophobicContact CB-CG 4.43Å; M289-Y396 HydrophobicContact CE-CD2 3.92Å; M289-Y396 HydrophobicContact CE-CE2 4.02Å; M289-Y396 WeakPolarHBondContact O-CB 3.31Å; Q290-Y396 HydrophobicContact CG-CD1 3.89Å; Q290-Y396 HydrophobicContact CG-CE1 4.43Å; K392-Y396 WeakPolarHBondContact O-CD2 3Å; L393-Y396 PolarHBondContact O-N 3.15Å; T394-Y396 PolarHBondContact O-N 2.99Å; Y396-D398 VanDerWaalsContact C-N 3.25Å; Y396-D398 PolarHBondContact O-N 3.35Å; Y396-V399 WeakPolarHBondContact O-CA 3.48Å; Y396-V399 PolarHBondContact O-N 2.97Å; Y396-N400 WeakPolarHBondContact CB-ND2 3.35Å; Y396-N400 PolarHBondContact O-N 2.67Å; Y396-N400 PolarHBondContact O-OD1 3.4Å
397	Q	96.6	Very high	97.2	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-28.4	-172	71.3	-167	-72.8	0	0	114.5	T394 V399 N400 K401	T394-Q397 VanDerWaalsContact O-CB 3.28Å; T394-Q397 WeakPolarHBondContact O-CB 3.47Å; T394-Q397 WeakPolarHBondContact O-CG 3.01Å; T394-Q397 PolarHBondContact O-N 3.28Å; T394-Q397 VanDerWaalsContact O-N 3.11Å; T394-Q397 PolarHBondContact O-NE2 3.04Å; Q397-V399 PolarHBondContact O-N 2.87Å; Q397-N400 WeakPolarHBondContact CA-OD1 3.41Å; Q397-K401 WeakPolarHBondContact O-CA 3.32Å; Q397-K401 PolarHBondContact O-N 3.25Å
398	D	96.9	Very high	97.2	Very high	143 Å²	143	40.3 Å²	40.3	77%	0.765	20%	0.203	S	C	*	.	H	α-helix	trans	-63.4	-27.5	173.4	-71.9	-35.3	0	0	0	112.7	Y396 K401	Y396-D398 VanDerWaalsContact C-N 3.25Å; Y396-D398 PolarHBondContact O-N 3.35Å; D398-K401 PolarHBondContact O-NZ 2.98Å
399	V	97.3	Very high	97.1	Very high	67 Å²	67	44.3 Å²	44.3	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-95.6	-62.6	175.6	-173.1	0	0	0	0	110	Q290 Y396 Q397 K401	Q290-V399 HydrophobicContact CB-CG1 4Å; Q290-V399 HydrophobicContact CG-CG1 4.35Å; Y396-V399 WeakPolarHBondContact O-CA 3.48Å; Y396-V399 PolarHBondContact O-N 2.97Å; Q397-V399 PolarHBondContact O-N 2.87Å; V399-K401 VanDerWaalsContact C-N 3.27Å; V399-K401 WeakPolarHBondContact O-CD 3.35Å; V399-K401 WeakPolarHBondContact O-CE 3.48Å; V399-K401 PolarHBondContact O-N 2.79Å; V399-K401 PolarHBondContact O-NZ 2.73Å
400	N	97.1	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-76.6	-7.4	-170.5	71	29.6	0	0	0	114.8	M289 E291 E292 G293 L393 Y396 Q397 M402	M289-N400 PolarHBondContact O-ND2 3.29Å; E291-N400 WeakPolarHBondContact O-CB 3.43Å; E292-N400 WeakPolarHBondContact CA-O 3.29Å; G293-N400 PolarHBondContact N-O 3.07Å; L393-N400 VanDerWaalsContact CD1-ND2 3.31Å; L393-N400 WeakPolarHBondContact CD1-ND2 3.27Å; L393-N400 PolarHBondContact O-ND2 3.02Å; Y396-N400 WeakPolarHBondContact CB-ND2 3.35Å; Y396-N400 PolarHBondContact O-N 2.67Å; Y396-N400 PolarHBondContact O-OD1 3.4Å; Q397-N400 WeakPolarHBondContact CA-OD1 3.41Å; N400-M402 PolarHBondContact O-N 3.2Å; N400-M402 WeakPolarHBondContact OD1-CB 3.27Å; N400-M402 PolarHBondContact OD1-N 3.45Å
401	K	97.6	Very high	96.9	Very high	94 Å²	94	45.3 Å²	45.3	41%	0.409	23%	0.231	S	C	.	.			trans	62.1	12.8	-179.6	-39.1	-53.8	174.4	-167.6	0	115.4	E292 Q397 D398 V399 T403 N406	E292-K401 HydrophobicContact CG-CG 4.29Å; E292-K401 WeakPolarHBondContact OE1-CE 3.42Å; E292-K401 IonicContact OE1-NZ 2.71Å; Q397-K401 WeakPolarHBondContact O-CA 3.32Å; Q397-K401 PolarHBondContact O-N 3.25Å; D398-K401 PolarHBondContact O-NZ 2.98Å; V399-K401 VanDerWaalsContact C-N 3.27Å; V399-K401 WeakPolarHBondContact O-CD 3.35Å; V399-K401 WeakPolarHBondContact O-CE 3.48Å; V399-K401 PolarHBondContact O-N 2.79Å; V399-K401 PolarHBondContact O-NZ 2.73Å; K401-T403 PolarHBondContact O-N 3.01Å; K401-N406 PolarHBondContact O-ND2 2.77Å
402	M	97.1	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.			trans	-98.2	81.6	179.8	-65.2	-54.9	-61.3	0	0	110.9	L294 R296 N400 N406 I407 V410	L294-M402 WeakPolarHBondContact O-CE 3.36Å; R296-M402 HydrophobicContact CB-SD 4.26Å; N400-M402 PolarHBondContact O-N 3.2Å; N400-M402 WeakPolarHBondContact OD1-CB 3.27Å; N400-M402 PolarHBondContact OD1-N 3.45Å; M402-N406 HydrophobicContact CE-CB 4.02Å; M402-N406 HydrophobicContact SD-CB 4.32Å; M402-I407 HydrophobicContact CB-CD1 4.22Å; M402-I407 HydrophobicContact CB-CG1 3.88Å; M402-I407 HydrophobicContact CE-CB 4.43Å; M402-I407 HydrophobicContact CE-CG1 3.76Å; M402-V410 HydrophobicContact CE-CG2 3.81Å
403	T	97.8	Very high	96.6	Very high	49 Å²	49	43.1 Å²	43.1	30%	0.301	22%	0.224	S	C	.	.			trans	-65.4	162.7	168.7	69.4	0	0	0	0	111.5	K401 G405 N406 I407	K401-T403 PolarHBondContact O-N 3.01Å; T403-G405 VanDerWaalsContact C-N 3.34Å; T403-G405 PolarHBondContact O-N 3.07Å; T403-N406 PolarHBondContact O-N 3.37Å; T403-N406 WeakPolarHBondContact OG1-CB 3.45Å; T403-N406 VanDerWaalsContact OG1-CG 3.31Å; T403-N406 PolarHBondContact OG1-N 3.02Å; T403-I407 WeakPolarHBondContact O-CG1 3.49Å; T403-I407 PolarHBondContact O-N 3.44Å
404	P	97.5	Very high	96.5	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.097	23%	0.226	C	C	.	.	H	α-helix	trans	-49.4	-49	175.8	-27.9	33.6	0	0	0	113.6	T394 I407 A408 E440 I443 Q444	T394-P404 HydrophobicContact CG2-CB 4.45Å; T394-P404 HydrophobicContact CG2-CG 3.86Å; P404-I407 PolarHBondContact O-N 2.85Å; P404-A408 WeakPolarHBondContact O-CB 3.48Å; P404-A408 PolarHBondContact O-N 3.38Å; P404-E440 HydrophobicContact CB-CG 4.07Å; P404-I443 HydrophobicContact CB-CG2 4.19Å; P404-Q444 HydrophobicContact CB-CB 4.43Å
405	G	97	Very high	96.5	Very high	6 Å²	6	42.9 Å²	42.9	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-40.4	174.9	0	0	0	0	0	114.3	T403 I407 A408 I409 E440	T403-G405 VanDerWaalsContact C-N 3.34Å; T403-G405 PolarHBondContact O-N 3.07Å; G405-I407 VanDerWaalsContact C-N 3.29Å; G405-I407 PolarHBondContact O-N 2.93Å; G405-A408 PolarHBondContact O-N 3.37Å; G405-I409 WeakPolarHBondContact O-CD1 3.44Å; G405-I409 VanDerWaalsContact O-CG1 3.25Å; G405-I409 WeakPolarHBondContact O-CG1 3.3Å; G405-I409 PolarHBondContact O-N 2.91Å; G405-E440 WeakPolarHBondContact CA-OE1 3.38Å; G405-E440 PolarHBondContact N-OE1 3.36Å
406	N	97.2	Very high	96.4	Very high	65 Å²	65	36.9 Å²	36.9	35%	0.348	19%	0.194	S	C	.	.	H	α-helix	trans	-61.8	-38.7	175.2	-77.9	-8.9	0	0	0	111.5	K401 M402 T403 V410	K401-N406 PolarHBondContact O-ND2 2.77Å; M402-N406 HydrophobicContact CE-CB 4.02Å; M402-N406 HydrophobicContact SD-CB 4.32Å; T403-N406 PolarHBondContact O-N 3.37Å; T403-N406 WeakPolarHBondContact OG1-CB 3.45Å; T403-N406 VanDerWaalsContact OG1-CG 3.31Å; T403-N406 PolarHBondContact OG1-N 3.02Å; N406-V410 WeakPolarHBondContact O-CG2 3.5Å; N406-V410 PolarHBondContact O-N 2.7Å
407	I	97.8	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-47	174.2	-63.7	176.3	0	0	0	110.4	L390 L393 T394 M402 T403 P404 G405 I409 V410 L411 I443	L390-I407 HydrophobicContact CB-CG2 4.36Å; L390-I407 HydrophobicContact CD1-CG2 3.93Å; L390-I407 HydrophobicContact CD2-CG2 3.85Å; L390-I407 HydrophobicContact CG-CG2 4.25Å; L393-I407 HydrophobicContact CB-CD1 4.46Å; L393-I407 HydrophobicContact CD2-CD1 4.15Å; L393-I407 HydrophobicContact CG-CD1 4.45Å; T394-I407 HydrophobicContact CG2-CD1 3.54Å; M402-I407 HydrophobicContact CB-CD1 4.22Å; M402-I407 HydrophobicContact CB-CG1 3.88Å; M402-I407 HydrophobicContact CE-CB 4.43Å; M402-I407 HydrophobicContact CE-CG1 3.76Å; T403-I407 WeakPolarHBondContact O-CG1 3.49Å; T403-I407 PolarHBondContact O-N 3.44Å; P404-I407 PolarHBondContact O-N 2.85Å; G405-I407 VanDerWaalsContact C-N 3.29Å; G405-I407 PolarHBondContact O-N 2.93Å; I407-I409 VanDerWaalsContact C-N 3.32Å; I407-I409 PolarHBondContact O-N 3.01Å; I407-V410 WeakPolarHBondContact O-CG2 3.49Å; I407-V410 PolarHBondContact O-N 2.82Å; I407-V410 VanDerWaalsContact O-N 3.12Å; I407-L411 HydrophobicContact CG2-CD1 3.96Å; I407-L411 PolarHBondContact O-N 3.2Å; I407-I443 HydrophobicContact CB-CD1 4.1Å; I407-I443 HydrophobicContact CG2-CD1 3.61Å
408	A	97.2	Very high	95.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-43.2	179.6	0	0	0	0	0	112.4	P404 G405 V410 G412 V436 I439 E440	P404-A408 WeakPolarHBondContact O-CB 3.48Å; P404-A408 PolarHBondContact O-N 3.38Å; G405-A408 PolarHBondContact O-N 3.37Å; A408-V410 VanDerWaalsContact C-N 3.35Å; A408-V410 PolarHBondContact O-N 2.96Å; A408-G412 WeakPolarHBondContact O-CA 3.41Å; A408-G412 PolarHBondContact O-N 2.85Å; A408-V436 HydrophobicContact CB-CG1 4.15Å; A408-V436 HydrophobicContact CB-CG2 4.47Å; A408-I439 HydrophobicContact CB-CB 3.88Å; A408-I439 HydrophobicContact CB-CG2 3.81Å; A408-E440 HydrophobicContact CB-CB 3.9Å
409	I	94.9	Very high	94.4	Very high	100 Å²	100	35.4 Å²	35.4	51%	0.513	19%	0.187	S	C	.	.	H	α-helix	trans	-59.3	-43.1	175.8	-70.6	162.4	0	0	0	111.5	G405 I407 V436	G405-I409 WeakPolarHBondContact O-CD1 3.44Å; G405-I409 VanDerWaalsContact O-CG1 3.25Å; G405-I409 WeakPolarHBondContact O-CG1 3.3Å; G405-I409 PolarHBondContact O-N 2.91Å; I407-I409 VanDerWaalsContact C-N 3.32Å; I407-I409 PolarHBondContact O-N 3.01Å; I409-V436 HydrophobicContact CB-CG2 4.29Å; I409-V436 HydrophobicContact CG1-CG1 4.32Å; I409-V436 HydrophobicContact CG1-CG2 3.6Å
410	V	95.1	Very high	92.8	Very high	21 Å²	21	38.6 Å²	38.6	13%	0.127	20%	0.202	C	C	.	.	H	α-helix	trans	-91	-23.4	-172.2	-57.1	0	0	0	0	114.4	F295 R296 K333 M402 N406 I407 A408 N414	F295-V410 HydrophobicContact CB-CB 4.48Å; F295-V410 HydrophobicContact CB-CG2 3.56Å; R296-V410 HydrophobicContact CB-CG1 4.02Å; R296-V410 HydrophobicContact CG-CG1 4.27Å; K333-V410 WeakPolarHBondContact CE-O 3.34Å; K333-V410 PolarHBondContact NZ-O 2.94Å; M402-V410 HydrophobicContact CE-CG2 3.81Å; N406-V410 WeakPolarHBondContact O-CG2 3.5Å; N406-V410 PolarHBondContact O-N 2.7Å; I407-V410 WeakPolarHBondContact O-CG2 3.49Å; I407-V410 PolarHBondContact O-N 2.82Å; I407-V410 VanDerWaalsContact O-N 3.12Å; A408-V410 VanDerWaalsContact C-N 3.35Å; A408-V410 PolarHBondContact O-N 2.96Å; V410-N414 PolarHBondContact O-ND2 3.21Å; V410-N414 VanDerWaalsContact O-ND2 3.08Å
411	L	96.1	Very high	90.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-103.9	-33.2	178.4	-79.9	179.5	0	0	0	114.1	F295 K333 L336 L390 I407 N414 L415	F295-L411 HydrophobicContact CB-CD2 4.45Å; F295-L411 HydrophobicContact CB-CG 4.28Å; F295-L411 HydrophobicContact CD1-CD1 4.16Å; F295-L411 HydrophobicContact CD1-CD2 3.79Å; F295-L411 HydrophobicContact CD1-CG 4.18Å; F295-L411 HydrophobicContact CD2-CD1 4.18Å; F295-L411 HydrophobicContact CE1-CD1 4.3Å; F295-L411 HydrophobicContact CE1-CD2 4.3Å; F295-L411 HydrophobicContact CE2-CD1 4.33Å; F295-L411 HydrophobicContact CG-CD1 4.1Å; F295-L411 HydrophobicContact CG-CD2 4.2Å; F295-L411 HydrophobicContact CG-CG 4.11Å; F295-L411 HydrophobicContact CZ-CD1 4.39Å; K333-L411 HydrophobicContact CB-CD2 3.94Å; K333-L411 HydrophobicContact CD-CD2 4.11Å; K333-L411 HydrophobicContact CG-CD2 4Å; L336-L411 HydrophobicContact CD1-CD2 4.43Å; L390-L411 HydrophobicContact CD1-CD1 3.65Å; L390-L411 HydrophobicContact CD2-CD1 3.62Å; L390-L411 HydrophobicContact CG-CD1 4.28Å; I407-L411 HydrophobicContact CG2-CD1 3.96Å; I407-L411 PolarHBondContact O-N 3.2Å; L411-N414 CarbonylContact O-C 2.83Å; L411-N414 WeakPolarHBondContact O-CA 3.49Å; L411-N414 WeakPolarHBondContact O-CB 3.24Å; L411-N414 PolarHBondContact O-N 3.07Å; L411-N414 PolarHBondContact O-ND2 3.45Å; L411-L415 HydrophobicContact CB-CD1 4.35Å; L411-L415 PolarHBondContact O-N 2.97Å
412	G	95.3	Very high	88.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-50	-47.3	-174.6	0	0	0	0	0	115.5	A408 N414 L415 L416 I435	A408-G412 WeakPolarHBondContact O-CA 3.41Å; A408-G412 PolarHBondContact O-N 2.85Å; G412-N414 PolarHBondContact O-N 3.43Å; G412-L415 PolarHBondContact O-N 3.27Å; G412-L416 PolarHBondContact O-N 3.49Å; G412-L416 VanDerWaalsContact O-N 3.1Å; G412-I435 VanDerWaalsContact C-CG2 3.45Å
