A0A096MW03_PAPAN Loading...

Unconventional myosin-Ia

Involved in directing the movement of organelles along actin filaments.

AlphaFold DB , UniProt , Accession A0A096MW03, Species PAPAN (Papio anubis, Olive baboon), Gene MYO1A, Length 1,043 aa.

						>A0A096MW03_PAPAN|A0A096MW03|MYO1A
MPLLDGSVGVEDLVLLEPLVEESLLKNLQLRYESKEIYTYIGNVVISVNPYQQLPIYGPEFIAKYRDYTFYELKPHIYALANVAYQSLRDRDRDQCILITGESGSGKTEASKLVMSYVAAICGKGEQVNSVKEQLLQSNPVLEAFGNAKTIRNNNSSRFGKYMDIEFDFKGSPLGGVITNYLLEKSRVVKQLKGERNFHIFYQLLAGADAQLLKALKLERDTTGYAYLNQEVSRVDGLDDASSFRAVQSAMAVIGFSEEEIQQVLEVTSMVLKLGNVLVADEFQANGTPASGIRDGRGVREIGETVGLNSEELERALCSRTMETAKEKVVTALNVMQAQYARDALAKNVYSRLFDWIVNRINESIKVGIGEKKKVMGVLDIYGFEILEDNSFEQFVINYCNEKLQQVFIEMTLKEEQEEYEREGIPWTKVDYFDNGIICNLIEHNQRGILAMLDEECLRPGVVSDSTFLAKLNQLFSKHGHYESKVTQNAQRQYDHTMGLSCFRICHYAGKVTYNVTNFIDKNNDLLFRDLSQAMWKAQHPLLRSLFPEGNPKQASLKRPPTAGAQFKSSVAILMKNLYSKNPNYIRCIKPNEHQQRGQFSSDLVATQARYLGLLENVRVRRAGYAHRQGYGPFLERYRLLSRSTWPHWNGGDREGVEKVLGELSMSSGELAFGKTKIFIRSPKTLFYLEEQRRLRLQQLATLIQKIYRGWRCRTHYQLMRKSQILISAWFRGNVQKKHYGKIKASVLLIQAFVRGWKARKNYRKYFRSEAALTLADFIYKSMVQKFLLGLKNNLPSTNILDKTWPAAPYKCLSTANQELQQLFYQWKCKRFRDQLSPKQVEILREKLCASELFKGKKASYPQSVPIPFCGDYIGLQGNPKLQKLKGGEEGPVLMAEAVKKVNRGNGKTSSRILLLTKGHVILTDTKKSQAKIVIGLDNVAGVSVTSFKDGLFSLHLSEMSSVGSKGDFLLVSEHVIELLTKIYRAVLDATQRQLAVTVTEKFSMRFKENSVAVKVIQGPVGGDNSKLHCKKKGSRCLEVTVQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	58	Low	159 Å²	159	61.9 Å²	61.9	78%	0.783	37%	0.371	S	S	*	.				0	16.2	0	-84.2	-142.2	173.5	0	0	117.3	L4	M1-L4 HydrophobicContact CB-CD1 4.37Å; M1-L4 HydrophobicContact CE-CD1 4.29Å; M1-L4 HydrophobicContact CG-CD1 3.88Å; M1-L4 HydrophobicContact SD-CD1 4.18Å
2	P	33.2	Very low	60.4	Low	33 Å²	33	56.8 Å²	56.8	21%	0.214	34%	0.341	C	S	.	.			trans	-108.3	-2	165.2	-10.1	29.8	0	0	0	118.4	L4 D5 E691 R694	P2-L4 PolarHBondContact O-N 3.06Å; P2-D5 HydrophobicContact CB-CB 4.22Å; P2-D5 PolarHBondContact O-N 3.42Å; P2-E691 VanDerWaalsContact CB-CD 3.45Å; P2-E691 HydrophobicContact CB-CG 4.41Å; P2-E691 WeakPolarHBondContact CB-OE1 3.43Å; P2-E691 WeakPolarHBondContact CB-OE2 3.38Å; P2-E691 WeakPolarHBondContact CD-OE1 3.34Å; P2-E691 WeakPolarHBondContact CD-OE2 3.15Å; P2-E691 HydrophobicContact CG-CG 3.78Å; P2-E691 WeakPolarHBondContact CG-OE1 3.38Å; P2-R694 VanDerWaalsContact CB-NH2 3.34Å
3	L	36.7	Very low	62.6	Low	58 Å²	58	52.5 Å²	52.5	30%	0.304	32%	0.315	S	S	.	.	S	Bend	trans	-66.7	-9.4	151	-116.8	136.1	0	0	0	111.2	S7 F687 E690 E691	L3-S7 WeakPolarHBondContact O-CB 3.25Å; L3-S7 PolarHBondContact O-OG 3Å; L3-F687 HydrophobicContact CB-CD1 4.41Å; L3-F687 HydrophobicContact CD1-CD1 4.31Å; L3-F687 HydrophobicContact CD2-CD1 4.14Å; L3-F687 HydrophobicContact CD2-CE1 4.24Å; L3-E690 HydrophobicContact CD1-CB 3.62Å; L3-E691 PolarHBondContact N-OE2 2.71Å
4	L	44.2	Very low	64.1	Low	93 Å²	93	49.3 Å²	49.3	49%	0.487	30%	0.296	S	S	.	.	S	Bend	trans	-93.3	-15.9	169.2	-68.5	161.7	0	0	0	113.5	M1 P2 G6 S7	M1-L4 HydrophobicContact CB-CD1 4.37Å; M1-L4 HydrophobicContact CE-CD1 4.29Å; M1-L4 HydrophobicContact CG-CD1 3.88Å; M1-L4 HydrophobicContact SD-CD1 4.18Å; P2-L4 PolarHBondContact O-N 3.06Å; L4-G6 PolarHBondContact O-N 3.1Å; L4-S7 VanDerWaalsContact CA-OG 3.32Å; L4-S7 WeakPolarHBondContact CA-OG 3.31Å
5	D	38.4	Very low	65.1	Low	143 Å²	143	49.1 Å²	49.1	77%	0.765	29%	0.292	S	S	*	.	S	Bend	trans	-84	74	175.8	-89.6	-24.5	0	0	0	109.2	P2	P2-D5 HydrophobicContact CB-CB 4.22Å; P2-D5 PolarHBondContact O-N 3.42Å
6	G	51.2	Low	66.2	Low	64 Å²	64	46.6 Å²	46.6	66%	0.66	28%	0.277	S	S	*	.	S	Bend	trans	130.9	-5.7	177.8	0	0	0	0	0	114.8	L4	L4-G6 PolarHBondContact O-N 3.1Å
7	S	61	Low	66.9	Low	23 Å²	23	52.4 Å²	52.4	16%	0.161	30%	0.301	C	S	.	.			trans	-86.9	134.8	168.3	56.6	0	0	0	0	110	L3 L4 E11	L3-S7 WeakPolarHBondContact O-CB 3.25Å; L3-S7 PolarHBondContact O-OG 3Å; L4-S7 VanDerWaalsContact CA-OG 3.32Å; L4-S7 WeakPolarHBondContact CA-OG 3.31Å; S7-E11 VanDerWaalsContact CB-OE1 3.32Å; S7-E11 WeakPolarHBondContact CB-OE1 3.32Å
8	V	79.1	Confident	67.8	Low	34 Å²	34	53.5 Å²	53.5	21%	0.206	31%	0.31	C	S	.	.			trans	-85.1	115.3	178.4	176	0	0	0	0	106.9	L30 R31 S34	V8-L30 HydrophobicContact CG1-CD1 4.46Å; V8-L30 HydrophobicContact CG1-CD2 4.39Å; V8-L30 HydrophobicContact CG1-CG 3.76Å; V8-L30 WeakPolarHBondContact CG1-O 3.47Å; V8-R31 HydrophobicContact CG1-CG 4.32Å; V8-R31 WeakPolarHBondContact O-CG 3.32Å; V8-R31 PolarHBondContact O-NH1 2.82Å; V8-S34 WeakPolarHBondContact CG1-OG 3.47Å; V8-S34 VanDerWaalsContact CG2-CB 3.43Å; V8-S34 WeakPolarHBondContact CG2-OG 3.3Å
9	G	84.8	Confident	68.7	Low	20 Å²	20	52.3 Å²	52.3	21%	0.206	30%	0.302	C	S	.	.	S	Bend	trans	59.2	-156.9	-178	0	0	0	0	0	113.7	N27	G9-N27 WeakPolarHBondContact CA-OD1 3.42Å
10	V	85.3	Confident	69.7	Low	34 Å²	34	53 Å²	53	21%	0.206	31%	0.307	C	S	.	.			trans	-95	119.6	-178.8	179.8	0	0	0	0	109.9	D12 L15 L16 N27 R31	V10-D12 WeakPolarHBondContact CG1-O 3.28Å; V10-L15 HydrophobicContact CG1-CB 3.68Å; V10-L15 HydrophobicContact CG1-CD1 4.34Å; V10-L16 HydrophobicContact CG2-CD1 4.32Å; V10-N27 PolarHBondContact N-OD1 2.8Å; V10-N27 PolarHBondContact O-ND2 3.2Å; V10-R31 WeakPolarHBondContact O-CD 3.49Å
11	E	87.1	Confident	70.6	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.093	31%	0.307	C	S	.	.	S	Bend	trans	-75	-31.4	-178.2	-71.8	-176.4	176.3	0	0	114.2	S7 T39 Y40 P75	S7-E11 VanDerWaalsContact CB-OE1 3.32Å; S7-E11 WeakPolarHBondContact CB-OE1 3.32Å; E11-T39 WeakPolarHBondContact O-CG2 3.28Å; E11-Y40 PolarHBondContact O-N 3.2Å; E11-P75 HydrophobicContact CB-CG 3.69Å; E11-P75 HydrophobicContact CG-CG 4.09Å; E11-P75 WeakPolarHBondContact O-CG 3.39Å
12	D	86.9	Confident	73.2	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-123.6	116.7	172.5	-175.4	-12	0	0	0	109.9	V10 V14 L15 Y40 I41 G42 Y71	V10-D12 WeakPolarHBondContact CG1-O 3.28Å; D12-V14 PolarHBondContact O-N 2.84Å; D12-V14 WeakPolarHBondContact OD1-CB 3.49Å; D12-V14 VanDerWaalsContact OD1-CG2 3.3Å; D12-V14 WeakPolarHBondContact OD1-CG2 3.38Å; D12-V14 PolarHBondContact OD1-N 3Å; D12-L15 VanDerWaalsContact O-CB 3.29Å; D12-L15 WeakPolarHBondContact O-CB 3.44Å; D12-L15 PolarHBondContact O-N 2.94Å; D12-Y40 CarbonylContact C-O 3.52Å; D12-Y40 WeakPolarHBondContact CA-O 3.45Å; D12-I41 WeakPolarHBondContact OD1-CA 3.45Å; D12-G42 PolarHBondContact OD1-N 3.38Å; D12-G42 VanDerWaalsContact OD1-N 3.14Å; D12-G42 PolarHBondContact OD2-N 3.4Å; D12-Y71 HydrophobicContact CB-CE1 4.22Å; D12-Y71 WeakPolarHBondContact OD2-CE1 3.45Å; D12-Y71 PolarHBondContact OD2-OH 3.21Å
13	L	88.8	Confident	76	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63	-15.3	-176.8	-59.7	-178.3	0	0	0	113.5	L15 L16 L24 N27 T39 Y40 I41 I46 V618 R622	L13-L15 PolarHBondContact O-N 2.89Å; L13-L16 HydrophobicContact CD2-CD2 4.41Å; L13-L16 WeakPolarHBondContact O-CB 3.35Å; L13-L16 PolarHBondContact O-N 2.94Å; L13-L24 HydrophobicContact CD1-CD1 3.73Å; L13-L24 HydrophobicContact CD1-CG 4.11Å; L13-N27 WeakPolarHBondContact CD2-ND2 3.27Å; L13-T39 HydrophobicContact CD2-CG2 3.95Å; L13-T39 HydrophobicContact CG-CG2 3.9Å; L13-Y40 PolarHBondContact N-O 3.16Å; L13-I41 HydrophobicContact CB-CG1 4.05Å; L13-I41 HydrophobicContact CD1-CD1 4.2Å; L13-I41 HydrophobicContact CD1-CG1 3.87Å; L13-I41 HydrophobicContact CG-CG1 4.26Å; L13-I46 HydrophobicContact CD1-CD1 3.39Å; L13-I46 HydrophobicContact CG-CD1 4.38Å; L13-V618 HydrophobicContact CB-CG2 3.79Å; L13-V618 WeakPolarHBondContact O-CG1 3.39Å; L13-R622 PolarHBondContact O-NH2 3.08Å
14	V	84	Confident	78.6	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.048	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57	-21.3	168.5	-179.1	0	0	0	0	111.5	D12 I41 R621 R622 A626 P683	D12-V14 PolarHBondContact O-N 2.84Å; D12-V14 WeakPolarHBondContact OD1-CB 3.49Å; D12-V14 VanDerWaalsContact OD1-CG2 3.3Å; D12-V14 WeakPolarHBondContact OD1-CG2 3.38Å; D12-V14 PolarHBondContact OD1-N 3Å; V14-I41 HydrophobicContact CG2-CG2 4.21Å; V14-R621 HydrophobicContact CG2-CB 4.04Å; V14-R622 HydrophobicContact CG1-CG 3.77Å; V14-R622 PolarHBondContact O-NE 3.44Å; V14-R622 PolarHBondContact O-NH2 3.43Å; V14-A626 HydrophobicContact CG1-CB 4.06Å; V14-P683 HydrophobicContact CB-CG 3.78Å; V14-P683 HydrophobicContact CG1-CG 3.47Å; V14-P683 VanDerWaalsContact CG1-CG 3.47Å
15	L	79.8	Confident	81	Confident	46 Å²	46	46.7 Å²	46.7	24%	0.241	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-90.8	-11.7	174.2	-65.3	179.4	0	0	0	116.7	V10 D12 L13 E17 R622 P683 K684 F687	V10-L15 HydrophobicContact CG1-CB 3.68Å; V10-L15 HydrophobicContact CG1-CD1 4.34Å; D12-L15 VanDerWaalsContact O-CB 3.29Å; D12-L15 WeakPolarHBondContact O-CB 3.44Å; D12-L15 PolarHBondContact O-N 2.94Å; L13-L15 PolarHBondContact O-N 2.89Å; L15-E17 PolarHBondContact O-N 3Å; L15-R622 VanDerWaalsContact C-NH2 3.27Å; L15-P683 HydrophobicContact CD1-CB 4.42Å; L15-P683 HydrophobicContact CD2-CB 3.46Å; L15-P683 VanDerWaalsContact CD2-CB 3.46Å; L15-P683 HydrophobicContact CD2-CG 3.52Å; L15-P683 HydrophobicContact CG-CB 3.82Å; L15-P683 HydrophobicContact CG-CG 3.85Å; L15-K684 HydrophobicContact CD2-CB 4Å; L15-F687 HydrophobicContact CD1-CD2 3.45Å; L15-F687 VanDerWaalsContact CD1-CD2 3.45Å; L15-F687 HydrophobicContact CD1-CE2 3.22Å; L15-F687 HydrophobicContact CD1-CZ 4.23Å; L15-F687 HydrophobicContact CD2-CD2 4.47Å; L15-F687 HydrophobicContact CG-CD2 4.41Å; L15-F687 HydrophobicContact CG-CE2 4.15Å
16	L	82.8	Confident	83.7	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.047	26%	0.264	C	S	.	.			trans	-63.5	109.2	-170.9	-176.9	75.7	0	0	0	114	V10 L13 P18 L19 L24 N27 R622	V10-L16 HydrophobicContact CG2-CD1 4.32Å; L13-L16 HydrophobicContact CD2-CD2 4.41Å; L13-L16 WeakPolarHBondContact O-CB 3.35Å; L13-L16 PolarHBondContact O-N 2.94Å; L16-P18 CarbonylContact O-C 3.48Å; L16-L19 HydrophobicContact CD2-CD1 4.34Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-L24 HydrophobicContact CD2-CB 3.79Å; L16-N27 HydrophobicContact CD1-CB 3.94Å; L16-R622 PolarHBondContact O-NH2 3.49Å
17	E	76.7	Confident	85.7	Confident	146 Å²	146	44.5 Å²	44.5	68%	0.682	24%	0.235	S	C	*	.	S	Bend	trans	-119.8	128.4	-179.3	-157.4	61.8	-151	0	0	111.5	L15 R622	L15-E17 PolarHBondContact O-N 3Å; E17-R622 IonicContact OE2-CZ 2.75Å; E17-R622 IonicContact OE2-NH1 3.47Å; E17-R622 PolarHBondContact OE2-NH1 3.22Å; E17-R622 IonicContact OE2-NH2 2.74Å
18	P	84.1	Confident	87.3	Confident	72 Å²	72	43.5 Å²	43.5	47%	0.468	23%	0.228	S	C	.	.	S	Bend	cis	-75.3	150	-4.4	30.6	-33.4	0	0	0	112.8	L16 V20 S23	L16-P18 CarbonylContact O-C 3.48Å; P18-V20 VanDerWaalsContact C-N 3.3Å; P18-V20 HydrophobicContact CG-CG2 4.18Å; P18-V20 PolarHBondContact O-N 3.03Å; P18-S23 WeakPolarHBondContact O-CB 3.34Å; P18-S23 PolarHBondContact O-OG 2.85Å
19	L	84	Confident	88.1	Confident	31 Å²	31	44.6 Å²	44.6	16%	0.162	23%	0.231	C	C	.	.			trans	-78.6	76.5	177.2	-175.1	62	0	0	0	111.8	L16 V618 R619	L16-L19 HydrophobicContact CD2-CD1 4.34Å; L16-L19 PolarHBondContact O-N 3.47Å; L19-V618 HydrophobicContact CD1-CB 3.99Å; L19-V618 HydrophobicContact CD1-CG1 3.51Å; L19-V618 HydrophobicContact CD2-CB 4.31Å; L19-V618 HydrophobicContact CD2-CG1 3.79Å; L19-V618 HydrophobicContact CG-CG1 4.32Å; L19-R619 HydrophobicContact CD2-CG 3.71Å
20	V	88.8	Confident	88.5	Confident	65 Å²	65	47.5 Å²	47.5	39%	0.394	24%	0.241	S	C	.	.	S	Bend	trans	-127.2	159.7	174.1	-62.6	0	0	0	0	110.1	P18 E22 S23 L24	P18-V20 VanDerWaalsContact C-N 3.3Å; P18-V20 HydrophobicContact CG-CG2 4.18Å; P18-V20 PolarHBondContact O-N 3.03Å; V20-E22 VanDerWaalsContact C-N 3.28Å; V20-E22 HydrophobicContact CG2-CB 4.37Å; V20-E22 PolarHBondContact O-N 3.03Å; V20-S23 WeakPolarHBondContact CG2-OG 3.29Å; V20-S23 PolarHBondContact O-N 2.56Å; V20-L24 PolarHBondContact O-N 2.84Å
21	E	89.9	Confident	89	Confident	66 Å²	66	45.9 Å²	45.9	31%	0.308	23%	0.231	S	C	.	.	H	α-helix	trans	-56.6	-42.5	-178.2	-170.2	175.2	-164.8	0	0	111.4	S23 L24 L25 R610	E21-S23 PolarHBondContact O-N 3.13Å; E21-L24 WeakPolarHBondContact O-CB 3.32Å; E21-L24 PolarHBondContact O-N 2.6Å; E21-L24 VanDerWaalsContact O-N 3.15Å; E21-L25 HydrophobicContact CG-CD1 4.04Å; E21-L25 HydrophobicContact CG-CG 4.46Å; E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.5Å; E21-L25 PolarHBondContact O-N 2.84Å; E21-R610 IonicContact OE1-NE 2.98Å; E21-R610 PolarHBondContact OE1-NE 3.28Å
22	E	91.6	Very high	89.3	Confident	153 Å²	153	45.5 Å²	45.5	72%	0.715	23%	0.229	S	C	*	.	H	α-helix	trans	-57.9	-47.3	178.6	-169.6	-174.9	169.6	0	0	112.9	V20 L24 L25 K26	V20-E22 VanDerWaalsContact C-N 3.28Å; V20-E22 HydrophobicContact CG2-CB 4.37Å; V20-E22 PolarHBondContact O-N 3.03Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 2.87Å; E22-L25 PolarHBondContact O-N 2.99Å; E22-K26 WeakPolarHBondContact O-CB 3.36Å; E22-K26 PolarHBondContact O-N 2.78Å
23	S	90.1	Very high	89.6	Confident	25 Å²	25	50.9 Å²	50.9	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-39.5	177	-61.1	0	0	0	0	111.8	P18 V20 E21 N27	P18-S23 WeakPolarHBondContact O-CB 3.34Å; P18-S23 PolarHBondContact O-OG 2.85Å; V20-S23 WeakPolarHBondContact CG2-OG 3.29Å; V20-S23 PolarHBondContact O-N 2.56Å; E21-S23 PolarHBondContact O-N 3.13Å; S23-N27 WeakPolarHBondContact O-CB 3.47Å; S23-N27 PolarHBondContact O-N 2.59Å
24	L	93.1	Very high	89.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-45.9	180	177.5	149.5	0	0	0	110.2	L13 L16 V20 E21 E22 N27 L28 A609 L614 L615	L13-L24 HydrophobicContact CD1-CD1 3.73Å; L13-L24 HydrophobicContact CD1-CG 4.11Å; L16-L24 HydrophobicContact CD2-CB 3.79Å; V20-L24 PolarHBondContact O-N 2.84Å; E21-L24 WeakPolarHBondContact O-CB 3.32Å; E21-L24 PolarHBondContact O-N 2.6Å; E21-L24 VanDerWaalsContact O-N 3.15Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 2.87Å; L24-N27 PolarHBondContact O-N 3.06Å; L24-L28 HydrophobicContact CD2-CD1 3.63Å; L24-L28 HydrophobicContact CD2-CG 4.31Å; L24-L28 HydrophobicContact CG-CD1 4.43Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 2.83Å; L24-A609 HydrophobicContact CD2-CB 4.05Å; L24-L614 HydrophobicContact CD1-CB 4.08Å; L24-L615 HydrophobicContact CB-CD1 4.18Å; L24-L615 HydrophobicContact CD1-CD1 3.65Å; L24-L615 HydrophobicContact CG-CD1 4.46Å
25	L	94.3	Very high	90.2	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-46.6	-179.9	-64.8	170.7	0	0	0	111.6	E21 E22 N27 L28 Q29 V605 A606	E21-L25 HydrophobicContact CG-CD1 4.04Å; E21-L25 HydrophobicContact CG-CG 4.46Å; E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.5Å; E21-L25 PolarHBondContact O-N 2.84Å; E22-L25 PolarHBondContact O-N 2.99Å; L25-N27 PolarHBondContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 2.92Å; L25-Q29 WeakPolarHBondContact O-CB 3.34Å; L25-Q29 PolarHBondContact O-N 2.93Å; L25-V605 HydrophobicContact CD2-CB 4.1Å; L25-V605 HydrophobicContact CD2-CG1 3.72Å; L25-A606 HydrophobicContact CD1-CB 3.55Å; L25-A606 HydrophobicContact CD2-CB 4.12Å; L25-A606 HydrophobicContact CG-CB 4.45Å
26	K	93.5	Very high	90.9	Very high	152 Å²	152	59.6 Å²	59.6	66%	0.661	30%	0.297	S	S	*	.	H	α-helix	trans	-57.9	-39.2	176.1	-172	174.7	-176.2	174.4	0	111.5	E22 L30	E22-K26 WeakPolarHBondContact O-CB 3.36Å; E22-K26 PolarHBondContact O-N 2.78Å; K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.43Å; K26-L30 PolarHBondContact O-N 2.91Å
27	N	93.8	Very high	91.5	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.053	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-49.1	177.1	-172.7	57.5	0	0	0	112.6	G9 V10 L13 L16 S23 L24 L25 Q29 L30 R31	G9-N27 WeakPolarHBondContact CA-OD1 3.42Å; V10-N27 PolarHBondContact N-OD1 2.8Å; V10-N27 PolarHBondContact O-ND2 3.2Å; L13-N27 WeakPolarHBondContact CD2-ND2 3.27Å; L16-N27 HydrophobicContact CD1-CB 3.94Å; S23-N27 WeakPolarHBondContact O-CB 3.47Å; S23-N27 PolarHBondContact O-N 2.59Å; L24-N27 PolarHBondContact O-N 3.06Å; L25-N27 PolarHBondContact O-N 3.08Å; N27-Q29 VanDerWaalsContact C-N 3.29Å; N27-Q29 PolarHBondContact O-N 3.17Å; N27-L30 PolarHBondContact O-N 3.43Å; N27-R31 WeakPolarHBondContact O-CB 3.35Å; N27-R31 VanDerWaalsContact O-CG 3.3Å; N27-R31 WeakPolarHBondContact O-CG 3.29Å; N27-R31 PolarHBondContact O-N 3.12Å; N27-R31 VanDerWaalsContact O-N 3.07Å
28	L	95.4	Very high	92.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-39.8	178.3	-69.5	-179.9	0	0	0	111.6	L24 L25 Y32 T39 I46 I589 F600 V605	L24-L28 HydrophobicContact CD2-CD1 3.63Å; L24-L28 HydrophobicContact CD2-CG 4.31Å; L24-L28 HydrophobicContact CG-CD1 4.43Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 2.83Å; L25-L28 PolarHBondContact O-N 2.92Å; L28-Y32 VanDerWaalsContact O-CB 3.22Å; L28-Y32 WeakPolarHBondContact O-CB 3.34Å; L28-Y32 PolarHBondContact O-N 2.98Å; L28-T39 HydrophobicContact CD2-CG2 4.44Å; L28-I46 HydrophobicContact CD2-CG2 4.29Å; L28-I589 HydrophobicContact CD1-CD1 4.04Å; L28-F600 HydrophobicContact CB-CE2 4.46Å; L28-F600 HydrophobicContact CB-CZ 4.17Å; L28-V605 HydrophobicContact CD1-CG1 4.21Å
29	Q	94.9	Very high	92.9	Very high	57 Å²	57	49.2 Å²	49.2	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-53.5	176.3	-176.4	177	-3.6	0	0	111.4	L25 N27 R31 Y32 E33 F600	L25-Q29 WeakPolarHBondContact O-CB 3.34Å; L25-Q29 PolarHBondContact O-N 2.93Å; N27-Q29 VanDerWaalsContact C-N 3.29Å; N27-Q29 PolarHBondContact O-N 3.17Å; Q29-R31 VanDerWaalsContact C-N 3.27Å; Q29-R31 PolarHBondContact O-N 3.32Å; Q29-Y32 PolarHBondContact O-N 2.97Å; Q29-Y32 VanDerWaalsContact O-N 3.14Å; Q29-E33 HydrophobicContact CG-CG 4.42Å; Q29-E33 VanDerWaalsContact CG-OE1 3.31Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.48Å; Q29-E33 PolarHBondContact NE2-OE1 2.74Å; Q29-E33 WeakPolarHBondContact O-CG 3.31Å; Q29-E33 PolarHBondContact O-N 2.87Å; Q29-F600 HydrophobicContact CB-CD1 3.82Å; Q29-F600 HydrophobicContact CB-CE1 3.61Å; Q29-F600 HydrophobicContact CB-CE2 4.45Å; Q29-F600 HydrophobicContact CB-CG 4.33Å; Q29-F600 HydrophobicContact CB-CZ 3.94Å; Q29-F600 HydrophobicContact CG-CB 4.47Å; Q29-F600 HydrophobicContact CG-CD1 3.72Å; Q29-F600 HydrophobicContact CG-CE1 4.06Å; Q29-F600 HydrophobicContact CG-CG 4.09Å
30	L	94.1	Very high	93.3	Very high	80 Å²	80	48 Å²	48	42%	0.419	24%	0.235	S	C	.	.	H	α-helix	trans	-56.1	-43.4	-179.4	-179.3	67.4	0	0	0	111.7	V8 K26 N27 S34	V8-L30 HydrophobicContact CG1-CD1 4.46Å; V8-L30 HydrophobicContact CG1-CD2 4.39Å; V8-L30 HydrophobicContact CG1-CG 3.76Å; V8-L30 WeakPolarHBondContact CG1-O 3.47Å; K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.43Å; K26-L30 PolarHBondContact O-N 2.91Å; N27-L30 PolarHBondContact O-N 3.43Å; L30-S34 PolarHBondContact O-N 3.48Å; L30-S34 PolarHBondContact O-OG 3.34Å
31	R	94.4	Very high	93.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-46.7	176.8	-72.5	-177.7	66.1	71.6	1.9	112.2	V8 V10 N27 Q29 E33 S34 K35 E36 Y38 T39	V8-R31 HydrophobicContact CG1-CG 4.32Å; V8-R31 WeakPolarHBondContact O-CG 3.32Å; V8-R31 PolarHBondContact O-NH1 2.82Å; V10-R31 WeakPolarHBondContact O-CD 3.49Å; N27-R31 WeakPolarHBondContact O-CB 3.35Å; N27-R31 VanDerWaalsContact O-CG 3.3Å; N27-R31 WeakPolarHBondContact O-CG 3.29Å; N27-R31 PolarHBondContact O-N 3.12Å; N27-R31 VanDerWaalsContact O-N 3.07Å; Q29-R31 VanDerWaalsContact C-N 3.27Å; Q29-R31 PolarHBondContact O-N 3.32Å; R31-E33 PolarHBondContact O-N 3.01Å; R31-S34 CarbonylContact O-C 3.58Å; R31-S34 PolarHBondContact O-N 2.9Å; R31-S34 VanDerWaalsContact O-N 3.14Å; R31-K35 PolarHBondContact O-N 3.36Å; R31-E36 CarbonylContact C-O 3.5Å; R31-E36 HydrophobicContact CB-CB 4.25Å; R31-E36 WeakPolarHBondContact CB-O 3.4Å; R31-E36 WeakPolarHBondContact O-CB 3.45Å; R31-E36 PolarHBondContact O-N 2.82Å; R31-Y38 PolarHBondContact NH2-O 3.3Å; R31-T39 PolarHBondContact NE-OG1 3.06Å
32	Y	94.4	Very high	93	Very high	12 Å²	12	42 Å²	42	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-43.9	178.5	-178	-99.6	0	0	0	112.3	L28 Q29 S34 K35 I37 V48 P591 Q599 F600	L28-Y32 VanDerWaalsContact O-CB 3.22Å; L28-Y32 WeakPolarHBondContact O-CB 3.34Å; L28-Y32 PolarHBondContact O-N 2.98Å; Q29-Y32 PolarHBondContact O-N 2.97Å; Q29-Y32 VanDerWaalsContact O-N 3.14Å; Y32-S34 PolarHBondContact O-N 3.27Å; Y32-K35 WeakPolarHBondContact O-CA 3.5Å; Y32-K35 PolarHBondContact O-N 2.9Å; Y32-I37 HydrophobicContact CD2-CG2 4.27Å; Y32-V48 HydrophobicContact CD2-CB 4.04Å; Y32-V48 HydrophobicContact CD2-CG1 3.5Å; Y32-V48 HydrophobicContact CE2-CG1 3.8Å; Y32-V48 HydrophobicContact CG-CG1 4.31Å; Y32-P591 HydrophobicContact CE1-CB 4.14Å; Y32-P591 HydrophobicContact CE1-CG 4.45Å; Y32-P591 HydrophobicContact CE2-CB 4.07Å; Y32-P591 HydrophobicContact CE2-CG 3.92Å; Y32-P591 WeakPolarHBondContact OH-CG 3.4Å; Y32-Q599 WeakPolarHBondContact CE1-O 3.39Å; Y32-F600 HydrophobicContact CD1-CB 4.03Å; Y32-F600 AromaticContact CD1-CD2 3.72Å; Y32-F600 HydrophobicContact CD1-CD2 3.72Å; Y32-F600 HydrophobicContact CD1-CG 4.34Å; Y32-F600 HydrophobicContact CE1-CB 4.28Å; Y32-F600 HydrophobicContact CE1-CD2 4.36Å; Y32-F600 AromaticContact CG-CD2 3.9Å; Y32-F600 HydrophobicContact CG-CD2 3.9Å; Y32-F600 HydrophobicContact CG-CE2 4.49Å
33	E	93.1	Very high	92.4	Very high	114 Å²	114	36.8 Å²	36.8	53%	0.533	18%	0.182	S	C	.	.	H	α-helix	trans	-59.9	-32.1	176	-73.4	172.8	-176.9	0	0	112.2	Q29 R31 K35	Q29-E33 HydrophobicContact CG-CG 4.42Å; Q29-E33 VanDerWaalsContact CG-OE1 3.31Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.48Å; Q29-E33 PolarHBondContact NE2-OE1 2.74Å; Q29-E33 WeakPolarHBondContact O-CG 3.31Å; Q29-E33 PolarHBondContact O-N 2.87Å; R31-E33 PolarHBondContact O-N 3.01Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.43Å
34	S	92.1	Very high	92.4	Very high	56 Å²	56	35.6 Å²	35.6	39%	0.392	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	13.2	174.8	-51.9	0	0	0	0	114.2	V8 L30 R31 Y32 E36	V8-S34 WeakPolarHBondContact CG1-OG 3.47Å; V8-S34 VanDerWaalsContact CG2-CB 3.43Å; V8-S34 WeakPolarHBondContact CG2-OG 3.3Å; L30-S34 PolarHBondContact O-N 3.48Å; L30-S34 PolarHBondContact O-OG 3.34Å; R31-S34 CarbonylContact O-C 3.58Å; R31-S34 PolarHBondContact O-N 2.9Å; R31-S34 VanDerWaalsContact O-N 3.14Å; Y32-S34 PolarHBondContact O-N 3.27Å; S34-E36 PolarHBondContact O-N 3.21Å
35	K	93.3	Very high	92.6	Very high	140 Å²	140	35.6 Å²	35.6	61%	0.609	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	19.4	179.9	-50.8	176.6	-177.3	177.2	0	114.7	R31 Y32 E33 I37	R31-K35 PolarHBondContact O-N 3.36Å; Y32-K35 WeakPolarHBondContact O-CA 3.5Å; Y32-K35 PolarHBondContact O-N 2.9Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.43Å; K35-I37 PolarHBondContact O-N 3.14Å
36	E	93.7	Very high	92.7	Very high	40 Å²	40	34.7 Å²	34.7	19%	0.187	17%	0.169	C	C	.	.			trans	-93.6	86.8	172.9	-65.6	-73.6	179.8	0	0	109.1	R31 S34 K74	R31-E36 CarbonylContact C-O 3.5Å; R31-E36 HydrophobicContact CB-CB 4.25Å; R31-E36 WeakPolarHBondContact CB-O 3.4Å; R31-E36 WeakPolarHBondContact O-CB 3.45Å; R31-E36 PolarHBondContact O-N 2.82Å; S34-E36 PolarHBondContact O-N 3.21Å; E36-K74 IonicContact OE1-NZ 3.4Å; E36-K74 PolarHBondContact OE1-NZ 2.87Å
37	I	95.8	Very high	92.9	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.14	C	C	.	.			trans	-81.9	-13.8	-171.3	58.4	163.3	0	0	0	115.3	Y32 K35 V48 P50 L54 I56 Y57	Y32-I37 HydrophobicContact CD2-CG2 4.27Å; K35-I37 PolarHBondContact O-N 3.14Å; I37-V48 WeakPolarHBondContact CB-O 3.36Å; I37-V48 WeakPolarHBondContact CG2-O 3.2Å; I37-V48 PolarHBondContact O-N 3.47Å; I37-P50 HydrophobicContact CD1-CG 4.11Å; I37-P50 HydrophobicContact CG2-CB 3.94Å; I37-P50 HydrophobicContact CG2-CG 4.32Å; I37-L54 HydrophobicContact CD1-CD1 3.82Å; I37-L54 HydrophobicContact CG1-CD1 3.99Å; I37-L54 HydrophobicContact CG2-CD1 3.88Å; I37-I56 HydrophobicContact CD1-CD1 4.26Å; I37-I56 HydrophobicContact CG1-CD1 4.32Å; I37-Y57 WeakPolarHBondContact CD1-OH 3.48Å
38	Y	96.6	Very high	93	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.8	-178.8	-66.6	-61.2	0	0	0	110.6	R31 V45 I46 S47 I56 Y57 P75 H76 I77	R31-Y38 PolarHBondContact NH2-O 3.3Å; Y38-V45 HydrophobicContact CD1-CG1 3.75Å; Y38-V45 HydrophobicContact CE1-CG1 4.41Å; Y38-I46 VanDerWaalsContact CA-O 3.3Å; Y38-I46 WeakPolarHBondContact CA-O 3.35Å; Y38-S47 WeakPolarHBondContact CE1-OG 3.47Å; Y38-I56 HydrophobicContact CD2-CD1 4.39Å; Y38-I56 HydrophobicContact CE2-CD1 3.96Å; Y38-Y57 HydrophobicContact CE2-CE1 4.02Å; Y38-Y57 WeakPolarHBondContact OH-CE1 2.92Å; Y38-Y57 PolarHBondContact OH-OH 3.38Å; Y38-P75 WeakPolarHBondContact CB-O 3.32Å; Y38-P75 WeakPolarHBondContact O-CB 3.49Å; Y38-H76 AromaticContact CD2-CD2 3.65Å; Y38-H76 AromaticContact CE2-CD2 3.61Å; Y38-H76 AromaticContact CE2-NE2 3.72Å; Y38-I77 HydrophobicContact CE1-CB 3.87Å; Y38-I77 HydrophobicContact CE1-CG2 4.32Å; Y38-I77 HydrophobicContact CE2-CB 4.49Å; Y38-I77 HydrophobicContact CE2-CG2 4.23Å; Y38-I77 WeakPolarHBondContact OH-CG2 3.37Å
39	T	94.9	Very high	92.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143	175.3	-51.8	0	0	0	0	108.7	E11 L13 L28 R31 I46	E11-T39 WeakPolarHBondContact O-CG2 3.28Å; L13-T39 HydrophobicContact CD2-CG2 3.95Å; L13-T39 HydrophobicContact CG-CG2 3.9Å; L28-T39 HydrophobicContact CD2-CG2 4.44Å; R31-T39 PolarHBondContact NE-OG1 3.06Å; T39-I46 PolarHBondContact N-O 3.23Å; T39-I46 WeakPolarHBondContact O-CB 3.48Å; T39-I46 PolarHBondContact O-N 3.01Å
40	Y	91.8	Very high	92.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	153.4	179.8	-63.5	-35	0	0	0	112.8	E11 D12 L13 V44 V45 F70 P75 H76 A79	E11-Y40 PolarHBondContact O-N 3.2Å; D12-Y40 CarbonylContact C-O 3.52Å; D12-Y40 WeakPolarHBondContact CA-O 3.45Å; L13-Y40 PolarHBondContact N-O 3.16Å; Y40-V44 CarbonylContact C-O 3.55Å; Y40-V44 WeakPolarHBondContact CA-O 3.25Å; Y40-V45 HydrophobicContact CD1-CG2 3.91Å; Y40-V45 HydrophobicContact CE1-CG2 3.73Å; Y40-F70 HydrophobicContact CD1-CD1 4.18Å; Y40-F70 AromaticContact CD1-CE1 3.96Å; Y40-F70 HydrophobicContact CD1-CE1 3.96Å; Y40-F70 HydrophobicContact CD2-CD1 4.04Å; Y40-F70 AromaticContact CE1-CD1 3.85Å; Y40-F70 HydrophobicContact CE1-CD1 3.85Å; Y40-F70 AromaticContact CE1-CE1 3.62Å; Y40-F70 HydrophobicContact CE1-CE1 3.62Å; Y40-F70 AromaticContact CE2-CD1 3.68Å; Y40-F70 HydrophobicContact CE2-CD1 3.68Å; Y40-F70 HydrophobicContact CE2-CE1 4.32Å; Y40-F70 HydrophobicContact CG-CD1 4.27Å; Y40-F70 HydrophobicContact CG-CE1 4.45Å; Y40-F70 AromaticContact CZ-CD1 3.55Å; Y40-F70 AromaticContact CZ-CE1 3.78Å; Y40-P75 HydrophobicContact CD1-CB 4.07Å; Y40-P75 HydrophobicContact CD2-CB 4.03Å; Y40-P75 HydrophobicContact CD2-CG 3.91Å; Y40-P75 HydrophobicContact CE1-CB 3.89Å; Y40-P75 HydrophobicContact CE2-CB 3.88Å; Y40-P75 HydrophobicContact CE2-CG 3.98Å; Y40-P75 HydrophobicContact CG-CB 4.14Å; Y40-P75 HydrophobicContact CG-CG 4.31Å; Y40-P75 WeakPolarHBondContact OH-CA 3.1Å; Y40-H76 PolarHBondContact OH-N 2.98Å; Y40-H76 PolarHBondContact OH-O 3.04Å; Y40-A79 WeakPolarHBondContact OH-CB 3.32Å
41	I	88.3	Confident	92.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	92.1	154.1	-57.5	166.2	0	0	0	105.8	D12 L13 V14 N43 V44 I46 L614 N617 V618 R621	D12-I41 WeakPolarHBondContact OD1-CA 3.45Å; L13-I41 HydrophobicContact CB-CG1 4.05Å; L13-I41 HydrophobicContact CD1-CD1 4.2Å; L13-I41 HydrophobicContact CD1-CG1 3.87Å; L13-I41 HydrophobicContact CG-CG1 4.26Å; V14-I41 HydrophobicContact CG2-CG2 4.21Å; I41-N43 PolarHBondContact O-N 2.93Å; I41-N43 VanDerWaalsContact O-N 3.08Å; I41-V44 HydrophobicContact CB-CB 4.19Å; I41-V44 PolarHBondContact N-O 2.88Å; I41-V44 WeakPolarHBondContact O-CB 3.26Å; I41-V44 PolarHBondContact O-N 3.48Å; I41-I46 HydrophobicContact CD1-CD1 3.67Å; I41-I46 HydrophobicContact CD1-CG1 4.16Å; I41-I46 HydrophobicContact CG1-CD1 3.83Å; I41-I46 HydrophobicContact CG1-CG1 4.42Å; I41-L614 HydrophobicContact CD1-CB 4.21Å; I41-L614 HydrophobicContact CD1-CD2 3.97Å; I41-N617 HydrophobicContact CD1-CB 4.31Å; I41-N617 HydrophobicContact CG2-CB 4.44Å; I41-N617 WeakPolarHBondContact CG2-OD1 3.35Å; I41-V618 HydrophobicContact CB-CG2 4.39Å; I41-V618 HydrophobicContact CD1-CG2 3.94Å; I41-V618 HydrophobicContact CG1-CG2 3.86Å; I41-V618 HydrophobicContact CG2-CB 4.34Å; I41-V618 HydrophobicContact CG2-CG2 3.64Å; I41-R621 HydrophobicContact CG2-CB 4.49Å; I41-R621 HydrophobicContact CG2-CG 4.3Å
42	G	82.8	Confident	92.4	Very high	7 Å²	7	28 Å²	28	7%	0.072	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-117.1	-171.1	0	0	0	0	0	111.3	D12 Y71	D12-G42 PolarHBondContact OD1-N 3.38Å; D12-G42 VanDerWaalsContact OD1-N 3.14Å; D12-G42 PolarHBondContact OD2-N 3.4Å; G42-Y71 VanDerWaalsContact CA-OH 3.22Å; G42-Y71 WeakPolarHBondContact CA-OH 3.39Å; G42-Y71 PolarHBondContact O-OH 2.81Å
43	N	80.6	Confident	92.2	Very high	43 Å²	43	36.9 Å²	36.9	23%	0.23	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.7	175.2	63.9	-16.4	0	0	0	114.6	I41 R621	I41-N43 PolarHBondContact O-N 2.93Å; I41-N43 VanDerWaalsContact O-N 3.08Å; N43-R621 PolarHBondContact ND2-NH2 3.12Å; N43-R621 VanDerWaalsContact OD1-CZ 3.31Å; N43-R621 PolarHBondContact OD1-NE 3.44Å; N43-R621 PolarHBondContact OD1-NH2 3.1Å
44	V	90.2	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.6	176.2	-178.8	0	0	0	0	109.6	Y40 I41 F408 Y585 R587	Y40-V44 CarbonylContact C-O 3.55Å; Y40-V44 WeakPolarHBondContact CA-O 3.25Å; I41-V44 HydrophobicContact CB-CB 4.19Å; I41-V44 PolarHBondContact N-O 2.88Å; I41-V44 WeakPolarHBondContact O-CB 3.26Å; I41-V44 PolarHBondContact O-N 3.48Å; V44-F408 HydrophobicContact CG2-CZ 4.48Å; V44-Y585 HydrophobicContact CG2-CD2 4.43Å; V44-R587 HydrophobicContact CG1-CG 3.72Å
45	V	95.6	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.7	176.6	-177.6	0	0	0	0	110.5	Y38 Y40 F70 L80 Y585 I586 R587	Y38-V45 HydrophobicContact CD1-CG1 3.75Å; Y38-V45 HydrophobicContact CE1-CG1 4.41Å; Y40-V45 HydrophobicContact CD1-CG2 3.91Å; Y40-V45 HydrophobicContact CE1-CG2 3.73Å; V45-F70 HydrophobicContact CG2-CE1 4.34Å; V45-L80 HydrophobicContact CB-CD1 4.28Å; V45-L80 HydrophobicContact CG2-CB 3.8Å; V45-L80 HydrophobicContact CG2-CD1 3.62Å; V45-L80 HydrophobicContact CG2-CG 4.37Å; V45-Y585 PolarHBondContact N-O 2.81Å; V45-I586 HydrophobicContact CB-CG1 4.5Å; V45-I586 CarbonylContact O-C 3.44Å; V45-I586 VanDerWaalsContact O-CA 3.3Å; V45-I586 WeakPolarHBondContact O-CA 3.31Å; V45-R587 PolarHBondContact O-N 3.16Å
46	I	96.9	Very high	92.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.4	164.9	-60.5	165.3	0	0	0	108.3	L13 L28 Y38 T39 I41 V48 R587 I589 L614	L13-I46 HydrophobicContact CD1-CD1 3.39Å; L13-I46 HydrophobicContact CG-CD1 4.38Å; L28-I46 HydrophobicContact CD2-CG2 4.29Å; Y38-I46 VanDerWaalsContact CA-O 3.3Å; Y38-I46 WeakPolarHBondContact CA-O 3.35Å; T39-I46 PolarHBondContact N-O 3.23Å; T39-I46 WeakPolarHBondContact O-CB 3.48Å; T39-I46 PolarHBondContact O-N 3.01Å; I41-I46 HydrophobicContact CD1-CD1 3.67Å; I41-I46 HydrophobicContact CD1-CG1 4.16Å; I41-I46 HydrophobicContact CG1-CD1 3.83Å; I41-I46 HydrophobicContact CG1-CG1 4.42Å; I46-V48 HydrophobicContact CG2-CG2 4.37Å; I46-R587 CarbonylContact C-O 3.59Å; I46-R587 VanDerWaalsContact CA-O 3.32Å; I46-R587 WeakPolarHBondContact CA-O 3.32Å; I46-R587 HydrophobicContact CG1-CB 4.43Å; I46-I589 HydrophobicContact CG2-CD1 3.64Å; I46-I589 HydrophobicContact CG2-CG1 4.3Å; I46-L614 HydrophobicContact CD1-CD1 4.08Å; I46-L614 HydrophobicContact CD1-CD2 4.39Å; I46-L614 HydrophobicContact CG1-CD2 4.31Å
47	S	97.3	Very high	92	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	110.3	178.9	178.8	0	0	0	0	110	Y38 R587 C588 I589	Y38-S47 WeakPolarHBondContact CE1-OG 3.47Å; S47-R587 PolarHBondContact N-O 3.13Å; S47-C588 CarbonylContact O-C 3.55Å; S47-C588 WeakPolarHBondContact O-CA 3.26Å; S47-I589 PolarHBondContact O-N 2.92Å
48	V	96.7	Very high	91.7	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.2	175.8	-172	0	0	0	0	109.6	Y32 I37 I46 P50 I589 P591	Y32-V48 HydrophobicContact CD2-CB 4.04Å; Y32-V48 HydrophobicContact CD2-CG1 3.5Å; Y32-V48 HydrophobicContact CE2-CG1 3.8Å; Y32-V48 HydrophobicContact CG-CG1 4.31Å; I37-V48 WeakPolarHBondContact CB-O 3.36Å; I37-V48 WeakPolarHBondContact CG2-O 3.2Å; I37-V48 PolarHBondContact O-N 3.47Å; I46-V48 HydrophobicContact CG2-CG2 4.37Å; V48-P50 VanDerWaalsContact O-CD 3.26Å; V48-P50 WeakPolarHBondContact O-CD 3.35Å; V48-I589 WeakPolarHBondContact CA-O 3.45Å; V48-I589 HydrophobicContact CG2-CB 4.34Å; V48-P591 HydrophobicContact CG1-CB 3.87Å; V48-P591 HydrophobicContact CG1-CG 4.21Å
49	N	94.5	Very high	91.4	Very high	31 Å²	31	36.4 Å²	36.4	17%	0.166	20%	0.198	C	C	.	.			trans	-65.6	117.1	-174.2	-173.2	-7.9	0	0	0	112.3	Y51 G104 I589 P591	N49-Y51 VanDerWaalsContact C-N 3.34Å; N49-Y51 VanDerWaalsContact ND2-CE1 3.3Å; N49-Y51 WeakPolarHBondContact ND2-CE1 3.44Å; N49-Y51 PolarHBondContact O-N 3.3Å; N49-Y51 PolarHBondContact OD1-N 2.8Å; N49-G104 PolarHBondContact ND2-O 3.26Å; N49-I589 PolarHBondContact N-O 2.87Å; N49-P591 VanDerWaalsContact O-CD 3.26Å; N49-P591 WeakPolarHBondContact O-CD 3.31Å; N49-P591 WeakPolarHBondContact O-CG 3.38Å
50	P	93.3	Very high	91.2	Very high	15 Å²	15	41.8 Å²	41.8	10%	0.097	22%	0.223	C	C	.	.			trans	-75.5	-13.9	-178.8	29.8	-35.7	0	0	0	115.4	I37 V48 Q52 L54	I37-P50 HydrophobicContact CD1-CG 4.11Å; I37-P50 HydrophobicContact CG2-CB 3.94Å; I37-P50 HydrophobicContact CG2-CG 4.32Å; V48-P50 VanDerWaalsContact O-CD 3.26Å; V48-P50 WeakPolarHBondContact O-CD 3.35Å; P50-Q52 HydrophobicContact CB-CG 3.92Å; P50-Q52 WeakPolarHBondContact CG-O 3.38Å; P50-Q52 PolarHBondContact O-N 2.66Å; P50-L54 HydrophobicContact CB-CD1 4.01Å; P50-L54 HydrophobicContact CB-CG 4.23Å; P50-L54 HydrophobicContact CG-CD1 4.03Å; P50-L54 HydrophobicContact CG-CG 4.2Å
51	Y	89.6	Confident	91.1	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	23%	0.232	C	C	.	.	S	Bend	trans	53.8	20.2	-169.3	-64.5	-64.6	0	0	0	114.9	N49 G104 K590 P591 Q595 R597	N49-Y51 VanDerWaalsContact C-N 3.34Å; N49-Y51 VanDerWaalsContact ND2-CE1 3.3Å; N49-Y51 WeakPolarHBondContact ND2-CE1 3.44Å; N49-Y51 PolarHBondContact O-N 3.3Å; N49-Y51 PolarHBondContact OD1-N 2.8Å; Y51-G104 PolarHBondContact OH-O 3.23Å; Y51-K590 WeakPolarHBondContact OH-CD 3.19Å; Y51-K590 WeakPolarHBondContact OH-CE 3.38Å; Y51-K590 VanDerWaalsContact OH-CG 3.25Å; Y51-K590 WeakPolarHBondContact OH-CG 3.31Å; Y51-P591 HydrophobicContact CD2-CG 4.09Å; Y51-P591 HydrophobicContact CE2-CG 3.84Å; Y51-Q595 HydrophobicContact CD1-CB 3.92Å; Y51-Q595 HydrophobicContact CE1-CB 3.74Å; Y51-Q595 HydrophobicContact CE1-CG 3.89Å; Y51-Q595 HydrophobicContact CG-CB 4.44Å; Y51-R597 WeakPolarHBondContact O-CG 3.48Å; Y51-R597 PolarHBondContact O-NE 3.22Å
52	Q	90	Very high	91.2	Very high	68 Å²	68	45.3 Å²	45.3	32%	0.318	24%	0.239	S	C	.	.	S	Bend	trans	-147.5	153.6	175.7	61.3	-177.6	-5.2	0	0	110.4	P50 L54 R597	P50-Q52 HydrophobicContact CB-CG 3.92Å; P50-Q52 WeakPolarHBondContact CG-O 3.38Å; P50-Q52 PolarHBondContact O-N 2.66Å; Q52-L54 HydrophobicContact CG-CD2 3.98Å; Q52-L54 PolarHBondContact O-N 2.68Å; Q52-R597 HydrophobicContact CB-CG 4.11Å
53	Q	88.3	Confident	91.5	Very high	197 Å²	197	47.7 Å²	47.7	92%	0.921	26%	0.259	S	S	*	.			trans	-73.6	121.1	171.5	-70.5	-175.4	-6.7	0	0	109.7
54	L	91.7	Very high	92	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	27%	0.269	C	S	.	.			trans	-97.7	139.9	175	-64.2	179.7	0	0	0	109.7	I37 P50 Q52 I56	I37-L54 HydrophobicContact CD1-CD1 3.82Å; I37-L54 HydrophobicContact CG1-CD1 3.99Å; I37-L54 HydrophobicContact CG2-CD1 3.88Å; P50-L54 HydrophobicContact CB-CD1 4.01Å; P50-L54 HydrophobicContact CB-CG 4.23Å; P50-L54 HydrophobicContact CG-CD1 4.03Å; P50-L54 HydrophobicContact CG-CG 4.2Å; Q52-L54 HydrophobicContact CG-CD2 3.98Å; Q52-L54 PolarHBondContact O-N 2.68Å; L54-I56 HydrophobicContact CB-CD1 4.02Å; L54-I56 HydrophobicContact CB-CG1 3.87Å; L54-I56 HydrophobicContact CB-CG2 4.5Å; L54-I56 HydrophobicContact CD1-CD1 4.03Å; L54-I56 PolarHBondContact O-N 3.31Å
55	P	92.8	Very high	92	Very high	111 Å²	111	50.9 Å²	50.9	72%	0.721	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	52.5	179.5	35.4	-37.4	0	0	0	111.5	F61	P55-F61 WeakPolarHBondContact O-CE2 3.29Å
56	I	92.9	Very high	91.6	Very high	38 Å²	38	57.2 Å²	57.2	20%	0.195	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	3.3	-177.4	64.3	178.3	0	0	0	113	I37 Y38 L54 F61 H76	I37-I56 HydrophobicContact CD1-CD1 4.26Å; I37-I56 HydrophobicContact CG1-CD1 4.32Å; Y38-I56 HydrophobicContact CD2-CD1 4.39Å; Y38-I56 HydrophobicContact CE2-CD1 3.96Å; L54-I56 HydrophobicContact CB-CD1 4.02Å; L54-I56 HydrophobicContact CB-CG1 3.87Å; L54-I56 HydrophobicContact CB-CG2 4.5Å; L54-I56 HydrophobicContact CD1-CD1 4.03Å; L54-I56 PolarHBondContact O-N 3.31Å; I56-F61 HydrophobicContact CB-CE1 4.26Å; I56-F61 HydrophobicContact CB-CZ 4.37Å; I56-F61 HydrophobicContact CG2-CE1 4.37Å; I56-F61 HydrophobicContact CG2-CZ 4.26Å; I56-F61 VanDerWaalsContact O-CB 3.31Å; I56-F61 WeakPolarHBondContact O-CB 3.45Å; I56-F61 WeakPolarHBondContact O-CD1 3.41Å; I56-F61 WeakPolarHBondContact O-CG 3.27Å; I56-H76 PolarHBondContact O-NE2 2.89Å
57	Y	92.4	Very high	90.7	Very high	61 Å²	61	63 Å²	63	24%	0.239	33%	0.325	C	S	.	.	S	Bend	trans	-115.5	11.3	-176.4	-51.8	-61.7	0	0	0	113.2	I37 Y38 H76 I77 Y78 L113	I37-Y57 WeakPolarHBondContact CD1-OH 3.48Å; Y38-Y57 HydrophobicContact CE2-CE1 4.02Å; Y38-Y57 WeakPolarHBondContact OH-CE1 2.92Å; Y38-Y57 PolarHBondContact OH-OH 3.38Å; Y57-H76 AromaticContact CD1-CE1 3.88Å; Y57-H76 AromaticContact CD1-NE2 3.82Å; Y57-H76 AromaticContact CE1-CE1 3.95Å; Y57-H76 AromaticContact CE1-NE2 3.63Å; Y57-I77 HydrophobicContact CE1-CG2 4.36Å; Y57-Y78 HydrophobicContact CD1-CE2 4.48Å; Y57-Y78 PolarHBondContact O-OH 2.77Å; Y57-L113 HydrophobicContact CD1-CD1 3.99Å; Y57-L113 HydrophobicContact CD1-CD2 3.53Å; Y57-L113 HydrophobicContact CD1-CG 4.39Å; Y57-L113 HydrophobicContact CD2-CD2 4.25Å; Y57-L113 HydrophobicContact CE1-CD1 3.49Å; Y57-L113 VanDerWaalsContact CE1-CD1 3.49Å; Y57-L113 HydrophobicContact CE1-CD2 3.95Å; Y57-L113 HydrophobicContact CE1-CG 4.35Å; Y57-L113 HydrophobicContact CE2-CD1 4.36Å; Y57-L113 HydrophobicContact CG-CD2 3.68Å
58	G	89.4	Confident	89.7	Confident	17 Å²	17	67.3 Å²	67.3	18%	0.175	34%	0.341	C	S	.	.	S	Bend	trans	-68.2	163.4	179.1	0	0	0	0	0	113	E60 F61 I62	G58-E60 PolarHBondContact O-N 2.93Å; G58-E60 VanDerWaalsContact O-N 3.11Å; G58-F61 WeakPolarHBondContact O-CB 3.3Å; G58-F61 PolarHBondContact O-N 3.37Å; G58-I62 PolarHBondContact O-N 2.88Å
59	P	88.8	Confident	88.6	Confident	104 Å²	104	69.9 Å²	69.9	68%	0.675	36%	0.357	S	S	*	.	H	α-helix	trans	-53.9	-30.8	177	-24.9	34.1	0	0	0	113.6	F61 I62 A63	P59-F61 VanDerWaalsContact C-N 3.32Å; P59-F61 PolarHBondContact O-N 3.3Å; P59-I62 PolarHBondContact O-N 3.39Å; P59-A63 PolarHBondContact O-N 2.62Å
60	E	91.1	Very high	87.6	Confident	114 Å²	114	69.5 Å²	69.5	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-36.3	174.8	67.4	-75	174.3	0	0	112.7	G58 K64	G58-E60 PolarHBondContact O-N 2.93Å; G58-E60 VanDerWaalsContact O-N 3.11Å; E60-K64 WeakPolarHBondContact O-CB 3.32Å; E60-K64 PolarHBondContact O-N 3.11Å
61	F	90.8	Very high	86.6	Confident	48 Å²	48	70.2 Å²	70.2	21%	0.211	35%	0.354	C	S	.	.	H	α-helix	trans	-74.2	-37.2	175.5	-75.3	-94.9	0	0	0	111.2	P55 I56 G58 P59 A63 K64 Y65 Y78	P55-F61 WeakPolarHBondContact O-CE2 3.29Å; I56-F61 HydrophobicContact CB-CE1 4.26Å; I56-F61 HydrophobicContact CB-CZ 4.37Å; I56-F61 HydrophobicContact CG2-CE1 4.37Å; I56-F61 HydrophobicContact CG2-CZ 4.26Å; I56-F61 VanDerWaalsContact O-CB 3.31Å; I56-F61 WeakPolarHBondContact O-CB 3.45Å; I56-F61 WeakPolarHBondContact O-CD1 3.41Å; I56-F61 WeakPolarHBondContact O-CG 3.27Å; G58-F61 WeakPolarHBondContact O-CB 3.3Å; G58-F61 PolarHBondContact O-N 3.37Å; P59-F61 VanDerWaalsContact C-N 3.32Å; P59-F61 PolarHBondContact O-N 3.3Å; F61-A63 PolarHBondContact O-N 3.08Å; F61-K64 PolarHBondContact O-N 2.96Å; F61-Y65 HydrophobicContact CD1-CE2 4.12Å; F61-Y65 WeakPolarHBondContact O-CD2 3.37Å; F61-Y65 PolarHBondContact O-N 3.1Å; F61-Y78 HydrophobicContact CB-CD2 4.4Å; F61-Y78 HydrophobicContact CB-CE2 4.29Å
62	I	90.2	Very high	86	Confident	29 Å²	29	71.1 Å²	71.1	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-48.9	173.3	-60.7	178.3	0	0	0	109.9	G58 P59 K64 Y65 R66 Y78 Y117 A120 I121	G58-I62 PolarHBondContact O-N 2.88Å; P59-I62 PolarHBondContact O-N 3.39Å; I62-K64 VanDerWaalsContact C-N 3.34Å; I62-K64 PolarHBondContact O-N 3.21Å; I62-Y65 PolarHBondContact O-N 2.75Å; I62-R66 WeakPolarHBondContact O-CB 3.06Å; I62-R66 PolarHBondContact O-N 3.45Å; I62-R66 VanDerWaalsContact O-N 3.12Å; I62-Y78 HydrophobicContact CG1-CD2 4.2Å; I62-Y78 HydrophobicContact CG1-CE2 3.61Å; I62-Y117 HydrophobicContact CB-CD2 4.36Å; I62-Y117 HydrophobicContact CB-CE2 4.4Å; I62-Y117 HydrophobicContact CG1-CD2 4.17Å; I62-Y117 HydrophobicContact CG2-CD2 3.92Å; I62-Y117 HydrophobicContact CG2-CE2 3.87Å; I62-A120 HydrophobicContact CD1-CB 3.81Å; I62-A120 HydrophobicContact CG2-CB 4.04Å; I62-I121 HydrophobicContact CG2-CG2 3.99Å
63	A	89.6	Confident	85.7	Confident	58 Å²	58	69.3 Å²	69.3	48%	0.479	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-41.8	176.2	0	0	0	0	0	111.9	P59 F61 R66	P59-A63 PolarHBondContact O-N 2.62Å; F61-A63 PolarHBondContact O-N 3.08Å; A63-R66 WeakPolarHBondContact O-CB 3.35Å; A63-R66 PolarHBondContact O-N 2.89Å
64	K	89.9	Confident	85.6	Confident	102 Å²	102	64.2 Å²	64.2	44%	0.443	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-40.1	178.7	-173.2	-176.3	180	-174.7	0	112.9	E60 F61 I62 Y68 L73	E60-K64 WeakPolarHBondContact O-CB 3.32Å; E60-K64 PolarHBondContact O-N 3.11Å; F61-K64 PolarHBondContact O-N 2.96Å; I62-K64 VanDerWaalsContact C-N 3.34Å; I62-K64 PolarHBondContact O-N 3.21Å; K64-Y68 WeakPolarHBondContact O-CD2 3.1Å; K64-L73 HydrophobicContact CD-CD1 4.37Å; K64-L73 HydrophobicContact CG-CD1 3.88Å
65	Y	90.4	Very high	85.6	Confident	8 Å²	8	63.5 Å²	63.5	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-87.1	-6.8	-178.2	-80.6	-89.2	0	0	0	113.6	F61 I62 Y68 L73 K74 H76 A79 N82	F61-Y65 HydrophobicContact CD1-CE2 4.12Å; F61-Y65 WeakPolarHBondContact O-CD2 3.37Å; F61-Y65 PolarHBondContact O-N 3.1Å; I62-Y65 PolarHBondContact O-N 2.75Å; Y65-Y68 VanDerWaalsContact O-O 3.13Å; Y65-L73 HydrophobicContact CD1-CD1 4.03Å; Y65-L73 HydrophobicContact CD2-CD1 4.48Å; Y65-L73 HydrophobicContact CE1-CB 3.8Å; Y65-L73 HydrophobicContact CE1-CD1 3.95Å; Y65-L73 HydrophobicContact CE2-CD1 4.4Å; Y65-L73 HydrophobicContact CG-CD1 4.3Å; Y65-K74 WeakPolarHBondContact CE1-O 3.47Å; Y65-K74 PolarHBondContact OH-O 2.77Å; Y65-H76 HydrophobicContact CD1-CB 4.21Å; Y65-H76 HydrophobicContact CE1-CB 3.51Å; Y65-H76 HydrophobicContact CE2-CB 3.96Å; Y65-H76 AromaticContact CZ-CG 3.96Å; Y65-H76 WeakPolarHBondContact OH-CB 3.33Å; Y65-A79 HydrophobicContact CD1-CB 4Å; Y65-A79 HydrophobicContact CE1-CB 4.29Å; Y65-N82 PolarHBondContact O-ND2 3.23Å