413	P	92.6	Very high	86.1	Confident	54 Å²	54	51.3 Å²	51.3	35%	0.351	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-65.7	0.8	174.7	-23.7	35.3	0	0	0	115.8
414	N	94.9	Very high	84	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.048	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-115.2	4.9	174.2	-40.1	-107.9	0	0	0	110.5	L336 R337 V410 L411 G412	L336-N414 CarbonylContact C-O 3.31Å; L336-N414 HydrophobicContact CB-CB 4.34Å; L336-N414 VanDerWaalsContact CB-O 3.31Å; L336-N414 WeakPolarHBondContact CB-O 3.44Å; R337-N414 HydrophobicContact CB-CB 3.95Å; R337-N414 WeakPolarHBondContact CD-OD1 3.31Å; R337-N414 PolarHBondContact NH1-OD1 2.61Å; R337-N414 VanDerWaalsContact NH1-OD1 3.07Å; V410-N414 PolarHBondContact O-ND2 3.21Å; V410-N414 VanDerWaalsContact O-ND2 3.08Å; L411-N414 CarbonylContact O-C 2.83Å; L411-N414 WeakPolarHBondContact O-CA 3.49Å; L411-N414 WeakPolarHBondContact O-CB 3.24Å; L411-N414 PolarHBondContact O-N 3.07Å; L411-N414 PolarHBondContact O-ND2 3.45Å; G412-N414 PolarHBondContact O-N 3.43Å
415	L	96.4	Very high	81.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-30.4	179.1	-66.9	174	0	0	0	112.2	L336 P342 L343 M344 L386 L411 G412 I439	L336-L415 HydrophobicContact CD1-CD2 4.09Å; L336-L415 HydrophobicContact CD2-CD2 4.13Å; P342-L415 WeakPolarHBondContact CB-O 3.37Å; L343-L415 HydrophobicContact CB-CD2 4.31Å; L343-L415 HydrophobicContact CD2-CD2 4.06Å; L343-L415 PolarHBondContact N-O 2.92Å; M344-L415 WeakPolarHBondContact CB-O 3.37Å; M344-L415 HydrophobicContact CG-CB 4.43Å; M344-L415 WeakPolarHBondContact CG-O 3.45Å; M344-L415 PolarHBondContact N-O 2.74Å; M344-L415 VanDerWaalsContact N-O 3.15Å; M344-L415 HydrophobicContact SD-CB 3.94Å; L386-L415 HydrophobicContact CD2-CD2 3.69Å; L411-L415 HydrophobicContact CB-CD1 4.35Å; L411-L415 PolarHBondContact O-N 2.97Å; G412-L415 PolarHBondContact O-N 3.27Å; L415-I439 HydrophobicContact CB-CD1 4.4Å; L415-I439 HydrophobicContact CD1-CD1 3.92Å
416	L	94.4	Very high	79.5	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	36%	0.358	C	S	.	.			trans	-142.9	129.2	179.2	-173.7	64.8	0	0	0	110.5	M344 Y349 W352 G412 I435 I438	M344-L416 HydrophobicContact CB-CB 4.43Å; M344-L416 HydrophobicContact CB-CD1 3.99Å; M344-L416 HydrophobicContact SD-CB 4.08Å; Y349-L416 HydrophobicContact CD2-CD1 3.59Å; Y349-L416 HydrophobicContact CD2-CD2 4.32Å; Y349-L416 HydrophobicContact CD2-CG 3.76Å; Y349-L416 HydrophobicContact CE2-CD1 4.29Å; Y349-L416 HydrophobicContact CE2-CD2 4.35Å; Y349-L416 HydrophobicContact CE2-CG 3.93Å; Y349-L416 HydrophobicContact CG-CD1 4.41Å; W352-L416 HydrophobicContact CB-CD2 3.68Å; W352-L416 HydrophobicContact CG-CD1 4.47Å; W352-L416 HydrophobicContact CG-CD2 3.99Å; G412-L416 PolarHBondContact O-N 3.49Å; G412-L416 VanDerWaalsContact O-N 3.1Å; L416-I435 HydrophobicContact CD2-CG1 4.37Å; L416-I438 HydrophobicContact CD2-CD1 4.06Å
417	W	90.6	Very high	77.5	Confident	59 Å²	59	68.1 Å²	68.1	22%	0.223	37%	0.367	C	S	.	.			trans	-156.1	169.7	174.6	64.4	88.4	0	0	0	111.4	L336 L339 P342 F346 Y349	L336-W417 WeakPolarHBondContact O-CH2 3.22Å; L339-W417 WeakPolarHBondContact O-CZ2 3.41Å; P342-W417 VanDerWaalsContact CA-CH2 3.49Å; P342-W417 HydrophobicContact CB-CD2 3.98Å; P342-W417 HydrophobicContact CB-CE3 3.75Å; P342-W417 HydrophobicContact CB-CH2 4.11Å; P342-W417 HydrophobicContact CB-CZ2 4.33Å; P342-W417 HydrophobicContact CB-CZ3 3.81Å; P342-W417 HydrophobicContact CG-CD2 4.26Å; F346-W417 WeakPolarHBondContact CD1-O 3.47Å; F346-W417 AromaticContact CE1-CD1 3.74Å; F346-W417 AromaticContact CE1-NE1 3.69Å; F346-W417 WeakPolarHBondContact CE1-O 3.5Å; F346-W417 AromaticContact CZ-NE1 3.61Å; Y349-W417 WeakPolarHBondContact CD2-O 3.47Å
418	T	85.1	Confident	75.8	Confident	63 Å²	63	73.4 Å²	73.4	39%	0.387	39%	0.393	S	S	.	.			trans	-99.2	161.6	-179.9	51.8	0	0	0	0	113.1	Y349	Y349-T418 HydrophobicContact CD1-CG2 4.01Å; Y349-T418 HydrophobicContact CD2-CG2 4.04Å; Y349-T418 HydrophobicContact CE1-CG2 3.47Å; Y349-T418 VanDerWaalsContact CE1-CG2 3.47Å; Y349-T418 HydrophobicContact CE2-CG2 3.52Å; Y349-T418 HydrophobicContact CG-CG2 4.3Å
419	H	73.2	Confident	74.2	Confident	140 Å²	140	78 Å²	78	65%	0.648	42%	0.422	S	S	*	.	S	Bend	trans	-73.3	-23.6	164.7	-75.2	-58.9	0	0	0	113.9	F346 E421	F346-H419 AromaticContact CD2-CE1 3.39Å; F346-H419 WeakPolarHBondContact CD2-CE1 3.26Å; F346-H419 AromaticContact CD2-NE2 3.34Å; F346-H419 VanDerWaalsContact CD2-NE2 3.34Å; F346-H419 WeakPolarHBondContact CD2-NE2 3.28Å; F346-H419 AromaticContact CE1-CE1 3.97Å; F346-H419 AromaticContact CE1-ND1 3.88Å; F346-H419 AromaticContact CE2-CE1 3.12Å; F346-H419 WeakPolarHBondContact CE2-CE1 3.35Å; F346-H419 AromaticContact CE2-ND1 3.77Å; F346-H419 AromaticContact CE2-NE2 3.61Å; F346-H419 AromaticContact CG-CD2 3.95Å; F346-H419 AromaticContact CG-CE1 3.91Å; F346-H419 AromaticContact CG-NE2 3.54Å; F346-H419 AromaticContact CZ-CE1 3.44Å; F346-H419 VanDerWaalsContact CZ-CE1 3.44Å; F346-H419 WeakPolarHBondContact CZ-CE1 3.47Å; F346-H419 AromaticContact CZ-ND1 3.57Å; H419-E421 PolarHBondContact O-N 3.11Å
420	D	63.3	Low	73	Confident	135 Å²	135	77.4 Å²	77.4	72%	0.722	42%	0.422	S	S	*	.			trans	-77.5	89.2	-174	-85.3	-49.3	0	0	0	112.8	G422	D420-G422 PolarHBondContact O-N 3.03Å
421	E	55.7	Low	72.1	Confident	170 Å²	170	78.2 Å²	78.2	79%	0.794	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-67.2	-6.3	170.4	-60.1	-172.4	147.5	0	0	113.5	H419 N423 I424	H419-E421 PolarHBondContact O-N 3.11Å; E421-N423 PolarHBondContact O-N 3.17Å; E421-I424 HydrophobicContact CB-CD1 4.32Å; E421-I424 WeakPolarHBondContact O-CD1 3.41Å; E421-I424 WeakPolarHBondContact O-CG1 3.23Å
422	G	47.7	Very low	71.4	Confident	69 Å²	69	80.3 Å²	80.3	71%	0.711	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-77.9	-17.3	-160.4	0	0	0	0	0	117.7	D420	D420-G422 PolarHBondContact O-N 3.03Å
423	N	48.2	Very low	70.9	Confident	121 Å²	121	86.1 Å²	86.1	65%	0.647	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-142.6	25.4	-169.6	-139.7	51.6	0	0	0	114.1	E421 T425 M427	E421-N423 PolarHBondContact O-N 3.17Å; N423-T425 PolarHBondContact O-N 3.32Å; N423-M427 HydrophobicContact CB-SD 4.47Å
424	I	53.1	Low	70.8	Confident	70 Å²	70	85.5 Å²	85.5	36%	0.359	47%	0.465	S	S	.	.	H	α-helix	trans	-53.3	-54.7	-161.3	-67	169.1	0	0	0	114.5	E421 E426 M427 M428	E421-I424 HydrophobicContact CB-CD1 4.32Å; E421-I424 WeakPolarHBondContact O-CD1 3.41Å; E421-I424 WeakPolarHBondContact O-CG1 3.23Å; I424-E426 VanDerWaalsContact C-N 3.35Å; I424-E426 PolarHBondContact O-N 2.89Å; I424-E426 VanDerWaalsContact O-N 3.14Å; I424-M427 PolarHBondContact O-N 2.76Å; I424-M428 HydrophobicContact CG2-CB 4.37Å; I424-M428 HydrophobicContact CG2-CE 3.62Å; I424-M428 HydrophobicContact CG2-CG 3.74Å; I424-M428 HydrophobicContact CG2-SD 3.37Å; I424-M428 WeakPolarHBondContact CG2-SD 3.42Å; I424-M428 WeakPolarHBondContact O-CB 3.49Å; I424-M428 PolarHBondContact O-N 3.38Å
425	T	53.3	Low	70.7	Confident	132 Å²	132	85.4 Å²	85.4	81%	0.81	47%	0.465	S	S	*	.	H	α-helix	trans	-64.3	-31	-152	-35.2	0	0	0	0	115.5	N423	N423-T425 PolarHBondContact O-N 3.32Å
426	E	48.2	Very low	70.6	Confident	175 Å²	175	86.4 Å²	86.4	82%	0.818	47%	0.471	S	S	*	.	H	α-helix	trans	-96.4	-32	-178.1	-165.7	165.8	-135.6	0	0	112.2	I424	I424-E426 VanDerWaalsContact C-N 3.35Å; I424-E426 PolarHBondContact O-N 2.89Å; I424-E426 VanDerWaalsContact O-N 3.14Å
427	M	54.6	Low	70.6	Confident	111 Å²	111	87.3 Å²	87.3	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-76.5	-24.4	174.8	-64.7	-176.9	105.1	0	0	112.7	N423 I424 T429 T430 V431	N423-M427 HydrophobicContact CB-SD 4.47Å; I424-M427 PolarHBondContact O-N 2.76Å; M427-T429 VanDerWaalsContact C-N 3.28Å; M427-T429 PolarHBondContact O-N 2.83Å; M427-T430 PolarHBondContact O-N 3.43Å; M427-V431 WeakPolarHBondContact O-CG2 3.43Å; M427-V431 PolarHBondContact O-N 3.03Å
428	M	61.1	Low	70.9	Confident	112 Å²	112	84.5 Å²	84.5	55%	0.552	47%	0.469	S	S	*	.	H	α-helix	trans	-56.8	-36.8	-173.7	-121.8	-174.8	-176.5	0	0	113.7	I424 S432	I424-M428 HydrophobicContact CG2-CB 4.37Å; I424-M428 HydrophobicContact CG2-CE 3.62Å; I424-M428 HydrophobicContact CG2-CG 3.74Å; I424-M428 HydrophobicContact CG2-SD 3.37Å; I424-M428 WeakPolarHBondContact CG2-SD 3.42Å; I424-M428 WeakPolarHBondContact O-CB 3.49Å; I424-M428 PolarHBondContact O-N 3.38Å; M428-S432 WeakPolarHBondContact O-CB 3.39Å; M428-S432 PolarHBondContact O-N 2.97Å; M428-S432 PolarHBondContact O-OG 3.32Å
429	T	65.4	Low	71.5	Confident	97 Å²	97	81.5 Å²	81.5	60%	0.595	45%	0.451	S	S	*	.	H	α-helix	trans	-65.6	-49.2	179	-51.8	0	0	0	0	111.3	M427 S432 L433	M427-T429 VanDerWaalsContact C-N 3.28Å; M427-T429 PolarHBondContact O-N 2.83Å; T429-S432 PolarHBondContact O-N 2.92Å; T429-L433 HydrophobicContact CG2-CD1 4.48Å; T429-L433 WeakPolarHBondContact O-CG 3.11Å; T429-L433 PolarHBondContact O-N 3.34Å
430	T	68.9	Low	72.6	Confident	86 Å²	86	78.2 Å²	78.2	53%	0.528	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-43.9	179.7	-52	0	0	0	0	111.6	M427 L433 Q434	M427-T430 PolarHBondContact O-N 3.43Å; T430-L433 PolarHBondContact O-N 3.08Å; T430-Q434 PolarHBondContact O-N 3.43Å
431	V	75.9	Confident	74.2	Confident	39 Å²	39	72.3 Å²	72.3	24%	0.236	41%	0.405	C	S	.	.	H	α-helix	trans	-65.5	-39.4	177	172.8	0	0	0	0	111	Y349 M427 L433 Q434 I435	Y349-V431 WeakPolarHBondContact OH-CG1 3.48Å; M427-V431 WeakPolarHBondContact O-CG2 3.43Å; M427-V431 PolarHBondContact O-N 3.03Å; V431-L433 VanDerWaalsContact C-N 3.35Å; V431-L433 PolarHBondContact O-N 2.84Å; V431-Q434 PolarHBondContact O-N 3.3Å; V431-I435 HydrophobicContact CG1-CD1 3.75Å; V431-I435 HydrophobicContact CG1-CG1 4.37Å; V431-I435 WeakPolarHBondContact O-CB 3.38Å; V431-I435 VanDerWaalsContact O-CG1 3.27Å; V431-I435 WeakPolarHBondContact O-CG1 3.41Å; V431-I435 PolarHBondContact O-N 3.2Å
432	S	81.4	Confident	76.3	Confident	44 Å²	44	64.2 Å²	64.2	31%	0.308	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-40	174.8	-61.4	0	0	0	0	112	M428 T429 I435 V436	M428-S432 WeakPolarHBondContact O-CB 3.39Å; M428-S432 PolarHBondContact O-N 2.97Å; M428-S432 PolarHBondContact O-OG 3.32Å; T429-S432 PolarHBondContact O-N 2.92Å; S432-I435 PolarHBondContact O-N 2.84Å; S432-V436 VanDerWaalsContact O-CG2 3.3Å; S432-V436 WeakPolarHBondContact O-CG2 3.47Å; S432-V436 PolarHBondContact O-N 3.41Å
433	L	85.4	Confident	78.6	Confident	122 Å²	122	60.9 Å²	60.9	64%	0.639	33%	0.333	S	S	*	.	H	α-helix	trans	-65.9	-38.2	175.1	-71	169.7	0	0	0	112.2	T429 T430 V431 V436 G437	T429-L433 HydrophobicContact CG2-CD1 4.48Å; T429-L433 WeakPolarHBondContact O-CG 3.11Å; T429-L433 PolarHBondContact O-N 3.34Å; T430-L433 PolarHBondContact O-N 3.08Å; V431-L433 VanDerWaalsContact C-N 3.35Å; V431-L433 PolarHBondContact O-N 2.84Å; L433-V436 PolarHBondContact O-N 3.3Å; L433-G437 PolarHBondContact O-N 2.94Å
434	Q	90.3	Very high	81	Confident	41 Å²	41	60.7 Å²	60.7	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-44.4	172.3	-74.3	173.3	-40.3	0	0	111.6	I353 N357 T430 V431 V436 G437 I438	I353-Q434 HydrophobicContact CD1-CB 3.95Å; N357-Q434 PolarHBondContact ND2-NE2 3.07Å; N357-Q434 VanDerWaalsContact ND2-NE2 3.13Å; N357-Q434 PolarHBondContact OD1-NE2 2.91Å; T430-Q434 PolarHBondContact O-N 3.43Å; V431-Q434 PolarHBondContact O-N 3.3Å; Q434-V436 PolarHBondContact O-N 2.71Å; Q434-G437 CarbonylContact O-C 3.58Å; Q434-G437 WeakPolarHBondContact O-CA 3.15Å; Q434-G437 PolarHBondContact O-N 3.1Å; Q434-G437 VanDerWaalsContact O-N 3.15Å; Q434-I438 WeakPolarHBondContact O-CD1 3.28Å; Q434-I438 WeakPolarHBondContact O-CG1 3.25Å; Q434-I438 PolarHBondContact O-N 3.33Å
435	I	93	Very high	83	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-40.4	175.5	-69.3	167.2	0	0	0	111.6	G412 L416 V431 S432 I438 I439	G412-I435 VanDerWaalsContact C-CG2 3.45Å; L416-I435 HydrophobicContact CD2-CG1 4.37Å; V431-I435 HydrophobicContact CG1-CD1 3.75Å; V431-I435 HydrophobicContact CG1-CG1 4.37Å; V431-I435 WeakPolarHBondContact O-CB 3.38Å; V431-I435 VanDerWaalsContact O-CG1 3.27Å; V431-I435 WeakPolarHBondContact O-CG1 3.41Å; V431-I435 PolarHBondContact O-N 3.2Å; S432-I435 PolarHBondContact O-N 2.84Å; I435-I438 WeakPolarHBondContact O-CB 3.31Å; I435-I438 PolarHBondContact O-N 3.44Å; I435-I438 VanDerWaalsContact O-N 3.17Å; I435-I439 HydrophobicContact CG2-CG1 4.28Å; I435-I439 WeakPolarHBondContact O-CG1 3.19Å; I435-I439 PolarHBondContact O-N 3.45Å
436	V	93.9	Very high	85.1	Confident	21 Å²	21	54 Å²	54	13%	0.127	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-46.6	172.2	170.5	0	0	0	0	110.5	A408 I409 S432 L433 Q434 I438 I439 E440	A408-V436 HydrophobicContact CB-CG1 4.15Å; A408-V436 HydrophobicContact CB-CG2 4.47Å; I409-V436 HydrophobicContact CB-CG2 4.29Å; I409-V436 HydrophobicContact CG1-CG1 4.32Å; I409-V436 HydrophobicContact CG1-CG2 3.6Å; S432-V436 VanDerWaalsContact O-CG2 3.3Å; S432-V436 WeakPolarHBondContact O-CG2 3.47Å; S432-V436 PolarHBondContact O-N 3.41Å; L433-V436 PolarHBondContact O-N 3.3Å; Q434-V436 PolarHBondContact O-N 2.71Å; V436-I438 PolarHBondContact O-N 3.04Å; V436-I438 VanDerWaalsContact O-N 3.11Å; V436-I439 PolarHBondContact O-N 2.94Å; V436-E440 VanDerWaalsContact O-CB 3.25Å; V436-E440 WeakPolarHBondContact O-CB 3.43Å; V436-E440 PolarHBondContact O-N 3.21Å
437	G	93.6	Very high	87.3	Confident	19 Å²	19	50.4 Å²	50.4	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-7.7	175.5	0	0	0	0	0	115.9	L433 Q434 P441	L433-G437 PolarHBondContact O-N 2.94Å; Q434-G437 CarbonylContact O-C 3.58Å; Q434-G437 WeakPolarHBondContact O-CA 3.15Å; Q434-G437 PolarHBondContact O-N 3.1Å; Q434-G437 VanDerWaalsContact O-N 3.15Å; G437-P441 WeakPolarHBondContact O-CG 3.38Å
438	I	97	Very high	89.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-93.2	-54.1	169.1	-69.8	153.6	0	0	0	109.9	M344 W352 I353 L368 L416 Q434 I435 V436 P441 I442	M344-I438 HydrophobicContact CE-CG2 3.8Å; W352-I438 HydrophobicContact CB-CD1 3.91Å; W352-I438 HydrophobicContact CE3-CG2 3.93Å; W352-I438 WeakPolarHBondContact O-CD1 3.26Å; I353-I438 HydrophobicContact CD1-CD1 4.06Å; L368-I438 HydrophobicContact CD2-CB 4.34Å; L368-I438 HydrophobicContact CD2-CG1 4.13Å; L368-I438 HydrophobicContact CD2-CG2 3.98Å; L416-I438 HydrophobicContact CD2-CD1 4.06Å; Q434-I438 WeakPolarHBondContact O-CD1 3.28Å; Q434-I438 WeakPolarHBondContact O-CG1 3.25Å; Q434-I438 PolarHBondContact O-N 3.33Å; I435-I438 WeakPolarHBondContact O-CB 3.31Å; I435-I438 PolarHBondContact O-N 3.44Å; I435-I438 VanDerWaalsContact O-N 3.17Å; V436-I438 PolarHBondContact O-N 3.04Å; V436-I438 VanDerWaalsContact O-N 3.11Å; I438-P441 WeakPolarHBondContact O-CD 3.41Å; I438-P441 WeakPolarHBondContact O-CG 3.28Å; I438-I442 HydrophobicContact CG2-CD1 4.05Å; I438-I442 WeakPolarHBondContact O-CD1 3.36Å; I438-I442 VanDerWaalsContact O-CG1 3.27Å; I438-I442 WeakPolarHBondContact O-CG1 3.4Å
439	I	97.6	Very high	90.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-75.3	-39.5	-170	-60.4	-65.3	0	0	0	112.5	M344 F383 A408 L415 I435 V436 I442 I443	M344-I439 HydrophobicContact CE-CD1 4.11Å; M344-I439 HydrophobicContact SD-CD1 3.5Å; M344-I439 VanDerWaalsContact SD-CD1 3.5Å; F383-I439 HydrophobicContact CE2-CD1 4.46Å; A408-I439 HydrophobicContact CB-CB 3.88Å; A408-I439 HydrophobicContact CB-CG2 3.81Å; L415-I439 HydrophobicContact CB-CD1 4.4Å; L415-I439 HydrophobicContact CD1-CD1 3.92Å; I435-I439 HydrophobicContact CG2-CG1 4.28Å; I435-I439 WeakPolarHBondContact O-CG1 3.19Å; I435-I439 PolarHBondContact O-N 3.45Å; V436-I439 PolarHBondContact O-N 2.94Å; I439-I442 PolarHBondContact O-N 3.25Å; I439-I443 HydrophobicContact CG2-CD1 3.64Å; I439-I443 HydrophobicContact CG2-CG1 4.21Å; I439-I443 WeakPolarHBondContact O-CG1 3.4Å; I439-I443 PolarHBondContact O-N 2.96Å
440	E	97.3	Very high	92.3	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	22%	0.216	S	C	.	.	H	α-helix	trans	-57.5	-53.3	-179.2	178.3	165.9	-144.7	0	0	113.1	P404 G405 A408 V436 I442 I443 Q444	P404-E440 HydrophobicContact CB-CG 4.07Å; G405-E440 WeakPolarHBondContact CA-OE1 3.38Å; G405-E440 PolarHBondContact N-OE1 3.36Å; A408-E440 HydrophobicContact CB-CB 3.9Å; V436-E440 VanDerWaalsContact O-CB 3.25Å; V436-E440 WeakPolarHBondContact O-CB 3.43Å; V436-E440 PolarHBondContact O-N 3.21Å; E440-I442 VanDerWaalsContact C-N 3.3Å; E440-I442 PolarHBondContact O-N 2.82Å; E440-I443 PolarHBondContact O-N 3.3Å; E440-Q444 WeakPolarHBondContact O-CB 3.25Å; E440-Q444 PolarHBondContact O-N 2.99Å
441	P	97.3	Very high	93.4	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.071	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-27.9	177.7	25	-33.9	0	0	0	113.5	L365 L368 G437 I438 H445	L365-P441 HydrophobicContact CD2-CB 3.93Å; L368-P441 HydrophobicContact CD1-CG 3.87Å; G437-P441 WeakPolarHBondContact O-CG 3.38Å; I438-P441 WeakPolarHBondContact O-CD 3.41Å; I438-P441 WeakPolarHBondContact O-CG 3.28Å; P441-H445 WeakPolarHBondContact O-CB 3.36Å; P441-H445 PolarHBondContact O-CD2 3.1Å; P441-H445 PolarHBondContact O-N 2.83Å
442	I	98.1	Very high	93.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-39.6	175.4	-67.8	171.2	0	0	0	111	W352 L368 F383 I387 I438 I439 E440 A446 F449 F450	W352-I442 HydrophobicContact CZ3-CD1 3.95Å; L368-I442 HydrophobicContact CD1-CG1 4.41Å; L368-I442 HydrophobicContact CD2-CD1 4.44Å; F383-I442 HydrophobicContact CE1-CG2 4.16Å; F383-I442 HydrophobicContact CZ-CD1 4.33Å; F383-I442 HydrophobicContact CZ-CG2 4.13Å; I387-I442 HydrophobicContact CD1-CG2 3.88Å; I387-I442 HydrophobicContact CG1-CG2 3.97Å; I387-I442 HydrophobicContact CG2-CG2 3.91Å; I438-I442 HydrophobicContact CG2-CD1 4.05Å; I438-I442 WeakPolarHBondContact O-CD1 3.36Å; I438-I442 VanDerWaalsContact O-CG1 3.27Å; I438-I442 WeakPolarHBondContact O-CG1 3.4Å; I439-I442 PolarHBondContact O-N 3.25Å; E440-I442 VanDerWaalsContact C-N 3.3Å; E440-I442 PolarHBondContact O-N 2.82Å; I442-A446 VanDerWaalsContact O-CA 3.31Å; I442-A446 WeakPolarHBondContact O-CA 3.44Å; I442-A446 PolarHBondContact O-N 2.98Å; I442-F449 HydrophobicContact CB-CD2 4.46Å; I442-F449 HydrophobicContact CB-CE2 4.34Å; I442-F449 HydrophobicContact CG1-CD1 4.46Å; I442-F449 HydrophobicContact CG1-CD2 4.39Å; I442-F449 HydrophobicContact CG1-CE1 4.03Å; I442-F449 HydrophobicContact CG1-CE2 3.97Å; I442-F449 HydrophobicContact CG1-CZ 3.78Å; I442-F449 HydrophobicContact CG2-CD2 4.49Å; I442-F450 HydrophobicContact CG2-CE2 4.07Å
443	I	97.8	Very high	93.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-46.8	172.6	-65.1	171.3	0	0	0	110.5	I387 L390 T394 P404 I407 I439 E440 H445 A446	I387-I443 HydrophobicContact CD1-CG1 3.87Å; L390-I443 HydrophobicContact CB-CD1 4.16Å; L390-I443 HydrophobicContact CB-CG1 4.29Å; L390-I443 HydrophobicContact CB-CG2 4.45Å; L390-I443 HydrophobicContact CD1-CD1 4.08Å; T394-I443 HydrophobicContact CG2-CG2 4.04Å; P404-I443 HydrophobicContact CB-CG2 4.19Å; I407-I443 HydrophobicContact CB-CD1 4.1Å; I407-I443 HydrophobicContact CG2-CD1 3.61Å; I439-I443 HydrophobicContact CG2-CD1 3.64Å; I439-I443 HydrophobicContact CG2-CG1 4.21Å; I439-I443 WeakPolarHBondContact O-CG1 3.4Å; I439-I443 PolarHBondContact O-N 2.96Å; E440-I443 PolarHBondContact O-N 3.3Å; I443-H445 PolarHBondContact O-N 2.7Å; I443-A446 WeakPolarHBondContact O-CB 3.45Å; I443-A446 PolarHBondContact O-N 2.95Å
444	Q	97.2	Very high	93.9	Very high	116 Å²	116	44 Å²	44	54%	0.542	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-27.8	-176.6	-173.6	176	17.2	0	0	113.6	P404 E440	P404-Q444 HydrophobicContact CB-CB 4.43Å; E440-Q444 WeakPolarHBondContact O-CB 3.25Å; E440-Q444 PolarHBondContact O-N 2.99Å
445	H	96.5	Very high	93.7	Very high	61 Å²	61	49.3 Å²	49.3	28%	0.282	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	30.8	179.8	-56.9	-62.3	0	0	0	112.3	P441 I443 D447 W448 F449	P441-H445 WeakPolarHBondContact O-CB 3.36Å; P441-H445 PolarHBondContact O-CD2 3.1Å; P441-H445 PolarHBondContact O-N 2.83Å; I443-H445 PolarHBondContact O-N 2.7Å; H445-D447 VanDerWaalsContact C-N 3.27Å; H445-D447 PolarHBondContact O-N 3.04Å; H445-D447 VanDerWaalsContact O-N 3.12Å; H445-W448 HydrophobicContact CB-CB 4.41Å; H445-W448 WeakPolarHBondContact O-CB 3.31Å; H445-W448 PolarHBondContact O-N 2.88Å; H445-F449 HydrophobicContact CB-CD2 4.11Å; H445-F449 HydrophobicContact CB-CE2 4.07Å; H445-F449 WeakPolarHBondContact O-CD2 2.95Å; H445-F449 PolarHBondContact O-N 2.99Å
446	A	96.6	Very high	93.3	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-52	-38.5	-172.3	0	0	0	0	0	114.4	I387 I442 I443 W448 F449 F450	I387-A446 HydrophobicContact CG2-CB 3.76Å; I442-A446 VanDerWaalsContact O-CA 3.31Å; I442-A446 WeakPolarHBondContact O-CA 3.44Å; I442-A446 PolarHBondContact O-N 2.98Å; I443-A446 WeakPolarHBondContact O-CB 3.45Å; I443-A446 PolarHBondContact O-N 2.95Å; A446-W448 VanDerWaalsContact C-N 3.29Å; A446-W448 PolarHBondContact O-N 3.37Å; A446-F449 PolarHBondContact O-N 3.45Å; A446-F450 WeakPolarHBondContact O-CA 3.47Å; A446-F450 WeakPolarHBondContact O-CB 3.07Å; A446-F450 PolarHBondContact O-N 3.46Å
447	D	94.4	Very high	92.6	Very high	98 Å²	98	51.8 Å²	51.8	52%	0.524	27%	0.27	S	S	.	.	H	α-helix	trans	-71.6	-20.6	179	-62.2	-39.3	0	0	0	114	K388 H445 P451	K388-D447 IonicContact NZ-OD1 3.84Å; K388-D447 PolarHBondContact NZ-OD1 3.08Å; H445-D447 VanDerWaalsContact C-N 3.27Å; H445-D447 PolarHBondContact O-N 3.04Å; H445-D447 VanDerWaalsContact O-N 3.12Å; D447-P451 WeakPolarHBondContact O-CA 3.43Å
448	W	95.4	Very high	91.6	Very high	115 Å²	115	55.1 Å²	55.1	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-83.3	-42.1	174.1	179.6	81.2	0	0	0	111.5	L365 L369 H445 A446	L365-W448 HydrophobicContact CB-CH2 4.06Å; L365-W448 HydrophobicContact CB-CZ3 3.93Å; L369-W448 HydrophobicContact CB-CH2 3.98Å; L369-W448 HydrophobicContact CB-CZ3 4.01Å; L369-W448 HydrophobicContact CD2-CH2 3.67Å; L369-W448 HydrophobicContact CD2-CZ2 4.01Å; L369-W448 HydrophobicContact CD2-CZ3 4.16Å; L369-W448 HydrophobicContact CG-CH2 4.41Å; H445-W448 HydrophobicContact CB-CB 4.41Å; H445-W448 WeakPolarHBondContact O-CB 3.31Å; H445-W448 PolarHBondContact O-N 2.88Å; A446-W448 VanDerWaalsContact C-N 3.29Å; A446-W448 PolarHBondContact O-N 3.37Å
449	F	95.8	Very high	90.4	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.044	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-38.4	173.1	-77.1	-82	0	0	0	112.5	L365 L368 L369 I442 H445 A446	L365-F449 HydrophobicContact CD2-CE2 3.84Å; L365-F449 HydrophobicContact CD2-CZ 3.8Å; L368-F449 HydrophobicContact CB-CE1 3.77Å; L368-F449 HydrophobicContact CB-CZ 3.9Å; L368-F449 HydrophobicContact CD1-CZ 4.47Å; L369-F449 HydrophobicContact CB-CD1 4.22Å; L369-F449 HydrophobicContact CB-CE1 4.05Å; L369-F449 HydrophobicContact CD1-CD1 4Å; I442-F449 HydrophobicContact CB-CD2 4.46Å; I442-F449 HydrophobicContact CB-CE2 4.34Å; I442-F449 HydrophobicContact CG1-CD1 4.46Å; I442-F449 HydrophobicContact CG1-CD2 4.39Å; I442-F449 HydrophobicContact CG1-CE1 4.03Å; I442-F449 HydrophobicContact CG1-CE2 3.97Å; I442-F449 HydrophobicContact CG1-CZ 3.78Å; I442-F449 HydrophobicContact CG2-CD2 4.49Å; H445-F449 HydrophobicContact CB-CD2 4.11Å; H445-F449 HydrophobicContact CB-CE2 4.07Å; H445-F449 WeakPolarHBondContact O-CD2 2.95Å; H445-F449 PolarHBondContact O-N 2.99Å; A446-F449 PolarHBondContact O-N 3.45Å