66	R	86.9	Confident	85.7	Confident	133 Å²	133	58.4 Å²	58.4	50%	0.502	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.1	-178	-177.3	177.6	174.4	1.1	113.3	I62 A63 N82 Y117	I62-R66 WeakPolarHBondContact O-CB 3.06Å; I62-R66 PolarHBondContact O-N 3.45Å; I62-R66 VanDerWaalsContact O-N 3.12Å; A63-R66 WeakPolarHBondContact O-CB 3.35Å; A63-R66 PolarHBondContact O-N 2.89Å; R66-N82 PolarHBondContact O-ND2 2.82Å; R66-N82 PolarHBondContact O-OD1 3.2Å; R66-Y117 WeakPolarHBondContact CA-OH 3.31Å
67	D	78.4	Confident	85.8	Confident	122 Å²	122	56.6 Å²	56.6	65%	0.652	28%	0.281	S	S	*	.	S	Bend	trans	-93.3	-1.3	-172.6	-61.3	-31.2	0	0	0	113.1
68	Y	77.1	Confident	85.9	Confident	98 Å²	98	53.9 Å²	53.9	38%	0.384	27%	0.27	S	S	.	.			trans	-123.6	149.9	-173.9	-66.5	-93.7	0	0	0	111.6	K64 Y65 E72 L73 N82	K64-Y68 WeakPolarHBondContact O-CD2 3.1Å; Y65-Y68 VanDerWaalsContact O-O 3.13Å; Y68-E72 WeakPolarHBondContact CA-OE2 3.27Å; Y68-E72 HydrophobicContact CD1-CB 3.8Å; Y68-L73 HydrophobicContact CD1-CD1 4.3Å; Y68-L73 HydrophobicContact CD1-CD2 4.34Å; Y68-L73 HydrophobicContact CD1-CG 3.99Å; Y68-L73 HydrophobicContact CD2-CD1 3.82Å; Y68-L73 HydrophobicContact CD2-CG 4.39Å; Y68-L73 HydrophobicContact CE1-CD2 4.49Å; Y68-L73 HydrophobicContact CG-CD1 3.65Å; Y68-L73 HydrophobicContact CG-CD2 4.47Å; Y68-L73 HydrophobicContact CG-CG 3.82Å; Y68-N82 PolarHBondContact O-ND2 3.01Å
69	T	72.4	Confident	86	Confident	58 Å²	58	53.1 Å²	53.1	36%	0.356	26%	0.262	S	S	.	.			trans	-106.4	-177.5	179.6	58.4	0	0	0	0	110.9	E72	T69-E72 PolarHBondContact N-OE2 3.12Å; T69-E72 PolarHBondContact OG1-OE2 3.28Å
70	F	74.3	Confident	86.3	Confident	22 Å²	22	48.1 Å²	48.1	10%	0.096	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	150.5	171.2	-73.3	-90.9	0	0	0	110.8	Y40 V45 E72 L80 V83	Y40-F70 HydrophobicContact CD1-CD1 4.18Å; Y40-F70 AromaticContact CD1-CE1 3.96Å; Y40-F70 HydrophobicContact CD1-CE1 3.96Å; Y40-F70 HydrophobicContact CD2-CD1 4.04Å; Y40-F70 AromaticContact CE1-CD1 3.85Å; Y40-F70 HydrophobicContact CE1-CD1 3.85Å; Y40-F70 AromaticContact CE1-CE1 3.62Å; Y40-F70 HydrophobicContact CE1-CE1 3.62Å; Y40-F70 AromaticContact CE2-CD1 3.68Å; Y40-F70 HydrophobicContact CE2-CD1 3.68Å; Y40-F70 HydrophobicContact CE2-CE1 4.32Å; Y40-F70 HydrophobicContact CG-CD1 4.27Å; Y40-F70 HydrophobicContact CG-CE1 4.45Å; Y40-F70 AromaticContact CZ-CD1 3.55Å; Y40-F70 AromaticContact CZ-CE1 3.78Å; V45-F70 HydrophobicContact CG2-CE1 4.34Å; F70-E72 PolarHBondContact O-N 3.22Å; F70-L80 HydrophobicContact CZ-CB 3.86Å; F70-L80 HydrophobicContact CZ-CG 4.45Å; F70-V83 HydrophobicContact CD2-CB 4.44Å; F70-V83 HydrophobicContact CD2-CG2 3.69Å; F70-V83 HydrophobicContact CE2-CB 3.96Å; F70-V83 HydrophobicContact CE2-CG1 4.31Å; F70-V83 HydrophobicContact CE2-CG2 3.68Å
71	Y	72.6	Confident	86.3	Confident	30 Å²	30	42.7 Å²	42.7	12%	0.118	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-13.1	177.3	-48.6	-71.9	0	0	0	117.3	D12 G42 H627 L686 F687	D12-Y71 HydrophobicContact CB-CE1 4.22Å; D12-Y71 WeakPolarHBondContact OD2-CE1 3.45Å; D12-Y71 PolarHBondContact OD2-OH 3.21Å; G42-Y71 VanDerWaalsContact CA-OH 3.22Å; G42-Y71 WeakPolarHBondContact CA-OH 3.39Å; G42-Y71 PolarHBondContact O-OH 2.81Å; Y71-H627 AromaticContact CD2-ND1 3.95Å; Y71-L686 HydrophobicContact CD1-CD2 4.35Å; Y71-L686 HydrophobicContact CD2-CD2 4.18Å; Y71-L686 HydrophobicContact CG-CD2 3.88Å; Y71-F687 HydrophobicContact CD1-CZ 4.2Å
72	E	76.1	Confident	86.4	Confident	56 Å²	56	40.6 Å²	40.6	26%	0.262	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-27.4	176.6	-57.2	-174.9	114.7	0	0	113	Y68 T69 F70 R637	Y68-E72 WeakPolarHBondContact CA-OE2 3.27Å; Y68-E72 HydrophobicContact CD1-CB 3.8Å; T69-E72 PolarHBondContact N-OE2 3.12Å; T69-E72 PolarHBondContact OG1-OE2 3.28Å; F70-E72 PolarHBondContact O-N 3.22Å; E72-R637 IonicContact OE1-CZ 3.25Å; E72-R637 VanDerWaalsContact OE1-CZ 3.31Å; E72-R637 IonicContact OE1-NH1 2.74Å; E72-R637 PolarHBondContact OE1-NH1 2.85Å; E72-R637 IonicContact OE1-NH2 3.3Å
73	L	83.1	Confident	86.3	Confident	30 Å²	30	41.2 Å²	41.2	16%	0.157	20%	0.201	C	C	.	.	S	Bend	trans	-128.9	166.5	176.4	-66.2	-179.6	0	0	0	110.4	K64 Y65 Y68	K64-L73 HydrophobicContact CD-CD1 4.37Å; K64-L73 HydrophobicContact CG-CD1 3.88Å; Y65-L73 HydrophobicContact CD1-CD1 4.03Å; Y65-L73 HydrophobicContact CD2-CD1 4.48Å; Y65-L73 HydrophobicContact CE1-CB 3.8Å; Y65-L73 HydrophobicContact CE1-CD1 3.95Å; Y65-L73 HydrophobicContact CE2-CD1 4.4Å; Y65-L73 HydrophobicContact CG-CD1 4.3Å; Y68-L73 HydrophobicContact CD1-CD1 4.3Å; Y68-L73 HydrophobicContact CD1-CD2 4.34Å; Y68-L73 HydrophobicContact CD1-CG 3.99Å; Y68-L73 HydrophobicContact CD2-CD1 3.82Å; Y68-L73 HydrophobicContact CD2-CG 4.39Å; Y68-L73 HydrophobicContact CE1-CD2 4.49Å; Y68-L73 HydrophobicContact CG-CD1 3.65Å; Y68-L73 HydrophobicContact CG-CD2 4.47Å; Y68-L73 HydrophobicContact CG-CG 3.82Å
74	K	87.5	Confident	86.4	Confident	91 Å²	91	38.5 Å²	38.5	40%	0.396	18%	0.178	S	C	.	.	S	Bend	trans	-53.2	151.3	174.8	-72.6	-171.7	168.4	-168.5	0	112.1	E36 Y65 H76	E36-K74 IonicContact OE1-NZ 3.4Å; E36-K74 PolarHBondContact OE1-NZ 2.87Å; Y65-K74 WeakPolarHBondContact CE1-O 3.47Å; Y65-K74 PolarHBondContact OH-O 2.77Å; K74-H76 PolarHBondContact O-N 2.82Å
75	P	91.8	Very high	86.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.019	16%	0.159	C	C	.	.			trans	-53.6	128.3	178.2	-28.1	35.1	0	0	0	114.1	E11 Y38 Y40	E11-P75 HydrophobicContact CB-CG 3.69Å; E11-P75 HydrophobicContact CG-CG 4.09Å; E11-P75 WeakPolarHBondContact O-CG 3.39Å; Y38-P75 WeakPolarHBondContact CB-O 3.32Å; Y38-P75 WeakPolarHBondContact O-CB 3.49Å; Y40-P75 HydrophobicContact CD1-CB 4.07Å; Y40-P75 HydrophobicContact CD2-CB 4.03Å; Y40-P75 HydrophobicContact CD2-CG 3.91Å; Y40-P75 HydrophobicContact CE1-CB 3.89Å; Y40-P75 HydrophobicContact CE2-CB 3.88Å; Y40-P75 HydrophobicContact CE2-CG 3.98Å; Y40-P75 HydrophobicContact CG-CB 4.14Å; Y40-P75 HydrophobicContact CG-CG 4.31Å; Y40-P75 WeakPolarHBondContact OH-CA 3.1Å
76	H	94.1	Very high	86.3	Confident	5 Å²	5	36.4 Å²	36.4	2%	0.023	17%	0.169	C	C	.	.			trans	-158.2	147	178.7	-160.4	-98.4	0	0	0	112.1	Y38 Y40 I56 Y57 Y65 K74 Y78 A79	Y38-H76 AromaticContact CD2-CD2 3.65Å; Y38-H76 AromaticContact CE2-CD2 3.61Å; Y38-H76 AromaticContact CE2-NE2 3.72Å; Y40-H76 PolarHBondContact OH-N 2.98Å; Y40-H76 PolarHBondContact OH-O 3.04Å; I56-H76 PolarHBondContact O-NE2 2.89Å; Y57-H76 AromaticContact CD1-CE1 3.88Å; Y57-H76 AromaticContact CD1-NE2 3.82Å; Y57-H76 AromaticContact CE1-CE1 3.95Å; Y57-H76 AromaticContact CE1-NE2 3.63Å; Y65-H76 HydrophobicContact CD1-CB 4.21Å; Y65-H76 HydrophobicContact CE1-CB 3.51Å; Y65-H76 HydrophobicContact CE2-CB 3.96Å; Y65-H76 AromaticContact CZ-CG 3.96Å; Y65-H76 WeakPolarHBondContact OH-CB 3.33Å; K74-H76 PolarHBondContact O-N 2.82Å; H76-Y78 AromaticContact CE1-CD2 3.34Å; H76-Y78 WeakPolarHBondContact CE1-CD2 3.33Å; H76-Y78 AromaticContact CE1-CE2 3.71Å; H76-Y78 AromaticContact CE1-CG 3.52Å; H76-Y78 WeakPolarHBondContact ND1-CB 3.34Å; H76-Y78 AromaticContact ND1-CD2 3.52Å; H76-Y78 AromaticContact ND1-CG 3.39Å; H76-Y78 PolarHBondContact ND1-N 3.38Å; H76-Y78 VanDerWaalsContact ND1-N 3.16Å; H76-Y78 PolarHBondContact O-N 2.82Å; H76-A79 WeakPolarHBondContact O-CB 3.26Å; H76-A79 PolarHBondContact O-N 3.08Å; H76-A79 VanDerWaalsContact O-N 3.13Å
77	I	95.2	Very high	86.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-30.9	178	-168.4	165.2	0	0	0	113.2	Y38 Y57 A79 L80 A81 A110 L113 V114 I586	Y38-I77 HydrophobicContact CE1-CB 3.87Å; Y38-I77 HydrophobicContact CE1-CG2 4.32Å; Y38-I77 HydrophobicContact CE2-CB 4.49Å; Y38-I77 HydrophobicContact CE2-CG2 4.23Å; Y38-I77 WeakPolarHBondContact OH-CG2 3.37Å; Y57-I77 HydrophobicContact CE1-CG2 4.36Å; I77-A79 VanDerWaalsContact C-N 3.3Å; I77-A79 PolarHBondContact O-N 3.1Å; I77-L80 PolarHBondContact O-N 2.86Å; I77-A81 PolarHBondContact O-N 3.4Å; I77-A81 VanDerWaalsContact O-N 3.09Å; I77-A110 HydrophobicContact CD1-CB 3.74Å; I77-L113 HydrophobicContact CD1-CB 4.37Å; I77-L113 HydrophobicContact CG2-CB 4.42Å; I77-L113 HydrophobicContact CG2-CD1 4.4Å; I77-V114 HydrophobicContact CD1-CG2 3.94Å; I77-V114 HydrophobicContact CG1-CG2 3.95Å; I77-I586 HydrophobicContact CD1-CD1 3.75Å; I77-I586 HydrophobicContact CG1-CD1 3.91Å
78	Y	94.6	Very high	86.9	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-26.6	177.8	-65.8	-17.7	0	0	0	113.6	Y57 F61 I62 H76 L80 A81 N82 L113 Y117	Y57-Y78 HydrophobicContact CD1-CE2 4.48Å; Y57-Y78 PolarHBondContact O-OH 2.77Å; F61-Y78 HydrophobicContact CB-CD2 4.4Å; F61-Y78 HydrophobicContact CB-CE2 4.29Å; I62-Y78 HydrophobicContact CG1-CD2 4.2Å; I62-Y78 HydrophobicContact CG1-CE2 3.61Å; H76-Y78 AromaticContact CE1-CD2 3.34Å; H76-Y78 WeakPolarHBondContact CE1-CD2 3.33Å; H76-Y78 AromaticContact CE1-CE2 3.71Å; H76-Y78 AromaticContact CE1-CG 3.52Å; H76-Y78 WeakPolarHBondContact ND1-CB 3.34Å; H76-Y78 AromaticContact ND1-CD2 3.52Å; H76-Y78 AromaticContact ND1-CG 3.39Å; H76-Y78 PolarHBondContact ND1-N 3.38Å; H76-Y78 VanDerWaalsContact ND1-N 3.16Å; H76-Y78 PolarHBondContact O-N 2.82Å; Y78-L80 VanDerWaalsContact C-N 3.35Å; Y78-A81 PolarHBondContact O-N 2.71Å; Y78-N82 VanDerWaalsContact O-CB 3.26Å; Y78-N82 WeakPolarHBondContact O-CB 3.4Å; Y78-N82 PolarHBondContact O-N 2.72Å; Y78-L113 HydrophobicContact CE1-CB 4.38Å; Y78-Y117 AromaticContact CD1-CD2 3.46Å; Y78-Y117 HydrophobicContact CD1-CD2 3.46Å; Y78-Y117 VanDerWaalsContact CD1-CD2 3.46Å; Y78-Y117 HydrophobicContact CD1-CE2 4.37Å; Y78-Y117 AromaticContact CD1-CG 3.76Å; Y78-Y117 HydrophobicContact CD1-CG 3.76Å; Y78-Y117 AromaticContact CD2-CD2 3.83Å; Y78-Y117 HydrophobicContact CD2-CD2 3.83Å; Y78-Y117 HydrophobicContact CD2-CE2 4.24Å; Y78-Y117 HydrophobicContact CE1-CD2 4Å; Y78-Y117 HydrophobicContact CE1-CG 4.26Å; Y78-Y117 HydrophobicContact CE2-CD2 4.33Å; Y78-Y117 AromaticContact CG-CD2 3.37Å; Y78-Y117 HydrophobicContact CG-CD2 3.37Å; Y78-Y117 AromaticContact CG-CE2 3.87Å; Y78-Y117 HydrophobicContact CG-CE2 3.87Å; Y78-Y117 HydrophobicContact CG-CG 4.11Å
79	A	91.9	Very high	87.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-43.4	173.2	0	0	0	0	0	110.9	Y40 Y65 H76 I77 N82 V83	Y40-A79 WeakPolarHBondContact OH-CB 3.32Å; Y65-A79 HydrophobicContact CD1-CB 4Å; Y65-A79 HydrophobicContact CE1-CB 4.29Å; H76-A79 WeakPolarHBondContact O-CB 3.26Å; H76-A79 PolarHBondContact O-N 3.08Å; H76-A79 VanDerWaalsContact O-N 3.13Å; I77-A79 VanDerWaalsContact C-N 3.3Å; I77-A79 PolarHBondContact O-N 3.1Å; A79-N82 PolarHBondContact O-N 3Å; A79-V83 WeakPolarHBondContact O-CG2 3.43Å; A79-V83 PolarHBondContact O-N 3.37Å
80	L	93.6	Very high	88	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-46.4	175.1	-179.5	150.9	0	0	0	111.3	V45 F70 I77 Y78 N82 V83 A84 I97 N584 Y585 I586	V45-L80 HydrophobicContact CB-CD1 4.28Å; V45-L80 HydrophobicContact CG2-CB 3.8Å; V45-L80 HydrophobicContact CG2-CD1 3.62Å; V45-L80 HydrophobicContact CG2-CG 4.37Å; F70-L80 HydrophobicContact CZ-CB 3.86Å; F70-L80 HydrophobicContact CZ-CG 4.45Å; I77-L80 PolarHBondContact O-N 2.86Å; Y78-L80 VanDerWaalsContact C-N 3.35Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 2.91Å; L80-V83 PolarHBondContact O-N 2.9Å; L80-A84 WeakPolarHBondContact O-CB 3.3Å; L80-A84 PolarHBondContact O-N 2.98Å; L80-I97 HydrophobicContact CD2-CD1 3.69Å; L80-I97 HydrophobicContact CD2-CG1 3.95Å; L80-I97 HydrophobicContact CD2-CG2 3.99Å; L80-N584 HydrophobicContact CD1-CB 4.14Å; L80-N584 HydrophobicContact CD2-CB 4.03Å; L80-N584 HydrophobicContact CG-CB 4.09Å; L80-Y585 WeakPolarHBondContact CD1-O 3.4Å; L80-I586 HydrophobicContact CD1-CG1 3.97Å; L80-I586 HydrophobicContact CD2-CD1 4.24Å; L80-I586 HydrophobicContact CD2-CG1 4.33Å
81	A	92.9	Very high	88.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-37.7	178.1	0	0	0	0	0	112.1	I77 Y78 Y85 V114 Y117	I77-A81 PolarHBondContact O-N 3.4Å; I77-A81 VanDerWaalsContact O-N 3.09Å; Y78-A81 PolarHBondContact O-N 2.71Å; A81-Y85 WeakPolarHBondContact O-CB 3.28Å; A81-Y85 PolarHBondContact O-N 3.42Å; A81-V114 HydrophobicContact CB-CG1 4.49Å; A81-Y117 HydrophobicContact CB-CD1 3.39Å; A81-Y117 HydrophobicContact CB-CE1 3.97Å; A81-Y117 HydrophobicContact CB-CG 3.97Å
82	N	91.5	Very high	89.1	Confident	4 Å²	4	36 Å²	36	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-47.9	175.2	-165.2	39.7	0	0	0	111.9	Y65 R66 Y68 Y78 A79 L80 A84 Y85 Q86 Y117	Y65-N82 PolarHBondContact O-ND2 3.23Å; R66-N82 PolarHBondContact O-ND2 2.82Å; R66-N82 PolarHBondContact O-OD1 3.2Å; Y68-N82 PolarHBondContact O-ND2 3.01Å; Y78-N82 VanDerWaalsContact O-CB 3.26Å; Y78-N82 WeakPolarHBondContact O-CB 3.4Å; Y78-N82 PolarHBondContact O-N 2.72Å; A79-N82 PolarHBondContact O-N 3Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 2.91Å; N82-A84 PolarHBondContact O-N 2.66Å; N82-Y85 PolarHBondContact O-N 3.29Å; N82-Q86 PolarHBondContact ND2-NE2 2.97Å; N82-Q86 WeakPolarHBondContact O-CB 3.43Å; N82-Q86 WeakPolarHBondContact O-CG 3.34Å; N82-Q86 PolarHBondContact O-N 3.23Å; N82-Y117 HydrophobicContact CB-CE1 3.93Å; N82-Y117 VanDerWaalsContact CB-OH 3.29Å; N82-Y117 WeakPolarHBondContact CB-OH 3.41Å; N82-Y117 VanDerWaalsContact CG-OH 3.29Å; N82-Y117 PolarHBondContact OD1-OH 2.94Å; N82-Y117 VanDerWaalsContact OD1-OH 3.12Å
83	V	89.1	Confident	89.6	Confident	42 Å²	42	38.7 Å²	38.7	26%	0.255	17%	0.174	S	C	.	.	H	α-helix	trans	-64.1	-42.2	179.6	169.3	0	0	0	0	111.5	F70 A79 L80 S87	F70-V83 HydrophobicContact CD2-CB 4.44Å; F70-V83 HydrophobicContact CD2-CG2 3.69Å; F70-V83 HydrophobicContact CE2-CB 3.96Å; F70-V83 HydrophobicContact CE2-CG1 4.31Å; F70-V83 HydrophobicContact CE2-CG2 3.68Å; A79-V83 WeakPolarHBondContact O-CG2 3.43Å; A79-V83 PolarHBondContact O-N 3.37Å; L80-V83 PolarHBondContact O-N 2.9Å; V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.48Å; V83-S87 PolarHBondContact O-N 3.32Å
84	A	90.9	Very high	90	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-49.8	173.8	0	0	0	0	0	110.6	L80 N82 Q86 S87 L88 Q95 I97 M376	L80-A84 WeakPolarHBondContact O-CB 3.3Å; L80-A84 PolarHBondContact O-N 2.98Å; N82-A84 PolarHBondContact O-N 2.66Å; A84-Q86 PolarHBondContact O-N 2.98Å; A84-S87 PolarHBondContact O-N 3.32Å; A84-L88 PolarHBondContact O-N 3.48Å; A84-Q95 HydrophobicContact CB-CB 4.42Å; A84-Q95 HydrophobicContact CB-CG 4.28Å; A84-Q95 VanDerWaalsContact O-CG 3.28Å; A84-Q95 WeakPolarHBondContact O-CG 3.26Å; A84-I97 HydrophobicContact CB-CD1 4.14Å; A84-I97 HydrophobicContact CB-CG1 4.46Å; A84-M376 HydrophobicContact CB-CE 3.66Å
85	Y	89.8	Confident	90.2	Very high	15 Å²	15	35.4 Å²	35.4	6%	0.059	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-41.5	-179.8	-177.9	-102.6	0	0	0	113.7	A81 N82 S87 L88 R89 V118 I121 C122 F167 G171	A81-Y85 WeakPolarHBondContact O-CB 3.28Å; A81-Y85 PolarHBondContact O-N 3.42Å; N82-Y85 PolarHBondContact O-N 3.29Å; Y85-S87 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 3.17Å; Y85-L88 HydrophobicContact CD2-CD2 4.5Å; Y85-L88 WeakPolarHBondContact O-CB 3.47Å; Y85-L88 PolarHBondContact O-N 2.69Å; Y85-R89 WeakPolarHBondContact O-CB 3.42Å; Y85-R89 PolarHBondContact O-N 3.49Å; Y85-V118 HydrophobicContact CD2-CG1 4.28Å; Y85-I121 HydrophobicContact CD1-CD1 3.26Å; Y85-I121 HydrophobicContact CD1-CG1 4.09Å; Y85-I121 HydrophobicContact CD2-CD1 4.01Å; Y85-I121 HydrophobicContact CE1-CD1 3.7Å; Y85-I121 HydrophobicContact CE1-CG1 4.02Å; Y85-I121 HydrophobicContact CE2-CD1 4.4Å; Y85-I121 HydrophobicContact CG-CD1 3.4Å; Y85-I121 VanDerWaalsContact CG-CD1 3.4Å; Y85-I121 HydrophobicContact CG-CG1 4.31Å; Y85-C122 VanDerWaalsContact CE2-SG 3.56Å; Y85-F167 HydrophobicContact CE2-CE1 4.44Å; Y85-G171 PolarHBondContact OH-O 3.06Å
86	Q	88.6	Confident	90.2	Very high	52 Å²	52	35.3 Å²	35.3	24%	0.243	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-41.3	175	-74.4	-179.5	-7.1	0	0	111.4	N82 A84 L88 R89 D90	N82-Q86 PolarHBondContact ND2-NE2 2.97Å; N82-Q86 WeakPolarHBondContact O-CB 3.43Å; N82-Q86 WeakPolarHBondContact O-CG 3.34Å; N82-Q86 PolarHBondContact O-N 3.23Å; A84-Q86 PolarHBondContact O-N 2.98Å; Q86-L88 VanDerWaalsContact C-N 3.35Å; Q86-L88 PolarHBondContact O-N 3.26Å; Q86-R89 PolarHBondContact O-N 2.97Å; Q86-D90 VanDerWaalsContact O-CB 3.26Å; Q86-D90 WeakPolarHBondContact O-CB 3.34Å; Q86-D90 PolarHBondContact O-N 2.87Å
87	S	88.3	Confident	90.1	Very high	11 Å²	11	35.1 Å²	35.1	8%	0.077	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-40.8	175.6	-166.1	0	0	0	0	111.9	V83 A84 Y85 R91 D92 Q95	V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.48Å; V83-S87 PolarHBondContact O-N 3.32Å; A84-S87 PolarHBondContact O-N 3.32Å; Y85-S87 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 3.17Å; S87-R91 CarbonylContact O-C 3.54Å; S87-R91 WeakPolarHBondContact O-CA 3.34Å; S87-R91 VanDerWaalsContact O-CB 3.3Å; S87-R91 WeakPolarHBondContact O-CB 3.36Å; S87-R91 PolarHBondContact O-N 3.26Å; S87-R91 VanDerWaalsContact O-N 3.11Å; S87-D92 PolarHBondContact O-N 2.96Å; S87-Q95 PolarHBondContact OG-NE2 2.97Å
88	L	89.8	Confident	89.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-47.9	173.8	-173.8	107.2	0	0	0	112.1	A84 Y85 Q86 D92 R93 Q95 F167 K374 V375 M376	A84-L88 PolarHBondContact O-N 3.48Å; Y85-L88 HydrophobicContact CD2-CD2 4.5Å; Y85-L88 WeakPolarHBondContact O-CB 3.47Å; Y85-L88 PolarHBondContact O-N 2.69Å; Q86-L88 VanDerWaalsContact C-N 3.35Å; Q86-L88 PolarHBondContact O-N 3.26Å; L88-D92 WeakPolarHBondContact O-CA 3.28Å; L88-D92 PolarHBondContact O-N 3.47Å; L88-R93 WeakPolarHBondContact CA-O 3.35Å; L88-Q95 HydrophobicContact CB-CG 3.96Å; L88-Q95 HydrophobicContact CD1-CG 4.19Å; L88-F167 HydrophobicContact CD1-CD2 4.45Å; L88-F167 HydrophobicContact CD2-CB 4.15Å; L88-F167 HydrophobicContact CD2-CD1 4.31Å; L88-F167 HydrophobicContact CD2-CD2 3.6Å; L88-F167 HydrophobicContact CD2-CE2 4.08Å; L88-F167 HydrophobicContact CD2-CG 3.74Å; L88-K374 HydrophobicContact CD1-CB 3.95Å; L88-K374 HydrophobicContact CD2-CB 4.5Å; L88-K374 HydrophobicContact CG-CB 4.08Å; L88-K374 HydrophobicContact CG-CD 4.43Å; L88-K374 WeakPolarHBondContact O-CD 3.36Å; L88-K374 PolarHBondContact O-NZ 3.4Å; L88-V375 VanDerWaalsContact CD1-C 3.49Å; L88-V375 VanDerWaalsContact CD1-O 3.24Å; L88-V375 WeakPolarHBondContact CD1-O 3.38Å; L88-M376 HydrophobicContact CD1-CB 4.22Å
89	R	86.6	Confident	89.8	Confident	91 Å²	91	35 Å²	35	34%	0.343	16%	0.159	S	C	.	.	H	α-helix	trans	-73	-47.7	-174.7	-170.7	-170.7	67.5	-160.5	-8.8	112.5	Y85 Q86 K374	Y85-R89 WeakPolarHBondContact O-CB 3.42Å; Y85-R89 PolarHBondContact O-N 3.49Å; Q86-R89 PolarHBondContact O-N 2.97Å; R89-K374 PolarHBondContact O-NZ 3.27Å
90	D	85.2	Confident	89.6	Confident	100 Å²	100	35.1 Å²	35.1	54%	0.535	16%	0.159	S	C	.	.	H	α-helix	trans	-96.4	-21.6	-167	-55.8	-26.1	0	0	0	113	Q86	Q86-D90 VanDerWaalsContact O-CB 3.26Å; Q86-D90 WeakPolarHBondContact O-CB 3.34Å; Q86-D90 PolarHBondContact O-N 2.87Å
91	R	84.4	Confident	89.3	Confident	170 Å²	170	35.1 Å²	35.1	64%	0.642	16%	0.16	S	C	*	.	H	α-helix	trans	-117.5	2.7	-178.9	-52.6	-177.2	178.9	177.8	2.3	114	S87 R93	S87-R91 CarbonylContact O-C 3.54Å; S87-R91 WeakPolarHBondContact O-CA 3.34Å; S87-R91 VanDerWaalsContact O-CB 3.3Å; S87-R91 WeakPolarHBondContact O-CB 3.36Å; S87-R91 PolarHBondContact O-N 3.26Å; S87-R91 VanDerWaalsContact O-N 3.11Å; R91-R93 HydrophobicContact CB-CG 4.24Å; R91-R93 PolarHBondContact O-N 3.14Å; R91-R93 VanDerWaalsContact O-N 3.11Å
92	D	85.5	Confident	88.7	Confident	81 Å²	81	36.6 Å²	36.6	43%	0.433	17%	0.167	S	C	.	.			trans	52.4	32.2	-179.1	-54	-28.8	0	0	0	113.7	S87 L88 F169 K374	S87-D92 PolarHBondContact O-N 2.96Å; L88-D92 WeakPolarHBondContact O-CA 3.28Å; L88-D92 PolarHBondContact O-N 3.47Å; D92-F169 VanDerWaalsContact OD2-CE2 3.24Å; D92-F169 WeakPolarHBondContact OD2-CE2 3.21Å; D92-K374 WeakPolarHBondContact OD1-CE 3.34Å; D92-K374 IonicContact OD1-NZ 2.68Å; D92-K374 PolarHBondContact OD1-NZ 3.42Å
93	R	87.1	Confident	87.9	Confident	114 Å²	114	37.3 Å²	37.3	43%	0.43	17%	0.172	S	C	.	.			trans	-99.1	126.5	179.2	-70	-168.5	-178.8	-169.3	-1.8	110.6	L88 R91 Q95	L88-R93 WeakPolarHBondContact CA-O 3.35Å; R91-R93 HydrophobicContact CB-CG 4.24Å; R91-R93 PolarHBondContact O-N 3.14Å; R91-R93 VanDerWaalsContact O-N 3.11Å; R93-Q95 PolarHBondContact O-NE2 3.01Å
94	D	91.2	Very high	87.3	Confident	52 Å²	52	36 Å²	36	28%	0.278	17%	0.167	S	C	.	.			trans	-60.1	141.8	169.3	-66.2	-23.4	0	0	0	110.4	K374 V375 K581 N582	D94-K374 WeakPolarHBondContact OD1-CA 3.33Å; D94-V375 CarbonylContact C-O 3.58Å; D94-V375 VanDerWaalsContact CA-O 3.32Å; D94-V375 WeakPolarHBondContact CA-O 3.01Å; D94-V375 PolarHBondContact OD1-N 2.79Å; D94-K581 HydrophobicContact CB-CB 4.27Å; D94-K581 HydrophobicContact CB-CD 4.34Å; D94-K581 HydrophobicContact CB-CG 3.78Å; D94-N582 VanDerWaalsContact O-CB 3.31Å; D94-N582 WeakPolarHBondContact O-CB 3.43Å; D94-N582 PolarHBondContact O-N 3.33Å
95	Q	92.5	Very high	87	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.2	-176.1	-56.5	-60.6	-55.6	0	0	110.4	A84 S87 L88 R93 V375 M376 G377 N582 N584	A84-Q95 HydrophobicContact CB-CB 4.42Å; A84-Q95 HydrophobicContact CB-CG 4.28Å; A84-Q95 VanDerWaalsContact O-CG 3.28Å; A84-Q95 WeakPolarHBondContact O-CG 3.26Å; S87-Q95 PolarHBondContact OG-NE2 2.97Å; L88-Q95 HydrophobicContact CB-CG 3.96Å; L88-Q95 HydrophobicContact CD1-CG 4.19Å; R93-Q95 PolarHBondContact O-NE2 3.01Å; Q95-V375 PolarHBondContact N-O 3.15Å; Q95-M376 HydrophobicContact CB-CG 4.17Å; Q95-M376 CarbonylContact O-C 3.56Å; Q95-M376 WeakPolarHBondContact O-CA 3.18Å; Q95-G377 PolarHBondContact O-N 2.71Å; Q95-N582 CarbonylContact C-O 3.5Å; Q95-N582 WeakPolarHBondContact CA-O 3.43Å; Q95-N582 PolarHBondContact OE1-ND2 3.32Å; Q95-N584 PolarHBondContact OE1-ND2 2.99Å
96	C	91.6	Very high	86.9	Confident	1 Å²	1	36 Å²	36	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.7	168.7	-174.6	0	0	0	0	109.3	G377 L578 K581 N582 P583 N584	C96-G377 CarbonylContact C-O 3.53Å; C96-G377 WeakPolarHBondContact CA-O 3.33Å; C96-L578 HydrophobicContact CB-CD1 3.87Å; C96-L578 WeakPolarHBondContact SG-CD1 3.49Å; C96-K581 HydrophobicContact CB-CB 3.95Å; C96-K581 HydrophobicContact CB-CD 4.09Å; C96-N582 PolarHBondContact N-O 3.3Å; C96-P583 CarbonylContact O-C 3.49Å; C96-P583 VanDerWaalsContact O-CA 3.26Å; C96-P583 WeakPolarHBondContact O-CA 3.41Å; C96-N584 PolarHBondContact O-N 3.43Å
97	I	92.7	Very high	86.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.5	173	-63.1	174	0	0	0	107.9	L80 A84 I99 V114 M376 G377 V378 L379 N584 I586	L80-I97 HydrophobicContact CD2-CD1 3.69Å; L80-I97 HydrophobicContact CD2-CG1 3.95Å; L80-I97 HydrophobicContact CD2-CG2 3.99Å; A84-I97 HydrophobicContact CB-CD1 4.14Å; A84-I97 HydrophobicContact CB-CG1 4.46Å; I97-I99 HydrophobicContact CG2-CG1 4.2Å; I97-V114 HydrophobicContact CD1-CG1 3.41Å; I97-V114 VanDerWaalsContact CD1-CG1 3.41Å; I97-V114 HydrophobicContact CD1-CG2 4.4Å; I97-M376 HydrophobicContact CD1-CE 3.29Å; I97-M376 HydrophobicContact CG1-CE 4.29Å; I97-G377 PolarHBondContact N-O 2.99Å; I97-V378 WeakPolarHBondContact O-CA 3.45Å; I97-L379 PolarHBondContact O-N 2.89Å; I97-N584 CarbonylContact C-O 3.53Å; I97-N584 WeakPolarHBondContact CA-O 3.46Å; I97-N584 HydrophobicContact CG1-CB 4.11Å; I97-I586 HydrophobicContact CG2-CD1 3.66Å; I97-I586 HydrophobicContact CG2-CG1 4.12Å
98	L	90.8	Very high	86.4	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.2	179.5	-171.8	65.1	0	0	0	110.1	T100 L379 I381 L404 N584 Y585 I586	L98-T100 HydrophobicContact CD2-CG2 4.32Å; L98-T100 HydrophobicContact CG-CG2 4.06Å; L98-L379 HydrophobicContact CD1-CB 3.7Å; L98-L379 HydrophobicContact CD1-CD2 3.17Å; L98-L379 HydrophobicContact CD1-CG 3.7Å; L98-I381 HydrophobicContact CD1-CG2 4.45Å; L98-L404 HydrophobicContact CD1-CD1 4.46Å; L98-L404 HydrophobicContact CD1-CD2 4.25Å; L98-L404 HydrophobicContact CD2-CD2 4.17Å; L98-N584 PolarHBondContact N-O 3.23Å; L98-Y585 HydrophobicContact CB-CD1 3.81Å; L98-Y585 HydrophobicContact CB-CE1 4.02Å; L98-Y585 HydrophobicContact CD2-CD1 3.82Å; L98-Y585 HydrophobicContact CD2-CE1 3.61Å; L98-Y585 HydrophobicContact CG-CD1 4.28Å; L98-Y585 HydrophobicContact CG-CE1 4.4Å; L98-Y585 WeakPolarHBondContact O-CA 3.3Å; L98-I586 PolarHBondContact O-N 3.45Å
99	I	91.5	Very high	86.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.4	180	-49.5	-178.1	0	0	0	108.6	I97 K107 A110 V378 L379 I381 I586	I97-I99 HydrophobicContact CG2-CG1 4.2Å; I99-K107 HydrophobicContact CG2-CB 3.78Å; I99-K107 HydrophobicContact CG2-CD 4.47Å; I99-K107 HydrophobicContact CG2-CG 3.95Å; I99-A110 HydrophobicContact CD1-CB 4.18Å; I99-A110 HydrophobicContact CG2-CB 4.32Å; I99-V378 HydrophobicContact CD1-CG1 3.78Å; I99-V378 HydrophobicContact CG1-CG1 4.39Å; I99-L379 PolarHBondContact N-O 2.89Å; I99-I381 PolarHBondContact O-N 2.88Å; I99-I586 WeakPolarHBondContact CA-O 3.38Å; I99-I586 HydrophobicContact CD1-CD1 4.32Å; I99-I586 HydrophobicContact CG1-CB 4.24Å; I99-I586 HydrophobicContact CG1-CD1 4.17Å; I99-I586 HydrophobicContact CG2-CB 4.39Å; I99-I586 HydrophobicContact CG2-CG2 4.43Å
100	T	88.6	Confident	86.4	Confident	2 Å²	2	36 Å²	36	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	-177.9	61.9	0	0	0	0	111	L98 I381 I586 R587 C588	L98-T100 HydrophobicContact CD2-CG2 4.32Å; L98-T100 HydrophobicContact CG-CG2 4.06Å; T100-I381 HydrophobicContact CG2-CG2 4.15Å; T100-I586 PolarHBondContact N-O 2.96Å; T100-R587 WeakPolarHBondContact OG1-CD 3.42Å; T100-R587 PolarHBondContact OG1-NH1 3.42Å; T100-C588 PolarHBondContact O-N 3.47Å
101	G	86.8	Confident	86.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.01	15%	0.151	C	C	.	.			trans	159.2	164.6	178.8	0	0	0	0	0	112.1	K107 G383 C588	G101-K107 PolarHBondContact O-NZ 2.68Å; G101-G383 WeakPolarHBondContact O-CA 3.28Å; G101-G383 PolarHBondContact O-N 2.78Å; G101-C588 WeakPolarHBondContact CA-O 3.17Å
102	E	79.8	Confident	86.5	Confident	31 Å²	31	26 Å²	26	15%	0.145	13%	0.133	C	C	.	.	S	Bend	trans	-60	160.1	175.6	-162.4	179.6	174.1	0	0	110.6	G104 S105 K107 R152	E102-G104 PolarHBondContact O-N 3.2Å; E102-S105 VanDerWaalsContact O-CB 3.29Å; E102-S105 WeakPolarHBondContact O-CB 3.46Å; E102-S105 PolarHBondContact O-N 2.96Å; E102-S105 PolarHBondContact O-OG 3.46Å; E102-K107 PolarHBondContact O-NZ 3.4Å; E102-R152 WeakPolarHBondContact OE1-CD 3.03Å; E102-R152 IonicContact OE1-CZ 4Å; E102-R152 IonicContact OE1-NH1 3.73Å; E102-R152 PolarHBondContact OE1-NH1 3Å
103	S	75.4	Confident	86.7	Confident	19 Å²	19	23.2 Å²	23.2	13%	0.133	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	136.2	171.5	-166.4	0	0	0	0	111.7	S105 N153 S156	S103-S105 VanDerWaalsContact C-N 3.3Å; S103-S105 PolarHBondContact O-N 3.09Å; S103-N153 PolarHBondContact OG-ND2 3.17Å; S103-S156 WeakPolarHBondContact CB-OG 3.47Å; S103-S156 WeakPolarHBondContact OG-CA 3.43Å; S103-S156 WeakPolarHBondContact OG-CB 3.22Å; S103-S156 PolarHBondContact OG-OG 2.81Å
104	G	75.6	Confident	86.9	Confident	14 Å²	14	17.9 Å²	17.9	14%	0.144	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	1.4	-179.1	0	0	0	0	0	115.1	N49 Y51 E102 G106 N153	N49-G104 PolarHBondContact ND2-O 3.26Å; Y51-G104 PolarHBondContact OH-O 3.23Å; E102-G104 PolarHBondContact O-N 3.2Å; G104-G106 PolarHBondContact O-N 3.13Å; G104-N153 VanDerWaalsContact CA-ND2 3.34Å; G104-N153 WeakPolarHBondContact CA-ND2 3.41Å; G104-N153 PolarHBondContact N-ND2 3.3Å
105	S	85.9	Confident	86.5	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-75.9	-1.6	175.5	61.8	0	0	0	0	114.7	E102 S103 C588	E102-S105 VanDerWaalsContact O-CB 3.29Å; E102-S105 WeakPolarHBondContact O-CB 3.46Å; E102-S105 PolarHBondContact O-N 2.96Å; E102-S105 PolarHBondContact O-OG 3.46Å; S103-S105 VanDerWaalsContact C-N 3.3Å; S103-S105 PolarHBondContact O-N 3.09Å; S105-C588 WeakPolarHBondContact O-CB 3.5Å; S105-C588 VanDerWaalsContact OG-CB 3.28Å; S105-C588 WeakPolarHBondContact OG-CB 3.19Å
106	G	86.6	Confident	86	Confident	16 Å²	16	18 Å²	18	17%	0.165	10%	0.102	C	C	.	.	S	Bend	trans	93.3	17.9	178.2	0	0	0	0	0	115.7	G104 T108 E109 A110	G104-G106 PolarHBondContact O-N 3.13Å; G106-T108 PolarHBondContact O-N 3.34Å; G106-E109 PolarHBondContact O-N 3.16Å; G106-A110 PolarHBondContact O-N 3.18Å
107	K	86.6	Confident	85.9	Confident	19 Å²	19	18 Å²	18	8%	0.083	10%	0.102	C	C	.	.	H	α-helix	trans	-53.6	-48.8	178.1	-61	-168.5	-66.5	-73.9	0	113.5	I99 G101 E102 E109 A110 S111 D380 I381 C588	I99-K107 HydrophobicContact CG2-CB 3.78Å; I99-K107 HydrophobicContact CG2-CD 4.47Å; I99-K107 HydrophobicContact CG2-CG 3.95Å; G101-K107 PolarHBondContact O-NZ 2.68Å; E102-K107 PolarHBondContact O-NZ 3.4Å; K107-E109 VanDerWaalsContact C-N 3.31Å; K107-E109 PolarHBondContact O-N 2.8Å; K107-A110 WeakPolarHBondContact O-CB 3.29Å; K107-A110 PolarHBondContact O-N 2.77Å; K107-A110 VanDerWaalsContact O-N 3.16Å; K107-S111 PolarHBondContact O-N 3.36Å; K107-D380 WeakPolarHBondContact CB-OD1 3.24Å; K107-D380 WeakPolarHBondContact CD-OD1 3.42Å; K107-D380 VanDerWaalsContact CE-OD1 3.27Å; K107-D380 WeakPolarHBondContact CE-OD1 3.26Å; K107-I381 WeakPolarHBondContact CD-O 3.48Å; K107-I381 WeakPolarHBondContact CE-O 3.43Å; K107-C588 HydrophobicContact CG-CB 4.01Å
108	T	80.8	Confident	85.5	Confident	28 Å²	28	18.1 Å²	18.1	17%	0.172	10%	0.102	C	C	.	.	H	α-helix	trans	-62.7	-38.8	-179.9	-47.9	0	0	0	0	111.5	G106 S111 K112	G106-T108 PolarHBondContact O-N 3.34Å; T108-S111 WeakPolarHBondContact O-CB 3.36Å; T108-S111 PolarHBondContact O-N 3.29Å; T108-K112 WeakPolarHBondContact O-CG 3.49Å; T108-K112 PolarHBondContact O-N 3.24Å
109	E	85.6	Confident	84.9	Confident	103 Å²	103	19.1 Å²	19.1	48%	0.481	11%	0.111	S	C	.	.	H	α-helix	trans	-68.4	-40.2	174.5	-67.5	-55.2	125.2	0	0	111.8	G106 K107 S111 K112 L113	G106-E109 PolarHBondContact O-N 3.16Å; K107-E109 VanDerWaalsContact C-N 3.31Å; K107-E109 PolarHBondContact O-N 2.8Å; E109-S111 VanDerWaalsContact C-N 3.33Å; E109-S111 PolarHBondContact O-N 2.99Å; E109-K112 PolarHBondContact O-N 2.95Å; E109-K112 WeakPolarHBondContact OE1-CD 3.42Å; E109-K112 IonicContact OE1-NZ 2.88Å; E109-K112 PolarHBondContact OE1-NZ 3.5Å; E109-L113 WeakPolarHBondContact O-CB 3.25Å; E109-L113 VanDerWaalsContact O-CG 3.25Å; E109-L113 WeakPolarHBondContact O-CG 3.31Å; E109-L113 PolarHBondContact O-N 2.71Å
110	A	91.2	Very high	84.5	Confident	2 Å²	2	21.6 Å²	21.6	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-42.8	173.1	0	0	0	0	0	111.8	I77 I99 G106 K107 L113 V114 I586	I77-A110 HydrophobicContact CD1-CB 3.74Å; I99-A110 HydrophobicContact CD1-CB 4.18Å; I99-A110 HydrophobicContact CG2-CB 4.32Å; G106-A110 PolarHBondContact O-N 3.18Å; K107-A110 WeakPolarHBondContact O-CB 3.29Å; K107-A110 PolarHBondContact O-N 2.77Å; K107-A110 VanDerWaalsContact O-N 3.16Å; A110-L113 PolarHBondContact O-N 3.31Å; A110-V114 WeakPolarHBondContact O-CG2 3.3Å; A110-V114 PolarHBondContact O-N 3.33Å; A110-I586 HydrophobicContact CB-CG2 4.3Å
111	S	87.1	Confident	84.2	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-48.9	174.3	-171.8	0	0	0	0	111.3	K107 T108 E109 L113 V114 M115 M163 V378	K107-S111 PolarHBondContact O-N 3.36Å; T108-S111 WeakPolarHBondContact O-CB 3.36Å; T108-S111 PolarHBondContact O-N 3.29Å; E109-S111 VanDerWaalsContact C-N 3.33Å; E109-S111 PolarHBondContact O-N 2.99Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.08Å; S111-V114 PolarHBondContact O-N 2.83Å; S111-M115 WeakPolarHBondContact O-CB 3.49Å; S111-M115 WeakPolarHBondContact O-CE 3.27Å; S111-M115 WeakPolarHBondContact O-CG 3.44Å; S111-M115 PolarHBondContact O-N 3.44Å; S111-M115 WeakPolarHBondContact OG-CE 3.48Å; S111-M163 WeakPolarHBondContact OG-CE 3.31Å; S111-V378 WeakPolarHBondContact OG-CG1 3.28Å
112	K	83.7	Confident	83.7	Confident	59 Å²	59	23 Å²	23	26%	0.257	14%	0.139	S	C	.	.	H	α-helix	trans	-58.2	-43.1	175.6	-72.8	171.5	-173	166.4	0	112.3	T108 E109 M115 S116 E143	T108-K112 WeakPolarHBondContact O-CG 3.49Å; T108-K112 PolarHBondContact O-N 3.24Å; E109-K112 PolarHBondContact O-N 2.95Å; E109-K112 WeakPolarHBondContact OE1-CD 3.42Å; E109-K112 IonicContact OE1-NZ 2.88Å; E109-K112 PolarHBondContact OE1-NZ 3.5Å; K112-M115 PolarHBondContact O-N 3.03Å; K112-S116 WeakPolarHBondContact O-CB 3.37Å; K112-S116 PolarHBondContact O-N 2.83Å; K112-S116 PolarHBondContact O-OG 2.93Å; K112-E143 IonicContact NZ-OE1 2.67Å
113	L	89.9	Confident	82.9	Confident	24 Å²	24	23.5 Å²	23.5	13%	0.126	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-43.2	-179.9	-73.2	169.8	0	0	0	112.4	Y57 I77 Y78 E109 A110 S111 S116 Y117	Y57-L113 HydrophobicContact CD1-CD1 3.99Å; Y57-L113 HydrophobicContact CD1-CD2 3.53Å; Y57-L113 HydrophobicContact CD1-CG 4.39Å; Y57-L113 HydrophobicContact CD2-CD2 4.25Å; Y57-L113 HydrophobicContact CE1-CD1 3.49Å; Y57-L113 VanDerWaalsContact CE1-CD1 3.49Å; Y57-L113 HydrophobicContact CE1-CD2 3.95Å; Y57-L113 HydrophobicContact CE1-CG 4.35Å; Y57-L113 HydrophobicContact CE2-CD1 4.36Å; Y57-L113 HydrophobicContact CG-CD2 3.68Å; I77-L113 HydrophobicContact CD1-CB 4.37Å; I77-L113 HydrophobicContact CG2-CB 4.42Å; I77-L113 HydrophobicContact CG2-CD1 4.4Å; Y78-L113 HydrophobicContact CE1-CB 4.38Å; E109-L113 WeakPolarHBondContact O-CB 3.25Å; E109-L113 VanDerWaalsContact O-CG 3.25Å; E109-L113 WeakPolarHBondContact O-CG 3.31Å; E109-L113 PolarHBondContact O-N 2.71Å; A110-L113 PolarHBondContact O-N 3.31Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.08Å; L113-S116 PolarHBondContact O-N 2.84Å; L113-Y117 WeakPolarHBondContact O-CB 3.28Å; L113-Y117 PolarHBondContact O-N 3.2Å
114	V	90.3	Very high	82.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-50.3	174.7	167.2	0	0	0	0	110.3	I77 A81 I97 A110 S111 S116 Y117 V118 M376 V378 I586	I77-V114 HydrophobicContact CD1-CG2 3.94Å; I77-V114 HydrophobicContact CG1-CG2 3.95Å; A81-V114 HydrophobicContact CB-CG1 4.49Å; I97-V114 HydrophobicContact CD1-CG1 3.41Å; I97-V114 VanDerWaalsContact CD1-CG1 3.41Å; I97-V114 HydrophobicContact CD1-CG2 4.4Å; A110-V114 WeakPolarHBondContact O-CG2 3.3Å; A110-V114 PolarHBondContact O-N 3.33Å; S111-V114 PolarHBondContact O-N 2.83Å; V114-S116 VanDerWaalsContact C-N 3.34Å; V114-S116 PolarHBondContact O-N 2.83Å; V114-Y117 PolarHBondContact O-N 2.88Å; V114-V118 WeakPolarHBondContact O-CG2 3.4Å; V114-V118 PolarHBondContact O-N 2.73Å; V114-M376 HydrophobicContact CG1-CE 4.23Å; V114-V378 HydrophobicContact CG1-CG2 4.11Å; V114-I586 HydrophobicContact CG2-CD1 3.83Å
115	M	82.6	Confident	81.3	Confident	9 Å²	9	33.3 Å²	33.3	4%	0.044	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-42.6	178.5	-70.2	-172	-74.7	0	0	111.8	S111 K112 Y117 V118 A119 M163 I165	S111-M115 WeakPolarHBondContact O-CB 3.49Å; S111-M115 WeakPolarHBondContact O-CE 3.27Å; S111-M115 WeakPolarHBondContact O-CG 3.44Å; S111-M115 PolarHBondContact O-N 3.44Å; S111-M115 WeakPolarHBondContact OG-CE 3.48Å; K112-M115 PolarHBondContact O-N 3.03Å; M115-Y117 VanDerWaalsContact C-N 3.34Å; M115-Y117 PolarHBondContact O-N 3.04Å; M115-V118 PolarHBondContact O-N 3.33Å; M115-A119 WeakPolarHBondContact O-CB 3.4Å; M115-A119 PolarHBondContact O-N 3.49Å; M115-M163 HydrophobicContact CE-CE 3.43Å; M115-M163 VanDerWaalsContact CE-CE 3.43Å; M115-M163 HydrophobicContact CE-SD 4.33Å; M115-M163 HydrophobicContact SD-CE 3.47Å; M115-M163 WeakPolarHBondContact SD-CE 3.26Å; M115-M163 HydrophobicContact SD-SD 4.12Å; M115-I165 HydrophobicContact CG-CD1 4.18Å
116	S	83.1	Confident	80.1	Confident	46 Å²	46	41.8 Å²	41.8	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-38.6	178.2	-61.8	0	0	0	0	112.3	K112 L113 V114 A120	K112-S116 WeakPolarHBondContact O-CB 3.37Å; K112-S116 PolarHBondContact O-N 2.83Å; K112-S116 PolarHBondContact O-OG 2.93Å; L113-S116 PolarHBondContact O-N 2.84Å; V114-S116 VanDerWaalsContact C-N 3.34Å; V114-S116 PolarHBondContact O-N 2.83Å; S116-A120 VanDerWaalsContact O-CB 3.3Å; S116-A120 WeakPolarHBondContact O-CB 3.5Å; S116-A120 PolarHBondContact O-N 2.84Å
117	Y	88.3	Confident	78.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-53.3	175.6	-179.3	-93.6	0	0	0	111.3	I62 R66 Y78 A81 N82 L113 V114 M115 A119 A120 I121	I62-Y117 HydrophobicContact CB-CD2 4.36Å; I62-Y117 HydrophobicContact CB-CE2 4.4Å; I62-Y117 HydrophobicContact CG1-CD2 4.17Å; I62-Y117 HydrophobicContact CG2-CD2 3.92Å; I62-Y117 HydrophobicContact CG2-CE2 3.87Å; R66-Y117 WeakPolarHBondContact CA-OH 3.31Å; Y78-Y117 AromaticContact CD1-CD2 3.46Å; Y78-Y117 HydrophobicContact CD1-CD2 3.46Å; Y78-Y117 VanDerWaalsContact CD1-CD2 3.46Å; Y78-Y117 HydrophobicContact CD1-CE2 4.37Å; Y78-Y117 AromaticContact CD1-CG 3.76Å; Y78-Y117 HydrophobicContact CD1-CG 3.76Å; Y78-Y117 AromaticContact CD2-CD2 3.83Å; Y78-Y117 HydrophobicContact CD2-CD2 3.83Å; Y78-Y117 HydrophobicContact CD2-CE2 4.24Å; Y78-Y117 HydrophobicContact CE1-CD2 4Å; Y78-Y117 HydrophobicContact CE1-CG 4.26Å; Y78-Y117 HydrophobicContact CE2-CD2 4.33Å; Y78-Y117 AromaticContact CG-CD2 3.37Å; Y78-Y117 HydrophobicContact CG-CD2 3.37Å; Y78-Y117 AromaticContact CG-CE2 3.87Å; Y78-Y117 HydrophobicContact CG-CE2 3.87Å; Y78-Y117 HydrophobicContact CG-CG 4.11Å; A81-Y117 HydrophobicContact CB-CD1 3.39Å; A81-Y117 HydrophobicContact CB-CE1 3.97Å; A81-Y117 HydrophobicContact CB-CG 3.97Å; N82-Y117 HydrophobicContact CB-CE1 3.93Å; N82-Y117 VanDerWaalsContact CB-OH 3.29Å; N82-Y117 WeakPolarHBondContact CB-OH 3.41Å; N82-Y117 VanDerWaalsContact CG-OH 3.29Å; N82-Y117 PolarHBondContact OD1-OH 2.94Å; N82-Y117 VanDerWaalsContact OD1-OH 3.12Å; L113-Y117 WeakPolarHBondContact O-CB 3.28Å; L113-Y117 PolarHBondContact O-N 3.2Å; V114-Y117 PolarHBondContact O-N 2.88Å; M115-Y117 VanDerWaalsContact C-N 3.34Å; M115-Y117 PolarHBondContact O-N 3.04Å; Y117-A119 VanDerWaalsContact C-N 3.27Å; Y117-A119 PolarHBondContact O-N 2.93Å; Y117-A120 PolarHBondContact O-N 2.86Å; Y117-I121 HydrophobicContact CD1-CD1 3.9Å; Y117-I121 HydrophobicContact CE1-CD1 3.52Å; Y117-I121 HydrophobicContact CE1-CG2 4.16Å; Y117-I121 HydrophobicContact CE2-CG2 4.31Å; Y117-I121 WeakPolarHBondContact O-CG1 3.37Å; Y117-I121 PolarHBondContact O-N 3.5Å; Y117-I121 VanDerWaalsContact O-N 3.09Å
118	V	84.5	Confident	77.9	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-46.4	177.6	175.6	0	0	0	0	109.9	Y85 V114 M115 A120 I121 C122 F167 M376	Y85-V118 HydrophobicContact CD2-CG1 4.28Å; V114-V118 WeakPolarHBondContact O-CG2 3.4Å; V114-V118 PolarHBondContact O-N 2.73Å; M115-V118 PolarHBondContact O-N 3.33Å; V118-A120 PolarHBondContact O-N 3.44Å; V118-I121 WeakPolarHBondContact O-CG1 3.48Å; V118-I121 PolarHBondContact O-N 2.68Å; V118-C122 WeakPolarHBondContact O-CB 3.34Å; V118-C122 PolarHBondContact O-N 2.53Å; V118-C122 PolarHBondContact O-SG 2.62Å; V118-F167 HydrophobicContact CG1-CE1 4.05Å; V118-F167 HydrophobicContact CG1-CZ 3.66Å; V118-M376 HydrophobicContact CG1-SD 4.3Å; V118-M376 HydrophobicContact CG2-CE 3.56Å; V118-M376 HydrophobicContact CG2-SD 3.63Å
119	A	79.1	Confident	77.2	Confident	24 Å²	24	51.6 Å²	51.6	20%	0.198	28%	0.281	C	S	.	.	H	α-helix	trans	-71.4	-10.9	179.9	0	0	0	0	0	114.8	M115 Y117 K132	M115-A119 WeakPolarHBondContact O-CB 3.4Å; M115-A119 PolarHBondContact O-N 3.49Å; Y117-A119 VanDerWaalsContact C-N 3.27Å; Y117-A119 PolarHBondContact O-N 2.93Å; A119-K132 HydrophobicContact CB-CD 3.61Å; A119-K132 HydrophobicContact CB-CG 3.75Å; A119-K132 PolarHBondContact O-NZ 3.44Å
120	A	82.7	Confident	76.5	Confident	51 Å²	51	49.6 Å²	49.6	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-93.1	-28.8	173.4	0	0	0	0	0	112.5	I62 S116 Y117 V118	I62-A120 HydrophobicContact CD1-CB 3.81Å; I62-A120 HydrophobicContact CG2-CB 4.04Å; S116-A120 VanDerWaalsContact O-CB 3.3Å; S116-A120 WeakPolarHBondContact O-CB 3.5Å; S116-A120 PolarHBondContact O-N 2.84Å; Y117-A120 PolarHBondContact O-N 2.86Å; V118-A120 PolarHBondContact O-N 3.44Å
121	I	82.6	Confident	75.5	Confident	23 Å²	23	50.3 Å²	50.3	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-90.7	-23.2	179.1	65.4	179.4	0	0	0	113.2	I62 Y85 Y117 V118	I62-I121 HydrophobicContact CG2-CG2 3.99Å; Y85-I121 HydrophobicContact CD1-CD1 3.26Å; Y85-I121 HydrophobicContact CD1-CG1 4.09Å; Y85-I121 HydrophobicContact CD2-CD1 4.01Å; Y85-I121 HydrophobicContact CE1-CD1 3.7Å; Y85-I121 HydrophobicContact CE1-CG1 4.02Å; Y85-I121 HydrophobicContact CE2-CD1 4.4Å; Y85-I121 HydrophobicContact CG-CD1 3.4Å; Y85-I121 VanDerWaalsContact CG-CD1 3.4Å; Y85-I121 HydrophobicContact CG-CG1 4.31Å; Y117-I121 HydrophobicContact CD1-CD1 3.9Å; Y117-I121 HydrophobicContact CE1-CD1 3.52Å; Y117-I121 HydrophobicContact CE1-CG2 4.16Å; Y117-I121 HydrophobicContact CE2-CG2 4.31Å; Y117-I121 WeakPolarHBondContact O-CG1 3.37Å; Y117-I121 PolarHBondContact O-N 3.5Å; Y117-I121 VanDerWaalsContact O-N 3.09Å; V118-I121 WeakPolarHBondContact O-CG1 3.48Å; V118-I121 PolarHBondContact O-N 2.68Å
122	C	75.3	Confident	74.6	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.061	30%	0.296	C	S	.	.	S	Bend	trans	-63.9	150.9	172.2	-71.3	0	0	0	0	111.2	Y85 V118 P173	Y85-C122 VanDerWaalsContact CE2-SG 3.56Å; V118-C122 WeakPolarHBondContact O-CB 3.34Å; V118-C122 PolarHBondContact O-N 2.53Å; V118-C122 PolarHBondContact O-SG 2.62Å; C122-P173 HydrophobicContact CB-CG 4.34Å
123	G	64.9	Low	74.2	Confident	42 Å²	42	55.7 Å²	55.7	43%	0.433	31%	0.308	S	S	.	.			trans	-55.6	149.6	-177.6	0	0	0	0	0	113.2	V128	G123-V128 WeakPolarHBondContact O-CG1 3.49Å
124	K	59.9	Low	73.6	Confident	208 Å²	208	56.2 Å²	56.2	90%	0.904	31%	0.309	S	S	*	.			trans	-84.3	114.1	177.2	-64.8	-173.9	178.1	-175.5	0	109.9
125	G	57.4	Low	72.9	Confident	31 Å²	31	56.7 Å²	56.7	32%	0.32	31%	0.312	S	S	.	.			trans	-150.2	153	170.9	0	0	0	0	0	110.5	Q127 V128 N129	G125-Q127 PolarHBondContact O-N 2.86Å; G125-V128 WeakPolarHBondContact O-CB 3.26Å; G125-V128 PolarHBondContact O-N 3Å; G125-N129 PolarHBondContact O-N 3Å; G125-N129 PolarHBondContact O-ND2 3.49Å
126	E	60.8	Low	72.7	Confident	179 Å²	179	58.9 Å²	58.9	84%	0.836	32%	0.324	S	S	*	.	H	α-helix	trans	-61.9	-42.7	-177.8	-72.8	-175.8	159.6	0	0	112.4	V128 N129 S130	E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.15Å; E126-N129 PolarHBondContact O-N 2.86Å; E126-S130 PolarHBondContact O-N 2.85Å
127	Q	61	Low	72.6	Confident	172 Å²	172	59.8 Å²	59.8	80%	0.804	32%	0.322	S	S	*	.	H	α-helix	trans	-61.7	-41.4	175.6	-71	177	-17.3	0	0	112.1	G125 N129 S130 V131	G125-Q127 PolarHBondContact O-N 2.86Å; Q127-N129 VanDerWaalsContact C-N 3.35Å; Q127-N129 PolarHBondContact O-N 2.96Å; Q127-S130 PolarHBondContact O-N 3.35Å; Q127-V131 WeakPolarHBondContact O-CG2 3.42Å; Q127-V131 PolarHBondContact O-N 3.3Å; Q127-V131 VanDerWaalsContact O-N 3.15Å
128	V	64.6	Low	72.6	Confident	19 Å²	19	59.8 Å²	59.8	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-40.7	176.5	166.2	0	0	0	0	111.4	G123 G125 E126 K132 P173	G123-V128 WeakPolarHBondContact O-CG1 3.49Å; G125-V128 WeakPolarHBondContact O-CB 3.26Å; G125-V128 PolarHBondContact O-N 3Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.15Å; V128-K132 VanDerWaalsContact O-CB 3.24Å; V128-K132 WeakPolarHBondContact O-CB 3.5Å; V128-K132 PolarHBondContact O-N 2.9Å; V128-K132 VanDerWaalsContact O-N 3.08Å; V128-P173 HydrophobicContact CB-CG 3.95Å; V128-P173 HydrophobicContact CG1-CG 3.3Å; V128-P173 HydrophobicContact CG2-CG 3.83Å
129	N	66.8	Low	72.6	Confident	78 Å²	78	59.8 Å²	59.8	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-37.5	178.4	-73.3	-25.2	0	0	0	112.3	G125 E126 Q127 K132 E133	G125-N129 PolarHBondContact O-N 3Å; G125-N129 PolarHBondContact O-ND2 3.49Å; E126-N129 PolarHBondContact O-N 2.86Å; Q127-N129 VanDerWaalsContact C-N 3.35Å; Q127-N129 PolarHBondContact O-N 2.96Å; N129-K132 WeakPolarHBondContact O-CB 3.38Å; N129-K132 PolarHBondContact O-N 3.2Å; N129-E133 WeakPolarHBondContact O-CB 3.33Å; N129-E133 PolarHBondContact O-N 2.95Å
130	S	70.4	Confident	73.1	Confident	61 Å²	61	60.7 Å²	60.7	43%	0.427	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-50.5	176.6	-173	0	0	0	0	111.7	E126 Q127 K132 E133 Q134	E126-S130 PolarHBondContact O-N 2.85Å; Q127-S130 PolarHBondContact O-N 3.35Å; S130-K132 VanDerWaalsContact C-N 3.31Å; S130-K132 PolarHBondContact O-N 2.91Å; S130-E133 PolarHBondContact O-N 3.29Å; S130-Q134 WeakPolarHBondContact O-CG 3.12Å; S130-Q134 PolarHBondContact O-N 3.35Å
131	V	70	Confident	73.6	Confident	17 Å²	17	58.2 Å²	58.2	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-41.7	178.2	171.4	0	0	0	0	111	Q127 E133 Q134 L135	Q127-V131 WeakPolarHBondContact O-CG2 3.42Å; Q127-V131 PolarHBondContact O-N 3.3Å; Q127-V131 VanDerWaalsContact O-N 3.15Å; V131-E133 PolarHBondContact O-N 3.14Å; V131-Q134 PolarHBondContact O-N 3.01Å; V131-L135 HydrophobicContact CG1-CD1 3.96Å; V131-L135 WeakPolarHBondContact O-CB 3.36Å; V131-L135 WeakPolarHBondContact O-CG 3.29Å; V131-L135 PolarHBondContact O-N 3.46Å
132	K	68.5	Low	74.1	Confident	65 Å²	65	57.2 Å²	57.2	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-47.8	175.6	172	-172.3	-175.9	164.1	0	111.6	A119 V128 N129 S130 L136	A119-K132 HydrophobicContact CB-CD 3.61Å; A119-K132 HydrophobicContact CB-CG 3.75Å; A119-K132 PolarHBondContact O-NZ 3.44Å; V128-K132 VanDerWaalsContact O-CB 3.24Å; V128-K132 WeakPolarHBondContact O-CB 3.5Å; V128-K132 PolarHBondContact O-N 2.9Å; V128-K132 VanDerWaalsContact O-N 3.08Å; N129-K132 WeakPolarHBondContact O-CB 3.38Å; N129-K132 PolarHBondContact O-N 3.2Å; S130-K132 VanDerWaalsContact C-N 3.31Å; S130-K132 PolarHBondContact O-N 2.91Å; K132-L136 HydrophobicContact CG-CD1 4.09Å; K132-L136 VanDerWaalsContact O-CG 3.32Å; K132-L136 WeakPolarHBondContact O-CG 3.41Å; K132-L136 PolarHBondContact O-N 3.06Å; K132-L136 VanDerWaalsContact O-N 3.12Å
133	E	75.9	Confident	74.7	Confident	108 Å²	108	58.3 Å²	58.3	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-67.3	-44.4	-178.2	-170.4	159.2	-157.2	0	0	110.9	N129 S130 V131 L135 L136 Q137	N129-E133 WeakPolarHBondContact O-CB 3.33Å; N129-E133 PolarHBondContact O-N 2.95Å; S130-E133 PolarHBondContact O-N 3.29Å; V131-E133 PolarHBondContact O-N 3.14Å; E133-L135 PolarHBondContact O-N 2.77Å; E133-L136 PolarHBondContact O-N 3.45Å; E133-Q137 HydrophobicContact CG-CG 4.05Å; E133-Q137 WeakPolarHBondContact O-CB 3.46Å; E133-Q137 WeakPolarHBondContact O-CG 3.34Å; E133-Q137 PolarHBondContact O-N 3.01Å
134	Q	77.6	Confident	76.1	Confident	34 Å²	34	56.3 Å²	56.3	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-44.5	176.3	-71.6	172.1	-34.9	0	0	112.8	S130 V131 L136 Q137 S138 I365	S130-Q134 WeakPolarHBondContact O-CG 3.12Å; S130-Q134 PolarHBondContact O-N 3.35Å; V131-Q134 PolarHBondContact O-N 3.01Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; Q134-L136 PolarHBondContact O-N 2.79Å; Q134-Q137 PolarHBondContact O-N 2.89Å; Q134-S138 PolarHBondContact O-N 3.27Å; Q134-I365 HydrophobicContact CB-CG2 3.83Å
135	L	74.8	Confident	77.8	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-41.3	176.5	-76.4	169.6	0	0	0	111.9	V131 E133 S138 I165 I365	V131-L135 HydrophobicContact CG1-CD1 3.96Å; V131-L135 WeakPolarHBondContact O-CB 3.36Å; V131-L135 WeakPolarHBondContact O-CG 3.29Å; V131-L135 PolarHBondContact O-N 3.46Å; E133-L135 PolarHBondContact O-N 2.77Å; L135-S138 PolarHBondContact O-OG 3.47Å; L135-I165 HydrophobicContact CD1-CG1 4.24Å; L135-I365 HydrophobicContact CD2-CD1 3.72Å
136	L	77.9	Confident	79.4	Confident	55 Å²	55	45 Å²	45	29%	0.288	23%	0.226	S	C	.	.	H	α-helix	trans	-69.7	-41.4	178.3	-71.3	172.4	0	0	0	112	K132 E133 Q134 S138 N139	K132-L136 HydrophobicContact CG-CD1 4.09Å; K132-L136 VanDerWaalsContact O-CG 3.32Å; K132-L136 WeakPolarHBondContact O-CG 3.41Å; K132-L136 PolarHBondContact O-N 3.06Å; K132-L136 VanDerWaalsContact O-N 3.12Å; E133-L136 PolarHBondContact O-N 3.45Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; Q134-L136 PolarHBondContact O-N 2.79Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 2.82Å; L136-N139 PolarHBondContact O-N 3.22Å; L136-N139 PolarHBondContact O-ND2 2.92Å
137	Q	82.8	Confident	80.8	Confident	64 Å²	64	36.5 Å²	36.5	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-72.5	-17.5	179	-64.8	-61.7	-17.8	0	0	113.2	E133 Q134 N139 P140 A250 V253 I254	E133-Q137 HydrophobicContact CG-CG 4.05Å; E133-Q137 WeakPolarHBondContact O-CB 3.46Å; E133-Q137 WeakPolarHBondContact O-CG 3.34Å; E133-Q137 PolarHBondContact O-N 3.01Å; Q134-Q137 PolarHBondContact O-N 2.89Å; Q137-N139 PolarHBondContact O-N 2.78Å; Q137-P140 WeakPolarHBondContact O-CD 3.44Å; Q137-A250 WeakPolarHBondContact O-CB 3.47Å; Q137-V253 HydrophobicContact CB-CG1 4.43Å; Q137-V253 HydrophobicContact CG-CG1 4Å; Q137-I254 HydrophobicContact CB-CG1 4.32Å
138	S	86.5	Confident	82.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-26.7	172.2	75.6	0	0	0	0	113.5	Q134 L135 L136 V141 L142 I178	Q134-S138 PolarHBondContact O-N 3.27Å; L135-S138 PolarHBondContact O-OG 3.47Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 2.82Å; S138-V141 PolarHBondContact O-N 2.84Å; S138-L142 WeakPolarHBondContact O-CG 3.36Å; S138-L142 PolarHBondContact O-N 3.05Å; S138-L142 VanDerWaalsContact O-N 3.09Å; S138-I178 WeakPolarHBondContact OG-CD1 3.44Å
139	N	85.3	Confident	83	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-50.9	-174.4	-67.4	-65.5	0	0	0	113.6	L136 Q137 V141 L142 E143 K161	L136-N139 PolarHBondContact O-N 3.22Å; L136-N139 PolarHBondContact O-ND2 2.92Å; Q137-N139 PolarHBondContact O-N 2.78Å; N139-V141 PolarHBondContact O-N 3.11Å; N139-L142 PolarHBondContact O-N 3.13Å; N139-L142 VanDerWaalsContact O-N 3.15Å; N139-E143 WeakPolarHBondContact O-CB 3.41Å; N139-E143 VanDerWaalsContact O-CG 3.29Å; N139-E143 WeakPolarHBondContact O-CG 3.27Å; N139-E143 PolarHBondContact O-N 3.24Å; N139-K161 PolarHBondContact OD1-NZ 3.47Å
140	P	90.3	Very high	83.5	Confident	42 Å²	42	25.6 Å²	25.6	27%	0.273	13%	0.132	S	C	.	.	H	α-helix	trans	-48.3	-42.4	174.4	-30.4	31.2	0	0	0	114.4	Q137 A144 A250	Q137-P140 WeakPolarHBondContact O-CD 3.44Å; P140-A144 WeakPolarHBondContact O-CB 3.19Å; P140-A144 PolarHBondContact O-N 3.41Å; P140-A250 HydrophobicContact CB-CB 4.09Å; P140-A250 HydrophobicContact CG-CB 4.37Å
141	V	93.3	Very high	83.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-49.5	179.5	-179.7	0	0	0	0	110.7	S138 N139 E143 A144 F145 A250 M251 I254 I357 I361	S138-V141 PolarHBondContact O-N 2.84Å; N139-V141 PolarHBondContact O-N 3.11Å; V141-E143 VanDerWaalsContact C-N 3.31Å; V141-E143 PolarHBondContact O-N 3.02Å; V141-A144 PolarHBondContact O-N 3.36Å; V141-F145 HydrophobicContact CG1-CD2 4.44Å; V141-F145 WeakPolarHBondContact O-CD2 3.48Å; V141-F145 PolarHBondContact O-N 3.11Å; V141-A250 HydrophobicContact CG2-CB 3.89Å; V141-M251 HydrophobicContact CG1-CE 3.67Å; V141-M251 HydrophobicContact CG1-CG 4.31Å; V141-M251 HydrophobicContact CG2-CG 3.69Å; V141-I254 HydrophobicContact CG2-CD1 3.95Å; V141-I357 HydrophobicContact CG1-CG2 3.72Å; V141-I361 HydrophobicContact CG1-CD1 4.4Å
142	L	91.3	Very high	83.1	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-34.4	178.9	-63.4	175.9	0	0	0	112.4	S138 N139 G146 F159 K161 I178 F354 V358 I361	S138-L142 WeakPolarHBondContact O-CG 3.36Å; S138-L142 PolarHBondContact O-N 3.05Å; S138-L142 VanDerWaalsContact O-N 3.09Å; N139-L142 PolarHBondContact O-N 3.13Å; N139-L142 VanDerWaalsContact O-N 3.15Å; L142-G146 VanDerWaalsContact O-CA 3.27Å; L142-G146 WeakPolarHBondContact O-CA 3.45Å; L142-G146 PolarHBondContact O-N 3.09Å; L142-F159 HydrophobicContact CB-CZ 4.06Å; L142-K161 HydrophobicContact CD1-CD 3.87Å; L142-I178 HydrophobicContact CD1-CD1 4.11Å; L142-I178 HydrophobicContact CD1-CG2 4.06Å; L142-F354 HydrophobicContact CD2-CE2 4.05Å; L142-F354 HydrophobicContact CD2-CZ 4.28Å; L142-V358 HydrophobicContact CD2-CG2 3.68Å; L142-I361 HydrophobicContact CD2-CD1 4.1Å; L142-I361 HydrophobicContact CG-CD1 4.38Å
143	E	89.6	Confident	83.1	Confident	32 Å²	32	29.3 Å²	29.3	15%	0.15	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-38.8	174.9	-70.3	-172.9	-155.7	0	0	111.3	K112 N139 V141 F145 N147 N155	K112-E143 IonicContact NZ-OE1 2.67Å; N139-E143 WeakPolarHBondContact O-CB 3.41Å; N139-E143 VanDerWaalsContact O-CG 3.29Å; N139-E143 WeakPolarHBondContact O-CG 3.27Å; N139-E143 PolarHBondContact O-N 3.24Å; V141-E143 VanDerWaalsContact C-N 3.31Å; V141-E143 PolarHBondContact O-N 3.02Å; E143-F145 PolarHBondContact O-N 3.45Å; E143-N147 WeakPolarHBondContact CG-ND2 3.33Å; E143-N147 WeakPolarHBondContact O-CA 3.4Å; E143-N147 WeakPolarHBondContact O-CB 3.38Å; E143-N147 PolarHBondContact O-N 3.42Å; E143-N155 PolarHBondContact OE2-ND2 3.31Å
144	A	94.4	Very high	83.1	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-45	177.1	0	0	0	0	0	112.5	P140 V141 H199 I200 Q203 V247	P140-A144 WeakPolarHBondContact O-CB 3.19Å; P140-A144 PolarHBondContact O-N 3.41Å; V141-A144 PolarHBondContact O-N 3.36Å; A144-H199 PolarHBondContact O-N 3.23Å; A144-I200 HydrophobicContact CB-CB 4.26Å; A144-I200 HydrophobicContact CB-CD1 4.33Å; A144-I200 WeakPolarHBondContact O-CB 3.41Å; A144-I200 PolarHBondContact O-N 3.03Å; A144-Q203 VanDerWaalsContact CB-OE1 3.31Å; A144-V247 HydrophobicContact CB-CG1 4.32Å; A144-V247 HydrophobicContact CB-CG2 3.62Å
145	F	95.6	Very high	83.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-90.3	-21.4	-176.9	-74.3	-95.6	0	0	0	114.3	V141 E143 F198 I200 M251 V264 Y350 L353 F354 I357	V141-F145 HydrophobicContact CG1-CD2 4.44Å; V141-F145 WeakPolarHBondContact O-CD2 3.48Å; V141-F145 PolarHBondContact O-N 3.11Å; E143-F145 PolarHBondContact O-N 3.45Å; F145-F198 WeakPolarHBondContact O-CD1 3.43Å; F145-I200 HydrophobicContact CD1-CB 4.44Å; F145-I200 HydrophobicContact CD1-CG1 4.43Å; F145-I200 HydrophobicContact CD1-CG2 3.95Å; F145-I200 HydrophobicContact CD2-CB 4.41Å; F145-I200 HydrophobicContact CD2-CD1 4.49Å; F145-I200 HydrophobicContact CD2-CG1 4.35Å; F145-I200 HydrophobicContact CE1-CB 4.41Å; F145-I200 HydrophobicContact CE1-CG1 3.92Å; F145-I200 HydrophobicContact CE1-CG2 4.13Å; F145-I200 HydrophobicContact CE2-CB 4.37Å; F145-I200 HydrophobicContact CE2-CD1 3.78Å; F145-I200 HydrophobicContact CE2-CG1 3.82Å; F145-I200 HydrophobicContact CG-CB 4.44Å; F145-I200 HydrophobicContact CG-CG2 4.27Å; F145-I200 HydrophobicContact CZ-CB 4.38Å; F145-I200 HydrophobicContact CZ-CD1 3.91Å; F145-I200 HydrophobicContact CZ-CG1 3.59Å; F145-M251 HydrophobicContact CE2-CE 3.69Å; F145-M251 HydrophobicContact CZ-CE 4.26Å; F145-V264 HydrophobicContact CE1-CG1 4.12Å; F145-V264 HydrophobicContact CE2-CG1 4.42Å; F145-V264 HydrophobicContact CZ-CG1 3.54Å; F145-Y350 VanDerWaalsContact C-OH 3.3Å; F145-Y350 VanDerWaalsContact CA-OH 3.28Å; F145-Y350 WeakPolarHBondContact CA-OH 3.48Å; F145-Y350 HydrophobicContact CD1-CE2 4.23Å; F145-Y350 WeakPolarHBondContact O-CE1 3.28Å; F145-Y350 PolarHBondContact O-OH 3.05Å; F145-L353 HydrophobicContact CE1-CD2 4.05Å; F145-F354 HydrophobicContact CB-CD2 3.56Å; F145-F354 HydrophobicContact CB-CE2 3.86Å; F145-I357 HydrophobicContact CD1-CD1 3.81Å; F145-I357 HydrophobicContact CD2-CD1 3.98Å; F145-I357 HydrophobicContact CE1-CD1 3.69Å; F145-I357 HydrophobicContact CE2-CD1 3.88Å; F145-I357 HydrophobicContact CG-CD1 3.96Å; F145-I357 HydrophobicContact CZ-CD1 3.73Å
146	G	91.1	Very high	83.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-114.2	-11.1	-172.9	0	0	0	0	0	114.9	L142 R158 F159	L142-G146 VanDerWaalsContact O-CA 3.27Å; L142-G146 WeakPolarHBondContact O-CA 3.45Å; L142-G146 PolarHBondContact O-N 3.09Å; G146-R158 PolarHBondContact O-N 2.84Å; G146-F159 WeakPolarHBondContact O-CD1 3.41Å
147	N	89.4	Confident	83.5	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.2	177.7	-58.4	9	0	0	0	112.6	E143 N155 S156 S157 F198 H199	E143-N147 WeakPolarHBondContact CG-ND2 3.33Å; E143-N147 WeakPolarHBondContact O-CA 3.4Å; E143-N147 WeakPolarHBondContact O-CB 3.38Å; E143-N147 PolarHBondContact O-N 3.42Å; N147-N155 WeakPolarHBondContact CB-OD1 3.33Å; N147-N155 PolarHBondContact ND2-OD1 2.93Å; N147-S156 WeakPolarHBondContact CA-O 3.25Å; N147-S156 WeakPolarHBondContact CB-O 3.36Å; N147-S157 PolarHBondContact ND2-OG 3.43Å; N147-S157 WeakPolarHBondContact OD1-CA 3.34Å; N147-S157 WeakPolarHBondContact OD1-CB 3.47Å; N147-S157 PolarHBondContact OD1-OG 2.83Å; N147-F198 WeakPolarHBondContact O-CA 3.38Å; N147-H199 PolarHBondContact O-CD2 3.15Å; N147-H199 PolarHBondContact O-N 3.01Å; N147-H199 VanDerWaalsContact O-N 3.09Å
148	A	87.6	Confident	83.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.3	176.6	0	0	0	0	0	111.2	S156 R158 R187 N197 F198	A148-S156 PolarHBondContact N-O 3.48Å; A148-S156 WeakPolarHBondContact O-CB 3.41Å; A148-S156 PolarHBondContact O-N 3.44Å; A148-R158 HydrophobicContact CB-CG 4.39Å; A148-R187 VanDerWaalsContact CB-CD 3.45Å; A148-N197 WeakPolarHBondContact CB-O 3.29Å; A148-F198 HydrophobicContact CB-CD1 4.49Å
149	K	84.7	Confident	83.5	Confident	29 Å²	29	24.1 Å²	24.1	13%	0.126	12%	0.121	C	C	.	.			trans	-82.6	122.3	168.7	-176.9	-92.7	-177.7	-147.1	0	110	N153 G194 E195 R196 V232 V235	K149-N153 CarbonylContact C-O 3.44Å; K149-N153 WeakPolarHBondContact CA-O 3.17Å; K149-G194 PolarHBondContact NZ-O 3.22Å; K149-E195 WeakPolarHBondContact O-CA 3.34Å; K149-R196 HydrophobicContact CB-CB 4Å; K149-R196 HydrophobicContact CB-CG 4.21Å; K149-R196 PolarHBondContact O-N 2.91Å; K149-V232 HydrophobicContact CD-CG1 4.35Å; K149-V235 HydrophobicContact CB-CG2 4.22Å; K149-V235 HydrophobicContact CG-CG2 4.01Å
150	T	76.8	Confident	83.3	Confident	11 Å²	11	23.9 Å²	23.9	7%	0.067	12%	0.12	C	C	.	.			trans	-102.4	177.2	171.6	65.7	0	0	0	0	110.7	R152 N153 E195	T150-R152 PolarHBondContact O-N 2.97Å; T150-R152 PolarHBondContact OG1-N 3.29Å; T150-N153 PolarHBondContact N-O 3.35Å; T150-N153 PolarHBondContact OG1-N 3.13Å; T150-N153 VanDerWaalsContact OG1-N 3.15Å; T150-N153 PolarHBondContact OG1-O 3.49Å; T150-E195 WeakPolarHBondContact CA-OE1 3.31Å; T150-E195 VanDerWaalsContact CB-OE1 3.24Å; T150-E195 WeakPolarHBondContact CB-OE1 3.28Å
151	I	70.4	Confident	83.1	Confident	113 Å²	113	22.4 Å²	22.4	58%	0.579	11%	0.109	S	C	*	.	S	Bend	trans	-57.5	-36	174.3	-61.5	169.8	0	0	0	111	E195	I151-E195 HydrophobicContact CG1-CG 3.9Å; I151-E195 PolarHBondContact N-OE1 3.43Å
152	R	61.6	Low	82.8	Confident	95 Å²	95	22.5 Å²	22.5	36%	0.358	11%	0.11	S	C	.	.	S	Bend	trans	-100.7	-16	-170.9	-61.1	-175.9	-178.6	174.4	2.7	115.1	E102 T150 K590	E102-R152 WeakPolarHBondContact OE1-CD 3.03Å; E102-R152 IonicContact OE1-CZ 4Å; E102-R152 IonicContact OE1-NH1 3.73Å; E102-R152 PolarHBondContact OE1-NH1 3Å; T150-R152 PolarHBondContact O-N 2.97Å; T150-R152 PolarHBondContact OG1-N 3.29Å; R152-K590 PolarHBondContact O-NZ 2.96Å
153	N	69.4	Low	82.6	Confident	14 Å²	14	22.5 Å²	22.5	8%	0.075	11%	0.11	C	C	.	.			trans	-148.2	132.3	-177.3	-177.8	12	0	0	0	112	S103 G104 K149 T150 N155 S156	S103-N153 PolarHBondContact OG-ND2 3.17Å; G104-N153 VanDerWaalsContact CA-ND2 3.34Å; G104-N153 WeakPolarHBondContact CA-ND2 3.41Å; G104-N153 PolarHBondContact N-ND2 3.3Å; K149-N153 CarbonylContact C-O 3.44Å; K149-N153 WeakPolarHBondContact CA-O 3.17Å; T150-N153 PolarHBondContact N-O 3.35Å; T150-N153 PolarHBondContact OG1-N 3.13Å; T150-N153 VanDerWaalsContact OG1-N 3.15Å; T150-N153 PolarHBondContact OG1-O 3.49Å; N153-N155 VanDerWaalsContact ND2-C 3.3Å; N153-N155 PolarHBondContact ND2-O 3.31Å; N153-N155 PolarHBondContact OD1-N 3.01Å; N153-S156 WeakPolarHBondContact ND2-CA 3.39Å
154	N	75.4	Confident	82.5	Confident	51 Å²	51	21.8 Å²	21.8	27%	0.273	11%	0.107	S	C	.	.	S	Bend	trans	-69.9	-27.6	176.8	-68.4	-13.2	0	0	0	113.9	H199 V235	N154-H199 PolarHBondContact O-CE1 3Å; N154-H199 VanDerWaalsContact O-CE1 3.3Å; N154-V235 HydrophobicContact CB-CG1 3.88Å
155	N	78	Confident	82.1	Confident	55 Å²	55	22.4 Å²	22.4	29%	0.294	11%	0.11	S	C	.	.	S	Bend	trans	-136	78.3	179.6	-168.1	15.9	0	0	0	110.6	E143 N147 N153 H199	E143-N155 PolarHBondContact OE2-ND2 3.31Å; N147-N155 WeakPolarHBondContact CB-OD1 3.33Å; N147-N155 PolarHBondContact ND2-OD1 2.93Å; N153-N155 VanDerWaalsContact ND2-C 3.3Å; N153-N155 PolarHBondContact ND2-O 3.31Å; N153-N155 PolarHBondContact OD1-N 3.01Å; N155-H199 PolarHBondContact OD1-NE2 3.41Å
156	S	77.8	Confident	81.7	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.3	-178.7	-177.1	0	0	0	0	111.1	S103 N147 A148 N153 R158	S103-S156 WeakPolarHBondContact CB-OG 3.47Å; S103-S156 WeakPolarHBondContact OG-CA 3.43Å; S103-S156 WeakPolarHBondContact OG-CB 3.22Å; S103-S156 PolarHBondContact OG-OG 2.81Å; N147-S156 WeakPolarHBondContact CA-O 3.25Å; N147-S156 WeakPolarHBondContact CB-O 3.36Å; A148-S156 PolarHBondContact N-O 3.48Å; A148-S156 WeakPolarHBondContact O-CB 3.41Å; A148-S156 PolarHBondContact O-N 3.44Å; N153-S156 WeakPolarHBondContact ND2-CA 3.39Å; S156-R158 PolarHBondContact O-N 2.89Å
157	S	83.5	Confident	81.5	Confident	27 Å²	27	22.8 Å²	22.8	19%	0.189	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.9	166.3	-58.2	0	0	0	0	110.8	N147	N147-S157 PolarHBondContact ND2-OG 3.43Å; N147-S157 WeakPolarHBondContact OD1-CA 3.34Å; N147-S157 WeakPolarHBondContact OD1-CB 3.47Å; N147-S157 PolarHBondContact OD1-OG 2.83Å
158	R	83.8	Confident	81.3	Confident	22 Å²	22	24.4 Å²	24.4	8%	0.083	12%	0.12	C	C	.	.			trans	-114.3	31.7	178.1	-53.8	-55.9	-65.6	167.9	-2.8	111.3	G146 A148 S156 L183 E184 F198 E385	G146-R158 PolarHBondContact O-N 2.84Å; A148-R158 HydrophobicContact CB-CG 4.39Å; S156-R158 PolarHBondContact O-N 2.89Å; R158-L183 WeakPolarHBondContact O-CA 3.45Å; R158-E184 HydrophobicContact CB-CB 3.88Å; R158-E184 WeakPolarHBondContact CB-OE2 3.46Å; R158-E184 WeakPolarHBondContact CG-OE2 3.45Å; R158-E184 IonicContact CZ-OE1 2.58Å; R158-E184 IonicContact CZ-OE2 2.76Å; R158-E184 IonicContact NE-OE1 2.66Å; R158-E184 IonicContact NE-OE2 2.71Å; R158-E184 PolarHBondContact NE-OE2 3.12Å; R158-E184 VanDerWaalsContact NH2-CD 3.32Å; R158-E184 IonicContact NH2-OE1 3.47Å; R158-E184 PolarHBondContact NH2-OE1 3.49Å; R158-E184 IonicContact NH2-OE2 2.71Å; R158-E184 PolarHBondContact NH2-OE2 3.27Å; R158-E184 PolarHBondContact O-N 3.38Å; R158-F198 HydrophobicContact CB-CE1 4.14Å; R158-E385 IonicContact CZ-OE1 3.94Å; R158-E385 IonicContact NH1-OE1 3.46Å; R158-E385 PolarHBondContact NH1-OE1 3.25Å; R158-E385 IonicContact NH2-OE1 3.05Å; R158-E385 IonicContact NH2-OE2 3.52Å
159	F	84.4	Confident	81	Confident	7 Å²	7	30.9 Å²	30.9	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	-151.4	154.7	170.9	74.5	-72.1	0	0	0	108.4	L142 G146 K161 N180 Y181 L183 F354	L142-F159 HydrophobicContact CB-CZ 4.06Å; G146-F159 WeakPolarHBondContact O-CD1 3.41Å; F159-K161 HydrophobicContact CD2-CB 4.35Å; F159-K161 HydrophobicContact CE2-CB 3.66Å; F159-K161 HydrophobicContact CE2-CD 4.41Å; F159-K161 HydrophobicContact CE2-CG 4.1Å; F159-K161 HydrophobicContact CZ-CB 4.16Å; F159-K161 HydrophobicContact CZ-CD 4.35Å; F159-N180 HydrophobicContact CD2-CB 4.03Å; F159-N180 HydrophobicContact CE2-CB 4.38Å; F159-Y181 CarbonylContact C-O 3.24Å; F159-Y181 WeakPolarHBondContact CA-O 3.41Å; F159-L183 HydrophobicContact CB-CB 4.33Å; F159-L183 HydrophobicContact CB-CD1 4.05Å; F159-F354 HydrophobicContact CB-CE1 4.38Å; F159-F354 HydrophobicContact CD1-CE1 4.5Å; F159-F354 HydrophobicContact CD1-CZ 4.05Å; F159-F354 AromaticContact CD2-CE1 3.81Å; F159-F354 HydrophobicContact CD2-CE1 3.81Å; F159-F354 AromaticContact CD2-CZ 3.73Å; F159-F354 HydrophobicContact CD2-CZ 3.73Å; F159-F354 HydrophobicContact CE1-CZ 4.04Å; F159-F354 HydrophobicContact CE2-CE1 4.2Å; F159-F354 AromaticContact CE2-CZ 3.69Å; F159-F354 HydrophobicContact CE2-CZ 3.69Å; F159-F354 AromaticContact CG-CE1 3.98Å; F159-F354 HydrophobicContact CG-CE1 3.98Å; F159-F354 AromaticContact CG-CZ 3.92Å; F159-F354 HydrophobicContact CG-CZ 3.92Å; F159-F354 AromaticContact CZ-CZ 3.87Å; F159-F354 HydrophobicContact CZ-CZ 3.87Å
160	G	81.9	Confident	80.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.3	166.4	0	0	0	0	0	110.7	N180 Y181 D380	G160-N180 CarbonylContact O-C 3.55Å; G160-N180 WeakPolarHBondContact O-CA 3.29Å; G160-Y181 PolarHBondContact N-O 3.35Å; G160-Y181 PolarHBondContact O-N 3.23Å; G160-D380 WeakPolarHBondContact CA-O 3.5Å
161	K	85.3	Confident	80.5	Confident	10 Å²	10	37.2 Å²	37.2	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.3	-179.2	-175.7	179.1	65.7	-177	0	109.4	N139 L142 F159 M163 I178 D380	N139-K161 PolarHBondContact OD1-NZ 3.47Å; L142-K161 HydrophobicContact CD1-CD 3.87Å; F159-K161 HydrophobicContact CD2-CB 4.35Å; F159-K161 HydrophobicContact CE2-CB 3.66Å; F159-K161 HydrophobicContact CE2-CD 4.41Å; F159-K161 HydrophobicContact CE2-CG 4.1Å; F159-K161 HydrophobicContact CZ-CB 4.16Å; F159-K161 HydrophobicContact CZ-CD 4.35Å; K161-M163 HydrophobicContact CD-CE 4.42Å; K161-M163 HydrophobicContact CD-CG 4.26Å; K161-M163 HydrophobicContact CD-SD 3.9Å; K161-M163 HydrophobicContact CG-CG 4.03Å; K161-M163 HydrophobicContact CG-SD 4.33Å; K161-I178 HydrophobicContact CG-CG2 4.35Å; K161-D380 PolarHBondContact N-O 2.79Å; K161-D380 PolarHBondContact O-N 2.87Å
162	Y	86.4	Confident	80.9	Confident	3 Å²	3	33.7 Å²	33.7	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.3	170.4	-170.8	-122.5	0	0	0	109.9	D164 I178 T179 Y181 L379 N577 K581	Y162-D164 WeakPolarHBondContact CE1-OD1 3.32Å; Y162-D164 VanDerWaalsContact CE1-OD2 3.31Å; Y162-D164 WeakPolarHBondContact CE1-OD2 3.33Å; Y162-D164 PolarHBondContact OH-OD1 3.48Å; Y162-I178 CarbonylContact O-C 3.55Å; Y162-I178 WeakPolarHBondContact O-CA 3.36Å; Y162-T179 PolarHBondContact N-O 3.25Å; Y162-T179 PolarHBondContact O-N 3.08Å; Y162-Y181 HydrophobicContact CG-CE2 4.37Å; Y162-L379 HydrophobicContact CD2-CB 3.65Å; Y162-L379 HydrophobicContact CD2-CD1 3.67Å; Y162-L379 HydrophobicContact CD2-CG 4.22Å; Y162-L379 HydrophobicContact CE2-CB 4.1Å; Y162-L379 HydrophobicContact CG-CD1 4.06Å; Y162-N577 VanDerWaalsContact CE1-ND2 3.31Å; Y162-N577 WeakPolarHBondContact CE1-ND2 3.44Å; Y162-K581 WeakPolarHBondContact OH-CD 3.22Å; Y162-K581 WeakPolarHBondContact OH-CE 3.37Å; Y162-K581 PolarHBondContact OH-NZ 3.12Å; Y162-K581 VanDerWaalsContact OH-NZ 3.15Å
163	M	86.6	Confident	81.8	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	109.8	178.3	-62.3	178.2	-61.6	0	0	108.8	S111 M115 K161 V177 I178 G377 V378	S111-M163 WeakPolarHBondContact OG-CE 3.31Å; M115-M163 HydrophobicContact CE-CE 3.43Å; M115-M163 VanDerWaalsContact CE-CE 3.43Å; M115-M163 HydrophobicContact CE-SD 4.33Å; M115-M163 HydrophobicContact SD-CE 3.47Å; M115-M163 WeakPolarHBondContact SD-CE 3.26Å; M115-M163 HydrophobicContact SD-SD 4.12Å; K161-M163 HydrophobicContact CD-CE 4.42Å; K161-M163 HydrophobicContact CD-CG 4.26Å; K161-M163 HydrophobicContact CD-SD 3.9Å; K161-M163 HydrophobicContact CG-CG 4.03Å; K161-M163 HydrophobicContact CG-SD 4.33Å; M163-V177 WeakPolarHBondContact CA-O 3.24Å; M163-I178 HydrophobicContact CG-CG1 4.18Å; M163-I178 HydrophobicContact CG-CG2 4.32Å; M163-G377 CarbonylContact O-C 3.54Å; M163-G377 VanDerWaalsContact O-CA 3.28Å; M163-G377 WeakPolarHBondContact O-CA 3.47Å; M163-V378 PolarHBondContact N-O 2.83Å; M163-V378 PolarHBondContact O-N 3.33Å
164	D	87.8	Confident	82.3	Confident	17 Å²	17	31.5 Å²	31.5	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.5	169.9	-86.5	-21.2	0	0	0	108.8	Y162 G176 V177 V375 G377 K581	Y162-D164 WeakPolarHBondContact CE1-OD1 3.32Å; Y162-D164 VanDerWaalsContact CE1-OD2 3.31Å; Y162-D164 WeakPolarHBondContact CE1-OD2 3.33Å; Y162-D164 PolarHBondContact OH-OD1 3.48Å; D164-G176 CarbonylContact O-C 3.6Å; D164-G176 WeakPolarHBondContact O-CA 3.48Å; D164-V177 HydrophobicContact CB-CB 4.45Å; D164-V177 PolarHBondContact N-O 3.35Å; D164-V177 PolarHBondContact O-N 3.48Å; D164-V375 HydrophobicContact CB-CG1 3.56Å; D164-V375 WeakPolarHBondContact OD1-CG1 3.47Å; D164-G377 VanDerWaalsContact OD1-CA 3.23Å; D164-G377 WeakPolarHBondContact OD1-CA 3.21Å; D164-K581 IonicContact OD1-NZ 3.72Å; D164-K581 PolarHBondContact OD1-NZ 2.87Å; D164-K581 IonicContact OD2-NZ 3.66Å; D164-K581 PolarHBondContact OD2-NZ 3.36Å
165	I	86.7	Confident	82.8	Confident	14 Å²	14	29 Å²	29	7%	0.072	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.9	168.2	-54.3	168.5	0	0	0	106.9	M115 L135 F167 P173 V375 M376	M115-I165 HydrophobicContact CG-CD1 4.18Å; L135-I165 HydrophobicContact CD1-CG1 4.24Å; I165-F167 HydrophobicContact CB-CE2 3.73Å; I165-F167 HydrophobicContact CB-CZ 4.01Å; I165-F167 HydrophobicContact CG2-CD2 4.35Å; I165-F167 HydrophobicContact CG2-CE1 4.18Å; I165-F167 HydrophobicContact CG2-CE2 3.49Å; I165-F167 VanDerWaalsContact CG2-CE2 3.49Å; I165-F167 HydrophobicContact CG2-CZ 3.39Å; I165-F167 VanDerWaalsContact O-CD2 3.31Å; I165-F167 WeakPolarHBondContact O-CD2 3.35Å; I165-F167 VanDerWaalsContact O-CE2 3.24Å; I165-F167 WeakPolarHBondContact O-CE2 3.46Å; I165-P173 HydrophobicContact CG2-CB 4.4Å; I165-V375 WeakPolarHBondContact O-CA 3Å; I165-M376 PolarHBondContact N-O 3.09Å; I165-M376 PolarHBondContact O-N 3.26Å
166	E	87.8	Confident	83.2	Confident	8 Å²	8	26.4 Å²	26.4	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.6	-176.7	-57.3	-171	162.9	0	0	109.8	P173 L174 G175 V367 K373 K374 V375	E166-P173 CarbonylContact O-C 3.58Å; E166-P173 WeakPolarHBondContact O-CA 3.27Å; E166-L174 PolarHBondContact O-N 2.84Å; E166-G175 PolarHBondContact N-O 2.98Å; E166-G175 PolarHBondContact O-N 2.63Å; E166-V367 HydrophobicContact CB-CG2 4.24Å; E166-V367 VanDerWaalsContact OE2-CG2 3.29Å; E166-V367 WeakPolarHBondContact OE2-CG2 3.5Å; E166-K373 HydrophobicContact CB-CD 4.29Å; E166-K373 HydrophobicContact CG-CD 4.15Å; E166-K373 IonicContact OE1-NZ 3.36Å; E166-K373 PolarHBondContact OE1-NZ 2.85Å; E166-K373 VanDerWaalsContact OE2-CD 3.23Å; E166-K373 WeakPolarHBondContact OE2-CD 3.21Å; E166-K373 IonicContact OE2-NZ 2.73Å; E166-K373 PolarHBondContact OE2-NZ 3.5Å; E166-K374 CarbonylContact C-O 3.52Å; E166-V375 HydrophobicContact CG-CG2 4.48Å
167	F	86.4	Confident	83.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.4	-178.6	-60.7	-93.9	0	0	0	111	Y85 L88 V118 I165 S172 P173 K373 K374 M376	Y85-F167 HydrophobicContact CE2-CE1 4.44Å; L88-F167 HydrophobicContact CD1-CD2 4.45Å; L88-F167 HydrophobicContact CD2-CB 4.15Å; L88-F167 HydrophobicContact CD2-CD1 4.31Å; L88-F167 HydrophobicContact CD2-CD2 3.6Å; L88-F167 HydrophobicContact CD2-CE2 4.08Å; L88-F167 HydrophobicContact CD2-CG 3.74Å; V118-F167 HydrophobicContact CG1-CE1 4.05Å; V118-F167 HydrophobicContact CG1-CZ 3.66Å; I165-F167 HydrophobicContact CB-CE2 3.73Å; I165-F167 HydrophobicContact CB-CZ 4.01Å; I165-F167 HydrophobicContact CG2-CD2 4.35Å; I165-F167 HydrophobicContact CG2-CE1 4.18Å; I165-F167 HydrophobicContact CG2-CE2 3.49Å; I165-F167 VanDerWaalsContact CG2-CE2 3.49Å; I165-F167 HydrophobicContact CG2-CZ 3.39Å; I165-F167 VanDerWaalsContact O-CD2 3.31Å; I165-F167 WeakPolarHBondContact O-CD2 3.35Å; I165-F167 VanDerWaalsContact O-CE2 3.24Å; I165-F167 WeakPolarHBondContact O-CE2 3.46Å; F167-S172 CarbonylContact C-O 3.54Å; F167-S172 VanDerWaalsContact CA-O 3.25Å; F167-S172 WeakPolarHBondContact CA-O 3.34Å; F167-P173 HydrophobicContact CD1-CB 4.12Å; F167-P173 HydrophobicContact CE1-CB 3.94Å; F167-K373 CarbonylContact O-C 3.53Å; F167-K373 VanDerWaalsContact O-CA 3.26Å; F167-K373 WeakPolarHBondContact O-CA 3.44Å; F167-K374 HydrophobicContact CB-CB 4.39Å; F167-K374 PolarHBondContact N-O 3.48Å; F167-K374 PolarHBondContact O-N 2.82Å; F167-M376 HydrophobicContact CD2-CB 4.39Å; F167-M376 HydrophobicContact CE2-CB 3.59Å; F167-M376 HydrophobicContact CZ-CB 4.38Å
168	D	85.1	Confident	83.9	Confident	34 Å²	34	26.8 Å²	26.8	18%	0.182	13%	0.131	C	C	.	.			trans	-69.7	173.8	167	75.3	4.4	0	0	0	111.2	K170 G171 S172 L174	D168-K170 PolarHBondContact O-N 2.84Å; D168-K170 VanDerWaalsContact OD1-C 3.26Å; D168-K170 VanDerWaalsContact OD1-CA 3.27Å; D168-K170 WeakPolarHBondContact OD1-CA 3.37Å; D168-K170 WeakPolarHBondContact OD1-CB 3.26Å; D168-K170 PolarHBondContact OD1-N 2.88Å; D168-G171 PolarHBondContact O-N 2.88Å; D168-G171 VanDerWaalsContact O-N 3.16Å; D168-G171 PolarHBondContact OD1-N 3.44Å; D168-S172 PolarHBondContact N-O 2.92Å; D168-S172 PolarHBondContact OD1-N 2.63Å; D168-S172 PolarHBondContact OD2-OG 2.62Å; D168-L174 HydrophobicContact CB-CD1 3.93Å; D168-L174 HydrophobicContact CB-CD2 4.05Å; D168-L174 HydrophobicContact CB-CG 4Å
169	F	81.2	Confident	84	Confident	136 Å²	136	27.7 Å²	27.7	60%	0.596	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	176.2	-175.3	-99.9	0	0	0	113.3	D92 K374	D92-F169 VanDerWaalsContact OD2-CE2 3.24Å; D92-F169 WeakPolarHBondContact OD2-CE2 3.21Å; F169-K374 PolarHBondContact O-NZ 2.96Å
170	K	76.4	Confident	84.1	Confident	173 Å²	173	28.7 Å²	28.7	75%	0.752	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.8	-179.8	-61.1	175.9	-179.7	172.7	0	113.1	D168	D168-K170 PolarHBondContact O-N 2.84Å; D168-K170 VanDerWaalsContact OD1-C 3.26Å; D168-K170 VanDerWaalsContact OD1-CA 3.27Å; D168-K170 WeakPolarHBondContact OD1-CA 3.37Å; D168-K170 WeakPolarHBondContact OD1-CB 3.26Å; D168-K170 PolarHBondContact OD1-N 2.88Å
171	G	75.1	Confident	83.9	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	91.8	17	-177.4	0	0	0	0	0	115.1	Y85 D168	Y85-G171 PolarHBondContact OH-O 3.06Å; D168-G171 PolarHBondContact O-N 2.88Å; D168-G171 VanDerWaalsContact O-N 3.16Å; D168-G171 PolarHBondContact OD1-N 3.44Å
172	S	79.3	Confident	83.4	Confident	38 Å²	38	30.5 Å²	30.5	27%	0.266	15%	0.153	S	C	.	.			trans	-89.3	136.1	172.6	-46.7	0	0	0	0	110.1	F167 D168 L174	F167-S172 CarbonylContact C-O 3.54Å; F167-S172 VanDerWaalsContact CA-O 3.25Å; F167-S172 WeakPolarHBondContact CA-O 3.34Å; D168-S172 PolarHBondContact N-O 2.92Å; D168-S172 PolarHBondContact OD1-N 2.63Å; D168-S172 PolarHBondContact OD2-OG 2.62Å; S172-L174 PolarHBondContact O-N 3.25Å
173	P	79.4	Confident	83.3	Confident	17 Å²	17	31.3 Å²	31.3	11%	0.11	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.1	179.9	29.4	-34.5	0	0	0	110.6	C122 V128 I165 E166 F167	C122-P173 HydrophobicContact CB-CG 4.34Å; V128-P173 HydrophobicContact CB-CG 3.95Å; V128-P173 HydrophobicContact CG1-CG 3.3Å; V128-P173 HydrophobicContact CG2-CG 3.83Å; I165-P173 HydrophobicContact CG2-CB 4.4Å; E166-P173 CarbonylContact O-C 3.58Å; E166-P173 WeakPolarHBondContact O-CA 3.27Å; F167-P173 HydrophobicContact CD1-CB 4.12Å; F167-P173 HydrophobicContact CE1-CB 3.94Å
174	L	80.9	Confident	83	Confident	46 Å²	46	32.7 Å²	32.7	24%	0.241	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-35.6	178.8	-67.3	173.9	0	0	0	111.9	E166 D168 S172 V367 E371	E166-L174 PolarHBondContact O-N 2.84Å; D168-L174 HydrophobicContact CB-CD1 3.93Å; D168-L174 HydrophobicContact CB-CD2 4.05Å; D168-L174 HydrophobicContact CB-CG 4Å; S172-L174 PolarHBondContact O-N 3.25Å; L174-V367 VanDerWaalsContact C-CG2 3.48Å; L174-V367 HydrophobicContact CB-CB 4.45Å; L174-V367 HydrophobicContact CB-CG1 4Å; L174-V367 HydrophobicContact CB-CG2 3.55Å; L174-V367 HydrophobicContact CD1-CG1 4.31Å; L174-E371 WeakPolarHBondContact CD1-OE2 3.43Å
175	G	84.7	Confident	82.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	-159.8	-170.5	0	0	0	0	0	111.8	E166 I365	E166-G175 PolarHBondContact N-O 2.98Å; E166-G175 PolarHBondContact O-N 2.63Å; G175-I365 CarbonylContact C-O 3.56Å; G175-I365 WeakPolarHBondContact CA-O 2.98Å
176	G	86.1	Confident	82.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	174.3	174.7	0	0	0	0	0	114.3	D164 I365	D164-G176 CarbonylContact O-C 3.6Å; D164-G176 WeakPolarHBondContact O-CA 3.48Å; G176-I365 PolarHBondContact N-O 3.4Å; G176-I365 WeakPolarHBondContact O-CD1 3.39Å; G176-I365 VanDerWaalsContact O-CG1 3.29Å; G176-I365 WeakPolarHBondContact O-CG1 3.12Å
177	V	88.1	Confident	82.4	Confident	35 Å²	35	35 Å²	35	21%	0.212	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	125.8	173.8	-178.3	0	0	0	0	108.9	M163 D164	M163-V177 WeakPolarHBondContact CA-O 3.24Å; D164-V177 HydrophobicContact CB-CB 4.45Å; D164-V177 PolarHBondContact N-O 3.35Å; D164-V177 PolarHBondContact O-N 3.48Å
178	I	88.8	Confident	82.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.1	172.3	-52.4	-178	0	0	0	108	S138 L142 K161 Y162 M163 V358 I361 N362 I365	S138-I178 WeakPolarHBondContact OG-CD1 3.44Å; L142-I178 HydrophobicContact CD1-CD1 4.11Å; L142-I178 HydrophobicContact CD1-CG2 4.06Å; K161-I178 HydrophobicContact CG-CG2 4.35Å; Y162-I178 CarbonylContact O-C 3.55Å; Y162-I178 WeakPolarHBondContact O-CA 3.36Å; M163-I178 HydrophobicContact CG-CG1 4.18Å; M163-I178 HydrophobicContact CG-CG2 4.32Å; I178-V358 HydrophobicContact CB-CG1 4.29Å; I178-V358 HydrophobicContact CG2-CG1 4.18Å; I178-V358 WeakPolarHBondContact O-CG1 3.46Å; I178-I361 HydrophobicContact CD1-CG2 3.84Å; I178-N362 PolarHBondContact N-OD1 2.96Å; I178-N362 PolarHBondContact O-ND2 3.19Å; I178-N362 PolarHBondContact O-OD1 3.31Å; I178-I365 HydrophobicContact CD1-CD1 4.36Å; I178-I365 HydrophobicContact CG1-CD1 3.99Å
179	T	86.3	Confident	82.7	Confident	41 Å²	41	34.4 Å²	34.4	25%	0.252	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.9	170.9	-47.1	0	0	0	0	108.6	Y162 Y181	Y162-T179 PolarHBondContact N-O 3.25Å; Y162-T179 PolarHBondContact O-N 3.08Å; T179-Y181 HydrophobicContact CG2-CD2 4.27Å; T179-Y181 HydrophobicContact CG2-CE1 3.87Å; T179-Y181 HydrophobicContact CG2-CE2 3.56Å; T179-Y181 WeakPolarHBondContact CG2-OH 3.48Å
180	N	86.7	Confident	82.7	Confident	27 Å²	27	35.7 Å²	35.7	14%	0.144	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.8	172.2	63.9	-46.2	0	0	0	110	F159 G160 F354 D355 V358	F159-N180 HydrophobicContact CD2-CB 4.03Å; F159-N180 HydrophobicContact CE2-CB 4.38Å; G160-N180 CarbonylContact O-C 3.55Å; G160-N180 WeakPolarHBondContact O-CA 3.29Å; N180-F354 HydrophobicContact CB-CE1 3.82Å; N180-F354 HydrophobicContact CB-CZ 4.5Å; N180-F354 WeakPolarHBondContact ND2-CD1 3.29Å; N180-F354 WeakPolarHBondContact ND2-CE1 3.39Å; N180-D355 PolarHBondContact ND2-OD1 2.61Å; N180-V358 HydrophobicContact CB-CG1 4.5Å; N180-V358 HydrophobicContact CB-CG2 4.01Å
181	Y	77.3	Confident	83	Confident	16 Å²	16	29 Å²	29	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.4	-178.1	-68.6	-73.5	0	0	0	107.4	F159 G160 Y162 T179 L183 L574	F159-Y181 CarbonylContact C-O 3.24Å; F159-Y181 WeakPolarHBondContact CA-O 3.41Å; G160-Y181 PolarHBondContact N-O 3.35Å; G160-Y181 PolarHBondContact O-N 3.23Å; Y162-Y181 HydrophobicContact CG-CE2 4.37Å; T179-Y181 HydrophobicContact CG2-CD2 4.27Å; T179-Y181 HydrophobicContact CG2-CE1 3.87Å; T179-Y181 HydrophobicContact CG2-CE2 3.56Å; T179-Y181 WeakPolarHBondContact CG2-OH 3.48Å; Y181-L183 PolarHBondContact O-N 2.94Å; Y181-L574 HydrophobicContact CD2-CD1 4.44Å; Y181-L574 HydrophobicContact CE1-CB 4.24Å; Y181-L574 HydrophobicContact CE2-CD1 3.9Å
182	L	74.4	Confident	83	Confident	32 Å²	32	34 Å²	34	17%	0.168	18%	0.177	C	C	.	.			trans	64.1	47.5	154.4	-47.9	168.5	0	0	0	113.9	Y382 F567 V571	L182-Y382 HydrophobicContact CB-CE1 3.64Å; L182-Y382 WeakPolarHBondContact CB-OH 3.27Å; L182-Y382 HydrophobicContact CD1-CE1 4.01Å; L182-Y382 WeakPolarHBondContact CD1-OH 3.47Å; L182-Y382 HydrophobicContact CG-CE1 4.41Å; L182-F567 HydrophobicContact CB-CE2 4.19Å; L182-F567 HydrophobicContact CD1-CE2 3.8Å; L182-F567 HydrophobicContact CD1-CZ 3.83Å; L182-F567 HydrophobicContact CD2-CD2 3.16Å; L182-F567 HydrophobicContact CD2-CE2 3.09Å; L182-F567 HydrophobicContact CD2-CG 3.97Å; L182-F567 HydrophobicContact CD2-CZ 3.84Å; L182-F567 HydrophobicContact CG-CD2 4.31Å; L182-F567 HydrophobicContact CG-CE2 3.78Å; L182-F567 HydrophobicContact CG-CZ 4.32Å; L182-V571 HydrophobicContact CD1-CG2 4.45Å
183	L	84	Confident	82.9	Confident	20 Å²	20	39.6 Å²	39.6	11%	0.105	20%	0.197	C	C	.	.			trans	-64.2	129.9	171.9	-177.2	71.3	0	0	0	110.8	R158 F159 Y181 K185 F198 Y350 F354	R158-L183 WeakPolarHBondContact O-CA 3.45Å; F159-L183 HydrophobicContact CB-CB 4.33Å; F159-L183 HydrophobicContact CB-CD1 4.05Å; Y181-L183 PolarHBondContact O-N 2.94Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 2.85Å; L183-F198 HydrophobicContact CD1-CE1 4.04Å; L183-F198 HydrophobicContact CD1-CZ 3.85Å; L183-F198 HydrophobicContact CG-CZ 4.43Å; L183-Y350 HydrophobicContact CD2-CD1 4.22Å; L183-Y350 HydrophobicContact CD2-CE1 4.36Å; L183-F354 HydrophobicContact CB-CD1 4.46Å; L183-F354 HydrophobicContact CD1-CD1 4.06Å; L183-F354 HydrophobicContact CD1-CE1 4.07Å; L183-F354 HydrophobicContact CD2-CB 4.07Å; L183-F354 HydrophobicContact CD2-CD1 3.85Å; L183-F354 HydrophobicContact CD2-CG 4.17Å; L183-F354 HydrophobicContact CG-CD1 4.34Å
184	E	80.5	Confident	82.8	Confident	30 Å²	30	39.8 Å²	39.8	14%	0.14	20%	0.202	C	C	.	.			trans	-72.6	75.4	176.1	-170.2	-173.3	-147.4	0	0	111.7	R158 S186 R187	R158-E184 HydrophobicContact CB-CB 3.88Å; R158-E184 WeakPolarHBondContact CB-OE2 3.46Å; R158-E184 WeakPolarHBondContact CG-OE2 3.45Å; R158-E184 IonicContact CZ-OE1 2.58Å; R158-E184 IonicContact CZ-OE2 2.76Å; R158-E184 IonicContact NE-OE1 2.66Å; R158-E184 IonicContact NE-OE2 2.71Å; R158-E184 PolarHBondContact NE-OE2 3.12Å; R158-E184 VanDerWaalsContact NH2-CD 3.32Å; R158-E184 IonicContact NH2-OE1 3.47Å; R158-E184 PolarHBondContact NH2-OE1 3.49Å; R158-E184 IonicContact NH2-OE2 2.71Å; R158-E184 PolarHBondContact NH2-OE2 3.27Å; R158-E184 PolarHBondContact O-N 3.38Å; E184-S186 PolarHBondContact O-N 3.11Å; E184-R187 HydrophobicContact CG-CB 4.25Å; E184-R187 WeakPolarHBondContact O-CB 3.38Å; E184-R187 PolarHBondContact O-N 2.91Å; E184-R187 IonicContact OE1-NH2 2.82Å; E184-R187 PolarHBondContact OE1-NH2 3Å; E184-R187 IonicContact OE2-CZ 3.94Å; E184-R187 IonicContact OE2-NE 3.24Å; E184-R187 PolarHBondContact OE2-NE 3.49Å; E184-R187 IonicContact OE2-NH2 3.7Å; E184-R187 PolarHBondContact OE2-NH2 3.3Å
185	K	83.9	Confident	83	Confident	43 Å²	43	38.3 Å²	38.3	19%	0.187	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.5	-177.1	-52.7	-175.4	-167.1	173.8	0	112.8	L183 R187 V188 K347 S351 D525	L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 2.85Å; K185-R187 PolarHBondContact O-N 3.31Å; K185-R187 VanDerWaalsContact O-N 3.16Å; K185-V188 WeakPolarHBondContact O-CB 3.33Å; K185-V188 WeakPolarHBondContact O-CG2 3.21Å; K185-V188 PolarHBondContact O-N 3.15Å; K185-V188 VanDerWaalsContact O-N 3.11Å; K185-K347 HydrophobicContact CB-CB 4.25Å; K185-K347 HydrophobicContact CB-CG 4.49Å; K185-K347 WeakPolarHBondContact O-CG 3.35Å; K185-S351 WeakPolarHBondContact CE-OG 3.18Å; K185-D525 IonicContact NZ-OD2 3.66Å; K185-D525 PolarHBondContact NZ-OD2 3.33Å
186	S	78.8	Confident	83.2	Confident	35 Å²	35	38.4 Å²	38.4	25%	0.245	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.8	-29.3	-177.1	50	0	0	0	0	113.3	E184 V188 V189 K190 E393	E184-S186 PolarHBondContact O-N 3.11Å; S186-V188 PolarHBondContact O-N 2.75Å; S186-V189 WeakPolarHBondContact O-CG2 3.42Å; S186-V189 PolarHBondContact O-N 2.91Å; S186-K190 PolarHBondContact O-N 2.9Å; S186-E393 PolarHBondContact OG-OE1 2.61Å; S186-E393 VanDerWaalsContact OG-OE1 3.07Å
187	R	86.2	Confident	83.6	Confident	10 Å²	10	38.4 Å²	38.4	4%	0.038	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27.3	177.7	-176.7	168.8	-63.7	-78.6	-11.2	113.8	A148 E184 K185 V189 K190 Q191 E195 R196 N197 F198	A148-R187 VanDerWaalsContact CB-CD 3.45Å; E184-R187 HydrophobicContact CG-CB 4.25Å; E184-R187 WeakPolarHBondContact O-CB 3.38Å; E184-R187 PolarHBondContact O-N 2.91Å; E184-R187 IonicContact OE1-NH2 2.82Å; E184-R187 PolarHBondContact OE1-NH2 3Å; E184-R187 IonicContact OE2-CZ 3.94Å; E184-R187 IonicContact OE2-NE 3.24Å; E184-R187 PolarHBondContact OE2-NE 3.49Å; E184-R187 IonicContact OE2-NH2 3.7Å; E184-R187 PolarHBondContact OE2-NH2 3.3Å; K185-R187 PolarHBondContact O-N 3.31Å; K185-R187 VanDerWaalsContact O-N 3.16Å; R187-V189 PolarHBondContact O-N 3.43Å; R187-K190 WeakPolarHBondContact CA-O 3.41Å; R187-Q191 HydrophobicContact CG-CG 4.32Å; R187-Q191 PolarHBondContact O-NE2 2.84Å; R187-E195 IonicContact CZ-OE2 2.71Å; R187-E195 VanDerWaalsContact CZ-OE2 3.28Å; R187-E195 IonicContact NH1-OE2 3.13Å; R187-E195 PolarHBondContact NH1-OE2 3.41Å; R187-E195 IonicContact NH2-OE2 3.55Å; R187-E195 PolarHBondContact NH2-OE2 2.91Å; R187-R196 PolarHBondContact NH1-O 3Å; R187-N197 PolarHBondContact O-OD1 2.99Å; R187-F198 HydrophobicContact CB-CE2 4.09Å; R187-F198 HydrophobicContact CB-CZ 4.28Å; R187-F198 HydrophobicContact CG-CE2 4.32Å