450	F	95.1	Very high	88.7	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.035	32%	0.324	C	S	.	.	S	Bend	trans	-132.9	66.7	-170.1	-58.4	-59.7	0	0	0	111.7	C372 F383 K384 I387 K388 I442 A446	C372-F450 HydrophobicContact CB-CE1 4.4Å; C372-F450 HydrophobicContact CB-CZ 4.33Å; F383-F450 HydrophobicContact CD1-CE2 4.23Å; F383-F450 AromaticContact CD1-CZ 3.69Å; F383-F450 HydrophobicContact CD1-CZ 3.69Å; F383-F450 HydrophobicContact CE1-CE2 4.16Å; F383-F450 AromaticContact CE1-CZ 3.82Å; F383-F450 HydrophobicContact CE1-CZ 3.82Å; K384-F450 HydrophobicContact CB-CD1 3.7Å; K384-F450 HydrophobicContact CB-CE1 3.99Å; K384-F450 HydrophobicContact CB-CG 4Å; K384-F450 HydrophobicContact CD-CB 3.89Å; K384-F450 HydrophobicContact CD-CD1 3.86Å; K384-F450 HydrophobicContact CD-CG 4.13Å; K384-F450 HydrophobicContact CG-CB 3.87Å; K384-F450 HydrophobicContact CG-CD1 3.86Å; K384-F450 HydrophobicContact CG-CG 3.87Å; I387-F450 HydrophobicContact CB-CD2 4.18Å; I387-F450 HydrophobicContact CB-CE2 4Å; I387-F450 HydrophobicContact CG1-CE2 4.16Å; I387-F450 HydrophobicContact CG2-CD2 3.84Å; I387-F450 HydrophobicContact CG2-CE2 3.86Å; K388-F450 HydrophobicContact CG-CB 4.47Å; I442-F450 HydrophobicContact CG2-CE2 4.07Å; A446-F450 WeakPolarHBondContact O-CA 3.47Å; A446-F450 WeakPolarHBondContact O-CB 3.07Å; A446-F450 PolarHBondContact O-N 3.46Å
451	P	90.8	Very high	87	Confident	88 Å²	88	61.9 Å²	61.9	57%	0.571	34%	0.338	S	S	*	.			trans	-58.5	153.6	-177.6	23.5	-34.3	0	0	0	113.1	K384 D447	K384-P451 PolarHBondContact NZ-O 2.75Å; D447-P451 WeakPolarHBondContact O-CA 3.43Å
452	G	86.6	Confident	85.3	Confident	52 Å²	52	62.8 Å²	62.8	54%	0.536	34%	0.34	S	S	.	.	S	Bend	trans	92.7	167.2	-173.8	0	0	0	0	0	113.6	K388	K388-G452 PolarHBondContact NZ-O 3.25Å
453	E	82.8	Confident	82.8	Confident	172 Å²	172	64.2 Å²	64.2	80%	0.804	36%	0.355	S	S	*	.			trans	-81.7	162.8	172.5	-66.2	-55.2	157.3	0	0	112.2	K388	K388-E453 IonicContact NZ-OE2 2.73Å
454	I	85.8	Confident	79.9	Confident	32 Å²	32	67 Å²	67	16%	0.164	37%	0.374	C	S	.	.			trans	-126.9	130.4	171.9	-64.6	-167.5	0	0	0	109.8	K384 Y385 K388 F456	K384-I454 HydrophobicContact CD-CD1 4.31Å; K384-I454 HydrophobicContact CG-CD1 3.63Å; Y385-I454 HydrophobicContact CD2-CG2 3.66Å; Y385-I454 HydrophobicContact CE2-CG2 3.94Å; K388-I454 HydrophobicContact CB-CD1 3.83Å; K388-I454 HydrophobicContact CB-CG1 4.36Å; K388-I454 HydrophobicContact CG-CD1 3.68Å; K388-I454 HydrophobicContact CG-CG1 4.18Å; I454-F456 HydrophobicContact CB-CE1 4.34Å; I454-F456 HydrophobicContact CB-CE2 4.47Å; I454-F456 HydrophobicContact CB-CZ 4.19Å; I454-F456 HydrophobicContact CG2-CD1 3.99Å; I454-F456 HydrophobicContact CG2-CE1 3.89Å; I454-F456 HydrophobicContact CG2-CG 4.41Å; I454-F456 HydrophobicContact CG2-CZ 4.23Å; I454-F456 WeakPolarHBondContact O-CD2 2.99Å
455	E	84.6	Confident	77.1	Confident	152 Å²	152	67 Å²	67	71%	0.71	38%	0.384	S	S	*	.			trans	-82.3	116.9	167.6	-177.2	161	-144.9	0	0	109.3	V458	E455-V458 VanDerWaalsContact O-CG2 3.22Å; E455-V458 WeakPolarHBondContact O-CG2 3.38Å
456	F	85.3	Confident	74.1	Confident	29 Å²	29	69 Å²	69	13%	0.127	40%	0.4	C	S	.	.	S	Bend	trans	-93.8	13.5	-174	-64.8	-76	0	0	0	114.5	V281 T282 L285 Y385 K388 F389 K392 I454	V281-F456 HydrophobicContact CG1-CB 4.35Å; V281-F456 HydrophobicContact CG1-CD1 3.66Å; V281-F456 HydrophobicContact CG1-CE1 4.34Å; V281-F456 HydrophobicContact CG1-CG 4.32Å; T282-F456 PolarHBondContact OG1-O 3Å; L285-F456 HydrophobicContact CD1-CB 3.31Å; L285-F456 HydrophobicContact CD1-CD1 4.05Å; L285-F456 HydrophobicContact CD1-CD2 3.82Å; L285-F456 HydrophobicContact CD1-CG 3.48Å; L285-F456 VanDerWaalsContact CD1-CG 3.48Å; Y385-F456 HydrophobicContact CD2-CD1 4.4Å; Y385-F456 HydrophobicContact CE1-CD1 4.24Å; Y385-F456 AromaticContact CE2-CD1 3.84Å; Y385-F456 HydrophobicContact CE2-CD1 3.84Å; Y385-F456 AromaticContact CZ-CD1 3.74Å; Y385-F456 WeakPolarHBondContact OH-CA 3.34Å; Y385-F456 PolarHBondContact OH-O 2.63Å; Y385-F456 VanDerWaalsContact OH-O 3.09Å; K388-F456 HydrophobicContact CB-CE1 4.44Å; K388-F456 HydrophobicContact CB-CZ 4.01Å; F389-F456 HydrophobicContact CB-CD1 4.4Å; F389-F456 HydrophobicContact CB-CE1 3.74Å; F389-F456 HydrophobicContact CB-CZ 4.29Å; K392-F456 HydrophobicContact CD-CE2 4.3Å; I454-F456 HydrophobicContact CB-CE1 4.34Å; I454-F456 HydrophobicContact CB-CE2 4.47Å; I454-F456 HydrophobicContact CB-CZ 4.19Å; I454-F456 HydrophobicContact CG2-CD1 3.99Å; I454-F456 HydrophobicContact CG2-CE1 3.89Å; I454-F456 HydrophobicContact CG2-CG 4.41Å; I454-F456 HydrophobicContact CG2-CZ 4.23Å; I454-F456 WeakPolarHBondContact O-CD2 2.99Å
457	N	78.6	Confident	70.9	Confident	51 Å²	51	77 Å²	77	27%	0.273	44%	0.437	S	S	.	.			trans	-136.3	52.3	175.1	-170.6	21.1	0	0	0	109.3	T282 T459 G460 N461	T282-N457 HydrophobicContact CG2-CB 4.11Å; N457-T459 PolarHBondContact O-N 2.71Å; N457-G460 PolarHBondContact ND2-O 2.75Å; N457-G460 WeakPolarHBondContact O-CA 3.07Å; N457-G460 PolarHBondContact O-N 2.62Å; N457-G460 VanDerWaalsContact OD1-CA 3.3Å; N457-G460 WeakPolarHBondContact OD1-CA 2.98Å; N457-G460 PolarHBondContact OD1-N 2.98Å; N457-N461 PolarHBondContact OD1-N 2.89Å
458	V	73.6	Confident	67.8	Low	90 Å²	90	77.4 Å²	77.4	55%	0.545	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.8	-173.2	-171.3	0	0	0	0	112	E278 Y385 E455	E278-V458 PolarHBondContact OE1-N 3.24Å; Y385-V458 HydrophobicContact CE2-CG2 4.34Å; E455-V458 VanDerWaalsContact O-CG2 3.22Å; E455-V458 WeakPolarHBondContact O-CG2 3.38Å
459	T	70.6	Confident	64.5	Low	50 Å²	50	78.8 Å²	78.8	31%	0.307	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.5	175.9	-41.3	0	0	0	0	113.1	R271 E278 N457 N461 Y462	R271-T459 PolarHBondContact NH2-OG1 2.94Å; E278-T459 VanDerWaalsContact CD-OG1 3.25Å; E278-T459 VanDerWaalsContact OE1-CB 3.29Å; E278-T459 WeakPolarHBondContact OE1-CB 3.14Å; E278-T459 PolarHBondContact OE1-N 3.47Å; E278-T459 PolarHBondContact OE1-OG1 3.33Å; E278-T459 PolarHBondContact OE2-OG1 2.76Å; N457-T459 PolarHBondContact O-N 2.71Å; T459-N461 HydrophobicContact CG2-CB 4.1Å; T459-N461 PolarHBondContact O-N 2.69Å; T459-N461 VanDerWaalsContact O-N 3.12Å; T459-N461 PolarHBondContact O-OD1 3.08Å; T459-Y462 HydrophobicContact CG2-CE2 4.09Å
460	G	63.6	Low	61.2	Low	47 Å²	47	87 Å²	87	49%	0.485	50%	0.497	S	S	.	.	S	Bend	trans	74.4	-17.1	-171.7	0	0	0	0	0	115.6	N457	N457-G460 PolarHBondContact ND2-O 2.75Å; N457-G460 WeakPolarHBondContact O-CA 3.07Å; N457-G460 PolarHBondContact O-N 2.62Å; N457-G460 VanDerWaalsContact OD1-CA 3.3Å; N457-G460 WeakPolarHBondContact OD1-CA 2.98Å; N457-G460 PolarHBondContact OD1-N 2.98Å
461	N	61.3	Low	58.2	Low	116 Å²	116	94 Å²	94	62%	0.62	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.6	-160.6	-76.8	-0.3	0	0	0	117	N457 T459	N457-N461 PolarHBondContact OD1-N 2.89Å; T459-N461 HydrophobicContact CG2-CB 4.1Å; T459-N461 PolarHBondContact O-N 2.69Å; T459-N461 VanDerWaalsContact O-N 3.12Å; T459-N461 PolarHBondContact O-OD1 3.08Å
462	Y	61.6	Low	55.4	Low	30 Å²	30	94.1 Å²	94.1	12%	0.118	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	15.4	-166.9	-47.9	-61.7	0	0	0	114.3	F275 A279 T282 L316 T459	F275-Y462 HydrophobicContact CD2-CE1 4.49Å; F275-Y462 HydrophobicContact CD2-CE2 4.27Å; F275-Y462 AromaticContact CD2-CZ 3.88Å; F275-Y462 HydrophobicContact CE2-CD1 4.5Å; F275-Y462 AromaticContact CE2-CE1 3.66Å; F275-Y462 HydrophobicContact CE2-CE1 3.66Å; F275-Y462 HydrophobicContact CE2-CE2 4.19Å; F275-Y462 AromaticContact CE2-CZ 3.48Å; F275-Y462 VanDerWaalsContact CE2-CZ 3.48Å; F275-Y462 WeakPolarHBondContact CE2-OH 3.39Å; F275-Y462 HydrophobicContact CZ-CE1 4.5Å; A279-Y462 HydrophobicContact CB-CD1 4.44Å; A279-Y462 HydrophobicContact CB-CD2 4.42Å; A279-Y462 HydrophobicContact CB-CG 4.29Å; T282-Y462 WeakPolarHBondContact CG2-O 3.32Å; L316-Y462 HydrophobicContact CD2-CD1 4.14Å; T459-Y462 HydrophobicContact CG2-CE2 4.09Å
463	G	44.3	Very low	52.6	Low	30 Å²	30	98.6 Å²	98.6	31%	0.309	56%	0.555	S	S	.	*	S	Bend	trans	-101	157.3	174.3	0	0	0	0	0	113.8	E286	E286-G463 WeakPolarHBondContact OE1-CA 3.34Å
464	S	36.5	Very low	50	Low	57 Å²	57	101.9 Å²	101.9	40%	0.399	56%	0.561	S	S	.	*			trans	-74.1	136	-173.2	-170.7	0	0	0	0	113.2	E286 V466	E286-S464 VanDerWaalsContact CD-N 3.28Å; E286-S464 PolarHBondContact OE1-N 2.78Å; E286-S464 WeakPolarHBondContact OE2-CB 3.35Å; E286-S464 PolarHBondContact OE2-N 3.09Å; S464-V466 PolarHBondContact O-N 2.67Å
465	P	38.7	Very low	47.3	Very low	117 Å²	117	105.2 Å²	105.2	76%	0.76	59%	0.588	S	S	*	*			trans	-79.1	53.1	-176.7	34.2	-37.6	0	0	0	113.2
466	V	33.5	Very low	44.7	Very low	103 Å²	103	105.7 Å²	105.7	62%	0.624	59%	0.594	S	S	*	*			trans	-102.4	108.7	179.7	179.1	0	0	0	0	109.9	S464	S464-V466 PolarHBondContact O-N 2.67Å
467	H	30.9	Very low	42	Very low	170 Å²	170	113 Å²	113	79%	0.787	63%	0.631	S	S	*	*	S	Bend	trans	78	35	178	-59.9	-59.9	0	0	0	119.5	N469	H467-N469 PolarHBondContact O-N 3.23Å
468	T	28.9	Very low	39.7	Very low	106 Å²	106	116.1 Å²	116.1	65%	0.65	65%	0.654	S	S	*	*			trans	-83.6	90.3	155.1	-43.2	0	0	0	0	110.8	H470	T468-H470 PolarHBondContact O-N 2.83Å; T468-H470 PolarHBondContact O-ND1 2.58Å; T468-H470 VanDerWaalsContact O-ND1 3.08Å
469	N	24.9	Very low	37.6	Very low	144 Å²	144	117.5 Å²	117.5	77%	0.77	67%	0.668	S	S	*	*			trans	-57.9	107.9	176.3	-92.6	-34.1	0	0	0	111.5	H467 N471	H467-N469 PolarHBondContact O-N 3.23Å; N469-N471 PolarHBondContact O-N 2.89Å
470	H	26.9	Very low	36.1	Very low	184 Å²	184	120.7 Å²	120.7	85%	0.852	69%	0.69	S	S	*	*	S	Bend	trans	-75.4	63.8	176.9	-85.9	60.6	0	0	0	112.3	T468	T468-H470 PolarHBondContact O-N 2.83Å; T468-H470 PolarHBondContact O-ND1 2.58Å; T468-H470 VanDerWaalsContact O-ND1 3.08Å
471	N	31.6	Very low	34.6	Very low	155 Å²	155	125.8 Å²	125.8	83%	0.829	71%	0.705	S	S	*	*			trans	-155.2	64.7	168.5	-168.4	17.7	0	0	0	112.5	N469	N469-N471 PolarHBondContact O-N 2.89Å
472	A	32.8	Very low	33.3	Very low	89 Å²	89	127.6 Å²	127.6	74%	0.736	71%	0.712	S	S	*	*	S	Bend	trans	-148.9	22.4	179.2	0	0	0	0	0	115.4
473	N	28.8	Very low	31.7	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	74%	0.74	S	S	*	*			trans	-165.6	83.8	161.3	-111.5	-24.6	0	0	0	113.4
474	Y	26.7	Very low	31.3	Very low	241 Å²	241	140.4 Å²	140.4	95%	0.945	77%	0.769	S	S	*	*			trans	-147.4	75	154.8	-114.1	-77.7	0	0	0	109.3	L476	Y474-L476 PolarHBondContact O-N 3.14Å
475	S	29	Very low	31.1	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	79%	0.786	S	S	*	*			trans	-81.7	103.6	-179.3	-67.1	0	0	0	0	111.6
476	L	30	Very low	30.6	Very low	161 Å²	161	145.6 Å²	145.6	84%	0.843	79%	0.79	S	S	*	*			trans	51.3	100	146.2	-58.7	171.7	0	0	0	118	Y474	Y474-L476 PolarHBondContact O-N 3.14Å
477	M	28.5	Very low	30.4	Very low	183 Å²	183	150.8 Å²	150.8	90%	0.901	80%	0.799	S	S	*	*			trans	-128.9	142.1	140.8	-84.5	-66.7	173.5	0	0	109.1
478	P	30.6	Very low	30.2	Very low	116 Å²	116	153.4 Å²	153.4	75%	0.753	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81.5	144.2	-172.3	32.4	-35	0	0	0	113
479	S	30.8	Very low	30.1	Very low	119 Å²	119	157.1 Å²	157.1	83%	0.832	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76	143.9	172.4	-52.7	0	0	0	0	112.5
480	P	37.4	Very low	30.2	Very low	118 Å²	118	156.9 Å²	156.9	77%	0.766	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-94.9	153.5	142.4	34.9	-28.8	0	0	0	110.9
481	D	33.5	Very low	30.1	Very low	153 Å²	153	154.8 Å²	154.8	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.1	155.6	169.5	-78.8	-62.2	0	0	0	112.6
482	M	32.5	Very low	30.1	Very low	155 Å²	155	155.4 Å²	155.4	76%	0.764	80%	0.803	S	S	*	*				176.2	128.4	109.2	-87.1	-60.5	-78.8	0	0	112.4
483	D	29.4	Very low	30	Very low	132 Å²	132	155.5 Å²	155.5	71%	0.706	80%	0.799	S	S	*	*			trans	44.3	128.1	157.4	-66.6	-30.1	0	0	0	123.5
484	Q	36	Very low	30.2	Very low	196 Å²	196	160.6 Å²	160.6	92%	0.916	81%	0.807	S	S	*	*			trans	-84.1	123	156	-63.9	177.4	4.5	0	0	110.3