188	V	90.7	Very high	83.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.3	-38.3	-179.5	178.6	0	0	0	0	111.3	K185 S186 N197 F198 V271 K347 Y350	K185-V188 WeakPolarHBondContact O-CB 3.33Å; K185-V188 WeakPolarHBondContact O-CG2 3.21Å; K185-V188 PolarHBondContact O-N 3.15Å; K185-V188 VanDerWaalsContact O-N 3.11Å; S186-V188 PolarHBondContact O-N 2.75Å; V188-N197 PolarHBondContact O-ND2 3Å; V188-F198 HydrophobicContact CG2-CD2 4.14Å; V188-F198 HydrophobicContact CG2-CE2 3.75Å; V188-V271 HydrophobicContact CG1-CG1 3.55Å; V188-K347 HydrophobicContact CB-CG 4.39Å; V188-Y350 HydrophobicContact CG1-CG 4.4Å; V188-Y350 HydrophobicContact CG2-CD1 3.52Å; V188-Y350 HydrophobicContact CG2-CD2 4.48Å; V188-Y350 HydrophobicContact CG2-CE1 4.18Å; V188-Y350 HydrophobicContact CG2-CG 3.7Å
189	V	87.4	Confident	84.2	Confident	21 Å²	21	36.8 Å²	36.8	13%	0.127	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-20.8	-170.7	-60.7	0	0	0	0	113.6	S186 R187 Y227 D343 A346 K347	S186-V189 WeakPolarHBondContact O-CG2 3.42Å; S186-V189 PolarHBondContact O-N 2.91Å; R187-V189 PolarHBondContact O-N 3.43Å; V189-Y227 HydrophobicContact CB-CD1 4.21Å; V189-Y227 HydrophobicContact CB-CE1 3.77Å; V189-Y227 HydrophobicContact CG1-CD1 4.48Å; V189-Y227 HydrophobicContact CG1-CE1 3.84Å; V189-Y227 HydrophobicContact CG1-CE2 4.1Å; V189-D343 HydrophobicContact CB-CB 4.2Å; V189-D343 HydrophobicContact CG1-CB 3.93Å; V189-D343 HydrophobicContact CG2-CB 4.28Å; V189-A346 HydrophobicContact CG1-CB 3.97Å; V189-K347 HydrophobicContact CG1-CD 4.34Å; V189-K347 HydrophobicContact CG1-CG 3.72Å; V189-K347 HydrophobicContact CG2-CD 3.78Å; V189-K347 HydrophobicContact CG2-CG 4.03Å
190	K	81.9	Confident	84.6	Confident	164 Å²	164	34.9 Å²	34.9	71%	0.713	17%	0.172	S	C	*	.			trans	-148.3	135	-178.9	-170.3	173.9	-177.3	176.6	0	111.2	S186 R187	S186-K190 PolarHBondContact O-N 2.9Å; R187-K190 WeakPolarHBondContact CA-O 3.41Å
191	Q	82.1	Confident	85.1	Confident	33 Å²	33	33.7 Å²	33.7	15%	0.154	17%	0.166	C	C	.	.			trans	-125.2	154.9	175.3	-49.7	83.4	31.3	0	0	110.7	R187 E195 N197 Y227	R187-Q191 HydrophobicContact CG-CG 4.32Å; R187-Q191 PolarHBondContact O-NE2 2.84Å; Q191-E195 HydrophobicContact CB-CB 4.41Å; Q191-N197 HydrophobicContact CG-CB 4.26Å; Q191-N197 PolarHBondContact NE2-ND2 3.16Å; Q191-Y227 PolarHBondContact NE2-O 3.07Å; Q191-Y227 PolarHBondContact OE1-O 3.38Å
192	L	75.9	Confident	85.9	Confident	105 Å²	105	33 Å²	33	55%	0.55	16%	0.163	S	C	.	.			trans	-75	158.2	172.8	-65.8	174.3	0	0	0	110.8	G194 E195 N229	L192-G194 PolarHBondContact O-N 3.33Å; L192-E195 HydrophobicContact CB-CG 4.02Å; L192-E195 WeakPolarHBondContact O-CB 3.25Å; L192-E195 PolarHBondContact O-N 3.1Å; L192-N229 PolarHBondContact O-ND2 3.45Å
193	K	77.4	Confident	86.9	Confident	156 Å²	156	32.1 Å²	32.1	68%	0.678	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	131.7	175.3	-168.1	175.1	-175	173.6	0	109.6	E195 E231	K193-E195 VanDerWaalsContact C-N 3.32Å; K193-E231 WeakPolarHBondContact CE-OE1 3.08Å; K193-E231 WeakPolarHBondContact CE-OE2 3.45Å; K193-E231 WeakPolarHBondContact CG-OE2 3.49Å; K193-E231 IonicContact NZ-OE1 3.45Å
194	G	77.9	Confident	87.4	Confident	21 Å²	21	31.2 Å²	31.2	22%	0.216	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-4.4	-175.5	0	0	0	0	0	115.4	K149 L192	K149-G194 PolarHBondContact NZ-O 3.22Å; L192-G194 PolarHBondContact O-N 3.33Å
195	E	83.9	Confident	88	Confident	15 Å²	15	29.9 Å²	29.9	7%	0.07	15%	0.147	C	C	.	.			trans	-101.9	159.2	176.2	-57.5	-157.9	145.6	0	0	112.9	K149 T150 I151 R187 Q191 L192 K193 N229	K149-E195 WeakPolarHBondContact O-CA 3.34Å; T150-E195 WeakPolarHBondContact CA-OE1 3.31Å; T150-E195 VanDerWaalsContact CB-OE1 3.24Å; T150-E195 WeakPolarHBondContact CB-OE1 3.28Å; I151-E195 HydrophobicContact CG1-CG 3.9Å; I151-E195 PolarHBondContact N-OE1 3.43Å; R187-E195 IonicContact CZ-OE2 2.71Å; R187-E195 VanDerWaalsContact CZ-OE2 3.28Å; R187-E195 IonicContact NH1-OE2 3.13Å; R187-E195 PolarHBondContact NH1-OE2 3.41Å; R187-E195 IonicContact NH2-OE2 3.55Å; R187-E195 PolarHBondContact NH2-OE2 2.91Å; Q191-E195 HydrophobicContact CB-CB 4.41Å; L192-E195 HydrophobicContact CB-CG 4.02Å; L192-E195 WeakPolarHBondContact O-CB 3.25Å; L192-E195 PolarHBondContact O-N 3.1Å; K193-E195 VanDerWaalsContact C-N 3.32Å; E195-N229 WeakPolarHBondContact O-CB 3.42Å; E195-N229 PolarHBondContact O-ND2 3.42Å
196	R	89.9	Confident	88.5	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.155	C	C	.	.			trans	-104	162.6	170.3	-77.8	-176.7	148.8	-166.9	-8.4	111.6	K149 R187 Y202 V232 S233 D240	K149-R196 HydrophobicContact CB-CB 4Å; K149-R196 HydrophobicContact CB-CG 4.21Å; K149-R196 PolarHBondContact O-N 2.91Å; R187-R196 PolarHBondContact NH1-O 3Å; R196-Y202 HydrophobicContact CB-CE2 3.64Å; R196-Y202 HydrophobicContact CG-CE1 4.14Å; R196-Y202 HydrophobicContact CG-CE2 3.93Å; R196-V232 HydrophobicContact CG-CB 4.35Å; R196-V232 HydrophobicContact CG-CG1 4.02Å; R196-V232 VanDerWaalsContact CG-O 3.31Å; R196-V232 WeakPolarHBondContact CG-O 3.05Å; R196-V232 PolarHBondContact NE-O 3.15Å; R196-S233 PolarHBondContact NH2-O 3.22Å; R196-D240 IonicContact CZ-OD2 3.89Å; R196-D240 IonicContact NH1-OD1 2.9Å; R196-D240 PolarHBondContact NH1-OD1 2.82Å; R196-D240 IonicContact NH1-OD2 2.89Å; R196-D240 PolarHBondContact NH1-OD2 2.96Å; R196-D240 IonicContact NH2-OD2 3.3Å; R196-D240 PolarHBondContact NH2-OD2 3.12Å
197	N	92.8	Very high	89.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.			trans	-70.6	-175.9	160.4	-152.3	-25.3	0	0	0	110.2	A148 R187 V188 Q191 F201 Y202 Y227 L228	A148-N197 WeakPolarHBondContact CB-O 3.29Å; R187-N197 PolarHBondContact O-OD1 2.99Å; V188-N197 PolarHBondContact O-ND2 3Å; Q191-N197 HydrophobicContact CG-CB 4.26Å; Q191-N197 PolarHBondContact NE2-ND2 3.16Å; N197-F201 HydrophobicContact CB-CD2 4.18Å; N197-Y202 HydrophobicContact CB-CE2 3.95Å; N197-Y202 PolarHBondContact N-OH 2.97Å; N197-Y202 VanDerWaalsContact N-OH 3.15Å; N197-Y227 PolarHBondContact ND2-O 3.03Å; N197-L228 HydrophobicContact CB-CD2 4.06Å
198	F	94.8	Very high	89.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-58.5	145.6	175.5	-65.9	-74.8	0	0	0	112.2	F145 N147 A148 R158 L183 R187 V188 I200 F201 Y202 Y350	F145-F198 WeakPolarHBondContact O-CD1 3.43Å; N147-F198 WeakPolarHBondContact O-CA 3.38Å; A148-F198 HydrophobicContact CB-CD1 4.49Å; R158-F198 HydrophobicContact CB-CE1 4.14Å; L183-F198 HydrophobicContact CD1-CE1 4.04Å; L183-F198 HydrophobicContact CD1-CZ 3.85Å; L183-F198 HydrophobicContact CG-CZ 4.43Å; R187-F198 HydrophobicContact CB-CE2 4.09Å; R187-F198 HydrophobicContact CB-CZ 4.28Å; R187-F198 HydrophobicContact CG-CE2 4.32Å; V188-F198 HydrophobicContact CG2-CD2 4.14Å; V188-F198 HydrophobicContact CG2-CE2 3.75Å; F198-I200 VanDerWaalsContact C-N 3.26Å; F198-I200 HydrophobicContact CB-CG2 4.39Å; F198-I200 PolarHBondContact O-N 3.46Å; F198-F201 HydrophobicContact CB-CD2 4.29Å; F198-F201 HydrophobicContact CB-CE2 4.34Å; F198-F201 PolarHBondContact O-N 2.95Å; F198-Y202 WeakPolarHBondContact O-CD2 3.38Å; F198-Y350 WeakPolarHBondContact CB-OH 3.37Å; F198-Y350 HydrophobicContact CD2-CD1 4.31Å; F198-Y350 AromaticContact CD2-CE1 3.46Å; F198-Y350 HydrophobicContact CD2-CE1 3.46Å; F198-Y350 VanDerWaalsContact CD2-CE1 3.46Å; F198-Y350 HydrophobicContact CD2-CE2 4.49Å; F198-Y350 AromaticContact CD2-CZ 3.57Å; F198-Y350 WeakPolarHBondContact CD2-OH 3.36Å; F198-Y350 HydrophobicContact CE2-CD1 4.21Å; F198-Y350 AromaticContact CE2-CE1 3.61Å; F198-Y350 HydrophobicContact CE2-CE1 3.61Å; F198-Y350 HydrophobicContact CG-CE1 4.04Å; F198-Y350 AromaticContact CG-CZ 3.87Å; F198-Y350 VanDerWaalsContact CG-OH 3.26Å; F198-Y350 WeakPolarHBondContact CG-OH 3.18Å; F198-Y350 HydrophobicContact CZ-CE1 4.28Å
199	H	94.6	Very high	89.6	Confident	3 Å²	3	33 Å²	33	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-34.9	-171.2	-63.1	-43.2	0	0	0	113.4	A144 N147 N154 N155 F201 Y202 Q203	A144-H199 PolarHBondContact O-N 3.23Å; N147-H199 PolarHBondContact O-CD2 3.15Å; N147-H199 PolarHBondContact O-N 3.01Å; N147-H199 VanDerWaalsContact O-N 3.09Å; N154-H199 PolarHBondContact O-CE1 3Å; N154-H199 VanDerWaalsContact O-CE1 3.3Å; N155-H199 PolarHBondContact OD1-NE2 3.41Å; H199-F201 PolarHBondContact O-N 3.14Å; H199-F201 VanDerWaalsContact O-N 3.12Å; H199-Y202 PolarHBondContact O-N 2.81Å; H199-Q203 HydrophobicContact CB-CG 4.43Å; H199-Q203 WeakPolarHBondContact O-CB 3.41Å; H199-Q203 VanDerWaalsContact O-CG 3.26Å; H199-Q203 WeakPolarHBondContact O-CG 3.43Å; H199-Q203 PolarHBondContact O-N 3.32Å
200	I	96.6	Very high	89.8	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-53.6	-35.9	-177.5	-173.8	65.4	0	0	0	112.9	A144 F145 F198 L204 F244 T268 Y350	A144-I200 HydrophobicContact CB-CB 4.26Å; A144-I200 HydrophobicContact CB-CD1 4.33Å; A144-I200 WeakPolarHBondContact O-CB 3.41Å; A144-I200 PolarHBondContact O-N 3.03Å; F145-I200 HydrophobicContact CD1-CB 4.44Å; F145-I200 HydrophobicContact CD1-CG1 4.43Å; F145-I200 HydrophobicContact CD1-CG2 3.95Å; F145-I200 HydrophobicContact CD2-CB 4.41Å; F145-I200 HydrophobicContact CD2-CD1 4.49Å; F145-I200 HydrophobicContact CD2-CG1 4.35Å; F145-I200 HydrophobicContact CE1-CB 4.41Å; F145-I200 HydrophobicContact CE1-CG1 3.92Å; F145-I200 HydrophobicContact CE1-CG2 4.13Å; F145-I200 HydrophobicContact CE2-CB 4.37Å; F145-I200 HydrophobicContact CE2-CD1 3.78Å; F145-I200 HydrophobicContact CE2-CG1 3.82Å; F145-I200 HydrophobicContact CG-CB 4.44Å; F145-I200 HydrophobicContact CG-CG2 4.27Å; F145-I200 HydrophobicContact CZ-CB 4.38Å; F145-I200 HydrophobicContact CZ-CD1 3.91Å; F145-I200 HydrophobicContact CZ-CG1 3.59Å; F198-I200 VanDerWaalsContact C-N 3.26Å; F198-I200 HydrophobicContact CB-CG2 4.39Å; F198-I200 PolarHBondContact O-N 3.46Å; I200-L204 WeakPolarHBondContact O-CB 3.48Å; I200-L204 PolarHBondContact O-N 3.05Å; I200-F244 HydrophobicContact CD1-CE2 4.46Å; I200-T268 HydrophobicContact CG1-CG2 4.21Å; I200-T268 HydrophobicContact CG2-CG2 4.36Å; I200-Y350 HydrophobicContact CG2-CE2 4.18Å
201	F	95.8	Very high	90.3	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-42.8	178.7	-63.3	-67.1	0	0	0	112.1	N197 F198 H199 L205 L228 T268 V271 L272 Y350	N197-F201 HydrophobicContact CB-CD2 4.18Å; F198-F201 HydrophobicContact CB-CD2 4.29Å; F198-F201 HydrophobicContact CB-CE2 4.34Å; F198-F201 PolarHBondContact O-N 2.95Å; H199-F201 PolarHBondContact O-N 3.14Å; H199-F201 VanDerWaalsContact O-N 3.12Å; F201-L205 WeakPolarHBondContact O-CG 3.35Å; F201-L205 PolarHBondContact O-N 3.44Å; F201-L228 HydrophobicContact CB-CD2 3.74Å; F201-L228 HydrophobicContact CG-CD2 4.26Å; F201-T268 HydrophobicContact CD1-CG2 3.91Å; F201-T268 HydrophobicContact CE1-CG2 3.72Å; F201-V271 HydrophobicContact CE1-CB 4.36Å; F201-V271 HydrophobicContact CE1-CG1 4.2Å; F201-V271 HydrophobicContact CZ-CB 4.45Å; F201-V271 HydrophobicContact CZ-CG1 3.88Å; F201-L272 HydrophobicContact CD1-CB 4.23Å; F201-L272 HydrophobicContact CD1-CD1 4.05Å; F201-L272 HydrophobicContact CE1-CB 4.28Å; F201-L272 HydrophobicContact CG-CD1 4.48Å; F201-Y350 HydrophobicContact CE1-CE2 4.43Å; F201-Y350 HydrophobicContact CE2-CD2 4.22Å; F201-Y350 AromaticContact CE2-CE2 3.72Å; F201-Y350 HydrophobicContact CE2-CE2 3.72Å; F201-Y350 AromaticContact CZ-CD2 3.67Å; F201-Y350 HydrophobicContact CZ-CD2 3.67Å; F201-Y350 AromaticContact CZ-CE2 3.52Å; F201-Y350 HydrophobicContact CZ-CE2 3.52Å
202	Y	94.3	Very high	90.8	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-72.8	-40.6	178.6	-58.4	-87.6	0	0	0	111.3	R196 N197 F198 H199 L205 A206 T222 L228	R196-Y202 HydrophobicContact CB-CE2 3.64Å; R196-Y202 HydrophobicContact CG-CE1 4.14Å; R196-Y202 HydrophobicContact CG-CE2 3.93Å; N197-Y202 HydrophobicContact CB-CE2 3.95Å; N197-Y202 PolarHBondContact N-OH 2.97Å; N197-Y202 VanDerWaalsContact N-OH 3.15Å; F198-Y202 WeakPolarHBondContact O-CD2 3.38Å; H199-Y202 PolarHBondContact O-N 2.81Å; Y202-L205 PolarHBondContact O-N 3.03Å; Y202-A206 VanDerWaalsContact O-CB 3.22Å; Y202-A206 WeakPolarHBondContact O-CB 3.09Å; Y202-A206 PolarHBondContact O-N 3.12Å; Y202-T222 HydrophobicContact CD1-CG2 4.27Å; Y202-L228 HydrophobicContact CE1-CD2 4.38Å; Y202-L228 HydrophobicContact CE2-CD2 4.21Å
203	Q	94.9	Very high	91.6	Very high	12 Å²	12	31 Å²	31	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-45.9	175.5	-70.2	174.9	-1.4	0	0	111.6	A144 H199 A206 G207 D240 F244	A144-Q203 VanDerWaalsContact CB-OE1 3.31Å; H199-Q203 HydrophobicContact CB-CG 4.43Å; H199-Q203 WeakPolarHBondContact O-CB 3.41Å; H199-Q203 VanDerWaalsContact O-CG 3.26Å; H199-Q203 WeakPolarHBondContact O-CG 3.43Å; H199-Q203 PolarHBondContact O-N 3.32Å; Q203-A206 PolarHBondContact O-N 3.24Å; Q203-G207 WeakPolarHBondContact O-CA 3.22Å; Q203-G207 PolarHBondContact O-N 3.18Å; Q203-D240 HydrophobicContact CG-CB 4.31Å; Q203-F244 HydrophobicContact CB-CB 3.93Å; Q203-F244 HydrophobicContact CB-CD2 4.03Å; Q203-F244 HydrophobicContact CB-CG 4.43Å; Q203-F244 WeakPolarHBondContact O-CB 3.26Å; Q203-F244 WeakPolarHBondContact O-CG 3.44Å
204	L	95.1	Very high	92.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-51.4	177.4	175	60.9	0	0	0	111.3	I200 A206 A208 L216 L218 F244 L265 T268	I200-L204 WeakPolarHBondContact O-CB 3.48Å; I200-L204 PolarHBondContact O-N 3.05Å; L204-A206 PolarHBondContact O-N 3.45Å; L204-A208 HydrophobicContact CD1-CB 4.01Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 3.37Å; L204-L216 HydrophobicContact CD1-CD1 3.9Å; L204-L216 HydrophobicContact CD2-CD1 4.33Å; L204-L218 HydrophobicContact CD2-CD1 3.69Å; L204-L218 HydrophobicContact CG-CD1 4.2Å; L204-F244 HydrophobicContact CB-CE2 4.14Å; L204-F244 HydrophobicContact CD1-CE2 3.9Å; L204-F244 HydrophobicContact CD1-CZ 3.75Å; L204-L265 HydrophobicContact CD1-CD1 4.39Å; L204-L265 HydrophobicContact CD1-CD2 4.19Å; L204-T268 HydrophobicContact CD2-CG2 4.37Å
205	L	93.9	Very high	92.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-40.9	-178.3	-65.1	-179.4	0	0	0	112.4	F201 Y202 L213 L218 E219 R220 T222 Y225 L228 L272	F201-L205 WeakPolarHBondContact O-CG 3.35Å; F201-L205 PolarHBondContact O-N 3.44Å; Y202-L205 PolarHBondContact O-N 3.03Å; L205-L213 HydrophobicContact CD2-CD2 4.25Å; L205-L218 HydrophobicContact CD2-CB 4.05Å; L205-L218 HydrophobicContact CD2-CD1 4.04Å; L205-E219 WeakPolarHBondContact CD2-O 3.49Å; L205-R220 WeakPolarHBondContact O-CG 3.49Å; L205-R220 PolarHBondContact O-NE 3Å; L205-T222 HydrophobicContact CD1-CG2 3.98Å; L205-Y225 HydrophobicContact CD1-CD2 3.94Å; L205-Y225 HydrophobicContact CD1-CE2 3.72Å; L205-Y225 HydrophobicContact CD2-CE2 4.05Å; L205-L228 HydrophobicContact CD1-CD1 3.61Å; L205-L272 HydrophobicContact CD1-CD2 4.16Å; L205-L272 HydrophobicContact CD2-CD2 4.3Å; L205-L272 HydrophobicContact CG-CD2 4.44Å
206	A	92.8	Very high	93.3	Very high	43 Å²	43	33.3 Å²	33.3	36%	0.355	19%	0.194	S	C	.	.	H	α-helix	trans	-75.2	-40	-178.6	0	0	0	0	0	113.2	Y202 Q203 L204 D240 A241	Y202-A206 VanDerWaalsContact O-CB 3.22Å; Y202-A206 WeakPolarHBondContact O-CB 3.09Å; Y202-A206 PolarHBondContact O-N 3.12Å; Q203-A206 PolarHBondContact O-N 3.24Å; L204-A206 PolarHBondContact O-N 3.45Å; A206-D240 HydrophobicContact CB-CB 3.87Å; A206-A241 HydrophobicContact CB-CB 4.32Å
207	G	92.4	Very high	93.4	Very high	20 Å²	20	36 Å²	36	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-98.6	-24.8	-168.4	0	0	0	0	0	115.8	Q203 F244	Q203-G207 WeakPolarHBondContact O-CA 3.22Å; Q203-G207 PolarHBondContact O-N 3.18Å; G207-F244 VanDerWaalsContact C-CD1 3.49Å
208	A	93.7	Very high	93.4	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	21%	0.209	C	C	.	.	S	Bend	trans	-66.4	142.3	178	0	0	0	0	0	111.5	L204 L212 L213 R220 F244	L204-A208 HydrophobicContact CD1-CB 4.01Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 3.37Å; A208-L212 HydrophobicContact CB-CB 4.34Å; A208-L212 HydrophobicContact CB-CD2 3.79Å; A208-L212 HydrophobicContact CB-CG 4.16Å; A208-L213 HydrophobicContact CB-CD2 3.89Å; A208-L213 HydrophobicContact CB-CG 3.81Å; A208-R220 PolarHBondContact O-NH2 3.1Å; A208-F244 HydrophobicContact CB-CE1 4.16Å; A208-F244 HydrophobicContact CB-CZ 4.49Å
209	D	92.8	Very high	93.2	Very high	90 Å²	90	43.1 Å²	43.1	48%	0.481	24%	0.239	S	C	.	.			trans	-71.4	169.7	174.2	70.1	29.8	0	0	0	111.9	Q211 L212 L213	D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 PolarHBondContact OD1-N 3.08Å; D209-L212 PolarHBondContact O-N 3.03Å; D209-L212 VanDerWaalsContact OD1-CB 3.3Å; D209-L212 WeakPolarHBondContact OD1-CB 3.41Å; D209-L212 PolarHBondContact OD1-N 3.07Å; D209-L213 WeakPolarHBondContact O-CB 3.34Å; D209-L213 WeakPolarHBondContact O-CG 3.49Å; D209-L213 PolarHBondContact O-N 2.82Å
210	A	92.1	Very high	93.1	Very high	76 Å²	76	49.7 Å²	49.7	63%	0.628	26%	0.264	S	S	*	.	H	α-helix	trans	-66.2	-25	-177.6	0	0	0	0	0	113.1	K214	A210-K214 VanDerWaalsContact O-CB 3.28Å; A210-K214 WeakPolarHBondContact O-CB 3.42Å; A210-K214 PolarHBondContact O-N 3.47Å; A210-K214 VanDerWaalsContact O-N 3.16Å
211	Q	93.1	Very high	92.7	Very high	159 Å²	159	53.5 Å²	53.5	74%	0.743	28%	0.284	S	S	*	.	H	α-helix	trans	-75.3	-47	179.6	-67	-176.7	-6.1	0	0	110.4	D209 K214 A215	D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 PolarHBondContact OD1-N 3.08Å; Q211-K214 PolarHBondContact O-N 2.67Å; Q211-A215 WeakPolarHBondContact O-CB 3.25Å; Q211-A215 PolarHBondContact O-N 2.96Å
212	L	92.2	Very high	92.3	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.183	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-45.5	176.6	-178.5	59.2	0	0	0	111.2	A208 D209 K214 A215 L216 F244 L265	A208-L212 HydrophobicContact CB-CB 4.34Å; A208-L212 HydrophobicContact CB-CD2 3.79Å; A208-L212 HydrophobicContact CB-CG 4.16Å; D209-L212 PolarHBondContact O-N 3.03Å; D209-L212 VanDerWaalsContact OD1-CB 3.3Å; D209-L212 WeakPolarHBondContact OD1-CB 3.41Å; D209-L212 PolarHBondContact OD1-N 3.07Å; L212-K214 VanDerWaalsContact C-N 3.3Å; L212-K214 PolarHBondContact O-N 3.37Å; L212-A215 PolarHBondContact O-N 3.43Å; L212-L216 HydrophobicContact CD1-CD1 3.97Å; L212-L216 HydrophobicContact CD1-CG 4.13Å; L212-L216 HydrophobicContact CG-CD1 3.99Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 WeakPolarHBondContact O-CB 3.46Å; L212-L216 VanDerWaalsContact O-CG 3.27Å; L212-L216 WeakPolarHBondContact O-CG 3.32Å; L212-L216 PolarHBondContact O-N 3.16Å; L212-F244 HydrophobicContact CD2-CZ 4.45Å; L212-L265 HydrophobicContact CD2-CD1 4.05Å
213	L	93.7	Very high	91.9	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-41.5	174.9	-73.8	176.2	0	0	0	111.7	L205 A208 D209 L216 K217 L218 R220	L205-L213 HydrophobicContact CD2-CD2 4.25Å; A208-L213 HydrophobicContact CB-CD2 3.89Å; A208-L213 HydrophobicContact CB-CG 3.81Å; D209-L213 WeakPolarHBondContact O-CB 3.34Å; D209-L213 WeakPolarHBondContact O-CG 3.49Å; D209-L213 PolarHBondContact O-N 2.82Å; L213-L216 CarbonylContact O-C 3.55Å; L213-L216 PolarHBondContact O-N 3.47Å; L213-K217 CarbonylContact O-C 3.53Å; L213-K217 WeakPolarHBondContact O-CA 3.49Å; L213-K217 PolarHBondContact O-N 2.95Å; L213-L218 HydrophobicContact CD2-CB 3.83Å; L213-L218 HydrophobicContact CD2-CD1 4.46Å; L213-L218 PolarHBondContact O-N 3.47Å; L213-R220 HydrophobicContact CD1-CB 4.09Å
214	K	92.1	Very high	91.4	Very high	173 Å²	173	58.6 Å²	58.6	75%	0.752	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-40.7	176.2	-172.4	179.2	-179.6	-177	0	112.1	A210 Q211 L212 K217	A210-K214 VanDerWaalsContact O-CB 3.28Å; A210-K214 WeakPolarHBondContact O-CB 3.42Å; A210-K214 PolarHBondContact O-N 3.47Å; A210-K214 VanDerWaalsContact O-N 3.16Å; Q211-K214 PolarHBondContact O-N 2.67Å; L212-K214 VanDerWaalsContact C-N 3.3Å; L212-K214 PolarHBondContact O-N 3.37Å; K214-K217 PolarHBondContact O-N 3.24Å; K214-K217 VanDerWaalsContact O-N 3.12Å
215	A	90.2	Very high	91.2	Very high	64 Å²	64	59 Å²	59	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176.2	0	0	0	0	0	111.9	Q211 L212 K217	Q211-A215 WeakPolarHBondContact O-CB 3.25Å; Q211-A215 PolarHBondContact O-N 2.96Å; L212-A215 PolarHBondContact O-N 3.43Å; A215-K217 PolarHBondContact O-N 2.95Å
216	L	91.8	Very high	91.1	Very high	2 Å²	2	62 Å²	62	1%	0.01	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-3.8	174.9	-60.8	176.2	0	0	0	113.2	L204 L212 L213 L218 L265 E266 K273	L204-L216 HydrophobicContact CD1-CD1 3.9Å; L204-L216 HydrophobicContact CD2-CD1 4.33Å; L212-L216 HydrophobicContact CD1-CD1 3.97Å; L212-L216 HydrophobicContact CD1-CG 4.13Å; L212-L216 HydrophobicContact CG-CD1 3.99Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 WeakPolarHBondContact O-CB 3.46Å; L212-L216 VanDerWaalsContact O-CG 3.27Å; L212-L216 WeakPolarHBondContact O-CG 3.32Å; L212-L216 PolarHBondContact O-N 3.16Å; L213-L216 CarbonylContact O-C 3.55Å; L213-L216 PolarHBondContact O-N 3.47Å; L216-L218 HydrophobicContact CB-CD1 3.98Å; L216-L218 HydrophobicContact CB-CG 3.91Å; L216-L218 HydrophobicContact CD1-CD1 4.2Å; L216-L218 PolarHBondContact O-N 2.89Å; L216-L265 HydrophobicContact CD1-CB 4.28Å; L216-E266 HydrophobicContact CD2-CB 4.25Å; L216-E266 HydrophobicContact CD2-CG 3.58Å; L216-K273 WeakPolarHBondContact O-CE 3.15Å
217	K	91.7	Very high	91.1	Very high	59 Å²	59	60.1 Å²	60.1	26%	0.257	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	32.5	-173	-53.8	176.3	179.7	177.4	0	113.2	L213 K214 A215 K273 E301 E304	L213-K217 CarbonylContact O-C 3.53Å; L213-K217 WeakPolarHBondContact O-CA 3.49Å; L213-K217 PolarHBondContact O-N 2.95Å; K214-K217 PolarHBondContact O-N 3.24Å; K214-K217 VanDerWaalsContact O-N 3.12Å; A215-K217 PolarHBondContact O-N 2.95Å; K217-K273 VanDerWaalsContact O-CE 3.25Å; K217-K273 WeakPolarHBondContact O-CE 3.36Å; K217-K273 PolarHBondContact O-NZ 3.13Å; K217-E301 HydrophobicContact CD-CB 3.94Å; K217-E301 HydrophobicContact CD-CG 3.94Å; K217-E301 PolarHBondContact NZ-O 2.93Å; K217-E304 VanDerWaalsContact NZ-CD 3.29Å; K217-E304 IonicContact NZ-OE2 3.72Å; K217-E304 PolarHBondContact NZ-OE2 3.15Å
218	L	92.8	Very high	91	Very high	10 Å²	10	59.5 Å²	59.5	5%	0.052	33%	0.327	C	S	.	.			trans	-94.8	137.8	179	-65.7	177.5	0	0	0	110.4	L204 L205 L213 L216 Y225 L272 K273	L204-L218 HydrophobicContact CD2-CD1 3.69Å; L204-L218 HydrophobicContact CG-CD1 4.2Å; L205-L218 HydrophobicContact CD2-CB 4.05Å; L205-L218 HydrophobicContact CD2-CD1 4.04Å; L213-L218 HydrophobicContact CD2-CB 3.83Å; L213-L218 HydrophobicContact CD2-CD1 4.46Å; L213-L218 PolarHBondContact O-N 3.47Å; L216-L218 HydrophobicContact CB-CD1 3.98Å; L216-L218 HydrophobicContact CB-CG 3.91Å; L216-L218 HydrophobicContact CD1-CD1 4.2Å; L216-L218 PolarHBondContact O-N 2.89Å; L218-Y225 VanDerWaalsContact CA-OH 3.26Å; L218-Y225 WeakPolarHBondContact CA-OH 3.43Å; L218-Y225 WeakPolarHBondContact CB-OH 3.47Å; L218-Y225 HydrophobicContact CD2-CE1 3.85Å; L218-Y225 WeakPolarHBondContact CD2-OH 3.43Å; L218-L272 HydrophobicContact CD2-CD2 4.15Å; L218-K273 HydrophobicContact CD2-CG 4.19Å
219	E	91.1	Very high	90.4	Very high	139 Å²	139	60.5 Å²	60.5	65%	0.65	33%	0.332	S	S	*	.			trans	-87.2	144.4	162.6	-63	-178	-177.9	0	0	109.7	L205 D221 Y225	L205-E219 WeakPolarHBondContact CD2-O 3.49Å; E219-D221 PolarHBondContact O-N 3.39Å; E219-Y225 PolarHBondContact N-OH 3.35Å; E219-Y225 WeakPolarHBondContact O-CE2 3.26Å; E219-Y225 PolarHBondContact O-OH 3.15Å
220	R	91.1	Very high	89.3	Confident	140 Å²	140	62.3 Å²	62.3	53%	0.528	34%	0.337	S	S	.	.	S	Bend	trans	-70.3	-20.7	-178.4	-179.5	166.7	-74.4	163.6	-3.1	113.1	L205 A208 L213 T222	L205-R220 WeakPolarHBondContact O-CG 3.49Å; L205-R220 PolarHBondContact O-NE 3Å; A208-R220 PolarHBondContact O-NH2 3.1Å; L213-R220 HydrophobicContact CD1-CB 4.09Å; R220-T222 PolarHBondContact O-N 3.16Å
221	D	88.9	Confident	88.3	Confident	81 Å²	81	64.7 Å²	64.7	43%	0.433	34%	0.336	S	S	.	.			trans	-72.9	124.4	-180	-176.4	19.1	0	0	0	111.5	E219 T223 Y225	E219-D221 PolarHBondContact O-N 3.39Å; D221-T223 VanDerWaalsContact C-N 3.27Å; D221-T223 PolarHBondContact O-N 3.45Å; D221-T223 PolarHBondContact OD1-N 2.97Å; D221-T223 VanDerWaalsContact OD1-N 3.08Å; D221-T223 PolarHBondContact OD2-OG1 2.73Å; D221-Y225 WeakPolarHBondContact O-CD2 3.44Å; D221-Y225 VanDerWaalsContact O-CE2 3.28Å; D221-Y225 WeakPolarHBondContact O-CE2 3.42Å
222	T	86.8	Confident	87.4	Confident	17 Å²	17	58.2 Å²	58.2	10%	0.104	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-70.7	-23.3	178.2	52.2	0	0	0	0	112.6	Y202 L205 R220 G224 Y225 L228 S233	Y202-T222 HydrophobicContact CD1-CG2 4.27Å; L205-T222 HydrophobicContact CD1-CG2 3.98Å; R220-T222 PolarHBondContact O-N 3.16Å; T222-G224 PolarHBondContact O-N 2.88Å; T222-Y225 PolarHBondContact O-N 3.3Å; T222-L228 HydrophobicContact CG2-CD1 4.14Å; T222-S233 VanDerWaalsContact OG1-CB 3.28Å; T222-S233 WeakPolarHBondContact OG1-CB 3.42Å
223	T	86.1	Confident	86.4	Confident	66 Å²	66	58.9 Å²	58.9	41%	0.405	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-70.1	-23	-175.3	77.2	0	0	0	0	113.3	D221 Y225 Q230	D221-T223 VanDerWaalsContact C-N 3.27Å; D221-T223 PolarHBondContact O-N 3.45Å; D221-T223 PolarHBondContact OD1-N 2.97Å; D221-T223 VanDerWaalsContact OD1-N 3.08Å; D221-T223 PolarHBondContact OD2-OG1 2.73Å; T223-Y225 PolarHBondContact O-N 2.9Å; T223-Q230 PolarHBondContact O-NE2 3.05Å
224	G	85.6	Confident	85.7	Confident	40 Å²	40	68.8 Å²	68.8	41%	0.412	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-74.7	-1.5	178.7	0	0	0	0	0	115.2	T222 N276	T222-G224 PolarHBondContact O-N 2.88Å; G224-N276 PolarHBondContact O-ND2 3.23Å; G224-N276 PolarHBondContact O-OD1 3.05Å
225	Y	91.5	Very high	85	Confident	11 Å²	11	61.2 Å²	61.2	4%	0.043	32%	0.319	C	S	.	.			trans	-118.4	121	-177.5	-57.6	-77.7	0	0	0	112.7	L205 L218 E219 D221 T222 T223 Y227 L228 L272 N276	L205-Y225 HydrophobicContact CD1-CD2 3.94Å; L205-Y225 HydrophobicContact CD1-CE2 3.72Å; L205-Y225 HydrophobicContact CD2-CE2 4.05Å; L218-Y225 VanDerWaalsContact CA-OH 3.26Å; L218-Y225 WeakPolarHBondContact CA-OH 3.43Å; L218-Y225 WeakPolarHBondContact CB-OH 3.47Å; L218-Y225 HydrophobicContact CD2-CE1 3.85Å; L218-Y225 WeakPolarHBondContact CD2-OH 3.43Å; E219-Y225 PolarHBondContact N-OH 3.35Å; E219-Y225 WeakPolarHBondContact O-CE2 3.26Å; E219-Y225 PolarHBondContact O-OH 3.15Å; D221-Y225 WeakPolarHBondContact O-CD2 3.44Å; D221-Y225 VanDerWaalsContact O-CE2 3.28Å; D221-Y225 WeakPolarHBondContact O-CE2 3.42Å; T222-Y225 PolarHBondContact O-N 3.3Å; T223-Y225 PolarHBondContact O-N 2.9Å; Y225-Y227 PolarHBondContact O-N 3.14Å; Y225-L228 HydrophobicContact CD2-CD1 4.02Å; Y225-L228 HydrophobicContact CG-CD1 4.37Å; Y225-L228 PolarHBondContact O-N 3.31Å; Y225-L228 VanDerWaalsContact O-N 3.08Å; Y225-L272 HydrophobicContact CD1-CD1 4.24Å; Y225-L272 HydrophobicContact CD1-CD2 3.78Å; Y225-L272 HydrophobicContact CD1-CG 3.51Å; Y225-L272 HydrophobicContact CD2-CD2 4.01Å; Y225-L272 HydrophobicContact CD2-CG 4.41Å; Y225-L272 HydrophobicContact CE1-CD2 3.81Å; Y225-L272 HydrophobicContact CE1-CG 3.94Å; Y225-L272 HydrophobicContact CE2-CD2 4.06Å; Y225-L272 HydrophobicContact CG-CD1 4.04Å; Y225-L272 HydrophobicContact CG-CD2 3.85Å; Y225-L272 HydrophobicContact CG-CG 3.75Å; Y225-N276 WeakPolarHBondContact CA-OD1 3.19Å; Y225-N276 WeakPolarHBondContact CD1-ND2 3.47Å
226	A	90.1	Very high	84.1	Confident	64 Å²	64	65.6 Å²	65.6	53%	0.529	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.2	-177.5	0	0	0	0	0	114.1	L228 G275 N276	A226-L228 VanDerWaalsContact C-N 3.32Å; A226-G275 WeakPolarHBondContact CB-O 3.49Å; A226-N276 PolarHBondContact N-OD1 2.96Å
227	Y	92.6	Very high	83	Confident	4 Å²	4	70 Å²	70	2%	0.016	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.5	177.7	-69.2	-17.5	0	0	0	113.9	V189 Q191 N197 Y225 V271 L274 G275 D343 A346	V189-Y227 HydrophobicContact CB-CD1 4.21Å; V189-Y227 HydrophobicContact CB-CE1 3.77Å; V189-Y227 HydrophobicContact CG1-CD1 4.48Å; V189-Y227 HydrophobicContact CG1-CE1 3.84Å; V189-Y227 HydrophobicContact CG1-CE2 4.1Å; Q191-Y227 PolarHBondContact NE2-O 3.07Å; Q191-Y227 PolarHBondContact OE1-O 3.38Å; N197-Y227 PolarHBondContact ND2-O 3.03Å; Y225-Y227 PolarHBondContact O-N 3.14Å; Y227-V271 VanDerWaalsContact CD2-O 3.31Å; Y227-V271 WeakPolarHBondContact CD2-O 3.42Å; Y227-V271 WeakPolarHBondContact CE2-O 3.33Å; Y227-L274 HydrophobicContact CE2-CB 4.47Å; Y227-G275 VanDerWaalsContact CE2-N 3.27Å; Y227-D343 PolarHBondContact OH-OD1 3.46Å; Y227-A346 HydrophobicContact CE2-CB 3.62Å
228	L	91.1	Very high	82.4	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.031	38%	0.379	C	S	.	.	S	Bend	trans	-108.3	140.5	173.2	-57.1	-177.6	0	0	0	110.3	N197 F201 Y202 L205 T222 Y225 A226 Q230 L272	N197-L228 HydrophobicContact CB-CD2 4.06Å; F201-L228 HydrophobicContact CB-CD2 3.74Å; F201-L228 HydrophobicContact CG-CD2 4.26Å; Y202-L228 HydrophobicContact CE1-CD2 4.38Å; Y202-L228 HydrophobicContact CE2-CD2 4.21Å; L205-L228 HydrophobicContact CD1-CD1 3.61Å; T222-L228 HydrophobicContact CG2-CD1 4.14Å; Y225-L228 HydrophobicContact CD2-CD1 4.02Å; Y225-L228 HydrophobicContact CG-CD1 4.37Å; Y225-L228 PolarHBondContact O-N 3.31Å; Y225-L228 VanDerWaalsContact O-N 3.08Å; A226-L228 VanDerWaalsContact C-N 3.32Å; L228-Q230 PolarHBondContact O-N 3.34Å; L228-L272 HydrophobicContact CD1-CD1 3.97Å; L228-L272 HydrophobicContact CD1-CD2 4.44Å; L228-L272 HydrophobicContact CD2-CD1 3.87Å; L228-L272 HydrophobicContact CG-CD1 3.69Å
229	N	80.2	Confident	82.2	Confident	23 Å²	23	73 Å²	73	12%	0.123	40%	0.399	C	S	.	.			trans	-73.4	120.1	175.3	-166.2	-21.8	0	0	0	110.8	L192 E195 E231	L192-N229 PolarHBondContact O-ND2 3.45Å; E195-N229 WeakPolarHBondContact O-CB 3.42Å; E195-N229 PolarHBondContact O-ND2 3.42Å; N229-E231 VanDerWaalsContact C-N 3.33Å; N229-E231 PolarHBondContact O-N 2.73Å; N229-E231 PolarHBondContact OD1-N 2.86Å; N229-E231 VanDerWaalsContact OD1-N 3.11Å
230	Q	71.6	Confident	82.3	Confident	128 Å²	128	67 Å²	67	60%	0.598	37%	0.372	S	S	*	.	S	Bend	trans	-69	-28.8	-178.3	-62.8	179.8	-15.3	0	0	113	T223 L228	T223-Q230 PolarHBondContact O-NE2 3.05Å; L228-Q230 PolarHBondContact O-N 3.34Å
231	E	70.5	Confident	82.3	Confident	126 Å²	126	61.4 Å²	61.4	59%	0.589	36%	0.355	S	S	*	.	S	Bend	trans	-80.6	-24.8	-176.6	-64.7	-176.2	168.9	0	0	113	K193 N229	K193-E231 WeakPolarHBondContact CE-OE1 3.08Å; K193-E231 WeakPolarHBondContact CE-OE2 3.45Å; K193-E231 WeakPolarHBondContact CG-OE2 3.49Å; K193-E231 IonicContact NZ-OE1 3.45Å; N229-E231 VanDerWaalsContact C-N 3.33Å; N229-E231 PolarHBondContact O-N 2.73Å; N229-E231 PolarHBondContact OD1-N 2.86Å; N229-E231 VanDerWaalsContact OD1-N 3.11Å
232	V	73.7	Confident	82.5	Confident	24 Å²	24	59.8 Å²	59.8	15%	0.145	35%	0.35	C	S	.	.			trans	-125.1	63	-171.8	-166.1	0	0	0	0	110.8	K149 R196	K149-V232 HydrophobicContact CD-CG1 4.35Å; R196-V232 HydrophobicContact CG-CB 4.35Å; R196-V232 HydrophobicContact CG-CG1 4.02Å; R196-V232 VanDerWaalsContact CG-O 3.31Å; R196-V232 WeakPolarHBondContact CG-O 3.05Å; R196-V232 PolarHBondContact NE-O 3.15Å
233	S	72.1	Confident	82.8	Confident	49 Å²	49	60.5 Å²	60.5	34%	0.343	36%	0.355	S	S	.	.	S	Bend	trans	-86.2	-8.2	-179.8	66	0	0	0	0	114.4	R196 T222	R196-S233 PolarHBondContact NH2-O 3.22Å; T222-S233 VanDerWaalsContact OG1-CB 3.28Å; T222-S233 WeakPolarHBondContact OG1-CB 3.42Å
234	R	78.1	Confident	83.3	Confident	218 Å²	218	57.4 Å²	57.4	82%	0.823	34%	0.336	S	S	*	.			trans	-139.9	150	173	-68.1	-170.1	-179.7	-162.4	0.3	111.2
235	V	78.1	Confident	83.7	Confident	14 Å²	14	62.7 Å²	62.7	9%	0.085	34%	0.344	C	S	.	.			trans	-122.4	126.1	176.6	177.8	0	0	0	0	108.8	K149 N154 G237 L238	K149-V235 HydrophobicContact CB-CG2 4.22Å; K149-V235 HydrophobicContact CG-CG2 4.01Å; N154-V235 HydrophobicContact CB-CG1 3.88Å; V235-G237 PolarHBondContact O-N 3.4Å; V235-L238 HydrophobicContact CB-CB 4.23Å; V235-L238 HydrophobicContact CG1-CB 4.27Å; V235-L238 PolarHBondContact O-N 3.18Å
236	D	69.7	Low	83.7	Confident	156 Å²	156	64.6 Å²	64.6	83%	0.834	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	128.8	179.5	-71.6	-28.3	0	0	0	111.4	L238	D236-L238 VanDerWaalsContact C-N 3.33Å
237	G	70.4	Confident	83.9	Confident	96 Å²	96	61.8 Å²	61.8	99%	0.99	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-0.2	-179.3	0	0	0	0	0	115.5	V235	V235-G237 PolarHBondContact O-N 3.4Å
238	L	78.8	Confident	83.9	Confident	43 Å²	43	64.8 Å²	64.8	23%	0.225	35%	0.352	C	S	.	.			trans	-116.2	113.3	175.8	-162.8	151.5	0	0	0	110.3	V235 D236 D240	V235-L238 HydrophobicContact CB-CB 4.23Å; V235-L238 HydrophobicContact CG1-CB 4.27Å; V235-L238 PolarHBondContact O-N 3.18Å; D236-L238 VanDerWaalsContact C-N 3.33Å; L238-D240 HydrophobicContact CD2-CB 4.47Å; L238-D240 WeakPolarHBondContact CD2-OD1 3.22Å; L238-D240 PolarHBondContact O-N 3.34Å
239	D	89.1	Confident	84	Confident	88 Å²	88	68 Å²	68	47%	0.471	38%	0.375	S	S	.	.			trans	-92	97.5	173.1	177.2	1.2	0	0	0	109.5	A241 S242 S243	D239-A241 PolarHBondContact O-N 3.33Å; D239-A241 WeakPolarHBondContact OD1-CB 3.46Å; D239-A241 PolarHBondContact OD1-N 2.87Å; D239-S242 WeakPolarHBondContact CB-OG 3.15Å; D239-S242 PolarHBondContact O-N 3.22Å; D239-S242 PolarHBondContact O-OG 3.07Å; D239-S242 PolarHBondContact OD1-N 3.02Å; D239-S242 WeakPolarHBondContact OD2-CB 3.4Å; D239-S242 PolarHBondContact OD2-OG 3.32Å; D239-S243 WeakPolarHBondContact O-CB 3.42Å; D239-S243 PolarHBondContact O-N 3.48Å; D239-S243 PolarHBondContact O-OG 3.4Å
240	D	91.6	Very high	84.6	Confident	14 Å²	14	66.9 Å²	66.9	8%	0.075	37%	0.369	C	S	.	.	H	α-helix	trans	-57.1	-34.5	179.4	-76.4	-49.5	0	0	0	112.1	R196 Q203 A206 L238 S243 F244	R196-D240 IonicContact CZ-OD2 3.89Å; R196-D240 IonicContact NH1-OD1 2.9Å; R196-D240 PolarHBondContact NH1-OD1 2.82Å; R196-D240 IonicContact NH1-OD2 2.89Å; R196-D240 PolarHBondContact NH1-OD2 2.96Å; R196-D240 IonicContact NH2-OD2 3.3Å; R196-D240 PolarHBondContact NH2-OD2 3.12Å; Q203-D240 HydrophobicContact CG-CB 4.31Å; A206-D240 HydrophobicContact CB-CB 3.87Å; L238-D240 HydrophobicContact CD2-CB 4.47Å; L238-D240 WeakPolarHBondContact CD2-OD1 3.22Å; L238-D240 PolarHBondContact O-N 3.34Å; D240-S243 PolarHBondContact O-N 2.69Å; D240-F244 WeakPolarHBondContact O-CB 3.35Å; D240-F244 PolarHBondContact O-N 2.85Å
241	A	92.2	Very high	85.6	Confident	21 Å²	21	61 Å²	61	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-73.6	-41	-179.7	0	0	0	0	0	112.2	A206 D239 S243 R245	A206-A241 HydrophobicContact CB-CB 4.32Å; D239-A241 PolarHBondContact O-N 3.33Å; D239-A241 WeakPolarHBondContact OD1-CB 3.46Å; D239-A241 PolarHBondContact OD1-N 2.87Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-R245 PolarHBondContact O-N 2.97Å
242	S	93.1	Very high	86.5	Confident	47 Å²	47	57.7 Å²	57.7	33%	0.329	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-38.7	172	75.4	0	0	0	0	112.1	D239 R245 A246	D239-S242 WeakPolarHBondContact CB-OG 3.15Å; D239-S242 PolarHBondContact O-N 3.22Å; D239-S242 PolarHBondContact O-OG 3.07Å; D239-S242 PolarHBondContact OD1-N 3.02Å; D239-S242 WeakPolarHBondContact OD2-CB 3.4Å; D239-S242 PolarHBondContact OD2-OG 3.32Å; S242-R245 PolarHBondContact O-N 3.4Å; S242-A246 PolarHBondContact O-N 3.23Å
243	S	93.1	Very high	87.2	Confident	32 Å²	32	59.8 Å²	59.8	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-39.5	179.7	-57.6	0	0	0	0	111	D239 D240 A241 R245 A246 V247	D239-S243 WeakPolarHBondContact O-CB 3.42Å; D239-S243 PolarHBondContact O-N 3.48Å; D239-S243 PolarHBondContact O-OG 3.4Å; D240-S243 PolarHBondContact O-N 2.69Å; A241-S243 VanDerWaalsContact C-N 3.32Å; S243-R245 PolarHBondContact O-N 2.97Å; S243-A246 WeakPolarHBondContact O-CB 3.44Å; S243-A246 PolarHBondContact O-N 2.91Å; S243-A246 VanDerWaalsContact O-N 3.15Å; S243-V247 WeakPolarHBondContact O-CG2 3.45Å; S243-V247 PolarHBondContact O-N 2.72Å
244	F	95.3	Very high	88	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-45.7	174.1	-172.1	-112.8	0	0	0	112.5	I200 Q203 L204 G207 A208 L212 D240 A246 V247 Q248 L265	I200-F244 HydrophobicContact CD1-CE2 4.46Å; Q203-F244 HydrophobicContact CB-CB 3.93Å; Q203-F244 HydrophobicContact CB-CD2 4.03Å; Q203-F244 HydrophobicContact CB-CG 4.43Å; Q203-F244 WeakPolarHBondContact O-CB 3.26Å; Q203-F244 WeakPolarHBondContact O-CG 3.44Å; L204-F244 HydrophobicContact CB-CE2 4.14Å; L204-F244 HydrophobicContact CD1-CE2 3.9Å; L204-F244 HydrophobicContact CD1-CZ 3.75Å; G207-F244 VanDerWaalsContact C-CD1 3.49Å; A208-F244 HydrophobicContact CB-CE1 4.16Å; A208-F244 HydrophobicContact CB-CZ 4.49Å; L212-F244 HydrophobicContact CD2-CZ 4.45Å; D240-F244 WeakPolarHBondContact O-CB 3.35Å; D240-F244 PolarHBondContact O-N 2.85Å; F244-A246 VanDerWaalsContact C-N 3.28Å; F244-A246 PolarHBondContact O-N 3.27Å; F244-V247 WeakPolarHBondContact O-CB 3.44Å; F244-V247 PolarHBondContact O-N 2.78Å; F244-V247 VanDerWaalsContact O-N 3.14Å; F244-Q248 HydrophobicContact CD1-CG 4.48Å; F244-Q248 VanDerWaalsContact CE1-CD 3.47Å; F244-Q248 HydrophobicContact CE1-CG 4.13Å; F244-Q248 HydrophobicContact CZ-CG 4.18Å; F244-Q248 PolarHBondContact O-N 3.43Å; F244-L265 HydrophobicContact CE2-CD1 4.49Å; F244-L265 HydrophobicContact CE2-CD2 4.08Å; F244-L265 HydrophobicContact CZ-CD1 3.93Å; F244-L265 HydrophobicContact CZ-CD2 4.34Å
245	R	93.8	Very high	88.5	Confident	151 Å²	151	49 Å²	49	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-61	-39	175	-71.1	-173.8	-70.9	-119.1	-1.9	112	A241 S242 S243 Q248 S249	A241-R245 PolarHBondContact O-N 2.97Å; S242-R245 PolarHBondContact O-N 3.4Å; S243-R245 PolarHBondContact O-N 2.97Å; R245-Q248 PolarHBondContact O-N 2.86Å; R245-S249 WeakPolarHBondContact O-CB 3.46Å; R245-S249 PolarHBondContact O-N 3.1Å
246	A	92.8	Very high	89.2	Confident	50 Å²	50	48.9 Å²	48.9	41%	0.413	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-38.9	175.5	0	0	0	0	0	112	S242 S243 F244 S249 A250	S242-A246 PolarHBondContact O-N 3.23Å; S243-A246 WeakPolarHBondContact O-CB 3.44Å; S243-A246 PolarHBondContact O-N 2.91Å; S243-A246 VanDerWaalsContact O-N 3.15Å; F244-A246 VanDerWaalsContact C-N 3.28Å; F244-A246 PolarHBondContact O-N 3.27Å; A246-S249 PolarHBondContact O-N 2.87Å; A246-A250 VanDerWaalsContact O-CB 3.23Å; A246-A250 WeakPolarHBondContact O-CB 3.16Å; A246-A250 PolarHBondContact O-N 3.3Å
247	V	94.4	Very high	90.4	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-46.1	175.2	173	0	0	0	0	111.2	A144 S243 F244 A250 M251	A144-V247 HydrophobicContact CB-CG1 4.32Å; A144-V247 HydrophobicContact CB-CG2 3.62Å; S243-V247 WeakPolarHBondContact O-CG2 3.45Å; S243-V247 PolarHBondContact O-N 2.72Å; F244-V247 WeakPolarHBondContact O-CB 3.44Å; F244-V247 PolarHBondContact O-N 2.78Å; F244-V247 VanDerWaalsContact O-N 3.14Å; V247-A250 PolarHBondContact O-N 2.87Å; V247-M251 HydrophobicContact CG1-CE 4.32Å; V247-M251 HydrophobicContact CG1-SD 4.4Å; V247-M251 WeakPolarHBondContact O-CG 3.4Å; V247-M251 PolarHBondContact O-N 3.47Å
248	Q	92.8	Very high	91.5	Very high	67 Å²	67	47 Å²	47	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-45.5	176.4	-69.3	-176.8	-66.6	0	0	111.5	F244 R245 A250 M251 A252	F244-Q248 HydrophobicContact CD1-CG 4.48Å; F244-Q248 VanDerWaalsContact CE1-CD 3.47Å; F244-Q248 HydrophobicContact CE1-CG 4.13Å; F244-Q248 HydrophobicContact CZ-CG 4.18Å; F244-Q248 PolarHBondContact O-N 3.43Å; R245-Q248 PolarHBondContact O-N 2.86Å; Q248-A250 VanDerWaalsContact C-N 3.31Å; Q248-A250 PolarHBondContact O-N 3.2Å; Q248-M251 PolarHBondContact O-N 2.86Å; Q248-A252 PolarHBondContact O-N 2.94Å
249	S	92.6	Very high	92.2	Very high	73 Å²	73	50.6 Å²	50.6	51%	0.51	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.7	-173.3	0	0	0	0	111.9	R245 A246 A252 V253	R245-S249 WeakPolarHBondContact O-CB 3.46Å; R245-S249 PolarHBondContact O-N 3.1Å; A246-S249 PolarHBondContact O-N 2.87Å; S249-A252 PolarHBondContact O-N 3.43Å; S249-V253 VanDerWaalsContact O-CG2 3.29Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 2.79Å
250	A	92.4	Very high	92.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-44.4	178	0	0	0	0	0	111.7	Q137 P140 V141 A246 V247 Q248 A252 V253 I254	Q137-A250 WeakPolarHBondContact O-CB 3.47Å; P140-A250 HydrophobicContact CB-CB 4.09Å; P140-A250 HydrophobicContact CG-CB 4.37Å; V141-A250 HydrophobicContact CG2-CB 3.89Å; A246-A250 VanDerWaalsContact O-CB 3.23Å; A246-A250 WeakPolarHBondContact O-CB 3.16Å; A246-A250 PolarHBondContact O-N 3.3Å; V247-A250 PolarHBondContact O-N 2.87Å; Q248-A250 VanDerWaalsContact C-N 3.31Å; Q248-A250 PolarHBondContact O-N 3.2Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 3.41Å; A250-V253 PolarHBondContact O-N 3.38Å; A250-I254 VanDerWaalsContact O-CD1 3.31Å; A250-I254 WeakPolarHBondContact O-CD1 3.35Å; A250-I254 WeakPolarHBondContact O-CG1 3.47Å; A250-I254 PolarHBondContact O-N 2.86Å
251	M	92.9	Very high	92.6	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-44.3	174.5	-74.6	-177	163.7	0	0	111.4	V141 F145 V247 Q248 V253 I254 G255 F256 I261 V264	V141-M251 HydrophobicContact CG1-CE 3.67Å; V141-M251 HydrophobicContact CG1-CG 4.31Å; V141-M251 HydrophobicContact CG2-CG 3.69Å; F145-M251 HydrophobicContact CE2-CE 3.69Å; F145-M251 HydrophobicContact CZ-CE 4.26Å; V247-M251 HydrophobicContact CG1-CE 4.32Å; V247-M251 HydrophobicContact CG1-SD 4.4Å; V247-M251 WeakPolarHBondContact O-CG 3.4Å; V247-M251 PolarHBondContact O-N 3.47Å; Q248-M251 PolarHBondContact O-N 2.86Å; M251-V253 PolarHBondContact O-N 3.49Å; M251-I254 PolarHBondContact O-N 3.35Å; M251-G255 PolarHBondContact O-N 3.17Å; M251-F256 HydrophobicContact CB-CB 4.15Å; M251-F256 HydrophobicContact CB-CD2 4.17Å; M251-F256 HydrophobicContact CB-CG 4.2Å; M251-F256 HydrophobicContact CG-CD2 4.45Å; M251-F256 WeakPolarHBondContact O-CB 3.32Å; M251-F256 WeakPolarHBondContact O-CD2 3.21Å; M251-F256 PolarHBondContact O-N 3.3Å; M251-I261 HydrophobicContact CB-CD1 3.8Å; M251-I261 HydrophobicContact CB-CG1 3.93Å; M251-I261 HydrophobicContact SD-CG1 4.06Å; M251-I261 HydrophobicContact SD-CG2 4.27Å; M251-V264 HydrophobicContact CE-CG1 4.19Å
252	A	90.6	Very high	92.6	Very high	58 Å²	58	52 Å²	52	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.6	0	0	0	0	0	112.6	Q248 S249 A250 G255	Q248-A252 PolarHBondContact O-N 2.94Å; S249-A252 PolarHBondContact O-N 3.43Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 3.41Å; A252-G255 PolarHBondContact O-N 3.15Å; A252-G255 VanDerWaalsContact O-N 3.17Å
253	V	88.2	Confident	92.7	Very high	68 Å²	68	51.9 Å²	51.9	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-68.1	-35.5	179.6	172.1	0	0	0	0	112.6	Q137 S249 A250 M251 G255	Q137-V253 HydrophobicContact CB-CG1 4.43Å; Q137-V253 HydrophobicContact CG-CG1 4Å; S249-V253 VanDerWaalsContact O-CG2 3.29Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 2.79Å; A250-V253 PolarHBondContact O-N 3.38Å; M251-V253 PolarHBondContact O-N 3.49Å; V253-G255 PolarHBondContact O-N 2.91Å
254	I	88.5	Confident	92.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-24.3	175.4	-62.7	158.6	0	0	0	111	Q137 V141 A250 M251 F256 I361 S364	Q137-I254 HydrophobicContact CB-CG1 4.32Å; V141-I254 HydrophobicContact CG2-CD1 3.95Å; A250-I254 VanDerWaalsContact O-CD1 3.31Å; A250-I254 WeakPolarHBondContact O-CD1 3.35Å; A250-I254 WeakPolarHBondContact O-CG1 3.47Å; A250-I254 PolarHBondContact O-N 2.86Å; M251-I254 PolarHBondContact O-N 3.35Å; I254-F256 HydrophobicContact CB-CD2 4.26Å; I254-F256 HydrophobicContact CB-CE2 4.36Å; I254-F256 HydrophobicContact CG2-CD2 4.25Å; I254-F256 HydrophobicContact CG2-CE2 3.99Å; I254-I361 HydrophobicContact CG2-CB 4.43Å; I254-I361 HydrophobicContact CG2-CG1 4.15Å; I254-I361 HydrophobicContact CG2-CG2 4.23Å; I254-S364 WeakPolarHBondContact CG2-OG 3.34Å; I254-S364 VanDerWaalsContact O-CB 3.29Å; I254-S364 WeakPolarHBondContact O-CB 3.36Å
255	G	88.1	Confident	92.9	Very high	39 Å²	39	50.6 Å²	50.6	40%	0.402	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	108	27.5	174.8	0	0	0	0	0	114.1	M251 A252 V253 R360	M251-G255 PolarHBondContact O-N 3.17Å; A252-G255 PolarHBondContact O-N 3.15Å; A252-G255 VanDerWaalsContact O-N 3.17Å; V253-G255 PolarHBondContact O-N 2.91Å; G255-R360 PolarHBondContact O-NH2 3.32Å
256	F	93.4	Very high	92.9	Very high	11 Å²	11	45 Å²	45	5%	0.048	26%	0.258	C	S	.	.			trans	-72.9	137.1	165.9	-72.1	-108.3	0	0	0	109.8	M251 I254 E260 I261 W356 I357 R360 I361	M251-F256 HydrophobicContact CB-CB 4.15Å; M251-F256 HydrophobicContact CB-CD2 4.17Å; M251-F256 HydrophobicContact CB-CG 4.2Å; M251-F256 HydrophobicContact CG-CD2 4.45Å; M251-F256 WeakPolarHBondContact O-CB 3.32Å; M251-F256 WeakPolarHBondContact O-CD2 3.21Å; M251-F256 PolarHBondContact O-N 3.3Å; I254-F256 HydrophobicContact CB-CD2 4.26Å; I254-F256 HydrophobicContact CB-CE2 4.36Å; I254-F256 HydrophobicContact CG2-CD2 4.25Å; I254-F256 HydrophobicContact CG2-CE2 3.99Å; F256-E260 WeakPolarHBondContact CA-OE2 3.37Å; F256-E260 HydrophobicContact CD1-CB 4.29Å; F256-I261 HydrophobicContact CB-CD1 4.22Å; F256-I261 HydrophobicContact CB-CG1 3.8Å; F256-W356 HydrophobicContact CD1-CZ3 4.47Å; F256-W356 HydrophobicContact CE1-CH2 4.24Å; F256-W356 AromaticContact CE1-CZ3 3.84Å; F256-W356 HydrophobicContact CE1-CZ3 3.84Å; F256-I357 HydrophobicContact CZ-CG2 4.3Å; F256-R360 HydrophobicContact CD1-CG 4.06Å; F256-R360 HydrophobicContact CE1-CB 4Å; F256-R360 HydrophobicContact CE1-CG 3.49Å; F256-R360 VanDerWaalsContact CE1-CG 3.49Å; F256-R360 HydrophobicContact CE2-CG 4.28Å; F256-R360 HydrophobicContact CZ-CB 3.9Å; F256-R360 HydrophobicContact CZ-CG 3.61Å; F256-I361 HydrophobicContact CE2-CG1 3.86Å; F256-I361 HydrophobicContact CZ-CG1 4.01Å
257	S	94.4	Very high	93	Very high	44 Å²	44	42.7 Å²	42.7	31%	0.308	24%	0.238	S	C	.	.			trans	-73.6	159.3	172.3	91.5	0	0	0	0	111.3	E259 E260 I261	S257-E259 VanDerWaalsContact CB-OE2 3.26Å; S257-E259 WeakPolarHBondContact CB-OE2 3.45Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-E259 PolarHBondContact OG-N 2.79Å; S257-E259 PolarHBondContact OG-OE2 3.47Å; S257-E260 PolarHBondContact N-OE2 3.37Å; S257-E260 PolarHBondContact O-N 2.92Å; S257-E260 VanDerWaalsContact O-N 3.14Å; S257-E260 PolarHBondContact OG-N 3.21Å; S257-E260 VanDerWaalsContact OG-N 3.1Å; S257-I261 WeakPolarHBondContact O-CG1 3.46Å; S257-I261 PolarHBondContact O-N 3.36Å
258	E	92.8	Very high	93.1	Very high	167 Å²	167	42.4 Å²	42.4	78%	0.78	24%	0.237	S	C	*	.	H	α-helix	trans	-59.4	-35.7	175.9	-68.9	-171.8	173	0	0	111.3	I261 Q262	E258-I261 PolarHBondContact O-N 3.37Å; E258-Q262 WeakPolarHBondContact O-CB 3.46Å; E258-Q262 PolarHBondContact O-N 2.97Å
259	E	93.5	Very high	93.2	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	22%	0.222	S	C	*	.	H	α-helix	trans	-67.3	-41.2	174.9	-54.8	82.9	-179.9	0	0	112.2	S257 Q262 Q263	S257-E259 VanDerWaalsContact CB-OE2 3.26Å; S257-E259 WeakPolarHBondContact CB-OE2 3.45Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-E259 PolarHBondContact OG-N 2.79Å; S257-E259 PolarHBondContact OG-OE2 3.47Å; E259-Q262 PolarHBondContact O-N 3.41Å; E259-Q263 WeakPolarHBondContact O-CB 3.47Å; E259-Q263 VanDerWaalsContact O-CG 3.26Å; E259-Q263 WeakPolarHBondContact O-CG 3.4Å; E259-Q263 PolarHBondContact O-N 2.89Å
260	E	94.8	Very high	93.2	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.187	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-42.8	175.7	-71.4	179	133.5	0	0	111.4	F256 S257 Q262 Q263 V264 W356 R360	F256-E260 WeakPolarHBondContact CA-OE2 3.37Å; F256-E260 HydrophobicContact CD1-CB 4.29Å; S257-E260 PolarHBondContact N-OE2 3.37Å; S257-E260 PolarHBondContact O-N 2.92Å; S257-E260 VanDerWaalsContact O-N 3.14Å; S257-E260 PolarHBondContact OG-N 3.21Å; S257-E260 VanDerWaalsContact OG-N 3.1Å; E260-Q262 VanDerWaalsContact C-N 3.33Å; E260-Q262 PolarHBondContact O-N 3.46Å; E260-Q263 PolarHBondContact O-N 2.99Å; E260-V264 WeakPolarHBondContact O-CG2 3.31Å; E260-V264 PolarHBondContact O-N 3.34Å; E260-W356 HydrophobicContact CB-CH2 4.47Å; E260-R360 IonicContact OE1-CZ 3.67Å; E260-R360 IonicContact OE1-NE 3.26Å; E260-R360 PolarHBondContact OE1-NE 3.31Å; E260-R360 IonicContact OE1-NH2 3.38Å; E260-R360 PolarHBondContact OE1-NH2 3.13Å; E260-R360 IonicContact OE2-CZ 3.97Å; E260-R360 IonicContact OE2-NE 2.67Å; E260-R360 PolarHBondContact OE2-NE 3.08Å; E260-R360 IonicContact OE2-NH2 3.04Å; E260-R360 PolarHBondContact OE2-NH2 2.82Å
261	I	94.4	Very high	93.4	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.097	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-46.9	175.8	-65.5	170.5	0	0	0	109.5	M251 F256 S257 E258 Q263 V264 L265	M251-I261 HydrophobicContact CB-CD1 3.8Å; M251-I261 HydrophobicContact CB-CG1 3.93Å; M251-I261 HydrophobicContact SD-CG1 4.06Å; M251-I261 HydrophobicContact SD-CG2 4.27Å; F256-I261 HydrophobicContact CB-CD1 4.22Å; F256-I261 HydrophobicContact CB-CG1 3.8Å; S257-I261 WeakPolarHBondContact O-CG1 3.46Å; S257-I261 PolarHBondContact O-N 3.36Å; E258-I261 PolarHBondContact O-N 3.37Å; I261-Q263 PolarHBondContact O-N 2.63Å; I261-V264 PolarHBondContact O-N 2.85Å; I261-L265 HydrophobicContact CG2-CD1 4.27Å; I261-L265 WeakPolarHBondContact O-CG 3.45Å; I261-L265 PolarHBondContact O-N 3.25Å
262	Q	93.3	Very high	93.4	Very high	94 Å²	94	35.6 Å²	35.6	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-59	-47.3	177.3	-178.8	175.1	-15.5	0	0	111.7	E258 E259 E260 V264 L265 E266	E258-Q262 WeakPolarHBondContact O-CB 3.46Å; E258-Q262 PolarHBondContact O-N 2.97Å; E259-Q262 PolarHBondContact O-N 3.41Å; E260-Q262 VanDerWaalsContact C-N 3.33Å; E260-Q262 PolarHBondContact O-N 3.46Å; Q262-V264 VanDerWaalsContact C-N 3.32Å; Q262-V264 PolarHBondContact O-N 3Å; Q262-L265 PolarHBondContact O-N 3.41Å; Q262-L265 VanDerWaalsContact O-N 3.11Å; Q262-E266 HydrophobicContact CG-CG 4.36Å; Q262-E266 VanDerWaalsContact CG-OE1 3.32Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.42Å; Q262-E266 PolarHBondContact NE2-OE1 3.48Å; Q262-E266 WeakPolarHBondContact O-CG 3.34Å; Q262-E266 PolarHBondContact O-N 2.9Å
263	Q	94.9	Very high	93.5	Very high	45 Å²	45	33.4 Å²	33.4	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-39.6	177.7	-73.1	176.1	35.6	0	0	112.5	E259 E260 I261 L265 E266 V267 H540 L542	E259-Q263 WeakPolarHBondContact O-CB 3.47Å; E259-Q263 VanDerWaalsContact O-CG 3.26Å; E259-Q263 WeakPolarHBondContact O-CG 3.4Å; E259-Q263 PolarHBondContact O-N 2.89Å; E260-Q263 PolarHBondContact O-N 2.99Å; I261-Q263 PolarHBondContact O-N 2.63Å; Q263-L265 VanDerWaalsContact C-N 3.35Å; Q263-E266 PolarHBondContact O-N 2.89Å; Q263-V267 WeakPolarHBondContact O-CG2 3.27Å; Q263-V267 PolarHBondContact O-N 3.4Å; Q263-H540 WeakPolarHBondContact CG-NE2 3.49Å; Q263-L542 HydrophobicContact CB-CB 4.1Å; Q263-L542 HydrophobicContact CB-CD2 3.94Å
264	V	96.1	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-43.2	175.2	167.5	0	0	0	0	111	F145 M251 E260 I261 Q262 T268 L353 W356 I357 L542	F145-V264 HydrophobicContact CE1-CG1 4.12Å; F145-V264 HydrophobicContact CE2-CG1 4.42Å; F145-V264 HydrophobicContact CZ-CG1 3.54Å; M251-V264 HydrophobicContact CE-CG1 4.19Å; E260-V264 WeakPolarHBondContact O-CG2 3.31Å; E260-V264 PolarHBondContact O-N 3.34Å; I261-V264 PolarHBondContact O-N 2.85Å; Q262-V264 VanDerWaalsContact C-N 3.32Å; Q262-V264 PolarHBondContact O-N 3Å; V264-T268 WeakPolarHBondContact O-CB 3.17Å; V264-T268 PolarHBondContact O-N 3.24Å; V264-T268 PolarHBondContact O-OG1 3.18Å; V264-L353 HydrophobicContact CG1-CD1 4.34Å; V264-L353 HydrophobicContact CG2-CD1 4.19Å; V264-W356 HydrophobicContact CG2-CE3 4.24Å; V264-W356 HydrophobicContact CG2-CH2 4.47Å; V264-W356 HydrophobicContact CG2-CZ3 3.6Å; V264-I357 HydrophobicContact CG1-CD1 3.97Å; V264-I357 HydrophobicContact CG2-CG1 4.42Å; V264-L542 HydrophobicContact CG2-CD2 3.86Å
265	L	95.5	Very high	93.7	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-70	-35.2	178.2	-62.3	-177.7	0	0	0	112.3	L204 L212 L216 F244 I261 Q262 Q263 T268 S269	L204-L265 HydrophobicContact CD1-CD1 4.39Å; L204-L265 HydrophobicContact CD1-CD2 4.19Å; L212-L265 HydrophobicContact CD2-CD1 4.05Å; L216-L265 HydrophobicContact CD1-CB 4.28Å; F244-L265 HydrophobicContact CE2-CD1 4.49Å; F244-L265 HydrophobicContact CE2-CD2 4.08Å; F244-L265 HydrophobicContact CZ-CD1 3.93Å; F244-L265 HydrophobicContact CZ-CD2 4.34Å; I261-L265 HydrophobicContact CG2-CD1 4.27Å; I261-L265 WeakPolarHBondContact O-CG 3.45Å; I261-L265 PolarHBondContact O-N 3.25Å; Q262-L265 PolarHBondContact O-N 3.41Å; Q262-L265 VanDerWaalsContact O-N 3.11Å; Q263-L265 VanDerWaalsContact C-N 3.35Å; L265-T268 PolarHBondContact O-N 3.34Å; L265-S269 WeakPolarHBondContact O-CB 3.36Å; L265-S269 PolarHBondContact O-N 3.47Å
266	E	94.8	Very high	93.9	Very high	34 Å²	34	31.1 Å²	31.1	16%	0.159	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-49.1	173	-76	172.6	-174.8	0	0	111.4	L216 Q262 Q263 T268 S269 M270 T305 H540	L216-E266 HydrophobicContact CD2-CB 4.25Å; L216-E266 HydrophobicContact CD2-CG 3.58Å; Q262-E266 HydrophobicContact CG-CG 4.36Å; Q262-E266 VanDerWaalsContact CG-OE1 3.32Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.42Å; Q262-E266 PolarHBondContact NE2-OE1 3.48Å; Q262-E266 WeakPolarHBondContact O-CG 3.34Å; Q262-E266 PolarHBondContact O-N 2.9Å; Q263-E266 PolarHBondContact O-N 2.89Å; E266-T268 VanDerWaalsContact C-N 3.33Å; E266-T268 PolarHBondContact O-N 3.15Å; E266-S269 PolarHBondContact O-N 3.42Å; E266-S269 PolarHBondContact O-OG 3.2Å; E266-M270 PolarHBondContact O-N 3.47Å; E266-T305 HydrophobicContact CB-CG2 4.27Å; E266-T305 HydrophobicContact CG-CG2 4.3Å; E266-H540 IonicContact OE2-CD2 2.79Å; E266-H540 PolarHBondContact OE2-CD2 3.49Å; E266-H540 VanDerWaalsContact OE2-CD2 3.24Å; E266-H540 IonicContact OE2-NE2 3.73Å; E266-H540 PolarHBondContact OE2-NE2 3.27Å; E266-H540 VanDerWaalsContact OE2-NE2 3.13Å
267	V	95.6	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-38.7	175.5	179	0	0	0	0	111.3	Q263 S269 M270 V271 V349 L353 H540 L542 L543 L546	Q263-V267 WeakPolarHBondContact O-CG2 3.27Å; Q263-V267 PolarHBondContact O-N 3.4Å; V267-S269 VanDerWaalsContact C-N 3.34Å; V267-S269 PolarHBondContact O-N 3.19Å; V267-M270 WeakPolarHBondContact O-CB 3.29Å; V267-M270 PolarHBondContact O-N 3.47Å; V267-V271 WeakPolarHBondContact O-CG2 3.25Å; V267-V271 PolarHBondContact O-N 3.06Å; V267-V271 VanDerWaalsContact O-N 3.13Å; V267-V349 HydrophobicContact CG1-CG1 3.4Å; V267-L353 HydrophobicContact CB-CD1 4.43Å; V267-L353 HydrophobicContact CB-CD2 4.19Å; V267-L353 HydrophobicContact CG1-CB 4.42Å; V267-L353 HydrophobicContact CG1-CD1 4.36Å; V267-L353 HydrophobicContact CG1-CD2 3.93Å; V267-L353 HydrophobicContact CG1-CG 4.47Å; V267-H540 VanDerWaalsContact CG2-CE1 3.44Å; V267-H540 WeakPolarHBondContact CG2-CE1 3.23Å; V267-L542 HydrophobicContact CG2-CD2 4.09Å; V267-L542 HydrophobicContact CG2-CG 4.32Å; V267-L543 HydrophobicContact CG1-CD1 4.5Å; V267-L543 HydrophobicContact CG2-CB 4.31Å; V267-L546 HydrophobicContact CG1-CD1 4.3Å
268	T	95.6	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-41.4	175.4	-56.1	0	0	0	0	111.4	I200 F201 L204 V264 L265 E266 V271 L272	I200-T268 HydrophobicContact CG1-CG2 4.21Å; I200-T268 HydrophobicContact CG2-CG2 4.36Å; F201-T268 HydrophobicContact CD1-CG2 3.91Å; F201-T268 HydrophobicContact CE1-CG2 3.72Å; L204-T268 HydrophobicContact CD2-CG2 4.37Å; V264-T268 WeakPolarHBondContact O-CB 3.17Å; V264-T268 PolarHBondContact O-N 3.24Å; V264-T268 PolarHBondContact O-OG1 3.18Å; L265-T268 PolarHBondContact O-N 3.34Å; E266-T268 VanDerWaalsContact C-N 3.33Å; E266-T268 PolarHBondContact O-N 3.15Å; T268-V271 PolarHBondContact O-N 3.05Å; T268-L272 PolarHBondContact O-N 3.35Å
269	S	94.4	Very high	93.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-38.3	176.2	80	0	0	0	0	112.2	L265 E266 V267 V271 L272 K273	L265-S269 WeakPolarHBondContact O-CB 3.36Å; L265-S269 PolarHBondContact O-N 3.47Å; E266-S269 PolarHBondContact O-N 3.42Å; E266-S269 PolarHBondContact O-OG 3.2Å; V267-S269 VanDerWaalsContact C-N 3.34Å; V267-S269 PolarHBondContact O-N 3.19Å; S269-V271 PolarHBondContact O-N 2.92Å; S269-L272 PolarHBondContact O-N 3.32Å; S269-K273 WeakPolarHBondContact O-CG 3.41Å; S269-K273 PolarHBondContact O-N 3.24Å
270	M	93.9	Very high	92.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-46.3	174.7	169.9	-176.7	179.5	0	0	111.2	E266 V267 L272 K273 L274 I302 V306 M535 L543	E266-M270 PolarHBondContact O-N 3.47Å; V267-M270 WeakPolarHBondContact O-CB 3.29Å; V267-M270 PolarHBondContact O-N 3.47Å; M270-L272 VanDerWaalsContact C-N 3.27Å; M270-L272 PolarHBondContact O-N 2.88Å; M270-K273 PolarHBondContact O-N 2.71Å; M270-L274 HydrophobicContact CE-CD1 3.95Å; M270-L274 HydrophobicContact CG-CD1 4.2Å; M270-L274 HydrophobicContact CG-CG 4.4Å; M270-L274 WeakPolarHBondContact O-CG 3.36Å; M270-L274 PolarHBondContact O-N 3.21Å; M270-I302 HydrophobicContact CE-CG2 4.03Å; M270-I302 HydrophobicContact CG-CG2 3.89Å; M270-I302 HydrophobicContact SD-CG2 4.27Å; M270-V306 HydrophobicContact CB-CG1 4.3Å; M270-V306 HydrophobicContact CG-CG1 4.43Å; M270-V306 HydrophobicContact SD-CG1 3.7Å; M270-V306 HydrophobicContact SD-CG2 4.42Å; M270-M535 HydrophobicContact CE-CE 3.95Å; M270-M535 HydrophobicContact CE-SD 3.45Å; M270-M535 WeakPolarHBondContact CE-SD 3.2Å; M270-L543 HydrophobicContact CE-CD2 4.43Å; M270-L543 HydrophobicContact SD-CD1 4.34Å; M270-L543 HydrophobicContact SD-CD2 3.87Å
271	V	95.1	Very high	92.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-43.2	178.1	173.4	0	0	0	0	110.8	V188 F201 Y227 V267 T268 S269 L274 A346 V349 Y350	V188-V271 HydrophobicContact CG1-CG1 3.55Å; F201-V271 HydrophobicContact CE1-CB 4.36Å; F201-V271 HydrophobicContact CE1-CG1 4.2Å; F201-V271 HydrophobicContact CZ-CB 4.45Å; F201-V271 HydrophobicContact CZ-CG1 3.88Å; Y227-V271 VanDerWaalsContact CD2-O 3.31Å; Y227-V271 WeakPolarHBondContact CD2-O 3.42Å; Y227-V271 WeakPolarHBondContact CE2-O 3.33Å; V267-V271 WeakPolarHBondContact O-CG2 3.25Å; V267-V271 PolarHBondContact O-N 3.06Å; V267-V271 VanDerWaalsContact O-N 3.13Å; T268-V271 PolarHBondContact O-N 3.05Å; S269-V271 PolarHBondContact O-N 2.92Å; V271-L274 PolarHBondContact O-N 2.77Å; V271-A346 HydrophobicContact CG1-CB 4.29Å; V271-V349 HydrophobicContact CG2-CB 4.01Å; V271-V349 HydrophobicContact CG2-CG1 3.59Å; V271-Y350 HydrophobicContact CG1-CD2 4.42Å
272	L	93.1	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-42.1	179.7	-167.4	63.6	0	0	0	112.2	F201 L205 L218 Y225 L228 T268 S269 M270 G275	F201-L272 HydrophobicContact CD1-CB 4.23Å; F201-L272 HydrophobicContact CD1-CD1 4.05Å; F201-L272 HydrophobicContact CE1-CB 4.28Å; F201-L272 HydrophobicContact CG-CD1 4.48Å; L205-L272 HydrophobicContact CD1-CD2 4.16Å; L205-L272 HydrophobicContact CD2-CD2 4.3Å; L205-L272 HydrophobicContact CG-CD2 4.44Å; L218-L272 HydrophobicContact CD2-CD2 4.15Å; Y225-L272 HydrophobicContact CD1-CD1 4.24Å; Y225-L272 HydrophobicContact CD1-CD2 3.78Å; Y225-L272 HydrophobicContact CD1-CG 3.51Å; Y225-L272 HydrophobicContact CD2-CD2 4.01Å; Y225-L272 HydrophobicContact CD2-CG 4.41Å; Y225-L272 HydrophobicContact CE1-CD2 3.81Å; Y225-L272 HydrophobicContact CE1-CG 3.94Å; Y225-L272 HydrophobicContact CE2-CD2 4.06Å; Y225-L272 HydrophobicContact CG-CD1 4.04Å; Y225-L272 HydrophobicContact CG-CD2 3.85Å; Y225-L272 HydrophobicContact CG-CG 3.75Å; L228-L272 HydrophobicContact CD1-CD1 3.97Å; L228-L272 HydrophobicContact CD1-CD2 4.44Å; L228-L272 HydrophobicContact CD2-CD1 3.87Å; L228-L272 HydrophobicContact CG-CD1 3.69Å; T268-L272 PolarHBondContact O-N 3.35Å; S269-L272 PolarHBondContact O-N 3.32Å; M270-L272 VanDerWaalsContact C-N 3.27Å; M270-L272 PolarHBondContact O-N 2.88Å; L272-G275 PolarHBondContact O-N 2.72Å
273	K	92.2	Very high	91.3	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-34.1	177.7	-75.3	178.3	169.3	-68.8	0	113.4	L216 K217 L218 S269 M270 G275 N276 E301 I302	L216-K273 WeakPolarHBondContact O-CE 3.15Å; K217-K273 VanDerWaalsContact O-CE 3.25Å; K217-K273 WeakPolarHBondContact O-CE 3.36Å; K217-K273 PolarHBondContact O-NZ 3.13Å; L218-K273 HydrophobicContact CD2-CG 4.19Å; S269-K273 WeakPolarHBondContact O-CG 3.41Å; S269-K273 PolarHBondContact O-N 3.24Å; M270-K273 PolarHBondContact O-N 2.71Å; K273-G275 PolarHBondContact O-N 2.87Å; K273-N276 PolarHBondContact O-N 3.36Å; K273-E301 IonicContact NZ-OE2 3.74Å; K273-E301 PolarHBondContact NZ-OE2 3.3Å; K273-I302 HydrophobicContact CB-CD1 3.97Å; K273-I302 HydrophobicContact CB-CG1 3.78Å; K273-I302 HydrophobicContact CD-CG1 4.33Å
274	L	92	Very high	90.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-55.1	-37.4	176.9	-86.1	169.8	0	0	0	111.3	Y227 M270 V271 N276 V277 I302 R342 L345 A346	Y227-L274 HydrophobicContact CE2-CB 4.47Å; M270-L274 HydrophobicContact CE-CD1 3.95Å; M270-L274 HydrophobicContact CG-CD1 4.2Å; M270-L274 HydrophobicContact CG-CG 4.4Å; M270-L274 WeakPolarHBondContact O-CG 3.36Å; M270-L274 PolarHBondContact O-N 3.21Å; V271-L274 PolarHBondContact O-N 2.77Å; L274-N276 PolarHBondContact O-N 2.82Å; L274-V277 WeakPolarHBondContact O-CB 3.33Å; L274-V277 PolarHBondContact O-N 2.62Å; L274-V277 VanDerWaalsContact O-N 3.09Å; L274-I302 HydrophobicContact CD2-CD1 3.9Å; L274-I302 HydrophobicContact CG-CD1 3.97Å; L274-R342 VanDerWaalsContact O-CD 3.25Å; L274-R342 WeakPolarHBondContact O-CD 3.46Å; L274-L345 HydrophobicContact CD1-CD2 3.99Å; L274-L345 HydrophobicContact CD1-CG 4.09Å; L274-L345 HydrophobicContact CD2-CD2 4.11Å; L274-A346 HydrophobicContact CB-CB 4.49Å; L274-A346 HydrophobicContact CD1-CB 4.34Å
275	G	90.3	Very high	89.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.8	178.2	0	0	0	0	0	114.5	A226 Y227 L272 K273 R342	A226-G275 WeakPolarHBondContact CB-O 3.49Å; Y227-G275 VanDerWaalsContact CE2-N 3.27Å; L272-G275 PolarHBondContact O-N 2.72Å; K273-G275 PolarHBondContact O-N 2.87Å; G275-R342 PolarHBondContact O-NH1 3.47Å; G275-R342 VanDerWaalsContact O-NH1 3.16Å
276	N	91.4	Very high	88.4	Confident	60 Å²	60	44.8 Å²	44.8	32%	0.321	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.5	179.6	-69	-3.6	0	0	0	113.4	G224 Y225 A226 K273 L274 L278	G224-N276 PolarHBondContact O-ND2 3.23Å; G224-N276 PolarHBondContact O-OD1 3.05Å; Y225-N276 WeakPolarHBondContact CA-OD1 3.19Å; Y225-N276 WeakPolarHBondContact CD1-ND2 3.47Å; A226-N276 PolarHBondContact N-OD1 2.96Å; K273-N276 PolarHBondContact O-N 3.36Å; L274-N276 PolarHBondContact O-N 2.82Å; N276-L278 PolarHBondContact O-N 2.98Å; N276-L278 VanDerWaalsContact O-N 3.13Å
277	V	90.4	Very high	87.4	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	27%	0.265	C	S	.	.			trans	-71.3	109.4	173.6	-178.9	0	0	0	0	108.4	L274 I293 V299 I302 R342	L274-V277 WeakPolarHBondContact O-CB 3.33Å; L274-V277 PolarHBondContact O-N 2.62Å; L274-V277 VanDerWaalsContact O-N 3.09Å; V277-I293 HydrophobicContact CG1-CD1 4.17Å; V277-I293 HydrophobicContact CG1-CG1 4.35Å; V277-I293 HydrophobicContact CG1-CG2 4.1Å; V277-V299 HydrophobicContact CB-CG2 4.45Å; V277-V299 HydrophobicContact CG1-CG2 3.77Å; V277-V299 HydrophobicContact CG2-CG2 3.75Å; V277-I302 HydrophobicContact CG2-CD1 4.09Å; V277-R342 WeakPolarHBondContact O-CD 3.45Å; V277-R342 PolarHBondContact O-NH1 3.41Å
278	L	88.4	Confident	86.6	Confident	95 Å²	95	48.8 Å²	48.8	50%	0.497	28%	0.284	S	S	.	.			trans	-90.9	130.1	177.4	-64.3	178.5	0	0	0	110.2	N276 R294	N276-L278 PolarHBondContact O-N 2.98Å; N276-L278 VanDerWaalsContact O-N 3.13Å; L278-R294 HydrophobicContact CB-CB 4.16Å; L278-R294 PolarHBondContact O-N 3.44Å
279	V	87.8	Confident	85.8	Confident	22 Å²	22	52.1 Å²	52.1	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.4	176.9	-171.3	0	0	0	0	108.8	S291 G292 V335 A338 Q339	V279-S291 VanDerWaalsContact CG1-CB 3.5Å; V279-G292 CarbonylContact C-O 3.54Å; V279-G292 WeakPolarHBondContact CA-O 3.38Å; V279-G292 WeakPolarHBondContact CG1-O 3.05Å; V279-V335 HydrophobicContact CB-CG1 4.33Å; V279-V335 HydrophobicContact CG1-CB 4.47Å; V279-V335 HydrophobicContact CG1-CG1 4.27Å; V279-V335 HydrophobicContact CG1-CG2 4.25Å; V279-A338 HydrophobicContact CG1-CB 3.84Å; V279-A338 HydrophobicContact CG2-CB 4.22Å; V279-Q339 HydrophobicContact CB-CG 4.45Å; V279-Q339 HydrophobicContact CG2-CG 4.22Å
280	A	87.8	Confident	85.4	Confident	32 Å²	32	52.5 Å²	52.5	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	155.4	174.9	0	0	0	0	0	111	S291 G292 R294	A280-S291 WeakPolarHBondContact O-CA 3.49Å; A280-G292 PolarHBondContact N-O 2.66Å; A280-G292 PolarHBondContact O-N 2.97Å; A280-R294 HydrophobicContact CB-CB 3.98Å; A280-R294 HydrophobicContact CB-CG 4.39Å
281	D	86.4	Confident	85	Confident	118 Å²	118	52.8 Å²	52.8	63%	0.631	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.1	172.9	-68.1	-66.5	0	0	0	110.3	V335	D281-V335 HydrophobicContact CB-CG2 4.21Å; D281-V335 WeakPolarHBondContact OD1-CG2 3.39Å
282	E	84.1	Confident	84.7	Confident	107 Å²	107	52.9 Å²	52.9	50%	0.5	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	160.1	167.1	-74	-167.3	172.2	0	0	109.3	A290	E282-A290 HydrophobicContact CB-CB 4.45Å; E282-A290 PolarHBondContact N-O 3.18Å; E282-A290 CarbonylContact O-C 3.55Å; E282-A290 VanDerWaalsContact O-C 3.27Å; E282-A290 VanDerWaalsContact O-CA 3.3Å; E282-A290 WeakPolarHBondContact O-CA 3.48Å; E282-A290 WeakPolarHBondContact O-CB 3.3Å; E282-A290 PolarHBondContact O-N 3.39Å
283	F	78.5	Confident	84.4	Confident	150 Å²	150	53.8 Å²	53.8	66%	0.658	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	177.1	-68.3	-88.2	0	0	0	109.9	P289	F283-P289 HydrophobicContact CE1-CB 4.42Å
284	Q	76.4	Confident	84.1	Confident	77 Å²	77	62.3 Å²	62.3	36%	0.36	35%	0.348	S	S	.	.			trans	-68	158.7	169.5	-73.4	-173.4	-19.4	0	0	110.5	N286 G287 T288 A290 A332	Q284-N286 WeakPolarHBondContact CB-OD1 3.48Å; Q284-N286 PolarHBondContact O-N 2.97Å; Q284-G287 PolarHBondContact O-N 2.84Å; Q284-T288 PolarHBondContact N-O 3.49Å; Q284-T288 VanDerWaalsContact N-O 3.08Å; Q284-A290 HydrophobicContact CG-CB 4.06Å; Q284-A332 HydrophobicContact CG-CB 4.44Å
285	A	73.9	Confident	83.6	Confident	121 Å²	121	66.1 Å²	66.1	100%	1	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.3	179.1	0	0	0	0	0	114.4
286	N	73.7	Confident	83.2	Confident	109 Å²	109	67.1 Å²	67.1	58%	0.583	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	5.5	176.8	63.1	8.7	0	0	0	114	Q284 T288	Q284-N286 WeakPolarHBondContact CB-OD1 3.48Å; Q284-N286 PolarHBondContact O-N 2.97Å; N286-T288 VanDerWaalsContact C-N 3.33Å; N286-T288 PolarHBondContact ND2-OG1 3.04Å; N286-T288 PolarHBondContact O-N 3.06Å; N286-T288 VanDerWaalsContact OD1-CB 3.28Å; N286-T288 WeakPolarHBondContact OD1-CB 3.23Å; N286-T288 PolarHBondContact OD1-N 3.23Å; N286-T288 PolarHBondContact OD1-OG1 3.29Å
287	G	74.1	Confident	82.9	Confident	53 Å²	53	71.4 Å²	71.4	55%	0.546	39%	0.39	S	S	.	.	S	Bend	trans	81.1	3.5	-178.8	0	0	0	0	0	115.3	Q284	Q284-G287 PolarHBondContact O-N 2.84Å
288	T	78.4	Confident	82.7	Confident	65 Å²	65	72.1 Å²	72.1	40%	0.399	40%	0.398	S	S	.	.			trans	-74.2	133	178	-43.7	0	0	0	0	110	Q284 N286 A290	Q284-T288 PolarHBondContact N-O 3.49Å; Q284-T288 VanDerWaalsContact N-O 3.08Å; N286-T288 VanDerWaalsContact C-N 3.33Å; N286-T288 PolarHBondContact ND2-OG1 3.04Å; N286-T288 PolarHBondContact O-N 3.06Å; N286-T288 VanDerWaalsContact OD1-CB 3.28Å; N286-T288 WeakPolarHBondContact OD1-CB 3.23Å; N286-T288 PolarHBondContact OD1-N 3.23Å; N286-T288 PolarHBondContact OD1-OG1 3.29Å; T288-A290 PolarHBondContact O-N 3.17Å
289	P	79.3	Confident	82.6	Confident	70 Å²	70	67.6 Å²	67.6	46%	0.455	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.9	176	24.3	-32.4	0	0	0	110.6	F283	F283-P289 HydrophobicContact CE1-CB 4.42Å
290	A	85.5	Confident	82.7	Confident	8 Å²	8	72.5 Å²	72.5	7%	0.066	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-176	177.3	0	0	0	0	0	109.9	E282 Q284 T288 A332 L333	E282-A290 HydrophobicContact CB-CB 4.45Å; E282-A290 PolarHBondContact N-O 3.18Å; E282-A290 CarbonylContact O-C 3.55Å; E282-A290 VanDerWaalsContact O-C 3.27Å; E282-A290 VanDerWaalsContact O-CA 3.3Å; E282-A290 WeakPolarHBondContact O-CA 3.48Å; E282-A290 WeakPolarHBondContact O-CB 3.3Å; E282-A290 PolarHBondContact O-N 3.39Å; Q284-A290 HydrophobicContact CG-CB 4.06Å; T288-A290 PolarHBondContact O-N 3.17Å; A290-A332 HydrophobicContact CB-CB 3.8Å; A290-L333 CarbonylContact C-O 3.56Å; A290-L333 VanDerWaalsContact C-O 3.24Å; A290-L333 WeakPolarHBondContact CA-O 3.31Å
291	S	87	Confident	82.8	Confident	7 Å²	7	73.5 Å²	73.5	5%	0.049	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.5	178.3	54.8	0	0	0	0	109.9	V279 A280 C318 L333 A338	V279-S291 VanDerWaalsContact CG1-CB 3.5Å; A280-S291 WeakPolarHBondContact O-CA 3.49Å; S291-C318 WeakPolarHBondContact O-CB 3.48Å; S291-C318 PolarHBondContact O-SG 3.46Å; S291-L333 VanDerWaalsContact CB-O 3.26Å; S291-L333 WeakPolarHBondContact CB-O 3.43Å; S291-L333 PolarHBondContact N-O 3.42Å; S291-L333 PolarHBondContact OG-O 2.97Å; S291-A338 WeakPolarHBondContact OG-CB 3.36Å
292	G	87.6	Confident	83	Confident	2 Å²	2	67.9 Å²	67.9	2%	0.021	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	168.5	170.6	0	0	0	0	0	110.5	V279 A280	V279-G292 CarbonylContact C-O 3.54Å; V279-G292 WeakPolarHBondContact CA-O 3.38Å; V279-G292 WeakPolarHBondContact CG1-O 3.05Å; A280-G292 PolarHBondContact N-O 2.66Å; A280-G292 PolarHBondContact O-N 2.97Å
293	I	88.1	Confident	83.2	Confident	19 Å²	19	63 Å²	63	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.3	176.2	-62.8	-179.8	0	0	0	109.5	V277 D295 V299 E314 L317	V277-I293 HydrophobicContact CG1-CD1 4.17Å; V277-I293 HydrophobicContact CG1-CG1 4.35Å; V277-I293 HydrophobicContact CG1-CG2 4.1Å; I293-D295 WeakPolarHBondContact CG2-O 3.36Å; I293-V299 HydrophobicContact CD1-CB 4.17Å; I293-V299 HydrophobicContact CD1-CG1 4.37Å; I293-V299 HydrophobicContact CD1-CG2 3.46Å; I293-V299 VanDerWaalsContact CD1-CG2 3.46Å; I293-E314 HydrophobicContact CD1-CB 3.65Å; I293-E314 HydrophobicContact CD1-CG 3.55Å; I293-E314 HydrophobicContact CG1-CG 3.89Å; I293-L317 HydrophobicContact CD1-CD1 4.49Å
294	R	85.1	Confident	83.7	Confident	191 Å²	191	62.5 Å²	62.5	72%	0.721	34%	0.338	S	S	*	.	S	Bend	trans	-66.6	-46.2	-177.4	-171.4	179.3	172.5	-177.3	-2.1	112.8	L278 A280	L278-R294 HydrophobicContact CB-CB 4.16Å; L278-R294 PolarHBondContact O-N 3.44Å; A280-R294 HydrophobicContact CB-CB 3.98Å; A280-R294 HydrophobicContact CB-CG 4.39Å
295	D	80.7	Confident	84.2	Confident	81 Å²	81	60 Å²	60	43%	0.433	33%	0.328	S	S	.	.			trans	-129.3	109.9	174.4	-179.1	8.2	0	0	0	109.5	I293 R297	I293-D295 WeakPolarHBondContact CG2-O 3.36Å; D295-R297 PolarHBondContact O-N 3.31Å; D295-R297 VanDerWaalsContact O-N 3.11Å; D295-R297 VanDerWaalsContact OD1-CB 3.27Å; D295-R297 WeakPolarHBondContact OD1-CB 3.43Å; D295-R297 PolarHBondContact OD1-N 3.13Å; D295-R297 WeakPolarHBondContact OD2-CB 3.42Å; D295-R297 IonicContact OD2-NE 2.56Å
296	G	81.6	Confident	84.8	Confident	20 Å²	20	54.3 Å²	54.3	21%	0.206	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.6	178.6	0	0	0	0	0	114.3	G298 V299 R300	G296-G298 PolarHBondContact O-N 3.04Å; G296-V299 PolarHBondContact O-N 3.3Å; G296-R300 WeakPolarHBondContact O-CB 3.19Å; G296-R300 WeakPolarHBondContact O-CG 3.28Å; G296-R300 PolarHBondContact O-N 3.32Å
297	R	86.7	Confident	85.5	Confident	150 Å²	150	50.3 Å²	50.3	57%	0.566	27%	0.266	S	S	*	.	H	α-helix	trans	-53.5	-49.7	178.5	-173.5	-169.6	-57.5	-153.5	-3.2	112.1	D295 V299 R300 E301	D295-R297 PolarHBondContact O-N 3.31Å; D295-R297 VanDerWaalsContact O-N 3.11Å; D295-R297 VanDerWaalsContact OD1-CB 3.27Å; D295-R297 WeakPolarHBondContact OD1-CB 3.43Å; D295-R297 PolarHBondContact OD1-N 3.13Å; D295-R297 WeakPolarHBondContact OD2-CB 3.42Å; D295-R297 IonicContact OD2-NE 2.56Å; R297-V299 VanDerWaalsContact C-N 3.34Å; R297-V299 PolarHBondContact O-N 2.98Å; R297-R300 PolarHBondContact O-N 2.68Å; R297-E301 WeakPolarHBondContact CD-OE1 3.26Å; R297-E301 HydrophobicContact CG-CG 4.37Å; R297-E301 WeakPolarHBondContact CG-OE1 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.43Å; R297-E301 WeakPolarHBondContact O-CG 3.15Å; R297-E301 PolarHBondContact O-N 3.18Å
298	G	84.8	Confident	86.3	Confident	17 Å²	17	48.4 Å²	48.4	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-43	-177.9	0	0	0	0	0	112.6	G296 E301 I302	G296-G298 PolarHBondContact O-N 3.04Å; G298-E301 PolarHBondContact O-N 3.23Å; G298-I302 WeakPolarHBondContact O-CB 3.48Å; G298-I302 WeakPolarHBondContact O-CD1 3.38Å; G298-I302 WeakPolarHBondContact O-CG1 3.22Å; G298-I302 PolarHBondContact O-N 3.01Å
299	V	88	Confident	86.7	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-74.1	-34.4	179.8	172.5	0	0	0	0	112.7	V277 I293 G296 R297 G303 S310 L313	V277-V299 HydrophobicContact CB-CG2 4.45Å; V277-V299 HydrophobicContact CG1-CG2 3.77Å; V277-V299 HydrophobicContact CG2-CG2 3.75Å; I293-V299 HydrophobicContact CD1-CB 4.17Å; I293-V299 HydrophobicContact CD1-CG1 4.37Å; I293-V299 HydrophobicContact CD1-CG2 3.46Å; I293-V299 VanDerWaalsContact CD1-CG2 3.46Å; G296-V299 PolarHBondContact O-N 3.3Å; R297-V299 VanDerWaalsContact C-N 3.34Å; R297-V299 PolarHBondContact O-N 2.98Å; V299-G303 PolarHBondContact O-N 3.02Å; V299-S310 WeakPolarHBondContact CG1-O 3.35Å; V299-L313 HydrophobicContact CG1-CB 3.94Å; V299-L313 HydrophobicContact CG1-CD2 3.97Å; V299-L313 HydrophobicContact CG1-CG 4.01Å
300	R	89.4	Confident	87.1	Confident	125 Å²	125	47.7 Å²	47.7	47%	0.472	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-47	170.1	-74.1	-172.1	-62.9	-105.1	-0.5	111.7	G296 R297 I302 G303 E304	G296-R300 WeakPolarHBondContact O-CB 3.19Å; G296-R300 WeakPolarHBondContact O-CG 3.28Å; G296-R300 PolarHBondContact O-N 3.32Å; R297-R300 PolarHBondContact O-N 2.68Å; R300-I302 PolarHBondContact O-N 3.46Å; R300-G303 PolarHBondContact O-N 2.98Å; R300-E304 WeakPolarHBondContact O-CG 3.26Å; R300-E304 PolarHBondContact O-N 2.87Å
301	E	89.8	Confident	87.2	Confident	52 Å²	52	53 Å²	53	24%	0.243	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-45.5	178.9	-74.4	178.8	-168.5	0	0	112	K217 K273 R297 G298 E304 T305	K217-E301 HydrophobicContact CD-CB 3.94Å; K217-E301 HydrophobicContact CD-CG 3.94Å; K217-E301 PolarHBondContact NZ-O 2.93Å; K273-E301 IonicContact NZ-OE2 3.74Å; K273-E301 PolarHBondContact NZ-OE2 3.3Å; R297-E301 WeakPolarHBondContact CD-OE1 3.26Å; R297-E301 HydrophobicContact CG-CG 4.37Å; R297-E301 WeakPolarHBondContact CG-OE1 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.43Å; R297-E301 WeakPolarHBondContact O-CG 3.15Å; R297-E301 PolarHBondContact O-N 3.18Å; G298-E301 PolarHBondContact O-N 3.23Å; E301-E304 PolarHBondContact O-N 3.02Å; E301-T305 PolarHBondContact O-N 3.17Å; E301-T305 VanDerWaalsContact O-N 3.08Å; E301-T305 PolarHBondContact O-OG1 3Å; E301-T305 VanDerWaalsContact O-OG1 3.1Å
302	I	90	Very high	87.2	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-48.9	174	-69.5	162.5	0	0	0	110.2	M270 K273 L274 V277 G298 R300 E304 T305 V306 L313	M270-I302 HydrophobicContact CE-CG2 4.03Å; M270-I302 HydrophobicContact CG-CG2 3.89Å; M270-I302 HydrophobicContact SD-CG2 4.27Å; K273-I302 HydrophobicContact CB-CD1 3.97Å; K273-I302 HydrophobicContact CB-CG1 3.78Å; K273-I302 HydrophobicContact CD-CG1 4.33Å; L274-I302 HydrophobicContact CD2-CD1 3.9Å; L274-I302 HydrophobicContact CG-CD1 3.97Å; V277-I302 HydrophobicContact CG2-CD1 4.09Å; G298-I302 WeakPolarHBondContact O-CB 3.48Å; G298-I302 WeakPolarHBondContact O-CD1 3.38Å; G298-I302 WeakPolarHBondContact O-CG1 3.22Å; G298-I302 PolarHBondContact O-N 3.01Å; R300-I302 PolarHBondContact O-N 3.46Å; I302-E304 VanDerWaalsContact C-N 3.31Å; I302-E304 PolarHBondContact O-N 3.19Å; I302-T305 PolarHBondContact O-N 2.85Å; I302-T305 VanDerWaalsContact O-N 3.1Å; I302-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 WeakPolarHBondContact O-CG2 3.47Å; I302-V306 PolarHBondContact O-N 3.26Å; I302-L313 HydrophobicContact CB-CD2 4.35Å; I302-L313 HydrophobicContact CG2-CD2 3.73Å
303	G	88.6	Confident	87.2	Confident	5 Å²	5	54.8 Å²	54.8	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-41.9	179.8	0	0	0	0	0	113	V299 R300 G307 L308	V299-G303 PolarHBondContact O-N 3.02Å; R300-G303 PolarHBondContact O-N 2.98Å; G303-G307 CarbonylContact O-C 3.52Å; G303-G307 VanDerWaalsContact O-CA 3.27Å; G303-G307 WeakPolarHBondContact O-CA 3.2Å; G303-G307 PolarHBondContact O-N 2.89Å; G303-L308 CarbonylContact C-O 3.41Å; G303-L308 WeakPolarHBondContact CA-O 3.33Å; G303-L308 PolarHBondContact O-N 2.77Å
304	E	88.9	Confident	87.3	Confident	138 Å²	138	57.1 Å²	57.1	65%	0.645	28%	0.277	S	S	*	.	H	α-helix	trans	-66.6	-38.4	174.6	-76	173.7	-141.4	0	0	112.9	K217 R300 E301 I302	K217-E304 VanDerWaalsContact NZ-CD 3.29Å; K217-E304 IonicContact NZ-OE2 3.72Å; K217-E304 PolarHBondContact NZ-OE2 3.15Å; R300-E304 WeakPolarHBondContact O-CG 3.26Å; R300-E304 PolarHBondContact O-N 2.87Å; E301-E304 PolarHBondContact O-N 3.02Å; I302-E304 VanDerWaalsContact C-N 3.31Å; I302-E304 PolarHBondContact O-N 3.19Å
305	T	86.6	Confident	87.5	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-70	-40.6	179.1	-58.9	0	0	0	0	112.2	E266 E301 I302	E266-T305 HydrophobicContact CB-CG2 4.27Å; E266-T305 HydrophobicContact CG-CG2 4.3Å; E301-T305 PolarHBondContact O-N 3.17Å; E301-T305 VanDerWaalsContact O-N 3.08Å; E301-T305 PolarHBondContact O-OG1 3Å; E301-T305 VanDerWaalsContact O-OG1 3.1Å; I302-T305 PolarHBondContact O-N 2.85Å; I302-T305 VanDerWaalsContact O-N 3.1Å
306	V	87.9	Confident	87.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-101.6	1.8	-175.8	-52.6	0	0	0	0	114.3	M270 I302 L308 A538 Q539 H540 L543	M270-V306 HydrophobicContact CB-CG1 4.3Å; M270-V306 HydrophobicContact CG-CG1 4.43Å; M270-V306 HydrophobicContact SD-CG1 3.7Å; M270-V306 HydrophobicContact SD-CG2 4.42Å; I302-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 WeakPolarHBondContact O-CG2 3.47Å; I302-V306 PolarHBondContact O-N 3.26Å; V306-L308 HydrophobicContact CG2-CB 3.87Å; V306-A538 HydrophobicContact CG2-CB 4.46Å; V306-Q539 PolarHBondContact O-N 3.08Å; V306-H540 HydrophobicContact CB-CB 4.14Å; V306-H540 WeakPolarHBondContact O-CB 3.15Å; V306-H540 PolarHBondContact O-N 2.91Å; V306-H540 VanDerWaalsContact O-N 3.14Å; V306-L543 HydrophobicContact CB-CD2 3.78Å; V306-L543 HydrophobicContact CG1-CD2 4.01Å; V306-L543 HydrophobicContact CG2-CD2 3.95Å
307	G	88.2	Confident	88.2	Confident	26 Å²	26	50.1 Å²	50.1	27%	0.268	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	49.8	-178.2	0	0	0	0	0	112.7	G303 Q539	G303-G307 CarbonylContact O-C 3.52Å; G303-G307 VanDerWaalsContact O-CA 3.27Å; G303-G307 WeakPolarHBondContact O-CA 3.2Å; G303-G307 PolarHBondContact O-N 2.89Å; G307-Q539 WeakPolarHBondContact O-CG 3.17Å; G307-Q539 PolarHBondContact O-N 2.57Å
308	L	89.3	Confident	88.3	Confident	13 Å²	13	43.6 Å²	43.6	7%	0.068	22%	0.216	C	C	.	.			trans	-122.4	142.7	177.8	-174.5	68.1	0	0	0	110.3	G303 V306 S310 L313 A534 M535 K537 A538	G303-L308 CarbonylContact C-O 3.41Å; G303-L308 WeakPolarHBondContact CA-O 3.33Å; G303-L308 PolarHBondContact O-N 2.77Å; V306-L308 HydrophobicContact CG2-CB 3.87Å; L308-S310 PolarHBondContact O-N 2.98Å; L308-L313 HydrophobicContact CD2-CB 3.88Å; L308-L313 HydrophobicContact CD2-CD1 4.41Å; L308-L313 HydrophobicContact CD2-CD2 4.37Å; L308-L313 HydrophobicContact CD2-CG 4.45Å; L308-A534 WeakPolarHBondContact CD1-O 3.31Å; L308-A534 HydrophobicContact CD2-CB 4.47Å; L308-M535 HydrophobicContact CD2-CE 3.8Å; L308-K537 HydrophobicContact CD1-CB 4.19Å; L308-A538 HydrophobicContact CB-CB 4.44Å
309	N	88.4	Confident	88.4	Confident	84 Å²	84	43.5 Å²	43.5	45%	0.449	21%	0.213	S	C	.	.			trans	-68.4	126.7	173.8	-177.1	-6.8	0	0	0	110.2	E311 E312 L313	N309-E311 PolarHBondContact O-N 3.32Å; N309-E311 PolarHBondContact OD1-N 2.68Å; N309-E311 VanDerWaalsContact OD1-N 3.14Å; N309-E312 HydrophobicContact CB-CB 4.43Å; N309-E312 HydrophobicContact CB-CG 4.11Å; N309-E312 PolarHBondContact O-N 3.23Å; N309-L313 PolarHBondContact O-N 3.01Å
310	S	86.9	Confident	88.3	Confident	36 Å²	36	47.2 Å²	47.2	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-36.7	-179	51.5	0	0	0	0	112.9	V299 L308 E312 L313 E314	V299-S310 WeakPolarHBondContact CG1-O 3.35Å; L308-S310 PolarHBondContact O-N 2.98Å; S310-E312 VanDerWaalsContact C-N 3.31Å; S310-E312 PolarHBondContact O-N 3.4Å; S310-L313 PolarHBondContact O-N 3.43Å; S310-E314 WeakPolarHBondContact O-CB 3.38Å; S310-E314 PolarHBondContact O-N 3.18Å
311	E	87.3	Confident	87.9	Confident	120 Å²	120	42.1 Å²	42.1	56%	0.561	21%	0.21	S	C	*	.	H	α-helix	trans	-67.1	-31.8	178.5	-66.4	-178.3	-179.5	0	0	112.8	N309 R315	N309-E311 PolarHBondContact O-N 3.32Å; N309-E311 PolarHBondContact OD1-N 2.68Å; N309-E311 VanDerWaalsContact OD1-N 3.14Å; E311-R315 VanDerWaalsContact O-CB 3.26Å; E311-R315 WeakPolarHBondContact O-CB 3.36Å; E311-R315 PolarHBondContact O-N 2.97Å
312	E	86.9	Confident	87	Confident	46 Å²	46	43.7 Å²	43.7	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-72.2	-40.2	177.7	-69.1	-165.9	138.1	0	0	111.2	N309 S310 A316 K537	N309-E312 HydrophobicContact CB-CB 4.43Å; N309-E312 HydrophobicContact CB-CG 4.11Å; N309-E312 PolarHBondContact O-N 3.23Å; S310-E312 VanDerWaalsContact C-N 3.31Å; S310-E312 PolarHBondContact O-N 3.4Å; E312-A316 WeakPolarHBondContact O-CB 3.41Å; E312-A316 PolarHBondContact O-N 3.22Å; E312-K537 IonicContact OE1-NZ 3.03Å; E312-K537 PolarHBondContact OE1-NZ 3.41Å; E312-K537 WeakPolarHBondContact OE2-CD 3.37Å; E312-K537 IonicContact OE2-NZ 3.38Å
313	L	88.8	Confident	85.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-43	175.4	-178.1	52.4	0	0	0	111.3	V299 I302 L308 N309 S310 A316 L317 L345 M535	V299-L313 HydrophobicContact CG1-CB 3.94Å; V299-L313 HydrophobicContact CG1-CD2 3.97Å; V299-L313 HydrophobicContact CG1-CG 4.01Å; I302-L313 HydrophobicContact CB-CD2 4.35Å; I302-L313 HydrophobicContact CG2-CD2 3.73Å; L308-L313 HydrophobicContact CD2-CB 3.88Å; L308-L313 HydrophobicContact CD2-CD1 4.41Å; L308-L313 HydrophobicContact CD2-CD2 4.37Å; L308-L313 HydrophobicContact CD2-CG 4.45Å; N309-L313 PolarHBondContact O-N 3.01Å; S310-L313 PolarHBondContact O-N 3.43Å; L313-A316 PolarHBondContact O-N 3.25Å; L313-L317 HydrophobicContact CD1-CD1 4.08Å; L313-L317 HydrophobicContact CD1-CG 4.21Å; L313-L317 HydrophobicContact CG-CD1 4.08Å; L313-L317 VanDerWaalsContact O-CG 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.19Å; L313-L317 PolarHBondContact O-N 3.28Å; L313-L345 HydrophobicContact CD1-CD2 4.15Å; L313-M535 HydrophobicContact CD1-CE 3.81Å
314	E	90	Very high	84.8	Confident	67 Å²	67	51.7 Å²	51.7	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-49.8	174.5	177.9	160.2	-157.5	0	0	111.9	I293 S310 A316 L317 C318	I293-E314 HydrophobicContact CD1-CB 3.65Å; I293-E314 HydrophobicContact CD1-CG 3.55Å; I293-E314 HydrophobicContact CG1-CG 3.89Å; S310-E314 WeakPolarHBondContact O-CB 3.38Å; S310-E314 PolarHBondContact O-N 3.18Å; E314-A316 VanDerWaalsContact C-N 3.29Å; E314-A316 PolarHBondContact O-N 2.94Å; E314-L317 PolarHBondContact O-N 3.35Å; E314-L317 VanDerWaalsContact O-N 3.14Å; E314-C318 WeakPolarHBondContact O-CB 3.16Å; E314-C318 PolarHBondContact O-N 2.9Å
315	R	88.6	Confident	83.4	Confident	137 Å²	137	50.6 Å²	50.6	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-41.5	176.8	-167.7	-175.1	-53.5	119.9	5.6	111.8	E311 L317 S319	E311-R315 VanDerWaalsContact O-CB 3.26Å; E311-R315 WeakPolarHBondContact O-CB 3.36Å; E311-R315 PolarHBondContact O-N 2.97Å; R315-L317 VanDerWaalsContact C-N 3.32Å; R315-L317 PolarHBondContact O-N 3.45Å; R315-S319 WeakPolarHBondContact O-CB 3.43Å; R315-S319 PolarHBondContact O-N 3.35Å; R315-S319 PolarHBondContact O-OG 2.97Å
316	A	89.1	Confident	82.1	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-69.2	-28.1	179.7	0	0	0	0	0	113.4	E312 L313 E314 D530 L531 A534	E312-A316 WeakPolarHBondContact O-CB 3.41Å; E312-A316 PolarHBondContact O-N 3.22Å; L313-A316 PolarHBondContact O-N 3.25Å; E314-A316 VanDerWaalsContact C-N 3.29Å; E314-A316 PolarHBondContact O-N 2.94Å; A316-D530 HydrophobicContact CB-CB 4.27Å; A316-L531 HydrophobicContact CB-CD2 3.98Å; A316-L531 WeakPolarHBondContact O-CD2 3.47Å; A316-A534 HydrophobicContact CB-CB 3.98Å
317	L	88.6	Confident	81.5	Confident	5 Å²	5	65 Å²	65	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-81.3	-33.9	176.6	-72.2	169.4	0	0	0	112.8	I293 L313 E314 R315 A338 R342 L531	I293-L317 HydrophobicContact CD1-CD1 4.49Å; L313-L317 HydrophobicContact CD1-CD1 4.08Å; L313-L317 HydrophobicContact CD1-CG 4.21Å; L313-L317 HydrophobicContact CG-CD1 4.08Å; L313-L317 VanDerWaalsContact O-CG 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.19Å; L313-L317 PolarHBondContact O-N 3.28Å; E314-L317 PolarHBondContact O-N 3.35Å; E314-L317 VanDerWaalsContact O-N 3.14Å; R315-L317 VanDerWaalsContact C-N 3.32Å; R315-L317 PolarHBondContact O-N 3.45Å; L317-A338 WeakPolarHBondContact O-CA 3.48Å; L317-A338 WeakPolarHBondContact O-CB 3.48Å; L317-R342 HydrophobicContact CD2-CB 3.95Å; L317-L531 HydrophobicContact CD2-CD2 3.89Å; L317-L531 HydrophobicContact CG-CD2 4.33Å