485	V	31.4	Very low	30.4	Very low	123 Å²	123	159.9 Å²	159.9	75%	0.745	80%	0.803	S	S	*	*			trans	-134.2	127.6	158.3	-177.2	0	0	0	0	111.5
486	D	29.3	Very low	30.6	Very low	160 Å²	160	160.8 Å²	160.8	86%	0.856	81%	0.806	S	S	*	*			trans	69.8	152.1	165.6	-95.8	-50	0	0	0	123.1
487	R	29	Very low	30.8	Very low	213 Å²	213	160.2 Å²	160.2	80%	0.804	80%	0.803	S	S	*	*			trans	-164.1	109.4	-155.7	171.1	-166.2	-178	-178.2	4.6	110.3
488	R	26.8	Very low	31.5	Very low	225 Å²	225	156 Å²	156	85%	0.849	79%	0.792	S	S	*	*			trans	169.3	155	146.9	-96	150.4	-159.5	-98.9	6	113.8
489	Q	25.8	Very low	32	Very low	184 Å²	184	155.6 Å²	155.6	86%	0.86	79%	0.787	S	S	*	*			trans	68.3	141.9	161.7	-72.2	168.7	-5.9	0	0	116.5
490	N	26.5	Very low	32.5	Very low	138 Å²	138	152.9 Å²	152.9	74%	0.738	77%	0.772	S	S	*	*			cis	-140.9	144.6	-0.3	-165.8	30.7	0	0	0	110.9
491	D	26.3	Very low	33	Very low	141 Å²	141	151.8 Å²	151.8	75%	0.754	76%	0.763	S	S	*	*			trans	-115.6	117.7	176.5	178.5	9.7	0	0	0	110.6	S493	D491-S493 PolarHBondContact OD1-N 3.25Å
492	Q	30.4	Very low	33.4	Very low	167 Å²	167	150 Å²	150	78%	0.78	75%	0.754	S	S	*	*			trans	-144.3	78.4	162.5	-72.1	-161.4	-2.8	0	0	111.4
493	S	30.8	Very low	33.8	Very low	92 Å²	92	147.4 Å²	147.4	64%	0.643	74%	0.743	S	S	*	*			trans	34.5	104.8	137.1	66	0	0	0	0	118.5	D491	D491-S493 PolarHBondContact OD1-N 3.25Å
494	R	33.6	Very low	34.8	Very low	253 Å²	253	148.1 Å²	148.1	96%	0.955	74%	0.743	S	S	*	*			trans	-59.9	150.1	160.4	-73.8	180	169.1	-171.2	-3.4	111.1
495	R	31.2	Very low	35.3	Very low	225 Å²	225	143.7 Å²	143.7	85%	0.849	72%	0.724	S	S	*	*			trans	-115	152.1	164.8	-72.1	-176	176.9	177.5	-0.4	110.6
496	P	32.8	Very low	36	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	72%	0.715	S	S	*	*			trans	-67.4	147.8	-179.5	-20.7	33.8	0	0	0	113.8	S498	P496-S498 VanDerWaalsContact C-N 3.3Å; P496-S498 PolarHBondContact O-N 2.8Å
497	L	35.1	Very low	36.7	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	1.8	-169.6	-79	162.4	0	0	0	116.3	V499 A500	L497-V499 PolarHBondContact O-N 3Å; L497-A500 PolarHBondContact O-N 3.4Å
498	S	43.1	Very low	37.2	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	69%	0.687	S	S	*	*	H	α-helix	trans	-57	-23.2	-167.6	-156.2	0	0	0	0	115.9	P496	P496-S498 VanDerWaalsContact C-N 3.3Å; P496-S498 PolarHBondContact O-N 2.8Å
499	V	40.6	Very low	38.1	Very low	107 Å²	107	133.9 Å²	133.9	65%	0.648	68%	0.678	S	S	*	*	H	α-helix	trans	-92.8	-11.1	-172.8	-173.2	0	0	0	0	113.1	L497 N503	L497-V499 PolarHBondContact O-N 3Å; V499-N503 PolarHBondContact O-ND2 3.07Å
500	A	41.8	Very low	39.1	Very low	62 Å²	62	131.5 Å²	131.5	51%	0.512	67%	0.665	S	S	.	*	H	α-helix	trans	-73.4	-42.8	-178.8	0	0	0	0	0	112.5	L497 M504	L497-A500 PolarHBondContact O-N 3.4Å; A500-M504 PolarHBondContact O-N 2.9Å
501	T	47.3	Very low	39.9	Very low	94 Å²	94	130.9 Å²	130.9	58%	0.577	66%	0.656	S	S	*	*	H	α-helix	trans	-67.3	-43.7	-170.5	-36.1	0	0	0	0	112.9	N503 M504 M505	T501-N503 VanDerWaalsContact C-N 3.33Å; T501-N503 PolarHBondContact O-N 2.77Å; T501-M504 PolarHBondContact O-N 3.32Å; T501-M504 VanDerWaalsContact O-N 3.16Å; T501-M505 PolarHBondContact O-N 2.77Å
502	D	40.7	Very low	40.7	Very low	117 Å²	117	127.4 Å²	127.4	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-61.6	-39.5	-178.4	-72.2	-16.7	0	0	0	112.6	M504 M505 L506	D502-M504 VanDerWaalsContact C-N 3.33Å; D502-M504 PolarHBondContact O-N 3.43Å; D502-M505 PolarHBondContact O-N 3.05Å; D502-L506 WeakPolarHBondContact O-CB 3.5Å; D502-L506 PolarHBondContact O-N 3.37Å
503	N	42.9	Very low	41.2	Very low	100 Å²	100	121 Å²	121	54%	0.535	62%	0.616	S	S	.	*	H	α-helix	trans	-65.8	-37.5	177.7	-76.1	-74.8	0	0	0	111.7	V499 T501 L506 E507	V499-N503 PolarHBondContact O-ND2 3.07Å; T501-N503 VanDerWaalsContact C-N 3.33Å; T501-N503 PolarHBondContact O-N 2.77Å; N503-L506 PolarHBondContact O-N 2.8Å; N503-E507 PolarHBondContact O-N 3.47Å
504	M	50.3	Low	41.8	Very low	146 Å²	146	122.1 Å²	122.1	72%	0.719	61%	0.614	S	S	*	*	H	α-helix	trans	-70.7	-40.7	179.3	-156.8	172.4	-164.6	0	0	111.8	A500 T501 D502 F508	A500-M504 PolarHBondContact O-N 2.9Å; T501-M504 PolarHBondContact O-N 3.32Å; T501-M504 VanDerWaalsContact O-N 3.16Å; D502-M504 VanDerWaalsContact C-N 3.33Å; D502-M504 PolarHBondContact O-N 3.43Å; M504-F508 PolarHBondContact O-N 3.44Å; M504-F508 VanDerWaalsContact O-N 3.09Å
505	M	46.4	Very low	42.2	Very low	104 Å²	104	117.9 Å²	117.9	51%	0.512	60%	0.598	S	S	.	*	H	α-helix	trans	-62.2	-42.2	172	-80.5	-75.3	-83	0	0	112.2	T501 D502 F508 Y509	T501-M505 PolarHBondContact O-N 2.77Å; D502-M505 PolarHBondContact O-N 3.05Å; M505-F508 WeakPolarHBondContact O-CB 3.21Å; M505-F508 PolarHBondContact O-N 3.01Å; M505-F508 VanDerWaalsContact O-N 3.16Å; M505-Y509 HydrophobicContact CE-CE2 3.95Å; M505-Y509 WeakPolarHBondContact O-CD2 3.42Å; M505-Y509 PolarHBondContact O-N 3.25Å; M505-Y509 VanDerWaalsContact O-N 3.08Å
506	L	46	Very low	42.6	Very low	105 Å²	105	115.3 Å²	115.3	55%	0.55	59%	0.593	S	S	.	*	H	α-helix	trans	-70.7	-32.7	-179	-163.6	67.6	0	0	0	113	D502 N503 K510	D502-L506 WeakPolarHBondContact O-CB 3.5Å; D502-L506 PolarHBondContact O-N 3.37Å; N503-L506 PolarHBondContact O-N 2.8Å; L506-K510 WeakPolarHBondContact O-CG 3.04Å; L506-K510 PolarHBondContact O-N 3.04Å
507	E	43	Very low	43	Very low	96 Å²	96	113.8 Å²	113.8	45%	0.449	58%	0.577	S	S	.	*	H	α-helix	trans	-60.8	-45.4	165.7	-91.6	-73.3	117.7	0	0	111.5	N503 K510 K511	N503-E507 PolarHBondContact O-N 3.47Å; E507-K510 PolarHBondContact O-N 3.36Å; E507-K511 PolarHBondContact O-N 2.77Å; E507-K511 IonicContact OE2-NZ 2.67Å; E507-K511 PolarHBondContact OE2-NZ 3.04Å
508	F	40.3	Very low	43	Very low	142 Å²	142	114.8 Å²	114.8	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-60.9	-49.7	-176.8	-138.1	-85.4	0	0	0	112.1	M504 M505 K510 K511 D512	M504-F508 PolarHBondContact O-N 3.44Å; M504-F508 VanDerWaalsContact O-N 3.09Å; M505-F508 WeakPolarHBondContact O-CB 3.21Å; M505-F508 PolarHBondContact O-N 3.01Å; M505-F508 VanDerWaalsContact O-N 3.16Å; F508-K510 VanDerWaalsContact C-N 3.31Å; F508-K510 PolarHBondContact O-N 3.03Å; F508-K511 PolarHBondContact O-N 2.89Å; F508-D512 PolarHBondContact O-N 2.92Å
509	Y	45.1	Very low	43	Very low	171 Å²	171	115 Å²	115	67%	0.671	58%	0.579	S	S	*	*	H	α-helix	trans	-63.5	-33.8	176.9	-81.8	-74	0	0	0	113	M505 G513	M505-Y509 HydrophobicContact CE-CE2 3.95Å; M505-Y509 WeakPolarHBondContact O-CD2 3.42Å; M505-Y509 PolarHBondContact O-N 3.25Å; M505-Y509 VanDerWaalsContact O-N 3.08Å; Y509-G513 PolarHBondContact O-N 3.49Å
510	K	47	Very low	42.9	Very low	134 Å²	134	116.8 Å²	116.8	58%	0.583	58%	0.582	S	S	*	*	H	α-helix	trans	-67.9	-38.6	173.9	-82	178.3	175.2	175.8	0	113.3	L506 E507 F508 I514	L506-K510 WeakPolarHBondContact O-CG 3.04Å; L506-K510 PolarHBondContact O-N 3.04Å; E507-K510 PolarHBondContact O-N 3.36Å; F508-K510 VanDerWaalsContact C-N 3.31Å; F508-K510 PolarHBondContact O-N 3.03Å; K510-I514 WeakPolarHBondContact O-CD1 3.43Å
511	K	43	Very low	42.8	Very low	126 Å²	126	117.5 Å²	117.5	55%	0.548	60%	0.595	S	S	.	*	H	α-helix	trans	-78	-41.4	-174.3	-108.3	164.1	-173	141.1	0	113.9	E507 F508	E507-K511 PolarHBondContact O-N 2.77Å; E507-K511 IonicContact OE2-NZ 2.67Å; E507-K511 PolarHBondContact OE2-NZ 3.04Å; F508-K511 PolarHBondContact O-N 2.89Å
512	D	43.4	Very low	42.2	Very low	67 Å²	67	118.1 Å²	118.1	36%	0.358	60%	0.599	S	S	.	*	H	α-helix	trans	-103.5	-20.1	-173.9	-80.3	-55.4	0	0	0	115.3	F508 I514 R515 K516	F508-D512 PolarHBondContact O-N 2.92Å; D512-I514 VanDerWaalsContact C-N 3.25Å; D512-I514 PolarHBondContact O-N 3.49Å; D512-R515 PolarHBondContact O-N 3.15Å; D512-R515 IonicContact OD1-CZ 2.65Å; D512-R515 IonicContact OD1-NE 3.82Å; D512-R515 PolarHBondContact OD1-NE 3.49Å; D512-R515 IonicContact OD1-NH2 2.83Å; D512-R515 PolarHBondContact OD1-NH2 3.42Å; D512-R515 IonicContact OD2-NH2 2.7Å; D512-R515 PolarHBondContact OD2-NH2 3.35Å; D512-K516 PolarHBondContact O-N 2.92Å
513	G	41.8	Very low	42	Very low	33 Å²	33	124.1 Å²	124.1	34%	0.34	61%	0.613	S	S	.	*	H	α-helix	trans	-57.7	-38.7	171.2	0	0	0	0	0	112.7	Y509 I517	Y509-G513 PolarHBondContact O-N 3.49Å; G513-I517 WeakPolarHBondContact O-CD1 3.41Å; G513-I517 WeakPolarHBondContact O-CG1 3.23Å
514	I	42.2	Very low	41.5	Very low	115 Å²	115	124.8 Å²	124.8	59%	0.59	62%	0.62	S	S	*	*	H	α-helix	trans	-71.2	-39.1	-178.1	-58.9	176.9	0	0	0	111.6	K510 D512 K516	K510-I514 WeakPolarHBondContact O-CD1 3.43Å; D512-I514 VanDerWaalsContact C-N 3.25Å; D512-I514 PolarHBondContact O-N 3.49Å; I514-K516 PolarHBondContact O-N 2.72Å
515	R	42.7	Very low	40.7	Very low	164 Å²	164	126.2 Å²	126.2	62%	0.619	63%	0.627	S	S	*	*	H	α-helix	trans	-70	-31.7	-176.5	-68.1	-165.7	-77.5	-147.5	0.6	113.2	D512	D512-R515 PolarHBondContact O-N 3.15Å; D512-R515 IonicContact OD1-CZ 2.65Å; D512-R515 IonicContact OD1-NE 3.82Å; D512-R515 PolarHBondContact OD1-NE 3.49Å; D512-R515 IonicContact OD1-NH2 2.83Å; D512-R515 PolarHBondContact OD1-NH2 3.42Å; D512-R515 IonicContact OD2-NH2 2.7Å; D512-R515 PolarHBondContact OD2-NH2 3.35Å
516	K	38.2	Very low	39.9	Very low	172 Å²	172	127.6 Å²	127.6	75%	0.748	64%	0.636	S	S	*	*	H	α-helix	trans	-77.8	-22.9	-177.9	-159	166	-175.1	174.4	0	113.8	D512 I514	D512-K516 PolarHBondContact O-N 2.92Å; I514-K516 PolarHBondContact O-N 2.72Å
517	I	42.1	Very low	39.2	Very low	91 Å²	91	129.1 Å²	129.1	47%	0.467	65%	0.65	S	S	.	*	H	α-helix	trans	-83.9	-34.9	-173.4	-66.4	171.8	0	0	0	112.6	G513 S519 M520 V524	G513-I517 WeakPolarHBondContact O-CD1 3.41Å; G513-I517 WeakPolarHBondContact O-CG1 3.23Å; I517-S519 PolarHBondContact O-N 3.39Å; I517-M520 PolarHBondContact O-N 3.22Å; I517-V524 HydrophobicContact CG2-CG2 3.91Å
518	Q	34.6	Very low	38.4	Very low	170 Å²	170	128.9 Å²	128.9	79%	0.794	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-68	-17.9	179.3	-68.7	-173	-9.9	0	0	113.9	M520	Q518-M520 VanDerWaalsContact C-N 3.29Å; Q518-M520 PolarHBondContact O-N 3.15Å
519	S	44	Very low	38	Very low	99 Å²	99	133.7 Å²	133.7	69%	0.692	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-77.2	-8.1	178.5	-160.9	0	0	0	0	114.3	I517	I517-S519 PolarHBondContact O-N 3.39Å
520	M	38.8	Very low	37.1	Very low	145 Å²	145	132.1 Å²	132.1	71%	0.714	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-115.6	7	-171.2	-67	-87.7	77.1	0	0	114.9	I517 Q518 V522	I517-M520 PolarHBondContact O-N 3.22Å; Q518-M520 VanDerWaalsContact C-N 3.29Å; Q518-M520 PolarHBondContact O-N 3.15Å; M520-V522 PolarHBondContact O-N 3.43Å
521	G	39.9	Very low	36.2	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	69%	0.693	S	S	*	*			trans	69.4	1.1	170.2	0	0	0	0	0	117
522	V	34.7	Very low	35.4	Very low	107 Å²	107	137.3 Å²	137.3	65%	0.648	71%	0.712	S	S	*	*			trans	-80.6	126.6	178	-178.5	0	0	0	0	110.3	M520 V524	M520-V522 PolarHBondContact O-N 3.43Å; V522-V524 PolarHBondContact O-N 3.25Å
523	R	34.7	Very low	34.7	Very low	244 Å²	244	145.9 Å²	145.9	92%	0.921	74%	0.739	S	S	*	*			trans	-79.8	114.9	171	-68.1	-168.3	-66.5	-135.9	0.5	109.9
524	V	33.9	Very low	33.9	Very low	113 Å²	113	147.7 Å²	147.7	69%	0.685	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-80.7	142.7	172	-179.5	0	0	0	0	109.6	I517 V522	I517-V524 HydrophobicContact CG2-CG2 3.91Å; V522-V524 PolarHBondContact O-N 3.25Å
525	M	32.3	Very low	33.9	Very low	176 Å²	176	148.5 Å²	148.5	87%	0.867	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-101.9	151.9	177.9	-137.7	156	-179.2	0	0	110.4
526	D	29.9	Very low	33	Very low	134 Å²	134	146.4 Å²	146.4	72%	0.717	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-68	142.1	-165.4	-162.9	-65.3	0	0	0	114.1	S528	D526-S528 WeakPolarHBondContact OD1-CB 3.36Å; D526-S528 PolarHBondContact OD1-N 3.38Å; D526-S528 VanDerWaalsContact OD1-N 3.12Å; D526-S528 PolarHBondContact OD1-OG 3.3Å