318	C	89.1	Confident	81	Confident	12 Å²	12	69.6 Å²	69.6	8%	0.081	35%	0.35	C	S	.	.	H	α-helix	trans	-100.1	-8.6	-173.6	-67.9	0	0	0	0	114.2	S291 E314 L333	S291-C318 WeakPolarHBondContact O-CB 3.48Å; S291-C318 PolarHBondContact O-SG 3.46Å; E314-C318 WeakPolarHBondContact O-CB 3.16Å; E314-C318 PolarHBondContact O-N 2.9Å; C318-L333 WeakPolarHBondContact O-CB 3.39Å; C318-L333 PolarHBondContact O-N 2.62Å
319	S	86.8	Confident	80.6	Confident	16 Å²	16	72.4 Å²	72.4	11%	0.112	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.7	179.8	74	0	0	0	0	112.6	R315 T331	R315-S319 WeakPolarHBondContact O-CB 3.43Å; R315-S319 PolarHBondContact O-N 3.35Å; R315-S319 PolarHBondContact O-OG 2.97Å; S319-T331 CarbonylContact C-O 3.54Å; S319-T331 WeakPolarHBondContact CA-O 3.37Å
320	R	84.5	Confident	80.3	Confident	78 Å²	78	72.5 Å²	72.5	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.7	174.6	-177.2	-175.1	76.4	-170.9	-2.2	110.2	M322 T331 L333 F528 D530	R320-M322 VanDerWaalsContact CZ-CE 3.47Å; R320-M322 PolarHBondContact NH2-SD 2.68Å; R320-T331 PolarHBondContact N-O 3.45Å; R320-T331 PolarHBondContact O-N 2.94Å; R320-L333 HydrophobicContact CB-CD2 3.96Å; R320-L333 HydrophobicContact CB-CG 4.44Å; R320-F528 HydrophobicContact CG-CD1 4.18Å; R320-F528 HydrophobicContact CG-CD2 4.49Å; R320-F528 HydrophobicContact CG-CG 4.15Å; R320-D530 WeakPolarHBondContact CA-OD2 3.37Å
321	T	81.8	Confident	80.2	Confident	18 Å²	18	73.7 Å²	73.7	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.7	173	-47.2	0	0	0	0	111	E323 K328 V329 V330 D530	T321-E323 HydrophobicContact CG2-CG 4.5Å; T321-K328 HydrophobicContact CG2-CD 3.89Å; T321-K328 HydrophobicContact CG2-CG 3.31Å; T321-V329 CarbonylContact C-O 3.57Å; T321-V329 WeakPolarHBondContact CA-O 3.31Å; T321-V330 HydrophobicContact CG2-CG2 4.13Å; T321-D530 WeakPolarHBondContact CB-OD1 3.23Å; T321-D530 PolarHBondContact N-OD2 3.39Å; T321-D530 PolarHBondContact OG1-OD1 3.38Å
322	M	71.3	Confident	80.1	Confident	85 Å²	85	69.1 Å²	69.1	42%	0.419	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.1	168	-70.5	-179.2	132.7	0	0	109.7	R320 V329	R320-M322 VanDerWaalsContact CZ-CE 3.47Å; R320-M322 PolarHBondContact NH2-SD 2.68Å; M322-V329 PolarHBondContact N-O 3.35Å; M322-V329 PolarHBondContact O-N 3.48Å
323	E	66.8	Low	80	Confident	83 Å²	83	67.1 Å²	67.1	39%	0.388	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.5	169.6	-81.6	177.4	-157	0	0	109.6	T321 K328 R529	T321-E323 HydrophobicContact CG2-CG 4.5Å; E323-K328 HydrophobicContact CG-CB 3.89Å; E323-K328 HydrophobicContact CG-CD 4.01Å; E323-K328 HydrophobicContact CG-CG 3.64Å; E323-K328 VanDerWaalsContact OE1-CD 3.22Å; E323-K328 WeakPolarHBondContact OE1-CD 3.35Å; E323-K328 WeakPolarHBondContact OE1-CE 3.08Å; E323-K328 IonicContact OE1-NZ 3.99Å; E323-K328 PolarHBondContact OE1-NZ 3.48Å; E323-R529 VanDerWaalsContact CD-CZ 3.5Å; E323-R529 IonicContact OE1-CZ 3.83Å; E323-R529 IonicContact OE1-NH1 3.07Å; E323-R529 IonicContact OE1-NH2 3.06Å; E323-R529 PolarHBondContact OE1-NH2 2.7Å; E323-R529 IonicContact OE2-CZ 3.4Å; E323-R529 IonicContact OE2-NH1 3.83Å; E323-R529 PolarHBondContact OE2-NH1 3.49Å; E323-R529 IonicContact OE2-NH2 3.06Å; E323-R529 PolarHBondContact OE2-NH2 3.05Å
324	T	64.2	Low	79.7	Confident	92 Å²	92	69.8 Å²	69.8	56%	0.564	36%	0.364	S	S	*	.			trans	-97.2	166.1	163.1	59.4	0	0	0	0	108.8	K326 E327	T324-K326 PolarHBondContact O-N 2.87Å; T324-E327 PolarHBondContact N-O 2.87Å; T324-E327 PolarHBondContact O-N 3.21Å; T324-E327 PolarHBondContact OG1-N 3.38Å; T324-E327 PolarHBondContact OG1-O 2.8Å; T324-E327 VanDerWaalsContact OG1-O 3.05Å
325	A	60.5	Low	79.5	Confident	115 Å²	115	67.7 Å²	67.7	95%	0.95	36%	0.356	S	S	*	.	S	Bend	trans	-57.8	-10.9	179.8	0	0	0	0	0	114.6
326	K	59.1	Low	79	Confident	196 Å²	196	66.3 Å²	66.3	85%	0.852	36%	0.357	S	S	*	.	S	Bend	trans	-120.4	-28.6	-178.4	-63.2	-174.5	178.9	-176.8	0	114	T324	T324-K326 PolarHBondContact O-N 2.87Å
327	E	75.9	Confident	78.5	Confident	132 Å²	132	70.1 Å²	70.1	62%	0.617	37%	0.374	S	S	*	.			trans	-146.4	147.9	-172.3	-66.6	180	-177.8	0	0	113.6	T324	T324-E327 PolarHBondContact N-O 2.87Å; T324-E327 PolarHBondContact O-N 3.21Å; T324-E327 PolarHBondContact OG1-N 3.38Å; T324-E327 PolarHBondContact OG1-O 2.8Å; T324-E327 VanDerWaalsContact OG1-O 3.05Å
328	K	76.8	Confident	78.4	Confident	123 Å²	123	69.9 Å²	69.9	54%	0.535	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	105.7	173.1	-175.2	171.8	-170.9	163.6	0	109.3	T321 E323	T321-K328 HydrophobicContact CG2-CD 3.89Å; T321-K328 HydrophobicContact CG2-CG 3.31Å; E323-K328 HydrophobicContact CG-CB 3.89Å; E323-K328 HydrophobicContact CG-CD 4.01Å; E323-K328 HydrophobicContact CG-CG 3.64Å; E323-K328 VanDerWaalsContact OE1-CD 3.22Å; E323-K328 WeakPolarHBondContact OE1-CD 3.35Å; E323-K328 WeakPolarHBondContact OE1-CE 3.08Å; E323-K328 IonicContact OE1-NZ 3.99Å; E323-K328 PolarHBondContact OE1-NZ 3.48Å
329	V	80.9	Confident	78.2	Confident	72 Å²	72	73 Å²	73	44%	0.436	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.1	-178.4	-178	0	0	0	0	109.4	T321 M322	T321-V329 CarbonylContact C-O 3.57Å; T321-V329 WeakPolarHBondContact CA-O 3.31Å; M322-V329 PolarHBondContact N-O 3.35Å; M322-V329 PolarHBondContact O-N 3.48Å
330	V	82.8	Confident	77.8	Confident	86 Å²	86	77.8 Å²	77.8	52%	0.521	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.6	173.8	-176.9	0	0	0	0	108.9	T321	T321-V330 HydrophobicContact CG2-CG2 4.13Å
331	T	84.5	Confident	77.8	Confident	61 Å²	61	74.1 Å²	74.1	37%	0.374	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.3	178.1	-46	0	0	0	0	109.1	S319 R320	S319-T331 CarbonylContact C-O 3.54Å; S319-T331 WeakPolarHBondContact CA-O 3.37Å; R320-T331 PolarHBondContact N-O 3.45Å; R320-T331 PolarHBondContact O-N 2.94Å
332	A	85.6	Confident	78.2	Confident	23 Å²	23	74.7 Å²	74.7	19%	0.19	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	144.1	171.6	0	0	0	0	0	110.6	Q284 A290	Q284-A332 HydrophobicContact CG-CB 4.44Å; A290-A332 HydrophobicContact CB-CB 3.8Å
333	L	84.4	Confident	78.9	Confident	5 Å²	5	72 Å²	72	3%	0.026	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-93.1	143.3	177	-60.7	178.6	0	0	0	109.2	A290 S291 C318 R320 Q337 A338 A341 F528	A290-L333 CarbonylContact C-O 3.56Å; A290-L333 VanDerWaalsContact C-O 3.24Å; A290-L333 WeakPolarHBondContact CA-O 3.31Å; S291-L333 VanDerWaalsContact CB-O 3.26Å; S291-L333 WeakPolarHBondContact CB-O 3.43Å; S291-L333 PolarHBondContact N-O 3.42Å; S291-L333 PolarHBondContact OG-O 2.97Å; C318-L333 WeakPolarHBondContact O-CB 3.39Å; C318-L333 PolarHBondContact O-N 2.62Å; R320-L333 HydrophobicContact CB-CD2 3.96Å; R320-L333 HydrophobicContact CB-CG 4.44Å; L333-Q337 HydrophobicContact CB-CB 3.89Å; L333-Q337 HydrophobicContact CD2-CB 4.12Å; L333-Q337 HydrophobicContact CG-CB 4.43Å; L333-A338 HydrophobicContact CB-CB 4.4Å; L333-A341 HydrophobicContact CD1-CB 4.27Å; L333-F528 HydrophobicContact CD1-CD2 4.19Å; L333-F528 HydrophobicContact CD1-CE2 3.71Å; L333-F528 HydrophobicContact CD2-CE2 4.41Å
334	N	82.9	Confident	79.7	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.294	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-75	170.5	168.2	67.5	32.8	0	0	0	110.9	M336 Q337 A338	N334-M336 VanDerWaalsContact C-N 3.32Å; N334-M336 PolarHBondContact O-N 2.96Å; N334-M336 PolarHBondContact OD1-N 3.02Å; N334-Q337 PolarHBondContact O-N 2.85Å; N334-Q337 VanDerWaalsContact O-N 3.12Å; N334-Q337 WeakPolarHBondContact OD1-CB 3.25Å; N334-Q337 WeakPolarHBondContact OD1-CG 3.48Å; N334-Q337 PolarHBondContact OD1-N 3.11Å; N334-A338 PolarHBondContact O-N 3.31Å
335	V	84.4	Confident	81	Confident	23 Å²	23	64 Å²	64	14%	0.139	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-45.1	-176.2	173	0	0	0	0	112.9	V279 D281 A338 Q339	V279-V335 HydrophobicContact CB-CG1 4.33Å; V279-V335 HydrophobicContact CG1-CB 4.47Å; V279-V335 HydrophobicContact CG1-CG1 4.27Å; V279-V335 HydrophobicContact CG1-CG2 4.25Å; D281-V335 HydrophobicContact CB-CG2 4.21Å; D281-V335 WeakPolarHBondContact OD1-CG2 3.39Å; V335-A338 PolarHBondContact O-N 2.92Å; V335-Q339 WeakPolarHBondContact O-CG 3.29Å; V335-Q339 PolarHBondContact O-N 2.99Å
336	M	78.4	Confident	82.5	Confident	109 Å²	109	58.5 Å²	58.5	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-44.3	178.5	-79.6	-165.1	56.4	0	0	112.2	N334 A338 Q339 Y340	N334-M336 VanDerWaalsContact C-N 3.32Å; N334-M336 PolarHBondContact O-N 2.96Å; N334-M336 PolarHBondContact OD1-N 3.02Å; M336-A338 VanDerWaalsContact C-N 3.34Å; M336-A338 PolarHBondContact O-N 3.3Å; M336-Q339 PolarHBondContact O-N 3.11Å; M336-Y340 HydrophobicContact CE-CE2 3.87Å; M336-Y340 WeakPolarHBondContact CE-OH 3.3Å; M336-Y340 VanDerWaalsContact O-CD2 3.26Å; M336-Y340 WeakPolarHBondContact O-CD2 3.47Å; M336-Y340 PolarHBondContact O-N 3.24Å
337	Q	80.2	Confident	83.9	Confident	84 Å²	84	51.5 Å²	51.5	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-38.3	178.6	-73.5	170.8	-18.1	0	0	112	L333 N334 Y340 A341	L333-Q337 HydrophobicContact CB-CB 3.89Å; L333-Q337 HydrophobicContact CD2-CB 4.12Å; L333-Q337 HydrophobicContact CG-CB 4.43Å; N334-Q337 PolarHBondContact O-N 2.85Å; N334-Q337 VanDerWaalsContact O-N 3.12Å; N334-Q337 WeakPolarHBondContact OD1-CB 3.25Å; N334-Q337 WeakPolarHBondContact OD1-CG 3.48Å; N334-Q337 PolarHBondContact OD1-N 3.11Å; Q337-Y340 PolarHBondContact O-N 3.17Å; Q337-A341 WeakPolarHBondContact O-CB 2.98Å; Q337-A341 PolarHBondContact O-N 3.16Å
338	A	84.6	Confident	84.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69	-37.9	175.8	0	0	0	0	0	112.3	V279 S291 L317 L333 N334 V335 M336 Y340 A341 R342	V279-A338 HydrophobicContact CG1-CB 3.84Å; V279-A338 HydrophobicContact CG2-CB 4.22Å; S291-A338 WeakPolarHBondContact OG-CB 3.36Å; L317-A338 WeakPolarHBondContact O-CA 3.48Å; L317-A338 WeakPolarHBondContact O-CB 3.48Å; L333-A338 HydrophobicContact CB-CB 4.4Å; N334-A338 PolarHBondContact O-N 3.31Å; V335-A338 PolarHBondContact O-N 2.92Å; M336-A338 VanDerWaalsContact C-N 3.34Å; M336-A338 PolarHBondContact O-N 3.3Å; A338-Y340 VanDerWaalsContact C-N 3.35Å; A338-A341 WeakPolarHBondContact O-CB 3.46Å; A338-A341 PolarHBondContact O-N 3.39Å; A338-R342 WeakPolarHBondContact O-CB 3.11Å; A338-R342 PolarHBondContact O-N 3.09Å
339	Q	84.8	Confident	85.3	Confident	76 Å²	76	39.9 Å²	39.9	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-43.3	170.7	-73.4	174.4	-4.3	0	0	111.5	V279 V335 M336 A341 R342 D343	V279-Q339 HydrophobicContact CB-CG 4.45Å; V279-Q339 HydrophobicContact CG2-CG 4.22Å; V335-Q339 WeakPolarHBondContact O-CG 3.29Å; V335-Q339 PolarHBondContact O-N 2.99Å; M336-Q339 PolarHBondContact O-N 3.11Å; Q339-A341 VanDerWaalsContact C-N 3.35Å; Q339-A341 PolarHBondContact O-N 3.31Å; Q339-R342 WeakPolarHBondContact O-CB 3.18Å; Q339-R342 PolarHBondContact O-N 3.06Å; Q339-D343 WeakPolarHBondContact O-CB 3.24Å; Q339-D343 VanDerWaalsContact O-CG 3.32Å; Q339-D343 PolarHBondContact O-N 2.82Å
340	Y	80.3	Confident	86	Confident	117 Å²	117	36.5 Å²	36.5	46%	0.459	19%	0.186	S	C	.	.	H	α-helix	trans	-64.2	-37.9	173.9	-67.8	-37.3	0	0	0	112.7	M336 Q337 A338 D343 A344	M336-Y340 HydrophobicContact CE-CE2 3.87Å; M336-Y340 WeakPolarHBondContact CE-OH 3.3Å; M336-Y340 VanDerWaalsContact O-CD2 3.26Å; M336-Y340 WeakPolarHBondContact O-CD2 3.47Å; M336-Y340 PolarHBondContact O-N 3.24Å; Q337-Y340 PolarHBondContact O-N 3.17Å; A338-Y340 VanDerWaalsContact C-N 3.35Å; Y340-D343 PolarHBondContact O-N 2.75Å; Y340-A344 WeakPolarHBondContact O-CB 3.42Å; Y340-A344 PolarHBondContact O-N 2.74Å
341	A	83.5	Confident	86.4	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-45.4	175.5	0	0	0	0	0	111.7	L333 Q337 A338 Q339 A344 L345 F528 L531	L333-A341 HydrophobicContact CD1-CB 4.27Å; Q337-A341 WeakPolarHBondContact O-CB 2.98Å; Q337-A341 PolarHBondContact O-N 3.16Å; A338-A341 WeakPolarHBondContact O-CB 3.46Å; A338-A341 PolarHBondContact O-N 3.39Å; Q339-A341 VanDerWaalsContact C-N 3.35Å; Q339-A341 PolarHBondContact O-N 3.31Å; A341-A344 PolarHBondContact O-N 3.27Å; A341-L345 WeakPolarHBondContact O-CB 3.18Å; A341-L345 PolarHBondContact O-N 2.71Å; A341-F528 HydrophobicContact CB-CD2 4.09Å; A341-F528 HydrophobicContact CB-CE2 3.87Å; A341-L531 HydrophobicContact CB-CD1 4.23Å
342	R	89.8	Confident	86.7	Confident	30 Å²	30	32.5 Å²	32.5	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-50.6	173.9	-179.7	-160.3	74.3	170.8	1.6	111.7	L274 G275 V277 L317 A338 Q339 L345 A346	L274-R342 VanDerWaalsContact O-CD 3.25Å; L274-R342 WeakPolarHBondContact O-CD 3.46Å; G275-R342 PolarHBondContact O-NH1 3.47Å; G275-R342 VanDerWaalsContact O-NH1 3.16Å; V277-R342 WeakPolarHBondContact O-CD 3.45Å; V277-R342 PolarHBondContact O-NH1 3.41Å; L317-R342 HydrophobicContact CD2-CB 3.95Å; A338-R342 WeakPolarHBondContact O-CB 3.11Å; A338-R342 PolarHBondContact O-N 3.09Å; Q339-R342 WeakPolarHBondContact O-CB 3.18Å; Q339-R342 PolarHBondContact O-N 3.06Å; R342-L345 WeakPolarHBondContact O-CB 3.37Å; R342-L345 PolarHBondContact O-N 3.37Å; R342-A346 PolarHBondContact O-N 2.88Å
343	D	86.8	Confident	87.2	Confident	28 Å²	28	31.4 Å²	31.4	15%	0.15	15%	0.147	C	C	.	.	H	α-helix	trans	-67.5	-37.7	-179.2	-70.4	-4.1	0	0	0	111.5	V189 Y227 Q339 Y340 L345 A346 K347	V189-D343 HydrophobicContact CB-CB 4.2Å; V189-D343 HydrophobicContact CG1-CB 3.93Å; V189-D343 HydrophobicContact CG2-CB 4.28Å; Y227-D343 PolarHBondContact OH-OD1 3.46Å; Q339-D343 WeakPolarHBondContact O-CB 3.24Å; Q339-D343 VanDerWaalsContact O-CG 3.32Å; Q339-D343 PolarHBondContact O-N 2.82Å; Y340-D343 PolarHBondContact O-N 2.75Å; D343-L345 VanDerWaalsContact C-N 3.35Å; D343-A346 PolarHBondContact O-N 2.94Å; D343-K347 VanDerWaalsContact C-CE 3.45Å; D343-K347 WeakPolarHBondContact O-CB 3.41Å; D343-K347 WeakPolarHBondContact O-CE 3.42Å; D343-K347 VanDerWaalsContact O-CG 3.22Å; D343-K347 WeakPolarHBondContact O-CG 3.42Å; D343-K347 PolarHBondContact O-N 3.27Å
344	A	84.2	Confident	87.7	Confident	8 Å²	8	31.2 Å²	31.2	7%	0.066	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-42.4	173.6	0	0	0	0	0	111.4	Y340 A341 N348	Y340-A344 WeakPolarHBondContact O-CB 3.42Å; Y340-A344 PolarHBondContact O-N 2.74Å; A341-A344 PolarHBondContact O-N 3.27Å; A344-N348 WeakPolarHBondContact O-CB 3.49Å; A344-N348 PolarHBondContact O-N 3.4Å; A344-N348 PolarHBondContact O-ND2 3.36Å
345	L	90.3	Very high	88.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-51.3	174.1	179.8	63	0	0	0	110.9	L274 L313 A341 R342 D343 K347 N348 V349 L527 L531 M535 F547	L274-L345 HydrophobicContact CD1-CD2 3.99Å; L274-L345 HydrophobicContact CD1-CG 4.09Å; L274-L345 HydrophobicContact CD2-CD2 4.11Å; L313-L345 HydrophobicContact CD1-CD2 4.15Å; A341-L345 WeakPolarHBondContact O-CB 3.18Å; A341-L345 PolarHBondContact O-N 2.71Å; R342-L345 WeakPolarHBondContact O-CB 3.37Å; R342-L345 PolarHBondContact O-N 3.37Å; D343-L345 VanDerWaalsContact C-N 3.35Å; L345-K347 PolarHBondContact O-N 3.06Å; L345-N348 PolarHBondContact O-N 3.08Å; L345-V349 HydrophobicContact CD1-CG2 3.8Å; L345-V349 HydrophobicContact CG-CG2 4.16Å; L345-V349 WeakPolarHBondContact O-CB 3.47Å; L345-V349 VanDerWaalsContact O-CG2 3.25Å; L345-V349 WeakPolarHBondContact O-CG2 3.12Å; L345-V349 PolarHBondContact O-N 3.44Å; L345-L527 HydrophobicContact CB-CD1 4.49Å; L345-L527 HydrophobicContact CD1-CD1 4.22Å; L345-L531 HydrophobicContact CB-CD1 4.38Å; L345-L531 HydrophobicContact CB-CD2 4.49Å; L345-L531 HydrophobicContact CD1-CB 4.37Å; L345-L531 HydrophobicContact CD2-CD2 4.22Å; L345-M535 HydrophobicContact CD1-CE 4.4Å; L345-M535 HydrophobicContact CD1-CG 3.67Å; L345-M535 HydrophobicContact CD1-SD 3.91Å; L345-M535 HydrophobicContact CD2-CE 4.06Å; L345-M535 HydrophobicContact CD2-SD 4.34Å; L345-F547 HydrophobicContact CD1-CZ 4.46Å
346	A	92.3	Very high	88.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-47.6	-179.9	0	0	0	0	0	112.6	V189 Y227 V271 L274 R342 D343 N348 Y350	V189-A346 HydrophobicContact CG1-CB 3.97Å; Y227-A346 HydrophobicContact CE2-CB 3.62Å; V271-A346 HydrophobicContact CG1-CB 4.29Å; L274-A346 HydrophobicContact CB-CB 4.49Å; L274-A346 HydrophobicContact CD1-CB 4.34Å; R342-A346 PolarHBondContact O-N 2.88Å; D343-A346 PolarHBondContact O-N 2.94Å; A346-N348 PolarHBondContact O-N 2.81Å; A346-Y350 WeakPolarHBondContact O-CB 3.48Å; A346-Y350 PolarHBondContact O-N 2.84Å
347	K	88.8	Confident	89.5	Confident	48 Å²	48	27.7 Å²	27.7	21%	0.209	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-45.3	176.8	-73.4	-179.5	-82.6	176	0	112.6	K185 V188 V189 D343 L345 S351	K185-K347 HydrophobicContact CB-CB 4.25Å; K185-K347 HydrophobicContact CB-CG 4.49Å; K185-K347 WeakPolarHBondContact O-CG 3.35Å; V188-K347 HydrophobicContact CB-CG 4.39Å; V189-K347 HydrophobicContact CG1-CD 4.34Å; V189-K347 HydrophobicContact CG1-CG 3.72Å; V189-K347 HydrophobicContact CG2-CD 3.78Å; V189-K347 HydrophobicContact CG2-CG 4.03Å; D343-K347 VanDerWaalsContact C-CE 3.45Å; D343-K347 WeakPolarHBondContact O-CB 3.41Å; D343-K347 WeakPolarHBondContact O-CE 3.42Å; D343-K347 VanDerWaalsContact O-CG 3.22Å; D343-K347 WeakPolarHBondContact O-CG 3.42Å; D343-K347 PolarHBondContact O-N 3.27Å; L345-K347 PolarHBondContact O-N 3.06Å; K347-S351 WeakPolarHBondContact O-CB 3.33Å; K347-S351 PolarHBondContact O-N 3.31Å
348	N	87.7	Confident	90.1	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.064	11%	0.106	C	C	.	.	H	α-helix	trans	-73.8	-40	-177.2	-82.2	-81.9	0	0	0	112.2	A344 L345 A346 Y350 S351 R352 L527	A344-N348 WeakPolarHBondContact O-CB 3.49Å; A344-N348 PolarHBondContact O-N 3.4Å; A344-N348 PolarHBondContact O-ND2 3.36Å; L345-N348 PolarHBondContact O-N 3.08Å; A346-N348 PolarHBondContact O-N 2.81Å; N348-Y350 VanDerWaalsContact C-N 3.34Å; N348-Y350 PolarHBondContact O-N 3.4Å; N348-S351 PolarHBondContact O-N 2.95Å; N348-R352 WeakPolarHBondContact O-CB 3.35Å; N348-R352 WeakPolarHBondContact O-CG 3.32Å; N348-R352 PolarHBondContact O-N 3.05Å; N348-L527 HydrophobicContact CB-CD1 4.31Å; N348-L527 HydrophobicContact CB-CD2 4.29Å
349	V	93.8	Very high	90.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-49.7	172.9	172.1	0	0	0	0	109.9	V267 V271 L345 R352 L353 L543 F547	V267-V349 HydrophobicContact CG1-CG1 3.4Å; V271-V349 HydrophobicContact CG2-CB 4.01Å; V271-V349 HydrophobicContact CG2-CG1 3.59Å; L345-V349 HydrophobicContact CD1-CG2 3.8Å; L345-V349 HydrophobicContact CG-CG2 4.16Å; L345-V349 WeakPolarHBondContact O-CB 3.47Å; L345-V349 VanDerWaalsContact O-CG2 3.25Å; L345-V349 WeakPolarHBondContact O-CG2 3.12Å; L345-V349 PolarHBondContact O-N 3.44Å; V349-R352 PolarHBondContact O-N 3.42Å; V349-L353 VanDerWaalsContact O-CB 3.26Å; V349-L353 WeakPolarHBondContact O-CB 3.23Å; V349-L353 PolarHBondContact O-N 3.42Å; V349-L543 HydrophobicContact CG1-CD1 4.28Å; V349-L543 HydrophobicContact CG2-CD1 4.44Å; V349-F547 HydrophobicContact CB-CZ 4.43Å; V349-F547 HydrophobicContact CG2-CE2 3.86Å; V349-F547 HydrophobicContact CG2-CZ 3.59Å
350	Y	95.4	Very high	90.8	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-45.6	-179.5	-169.9	-90.5	0	0	0	112.7	F145 L183 V188 F198 I200 F201 V271 A346 N348 R352 L353 F354	F145-Y350 VanDerWaalsContact C-OH 3.3Å; F145-Y350 VanDerWaalsContact CA-OH 3.28Å; F145-Y350 WeakPolarHBondContact CA-OH 3.48Å; F145-Y350 HydrophobicContact CD1-CE2 4.23Å; F145-Y350 WeakPolarHBondContact O-CE1 3.28Å; F145-Y350 PolarHBondContact O-OH 3.05Å; L183-Y350 HydrophobicContact CD2-CD1 4.22Å; L183-Y350 HydrophobicContact CD2-CE1 4.36Å; V188-Y350 HydrophobicContact CG1-CG 4.4Å; V188-Y350 HydrophobicContact CG2-CD1 3.52Å; V188-Y350 HydrophobicContact CG2-CD2 4.48Å; V188-Y350 HydrophobicContact CG2-CE1 4.18Å; V188-Y350 HydrophobicContact CG2-CG 3.7Å; F198-Y350 WeakPolarHBondContact CB-OH 3.37Å; F198-Y350 HydrophobicContact CD2-CD1 4.31Å; F198-Y350 AromaticContact CD2-CE1 3.46Å; F198-Y350 HydrophobicContact CD2-CE1 3.46Å; F198-Y350 VanDerWaalsContact CD2-CE1 3.46Å; F198-Y350 HydrophobicContact CD2-CE2 4.49Å; F198-Y350 AromaticContact CD2-CZ 3.57Å; F198-Y350 WeakPolarHBondContact CD2-OH 3.36Å; F198-Y350 HydrophobicContact CE2-CD1 4.21Å; F198-Y350 AromaticContact CE2-CE1 3.61Å; F198-Y350 HydrophobicContact CE2-CE1 3.61Å; F198-Y350 HydrophobicContact CG-CE1 4.04Å; F198-Y350 AromaticContact CG-CZ 3.87Å; F198-Y350 VanDerWaalsContact CG-OH 3.26Å; F198-Y350 WeakPolarHBondContact CG-OH 3.18Å; F198-Y350 HydrophobicContact CZ-CE1 4.28Å; I200-Y350 HydrophobicContact CG2-CE2 4.18Å; F201-Y350 HydrophobicContact CE1-CE2 4.43Å; F201-Y350 HydrophobicContact CE2-CD2 4.22Å; F201-Y350 AromaticContact CE2-CE2 3.72Å; F201-Y350 HydrophobicContact CE2-CE2 3.72Å; F201-Y350 AromaticContact CZ-CD2 3.67Å; F201-Y350 HydrophobicContact CZ-CD2 3.67Å; F201-Y350 AromaticContact CZ-CE2 3.52Å; F201-Y350 HydrophobicContact CZ-CE2 3.52Å; V271-Y350 HydrophobicContact CG1-CD2 4.42Å; A346-Y350 WeakPolarHBondContact O-CB 3.48Å; A346-Y350 PolarHBondContact O-N 2.84Å; N348-Y350 VanDerWaalsContact C-N 3.34Å; N348-Y350 PolarHBondContact O-N 3.4Å; Y350-R352 PolarHBondContact O-N 3.22Å; Y350-L353 PolarHBondContact O-N 2.99Å; Y350-F354 PolarHBondContact O-N 3.47Å
351	S	91.1	Very high	91.3	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-45.1	178.6	-173.2	0	0	0	0	111.9	K185 K347 N348 F354 D355	K185-S351 WeakPolarHBondContact CE-OG 3.18Å; K347-S351 WeakPolarHBondContact O-CB 3.33Å; K347-S351 PolarHBondContact O-N 3.31Å; N348-S351 PolarHBondContact O-N 2.95Å; S351-F354 WeakPolarHBondContact O-CB 3.46Å; S351-F354 PolarHBondContact O-N 3.47Å; S351-D355 VanDerWaalsContact O-CG 3.31Å; S351-D355 PolarHBondContact O-N 3.07Å
352	R	92.1	Very high	91.7	Very high	53 Å²	53	21.4 Å²	21.4	20%	0.2	10%	0.101	C	C	.	.	H	α-helix	trans	-72	-34.3	-179.8	-65.3	-176.8	-166.5	-161.9	3.4	112.2	N348 V349 Y350 F354 D355 W356 L546 E549	N348-R352 WeakPolarHBondContact O-CB 3.35Å; N348-R352 WeakPolarHBondContact O-CG 3.32Å; N348-R352 PolarHBondContact O-N 3.05Å; V349-R352 PolarHBondContact O-N 3.42Å; Y350-R352 PolarHBondContact O-N 3.22Å; R352-F354 VanDerWaalsContact C-N 3.29Å; R352-D355 PolarHBondContact O-N 2.99Å; R352-W356 WeakPolarHBondContact O-CB 3.38Å; R352-W356 PolarHBondContact O-N 3.28Å; R352-L546 HydrophobicContact CB-CB 4.09Å; R352-L546 HydrophobicContact CB-CD1 4.39Å; R352-L546 HydrophobicContact CB-CD2 4.15Å; R352-L546 HydrophobicContact CB-CG 4.42Å; R352-L546 WeakPolarHBondContact CD-O 3.44Å; R352-L546 PolarHBondContact NH1-O 3.5Å; R352-L546 WeakPolarHBondContact O-CD2 3.47Å; R352-E549 IonicContact CZ-OE1 3.31Å; R352-E549 IonicContact CZ-OE2 3.42Å; R352-E549 IonicContact NH1-OE1 3.31Å; R352-E549 PolarHBondContact NH1-OE1 3.19Å; R352-E549 IonicContact NH1-OE2 3.13Å; R352-E549 PolarHBondContact NH1-OE2 3.03Å; R352-E549 IonicContact NH2-OE1 3.33Å; R352-E549 PolarHBondContact NH2-OE1 3.01Å
353	L	96	Very high	91.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-44.7	170.5	176.9	64.3	0	0	0	110.4	F145 V264 V267 V349 Y350 W356 I357 L542 L546	F145-L353 HydrophobicContact CE1-CD2 4.05Å; V264-L353 HydrophobicContact CG1-CD1 4.34Å; V264-L353 HydrophobicContact CG2-CD1 4.19Å; V267-L353 HydrophobicContact CB-CD1 4.43Å; V267-L353 HydrophobicContact CB-CD2 4.19Å; V267-L353 HydrophobicContact CG1-CB 4.42Å; V267-L353 HydrophobicContact CG1-CD1 4.36Å; V267-L353 HydrophobicContact CG1-CD2 3.93Å; V267-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 VanDerWaalsContact O-CB 3.26Å; V349-L353 WeakPolarHBondContact O-CB 3.23Å; V349-L353 PolarHBondContact O-N 3.42Å; Y350-L353 PolarHBondContact O-N 2.99Å; L353-W356 PolarHBondContact O-N 3.37Å; L353-I357 HydrophobicContact CD1-CD1 4.37Å; L353-I357 HydrophobicContact CD1-CG1 4.49Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 VanDerWaalsContact O-CG1 3.3Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 3.49Å; L353-L542 HydrophobicContact CD1-CD2 3.81Å; L353-L542 HydrophobicContact CD1-CG 4.49Å; L353-L546 HydrophobicContact CB-CD1 4.11Å
354	F	95.3	Very high	91.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-45.5	176.5	-174.9	-115.8	0	0	0	112.2	L142 F145 F159 N180 L183 Y350 S351 R352 W356 I357 V358	L142-F354 HydrophobicContact CD2-CE2 4.05Å; L142-F354 HydrophobicContact CD2-CZ 4.28Å; F145-F354 HydrophobicContact CB-CD2 3.56Å; F145-F354 HydrophobicContact CB-CE2 3.86Å; F159-F354 HydrophobicContact CB-CE1 4.38Å; F159-F354 HydrophobicContact CD1-CE1 4.5Å; F159-F354 HydrophobicContact CD1-CZ 4.05Å; F159-F354 AromaticContact CD2-CE1 3.81Å; F159-F354 HydrophobicContact CD2-CE1 3.81Å; F159-F354 AromaticContact CD2-CZ 3.73Å; F159-F354 HydrophobicContact CD2-CZ 3.73Å; F159-F354 HydrophobicContact CE1-CZ 4.04Å; F159-F354 HydrophobicContact CE2-CE1 4.2Å; F159-F354 AromaticContact CE2-CZ 3.69Å; F159-F354 HydrophobicContact CE2-CZ 3.69Å; F159-F354 AromaticContact CG-CE1 3.98Å; F159-F354 HydrophobicContact CG-CE1 3.98Å; F159-F354 AromaticContact CG-CZ 3.92Å; F159-F354 HydrophobicContact CG-CZ 3.92Å; F159-F354 AromaticContact CZ-CZ 3.87Å; F159-F354 HydrophobicContact CZ-CZ 3.87Å; N180-F354 HydrophobicContact CB-CE1 3.82Å; N180-F354 HydrophobicContact CB-CZ 4.5Å; N180-F354 WeakPolarHBondContact ND2-CD1 3.29Å; N180-F354 WeakPolarHBondContact ND2-CE1 3.39Å; L183-F354 HydrophobicContact CB-CD1 4.46Å; L183-F354 HydrophobicContact CD1-CD1 4.06Å; L183-F354 HydrophobicContact CD1-CE1 4.07Å; L183-F354 HydrophobicContact CD2-CB 4.07Å; L183-F354 HydrophobicContact CD2-CD1 3.85Å; L183-F354 HydrophobicContact CD2-CG 4.17Å; L183-F354 HydrophobicContact CG-CD1 4.34Å; Y350-F354 PolarHBondContact O-N 3.47Å; S351-F354 WeakPolarHBondContact O-CB 3.46Å; S351-F354 PolarHBondContact O-N 3.47Å; R352-F354 VanDerWaalsContact C-N 3.29Å; F354-W356 VanDerWaalsContact C-N 3.29Å; F354-W356 PolarHBondContact O-N 2.91Å; F354-I357 PolarHBondContact O-N 3.31Å; F354-V358 HydrophobicContact CE1-CG2 4.47Å; F354-V358 HydrophobicContact CZ-CG2 4.41Å; F354-V358 WeakPolarHBondContact O-CG2 3.36Å; F354-V358 PolarHBondContact O-N 2.8Å
355	D	92.2	Very high	91.4	Very high	57 Å²	57	26.8 Å²	26.8	31%	0.305	13%	0.129	S	C	.	.	H	α-helix	trans	-59.9	-40.4	174.6	-64.2	-27.3	0	0	0	111.6	N180 S351 R352 V358 N359	N180-D355 PolarHBondContact ND2-OD1 2.61Å; S351-D355 VanDerWaalsContact O-CG 3.31Å; S351-D355 PolarHBondContact O-N 3.07Å; R352-D355 PolarHBondContact O-N 2.99Å; D355-V358 PolarHBondContact O-N 2.95Å; D355-N359 WeakPolarHBondContact O-CB 3.45Å; D355-N359 VanDerWaalsContact O-CG 3.29Å; D355-N359 PolarHBondContact O-N 3.34Å; D355-N359 PolarHBondContact O-ND2 2.85Å; D355-N359 VanDerWaalsContact O-ND2 3.09Å
356	W	95.2	Very high	91	Very high	55 Å²	55	33.5 Å²	33.5	21%	0.208	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-44.8	176.2	-177.7	92	0	0	0	111.9	F256 E260 V264 R352 L353 F354 V358 N359 R360 L542 L546	F256-W356 HydrophobicContact CD1-CZ3 4.47Å; F256-W356 HydrophobicContact CE1-CH2 4.24Å; F256-W356 AromaticContact CE1-CZ3 3.84Å; F256-W356 HydrophobicContact CE1-CZ3 3.84Å; E260-W356 HydrophobicContact CB-CH2 4.47Å; V264-W356 HydrophobicContact CG2-CE3 4.24Å; V264-W356 HydrophobicContact CG2-CH2 4.47Å; V264-W356 HydrophobicContact CG2-CZ3 3.6Å; R352-W356 WeakPolarHBondContact O-CB 3.38Å; R352-W356 PolarHBondContact O-N 3.28Å; L353-W356 PolarHBondContact O-N 3.37Å; F354-W356 VanDerWaalsContact C-N 3.29Å; F354-W356 PolarHBondContact O-N 2.91Å; W356-V358 VanDerWaalsContact C-N 3.3Å; W356-V358 PolarHBondContact O-N 3.14Å; W356-N359 PolarHBondContact O-N 2.67Å; W356-R360 HydrophobicContact CE3-CB 4.39Å; W356-R360 HydrophobicContact CH2-CB 4.23Å; W356-R360 HydrophobicContact CH2-CG 3.97Å; W356-R360 HydrophobicContact CZ2-CB 4.34Å; W356-R360 HydrophobicContact CZ2-CG 4.26Å; W356-R360 HydrophobicContact CZ3-CB 4.27Å; W356-R360 HydrophobicContact CZ3-CG 4.34Å; W356-R360 WeakPolarHBondContact O-CB 3.41Å; W356-R360 PolarHBondContact O-N 3.29Å; W356-L542 HydrophobicContact CB-CD1 4.49Å; W356-L542 HydrophobicContact CD2-CD1 3.28Å; W356-L542 HydrophobicContact CE3-CD1 3.67Å; W356-L542 HydrophobicContact CE3-CD2 4.47Å; W356-L542 HydrophobicContact CG-CD1 3.64Å; W356-L542 HydrophobicContact CH2-CD1 4.17Å; W356-L542 HydrophobicContact CZ2-CD1 3.83Å; W356-L542 HydrophobicContact CZ3-CD1 4.08Å; W356-L542 HydrophobicContact CZ3-CD2 4.4Å; W356-L546 HydrophobicContact CB-CD2 3.64Å; W356-L546 HydrophobicContact CG-CD2 4.1Å
357	I	94.8	Very high	90.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-45.8	175.7	-70.2	166.3	0	0	0	110	V141 F145 F256 V264 L353 F354 N359 R360 I361	V141-I357 HydrophobicContact CG1-CG2 3.72Å; F145-I357 HydrophobicContact CD1-CD1 3.81Å; F145-I357 HydrophobicContact CD2-CD1 3.98Å; F145-I357 HydrophobicContact CE1-CD1 3.69Å; F145-I357 HydrophobicContact CE2-CD1 3.88Å; F145-I357 HydrophobicContact CG-CD1 3.96Å; F145-I357 HydrophobicContact CZ-CD1 3.73Å; F256-I357 HydrophobicContact CZ-CG2 4.3Å; V264-I357 HydrophobicContact CG1-CD1 3.97Å; V264-I357 HydrophobicContact CG2-CG1 4.42Å; L353-I357 HydrophobicContact CD1-CD1 4.37Å; L353-I357 HydrophobicContact CD1-CG1 4.49Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 VanDerWaalsContact O-CG1 3.3Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 3.49Å; F354-I357 PolarHBondContact O-N 3.31Å; I357-N359 PolarHBondContact O-N 2.7Å; I357-R360 PolarHBondContact O-N 3.49Å; I357-I361 HydrophobicContact CG2-CD1 3.88Å; I357-I361 HydrophobicContact CG2-CG1 4.48Å; I357-I361 VanDerWaalsContact O-CG1 3.23Å; I357-I361 WeakPolarHBondContact O-CG1 3.27Å; I357-I361 PolarHBondContact O-N 3.4Å
358	V	92.7	Very high	89.4	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-45.2	177.7	173.8	0	0	0	0	111.1	L142 I178 N180 F354 D355 W356 R360 I361 N362	L142-V358 HydrophobicContact CD2-CG2 3.68Å; I178-V358 HydrophobicContact CB-CG1 4.29Å; I178-V358 HydrophobicContact CG2-CG1 4.18Å; I178-V358 WeakPolarHBondContact O-CG1 3.46Å; N180-V358 HydrophobicContact CB-CG1 4.5Å; N180-V358 HydrophobicContact CB-CG2 4.01Å; F354-V358 HydrophobicContact CE1-CG2 4.47Å; F354-V358 HydrophobicContact CZ-CG2 4.41Å; F354-V358 WeakPolarHBondContact O-CG2 3.36Å; F354-V358 PolarHBondContact O-N 2.8Å; D355-V358 PolarHBondContact O-N 2.95Å; W356-V358 VanDerWaalsContact C-N 3.3Å; W356-V358 PolarHBondContact O-N 3.14Å; V358-R360 PolarHBondContact O-N 3.04Å; V358-I361 PolarHBondContact O-N 3.07Å; V358-N362 VanDerWaalsContact O-CG 3.24Å; V358-N362 PolarHBondContact O-N 3.44Å; V358-N362 PolarHBondContact O-ND2 2.87Å
359	N	92.4	Very high	88.2	Confident	91 Å²	91	43.3 Å²	43.3	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-39.8	177.1	-72.9	-35.7	0	0	0	112.5	D355 W356 I357 N362 E363	D355-N359 WeakPolarHBondContact O-CB 3.45Å; D355-N359 VanDerWaalsContact O-CG 3.29Å; D355-N359 PolarHBondContact O-N 3.34Å; D355-N359 PolarHBondContact O-ND2 2.85Å; D355-N359 VanDerWaalsContact O-ND2 3.09Å; W356-N359 PolarHBondContact O-N 2.67Å; I357-N359 PolarHBondContact O-N 2.7Å; N359-N362 WeakPolarHBondContact O-CA 3.47Å; N359-N362 WeakPolarHBondContact O-CB 3.42Å; N359-N362 PolarHBondContact O-N 3.41Å; N359-N362 VanDerWaalsContact O-N 3.14Å; N359-E363 WeakPolarHBondContact O-CG 3.47Å; N359-E363 PolarHBondContact O-N 2.77Å
360	R	92.6	Very high	86.6	Confident	38 Å²	38	47 Å²	47	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-68	-36.5	177.8	-177.1	58.7	-178.2	80.1	4.9	112.5	G255 F256 E260 W356 I357 V358 E363	G255-R360 PolarHBondContact O-NH2 3.32Å; F256-R360 HydrophobicContact CD1-CG 4.06Å; F256-R360 HydrophobicContact CE1-CB 4Å; F256-R360 HydrophobicContact CE1-CG 3.49Å; F256-R360 VanDerWaalsContact CE1-CG 3.49Å; F256-R360 HydrophobicContact CE2-CG 4.28Å; F256-R360 HydrophobicContact CZ-CB 3.9Å; F256-R360 HydrophobicContact CZ-CG 3.61Å; E260-R360 IonicContact OE1-CZ 3.67Å; E260-R360 IonicContact OE1-NE 3.26Å; E260-R360 PolarHBondContact OE1-NE 3.31Å; E260-R360 IonicContact OE1-NH2 3.38Å; E260-R360 PolarHBondContact OE1-NH2 3.13Å; E260-R360 IonicContact OE2-CZ 3.97Å; E260-R360 IonicContact OE2-NE 2.67Å; E260-R360 PolarHBondContact OE2-NE 3.08Å; E260-R360 IonicContact OE2-NH2 3.04Å; E260-R360 PolarHBondContact OE2-NH2 2.82Å; W356-R360 HydrophobicContact CE3-CB 4.39Å; W356-R360 HydrophobicContact CH2-CB 4.23Å; W356-R360 HydrophobicContact CH2-CG 3.97Å; W356-R360 HydrophobicContact CZ2-CB 4.34Å; W356-R360 HydrophobicContact CZ2-CG 4.26Å; W356-R360 HydrophobicContact CZ3-CB 4.27Å; W356-R360 HydrophobicContact CZ3-CG 4.34Å; W356-R360 WeakPolarHBondContact O-CB 3.41Å; W356-R360 PolarHBondContact O-N 3.29Å; I357-R360 PolarHBondContact O-N 3.49Å; V358-R360 PolarHBondContact O-N 3.04Å; R360-E363 WeakPolarHBondContact CD-OE2 3.35Å
361	I	91.3	Very high	85.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-47.8	168.5	-65.8	164	0	0	0	109	V141 L142 I178 I254 F256 I357 V358 E363 S364 I365	V141-I361 HydrophobicContact CG1-CD1 4.4Å; L142-I361 HydrophobicContact CD2-CD1 4.1Å; L142-I361 HydrophobicContact CG-CD1 4.38Å; I178-I361 HydrophobicContact CD1-CG2 3.84Å; I254-I361 HydrophobicContact CG2-CB 4.43Å; I254-I361 HydrophobicContact CG2-CG1 4.15Å; I254-I361 HydrophobicContact CG2-CG2 4.23Å; F256-I361 HydrophobicContact CE2-CG1 3.86Å; F256-I361 HydrophobicContact CZ-CG1 4.01Å; I357-I361 HydrophobicContact CG2-CD1 3.88Å; I357-I361 HydrophobicContact CG2-CG1 4.48Å; I357-I361 VanDerWaalsContact O-CG1 3.23Å; I357-I361 WeakPolarHBondContact O-CG1 3.27Å; I357-I361 PolarHBondContact O-N 3.4Å; V358-I361 PolarHBondContact O-N 3.07Å; I361-E363 VanDerWaalsContact C-N 3.29Å; I361-E363 PolarHBondContact O-N 3.37Å; I361-S364 WeakPolarHBondContact O-CB 3.49Å; I361-S364 PolarHBondContact O-N 3.46Å; I361-S364 PolarHBondContact O-OG 3.2Å; I361-I365 HydrophobicContact CG2-CD1 4.46Å; I361-I365 WeakPolarHBondContact O-CG1 3.2Å; I361-I365 PolarHBondContact O-N 2.94Å
362	N	90.6	Very high	84.4	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-39.6	179.4	-72.7	-28.6	0	0	0	113	I178 V358 N359 S364 I365 K366	I178-N362 PolarHBondContact N-OD1 2.96Å; I178-N362 PolarHBondContact O-ND2 3.19Å; I178-N362 PolarHBondContact O-OD1 3.31Å; V358-N362 VanDerWaalsContact O-CG 3.24Å; V358-N362 PolarHBondContact O-N 3.44Å; V358-N362 PolarHBondContact O-ND2 2.87Å; N359-N362 WeakPolarHBondContact O-CA 3.47Å; N359-N362 WeakPolarHBondContact O-CB 3.42Å; N359-N362 PolarHBondContact O-N 3.41Å; N359-N362 VanDerWaalsContact O-N 3.14Å; N362-S364 PolarHBondContact O-N 3.5Å; N362-I365 WeakPolarHBondContact O-CG1 3.43Å; N362-I365 PolarHBondContact O-N 3.29Å; N362-I365 VanDerWaalsContact O-N 3.13Å; N362-K366 WeakPolarHBondContact O-CB 3.21Å; N362-K366 PolarHBondContact O-N 3.39Å
363	E	88.9	Confident	84.1	Confident	138 Å²	138	63.9 Å²	63.9	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-57.9	-31.6	176.1	-73	171.3	179.1	0	0	113.1	N359 R360 I361	N359-E363 WeakPolarHBondContact O-CG 3.47Å; N359-E363 PolarHBondContact O-N 2.77Å; R360-E363 WeakPolarHBondContact CD-OE2 3.35Å; I361-E363 VanDerWaalsContact C-N 3.29Å; I361-E363 PolarHBondContact O-N 3.37Å
364	S	83.9	Confident	83.8	Confident	35 Å²	35	64.4 Å²	64.4	25%	0.245	34%	0.342	C	S	.	.	H	α-helix	trans	-77.7	-25.6	177.9	72.4	0	0	0	0	114.3	I254 I361 N362	I254-S364 WeakPolarHBondContact CG2-OG 3.34Å; I254-S364 VanDerWaalsContact O-CB 3.29Å; I254-S364 WeakPolarHBondContact O-CB 3.36Å; I361-S364 WeakPolarHBondContact O-CB 3.49Å; I361-S364 PolarHBondContact O-N 3.46Å; I361-S364 PolarHBondContact O-OG 3.2Å; N362-S364 PolarHBondContact O-N 3.5Å
365	I	82.9	Confident	83.5	Confident	5 Å²	5	65 Å²	65	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-110.8	-8.9	-173.7	58.1	168.9	0	0	0	113.9	Q134 L135 G175 G176 I178 I361 N362	Q134-I365 HydrophobicContact CB-CG2 3.83Å; L135-I365 HydrophobicContact CD2-CD1 3.72Å; G175-I365 CarbonylContact C-O 3.56Å; G175-I365 WeakPolarHBondContact CA-O 2.98Å; G176-I365 PolarHBondContact N-O 3.4Å; G176-I365 WeakPolarHBondContact O-CD1 3.39Å; G176-I365 VanDerWaalsContact O-CG1 3.29Å; G176-I365 WeakPolarHBondContact O-CG1 3.12Å; I178-I365 HydrophobicContact CD1-CD1 4.36Å; I178-I365 HydrophobicContact CG1-CD1 3.99Å; I361-I365 HydrophobicContact CG2-CD1 4.46Å; I361-I365 WeakPolarHBondContact O-CG1 3.2Å; I361-I365 PolarHBondContact O-N 2.94Å; N362-I365 WeakPolarHBondContact O-CG1 3.43Å; N362-I365 PolarHBondContact O-N 3.29Å; N362-I365 VanDerWaalsContact O-N 3.13Å
366	K	82	Confident	83.4	Confident	141 Å²	141	62.3 Å²	62.3	61%	0.613	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-74.7	133.9	-173.8	-175.5	175.6	-175.9	-179.2	0	111.5	N362	N362-K366 WeakPolarHBondContact O-CB 3.21Å; N362-K366 PolarHBondContact O-N 3.39Å
367	V	77.4	Confident	83.2	Confident	26 Å²	26	59.7 Å²	59.7	16%	0.158	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-78.4	144.5	177.8	-169.1	0	0	0	0	110.9	E166 L174	E166-V367 HydrophobicContact CB-CG2 4.24Å; E166-V367 VanDerWaalsContact OE2-CG2 3.29Å; E166-V367 WeakPolarHBondContact OE2-CG2 3.5Å; L174-V367 VanDerWaalsContact C-CG2 3.48Å; L174-V367 HydrophobicContact CB-CB 4.45Å; L174-V367 HydrophobicContact CB-CG1 4Å; L174-V367 HydrophobicContact CB-CG2 3.55Å; L174-V367 HydrophobicContact CD1-CG1 4.31Å
368	G	70.1	Confident	83	Confident	60 Å²	60	59.7 Å²	59.7	62%	0.619	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-59.6	152.4	176.3	0	0	0	0	0	114.1	G370	G368-G370 PolarHBondContact O-N 3.02Å
369	I	60.5	Low	82.8	Confident	180 Å²	180	59.8 Å²	59.8	92%	0.923	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	101	-174.4	-54.4	169.9	0	0	0	109.2
370	G	62	Low	82.5	Confident	79 Å²	79	55.7 Å²	55.7	81%	0.814	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	167.4	-20.1	174	0	0	0	0	0	116.9	G368	G368-G370 PolarHBondContact O-N 3.02Å
371	E	64.9	Low	81.9	Confident	123 Å²	123	54 Å²	54	58%	0.575	29%	0.294	S	S	*	.			trans	-95.7	139.5	-175.9	-63.1	-171.3	163	0	0	112.8	L174 K373	L174-E371 WeakPolarHBondContact CD1-OE2 3.43Å; E371-K373 PolarHBondContact O-N 3.09Å
372	K	74.6	Confident	81.1	Confident	194 Å²	194	54.8 Å²	54.8	84%	0.843	30%	0.297	S	S	*	.			trans	-67.6	120.7	167.7	-76.2	-171.1	178.8	-178.3	0	108.4
373	K	85.9	Confident	80.4	Confident	100 Å²	100	54.3 Å²	54.3	44%	0.435	30%	0.296	S	S	.	.			trans	-119.1	151.1	-176.6	57.5	-179.5	171.9	-178	0	112.2	E166 F167 E371	E166-K373 HydrophobicContact CB-CD 4.29Å; E166-K373 HydrophobicContact CG-CD 4.15Å; E166-K373 IonicContact OE1-NZ 3.36Å; E166-K373 PolarHBondContact OE1-NZ 2.85Å; E166-K373 VanDerWaalsContact OE2-CD 3.23Å; E166-K373 WeakPolarHBondContact OE2-CD 3.21Å; E166-K373 IonicContact OE2-NZ 2.73Å; E166-K373 PolarHBondContact OE2-NZ 3.5Å; F167-K373 CarbonylContact O-C 3.53Å; F167-K373 VanDerWaalsContact O-CA 3.26Å; F167-K373 WeakPolarHBondContact O-CA 3.44Å; E371-K373 PolarHBondContact O-N 3.09Å
374	K	88.9	Confident	80.1	Confident	11 Å²	11	48.1 Å²	48.1	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	150.4	168.6	-56.1	168.3	177.1	179.3	0	107.9	L88 R89 D92 D94 E166 F167 F169	L88-K374 HydrophobicContact CD1-CB 3.95Å; L88-K374 HydrophobicContact CD2-CB 4.5Å; L88-K374 HydrophobicContact CG-CB 4.08Å; L88-K374 HydrophobicContact CG-CD 4.43Å; L88-K374 WeakPolarHBondContact O-CD 3.36Å; L88-K374 PolarHBondContact O-NZ 3.4Å; R89-K374 PolarHBondContact O-NZ 3.27Å; D92-K374 WeakPolarHBondContact OD1-CE 3.34Å; D92-K374 IonicContact OD1-NZ 2.68Å; D92-K374 PolarHBondContact OD1-NZ 3.42Å; D94-K374 WeakPolarHBondContact OD1-CA 3.33Å; E166-K374 CarbonylContact C-O 3.52Å; F167-K374 HydrophobicContact CB-CB 4.39Å; F167-K374 PolarHBondContact N-O 3.48Å; F167-K374 PolarHBondContact O-N 2.82Å; F169-K374 PolarHBondContact O-NZ 2.96Å
375	V	90.1	Very high	79.9	Confident	13 Å²	13	47.9 Å²	47.9	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.9	-173	-175.3	0	0	0	0	111.6	L88 D94 Q95 D164 I165 E166 K581	L88-V375 VanDerWaalsContact CD1-C 3.49Å; L88-V375 VanDerWaalsContact CD1-O 3.24Å; L88-V375 WeakPolarHBondContact CD1-O 3.38Å; D94-V375 CarbonylContact C-O 3.58Å; D94-V375 VanDerWaalsContact CA-O 3.32Å; D94-V375 WeakPolarHBondContact CA-O 3.01Å; D94-V375 PolarHBondContact OD1-N 2.79Å; Q95-V375 PolarHBondContact N-O 3.15Å; D164-V375 HydrophobicContact CB-CG1 3.56Å; D164-V375 WeakPolarHBondContact OD1-CG1 3.47Å; I165-V375 WeakPolarHBondContact O-CA 3Å; E166-V375 HydrophobicContact CG-CG2 4.48Å; V375-K581 VanDerWaalsContact CG1-CE 3.45Å
376	M	90.2	Very high	79.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	100.8	166.1	-170	167	176.3	0	0	109.2	A84 L88 Q95 I97 V114 V118 I165 F167	A84-M376 HydrophobicContact CB-CE 3.66Å; L88-M376 HydrophobicContact CD1-CB 4.22Å; Q95-M376 HydrophobicContact CB-CG 4.17Å; Q95-M376 CarbonylContact O-C 3.56Å; Q95-M376 WeakPolarHBondContact O-CA 3.18Å; I97-M376 HydrophobicContact CD1-CE 3.29Å; I97-M376 HydrophobicContact CG1-CE 4.29Å; V114-M376 HydrophobicContact CG1-CE 4.23Å; V118-M376 HydrophobicContact CG1-SD 4.3Å; V118-M376 HydrophobicContact CG2-CE 3.56Å; V118-M376 HydrophobicContact CG2-SD 3.63Å; I165-M376 PolarHBondContact N-O 3.09Å; I165-M376 PolarHBondContact O-N 3.26Å; F167-M376 HydrophobicContact CD2-CB 4.39Å; F167-M376 HydrophobicContact CE2-CB 3.59Å; F167-M376 HydrophobicContact CZ-CB 4.38Å
377	G	89.8	Confident	79.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.6	176.6	0	0	0	0	0	112.2	Q95 C96 I97 M163 D164	Q95-G377 PolarHBondContact O-N 2.71Å; C96-G377 CarbonylContact C-O 3.53Å; C96-G377 WeakPolarHBondContact CA-O 3.33Å; I97-G377 PolarHBondContact N-O 2.99Å; M163-G377 CarbonylContact O-C 3.54Å; M163-G377 VanDerWaalsContact O-CA 3.28Å; M163-G377 WeakPolarHBondContact O-CA 3.47Å; D164-G377 VanDerWaalsContact OD1-CA 3.23Å; D164-G377 WeakPolarHBondContact OD1-CA 3.21Å
378	V	90.3	Very high	79.8	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116	167	-175.3	0	0	0	0	108.1	I97 I99 S111 V114 M163	I97-V378 WeakPolarHBondContact O-CA 3.45Å; I99-V378 HydrophobicContact CD1-CG1 3.78Å; I99-V378 HydrophobicContact CG1-CG1 4.39Å; S111-V378 WeakPolarHBondContact OG-CG1 3.28Å; V114-V378 HydrophobicContact CG1-CG2 4.11Å; M163-V378 PolarHBondContact N-O 2.83Å; M163-V378 PolarHBondContact O-N 3.33Å
379	L	89	Confident	80.3	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112	176.5	-173.9	64.5	0	0	0	110	I97 L98 I99 Y162 I381 L404 L574	I97-L379 PolarHBondContact O-N 2.89Å; L98-L379 HydrophobicContact CD1-CB 3.7Å; L98-L379 HydrophobicContact CD1-CD2 3.17Å; L98-L379 HydrophobicContact CD1-CG 3.7Å; I99-L379 PolarHBondContact N-O 2.89Å; Y162-L379 HydrophobicContact CD2-CB 3.65Å; Y162-L379 HydrophobicContact CD2-CD1 3.67Å; Y162-L379 HydrophobicContact CD2-CG 4.22Å; Y162-L379 HydrophobicContact CE2-CB 4.1Å; Y162-L379 HydrophobicContact CG-CD1 4.06Å; L379-I381 HydrophobicContact CD2-CB 4.48Å; L379-I381 HydrophobicContact CG-CB 4.3Å; L379-L404 HydrophobicContact CD2-CD2 4.37Å; L379-L574 HydrophobicContact CD1-CD1 3.97Å; L379-L574 HydrophobicContact CD2-CD1 3.81Å; L379-L574 HydrophobicContact CD2-CD2 4.08Å; L379-L574 HydrophobicContact CD2-CG 4.34Å
380	D	86.5	Confident	81.4	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.032	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.8	167	-172.2	-6.4	0	0	0	107.9	K107 G160 K161	K107-D380 WeakPolarHBondContact CB-OD1 3.24Å; K107-D380 WeakPolarHBondContact CD-OD1 3.42Å; K107-D380 VanDerWaalsContact CE-OD1 3.27Å; K107-D380 WeakPolarHBondContact CE-OD1 3.26Å; G160-D380 WeakPolarHBondContact CA-O 3.5Å; K161-D380 PolarHBondContact N-O 2.79Å; K161-D380 PolarHBondContact O-N 2.87Å
381	I	80.4	Confident	82.5	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.22	C	C	.	.			trans	-120.5	153.2	-179.8	-162.2	169.4	0	0	0	110.4	L98 I99 T100 K107 L379 C400 L404 L574	L98-I381 HydrophobicContact CD1-CG2 4.45Å; I99-I381 PolarHBondContact O-N 2.88Å; T100-I381 HydrophobicContact CG2-CG2 4.15Å; K107-I381 WeakPolarHBondContact CD-O 3.48Å; K107-I381 WeakPolarHBondContact CE-O 3.43Å; L379-I381 HydrophobicContact CD2-CB 4.48Å; L379-I381 HydrophobicContact CG-CB 4.3Å; I381-C400 WeakPolarHBondContact CD1-SG 3.45Å; I381-L404 HydrophobicContact CD1-CD1 3.67Å; I381-L404 HydrophobicContact CG2-CD1 3.63Å; I381-L574 HydrophobicContact CD1-CD2 4.17Å
382	Y	73.9	Confident	83.4	Confident	18 Å²	18	40.4 Å²	40.4	7%	0.071	20%	0.195	C	C	.	.			trans	-58.5	143.4	172.1	43.8	-110.3	0	0	0	111.2	L182 I397 C400 N401 F567	L182-Y382 HydrophobicContact CB-CE1 3.64Å; L182-Y382 WeakPolarHBondContact CB-OH 3.27Å; L182-Y382 HydrophobicContact CD1-CE1 4.01Å; L182-Y382 WeakPolarHBondContact CD1-OH 3.47Å; L182-Y382 HydrophobicContact CG-CE1 4.41Å; Y382-I397 HydrophobicContact CD2-CB 4.09Å; Y382-I397 HydrophobicContact CD2-CG1 3.92Å; Y382-I397 HydrophobicContact CD2-CG2 3.56Å; Y382-I397 HydrophobicContact CE1-CG1 4.21Å; Y382-I397 HydrophobicContact CE2-CB 3.81Å; Y382-I397 HydrophobicContact CE2-CG1 3.65Å; Y382-I397 HydrophobicContact CE2-CG2 3.77Å; Y382-I397 HydrophobicContact CG-CG1 4.32Å; Y382-I397 HydrophobicContact CG-CG2 4.39Å; Y382-C400 HydrophobicContact CE2-CB 4.17Å; Y382-N401 PolarHBondContact O-ND2 2.83Å; Y382-N401 PolarHBondContact O-OD1 2.92Å; Y382-F567 WeakPolarHBondContact OH-CE2 3.5Å; Y382-F567 WeakPolarHBondContact OH-CZ 3.3Å
383	G	76.1	Confident	83.6	Confident	7 Å²	7	32.7 Å²	32.7	7%	0.072	16%	0.162	C	C	.	.			trans	-77.1	176.8	173.1	0	0	0	0	0	112	G101 N401	G101-G383 WeakPolarHBondContact O-CA 3.28Å; G101-G383 PolarHBondContact O-N 2.78Å; G383-N401 PolarHBondContact O-ND2 3.38Å
384	F	82.8	Confident	83.5	Confident	7 Å²	7	28.6 Å²	28.6	3%	0.031	14%	0.144	C	C	.	.			trans	-59.8	134	170.9	-158.9	-85.8	0	0	0	110.6	I386 N398 N401 H507 Y508 A509 V512 Y611	F384-I386 HydrophobicContact CD1-CD1 4.21Å; F384-I386 HydrophobicContact CD1-CG1 3.8Å; F384-I386 HydrophobicContact CE1-CD1 3.79Å; F384-I386 HydrophobicContact CE1-CG1 3.57Å; F384-N398 HydrophobicContact CD2-CB 4.25Å; F384-N398 HydrophobicContact CE2-CB 3.73Å; F384-N398 HydrophobicContact CZ-CB 3.93Å; F384-N401 HydrophobicContact CD2-CB 3.99Å; F384-N401 PolarHBondContact N-OD1 3.38Å; F384-H507 HydrophobicContact CE2-CB 3.84Å; F384-H507 AromaticContact CE2-CG 3.94Å; F384-H507 HydrophobicContact CZ-CB 3.49Å; F384-H507 VanDerWaalsContact CZ-CB 3.49Å; F384-H507 AromaticContact CZ-CD2 3.92Å; F384-H507 AromaticContact CZ-CG 3.59Å; F384-Y508 AromaticContact CD2-CE1 3.67Å; F384-Y508 HydrophobicContact CD2-CE1 3.67Å; F384-Y508 HydrophobicContact CE2-CD1 4.35Å; F384-Y508 AromaticContact CE2-CE1 3.92Å; F384-Y508 HydrophobicContact CE2-CE1 3.92Å; F384-A509 HydrophobicContact CD1-CB 3.72Å; F384-A509 HydrophobicContact CD2-CB 4.03Å; F384-A509 HydrophobicContact CE1-CB 3.7Å; F384-A509 HydrophobicContact CE2-CB 4.02Å; F384-A509 HydrophobicContact CG-CB 3.9Å; F384-A509 HydrophobicContact CZ-CB 3.87Å; F384-V512 HydrophobicContact CE1-CG2 3.65Å; F384-V512 HydrophobicContact CZ-CG2 3.8Å; F384-Y611 HydrophobicContact CB-CG 4.46Å; F384-Y611 HydrophobicContact CD1-CD1 4.37Å
385	E	80.1	Confident	83.6	Confident	31 Å²	31	28 Å²	28	15%	0.145	14%	0.142	C	C	.	.			trans	-116.3	126.3	-178.6	-73.1	-169.5	173.7	0	0	110.9	R158 Q394 I397 N398	R158-E385 IonicContact CZ-OE1 3.94Å; R158-E385 IonicContact NH1-OE1 3.46Å; R158-E385 PolarHBondContact NH1-OE1 3.25Å; R158-E385 IonicContact NH2-OE1 3.05Å; R158-E385 IonicContact NH2-OE2 3.52Å; E385-Q394 HydrophobicContact CB-CG 4.04Å; E385-Q394 PolarHBondContact OE2-NE2 3.42Å; E385-I397 HydrophobicContact CB-CG2 4.3Å; E385-I397 HydrophobicContact CG-CG2 4.17Å; E385-N398 PolarHBondContact N-OD1 3.24Å; E385-N398 PolarHBondContact O-ND2 2.92Å; E385-N398 PolarHBondContact O-OD1 3.43Å
386	I	82.1	Confident	83.4	Confident	38 Å²	38	28 Å²	28	20%	0.195	14%	0.142	C	C	.	.			trans	-128.4	110.6	166.7	-47.5	-176	0	0	0	107.9	F384 V512 Y611	F384-I386 HydrophobicContact CD1-CD1 4.21Å; F384-I386 HydrophobicContact CD1-CG1 3.8Å; F384-I386 HydrophobicContact CE1-CD1 3.79Å; F384-I386 HydrophobicContact CE1-CG1 3.57Å; I386-V512 HydrophobicContact CD1-CG2 3.83Å; I386-V512 HydrophobicContact CG1-CG2 3.89Å; I386-Y611 WeakPolarHBondContact CB-OH 3.46Å; I386-Y611 HydrophobicContact CD1-CD1 4.3Å; I386-Y611 HydrophobicContact CD1-CE1 3.41Å; I386-Y611 VanDerWaalsContact CD1-CE1 3.41Å; I386-Y611 HydrophobicContact CG1-CE1 3.93Å
387	L	79.8	Confident	83.1	Confident	60 Å²	60	28.5 Å²	28.5	31%	0.314	14%	0.144	S	C	.	.			trans	-107	171.4	175.9	-54.4	-179.3	0	0	0	110	D389 N390 Q394	L387-D389 VanDerWaalsContact C-N 3.34Å; L387-N390 PolarHBondContact N-OD1 3.19Å; L387-N390 PolarHBondContact O-ND2 2.9Å; L387-Q394 HydrophobicContact CD1-CG 4.16Å; L387-Q394 HydrophobicContact CG-CG 4.4Å
388	E	78.6	Confident	83	Confident	195 Å²	195	28.5 Å²	28.5	91%	0.911	14%	0.144	S	C	*	.	S	Bend	trans	-60.5	-46.2	171.5	-67.7	-179.1	175	0	0	110.7
389	D	79.2	Confident	83	Confident	126 Å²	126	28.6 Å²	28.6	67%	0.674	15%	0.145	S	C	*	.	S	Bend	trans	-115.6	99.5	174.5	-76.4	-44	0	0	0	110.8	L387	L387-D389 VanDerWaalsContact C-N 3.34Å
390	N	84.4	Confident	82.9	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.027	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-88.8	131.6	175.5	-53.4	-78.9	0	0	0	110.4	L387 Q394 V512 T513 Y514 N515	L387-N390 PolarHBondContact N-OD1 3.19Å; L387-N390 PolarHBondContact O-ND2 2.9Å; N390-Q394 HydrophobicContact CB-CB 3.97Å; N390-Q394 HydrophobicContact CB-CG 4.28Å; N390-V512 HydrophobicContact CB-CG1 4.29Å; N390-T513 WeakPolarHBondContact CB-O 3.48Å; N390-T513 PolarHBondContact ND2-O 3.5Å; N390-Y514 HydrophobicContact CB-CD1 3.6Å; N390-Y514 HydrophobicContact CB-CE1 3.98Å; N390-Y514 HydrophobicContact CB-CG 4.45Å; N390-Y514 WeakPolarHBondContact O-CA 3.1Å; N390-N515 PolarHBondContact O-N 2.85Å
391	S	85.8	Confident	83	Confident	20 Å²	20	28.5 Å²	28.5	14%	0.14	14%	0.144	C	C	.	.			trans	-118.3	-164.2	178.3	-160.8	0	0	0	0	111.8	E393 Q394 F395 K522	S391-E393 PolarHBondContact O-N 3Å; S391-Q394 VanDerWaalsContact N-OE1 3.11Å; S391-Q394 PolarHBondContact O-N 2.87Å; S391-F395 PolarHBondContact O-N 2.7Å; S391-K522 PolarHBondContact OG-NZ 2.75Å
392	F	83.5	Confident	83.4	Confident	13 Å²	13	28.4 Å²	28.4	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-57.1	-36.1	-178.3	177.9	-105.5	0	0	0	112.4	F395 V396 L450 L453 F519 K522 N523 A563	F392-F395 HydrophobicContact CD2-CD1 4.44Å; F392-F395 WeakPolarHBondContact O-CB 3.36Å; F392-F395 PolarHBondContact O-N 3.32Å; F392-V396 HydrophobicContact CD2-CG1 4.39Å; F392-V396 HydrophobicContact CE1-CG1 4.03Å; F392-V396 HydrophobicContact CE2-CG1 3.88Å; F392-V396 HydrophobicContact CZ-CG1 3.68Å; F392-V396 PolarHBondContact O-N 2.99Å; F392-L450 HydrophobicContact CE2-CD2 4.39Å; F392-L453 HydrophobicContact CD2-CD2 3.95Å; F392-L453 HydrophobicContact CE2-CD2 3.56Å; F392-F519 HydrophobicContact CB-CD1 4.39Å; F392-F519 HydrophobicContact CB-CD2 4.09Å; F392-F519 HydrophobicContact CB-CE1 4.32Å; F392-F519 HydrophobicContact CB-CE2 4.01Å; F392-F519 HydrophobicContact CB-CG 4.29Å; F392-F519 HydrophobicContact CB-CZ 4.14Å; F392-F519 HydrophobicContact CD2-CD1 4.04Å; F392-F519 HydrophobicContact CD2-CE1 4.14Å; F392-K522 HydrophobicContact CB-CB 4.17Å; F392-K522 HydrophobicContact CB-CD 3.82Å; F392-K522 HydrophobicContact CD1-CB 3.94Å; F392-K522 HydrophobicContact CG-CB 4.21Å; F392-N523 HydrophobicContact CZ-CB 4.49Å; F392-A563 HydrophobicContact CE1-CB 4.17Å; F392-A563 HydrophobicContact CZ-CB 4.42Å
393	E	78.8	Confident	84.1	Confident	32 Å²	32	28.8 Å²	28.8	15%	0.15	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-49.8	178.1	-63.7	86.3	165.3	0	0	111.8	S186 S391 F395 V396 I397 K522	S186-E393 PolarHBondContact OG-OE1 2.61Å; S186-E393 VanDerWaalsContact OG-OE1 3.07Å; S391-E393 PolarHBondContact O-N 3Å; E393-F395 VanDerWaalsContact C-N 3.28Å; E393-F395 PolarHBondContact O-N 3.03Å; E393-V396 WeakPolarHBondContact O-CG2 3.47Å; E393-V396 PolarHBondContact O-N 2.83Å; E393-I397 WeakPolarHBondContact O-CB 3.42Å; E393-I397 WeakPolarHBondContact O-CD1 3.36Å; E393-I397 VanDerWaalsContact O-CG1 3.25Å; E393-I397 WeakPolarHBondContact O-CG1 3.38Å; E393-I397 PolarHBondContact O-N 3.37Å; E393-K522 VanDerWaalsContact CD-NZ 3.32Å; E393-K522 WeakPolarHBondContact OE1-CE 3.47Å; E393-K522 IonicContact OE1-NZ 2.66Å; E393-K522 PolarHBondContact OE1-NZ 3.19Å; E393-K522 VanDerWaalsContact OE1-NZ 3.13Å; E393-K522 IonicContact OE2-NZ 3.31Å; E393-K522 PolarHBondContact OE2-NZ 3.45Å
394	Q	84.4	Confident	84.7	Confident	13 Å²	13	28.8 Å²	28.8	6%	0.061	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-37.4	175.3	-76.2	66.7	46.6	0	0	111.2	E385 L387 N390 S391 V396 I397 N398 Y514	E385-Q394 HydrophobicContact CB-CG 4.04Å; E385-Q394 PolarHBondContact OE2-NE2 3.42Å; L387-Q394 HydrophobicContact CD1-CG 4.16Å; L387-Q394 HydrophobicContact CG-CG 4.4Å; N390-Q394 HydrophobicContact CB-CB 3.97Å; N390-Q394 HydrophobicContact CB-CG 4.28Å; S391-Q394 VanDerWaalsContact N-OE1 3.11Å; S391-Q394 PolarHBondContact O-N 2.87Å; Q394-V396 PolarHBondContact O-N 2.8Å; Q394-I397 PolarHBondContact O-N 3.43Å; Q394-N398 VanDerWaalsContact O-CB 3.29Å; Q394-N398 WeakPolarHBondContact O-CB 3.47Å; Q394-N398 PolarHBondContact O-N 3.48Å; Q394-N398 PolarHBondContact O-ND2 3.46Å; Q394-Y514 HydrophobicContact CB-CE1 4.16Å
395	F	89.2	Confident	84.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-47.7	178.2	174.2	-102.9	0	0	0	111.9	S391 F392 E393 Y399 I442 I449 L450 F503 I505 Y514 F519	S391-F395 PolarHBondContact O-N 2.7Å; F392-F395 HydrophobicContact CD2-CD1 4.44Å; F392-F395 WeakPolarHBondContact O-CB 3.36Å; F392-F395 PolarHBondContact O-N 3.32Å; E393-F395 VanDerWaalsContact C-N 3.28Å; E393-F395 PolarHBondContact O-N 3.03Å; F395-Y399 WeakPolarHBondContact O-CB 3.32Å; F395-Y399 PolarHBondContact O-N 2.69Å; F395-I442 HydrophobicContact CE1-CG2 4.12Å; F395-I442 HydrophobicContact CE2-CD1 4.36Å; F395-I442 HydrophobicContact CE2-CG1 4.16Å; F395-I442 HydrophobicContact CE2-CG2 4.4Å; F395-I442 HydrophobicContact CZ-CB 4.41Å; F395-I442 HydrophobicContact CZ-CG1 4.13Å; F395-I442 HydrophobicContact CZ-CG2 3.63Å; F395-I449 HydrophobicContact CE1-CG2 4.16Å; F395-I449 HydrophobicContact CE2-CD1 4.16Å; F395-I449 HydrophobicContact CE2-CG2 4.18Å; F395-I449 HydrophobicContact CZ-CB 3.9Å; F395-I449 HydrophobicContact CZ-CD1 4.25Å; F395-I449 HydrophobicContact CZ-CG2 3.54Å; F395-L450 HydrophobicContact CE1-CD2 3.78Å; F395-L450 HydrophobicContact CE1-CG 4.15Å; F395-F503 HydrophobicContact CD2-CE2 4.3Å; F395-F503 HydrophobicContact CD2-CZ 4.14Å; F395-F503 HydrophobicContact CE2-CE2 4.25Å; F395-F503 HydrophobicContact CE2-CZ 4.29Å; F395-I505 HydrophobicContact CD2-CD1 4.21Å; F395-I505 HydrophobicContact CE2-CD1 3.63Å; F395-Y514 VanDerWaalsContact CA-CE1 3.46Å; F395-Y514 HydrophobicContact CB-CD1 3.88Å; F395-Y514 HydrophobicContact CB-CE1 3.79Å; F395-Y514 HydrophobicContact CD2-CD2 4.31Å; F395-Y514 HydrophobicContact CD2-CE1 4.39Å; F395-Y514 HydrophobicContact CD2-CE2 4.11Å; F395-F519 HydrophobicContact CB-CE1 4.42Å; F395-F519 HydrophobicContact CB-CZ 4.28Å; F395-F519 HydrophobicContact CG-CE1 4.4Å
396	V	86.2	Confident	85.1	Confident	12 Å²	12	28.4 Å²	28.4	7%	0.073	14%	0.142	C	C	.	.	H	α-helix	trans	-70.1	-38	177.9	-61.2	0	0	0	0	112	F392 E393 Q394 N398 Y399 C400 F567	F392-V396 HydrophobicContact CD2-CG1 4.39Å; F392-V396 HydrophobicContact CE1-CG1 4.03Å; F392-V396 HydrophobicContact CE2-CG1 3.88Å; F392-V396 HydrophobicContact CZ-CG1 3.68Å; F392-V396 PolarHBondContact O-N 2.99Å; E393-V396 WeakPolarHBondContact O-CG2 3.47Å; E393-V396 PolarHBondContact O-N 2.83Å; Q394-V396 PolarHBondContact O-N 2.8Å; V396-N398 PolarHBondContact O-N 3.02Å; V396-Y399 PolarHBondContact O-N 3.07Å; V396-C400 PolarHBondContact O-N 3.13Å; V396-F567 HydrophobicContact CB-CD1 3.88Å; V396-F567 HydrophobicContact CB-CD2 3.65Å; V396-F567 HydrophobicContact CB-CE1 3.73Å; V396-F567 HydrophobicContact CB-CE2 3.47Å; V396-F567 VanDerWaalsContact CB-CE2 3.47Å; V396-F567 HydrophobicContact CB-CG 3.87Å; V396-F567 HydrophobicContact CB-CZ 3.55Å; V396-F567 HydrophobicContact CG1-CD1 4.27Å; V396-F567 HydrophobicContact CG1-CD2 4.25Å; V396-F567 HydrophobicContact CG1-CG 4.14Å; V396-F567 HydrophobicContact CG2-CD2 3.76Å; V396-F567 HydrophobicContact CG2-CE2 3.49Å; V396-F567 VanDerWaalsContact CG2-CE2 3.49Å; V396-F567 HydrophobicContact CG2-CG 4.45Å; V396-F567 HydrophobicContact CG2-CZ 4Å; V396-F567 WeakPolarHBondContact O-CE1 3.48Å; V396-F567 WeakPolarHBondContact O-CZ 3.24Å
397	I	83.5	Confident	85.2	Confident	12 Å²	12	26.6 Å²	26.6	6%	0.062	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-48.3	174.4	-77.2	168.2	0	0	0	111.4	Y382 E385 E393 Q394 C400 N401	Y382-I397 HydrophobicContact CD2-CB 4.09Å; Y382-I397 HydrophobicContact CD2-CG1 3.92Å; Y382-I397 HydrophobicContact CD2-CG2 3.56Å; Y382-I397 HydrophobicContact CE1-CG1 4.21Å; Y382-I397 HydrophobicContact CE2-CB 3.81Å; Y382-I397 HydrophobicContact CE2-CG1 3.65Å; Y382-I397 HydrophobicContact CE2-CG2 3.77Å; Y382-I397 HydrophobicContact CG-CG1 4.32Å; Y382-I397 HydrophobicContact CG-CG2 4.39Å; E385-I397 HydrophobicContact CB-CG2 4.3Å; E385-I397 HydrophobicContact CG-CG2 4.17Å; E393-I397 WeakPolarHBondContact O-CB 3.42Å; E393-I397 WeakPolarHBondContact O-CD1 3.36Å; E393-I397 VanDerWaalsContact O-CG1 3.25Å; E393-I397 WeakPolarHBondContact O-CG1 3.38Å; E393-I397 PolarHBondContact O-N 3.37Å; Q394-I397 PolarHBondContact O-N 3.43Å; I397-C400 PolarHBondContact O-N 2.97Å; I397-N401 PolarHBondContact O-N 2.96Å; I397-N401 PolarHBondContact O-ND2 3.26Å
398	N	88.9	Confident	85.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.7	-34	-178.4	-69.8	-19.1	0	0	0	111.7	F384 E385 Q394 V396 N401 E402 Y514	F384-N398 HydrophobicContact CD2-CB 4.25Å; F384-N398 HydrophobicContact CE2-CB 3.73Å; F384-N398 HydrophobicContact CZ-CB 3.93Å; E385-N398 PolarHBondContact N-OD1 3.24Å; E385-N398 PolarHBondContact O-ND2 2.92Å; E385-N398 PolarHBondContact O-OD1 3.43Å; Q394-N398 VanDerWaalsContact O-CB 3.29Å; Q394-N398 WeakPolarHBondContact O-CB 3.47Å; Q394-N398 PolarHBondContact O-N 3.48Å; Q394-N398 PolarHBondContact O-ND2 3.46Å; V396-N398 PolarHBondContact O-N 3.02Å; N398-N401 PolarHBondContact O-N 2.92Å; N398-E402 PolarHBondContact O-N 3.15Å; N398-Y514 WeakPolarHBondContact CB-OH 3.42Å; N398-Y514 PolarHBondContact ND2-OH 3.3Å
399	Y	90.5	Very high	85.4	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-44.3	169.4	163.4	-122	0	0	0	112.2	F395 V396 E402 K403 I442 E443 L450 F567 V571	F395-Y399 WeakPolarHBondContact O-CB 3.32Å; F395-Y399 PolarHBondContact O-N 2.69Å; V396-Y399 PolarHBondContact O-N 3.07Å; Y399-E402 PolarHBondContact O-N 2.85Å; Y399-K403 HydrophobicContact CD2-CG 4.08Å; Y399-K403 HydrophobicContact CE2-CD 3.84Å; Y399-K403 HydrophobicContact CE2-CG 3.52Å; Y399-K403 PolarHBondContact O-N 2.8Å; Y399-I442 HydrophobicContact CD1-CG2 4.32Å; Y399-I442 HydrophobicContact CD2-CB 3.96Å; Y399-I442 HydrophobicContact CD2-CD1 4.19Å; Y399-I442 HydrophobicContact CD2-CG2 3.57Å; Y399-I442 HydrophobicContact CE2-CB 4.5Å; Y399-I442 HydrophobicContact CE2-CG2 4.17Å; Y399-I442 HydrophobicContact CG-CG2 3.68Å; Y399-E443 HydrophobicContact CE2-CB 3.73Å; Y399-E443 HydrophobicContact CE2-CG 4.45Å; Y399-E443 WeakPolarHBondContact CE2-OE2 3.29Å; Y399-E443 WeakPolarHBondContact OH-CB 3.49Å; Y399-E443 PolarHBondContact OH-OE2 3.26Å; Y399-L450 HydrophobicContact CD1-CD1 4.3Å; Y399-L450 HydrophobicContact CE1-CD1 4.18Å; Y399-F567 AromaticContact CD1-CD1 3.8Å; Y399-F567 HydrophobicContact CD1-CD1 3.8Å; Y399-F567 AromaticContact CD1-CE1 3.52Å; Y399-F567 HydrophobicContact CD1-CE1 3.52Å; Y399-F567 AromaticContact CE1-CD1 3.95Å; Y399-F567 HydrophobicContact CE1-CD1 3.95Å; Y399-F567 AromaticContact CE1-CE1 3.95Å; Y399-F567 HydrophobicContact CE1-CE1 3.95Å; Y399-V571 HydrophobicContact CE1-CB 4.45Å; Y399-V571 HydrophobicContact CE1-CG1 4.46Å; Y399-V571 HydrophobicContact CE1-CG2 4.36Å
400	C	87.3	Confident	85.5	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-42.5	176.5	-176	0	0	0	0	112.1	I381 Y382 V396 I397 E402 K403 L404 F567 V571	I381-C400 WeakPolarHBondContact CD1-SG 3.45Å; Y382-C400 HydrophobicContact CE2-CB 4.17Å; V396-C400 PolarHBondContact O-N 3.13Å; I397-C400 PolarHBondContact O-N 2.97Å; C400-E402 VanDerWaalsContact C-N 3.31Å; C400-E402 PolarHBondContact O-N 2.87Å; C400-K403 PolarHBondContact O-N 2.94Å; C400-L404 WeakPolarHBondContact O-CG 3.47Å; C400-L404 PolarHBondContact O-N 3.38Å; C400-F567 HydrophobicContact CB-CE1 4.09Å; C400-F567 HydrophobicContact CB-CZ 3.83Å; C400-V571 HydrophobicContact CB-CG2 4.03Å
401	N	87	Confident	85.3	Confident	6 Å²	6	13.5 Å²	13.5	3%	0.032	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-37.4	174.6	-82.3	-85.8	0	0	0	112.1	Y382 G383 F384 I397 N398 L404 Q405	Y382-N401 PolarHBondContact O-ND2 2.83Å; Y382-N401 PolarHBondContact O-OD1 2.92Å; G383-N401 PolarHBondContact O-ND2 3.38Å; F384-N401 HydrophobicContact CD2-CB 3.99Å; F384-N401 PolarHBondContact N-OD1 3.38Å; I397-N401 PolarHBondContact O-N 2.96Å; I397-N401 PolarHBondContact O-ND2 3.26Å; N398-N401 PolarHBondContact O-N 2.92Å; N401-L404 PolarHBondContact O-N 3.14Å; N401-Q405 WeakPolarHBondContact O-CB 3.49Å; N401-Q405 PolarHBondContact O-N 3.4Å
402	E	89.9	Confident	84.9	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-44.1	173.4	-81.3	-64.8	-166.1	0	0	112.7	N398 Y399 C400 Q405 Q406 N435 I438 H507 Y508	N398-E402 PolarHBondContact O-N 3.15Å; Y399-E402 PolarHBondContact O-N 2.85Å; C400-E402 VanDerWaalsContact C-N 3.31Å; C400-E402 PolarHBondContact O-N 2.87Å; E402-Q405 PolarHBondContact O-N 3.23Å; E402-Q406 WeakPolarHBondContact O-CB 3.47Å; E402-Q406 PolarHBondContact O-N 3.47Å; E402-N435 PolarHBondContact OE2-ND2 2.69Å; E402-I438 HydrophobicContact CG-CG2 4.1Å; E402-I438 WeakPolarHBondContact OE1-CD1 3.48Å; E402-H507 WeakPolarHBondContact CG-ND1 3.34Å; E402-H507 WeakPolarHBondContact OE1-CA 3.49Å; E402-H507 WeakPolarHBondContact OE1-CB 3.28Å; E402-H507 IonicContact OE1-CG 3.93Å; E402-H507 IonicContact OE1-ND1 2.82Å; E402-H507 PolarHBondContact OE1-ND1 3.2Å; E402-Y508 HydrophobicContact CG-CD1 4.32Å; E402-Y508 WeakPolarHBondContact OE1-CD1 3.47Å; E402-Y508 PolarHBondContact OE1-N 3.43Å; E402-Y508 WeakPolarHBondContact OE2-CD1 3.32Å
403	K	89.1	Confident	84.7	Confident	26 Å²	26	12.6 Å²	12.6	11%	0.113	6%	0.061	C	C	.	.	H	α-helix	trans	-61.8	-44.8	174.8	-68	-61.9	-66.4	176.9	0	111.5	Y399 C400 Q405 Q406 V407 C439 E443 V571 M575	Y399-K403 HydrophobicContact CD2-CG 4.08Å; Y399-K403 HydrophobicContact CE2-CD 3.84Å; Y399-K403 HydrophobicContact CE2-CG 3.52Å; Y399-K403 PolarHBondContact O-N 2.8Å; C400-K403 PolarHBondContact O-N 2.94Å; K403-Q405 VanDerWaalsContact C-N 3.31Å; K403-Q405 PolarHBondContact O-N 2.74Å; K403-Q406 WeakPolarHBondContact O-CB 3.47Å; K403-Q406 PolarHBondContact O-N 3.49Å; K403-V407 VanDerWaalsContact O-CG2 3.22Å; K403-V407 WeakPolarHBondContact O-CG2 3.47Å; K403-V407 PolarHBondContact O-N 3.14Å; K403-C439 HydrophobicContact CD-CB 3.73Å; K403-C439 VanDerWaalsContact CD-SG 3.56Å; K403-E443 WeakPolarHBondContact CE-OE1 3.33Å; K403-E443 WeakPolarHBondContact CE-OE2 3.49Å; K403-E443 IonicContact NZ-OE1 2.69Å; K403-E443 PolarHBondContact NZ-OE1 3.32Å; K403-E443 IonicContact NZ-OE2 3.06Å; K403-V571 HydrophobicContact CB-CG1 4.06Å; K403-V571 HydrophobicContact CG-CG1 3.98Å; K403-M575 HydrophobicContact CB-CE 3.69Å; K403-M575 HydrophobicContact CB-CG 4.45Å; K403-M575 HydrophobicContact CB-SD 4.22Å
404	L	87	Confident	84.8	Confident	6 Å²	6	17 Å²	17	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-40.2	176.6	-74.3	176.2	0	0	0	112.2	L98 L379 I381 C400 N401 F408 M575 L578	L98-L404 HydrophobicContact CD1-CD1 4.46Å; L98-L404 HydrophobicContact CD1-CD2 4.25Å; L98-L404 HydrophobicContact CD2-CD2 4.17Å; L379-L404 HydrophobicContact CD2-CD2 4.37Å; I381-L404 HydrophobicContact CD1-CD1 3.67Å; I381-L404 HydrophobicContact CG2-CD1 3.63Å; C400-L404 WeakPolarHBondContact O-CG 3.47Å; C400-L404 PolarHBondContact O-N 3.38Å; N401-L404 PolarHBondContact O-N 3.14Å; L404-F408 VanDerWaalsContact O-CB 3.32Å; L404-F408 WeakPolarHBondContact O-CB 3.47Å; L404-F408 PolarHBondContact O-N 2.99Å; L404-M575 HydrophobicContact CD2-CE 3.5Å; L404-M575 VanDerWaalsContact CD2-CE 3.5Å; L404-M575 HydrophobicContact CD2-SD 4.13Å; L404-M575 HydrophobicContact CG-CE 3.73Å; L404-L578 HydrophobicContact CD2-CD2 3.96Å
405	Q	84.7	Confident	84.5	Confident	7 Å²	7	19.2 Å²	19.2	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-70.4	-39.9	178.6	-171.4	65.4	8.1	0	0	111.8	N401 E402 K403 F408 I409 Y508	N401-Q405 WeakPolarHBondContact O-CB 3.49Å; N401-Q405 PolarHBondContact O-N 3.4Å; E402-Q405 PolarHBondContact O-N 3.23Å; K403-Q405 VanDerWaalsContact C-N 3.31Å; K403-Q405 PolarHBondContact O-N 2.74Å; Q405-F408 WeakPolarHBondContact O-CB 3.45Å; Q405-F408 PolarHBondContact O-N 3.37Å; Q405-I409 HydrophobicContact CG-CD1 4.21Å; Q405-I409 WeakPolarHBondContact O-CG1 3.21Å; Q405-I409 PolarHBondContact O-N 3.01Å; Q405-Y508 HydrophobicContact CB-CD1 4.5Å; Q405-Y508 HydrophobicContact CB-CE1 4.27Å; Q405-Y508 HydrophobicContact CG-CD1 4.44Å; Q405-Y508 HydrophobicContact CG-CD2 4.16Å; Q405-Y508 HydrophobicContact CG-CE1 4.47Å; Q405-Y508 HydrophobicContact CG-CE2 4.25Å; Q405-Y508 HydrophobicContact CG-CG 4.25Å
406	Q	87.1	Confident	83.9	Confident	23 Å²	23	19.9 Å²	19.9	11%	0.107	9%	0.093	C	C	.	.	H	α-helix	trans	-55.7	-54.4	171.4	-176.5	-171.1	7.8	0	0	110.4	E402 K403 F408 I409 E410 N435 C439	E402-Q406 WeakPolarHBondContact O-CB 3.47Å; E402-Q406 PolarHBondContact O-N 3.47Å; K403-Q406 WeakPolarHBondContact O-CB 3.47Å; K403-Q406 PolarHBondContact O-N 3.49Å; Q406-F408 VanDerWaalsContact C-N 3.29Å; Q406-F408 PolarHBondContact O-N 2.94Å; Q406-I409 PolarHBondContact O-N 2.76Å; Q406-E410 HydrophobicContact CG-CG 4.37Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.3Å; Q406-E410 PolarHBondContact NE2-OE1 3.03Å; Q406-E410 WeakPolarHBondContact O-CB 3.38Å; Q406-E410 WeakPolarHBondContact O-CG 3.35Å; Q406-E410 PolarHBondContact O-N 3.33Å; Q406-N435 HydrophobicContact CB-CB 3.85Å; Q406-N435 HydrophobicContact CG-CB 4.36Å; Q406-C439 PolarHBondContact OE1-SG 3.22Å
407	V	83.8	Confident	83.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-41.3	180	175.1	0	0	0	0	111.1	K403 I409 M411 M575 L578 Y579	K403-V407 VanDerWaalsContact O-CG2 3.22Å; K403-V407 WeakPolarHBondContact O-CG2 3.47Å; K403-V407 PolarHBondContact O-N 3.14Å; V407-I409 PolarHBondContact O-N 3.47Å; V407-M411 HydrophobicContact CG1-CG 3.93Å; V407-M411 HydrophobicContact CG1-SD 3.46Å; V407-M411 WeakPolarHBondContact CG1-SD 3.16Å; V407-M411 VanDerWaalsContact O-CB 3.24Å; V407-M411 WeakPolarHBondContact O-CB 3.49Å; V407-M411 VanDerWaalsContact O-CG 3.26Å; V407-M411 WeakPolarHBondContact O-CG 3.25Å; V407-M411 PolarHBondContact O-N 3.3Å; V407-M575 HydrophobicContact CB-SD 4.35Å; V407-M575 HydrophobicContact CG2-CG 4.34Å; V407-M575 HydrophobicContact CG2-SD 3.52Å; V407-M575 VanDerWaalsContact CG2-SD 3.52Å; V407-L578 HydrophobicContact CG1-CD2 3.85Å; V407-L578 HydrophobicContact CG1-CG 4.32Å; V407-Y579 HydrophobicContact CB-CE1 4.38Å; V407-Y579 HydrophobicContact CG1-CD1 4.09Å; V407-Y579 HydrophobicContact CG1-CE1 3.7Å; V407-Y579 HydrophobicContact CG1-CE2 4.38Å; V407-Y579 HydrophobicContact CG2-CE1 4.16Å; V407-Y579 HydrophobicContact CG2-CE2 3.77Å; V407-Y579 VanDerWaalsContact CG2-CZ 3.45Å; V407-Y579 VanDerWaalsContact CG2-OH 3.23Å; V407-Y579 WeakPolarHBondContact CG2-OH 3.23Å
408	F	82.4	Confident	83.7	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-56	-52	176.5	168.7	-110.2	0	0	0	111.9	V44 L404 Q405 Q406 T412 Y585 N617	V44-F408 HydrophobicContact CG2-CZ 4.48Å; L404-F408 VanDerWaalsContact O-CB 3.32Å; L404-F408 WeakPolarHBondContact O-CB 3.47Å; L404-F408 PolarHBondContact O-N 2.99Å; Q405-F408 WeakPolarHBondContact O-CB 3.45Å; Q405-F408 PolarHBondContact O-N 3.37Å; Q406-F408 VanDerWaalsContact C-N 3.29Å; Q406-F408 PolarHBondContact O-N 2.94Å; F408-T412 WeakPolarHBondContact CE2-OG1 3.41Å; F408-T412 WeakPolarHBondContact O-CB 3.25Å; F408-T412 PolarHBondContact O-N 3Å; F408-T412 PolarHBondContact O-OG1 3.27Å; F408-Y585 HydrophobicContact CB-CE1 4.23Å; F408-Y585 AromaticContact CD2-CD1 3.85Å; F408-Y585 HydrophobicContact CD2-CD1 3.85Å; F408-Y585 AromaticContact CD2-CD2 3.86Å; F408-Y585 HydrophobicContact CD2-CD2 3.86Å; F408-Y585 AromaticContact CD2-CE1 3.4Å; F408-Y585 HydrophobicContact CD2-CE1 3.4Å; F408-Y585 VanDerWaalsContact CD2-CE1 3.4Å; F408-Y585 AromaticContact CD2-CE2 3.44Å; F408-Y585 HydrophobicContact CD2-CE2 3.44Å; F408-Y585 VanDerWaalsContact CD2-CE2 3.44Å; F408-Y585 HydrophobicContact CD2-CG 4.06Å; F408-Y585 AromaticContact CD2-CZ 3.2Å; F408-Y585 WeakPolarHBondContact CD2-OH 3.43Å; F408-Y585 HydrophobicContact CE2-CD1 4.21Å; F408-Y585 AromaticContact CE2-CD2 3.57Å; F408-Y585 HydrophobicContact CE2-CD2 3.57Å; F408-Y585 HydrophobicContact CE2-CE1 4.13Å; F408-Y585 AromaticContact CE2-CE2 3.49Å; F408-Y585 HydrophobicContact CE2-CE2 3.49Å; F408-Y585 VanDerWaalsContact CE2-CE2 3.49Å; F408-Y585 AromaticContact CE2-CG 3.96Å; F408-Y585 HydrophobicContact CE2-CG 3.96Å; F408-Y585 AromaticContact CE2-CZ 3.8Å; F408-Y585 HydrophobicContact CG-CE1 4.18Å; F408-N617 WeakPolarHBondContact CE1-ND2 3.43Å; F408-N617 WeakPolarHBondContact CZ-ND2 3.47Å
409	I	80.4	Confident	83.4	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-47.4	-176.3	-66.7	174.1	0	0	0	110	Q405 Q406 V407 T412 L413 Y432 N435	Q405-I409 HydrophobicContact CG-CD1 4.21Å; Q405-I409 WeakPolarHBondContact O-CG1 3.21Å; Q405-I409 PolarHBondContact O-N 3.01Å; Q406-I409 PolarHBondContact O-N 2.76Å; V407-I409 PolarHBondContact O-N 3.47Å; I409-T412 PolarHBondContact O-N 3.5Å; I409-L413 HydrophobicContact CG2-CD1 3.61Å; I409-L413 HydrophobicContact CG2-CG 4.33Å; I409-L413 WeakPolarHBondContact O-CB 3.2Å; I409-L413 VanDerWaalsContact O-CG 3.32Å; I409-L413 WeakPolarHBondContact O-CG 3.37Å; I409-L413 PolarHBondContact O-N 3.33Å; I409-Y432 HydrophobicContact CG2-CD2 3.49Å; I409-Y432 VanDerWaalsContact CG2-CD2 3.49Å; I409-Y432 HydrophobicContact CG2-CE2 3.68Å; I409-Y432 HydrophobicContact CG2-CG 4.16Å; I409-N435 WeakPolarHBondContact CD1-OD1 3.38Å
410	E	81.6	Confident	83.3	Confident	67 Å²	67	27.8 Å²	27.8	31%	0.313	13%	0.129	S	C	.	.	H	α-helix	trans	-60.5	-49	179.3	-75	178.3	-177	0	0	112	Q406 L413 K414 Y579	Q406-E410 HydrophobicContact CG-CG 4.37Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.3Å; Q406-E410 PolarHBondContact NE2-OE1 3.03Å; Q406-E410 WeakPolarHBondContact O-CB 3.38Å; Q406-E410 WeakPolarHBondContact O-CG 3.35Å; Q406-E410 PolarHBondContact O-N 3.33Å; E410-L413 PolarHBondContact O-N 3.5Å; E410-K414 WeakPolarHBondContact O-CB 3.5Å; E410-K414 PolarHBondContact O-N 3.24Å; E410-Y579 PolarHBondContact OE2-OH 2.88Å
411	M	79.5	Confident	83.4	Confident	31 Å²	31	35.2 Å²	35.2	15%	0.153	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-41.2	179.2	-70.6	-175.5	75	0	0	111.5	V407 E415 Y579 K581 P583	V407-M411 HydrophobicContact CG1-CG 3.93Å; V407-M411 HydrophobicContact CG1-SD 3.46Å; V407-M411 WeakPolarHBondContact CG1-SD 3.16Å; V407-M411 VanDerWaalsContact O-CB 3.24Å; V407-M411 WeakPolarHBondContact O-CB 3.49Å; V407-M411 VanDerWaalsContact O-CG 3.26Å; V407-M411 WeakPolarHBondContact O-CG 3.25Å; V407-M411 PolarHBondContact O-N 3.3Å; M411-E415 VanDerWaalsContact O-CB 3.29Å; M411-E415 WeakPolarHBondContact O-CB 3.42Å; M411-E415 PolarHBondContact O-N 3Å; M411-Y579 HydrophobicContact CG-CD1 3.93Å; M411-Y579 HydrophobicContact CG-CE1 3.95Å; M411-Y579 HydrophobicContact SD-CD1 3.79Å; M411-Y579 HydrophobicContact SD-CE1 4.24Å; M411-K581 WeakPolarHBondContact CE-O 3.13Å; M411-P583 HydrophobicContact CE-CG 3.77Å; M411-P583 HydrophobicContact SD-CG 4.15Å
412	T	78.4	Confident	83.5	Confident	5 Å²	5	41 Å²	41	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-46.2	178	-62.5	0	0	0	0	111.2	F408 I409 E416 V620 R621	F408-T412 WeakPolarHBondContact CE2-OG1 3.41Å; F408-T412 WeakPolarHBondContact O-CB 3.25Å; F408-T412 PolarHBondContact O-N 3Å; F408-T412 PolarHBondContact O-OG1 3.27Å; I409-T412 PolarHBondContact O-N 3.5Å; T412-E416 VanDerWaalsContact O-CG 3.29Å; T412-E416 WeakPolarHBondContact O-CG 3.4Å; T412-E416 PolarHBondContact O-N 3.15Å; T412-V620 HydrophobicContact CG2-CG1 4.5Å; T412-R621 VanDerWaalsContact CG2-CZ 3.42Å
413	L	79.9	Confident	83.5	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-43.8	179.4	-73.9	169.8	0	0	0	111.9	I409 E410 E416 Q417 W427 V430 Y432 V620	I409-L413 HydrophobicContact CG2-CD1 3.61Å; I409-L413 HydrophobicContact CG2-CG 4.33Å; I409-L413 WeakPolarHBondContact O-CB 3.2Å; I409-L413 VanDerWaalsContact O-CG 3.32Å; I409-L413 WeakPolarHBondContact O-CG 3.37Å; I409-L413 PolarHBondContact O-N 3.33Å; E410-L413 PolarHBondContact O-N 3.5Å; L413-E416 PolarHBondContact O-N 3.35Å; L413-Q417 WeakPolarHBondContact O-CB 2.78Å; L413-Q417 VanDerWaalsContact O-CG 3.25Å; L413-Q417 WeakPolarHBondContact O-CG 3.4Å; L413-Q417 PolarHBondContact O-N 3.43Å; L413-W427 HydrophobicContact CD2-CH2 4Å; L413-W427 HydrophobicContact CD2-CZ2 4.22Å; L413-V430 HydrophobicContact CD2-CB 4.36Å; L413-V430 HydrophobicContact CD2-CG2 4.43Å; L413-Y432 HydrophobicContact CD1-CD1 3.49Å; L413-Y432 VanDerWaalsContact CD1-CD1 3.49Å; L413-Y432 HydrophobicContact CD1-CD2 4.13Å; L413-Y432 HydrophobicContact CD1-CE1 3.24Å; L413-Y432 HydrophobicContact CD1-CE2 3.9Å; L413-Y432 HydrophobicContact CD1-CG 3.94Å; L413-Y432 VanDerWaalsContact CD1-CZ 3.45Å; L413-V620 HydrophobicContact CD2-CG1 3.94Å; L413-V620 HydrophobicContact CG-CG1 4.31Å
414	K	79.8	Confident	83.5	Confident	125 Å²	125	42.7 Å²	42.7	54%	0.543	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-44.6	179.3	-177	176.3	175.2	179.5	0	111.6	E410 E416 Q417 E418	E410-K414 WeakPolarHBondContact O-CB 3.5Å; E410-K414 PolarHBondContact O-N 3.24Å; K414-E416 VanDerWaalsContact C-N 3.35Å; K414-E416 PolarHBondContact O-N 3.47Å; K414-Q417 PolarHBondContact O-N 2.89Å; K414-E418 WeakPolarHBondContact CE-OE1 3.25Å; K414-E418 HydrophobicContact CG-CG 4.43Å; K414-E418 IonicContact NZ-OE1 2.7Å; K414-E418 WeakPolarHBondContact O-CB 3.33Å; K414-E418 WeakPolarHBondContact O-CG 3.38Å; K414-E418 PolarHBondContact O-N 3.44Å
415	E	77.4	Confident	83.6	Confident	59 Å²	59	43 Å²	43	28%	0.276	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-42.7	176.8	-171.5	-173.4	177.4	0	0	111.6	M411 E419	M411-E415 VanDerWaalsContact O-CB 3.29Å; M411-E415 WeakPolarHBondContact O-CB 3.42Å; M411-E415 PolarHBondContact O-N 3Å; E415-E419 VanDerWaalsContact O-CB 3.31Å; E415-E419 WeakPolarHBondContact O-CB 3.3Å; E415-E419 PolarHBondContact O-N 3Å; E415-E419 VanDerWaalsContact O-N 3.08Å
416	E	77.3	Confident	83.6	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.065	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-40.6	176.7	-67.2	-68.3	140.6	0	0	111.9	T412 L413 K414 E419 Y420 W427 R621 R628	T412-E416 VanDerWaalsContact O-CG 3.29Å; T412-E416 WeakPolarHBondContact O-CG 3.4Å; T412-E416 PolarHBondContact O-N 3.15Å; L413-E416 PolarHBondContact O-N 3.35Å; K414-E416 VanDerWaalsContact C-N 3.35Å; K414-E416 PolarHBondContact O-N 3.47Å; E416-E419 PolarHBondContact O-N 2.95Å; E416-Y420 HydrophobicContact CB-CE1 4.41Å; E416-Y420 WeakPolarHBondContact O-CD1 3.45Å; E416-Y420 PolarHBondContact O-N 3.43Å; E416-Y420 VanDerWaalsContact OE2-CE1 3.28Å; E416-Y420 WeakPolarHBondContact OE2-CE1 3.5Å; E416-Y420 PolarHBondContact OE2-OH 3.13Å; E416-Y420 VanDerWaalsContact OE2-OH 3.12Å; E416-W427 HydrophobicContact CB-CH2 4.46Å; E416-W427 HydrophobicContact CB-CZ3 4.01Å; E416-R621 IonicContact OE1-NH1 3.52Å; E416-R621 PolarHBondContact OE1-NH1 2.86Å; E416-R628 IonicContact OE1-CZ 3.62Å; E416-R628 VanDerWaalsContact OE1-CZ 3.26Å; E416-R628 IonicContact OE1-NH1 3.84Å; E416-R628 PolarHBondContact OE1-NH1 3.37Å; E416-R628 IonicContact OE1-NH2 3.81Å; E416-R628 PolarHBondContact OE1-NH2 2.98Å; E416-R628 IonicContact OE2-NH1 2.83Å; E416-R628 PolarHBondContact OE2-NH1 3.17Å
417	Q	82.6	Confident	83.4	Confident	84 Å²	84	50.4 Å²	50.4	39%	0.393	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-51.5	176.5	-76.5	171.6	8.5	0	0	112.1	L413 K414 E419 Y420 E421 W427	L413-Q417 WeakPolarHBondContact O-CB 2.78Å; L413-Q417 VanDerWaalsContact O-CG 3.25Å; L413-Q417 WeakPolarHBondContact O-CG 3.4Å; L413-Q417 PolarHBondContact O-N 3.43Å; K414-Q417 PolarHBondContact O-N 2.89Å; Q417-E419 VanDerWaalsContact C-N 3.27Å; Q417-E419 PolarHBondContact O-N 3.22Å; Q417-Y420 PolarHBondContact O-N 2.94Å; Q417-E421 WeakPolarHBondContact O-CB 3.29Å; Q417-E421 PolarHBondContact O-N 3.43Å; Q417-W427 HydrophobicContact CB-CE3 4.46Å; Q417-W427 HydrophobicContact CG-CD2 3.63Å; Q417-W427 HydrophobicContact CG-CE3 3.67Å; Q417-W427 HydrophobicContact CG-CG 4.38Å; Q417-W427 HydrophobicContact CG-CH2 3.62Å; Q417-W427 HydrophobicContact CG-CZ2 3.57Å; Q417-W427 HydrophobicContact CG-CZ3 3.66Å; Q417-W427 VanDerWaalsContact NE2-CZ2 3.27Å
418	E	84	Confident	83.2	Confident	87 Å²	87	54.8 Å²	54.8	41%	0.407	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-37	179.5	-72.9	177.3	-177.6	0	0	111.7	K414 R422	K414-E418 WeakPolarHBondContact CE-OE1 3.25Å; K414-E418 HydrophobicContact CG-CG 4.43Å; K414-E418 IonicContact NZ-OE1 2.7Å; K414-E418 WeakPolarHBondContact O-CB 3.33Å; K414-E418 WeakPolarHBondContact O-CG 3.38Å; K414-E418 PolarHBondContact O-N 3.44Å; E418-R422 VanDerWaalsContact O-CB 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.31Å; E418-R422 PolarHBondContact O-N 3.38Å
419	E	82.6	Confident	83.1	Confident	16 Å²	16	62.7 Å²	62.7	8%	0.075	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-40.7	176.9	-172.4	67.3	-169.8	0	0	111.7	E415 E416 Q417 R422 E423 K677 F679	E415-E419 VanDerWaalsContact O-CB 3.31Å; E415-E419 WeakPolarHBondContact O-CB 3.3Å; E415-E419 PolarHBondContact O-N 3Å; E415-E419 VanDerWaalsContact O-N 3.08Å; E416-E419 PolarHBondContact O-N 2.95Å; Q417-E419 VanDerWaalsContact C-N 3.27Å; Q417-E419 PolarHBondContact O-N 3.22Å; E419-R422 PolarHBondContact O-N 2.96Å; E419-R422 IonicContact OE2-CZ 3.69Å; E419-R422 IonicContact OE2-NH1 3.11Å; E419-R422 PolarHBondContact OE2-NH1 2.98Å; E419-E423 WeakPolarHBondContact O-CB 3.3Å; E419-E423 WeakPolarHBondContact O-CG 3.4Å; E419-E423 PolarHBondContact O-N 3.22Å; E419-K677 IonicContact OE1-NZ 3.42Å; E419-K677 PolarHBondContact OE1-NZ 3.35Å; E419-F679 HydrophobicContact CG-CE1 4.48Å; E419-F679 HydrophobicContact CG-CZ 4.23Å
420	Y	87.3	Confident	82.9	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-70.8	-40.2	-178.6	-75.4	27.9	0	0	0	110.3	E416 Q417 E423 G424 I425 W427 G624 Y625 F679	E416-Y420 HydrophobicContact CB-CE1 4.41Å; E416-Y420 WeakPolarHBondContact O-CD1 3.45Å; E416-Y420 PolarHBondContact O-N 3.43Å; E416-Y420 VanDerWaalsContact OE2-CE1 3.28Å; E416-Y420 WeakPolarHBondContact OE2-CE1 3.5Å; E416-Y420 PolarHBondContact OE2-OH 3.13Å; E416-Y420 VanDerWaalsContact OE2-OH 3.12Å; Q417-Y420 PolarHBondContact O-N 2.94Å; Y420-E423 CarbonylContact O-C 3.44Å; Y420-E423 PolarHBondContact O-N 3.12Å; Y420-G424 PolarHBondContact O-N 3.01Å; Y420-I425 HydrophobicContact CD2-CB 4.27Å; Y420-I425 HydrophobicContact CD2-CG2 3.76Å; Y420-I425 HydrophobicContact CE2-CG2 4.34Å; Y420-I425 HydrophobicContact CG-CB 4.13Å; Y420-I425 HydrophobicContact CG-CG2 4.11Å; Y420-I425 PolarHBondContact O-N 3.41Å; Y420-W427 AromaticContact CD2-CE3 3.9Å; Y420-W427 HydrophobicContact CD2-CE3 3.9Å; Y420-W427 HydrophobicContact CD2-CZ3 4.4Å; Y420-W427 HydrophobicContact CE2-CE3 4.19Å; Y420-W427 HydrophobicContact CE2-CZ3 4.33Å; Y420-W427 HydrophobicContact CG-CE3 4.45Å; Y420-G624 WeakPolarHBondContact OH-CA 2.94Å; Y420-Y625 HydrophobicContact CD2-CD2 4.43Å; Y420-Y625 HydrophobicContact CD2-CE2 4.47Å; Y420-Y625 HydrophobicContact CE1-CD2 4.36Å; Y420-Y625 AromaticContact CE2-CD2 3.54Å; Y420-Y625 HydrophobicContact CE2-CD2 3.54Å; Y420-Y625 AromaticContact CE2-CE2 3.87Å; Y420-Y625 HydrophobicContact CE2-CE2 3.87Å; Y420-Y625 AromaticContact CZ-CD2 3.56Å; Y420-Y625 PolarHBondContact OH-N 2.75Å; Y420-F679 AromaticContact CD1-CE1 3.88Å; Y420-F679 HydrophobicContact CD1-CE1 3.88Å; Y420-F679 HydrophobicContact CD1-CZ 4.48Å; Y420-F679 HydrophobicContact CE1-CD1 4.19Å; Y420-F679 AromaticContact CE1-CE1 3.76Å; Y420-F679 HydrophobicContact CE1-CE1 3.76Å
421	E	88.6	Confident	82.7	Confident	157 Å²	157	66.4 Å²	66.4	73%	0.734	33%	0.332	S	S	*	.	H	α-helix	trans	-60.5	-46.9	173.3	-175.2	175.5	-162.3	0	0	111.3	Q417 E423 G424	Q417-E421 WeakPolarHBondContact O-CB 3.29Å; Q417-E421 PolarHBondContact O-N 3.43Å; E421-E423 VanDerWaalsContact C-N 3.3Å; E421-E423 PolarHBondContact O-N 3.4Å; E421-G424 PolarHBondContact O-N 3.48Å
422	R	89.3	Confident	82.6	Confident	127 Å²	127	69.7 Å²	69.7	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-45.6	177.1	-168.3	-176.4	-57.5	135.5	11.2	111.3	E418 E419 G424 K675	E418-R422 VanDerWaalsContact O-CB 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.31Å; E418-R422 PolarHBondContact O-N 3.38Å; E419-R422 PolarHBondContact O-N 2.96Å; E419-R422 IonicContact OE2-CZ 3.69Å; E419-R422 IonicContact OE2-NH1 3.11Å; E419-R422 PolarHBondContact OE2-NH1 2.98Å; R422-G424 VanDerWaalsContact C-N 3.33Å; R422-K675 WeakPolarHBondContact O-CD 3.45Å; R422-K675 PolarHBondContact O-NZ 3.49Å
423	E	91	Very high	82.8	Confident	8 Å²	8	73 Å²	73	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-82.8	-5.1	-177.4	-68.3	-67.9	147	0	0	114.1	E419 Y420 E421 I425 G674 K675 T676 K677 F679	E419-E423 WeakPolarHBondContact O-CB 3.3Å; E419-E423 WeakPolarHBondContact O-CG 3.4Å; E419-E423 PolarHBondContact O-N 3.22Å; Y420-E423 CarbonylContact O-C 3.44Å; Y420-E423 PolarHBondContact O-N 3.12Å; E421-E423 VanDerWaalsContact C-N 3.3Å; E421-E423 PolarHBondContact O-N 3.4Å; E423-I425 HydrophobicContact CB-CG1 4.11Å; E423-G674 CarbonylContact O-C 3.52Å; E423-G674 VanDerWaalsContact O-CA 3.32Å; E423-G674 WeakPolarHBondContact O-CA 3.47Å; E423-K675 PolarHBondContact O-N 2.78Å; E423-K675 PolarHBondContact OE2-N 3.32Å; E423-T676 PolarHBondContact OE1-OG1 2.98Å; E423-T676 PolarHBondContact OE2-N 2.99Å; E423-T676 PolarHBondContact OE2-OG1 3.42Å; E423-K677 PolarHBondContact OE2-N 2.89Å; E423-K677 VanDerWaalsContact OE2-N 3.12Å; E423-F679 HydrophobicContact CB-CE2 3.69Å; E423-F679 HydrophobicContact CB-CZ 3.88Å; E423-F679 HydrophobicContact CG-CE2 3.72Å; E423-F679 HydrophobicContact CG-CZ 3.73Å
424	G	88.8	Confident	82.9	Confident	53 Å²	53	76.1 Å²	76.1	55%	0.546	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	27.6	-180	0	0	0	0	0	114.4	Y420 E421 R422	Y420-G424 PolarHBondContact O-N 3.01Å; E421-G424 PolarHBondContact O-N 3.48Å; R422-G424 VanDerWaalsContact C-N 3.33Å
425	I	89.3	Confident	83.3	Confident	13 Å²	13	70.3 Å²	70.3	7%	0.067	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-91.9	134.6	178.3	-59.3	-55.1	0	0	0	109.6	Y420 E423 W427 Y625 A672 F679	Y420-I425 HydrophobicContact CD2-CB 4.27Å; Y420-I425 HydrophobicContact CD2-CG2 3.76Å; Y420-I425 HydrophobicContact CE2-CG2 4.34Å; Y420-I425 HydrophobicContact CG-CB 4.13Å; Y420-I425 HydrophobicContact CG-CG2 4.11Å; Y420-I425 PolarHBondContact O-N 3.41Å; E423-I425 HydrophobicContact CB-CG1 4.11Å; I425-W427 PolarHBondContact O-N 2.91Å; I425-Y625 HydrophobicContact CG2-CD2 4.27Å; I425-Y625 HydrophobicContact CG2-CE2 3.49Å; I425-Y625 VanDerWaalsContact CG2-CE2 3.49Å; I425-A672 HydrophobicContact CD1-CB 3.93Å; I425-F679 HydrophobicContact CD1-CD2 4.28Å; I425-F679 HydrophobicContact CG1-CD2 3.99Å; I425-F679 HydrophobicContact CG1-CE2 3.96Å; I425-F679 HydrophobicContact CG1-CG 4.47Å; I425-F679 HydrophobicContact CG1-CZ 4.4Å
426	P	85.2	Confident	83.8	Confident	98 Å²	98	67.8 Å²	67.8	64%	0.636	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-65.8	126.1	178.4	26.3	-33.8	0	0	0	111.2
427	W	83	Confident	84.5	Confident	88 Å²	88	70.6 Å²	70.6	33%	0.333	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-75.9	125.7	174	177.7	-106.4	0	0	0	110.6	L413 E416 Q417 Y420 I425 V430	L413-W427 HydrophobicContact CD2-CH2 4Å; L413-W427 HydrophobicContact CD2-CZ2 4.22Å; E416-W427 HydrophobicContact CB-CH2 4.46Å; E416-W427 HydrophobicContact CB-CZ3 4.01Å; Q417-W427 HydrophobicContact CB-CE3 4.46Å; Q417-W427 HydrophobicContact CG-CD2 3.63Å; Q417-W427 HydrophobicContact CG-CE3 3.67Å; Q417-W427 HydrophobicContact CG-CG 4.38Å; Q417-W427 HydrophobicContact CG-CH2 3.62Å; Q417-W427 HydrophobicContact CG-CZ2 3.57Å; Q417-W427 HydrophobicContact CG-CZ3 3.66Å; Q417-W427 VanDerWaalsContact NE2-CZ2 3.27Å; Y420-W427 AromaticContact CD2-CE3 3.9Å; Y420-W427 HydrophobicContact CD2-CE3 3.9Å; Y420-W427 HydrophobicContact CD2-CZ3 4.4Å; Y420-W427 HydrophobicContact CE2-CE3 4.19Å; Y420-W427 HydrophobicContact CE2-CZ3 4.33Å; Y420-W427 HydrophobicContact CG-CE3 4.45Å; I425-W427 PolarHBondContact O-N 2.91Å; W427-V430 HydrophobicContact CH2-CG2 4.15Å; W427-V430 HydrophobicContact CZ2-CG2 4.04Å