527	T	30.9	Very low	32.4	Very low	136 Å²	136	142.5 Å²	142.5	83%	0.834	78%	0.776	S	S	*	*			trans	-121.1	50.3	-176.3	46.8	0	0	0	0	113.6	W529	T527-W529 PolarHBondContact O-N 3.12Å
528	S	26.2	Very low	31.6	Very low	91 Å²	91	144.1 Å²	144.1	64%	0.636	79%	0.79	S	S	*	*			trans	-85.1	39.2	-174.6	37.4	0	0	0	0	116.7	D526	D526-S528 WeakPolarHBondContact OD1-CB 3.36Å; D526-S528 PolarHBondContact OD1-N 3.38Å; D526-S528 VanDerWaalsContact OD1-N 3.12Å; D526-S528 PolarHBondContact OD1-OG 3.3Å
529	W	31.5	Very low	31.2	Very low	243 Å²	243	147.1 Å²	147.1	92%	0.92	79%	0.794	S	S	*	*			trans	-130.7	35.5	-175.4	-86.6	98.7	0	0	0	117.6	T527	T527-W529 PolarHBondContact O-N 3.12Å
530	V	27.1	Very low	30.3	Very low	139 Å²	139	151.4 Å²	151.4	84%	0.842	80%	0.8	S	S	*	*			trans	-135.8	93.5	162.7	-170.8	0	0	0	0	112.4
531	S	27.9	Very low	29.6	Very low	117 Å²	117	150.1 Å²	150.1	82%	0.818	80%	0.801	S	S	*	*			trans	-168.9	87.3	159.4	-88.2	0	0	0	0	113.1
532	R	26.3	Very low	28.9	Very low	252 Å²	252	152 Å²	152	95%	0.951	80%	0.801	S	S	*	*			trans	-153.8	154.5	153.1	-139.4	159.8	-81.2	-129.6	3.2	111.9
533	R	28.8	Very low	28.4	Very low	246 Å²	246	152.4 Å²	152.4	93%	0.928	81%	0.809	S	S	*	*			trans	-85	163.3	-161.5	-49.8	170.5	-178.6	175.6	-2	113.7
534	G	25.7	Very low	28	Very low	72 Å²	72	147.1 Å²	147.1	74%	0.742	80%	0.804	S	S	*	*				122.6	131.7	129.4	0	0	0	0	0	117.1
535	P	41.5	Very low	28.9	Very low	132 Å²	132	147 Å²	147	86%	0.857	81%	0.806	S	S	*	*			trans	-107.6	150.9	179.8	38.5	-32	0	0	0	114.6
536	S	24.8	Very low	29.2	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	80%	0.803	S	S	*	*			trans	-167.2	124.6	151.5	-167	0	0	0	0	115
537	S	25.5	Very low	29	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	80%	0.803	S	S	*	*			trans	39.5	122.3	137.6	-150.9	0	0	0	0	124.8
538	T	24.9	Very low	28.8	Very low	125 Å²	125	144.6 Å²	144.6	77%	0.767	80%	0.803	S	S	*	*			trans	75.4	139.6	133.4	47.4	0	0	0	0	125.7
539	R	25.7	Very low	28.8	Very low	232 Å²	232	147.9 Å²	147.9	88%	0.875	81%	0.808	S	S	*	*			trans	84.5	102.2	151.3	-82	-172.6	177.7	-170.1	0.9	122.6
540	K	25	Very low	29.5	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	80%	0.795	S	S	*	*				56.5	135	120.2	-76.3	-164.1	173.8	-169.8	0	123.8
541	T	24.4	Very low	29.5	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	79%	0.788	S	S	*	*			trans	75.3	119.7	139.9	47.3	0	0	0	0	123.3
542	S	24.7	Very low	29.4	Very low	114 Å²	114	139 Å²	139	80%	0.797	78%	0.782	S	S	*	*			trans	55.8	149	140.9	60.5	0	0	0	0	120.2
543	S	24	Very low	29.5	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	78%	0.777	S	S	*	*			cis	-163.8	164.6	24.9	45.4	0	0	0	0	113.1
544	T	27.4	Very low	29.3	Very low	133 Å²	133	127.6 Å²	127.6	82%	0.816	77%	0.765	S	S	*	*			trans	-107.8	178.5	165.9	23.6	0	0	0	0	111.4
545	P	52.3	Low	29.4	Very low	111 Å²	111	128.7 Å²	128.7	72%	0.721	77%	0.767	S	S	*	*			cis	-115.6	-146.5	-40.6	30.7	-9.7	0	0	0	109.6
546	P	38.2	Very low	28.6	Very low	126 Å²	126	130.5 Å²	130.5	82%	0.818	77%	0.77	S	S	*	*				-145.7	-177.7	93	39.3	-22.5	0	0	0	115.7
547	N	26.6	Very low	28.8	Very low	132 Å²	132	128.7 Å²	128.7	71%	0.706	76%	0.762	S	S	*	*			trans	-133.8	139	-173.1	165.3	32.5	0	0	0	110.5
548	V	27.1	Very low	29.4	Very low	137 Å²	137	130.6 Å²	130.6	83%	0.83	77%	0.772	S	S	*	*			trans	-144.4	129	171.2	-176.6	0	0	0	0	111.7
549	H	26.2	Very low	29.5	Very low	160 Å²	160	132.1 Å²	132.1	74%	0.741	77%	0.774	S	S	*	*			trans	-113.3	-171.9	172	-106.9	-91	0	0	0	108.3
550	P	46	Very low	30.3	Very low	102 Å²	102	126.8 Å²	126.8	66%	0.662	77%	0.769	S	S	*	*			cis	-136.5	-157.7	-5.2	25	2.4	0	0	0	113.8
551	S	26.2	Very low	30.3	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	77%	0.771	S	S	*	*			trans	93.4	141.5	144.2	-56.8	0	0	0	0	119.8
552	T	26.6	Very low	30.5	Very low	112 Å²	112	129.3 Å²	129.3	69%	0.687	78%	0.775	S	S	*	*			cis	-170.7	149.2	-11.7	21.3	0	0	0	0	112.1
553	L	27.3	Very low	31.2	Very low	161 Å²	161	129.2 Å²	129.2	84%	0.843	77%	0.772	S	S	*	*			trans	63.2	158	149.3	-63	165.9	0	0	0	118.4
554	S	26.1	Very low	31.3	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	76%	0.763	S	S	*	*			cis	-149.4	140.3	-8.5	-98.4	0	0	0	0	107
555	A	27.8	Very low	31.1	Very low	94 Å²	94	127.2 Å²	127.2	78%	0.777	76%	0.762	S	S	*	*				72.5	111.8	69.2	0	0	0	0	0	116.1
556	D	23.4	Very low	29.9	Very low	171 Å²	171	129.8 Å²	129.8	91%	0.914	76%	0.762	S	S	*	*			trans	-166	168.4	135.5	-134.3	-26.7	0	0	0	113.6
557	A	28.8	Very low	29.4	Very low	80 Å²	80	133.8 Å²	133.8	66%	0.661	76%	0.762	S	S	*	*			trans	-139.1	-176.5	178	0	0	0	0	0	111.3
558	P	37.9	Very low	29.4	Very low	131 Å²	131	131.9 Å²	131.9	85%	0.851	77%	0.765	S	S	*	*				-154.2	-159.7	62.9	42.1	-17.9	0	0	0	116.9
559	I	27.5	Very low	29.6	Very low	158 Å²	158	130.9 Å²	130.9	81%	0.81	76%	0.764	S	S	*	*			trans	-132.9	134	-164.7	-76.9	166.9	0	0	0	110.3
560	P	43.3	Very low	30.7	Very low	120 Å²	120	129.3 Å²	129.3	78%	0.779	77%	0.768	S	S	*	*				-138.6	-158.7	96.2	28.9	-5	0	0	0	111.8
561	E	24.9	Very low	30.2	Very low	184 Å²	184	129.7 Å²	129.7	86%	0.86	77%	0.773	S	S	*	*			cis	-143	171.6	18.7	-86.1	-159.8	121.2	0	0	114.4
562	Q	27.1	Very low	31.2	Very low	176 Å²	176	131 Å²	131	82%	0.822	78%	0.779	S	S	*	*			trans	-140.5	-171.6	175.8	-119.1	-166.6	0.7	0	0	107.5
563	P	39.4	Very low	31.6	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	78%	0.784	S	S	*	*			cis	-141.5	-174.3	15	44	-24.6	0	0	0	117.1
564	G	26	Very low	32.7	Very low	60 Å²	60	129.7 Å²	129.7	62%	0.619	78%	0.78	S	S	*	*			trans	92	163.2	142.4	0	0	0	0	0	119.9
565	D	25.1	Very low	34.5	Very low	146 Å²	146	130.3 Å²	130.3	78%	0.781	78%	0.782	S	S	*	*			cis	-163.8	144.9	-34.1	-113.4	-26.3	0	0	0	112.2
566	F	26.1	Very low	36.1	Very low	165 Å²	165	131.1 Å²	131.1	72%	0.724	78%	0.779	S	S	*	*			trans	3.2	146.3	165	-77.2	-80.4	0	0	0	127.2
567	Y	27.3	Very low	36.4	Very low	210 Å²	210	128.7 Å²	128.7	82%	0.824	77%	0.771	S	S	*	*			trans	88.5	129.6	136.6	-84.4	-55.1	0	0	0	125.1
568	A	27.1	Very low	36.4	Very low	92 Å²	92	129.3 Å²	129.3	76%	0.76	77%	0.77	S	S	*	*			trans	85.4	136.6	136.8	0	0	0	0	0	123.2
569	S	31.1	Very low	36.1	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	77%	0.765	S	S	*	*			trans	-91.7	166.6	161.5	-27.4	0	0	0	0	110.1
570	P	49.4	Very low	36.2	Very low	127 Å²	127	126.5 Å²	126.5	83%	0.825	76%	0.758	S	S	*	*				-151.7	-173.8	65.6	40.9	-19.5	0	0	0	116.8
571	S	35.1	Very low	35.7	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	76%	0.761	S	S	*	*			trans	-76.8	166.8	173.4	-33.9	0	0	0	0	113.4
572	P	48.6	Very low	35.8	Very low	126 Å²	126	127 Å²	127	82%	0.818	76%	0.756	S	S	*	*				-152.8	-174.9	82.1	40.8	-20.5	0	0	0	117.6
573	T	35.2	Very low	35.8	Very low	127 Å²	127	123.3 Å²	123.3	78%	0.779	75%	0.75	S	S	*	*			trans	-80.3	177.5	-179.5	-13.7	0	0	0	0	114.1
574	P	50.1	Low	35.2	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	75%	0.75	S	S	*	*				-153.5	-147	78.5	47.7	-24.1	0	0	0	115.3
575	P	63.5	Low	35.3	Very low	113 Å²	113	127.6 Å²	127.6	73%	0.734	76%	0.756	S	S	*	*				-133.4	-155.1	-123.3	41.2	-15.8	0	0	0	114
576	P	60.6	Low	35.3	Very low	111 Å²	111	129.3 Å²	129.3	72%	0.721	76%	0.756	S	S	*	*			cis	-121.9	-139	-5.9	27.2	0.2	0	0	0	111.9
577	T	30.9	Very low	35.3	Very low	120 Å²	120	128.4 Å²	128.4	74%	0.736	76%	0.759	S	S	*	*			cis	-168.6	168	4.5	1.2	0	0	0	0	106.6
578	S	29.2	Very low	35.2	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	75%	0.753	S	S	*	*			cis	-177.7	145.4	-24	48.2	0	0	0	0	111.3
579	S	31.6	Very low	35.1	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	75%	0.749	S	S	*	*			trans	64.3	143.4	149.9	-70.5	0	0	0	0	121.9
580	D	28.9	Very low	34.9	Very low	125 Å²	125	129.7 Å²	129.7	67%	0.668	75%	0.745	S	S	*	*			cis	-162.3	175.7	-10.2	-125.5	-62.9	0	0	0	115.8
581	R	32.1	Very low	33.9	Very low	222 Å²	222	128.5 Å²	128.5	84%	0.838	74%	0.74	S	S	*	*			trans	-21.9	150.6	169.9	-73.9	158.4	153.6	162.6	-8.3	120.5
582	A	27.3	Very low	34.3	Very low	92 Å²	92	129.4 Å²	129.4	76%	0.76	74%	0.743	S	S	*	*			cis	84.1	140	36	0	0	0	0	0	115.2
583	S	28	Very low	33.2	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	74%	0.743	S	S	*	*			cis	-171.2	-165.5	0.8	53	0	0	0	0	113.9
584	T	26.4	Very low	32.9	Very low	119 Å²	119	132.1 Å²	132.1	73%	0.73	75%	0.749	S	S	*	*			trans	87.1	131.8	147.8	34.6	0	0	0	0	125.4
585	L	27.9	Very low	31.8	Very low	144 Å²	144	129.7 Å²	129.7	75%	0.754	75%	0.746	S	S	*	*			trans	84.5	120.8	138.2	-74.3	166.7	0	0	0	125.6
586	K	25.1	Very low	30.1	Very low	181 Å²	181	132.9 Å²	132.9	79%	0.787	75%	0.751	S	S	*	*			trans	65.2	128.5	135.6	-86.1	-176.8	178.4	179.7	0	123.9
587	N	25.9	Very low	28.5	Very low	147 Å²	147	136.9 Å²	136.9	79%	0.786	76%	0.757	S	S	*	*				117.8	125.7	119.2	-114.1	-2.2	0	0	0	121.8
588	K	25.9	Very low	28.2	Very low	161 Å²	161	134.8 Å²	134.8	70%	0.7	76%	0.759	S	S	*	*			trans	86.5	105	131.1	-156.7	163.8	-165.3	-175	0	123
589	E	24.4	Very low	28.1	Very low	143 Å²	143	137.6 Å²	137.6	67%	0.668	77%	0.766	S	S	*	*			trans	43.4	132.2	133	-62.6	-176.6	108	0	0	124.6
590	L	27.2	Very low	27.9	Very low	140 Å²	140	141.6 Å²	141.6	73%	0.733	77%	0.773	S	S	*	*			trans	63.7	115	132.9	-63.6	170.9	0	0	0	121.5
591	S	28.6	Very low	27.7	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	78%	0.775	S	S	*	*				42.1	136.8	110.2	-58.4	0	0	0	0	120
592	P	42.4	Very low	27.5	Very low	131 Å²	131	135 Å²	135	85%	0.851	78%	0.775	S	S	*	*				-142.8	-177.6	61.1	39.5	-21	0	0	0	117.8
593	V	26.9	Very low	27.4	Very low	134 Å²	134	136.9 Å²	136.9	81%	0.812	78%	0.777	S	S	*	*			trans	-90.7	142.7	-170.7	171.2	0	0	0	0	113.3
594	I	28.8	Very low	27.3	Very low	175 Å²	175	138.3 Å²	138.3	90%	0.897	78%	0.782	S	S	*	*			trans	-173.9	147.7	149.9	-92.6	144.4	0	0	0	105.7
595	G	25.9	Very low	28.1	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	79%	0.785	S	S	*	*			cis	175	132.6	-6.6	0	0	0	0	0	109.7
596	Q	27.5	Very low	28.1	Very low	180 Å²	180	137.5 Å²	137.5	84%	0.841	79%	0.79	S	S	*	*			trans	-47.1	147.5	-169.3	-56	169.1	-15.5	0	0	118.4
597	K	27	Very low	28.2	Very low	195 Å²	195	132.1 Å²	132.1	85%	0.848	79%	0.786	S	S	*	*				168	132.6	108.1	-92.8	175.1	-179.8	177.9	0	116.6
598	G	25	Very low	28.4	Very low	76 Å²	76	134.7 Å²	134.7	78%	0.784	79%	0.793	S	S	*	*			trans	70.3	170.1	150.8	0	0	0	0	0	119.8
599	L	27.4	Very low	28.5	Very low	151 Å²	151	131.9 Å²	131.9	79%	0.791	79%	0.794	S	S	*	*			cis	-169.5	130.6	-19.8	-121.1	171.3	0	0	0	111.8
600	Q	26.6	Very low	28.9	Very low	189 Å²	189	132.6 Å²	132.6	88%	0.883	80%	0.797	S	S	*	*			trans	57.7	154.4	156.2	-79.9	171.9	3.5	0	0	123.9
601	G	25.3	Very low	29	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	80%	0.797	S	S	*	*			trans	124	78.4	168.1	0	0	0	0	0	115.3
602	V	27.2	Very low	29	Very low	139 Å²	139	131.3 Å²	131.3	84%	0.842	78%	0.782	S	S	*	*				70.1	117.6	74.8	-175.6	0	0	0	0	115.7
603	V	25.2	Very low	28.2	Very low	133 Å²	133	127.9 Å²	127.9	81%	0.806	76%	0.755	S	S	*	*			trans	166.4	147.6	137	154.3	0	0	0	0	110.7
604	T	27.8	Very low	28.2	Very low	129 Å²	129	125.7 Å²	125.7	79%	0.791	74%	0.736	S	S	*	*			trans	-127.2	167.1	173	59.4	0	0	0	0	110.7
605	P	41.4	Very low	28.3	Very low	122 Å²	122	118 Å²	118	79%	0.792	70%	0.698	S	S	*	*				-152.5	168.6	98.6	38.4	-19.4	0	0	0	118.7
606	S	28.3	Very low	29.5	Very low	123 Å²	123	116.4 Å²	116.4	86%	0.86	68%	0.675	S	S	*	*			trans	-35.4	168.4	165.9	-46.5	0	0	0	0	120.4
607	G	26.6	Very low	29.5	Very low	68 Å²	68	113.5 Å²	113.5	70%	0.701	66%	0.661	S	S	*	*			cis	151.8	175.8	-8.8	0	0	0	0	0	116.3
608	Q	30.5	Very low	29.6	Very low	202 Å²	202	108.3 Å²	108.3	94%	0.944	65%	0.65	S	S	*	*			trans	65.4	148.4	169.2	-57.4	-170.9	-0.1	0	0	118
609	S	29.5	Very low	29.7	Very low	102 Å²	102	111.8 Å²	111.8	71%	0.713	65%	0.649	S	S	*	*			cis	-147.7	-164.8	8.7	65.6	0	0	0	0	108.6
610	Q	32.2	Very low	29.8	Very low	158 Å²	158	115.2 Å²	115.2	74%	0.738	65%	0.652	S	S	*	*			cis	-171.5	-175.2	-13.7	-120.7	-178.1	48	0	0	104.8
611	H	28.8	Very low	29.7	Very low	155 Å²	155	117.2 Å²	117.2	72%	0.718	65%	0.651	S	S	*	*			cis	-166.9	170.3	-21.8	-117.6	-6.3	0	0	0	105.9
612	S	28.2	Very low	29.9	Very low	59 Å²	59	118.1 Å²	118.1	41%	0.413	65%	0.652	S	S	.	*			cis	-164.5	142.7	-14.6	52.1	0	0	0	0	112.1	K3	K3-S612 PolarHBondContact NZ-O 2.86Å
613	E	27	Very low	29.9	Very low	60 Å²	60	121.3 Å²	121.3	28%	0.28	66%	0.655	S	S	.	*			trans	53.9	158.6	137.4	-59.6	177.5	-60.5	0	0	125.5	K3 R7	K3-E613 WeakPolarHBondContact CD-O 2.95Å; K3-E613 WeakPolarHBondContact CE-O 2.99Å; K3-E613 WeakPolarHBondContact CG-O 3.48Å; K3-E613 PolarHBondContact NZ-O 2.7Å; R7-E613 WeakPolarHBondContact CD-OE2 3.35Å; R7-E613 HydrophobicContact CG-CB 4.43Å; R7-E613 HydrophobicContact CG-CG 4.34Å; R7-E613 WeakPolarHBondContact CG-OE2 3.21Å; R7-E613 IonicContact CZ-OE1 2.74Å; R7-E613 IonicContact CZ-OE2 3.47Å; R7-E613 IonicContact NE-OE1 3.5Å; R7-E613 PolarHBondContact NE-OE1 2.84Å; R7-E613 IonicContact NE-OE2 2.89Å; R7-E613 PolarHBondContact NE-OE2 3.28Å; R7-E613 IonicContact NH2-OE1 3.24Å; R7-E613 PolarHBondContact NH2-OE1 2.8Å; R7-E613 IonicContact NH2-OE2 2.3Å
614	H	26.8	Very low	30.1	Very low	87 Å²	87	123.7 Å²	123.7	40%	0.403	65%	0.654	S	S	.	*				177.4	0	-53.2	-100.7	-7.9	0	0	0	121.4	K2 K3 Q4 F5 N6 R7 Q10	K2-H614 CarbonylContact O-C 3.39Å; K3-H614 CarbonylContact C-O 3.55Å; K3-H614 CarbonylContact O-C 3.52Å; K3-H614 PolarHBondContact O-N 3.27Å; K3-H614 VanDerWaalsContact O-N 3.15Å; Q4-H614 CarbonylContact C-O 3.6Å; Q4-H614 WeakPolarHBondContact CA-O 3.1Å; Q4-H614 PolarHBondContact N-O 2.73Å; F5-H614 CarbonylContact C-O 3.6Å; F5-H614 PolarHBondContact N-O 3.24Å; N6-H614 CarbonylContact C-O 3.6Å; N6-H614 WeakPolarHBondContact CA-O 3.47Å; N6-H614 VanDerWaalsContact CB-C 3.49Å; N6-H614 HydrophobicContact CB-CB 3.27Å; N6-H614 VanDerWaalsContact CB-ND1 3.32Å; N6-H614 WeakPolarHBondContact CB-ND1 2.92Å; N6-H614 PolarHBondContact N-O 2.7Å; R7-H614 HydrophobicContact CB-CB 4.17Å; R7-H614 HydrophobicContact CG-CB 4.46Å; R7-H614 VanDerWaalsContact N-CB 3.3Å; R7-H614 PolarHBondContact N-O 3.38Å; Q10-H614 PolarHBondContact NE2-NE2 2.93Å; Q10-H614 PolarHBondContact OE1-NE2 2.88Å
615	S	29.5	Very low	30	Very low	15 Å²	15	124.9 Å²	124.9	11%	0.105	66%	0.655	C	S	.	*	B	Isolated β-bridge		0	0	0	-161.7	0	0	0	0	126.1	M1 K2 K3 Q4 F5	M1-S615 CarbonylContact C-O 3.51Å; M1-S615 WeakPolarHBondContact CA-O 3.38Å; M1-S615 CarbonylContact O-C 3.56Å; M1-S615 VanDerWaalsContact O-C 3.31Å; M1-S615 PolarHBondContact O-OG 3.29Å; K2-S615 CarbonylContact C-O 3.47Å; K2-S615 WeakPolarHBondContact CA-O 3.18Å; K2-S615 PolarHBondContact N-O 3.03Å; K2-S615 PolarHBondContact O-N 3.33Å; K3-S615 CarbonylContact C-O 3.58Å; K3-S615 WeakPolarHBondContact CA-O 3.36Å; K3-S615 PolarHBondContact N-O 3.42Å; Q4-S615 PolarHBondContact N-O 3.37Å; F5-S615 VanDerWaalsContact CA-CA 3.42Å; F5-S615 VanDerWaalsContact CB-CA 3.49Å
616	P	51.2	Low	29.6	Very low	32 Å²	32	123.4 Å²	123.4	21%	0.208	65%	0.652	C	S	.	*				0	-158.4	0	48.3	-37.5	0	0	0	122.5	M1 Q4 F5	M1-P616 VanDerWaalsContact C-CD 3.47Å; M1-P616 HydrophobicContact CB-CG 4.17Å; M1-P616 HydrophobicContact CG-CG 3.77Å; M1-P616 VanDerWaalsContact O-CD 3.31Å; M1-P616 WeakPolarHBondContact O-CD 3.32Å; M1-P616 HydrophobicContact SD-CG 4.24Å; Q4-P616 HydrophobicContact CB-CB 3.81Å; Q4-P616 HydrophobicContact CB-CG 4.34Å; Q4-P616 HydrophobicContact CG-CB 3.96Å; F5-P616 HydrophobicContact CB-CB 4.4Å; F5-P616 WeakPolarHBondContact CB-O 3.08Å; F5-P616 WeakPolarHBondContact CD2-O 3.23Å; F5-P616 VanDerWaalsContact N-N 3.11Å
617	H	28.6	Very low	30	Very low	120 Å²	120	123.5 Å²	123.5	56%	0.556	65%	0.65	S	S	*	*			trans	-152.5	-179.9	-157.4	-118.9	26.4	0	0	0	111.3	F5 M8	F5-H617 HydrophobicContact CD2-CB 4.4Å; F5-H617 AromaticContact CD2-CE1 3.59Å; F5-H617 AromaticContact CD2-CG 3.86Å; F5-H617 AromaticContact CD2-ND1 3.11Å; F5-H617 WeakPolarHBondContact CD2-ND1 3.34Å; F5-H617 AromaticContact CE2-CE1 3.48Å; F5-H617 VanDerWaalsContact CE2-CE1 3.48Å; F5-H617 WeakPolarHBondContact CE2-CE1 3.44Å; F5-H617 AromaticContact CE2-ND1 3.39Å; F5-H617 WeakPolarHBondContact CE2-ND1 3.47Å; M8-H617 HydrophobicContact CE-CB 3.9Å; M8-H617 VanDerWaalsContact CE-CD2 3.42Å; M8-H617 WeakPolarHBondContact CE-CD2 3.28Å; M8-H617 HydrophobicContact SD-CB 3.66Å
618	S	27.8	Very low	30.3	Very low	86 Å²	86	127.8 Å²	127.8	60%	0.601	66%	0.655	S	S	*	*			cis	177.3	172.7	-28.2	-90	0	0	0	0	113.8
619	L	27.9	Very low	31.2	Very low	148 Å²	148	123.5 Å²	123.5	78%	0.775	65%	0.645	S	S	*	*			trans	89.2	131.5	158.6	-74.9	166.2	0	0	0	124.6
620	R	29.1	Very low	32.2	Very low	223 Å²	223	123.5 Å²	123.5	84%	0.842	64%	0.643	S	S	*	*			trans	70.2	155.1	152.9	-70.4	168.9	175.2	173.7	-1.8	118
621	R	25.6	Very low	32	Very low	231 Å²	231	125.6 Å²	125.6	87%	0.872	65%	0.649	S	S	*	*			cis	-153.5	123.5	7.6	-125.6	175	179	174.5	-0.7	107.7
622	A	28.6	Very low	31.9	Very low	88 Å²	88	121.3 Å²	121.3	73%	0.727	65%	0.647	S	S	*	*				71.6	112.1	87.3	0	0	0	0	0	120
623	K	28	Very low	32.7	Very low	207 Å²	207	124.2 Å²	124.2	90%	0.9	66%	0.664	S	S	*	*				156.6	141.3	129.2	-89	179.3	177.4	-178	0	117.7
624	K	28.1	Very low	32.6	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.796	69%	0.692	S	S	*	*			trans	77.8	118.5	145.3	-91.5	-166.4	160.3	-162.7	0	124.8
625	L	26.2	Very low	32.5	Very low	154 Å²	154	133.1 Å²	133.1	81%	0.806	71%	0.71	S	S	*	*			trans	69.2	147.8	133.1	-69.9	168.2	0	0	0	123
626	A	32	Very low	32.3	Very low	90 Å²	90	140.2 Å²	140.2	74%	0.744	74%	0.741	S	S	*	*			trans	-109.1	174.8	172.5	0	0	0	0	0	110.8
627	P	38.2	Very low	31.1	Very low	126 Å²	126	145.1 Å²	145.1	82%	0.818	77%	0.771	S	S	*	*				-149.9	-172	75.9	41	-20.7	0	0	0	116.6
628	I	33.3	Very low	30.9	Very low	157 Å²	157	143.2 Å²	143.2	81%	0.805	78%	0.783	S	S	*	*			trans	-90.1	-173.3	170.4	1.7	174.9	0	0	0	110.2
629	P	47.9	Very low	30.9	Very low	112 Å²	112	144.2 Å²	144.2	73%	0.727	80%	0.797	S	S	*	*			cis	-135	-126.9	-12.3	36.3	-12	0	0	0	112.2
630	P	50.9	Low	30.8	Very low	102 Å²	102	145.9 Å²	145.9	66%	0.662	80%	0.803	S	S	*	*				-118	-179.9	-67.3	33.4	-16.5	0	0	0	114.3
631	K	28.6	Very low	30.8	Very low	202 Å²	202	140 Å²	140	88%	0.878	80%	0.796	S	S	*	*				165.6	150.7	124.7	-93.3	173.7	-179.6	-178.5	0	116.1
632	G	26.6	Very low	30.7	Very low	65 Å²	65	135.8 Å²	135.8	67%	0.67	79%	0.79	S	S	*	*			trans	-119.2	-152.3	147.7	0	0	0	0	0	108.8
633	P	45.2	Very low	30.7	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	80%	0.796	S	S	*	*			cis	-133.9	-134.7	-3.6	41.5	-20.5	0	0	0	112.1
634	Y	25	Very low	30.5	Very low	221 Å²	221	135.4 Å²	135.4	87%	0.867	79%	0.789	S	S	*	*			trans	102	168.7	166.5	-92.3	-83.6	0	0	0	121
635	C	23.2	Very low	30.6	Very low	113 Å²	113	133.7 Å²	133.7	76%	0.764	79%	0.794	S	S	*	*			trans	-155	174.7	-150.7	-162.3	0	0	0	0	113
636	Q	26.6	Very low	30.7	Very low	165 Å²	165	130 Å²	130	77%	0.771	79%	0.794	S	S	*	*			trans	87.6	128.4	160.4	-72.6	-171.1	-17.9	0	0	123.4
637	T	25.5	Very low	30.5	Very low	135 Å²	135	134 Å²	134	83%	0.828	80%	0.797	S	S	*	*			trans	76.8	134.5	136.4	52.7	0	0	0	0	124.6
638	G	25	Very low	30.2	Very low	79 Å²	79	134 Å²	134	81%	0.814	80%	0.796	S	S	*	*			trans	100.7	142	161.3	0	0	0	0	0	115.4
639	A	27.1	Very low	29.9	Very low	107 Å²	107	130.8 Å²	130.8	88%	0.884	79%	0.788	S	S	*	*			cis	-157	-173.2	-10.2	0	0	0	0	0	111
640	M	26.7	Very low	29.3	Very low	184 Å²	184	130.9 Å²	130.9	91%	0.906	79%	0.789	S	S	*	*			trans	-72.9	149.7	-168.8	-58.7	169	170.4	0	0	116.1
641	S	27.9	Very low	28.2	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	79%	0.793	S	S	*	*				160.6	136.1	105.2	-108.1	0	0	0	0	116.4
642	D	24.7	Very low	28.2	Very low	142 Å²	142	127.8 Å²	127.8	76%	0.759	79%	0.79	S	S	*	*			trans	65.2	152.3	138.4	-72.7	-66.4	0	0	0	127.1
643	Q	27	Very low	28.3	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	80%	0.8	S	S	*	*			trans	66.8	95.9	158.2	-72.8	179.7	26.3	0	0	122.7
644	S	25.2	Very low	27.5	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	80%	0.802	S	S	*	*				24.4	123.2	117.5	-170.6	0	0	0	0	120.5
645	T	29.1	Very low	27.9	Very low	146 Å²	146	128.1 Å²	128.1	90%	0.896	80%	0.8	S	S	*	*				-175.9	154.2	125	18.9	0	0	0	0	113
646	G	28.5	Very low	28.3	Very low	78 Å²	78	129.1 Å²	129.1	80%	0.804	80%	0.803	S	S	*	*			trans	80.4	100.2	149.5	0	0	0	0	0	119.9
647	Q	28.6	Very low	28.7	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	80%	0.802	S	S	*	*			trans	-86.9	156.5	147.2	-99.9	-160.1	-26.8	0	0	110.3
648	P	31.6	Very low	29.1	Very low	124 Å²	124	126.4 Å²	126.4	81%	0.805	80%	0.802	S	S	*	*				-137.5	144.7	112.8	37.3	-27.6	0	0	0	114.5
649	S	27.1	Very low	29.3	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	80%	0.803	S	S	*	*			trans	-73.2	164.6	159.1	-47	0	0	0	0	110
650	P	35.7	Very low	29.8	Very low	115 Å²	115	128.7 Å²	128.7	75%	0.747	79%	0.794	S	S	*	*				-159	-178.9	85.4	42.8	-22.5	0	0	0	117.7
651	V	27	Very low	30	Very low	122 Å²	122	126.1 Å²	126.1	74%	0.739	79%	0.791	S	S	*	*			trans	69.2	122.8	161.5	-168	0	0	0	0	119.5	L653	V651-L653 HydrophobicContact CG1-CG 4.34Å
652	S	29.4	Very low	30.3	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	79%	0.791	S	S	*	*			trans	-87.3	139.4	163.9	-49.7	0	0	0	0	111.7
653	L	27.6	Very low	31.2	Very low	168 Å²	168	125.1 Å²	125.1	88%	0.88	79%	0.792	S	S	*	*			trans	-138.6	132.4	163.2	-74.8	177.3	0	0	0	110.7	V651	V651-L653 HydrophobicContact CG1-CG 4.34Å
654	S	29.1	Very low	31.2	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	80%	0.796	S	S	*	*			trans	-125.4	120.3	-179.1	54.7	0	0	0	0	111
655	P	32.4	Very low	31.4	Very low	126 Å²	126	125.9 Å²	125.9	82%	0.818	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-96.1	140.1	173.1	34.1	-29.6	0	0	0	112.6
656	T	33.3	Very low	31.3	Very low	134 Å²	134	129 Å²	129	82%	0.822	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.5	153.9	173.1	17.1	0	0	0	0	112.7
657	P	34.4	Very low	31.1	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-78.6	149.9	172.7	33.1	-34.5	0	0	0	112.3
658	P	33.1	Very low	31	Very low	127 Å²	127	133.2 Å²	133.2	83%	0.825	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.5	159	174.2	34	-35	0	0	0	113.2
659	S	29.2	Very low	31.3	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.4	165.5	-172.1	-52	0	0	0	0	115.7
660	T	37.3	Very low	31.3	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.6	172.4	175.1	53.6	0	0	0	0	113.9
661	P	31.9	Very low	30.9	Very low	131 Å²	131	135.2 Å²	135.2	85%	0.851	81%	0.808	S	S	*	*				-123.6	163.6	109.9	36.6	-34	0	0	0	113.7
662	S	33.2	Very low	31	Very low	98 Å²	98	139.6 Å²	139.6	69%	0.685	81%	0.812	S	S	*	*			trans	-114.2	-160.8	-165.8	-42.4	0	0	0	0	112.4
663	P	43.5	Very low	30.9	Very low	121 Å²	121	137.6 Å²	137.6	79%	0.786	80%	0.803	S	S	*	*			trans	-115.3	171.7	-130.5	29.6	-7.7	0	0	0	115.7
664	Y	29	Very low	30.9	Very low	235 Å²	235	135.6 Å²	135.6	92%	0.922	80%	0.798	S	S	*	*			trans	-87.1	124.6	163.2	-85.6	-90.3	0	0	0	110.7
665	G	28.3	Very low	30.8	Very low	70 Å²	70	138 Å²	138	72%	0.722	80%	0.8	S	S	*	*			trans	-105.2	145.9	169.2	0	0	0	0	0	111.5
666	F	27.9	Very low	30.5	Very low	211 Å²	211	135.3 Å²	135.3	93%	0.925	80%	0.795	S	S	*	*			trans	-95.4	133.2	168.9	-85	-88.8	0	0	0	110.2
667	S	24.4	Very low	30.1	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	80%	0.796	S	S	*	*			trans	-106.1	131.1	178.6	44	0	0	0	0	111.6
668	Y	25.8	Very low	30.7	Very low	224 Å²	224	134.7 Å²	134.7	88%	0.878	80%	0.796	S	S	*	*			trans	-100.6	136.5	166.9	-92.8	-95.4	0	0	0	109.8
669	P	36.8	Very low	30.4	Very low	124 Å²	124	133.5 Å²	133.5	81%	0.805	79%	0.791	S	S	*	*			trans	-86.7	150.6	164.3	34.7	-31.6	0	0	0	111.1
670	Q	27.6	Very low	30.4	Very low	177 Å²	177	136.5 Å²	136.5	83%	0.827	79%	0.791	S	S	*	*			trans	-120.2	143.5	178.9	-170.5	178.4	7.9	0	0	110
671	G	26.8	Very low	29.9	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	79%	0.791	S	S	*	*			trans	-168	131.6	177.6	0	0	0	0	0	113
672	Y	29	Very low	29.7	Very low	213 Å²	213	137.9 Å²	137.9	84%	0.835	79%	0.79	S	S	*	*			trans	-83.2	169.7	171.3	-64.1	-99.2	0	0	0	109.6
673	A	28.1	Very low	29.5	Very low	75 Å²	75	141.4 Å²	141.4	62%	0.62	80%	0.798	S	S	*	*			cis	-157.8	169.4	15.1	0	0	0	0	0	113.4
674	T	26.8	Very low	28.7	Very low	127 Å²	127	140 Å²	140	78%	0.779	80%	0.796	S	S	*	*			trans	49.2	122.1	149.3	59.4	0	0	0	0	122
675	I	27.2	Very low	28.7	Very low	169 Å²	169	135 Å²	135	87%	0.867	79%	0.79	S	S	*	*				-177.5	158.1	101.3	-93.2	177.6	0	0	0	109.5
676	G	25.8	Very low	28.8	Very low	69 Å²	69	137.9 Å²	137.9	71%	0.711	79%	0.794	S	S	*	*			trans	-85.4	-179.5	-174.1	0	0	0	0	0	117
677	S	26.3	Very low	29.2	Very low	122 Å²	122	134 Å²	134	85%	0.853	79%	0.79	S	S	*	*			trans	-90.4	179.9	176	-44.9	0	0	0	0	111.6
678	P	45.9	Very low	29.3	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	78%	0.784	S	S	*	*			cis	-136.3	179.6	1	39.3	-20.6	0	0	0	116.1
679	S	27	Very low	29.4	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	78%	0.783	S	S	*	*			trans	134.4	116.3	136.4	-58.6	0	0	0	0	117.7
680	Q	29.2	Very low	29	Very low	182 Å²	182	130.1 Å²	130.1	85%	0.85	79%	0.785	S	S	*	*			trans	60.5	141.3	136.3	-60.9	-171	-5.2	0	0	124.4
681	S	27.2	Very low	29.2	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	79%	0.785	S	S	*	*			trans	99.8	95.6	142.8	-64.2	0	0	0	0	122.9
682	Q	27.2	Very low	29.6	Very low	174 Å²	174	129.5 Å²	129.5	81%	0.813	79%	0.786	S	S	*	*				64.8	123.8	127.9	-62.7	-170.9	1.1	0	0	124.2
683	M	28.6	Very low	30.1	Very low	173 Å²	173	125 Å²	125	85%	0.852	78%	0.783	S	S	*	*			trans	61.8	130.2	134.8	-69	-168.2	170	0	0	123.5
684	A	27.4	Very low	30	Very low	92 Å²	92	127 Å²	127	76%	0.76	79%	0.792	S	S	*	*			trans	66.2	152.9	149.4	0	0	0	0	0	117.4
685	T	28.8	Very low	30.2	Very low	129 Å²	129	129.5 Å²	129.5	79%	0.791	80%	0.8	S	S	*	*			cis	-152.6	157.2	0	-13.9	0	0	0	0	109.2
686	T	30.3	Very low	30.3	Very low	130 Å²	130	126.3 Å²	126.3	80%	0.798	80%	0.799	S	S	*	*			trans	-76.1	142.2	162.9	51.4	0	0	0	0	111.2
687	P	37.1	Very low	30.4	Very low	130 Å²	130	126.5 Å²	126.5	84%	0.844	80%	0.801	S	S	*	*				-139.7	-167	113.8	39.2	-26.9	0	0	0	114
688	S	26.7	Very low	30.5	Very low	97 Å²	97	127 Å²	127	68%	0.678	80%	0.799	S	S	*	*			trans	-112.8	160.4	-154.8	58.9	0	0	0	0	116.5
689	L	27.9	Very low	29.7	Very low	165 Å²	165	128.6 Å²	128.6	86%	0.864	80%	0.8	S	S	*	*			trans	57.8	110.5	146.3	-70.3	164.6	0	0	0	119.7
690	S	27.3	Very low	29.7	Very low	121 Å²	121	129.5 Å²	129.5	85%	0.846	80%	0.801	S	S	*	*			trans	-172.6	146	131	43.9	0	0	0	0	112.6
691	S	32.3	Very low	29.8	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	80%	0.803	S	S	*	*			trans	-101	144.5	169	-46.7	0	0	0	0	110.2
692	P	36.4	Very low	30.1	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	81%	0.807	S	S	*	*				-151.2	-164.5	124.1	36.5	-16.8	0	0	0	112.2
693	P	37.7	Very low	30.3	Very low	118 Å²	118	134.3 Å²	134.3	77%	0.766	81%	0.81	S	S	*	*				-125.5	179.6	-61.6	37.9	-24.1	0	0	0	112.7
694	S	27.1	Very low	30.4	Very low	117 Å²	117	131.8 Å²	131.8	82%	0.818	81%	0.807	S	S	*	*			trans	-79.7	142.5	173.5	-42.6	0	0	0	0	113.5
695	L	30.9	Very low	30.8	Very low	179 Å²	179	133.7 Å²	133.7	94%	0.937	81%	0.809	S	S	*	*			trans	-137.3	164.1	162.4	-86.2	174.2	0	0	0	110.7
696	A	29	Very low	31	Very low	103 Å²	103	133.6 Å²	133.6	85%	0.851	81%	0.811	S	S	*	*			trans	-136.1	155.3	-163.1	0	0	0	0	0	115.3
697	G	27.5	Very low	31.2	Very low	72 Å²	72	137 Å²	137	74%	0.742	82%	0.815	S	S	*	*			trans	93	143.1	176	0	0	0	0	0	113.5
698	T	30	Very low	31.2	Very low	134 Å²	134	136.3 Å²	136.3	82%	0.822	81%	0.81	S	S	*	*			cis	-158.4	156.1	28.8	40.7	0	0	0	0	114.9
699	L	27.3	Very low	31.6	Very low	148 Å²	148	137.8 Å²	137.8	78%	0.775	82%	0.817	S	S	*	*			trans	43.6	96.9	144.4	-68.4	162	0	0	0	123.1
700	T	27.9	Very low	31.9	Very low	121 Å²	121	142 Å²	142	74%	0.742	82%	0.821	S	S	*	*				40.2	121.1	121.4	60.9	0	0	0	0	122.6
701	K	31.2	Very low	32.2	Very low	202 Å²	202	145.5 Å²	145.5	88%	0.878	83%	0.825	S	S	*	*				-170.6	167.1	103	-103.5	-170.2	175.7	179.3	0	112.6
702	P	33.1	Very low	32.3	Very low	120 Å²	120	150.5 Å²	150.5	78%	0.779	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-103.1	169.5	-154.3	39.8	-38.8	0	0	0	117.6
703	R	30.9	Very low	32.3	Very low	234 Å²	234	150.5 Å²	150.5	88%	0.883	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.1	145.7	177.9	-175.6	-176.2	-175.4	173.4	3.5	112.9
704	P	31.8	Very low	32.2	Very low	120 Å²	120	152.2 Å²	152.2	78%	0.779	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73.2	157.7	172.3	-15.1	30.2	0	0	0	114
705	T	34.7	Very low	33	Very low	133 Å²	133	154.6 Å²	154.6	82%	0.816	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-96.7	151.1	175.2	44.7	0	0	0	0	113
706	P	33.3	Very low	33.6	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-79.5	157.9	177.3	33.1	-35.4	0	0	0	112.9
707	K	35.4	Very low	34.3	Very low	202 Å²	202	152.2 Å²	152.2	88%	0.878	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-102.8	151	175.1	-71.5	-179	179.2	176.3	0	111.8
708	P	37.7	Very low	35.2	Very low	116 Å²	116	154.9 Å²	154.9	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.6	162.8	179.1	32.9	-36.3	0	0	0	113.5
709	P	35	Very low	35.7	Very low	127 Å²	127	157.2 Å²	157.2	83%	0.825	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76.4	163.1	-176	31.9	-36.8	0	0	0	114.2
710	R	33.7	Very low	36.4	Very low	253 Å²	253	156 Å²	156	96%	0.955	82%	0.823	S	S	*	*			trans	-117.5	157.4	173.4	-95.7	-177.5	166	175.7	-5.4	112
711	Q	32.9	Very low	37	Very low	195 Å²	195	156.5 Å²	156.5	91%	0.911	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-82.5	160.9	-172	-67.6	165.7	-39.2	0	0	113.8
712	R	35.6	Very low	37.2	Very low	226 Å²	226	152.5 Å²	152.5	85%	0.853	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.8	135.2	173.6	170.1	-173.1	-76.2	-156.9	-2.2	110.9
713	P	36.4	Very low	37.5	Very low	114 Å²	114	153.2 Å²	153.2	74%	0.74	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.1	151.2	165.4	-11.7	28.7	0	0	0	113.1
714	N	34.3	Very low	37.9	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-91.2	155.2	167.5	-79.1	-17.2	0	0	0	111.3
715	L	44.3	Very low	37.9	Very low	168 Å²	168	146 Å²	146	88%	0.88	83%	0.827	S	S	*	*			trans	-132.2	151.4	171.5	-75.3	172.4	0	0	0	110.8
716	P	44.4	Very low	37.9	Very low	110 Å²	110	146.7 Å²	146.7	71%	0.714	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-81.4	162.7	-178	34	-36.3	0	0	0	113.4
717	P	43.9	Very low	38	Very low	121 Å²	121	146 Å²	146	79%	0.786	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.8	145.5	-179	32.3	-35.5	0	0	0	113.4
718	P	44.7	Very low	38.6	Very low	128 Å²	128	142 Å²	142	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-84.2	157.9	176.1	34.1	-35.2	0	0	0	113.7
719	Q	40.3	Very low	38.3	Very low	184 Å²	184	145 Å²	145	86%	0.86	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-90.6	158.9	171.2	-80.6	-176	-20.9	0	0	112.3
720	P	41.9	Very low	39.2	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.4	140.1	-173.8	31.9	-35.3	0	0	0	114.1
721	P	41.6	Very low	39.1	Very low	132 Å²	132	138.7 Å²	138.7	86%	0.857	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.3	162.2	166.8	-14.2	30.5	0	0	0	113.5
722	S	35	Very low	38.9	Very low	118 Å²	118	136 Å²	136	83%	0.825	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-99.5	155.9	-175	45.9	0	0	0	0	114.8
723	T	40.3	Very low	38.8	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.2	151.6	172.9	53.9	0	0	0	0	112.8
724	P	39.6	Very low	38.6	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	79%	0.79	S	S	*	*				-145	140.4	126.2	35.8	-21.1	0	0	0	116.5
725	G	32	Very low	38.6	Very low	81 Å²	81	130.2 Å²	130.2	84%	0.835	79%	0.789	S	S	*	*				76.9	120.7	109.7	0	0	0	0	0	120.7
726	T	33	Very low	37.9	Very low	147 Å²	147	126 Å²	126	90%	0.902	79%	0.785	S	S	*	*			trans	-82.4	163.6	168.8	38	0	0	0	0	114.8
727	S	35.9	Very low	37.4	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	79%	0.791	S	S	*	*			trans	-53.3	165.7	171.9	-124.8	0	0	0	0	115.2
728	P	47.2	Very low	37.1	Very low	119 Å²	119	129 Å²	129	77%	0.773	79%	0.787	S	S	*	*				-148.6	171.4	57.8	40.8	-19.9	0	0	0	120.4
729	Q	31.6	Very low	36.5	Very low	179 Å²	179	130.4 Å²	130.4	84%	0.836	79%	0.788	S	S	*	*			trans	-12	172.2	154.2	-76.8	-167.5	-5.3	0	0	122.7
730	P	54.9	Low	36.1	Very low	98 Å²	98	125.3 Å²	125.3	64%	0.636	78%	0.784	S	S	*	*			cis	-138.9	-150.6	-32.2	38	-16.4	0	0	0	112.8
731	L	30.8	Very low	35.9	Very low	149 Å²	149	127.5 Å²	127.5	78%	0.78	79%	0.789	S	S	*	*			trans	77	155.9	173.2	-59.4	166.3	0	0	0	116.7
732	E	30.1	Very low	37	Very low	139 Å²	139	126.9 Å²	126.9	65%	0.65	79%	0.785	S	S	*	*			cis	-170.1	156.2	-30.8	-167.1	173.8	-139.2	0	0	108.6
733	H	32.8	Very low	37.8	Very low	165 Å²	165	127.2 Å²	127.2	76%	0.764	78%	0.784	S	S	*	*			trans	62.1	160.3	171.3	-67.6	-58	0	0	0	117.8
734	S	32.2	Very low	37.5	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	78%	0.776	S	S	*	*			cis	-164.7	172.8	-28	64.3	0	0	0	0	111.4
735	S	33.2	Very low	37.4	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	78%	0.779	S	S	*	*			trans	75.7	103.8	146.3	-52.8	0	0	0	0	122.6
736	G	31.5	Very low	37.7	Very low	78 Å²	78	127.1 Å²	127.1	80%	0.804	77%	0.768	S	S	*	*			trans	81.8	169	134.5	0	0	0	0	0	119.9
737	L	33.7	Very low	37.9	Very low	158 Å²	158	128.7 Å²	128.7	83%	0.827	77%	0.768	S	S	*	*			cis	-163.2	130.6	-19.1	-167.1	76.5	0	0	0	111.3
738	L	36.2	Very low	38.2	Very low	136 Å²	136	127.6 Å²	127.6	71%	0.712	76%	0.76	S	S	*	*			trans	45.7	141.1	153.8	-69.4	171	0	0	0	125.2
739	D	33	Very low	38.1	Very low	159 Å²	159	127.7 Å²	127.7	85%	0.85	76%	0.759	S	S	*	*			trans	74.2	142.4	141.4	-74.2	-42.5	0	0	0	124.4
740	G	31.9	Very low	38.9	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	76%	0.757	S	S	*	*			trans	153	89.1	169.4	0	0	0	0	0	116.3
741	L	37.6	Very low	38.4	Very low	168 Å²	168	129.7 Å²	129.7	88%	0.88	79%	0.791	S	S	*	*			trans	-123.1	164.5	170.8	-73.8	172.1	0	0	0	110.5
742	P	63.8	Low	38.8	Very low	119 Å²	119	128.8 Å²	128.8	77%	0.773	79%	0.792	S	S	*	*				-103.6	-91.9	-83.8	27.9	-7.3	0	0	0	111.4
743	P	53.3	Low	39.2	Very low	124 Å²	124	128.2 Å²	128.2	81%	0.805	80%	0.799	S	S	*	*			cis	-116.1	-172.8	-26.2	42.5	-27.8	0	0	0	114
744	G	33.7	Very low	39.6	Very low	64 Å²	64	126.2 Å²	126.2	66%	0.66	80%	0.801	S	S	*	*			trans	124	114.5	170	0	0	0	0	0	112.8
745	E	37.8	Very low	40	Very low	186 Å²	186	128.1 Å²	128.1	87%	0.869	81%	0.81	S	S	*	*				70.1	134.9	66.3	-69.4	-157.9	-157	0	0	114.4
746	S	38.1	Very low	40.5	Very low	87 Å²	87	129 Å²	129	61%	0.608	81%	0.811	S	S	*	*			cis	-168.7	149.2	-1.5	-103.4	0	0	0	0	112
747	M	37.8	Very low	41.1	Very low	180 Å²	180	132.4 Å²	132.4	89%	0.887	81%	0.811	S	S	*	*			trans	63.9	161.5	156.5	-56.4	-87.3	-150.7	0	0	117.6
748	S	40.5	Very low	41.6	Very low	89 Å²	89	130.6 Å²	130.6	62%	0.622	81%	0.81	S	S	*	*			cis	-155.9	166.4	-3	-143	0	0	0	0	112.7
749	T	46.8	Very low	42	Very low	121 Å²	121	130.2 Å²	130.2	74%	0.742	82%	0.817	S	S	*	*			trans	22.4	116.6	152.5	54.3	0	0	0	0	120.1
750	A	46.8	Very low	42.8	Very low	97 Å²	97	127.8 Å²	127.8	80%	0.802	82%	0.815	S	S	*	*				87.1	119.7	59.3	0	0	0	0	0	115.8
751	V	45.2	Very low	43.8	Very low	222 Å²	222	132.5 Å²	132.5	100%	1.345	82%	0.818	S	S	*	*				-158.4	0	124.9	150.1	0	0	0	0	106.9

Retrieved 751 of 751 residues in 874.4 ms (Link to these results)

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