428	T	79.8	Confident	85	Confident	91 Å²	91	66.6 Å²	66.6	56%	0.558	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-97.5	127	169.4	-54.8	0	0	0	0	108.1	V430	T428-V430 PolarHBondContact O-N 3.44Å; T428-V430 VanDerWaalsContact O-N 3.13Å
429	K	79.4	Confident	85.4	Confident	170 Å²	170	62.5 Å²	62.5	74%	0.739	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-60.8	120.4	177	-173.8	179.4	175.8	-174.2	0	109
430	V	75.9	Confident	85.8	Confident	15 Å²	15	66 Å²	66	9%	0.091	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-88.4	126.1	174.1	-175.4	0	0	0	0	107.7	L413 W427 T428 Y432 A623	L413-V430 HydrophobicContact CD2-CB 4.36Å; L413-V430 HydrophobicContact CD2-CG2 4.43Å; W427-V430 HydrophobicContact CH2-CG2 4.15Å; W427-V430 HydrophobicContact CZ2-CG2 4.04Å; T428-V430 PolarHBondContact O-N 3.44Å; T428-V430 VanDerWaalsContact O-N 3.13Å; V430-Y432 WeakPolarHBondContact O-CD1 3.42Å; V430-Y432 PolarHBondContact O-N 2.69Å; V430-A623 HydrophobicContact CB-CB 4.01Å; V430-A623 HydrophobicContact CG1-CB 3.45Å; V430-A623 VanDerWaalsContact CG1-CB 3.45Å; V430-A623 HydrophobicContact CG2-CB 3.47Å; V430-A623 VanDerWaalsContact CG2-CB 3.47Å
431	D	77.6	Confident	86.1	Confident	140 Å²	140	66.1 Å²	66.1	75%	0.749	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-77.8	120.4	169.7	-65.7	-37.1	0	0	0	108.7
432	Y	78.3	Confident	86.4	Confident	101 Å²	101	58.6 Å²	58.6	40%	0.396	30%	0.301	S	S	.	.			trans	-141.8	161.7	177.4	70.3	-85.4	0	0	0	109.9	I409 L413 V430	I409-Y432 HydrophobicContact CG2-CD2 3.49Å; I409-Y432 VanDerWaalsContact CG2-CD2 3.49Å; I409-Y432 HydrophobicContact CG2-CE2 3.68Å; I409-Y432 HydrophobicContact CG2-CG 4.16Å; L413-Y432 HydrophobicContact CD1-CD1 3.49Å; L413-Y432 VanDerWaalsContact CD1-CD1 3.49Å; L413-Y432 HydrophobicContact CD1-CD2 4.13Å; L413-Y432 HydrophobicContact CD1-CE1 3.24Å; L413-Y432 HydrophobicContact CD1-CE2 3.9Å; L413-Y432 HydrophobicContact CD1-CG 3.94Å; L413-Y432 VanDerWaalsContact CD1-CZ 3.45Å; V430-Y432 WeakPolarHBondContact O-CD1 3.42Å; V430-Y432 PolarHBondContact O-N 2.69Å
433	F	80.9	Confident	86.6	Confident	74 Å²	74	54.2 Å²	54.2	33%	0.325	29%	0.286	S	S	.	.			trans	-79.7	123.8	176.8	-179.8	-99.9	0	0	0	111	N435 I438 H481	F433-N435 PolarHBondContact O-N 2.74Å; F433-N435 PolarHBondContact O-OD1 3.19Å; F433-I438 HydrophobicContact CE1-CD1 3.64Å; F433-I438 HydrophobicContact CE1-CG1 4.47Å; F433-I438 HydrophobicContact CZ-CD1 3.65Å; F433-I438 HydrophobicContact CZ-CG1 4.26Å; F433-H481 AromaticContact CE2-CE1 3.61Å; F433-H481 AromaticContact CZ-CE1 3.48Å; F433-H481 VanDerWaalsContact CZ-CE1 3.48Å; F433-H481 WeakPolarHBondContact CZ-CE1 3.36Å
434	D	83.5	Confident	86.6	Confident	73 Å²	73	57.7 Å²	57.7	39%	0.39	30%	0.302	S	S	.	.			trans	-82.7	100.6	177.1	-178.5	8.1	0	0	0	111.5	G436 I437	D434-G436 PolarHBondContact O-N 2.71Å; D434-G436 WeakPolarHBondContact OD1-CA 3.42Å; D434-G436 PolarHBondContact OD1-N 3.39Å; D434-I437 HydrophobicContact CB-CD1 4.47Å
435	N	87.2	Confident	86.5	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.9	175.8	-62.5	75.6	0	0	0	113.4	E402 Q406 I409 F433 I437 I438 C439 Y508	E402-N435 PolarHBondContact OE2-ND2 2.69Å; Q406-N435 HydrophobicContact CB-CB 3.85Å; Q406-N435 HydrophobicContact CG-CB 4.36Å; I409-N435 WeakPolarHBondContact CD1-OD1 3.38Å; F433-N435 PolarHBondContact O-N 2.74Å; F433-N435 PolarHBondContact O-OD1 3.19Å; N435-I437 PolarHBondContact O-N 3.35Å; N435-I438 PolarHBondContact O-N 2.79Å; N435-I438 VanDerWaalsContact O-N 3.15Å; N435-C439 PolarHBondContact O-N 3.4Å; N435-C439 PolarHBondContact O-SG 3.39Å; N435-Y508 WeakPolarHBondContact ND2-CB 3.05Å
436	G	88.1	Confident	86.2	Confident	5 Å²	5	67.8 Å²	67.8	5%	0.052	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-31.2	179.7	0	0	0	0	0	113.1	D434 I438 C439 N440	D434-G436 PolarHBondContact O-N 2.71Å; D434-G436 WeakPolarHBondContact OD1-CA 3.42Å; D434-G436 PolarHBondContact OD1-N 3.39Å; G436-I438 PolarHBondContact O-N 3.2Å; G436-C439 PolarHBondContact O-N 2.71Å; G436-N440 VanDerWaalsContact O-CB 3.26Å; G436-N440 WeakPolarHBondContact O-CB 3.4Å; G436-N440 PolarHBondContact O-N 2.8Å; G436-N440 PolarHBondContact O-ND2 2.95Å
437	I	91.6	Very high	86.2	Confident	74 Å²	74	71.3 Å²	71.3	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-43.6	177.6	-61.1	160.6	0	0	0	111	D434 N435 L441	D434-I437 HydrophobicContact CB-CD1 4.47Å; N435-I437 PolarHBondContact O-N 3.35Å; I437-L441 PolarHBondContact O-N 3.15Å
438	I	92.8	Very high	86.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-73.7	-40.8	-179.9	-55.8	173.6	0	0	0	110.2	E402 F433 N435 G436 N440 L441 I442 H481 I505 C506	E402-I438 HydrophobicContact CG-CG2 4.1Å; E402-I438 WeakPolarHBondContact OE1-CD1 3.48Å; F433-I438 HydrophobicContact CE1-CD1 3.64Å; F433-I438 HydrophobicContact CE1-CG1 4.47Å; F433-I438 HydrophobicContact CZ-CD1 3.65Å; F433-I438 HydrophobicContact CZ-CG1 4.26Å; N435-I438 PolarHBondContact O-N 2.79Å; N435-I438 VanDerWaalsContact O-N 3.15Å; G436-I438 PolarHBondContact O-N 3.2Å; I438-N440 VanDerWaalsContact C-N 3.32Å; I438-N440 PolarHBondContact O-N 2.89Å; I438-L441 WeakPolarHBondContact O-CB 3.34Å; I438-L441 PolarHBondContact O-N 2.96Å; I438-I442 HydrophobicContact CG2-CD1 4.14Å; I438-I442 WeakPolarHBondContact O-CG1 3.15Å; I438-I442 PolarHBondContact O-N 3.31Å; I438-I442 VanDerWaalsContact O-N 3.17Å; I438-H481 HydrophobicContact CG1-CB 4.49Å; I438-I505 HydrophobicContact CG2-CG2 4.09Å; I438-C506 WeakPolarHBondContact CD1-O 3.24Å
439	C	92.3	Very high	87.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-45.8	175.7	-63.5	0	0	0	0	110.8	K403 Q406 N435 G436 I442 E443	K403-C439 HydrophobicContact CD-CB 3.73Å; K403-C439 VanDerWaalsContact CD-SG 3.56Å; Q406-C439 PolarHBondContact OE1-SG 3.22Å; N435-C439 PolarHBondContact O-N 3.4Å; N435-C439 PolarHBondContact O-SG 3.39Å; G436-C439 PolarHBondContact O-N 2.71Å; C439-I442 PolarHBondContact O-N 3.38Å; C439-I442 VanDerWaalsContact O-N 3.17Å; C439-E443 WeakPolarHBondContact O-CB 3.29Å; C439-E443 VanDerWaalsContact O-CG 3.27Å; C439-E443 WeakPolarHBondContact O-CG 3.28Å; C439-E443 PolarHBondContact O-N 2.81Å
440	N	92.6	Very high	87.9	Confident	91 Å²	91	54.8 Å²	54.8	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-41.3	176	-77.4	-38.3	0	0	0	112.5	G436 I438 I442 H444	G436-N440 VanDerWaalsContact O-CB 3.26Å; G436-N440 WeakPolarHBondContact O-CB 3.4Å; G436-N440 PolarHBondContact O-N 2.8Å; G436-N440 PolarHBondContact O-ND2 2.95Å; I438-N440 VanDerWaalsContact C-N 3.32Å; I438-N440 PolarHBondContact O-N 2.89Å; N440-I442 PolarHBondContact O-N 3.4Å; N440-H444 WeakPolarHBondContact O-CB 3.45Å; N440-H444 PolarHBondContact O-N 3.44Å
441	L	93.9	Very high	88.6	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-38.5	174.3	174.7	65.8	0	0	0	111.7	I437 I438 G448 I449 F476 H481 I505	I437-L441 PolarHBondContact O-N 3.15Å; I438-L441 WeakPolarHBondContact O-CB 3.34Å; I438-L441 PolarHBondContact O-N 2.96Å; L441-G448 CarbonylContact O-C 3.56Å; L441-G448 VanDerWaalsContact O-CA 3.25Å; L441-G448 WeakPolarHBondContact O-CA 3.28Å; L441-I449 HydrophobicContact CD2-CD1 4.5Å; L441-I449 HydrophobicContact CG-CD1 4.1Å; L441-I449 PolarHBondContact O-N 3.31Å; L441-F476 HydrophobicContact CD1-CB 4.49Å; L441-F476 HydrophobicContact CD1-CD1 3.33Å; L441-F476 HydrophobicContact CD1-CD2 4.28Å; L441-F476 HydrophobicContact CD1-CE1 3.4Å; L441-F476 VanDerWaalsContact CD1-CE1 3.4Å; L441-F476 HydrophobicContact CD1-CE2 4.34Å; L441-F476 HydrophobicContact CD1-CG 3.79Å; L441-F476 HydrophobicContact CD1-CZ 3.9Å; L441-H481 HydrophobicContact CD2-CB 4.43Å; L441-I505 HydrophobicContact CD2-CG2 4.48Å
442	I	94.2	Very high	89.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-85.7	-48.4	-177	-62.7	167.9	0	0	0	111.8	F395 Y399 I438 C439 N440 G448 I449 L450 I505	F395-I442 HydrophobicContact CE1-CG2 4.12Å; F395-I442 HydrophobicContact CE2-CD1 4.36Å; F395-I442 HydrophobicContact CE2-CG1 4.16Å; F395-I442 HydrophobicContact CE2-CG2 4.4Å; F395-I442 HydrophobicContact CZ-CB 4.41Å; F395-I442 HydrophobicContact CZ-CG1 4.13Å; F395-I442 HydrophobicContact CZ-CG2 3.63Å; Y399-I442 HydrophobicContact CD1-CG2 4.32Å; Y399-I442 HydrophobicContact CD2-CB 3.96Å; Y399-I442 HydrophobicContact CD2-CD1 4.19Å; Y399-I442 HydrophobicContact CD2-CG2 3.57Å; Y399-I442 HydrophobicContact CE2-CB 4.5Å; Y399-I442 HydrophobicContact CE2-CG2 4.17Å; Y399-I442 HydrophobicContact CG-CG2 3.68Å; I438-I442 HydrophobicContact CG2-CD1 4.14Å; I438-I442 WeakPolarHBondContact O-CG1 3.15Å; I438-I442 PolarHBondContact O-N 3.31Å; I438-I442 VanDerWaalsContact O-N 3.17Å; C439-I442 PolarHBondContact O-N 3.38Å; C439-I442 VanDerWaalsContact O-N 3.17Å; N440-I442 PolarHBondContact O-N 3.4Å; I442-G448 CarbonylContact O-C 3.34Å; I442-I449 HydrophobicContact CG1-CD1 4.42Å; I442-I449 PolarHBondContact O-N 3.47Å; I442-L450 HydrophobicContact CG2-CD1 4Å; I442-L450 HydrophobicContact CG2-CG 4.07Å; I442-L450 PolarHBondContact O-N 3.45Å; I442-L450 VanDerWaalsContact O-N 3.12Å; I442-I505 HydrophobicContact CD1-CD1 4.46Å; I442-I505 HydrophobicContact CG1-CD1 4.36Å
443	E	92.6	Very high	89.7	Confident	35 Å²	35	43.8 Å²	43.8	16%	0.164	21%	0.212	C	C	.	.	H	α-helix	trans	-99.6	-8	-164.2	87.4	-171.2	156.9	0	0	115	Y399 K403 C439 N445 K568	Y399-E443 HydrophobicContact CE2-CB 3.73Å; Y399-E443 HydrophobicContact CE2-CG 4.45Å; Y399-E443 WeakPolarHBondContact CE2-OE2 3.29Å; Y399-E443 WeakPolarHBondContact OH-CB 3.49Å; Y399-E443 PolarHBondContact OH-OE2 3.26Å; K403-E443 WeakPolarHBondContact CE-OE1 3.33Å; K403-E443 WeakPolarHBondContact CE-OE2 3.49Å; K403-E443 IonicContact NZ-OE1 2.69Å; K403-E443 PolarHBondContact NZ-OE1 3.32Å; K403-E443 IonicContact NZ-OE2 3.06Å; C439-E443 WeakPolarHBondContact O-CB 3.29Å; C439-E443 VanDerWaalsContact O-CG 3.27Å; C439-E443 WeakPolarHBondContact O-CG 3.28Å; C439-E443 PolarHBondContact O-N 2.81Å; E443-N445 PolarHBondContact O-N 2.87Å; E443-K568 HydrophobicContact CB-CD 4.49Å; E443-K568 VanDerWaalsContact O-CE 3.3Å; E443-K568 WeakPolarHBondContact O-CE 3.47Å; E443-K568 PolarHBondContact O-NZ 3.01Å
444	H	91.9	Very high	89.8	Confident	80 Å²	80	41.8 Å²	41.8	37%	0.37	20%	0.204	S	C	.	.			trans	-55.5	126.5	-175.6	-175.1	-85.5	0	0	0	112.1	N440 Q446 R447 G448 A451	N440-H444 WeakPolarHBondContact O-CB 3.45Å; N440-H444 PolarHBondContact O-N 3.44Å; H444-Q446 PolarHBondContact ND1-N 3.04Å; H444-Q446 PolarHBondContact O-N 2.57Å; H444-R447 WeakPolarHBondContact ND1-CB 3.3Å; H444-R447 PolarHBondContact ND1-N 3.4Å; H444-R447 PolarHBondContact O-N 3.05Å; H444-G448 WeakPolarHBondContact O-CA 3.49Å; H444-G448 PolarHBondContact O-N 2.97Å; H444-A451 WeakPolarHBondContact O-CB 3.39Å
445	N	86.1	Confident	89.9	Confident	127 Å²	127	42.8 Å²	42.8	68%	0.679	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.5	-168.3	-72.9	-26.2	0	0	0	114.9	E443 A451 K568	E443-N445 PolarHBondContact O-N 2.87Å; N445-A451 VanDerWaalsContact O-CB 3.24Å; N445-A451 WeakPolarHBondContact O-CB 2.97Å; N445-K568 PolarHBondContact OD1-NZ 3.35Å
446	Q	83.4	Confident	89.7	Confident	151 Å²	151	42.7 Å²	42.7	71%	0.706	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-13	-175.4	-64.9	-178.1	-16.7	0	0	114	H444 M452	H444-Q446 PolarHBondContact ND1-N 3.04Å; H444-Q446 PolarHBondContact O-N 2.57Å; Q446-M452 WeakPolarHBondContact O-CE 3.34Å
447	R	86.3	Confident	89.2	Confident	173 Å²	173	43.4 Å²	43.4	65%	0.653	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-146.3	16.6	-168.4	-61.1	-170	-178.9	-170.9	1.2	112.2	H444 F476	H444-R447 WeakPolarHBondContact ND1-CB 3.3Å; H444-R447 PolarHBondContact ND1-N 3.4Å; H444-R447 PolarHBondContact O-N 3.05Å; R447-F476 VanDerWaalsContact O-CE1 3.25Å; R447-F476 WeakPolarHBondContact O-CE1 3.13Å; R447-F476 WeakPolarHBondContact O-CZ 3.3Å
448	G	92.2	Very high	88.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-94.2	159.9	175	0	0	0	0	0	110.5	L441 I442 H444 L450 A451 M452	L441-G448 CarbonylContact O-C 3.56Å; L441-G448 VanDerWaalsContact O-CA 3.25Å; L441-G448 WeakPolarHBondContact O-CA 3.28Å; I442-G448 CarbonylContact O-C 3.34Å; H444-G448 WeakPolarHBondContact O-CA 3.49Å; H444-G448 PolarHBondContact O-N 2.97Å; G448-L450 VanDerWaalsContact C-N 3.28Å; G448-L450 PolarHBondContact O-N 2.79Å; G448-A451 PolarHBondContact O-N 3.38Å; G448-A451 VanDerWaalsContact O-N 3.16Å; G448-M452 WeakPolarHBondContact O-CG 3.21Å; G448-M452 PolarHBondContact O-N 3.41Å
449	I	93.9	Very high	87.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-42.4	179	-62.4	171.8	0	0	0	111.3	F395 L441 I442 M452 L453 F468 L472 F476 F503 I505	F395-I449 HydrophobicContact CE1-CG2 4.16Å; F395-I449 HydrophobicContact CE2-CD1 4.16Å; F395-I449 HydrophobicContact CE2-CG2 4.18Å; F395-I449 HydrophobicContact CZ-CB 3.9Å; F395-I449 HydrophobicContact CZ-CD1 4.25Å; F395-I449 HydrophobicContact CZ-CG2 3.54Å; L441-I449 HydrophobicContact CD2-CD1 4.5Å; L441-I449 HydrophobicContact CG-CD1 4.1Å; L441-I449 PolarHBondContact O-N 3.31Å; I442-I449 HydrophobicContact CG1-CD1 4.42Å; I442-I449 PolarHBondContact O-N 3.47Å; I449-M452 PolarHBondContact O-N 3.34Å; I449-L453 WeakPolarHBondContact O-CB 3.5Å; I449-L453 PolarHBondContact O-N 3.29Å; I449-F468 HydrophobicContact CG2-CZ 4.02Å; I449-L472 HydrophobicContact CB-CD2 4.39Å; I449-L472 HydrophobicContact CG1-CD2 4.15Å; I449-L472 HydrophobicContact CG2-CD1 4.34Å; I449-L472 HydrophobicContact CG2-CD2 4.14Å; I449-F476 HydrophobicContact CG1-CD2 4.47Å; I449-F476 HydrophobicContact CG1-CE2 3.81Å; I449-F476 HydrophobicContact CG1-CZ 4.23Å; I449-F503 HydrophobicContact CD1-CE2 4.47Å; I449-I505 HydrophobicContact CD1-CD1 3.65Å
450	L	91.4	Very high	85.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-41.4	178	-71.9	174.2	0	0	0	112.3	F392 F395 Y399 I442 G448 M452 L453 D454 K568	F392-L450 HydrophobicContact CE2-CD2 4.39Å; F395-L450 HydrophobicContact CE1-CD2 3.78Å; F395-L450 HydrophobicContact CE1-CG 4.15Å; Y399-L450 HydrophobicContact CD1-CD1 4.3Å; Y399-L450 HydrophobicContact CE1-CD1 4.18Å; I442-L450 HydrophobicContact CG2-CD1 4Å; I442-L450 HydrophobicContact CG2-CG 4.07Å; I442-L450 PolarHBondContact O-N 3.45Å; I442-L450 VanDerWaalsContact O-N 3.12Å; G448-L450 VanDerWaalsContact C-N 3.28Å; G448-L450 PolarHBondContact O-N 2.79Å; L450-M452 VanDerWaalsContact C-N 3.34Å; L450-M452 PolarHBondContact O-N 3.01Å; L450-L453 WeakPolarHBondContact O-CB 3.36Å; L450-L453 PolarHBondContact O-N 3.02Å; L450-D454 VanDerWaalsContact O-CG 3.29Å; L450-D454 PolarHBondContact O-N 3.06Å; L450-K568 HydrophobicContact CD1-CB 4.34Å
451	A	89.3	Confident	84.2	Confident	17 Å²	17	56.1 Å²	56.1	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38.8	177.4	0	0	0	0	0	111.8	H444 N445 G448 L453 D454 E455	H444-A451 WeakPolarHBondContact O-CB 3.39Å; N445-A451 VanDerWaalsContact O-CB 3.24Å; N445-A451 WeakPolarHBondContact O-CB 2.97Å; G448-A451 PolarHBondContact O-N 3.38Å; G448-A451 VanDerWaalsContact O-N 3.16Å; A451-L453 VanDerWaalsContact C-N 3.33Å; A451-D454 PolarHBondContact O-N 3.42Å; A451-E455 WeakPolarHBondContact O-CB 3.46Å; A451-E455 PolarHBondContact O-N 3.35Å
452	M	90.6	Very high	83	Confident	7 Å²	7	62.6 Å²	62.6	3%	0.034	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-36.9	175.3	-68.2	-58.7	106.9	0	0	112.1	Q446 G448 I449 L450 E455 E456 F468 K471 L472 L475	Q446-M452 WeakPolarHBondContact O-CE 3.34Å; G448-M452 WeakPolarHBondContact O-CG 3.21Å; G448-M452 PolarHBondContact O-N 3.41Å; I449-M452 PolarHBondContact O-N 3.34Å; L450-M452 VanDerWaalsContact C-N 3.34Å; L450-M452 PolarHBondContact O-N 3.01Å; M452-E455 WeakPolarHBondContact CE-OE2 3.44Å; M452-E455 PolarHBondContact O-N 3.12Å; M452-E456 WeakPolarHBondContact O-CG 3.48Å; M452-E456 PolarHBondContact O-N 3.27Å; M452-F468 HydrophobicContact CB-CE2 4.28Å; M452-K471 HydrophobicContact SD-CD 4.1Å; M452-K471 VanDerWaalsContact SD-CE 3.6Å; M452-K471 HydrophobicContact SD-CG 4.37Å; M452-L472 HydrophobicContact CB-CD2 4.15Å; M452-L472 HydrophobicContact CG-CD2 4.5Å; M452-L475 HydrophobicContact CE-CD1 4.42Å; M452-L475 HydrophobicContact CG-CD1 3.74Å; M452-L475 HydrophobicContact SD-CD1 3.26Å; M452-L475 WeakPolarHBondContact SD-CD1 3.47Å
453	L	88.6	Confident	81.9	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-44.2	175.6	-173.5	60.6	0	0	0	110.8	F392 I449 L450 A451 E456 C457 F468 F519 I520 N523	F392-L453 HydrophobicContact CD2-CD2 3.95Å; F392-L453 HydrophobicContact CE2-CD2 3.56Å; I449-L453 WeakPolarHBondContact O-CB 3.5Å; I449-L453 PolarHBondContact O-N 3.29Å; L450-L453 WeakPolarHBondContact O-CB 3.36Å; L450-L453 PolarHBondContact O-N 3.02Å; A451-L453 VanDerWaalsContact C-N 3.33Å; L453-E456 PolarHBondContact O-N 3.26Å; L453-C457 WeakPolarHBondContact O-CB 3.19Å; L453-C457 PolarHBondContact O-N 3.39Å; L453-C457 PolarHBondContact O-SG 2.9Å; L453-F468 HydrophobicContact CB-CD2 4.4Å; L453-F468 HydrophobicContact CB-CE2 3.67Å; L453-F468 HydrophobicContact CB-CZ 3.97Å; L453-F468 HydrophobicContact CD1-CD1 4.17Å; L453-F468 HydrophobicContact CD1-CD2 4Å; L453-F468 HydrophobicContact CD1-CE1 4Å; L453-F468 HydrophobicContact CD1-CE2 3.83Å; L453-F468 HydrophobicContact CD1-CG 4.16Å; L453-F468 HydrophobicContact CD1-CZ 3.81Å; L453-F468 HydrophobicContact CG-CE2 4.33Å; L453-F468 HydrophobicContact CG-CZ 4.35Å; L453-F519 HydrophobicContact CD1-CB 4.19Å; L453-F519 HydrophobicContact CD2-CD1 4.39Å; L453-I520 HydrophobicContact CD1-CG1 3.96Å; L453-N523 HydrophobicContact CD1-CB 4.44Å; L453-N523 HydrophobicContact CD2-CB 3.69Å; L453-N523 HydrophobicContact CG-CB 3.87Å
454	D	84	Confident	81.4	Confident	31 Å²	31	65.2 Å²	65.2	17%	0.166	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-42.6	174.8	-69	-19	0	0	0	111.7	L450 A451 C457 L458 N523 T562	L450-D454 VanDerWaalsContact O-CG 3.29Å; L450-D454 PolarHBondContact O-N 3.06Å; A451-D454 PolarHBondContact O-N 3.42Å; D454-C457 WeakPolarHBondContact O-CB 3.37Å; D454-C457 PolarHBondContact O-N 3.17Å; D454-L458 VanDerWaalsContact O-CD1 3.3Å; D454-L458 WeakPolarHBondContact O-CD1 3.44Å; D454-L458 WeakPolarHBondContact O-CG 3.25Å; D454-L458 PolarHBondContact O-N 2.89Å; D454-L458 VanDerWaalsContact O-N 3.08Å; D454-N523 PolarHBondContact OD1-ND2 2.99Å; D454-T562 VanDerWaalsContact OD1-CB 3.25Å; D454-T562 WeakPolarHBondContact OD1-CB 3.46Å; D454-T562 WeakPolarHBondContact OD1-CG2 3.28Å; D454-T562 PolarHBondContact OD1-OG1 3.32Å; D454-T562 PolarHBondContact OD2-OG1 2.66Å
455	E	84.5	Confident	81.1	Confident	95 Å²	95	62.7 Å²	62.7	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-65.1	-42.3	178.3	-163.8	-165.8	139.5	0	0	112.3	A451 M452 C457 L458 R459 K471	A451-E455 WeakPolarHBondContact O-CB 3.46Å; A451-E455 PolarHBondContact O-N 3.35Å; M452-E455 WeakPolarHBondContact CE-OE2 3.44Å; M452-E455 PolarHBondContact O-N 3.12Å; E455-C457 VanDerWaalsContact C-N 3.32Å; E455-C457 PolarHBondContact O-N 2.79Å; E455-L458 PolarHBondContact O-N 2.99Å; E455-L458 VanDerWaalsContact O-N 3.15Å; E455-R459 PolarHBondContact O-N 3.06Å; E455-R459 VanDerWaalsContact O-N 3.12Å; E455-K471 IonicContact OE1-NZ 3.75Å; E455-K471 PolarHBondContact OE1-NZ 3.34Å; E455-K471 IonicContact OE2-NZ 2.83Å; E455-K471 PolarHBondContact OE2-NZ 3.08Å; E455-K471 VanDerWaalsContact OE2-NZ 3.13Å
456	E	83.6	Confident	81.2	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-65.9	-35.4	175	-73.5	-59.8	121.8	0	0	111.8	M452 L453 L458 R459 V463 T467 F468 K471 I520	M452-E456 WeakPolarHBondContact O-CG 3.48Å; M452-E456 PolarHBondContact O-N 3.27Å; L453-E456 PolarHBondContact O-N 3.26Å; E456-L458 PolarHBondContact O-N 3.27Å; E456-R459 PolarHBondContact O-N 3.39Å; E456-R459 IonicContact OE1-CZ 3.84Å; E456-R459 IonicContact OE1-NH1 3.54Å; E456-R459 PolarHBondContact OE1-NH1 3.15Å; E456-R459 IonicContact OE2-NH1 3.29Å; E456-R459 PolarHBondContact OE2-NH1 3.3Å; E456-V463 VanDerWaalsContact O-CG1 3.3Å; E456-V463 WeakPolarHBondContact O-CG1 3.36Å; E456-T467 PolarHBondContact OE2-OG1 3.5Å; E456-F468 HydrophobicContact CG-CB 4.25Å; E456-F468 HydrophobicContact CG-CD2 4.25Å; E456-K471 HydrophobicContact CG-CD 3.99Å; E456-K471 WeakPolarHBondContact OE1-CD 3.43Å; E456-K471 IonicContact OE1-NZ 2.77Å; E456-K471 PolarHBondContact OE1-NZ 2.98Å; E456-I520 HydrophobicContact CB-CD1 4.43Å
457	C	76.6	Confident	81.4	Confident	20 Å²	20	55.4 Å²	55.4	14%	0.135	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-30	172.5	-68.1	0	0	0	0	112.8	L453 D454 E455 N523 N524	L453-C457 WeakPolarHBondContact O-CB 3.19Å; L453-C457 PolarHBondContact O-N 3.39Å; L453-C457 PolarHBondContact O-SG 2.9Å; D454-C457 WeakPolarHBondContact O-CB 3.37Å; D454-C457 PolarHBondContact O-N 3.17Å; E455-C457 VanDerWaalsContact C-N 3.32Å; E455-C457 PolarHBondContact O-N 2.79Å; C457-N523 PolarHBondContact SG-ND2 3.35Å; C457-N523 VanDerWaalsContact SG-ND2 3.39Å; C457-N524 WeakPolarHBondContact CB-OD1 3.42Å
458	L	70.7	Confident	81.6	Confident	103 Å²	103	47.1 Å²	47.1	54%	0.539	28%	0.282	S	S	.	.	H	α-helix	trans	-90.3	-10	-177.5	-69.6	162.4	0	0	0	113.5	D454 E455 E456	D454-L458 VanDerWaalsContact O-CD1 3.3Å; D454-L458 WeakPolarHBondContact O-CD1 3.44Å; D454-L458 WeakPolarHBondContact O-CG 3.25Å; D454-L458 PolarHBondContact O-N 2.89Å; D454-L458 VanDerWaalsContact O-N 3.08Å; E455-L458 PolarHBondContact O-N 2.99Å; E455-L458 VanDerWaalsContact O-N 3.15Å; E456-L458 PolarHBondContact O-N 3.27Å
459	R	72.4	Confident	81.6	Confident	136 Å²	136	47.6 Å²	47.6	51%	0.513	28%	0.284	S	S	.	.			trans	-70.6	129.4	-172.4	-167.1	-179.6	-152	167	3.4	111.9	E455 E456 G461 V463	E455-R459 PolarHBondContact O-N 3.06Å; E455-R459 VanDerWaalsContact O-N 3.12Å; E456-R459 PolarHBondContact O-N 3.39Å; E456-R459 IonicContact OE1-CZ 3.84Å; E456-R459 IonicContact OE1-NH1 3.54Å; E456-R459 PolarHBondContact OE1-NH1 3.15Å; E456-R459 IonicContact OE2-NH1 3.29Å; E456-R459 PolarHBondContact OE2-NH1 3.3Å; R459-G461 PolarHBondContact O-N 3.3Å; R459-V463 HydrophobicContact CB-CG2 4.28Å; R459-V463 WeakPolarHBondContact O-CG2 3.34Å
460	P	55.6	Low	81.3	Confident	127 Å²	127	50.3 Å²	50.3	83%	0.825	31%	0.307	S	S	*	.	S	Bend	trans	-72.7	123	170.1	27.6	-30.2	0	0	0	110.1
461	G	66.5	Low	81.2	Confident	66 Å²	66	51.6 Å²	51.6	68%	0.68	31%	0.312	S	S	*	.	S	Bend	trans	141.2	-171.6	178.8	0	0	0	0	0	113.3	R459 V463	R459-G461 PolarHBondContact O-N 3.3Å; G461-V463 PolarHBondContact O-N 2.82Å
462	V	68.3	Low	81.3	Confident	143 Å²	143	50.8 Å²	50.8	87%	0.867	31%	0.306	S	S	*	.			trans	-74.9	105.8	170.6	-178.1	0	0	0	0	108
463	V	72.2	Confident	81.3	Confident	46 Å²	46	51.3 Å²	51.3	28%	0.279	31%	0.308	S	S	.	.			trans	-95.9	135.3	178.4	-176.1	0	0	0	0	108.6	E456 R459 G461 I520	E456-V463 VanDerWaalsContact O-CG1 3.3Å; E456-V463 WeakPolarHBondContact O-CG1 3.36Å; R459-V463 HydrophobicContact CB-CG2 4.28Å; R459-V463 WeakPolarHBondContact O-CG2 3.34Å; G461-V463 PolarHBondContact O-N 2.82Å; V463-I520 HydrophobicContact CG1-CD1 3.44Å; V463-I520 VanDerWaalsContact CG1-CD1 3.44Å; V463-I520 HydrophobicContact CG1-CG2 4.07Å
464	S	81.9	Confident	81.3	Confident	44 Å²	44	58.6 Å²	58.6	31%	0.308	34%	0.342	S	S	.	.			trans	-145.7	158.1	176.1	63.6	0	0	0	0	111.5	S466 T467 F468 I520	S464-S466 PolarHBondContact O-N 3.28Å; S464-S466 VanDerWaalsContact O-N 3.13Å; S464-S466 PolarHBondContact OG-OG 2.94Å; S464-T467 PolarHBondContact N-OG1 2.9Å; S464-T467 PolarHBondContact O-N 2.89Å; S464-T467 PolarHBondContact O-OG1 3.45Å; S464-F468 PolarHBondContact O-N 3.13Å; S464-I520 WeakPolarHBondContact O-CD1 3.37Å
465	D	85.9	Confident	81.5	Confident	27 Å²	27	61 Å²	61	14%	0.144	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-24.9	-179.5	-56.6	-53.7	0	0	0	112.8	F468 L469 V516 N518 F519 I520	D465-F468 PolarHBondContact O-N 2.97Å; D465-L469 PolarHBondContact O-N 3.47Å; D465-V516 HydrophobicContact CB-CB 4.24Å; D465-V516 HydrophobicContact CB-CG2 3.96Å; D465-V516 VanDerWaalsContact CB-O 3.26Å; D465-V516 WeakPolarHBondContact CB-O 3.44Å; D465-N518 PolarHBondContact OD2-N 3Å; D465-F519 PolarHBondContact OD1-N 2.95Å; D465-F519 VanDerWaalsContact OD1-N 3.14Å; D465-I520 PolarHBondContact OD1-N 3.41Å; D465-I520 VanDerWaalsContact OD1-N 3.14Å
466	S	86.8	Confident	81.8	Confident	77 Å²	77	57.4 Å²	57.4	54%	0.538	34%	0.338	S	S	.	.	H	α-helix	trans	-71.3	-34.2	175.8	63.1	0	0	0	0	112.5	S464 F468 L469 A470	S464-S466 PolarHBondContact O-N 3.28Å; S464-S466 VanDerWaalsContact O-N 3.13Å; S464-S466 PolarHBondContact OG-OG 2.94Å; S466-F468 VanDerWaalsContact C-N 3.35Å; S466-L469 PolarHBondContact O-N 2.93Å; S466-A470 WeakPolarHBondContact O-CB 3.44Å; S466-A470 PolarHBondContact O-N 3.44Å
467	T	88.6	Confident	81.8	Confident	47 Å²	47	59.7 Å²	59.7	29%	0.288	35%	0.354	S	S	.	.	H	α-helix	trans	-68.9	-37.8	174.1	60.5	0	0	0	0	110.9	E456 S464 A470 K471	E456-T467 PolarHBondContact OE2-OG1 3.5Å; S464-T467 PolarHBondContact N-OG1 2.9Å; S464-T467 PolarHBondContact O-N 2.89Å; S464-T467 PolarHBondContact O-OG1 3.45Å; T467-A470 PolarHBondContact O-N 2.92Å; T467-K471 PolarHBondContact O-N 3Å; T467-K471 VanDerWaalsContact O-N 3.07Å
468	F	90.1	Very high	82.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-50.9	171.3	169.5	-114.7	0	0	0	111.9	I449 M452 L453 E456 S464 D465 S466 A470 K471 L472 V516 F519 I520	I449-F468 HydrophobicContact CG2-CZ 4.02Å; M452-F468 HydrophobicContact CB-CE2 4.28Å; L453-F468 HydrophobicContact CB-CD2 4.4Å; L453-F468 HydrophobicContact CB-CE2 3.67Å; L453-F468 HydrophobicContact CB-CZ 3.97Å; L453-F468 HydrophobicContact CD1-CD1 4.17Å; L453-F468 HydrophobicContact CD1-CD2 4Å; L453-F468 HydrophobicContact CD1-CE1 4Å; L453-F468 HydrophobicContact CD1-CE2 3.83Å; L453-F468 HydrophobicContact CD1-CG 4.16Å; L453-F468 HydrophobicContact CD1-CZ 3.81Å; L453-F468 HydrophobicContact CG-CE2 4.33Å; L453-F468 HydrophobicContact CG-CZ 4.35Å; E456-F468 HydrophobicContact CG-CB 4.25Å; E456-F468 HydrophobicContact CG-CD2 4.25Å; S464-F468 PolarHBondContact O-N 3.13Å; D465-F468 PolarHBondContact O-N 2.97Å; S466-F468 VanDerWaalsContact C-N 3.35Å; F468-A470 VanDerWaalsContact C-N 3.33Å; F468-A470 PolarHBondContact O-N 3.32Å; F468-K471 WeakPolarHBondContact O-CB 3.43Å; F468-K471 PolarHBondContact O-N 2.79Å; F468-K471 VanDerWaalsContact O-N 3.15Å; F468-L472 HydrophobicContact CD1-CD1 4.33Å; F468-L472 HydrophobicContact CD2-CG 4.33Å; F468-L472 HydrophobicContact CE1-CD1 3.7Å; F468-L472 HydrophobicContact CE1-CG 4.38Å; F468-L472 HydrophobicContact CE2-CD1 4.04Å; F468-L472 HydrophobicContact CE2-CD2 3.82Å; F468-L472 HydrophobicContact CE2-CG 3.92Å; F468-L472 HydrophobicContact CZ-CD1 3.55Å; F468-L472 HydrophobicContact CZ-CD2 4.05Å; F468-L472 HydrophobicContact CZ-CG 3.97Å; F468-L472 WeakPolarHBondContact O-CG 3.31Å; F468-L472 PolarHBondContact O-N 3.05Å; F468-V516 HydrophobicContact CD1-CG1 4.46Å; F468-F519 HydrophobicContact CE1-CB 4.43Å; F468-F519 AromaticContact CE1-CD1 3.91Å; F468-F519 HydrophobicContact CE1-CD1 3.91Å; F468-F519 HydrophobicContact CE1-CG 4.48Å; F468-I520 HydrophobicContact CB-CD1 4.01Å; F468-I520 HydrophobicContact CB-CG1 4.46Å
469	L	91.4	Very high	83.1	Confident	10 Å²	10	65.8 Å²	65.8	5%	0.052	38%	0.375	C	S	.	.	H	α-helix	trans	-60.6	-41.1	177.9	-178.5	59.1	0	0	0	112.4	D465 S466 K471 L472 N473 L500 F503 V516	D465-L469 PolarHBondContact O-N 3.47Å; S466-L469 PolarHBondContact O-N 2.93Å; L469-K471 VanDerWaalsContact C-N 3.3Å; L469-K471 PolarHBondContact O-N 3.45Å; L469-L472 PolarHBondContact O-N 2.99Å; L469-N473 PolarHBondContact O-N 3.27Å; L469-N473 PolarHBondContact O-ND2 3.08Å; L469-N473 PolarHBondContact O-OD1 3.49Å; L469-L500 WeakPolarHBondContact CD2-O 3.47Å; L469-F503 HydrophobicContact CD1-CB 3.89Å; L469-F503 HydrophobicContact CD1-CD1 4.37Å; L469-V516 HydrophobicContact CB-CG1 4.17Å; L469-V516 HydrophobicContact CB-CG2 4.24Å; L469-V516 HydrophobicContact CD1-CG1 4.08Å; L469-V516 HydrophobicContact CD2-CG1 4.47Å; L469-V516 HydrophobicContact CD2-CG2 4.24Å; L469-V516 HydrophobicContact CG-CG1 4.46Å
470	A	88.9	Confident	83.8	Confident	57 Å²	57	62.6 Å²	62.6	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-40.6	176.3	0	0	0	0	0	112	S466 T467 F468 N473 Q474	S466-A470 WeakPolarHBondContact O-CB 3.44Å; S466-A470 PolarHBondContact O-N 3.44Å; T467-A470 PolarHBondContact O-N 2.92Å; F468-A470 VanDerWaalsContact C-N 3.33Å; F468-A470 PolarHBondContact O-N 3.32Å; A470-N473 PolarHBondContact O-N 3.46Å; A470-Q474 PolarHBondContact O-N 3.24Å
471	K	89.6	Confident	85.5	Confident	29 Å²	29	58.4 Å²	58.4	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-42.6	176.2	-168.5	174.4	-167.8	177.2	0	112.3	M452 E455 E456 T467 F468 L469 N473 Q474 L475	M452-K471 HydrophobicContact SD-CD 4.1Å; M452-K471 VanDerWaalsContact SD-CE 3.6Å; M452-K471 HydrophobicContact SD-CG 4.37Å; E455-K471 IonicContact OE1-NZ 3.75Å; E455-K471 PolarHBondContact OE1-NZ 3.34Å; E455-K471 IonicContact OE2-NZ 2.83Å; E455-K471 PolarHBondContact OE2-NZ 3.08Å; E455-K471 VanDerWaalsContact OE2-NZ 3.13Å; E456-K471 HydrophobicContact CG-CD 3.99Å; E456-K471 WeakPolarHBondContact OE1-CD 3.43Å; E456-K471 IonicContact OE1-NZ 2.77Å; E456-K471 PolarHBondContact OE1-NZ 2.98Å; T467-K471 PolarHBondContact O-N 3Å; T467-K471 VanDerWaalsContact O-N 3.07Å; F468-K471 WeakPolarHBondContact O-CB 3.43Å; F468-K471 PolarHBondContact O-N 2.79Å; F468-K471 VanDerWaalsContact O-N 3.15Å; L469-K471 VanDerWaalsContact C-N 3.3Å; L469-K471 PolarHBondContact O-N 3.45Å; K471-N473 VanDerWaalsContact C-N 3.33Å; K471-N473 PolarHBondContact O-N 3.48Å; K471-Q474 PolarHBondContact O-N 3.47Å; K471-L475 HydrophobicContact CG-CD1 4.21Å; K471-L475 PolarHBondContact O-N 2.96Å; K471-L475 VanDerWaalsContact O-N 3.1Å
472	L	91.4	Very high	86.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-45.7	173.2	-64.1	-175.3	0	0	0	111.2	I449 M452 F468 L469 Q474 L475 F476 Y482 F503	I449-L472 HydrophobicContact CB-CD2 4.39Å; I449-L472 HydrophobicContact CG1-CD2 4.15Å; I449-L472 HydrophobicContact CG2-CD1 4.34Å; I449-L472 HydrophobicContact CG2-CD2 4.14Å; M452-L472 HydrophobicContact CB-CD2 4.15Å; M452-L472 HydrophobicContact CG-CD2 4.5Å; F468-L472 HydrophobicContact CD1-CD1 4.33Å; F468-L472 HydrophobicContact CD2-CG 4.33Å; F468-L472 HydrophobicContact CE1-CD1 3.7Å; F468-L472 HydrophobicContact CE1-CG 4.38Å; F468-L472 HydrophobicContact CE2-CD1 4.04Å; F468-L472 HydrophobicContact CE2-CD2 3.82Å; F468-L472 HydrophobicContact CE2-CG 3.92Å; F468-L472 HydrophobicContact CZ-CD1 3.55Å; F468-L472 HydrophobicContact CZ-CD2 4.05Å; F468-L472 HydrophobicContact CZ-CG 3.97Å; F468-L472 WeakPolarHBondContact O-CG 3.31Å; F468-L472 PolarHBondContact O-N 3.05Å; L469-L472 PolarHBondContact O-N 2.99Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.18Å; L472-L475 PolarHBondContact O-N 3.4Å; L472-F476 HydrophobicContact CB-CD2 4.29Å; L472-F476 HydrophobicContact CD2-CD2 4.09Å; L472-F476 HydrophobicContact CD2-CE2 3.72Å; L472-F476 WeakPolarHBondContact O-CB 3.45Å; L472-F476 WeakPolarHBondContact O-CD2 3.27Å; L472-F476 PolarHBondContact O-N 3.47Å; L472-Y482 HydrophobicContact CB-CE2 4.18Å; L472-Y482 VanDerWaalsContact CB-OH 3.28Å; L472-Y482 WeakPolarHBondContact CB-OH 3.36Å; L472-Y482 HydrophobicContact CD1-CE2 4.48Å; L472-F503 HydrophobicContact CD1-CD1 4.15Å; L472-F503 HydrophobicContact CD1-CE1 4.37Å; L472-F503 HydrophobicContact CD1-CG 4.41Å
473	N	90.1	Very high	87.8	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-38.9	178.9	-67.2	-19.4	0	0	0	112.1	L469 A470 K471 S477 Y482 S484	L469-N473 PolarHBondContact O-N 3.27Å; L469-N473 PolarHBondContact O-ND2 3.08Å; L469-N473 PolarHBondContact O-OD1 3.49Å; A470-N473 PolarHBondContact O-N 3.46Å; K471-N473 VanDerWaalsContact C-N 3.33Å; K471-N473 PolarHBondContact O-N 3.48Å; N473-S477 WeakPolarHBondContact O-CB 3.39Å; N473-S477 PolarHBondContact O-N 2.86Å; N473-Y482 PolarHBondContact OD1-OH 3.45Å; N473-S484 WeakPolarHBondContact OD1-CB 3.46Å; N473-S484 PolarHBondContact OD1-OG 3.43Å
474	Q	89.1	Confident	88.6	Confident	154 Å²	154	47.7 Å²	47.7	72%	0.72	27%	0.273	S	S	*	.	H	α-helix	trans	-64.5	-47.1	176.7	-173.9	-178.6	2.9	0	0	111.8	A470 K471 L472	A470-Q474 PolarHBondContact O-N 3.24Å; K471-Q474 PolarHBondContact O-N 3.47Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.18Å
475	L	88.1	Confident	88.6	Confident	83 Å²	83	48.5 Å²	48.5	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-76.3	-40.2	-174.1	-71.4	170.1	0	0	0	113.4	M452 K471 L472	M452-L475 HydrophobicContact CE-CD1 4.42Å; M452-L475 HydrophobicContact CG-CD1 3.74Å; M452-L475 HydrophobicContact SD-CD1 3.26Å; M452-L475 WeakPolarHBondContact SD-CD1 3.47Å; K471-L475 HydrophobicContact CG-CD1 4.21Å; K471-L475 PolarHBondContact O-N 2.96Å; K471-L475 VanDerWaalsContact O-N 3.1Å; L472-L475 PolarHBondContact O-N 3.4Å
476	F	89.9	Confident	88.4	Confident	18 Å²	18	51.6 Å²	51.6	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-107.2	11.2	-170.5	-55.5	-61.7	0	0	0	114.2	L441 R447 I449 L472 K478 H479 Y482	L441-F476 HydrophobicContact CD1-CB 4.49Å; L441-F476 HydrophobicContact CD1-CD1 3.33Å; L441-F476 HydrophobicContact CD1-CD2 4.28Å; L441-F476 HydrophobicContact CD1-CE1 3.4Å; L441-F476 VanDerWaalsContact CD1-CE1 3.4Å; L441-F476 HydrophobicContact CD1-CE2 4.34Å; L441-F476 HydrophobicContact CD1-CG 3.79Å; L441-F476 HydrophobicContact CD1-CZ 3.9Å; R447-F476 VanDerWaalsContact O-CE1 3.25Å; R447-F476 WeakPolarHBondContact O-CE1 3.13Å; R447-F476 WeakPolarHBondContact O-CZ 3.3Å; I449-F476 HydrophobicContact CG1-CD2 4.47Å; I449-F476 HydrophobicContact CG1-CE2 3.81Å; I449-F476 HydrophobicContact CG1-CZ 4.23Å; L472-F476 HydrophobicContact CB-CD2 4.29Å; L472-F476 HydrophobicContact CD2-CD2 4.09Å; L472-F476 HydrophobicContact CD2-CE2 3.72Å; L472-F476 WeakPolarHBondContact O-CB 3.45Å; L472-F476 WeakPolarHBondContact O-CD2 3.27Å; L472-F476 PolarHBondContact O-N 3.47Å; F476-K478 PolarHBondContact O-N 2.92Å; F476-H479 HydrophobicContact CB-CB 4.19Å; F476-H479 WeakPolarHBondContact O-CB 3.45Å; F476-H479 PolarHBondContact O-N 2.88Å; F476-Y482 HydrophobicContact CB-CD1 3.59Å; F476-Y482 HydrophobicContact CB-CD2 4.04Å; F476-Y482 HydrophobicContact CB-CE1 4.13Å; F476-Y482 HydrophobicContact CB-CG 3.55Å; F476-Y482 HydrophobicContact CD2-CD2 4.46Å; F476-Y482 HydrophobicContact CG-CG 4.46Å; F476-Y482 WeakPolarHBondContact O-CD1 3.36Å
477	S	84	Confident	88.1	Confident	49 Å²	49	48.2 Å²	48.2	34%	0.343	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-30.1	179.2	51.4	0	0	0	0	115.4	N473	N473-S477 WeakPolarHBondContact O-CB 3.39Å; N473-S477 PolarHBondContact O-N 2.86Å
478	K	85.4	Confident	87.5	Confident	198 Å²	198	46.3 Å²	46.3	86%	0.861	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.8	-180	-62.7	-176.9	179.7	-179.4	0	113.8	F476	F476-K478 PolarHBondContact O-N 2.92Å
479	H	89.1	Confident	86.8	Confident	53 Å²	53	49.9 Å²	49.9	25%	0.245	27%	0.274	C	S	.	.			trans	-80.6	122.9	-175.2	-167.7	-84.3	0	0	0	110.4	F476 H481 Y482	F476-H479 HydrophobicContact CB-CB 4.19Å; F476-H479 WeakPolarHBondContact O-CB 3.45Å; F476-H479 PolarHBondContact O-N 2.88Å; H479-H481 PolarHBondContact ND1-N 2.86Å; H479-H481 PolarHBondContact O-N 3.02Å; H479-Y482 PolarHBondContact O-N 3.43Å
480	G	86.7	Confident	85.8	Confident	70 Å²	70	53.4 Å²	53.4	72%	0.722	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.9	-172.7	0	0	0	0	0	115.9
481	H	91	Very high	85	Confident	39 Å²	39	55.9 Å²	55.9	18%	0.181	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	5.3	178.1	-66.7	-93.7	0	0	0	114.4	F433 I438 L441 H479 I505 C506	F433-H481 AromaticContact CE2-CE1 3.61Å; F433-H481 AromaticContact CZ-CE1 3.48Å; F433-H481 VanDerWaalsContact CZ-CE1 3.48Å; F433-H481 WeakPolarHBondContact CZ-CE1 3.36Å; I438-H481 HydrophobicContact CG1-CB 4.49Å; L441-H481 HydrophobicContact CD2-CB 4.43Å; H479-H481 PolarHBondContact ND1-N 2.86Å; H479-H481 PolarHBondContact O-N 3.02Å; H481-I505 WeakPolarHBondContact O-CA 3.46Å; H481-C506 HydrophobicContact CB-CB 4.24Å; H481-C506 PolarHBondContact ND1-O 3.4Å; H481-C506 PolarHBondContact O-N 2.84Å
482	Y	93.1	Very high	84.4	Confident	8 Å²	8	64.7 Å²	64.7	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.3	178.5	179.7	-91.6	0	0	0	110.6	L472 N473 F476 H479 T487 F503	L472-Y482 HydrophobicContact CB-CE2 4.18Å; L472-Y482 VanDerWaalsContact CB-OH 3.28Å; L472-Y482 WeakPolarHBondContact CB-OH 3.36Å; L472-Y482 HydrophobicContact CD1-CE2 4.48Å; N473-Y482 PolarHBondContact OD1-OH 3.45Å; F476-Y482 HydrophobicContact CB-CD1 3.59Å; F476-Y482 HydrophobicContact CB-CD2 4.04Å; F476-Y482 HydrophobicContact CB-CE1 4.13Å; F476-Y482 HydrophobicContact CB-CG 3.55Å; F476-Y482 HydrophobicContact CD2-CD2 4.46Å; F476-Y482 HydrophobicContact CG-CG 4.46Å; F476-Y482 WeakPolarHBondContact O-CD1 3.36Å; H479-Y482 PolarHBondContact O-N 3.43Å; Y482-T487 HydrophobicContact CE1-CG2 4.33Å; Y482-F503 HydrophobicContact CE2-CB 3.75Å; Y482-F503 HydrophobicContact CE2-CD2 4.02Å; Y482-F503 HydrophobicContact CE2-CG 4.12Å
483	E	90.6	Very high	83.4	Confident	21 Å²	21	69.9 Å²	69.9	10%	0.098	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.3	177	-64.5	176.7	-173.1	0	0	109.7	Q488 M498 F503 R504 K511	E483-Q488 HydrophobicContact CB-CG 4.35Å; E483-Q488 PolarHBondContact OE2-NE2 2.8Å; E483-M498 HydrophobicContact CB-CE 4.06Å; E483-F503 CarbonylContact O-C 3.46Å; E483-R504 HydrophobicContact CB-CB 4.11Å; E483-R504 PolarHBondContact N-O 2.85Å; E483-R504 PolarHBondContact O-N 2.9Å; E483-R504 VanDerWaalsContact OE2-CD 3.24Å; E483-R504 WeakPolarHBondContact OE2-CD 3.33Å; E483-R504 IonicContact OE2-NH1 3.28Å; E483-R504 PolarHBondContact OE2-NH1 2.82Å; E483-K511 WeakPolarHBondContact OE1-CE 3.42Å; E483-K511 IonicContact OE1-NZ 3.13Å; E483-K511 PolarHBondContact OE1-NZ 2.83Å; E483-K511 IonicContact OE2-NZ 3.8Å; E483-K511 PolarHBondContact OE2-NZ 2.78Å
484	S	88.2	Confident	82.3	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.007	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.3	171.5	70.8	0	0	0	0	107.7	N473 V486 T487 Q488 M498	N473-S484 WeakPolarHBondContact OD1-CB 3.46Å; N473-S484 PolarHBondContact OD1-OG 3.43Å; S484-V486 PolarHBondContact O-N 3.44Å; S484-T487 PolarHBondContact N-OG1 2.98Å; S484-T487 PolarHBondContact O-N 3.37Å; S484-T487 VanDerWaalsContact O-N 3.15Å; S484-T487 PolarHBondContact O-OG1 3.41Å; S484-T487 VanDerWaalsContact O-OG1 3.11Å; S484-T487 WeakPolarHBondContact OG-CB 3.41Å; S484-T487 VanDerWaalsContact OG-CG2 3.28Å; S484-T487 WeakPolarHBondContact OG-CG2 3.41Å; S484-T487 PolarHBondContact OG-N 2.7Å; S484-T487 PolarHBondContact OG-OG1 2.92Å; S484-Q488 WeakPolarHBondContact O-CB 2.87Å; S484-Q488 PolarHBondContact O-N 2.86Å; S484-M498 VanDerWaalsContact CA-SD 3.52Å
485	K	83.1	Confident	81.5	Confident	60 Å²	60	72.3 Å²	72.3	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-36.4	177.4	-162.6	158.1	-168	154.5	0	112.3	N489 M498 L500	K485-N489 WeakPolarHBondContact O-CB 3.36Å; K485-N489 PolarHBondContact O-N 2.87Å; K485-N489 PolarHBondContact O-ND2 3.42Å; K485-N489 PolarHBondContact O-OD1 2.82Å; K485-M498 WeakPolarHBondContact CD-O 3.12Å; K485-M498 PolarHBondContact N-SD 2.96Å; K485-M498 VanDerWaalsContact N-SD 3.38Å; K485-M498 PolarHBondContact NZ-O 3.39Å; K485-L500 HydrophobicContact CD-CD2 3.89Å; K485-L500 HydrophobicContact CD-CG 4.15Å
486	V	81.7	Confident	80.7	Confident	92 Å²	92	76.6 Å²	76.6	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-68	-44.2	177.7	179.6	0	0	0	0	111.4	S484 A490	S484-V486 PolarHBondContact O-N 3.44Å; V486-A490 WeakPolarHBondContact O-CB 2.97Å; V486-A490 PolarHBondContact O-N 2.99Å; V486-A490 VanDerWaalsContact O-N 3.08Å
487	T	79.8	Confident	80	Confident	7 Å²	7	80.7 Å²	80.7	4%	0.043	41%	0.413	C	S	.	.	H	α-helix	trans	-74.4	-37.5	-177.5	57.8	0	0	0	0	112.2	Y482 S484 A490 Q491	Y482-T487 HydrophobicContact CE1-CG2 4.33Å; S484-T487 PolarHBondContact N-OG1 2.98Å; S484-T487 PolarHBondContact O-N 3.37Å; S484-T487 VanDerWaalsContact O-N 3.15Å; S484-T487 PolarHBondContact O-OG1 3.41Å; S484-T487 VanDerWaalsContact O-OG1 3.11Å; S484-T487 WeakPolarHBondContact OG-CB 3.41Å; S484-T487 VanDerWaalsContact OG-CG2 3.28Å; S484-T487 WeakPolarHBondContact OG-CG2 3.41Å; S484-T487 PolarHBondContact OG-N 2.7Å; S484-T487 PolarHBondContact OG-OG1 2.92Å; T487-A490 WeakPolarHBondContact O-CB 3.18Å; T487-A490 PolarHBondContact O-N 2.92Å; T487-Q491 WeakPolarHBondContact O-CG 3.3Å; T487-Q491 PolarHBondContact O-N 3.48Å; T487-Q491 VanDerWaalsContact O-N 3.09Å
488	Q	76.6	Confident	79.7	Confident	6 Å²	6	78.5 Å²	78.5	3%	0.028	40%	0.397	C	S	.	.	H	α-helix	trans	-68.5	-40.9	174.7	-74.6	-165.1	-12.6	0	0	112.5	E483 S484 A490 Q491 R492 Q493	E483-Q488 HydrophobicContact CB-CG 4.35Å; E483-Q488 PolarHBondContact OE2-NE2 2.8Å; S484-Q488 WeakPolarHBondContact O-CB 2.87Å; S484-Q488 PolarHBondContact O-N 2.86Å; Q488-A490 VanDerWaalsContact C-N 3.28Å; Q488-A490 PolarHBondContact O-N 2.86Å; Q488-Q491 CarbonylContact O-C 3.44Å; Q488-Q491 WeakPolarHBondContact O-CA 3.31Å; Q488-Q491 PolarHBondContact O-N 3.33Å; Q488-R492 PolarHBondContact O-N 3.44Å; Q488-Q493 CarbonylContact C-O 3.6Å; Q488-Q493 PolarHBondContact O-N 3.16Å
489	N	74.7	Confident	79.4	Confident	76 Å²	76	70.6 Å²	70.6	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-40.4	172.7	-73.8	-10.9	0	0	0	111.3	K485 Q491 R492	K485-N489 WeakPolarHBondContact O-CB 3.36Å; K485-N489 PolarHBondContact O-N 2.87Å; K485-N489 PolarHBondContact O-ND2 3.42Å; K485-N489 PolarHBondContact O-OD1 2.82Å; N489-Q491 PolarHBondContact O-N 3.27Å; N489-R492 PolarHBondContact O-N 2.89Å; N489-R492 VanDerWaalsContact O-N 3.07Å
490	A	70.9	Confident	79	Confident	83 Å²	83	74.7 Å²	74.7	69%	0.686	40%	0.395	S	S	*	.	H	α-helix	trans	-63.2	-28.8	174.1	0	0	0	0	0	112.7	V486 T487 Q488	V486-A490 WeakPolarHBondContact O-CB 2.97Å; V486-A490 PolarHBondContact O-N 2.99Å; V486-A490 VanDerWaalsContact O-N 3.08Å; T487-A490 WeakPolarHBondContact O-CB 3.18Å; T487-A490 PolarHBondContact O-N 2.92Å; Q488-A490 VanDerWaalsContact C-N 3.28Å; Q488-A490 PolarHBondContact O-N 2.86Å
491	Q	72.6	Confident	79.1	Confident	109 Å²	109	74.1 Å²	74.1	51%	0.509	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5.4	174.8	-68.3	174.4	-10.8	0	0	113.8	T487 Q488 N489 Q493	T487-Q491 WeakPolarHBondContact O-CG 3.3Å; T487-Q491 PolarHBondContact O-N 3.48Å; T487-Q491 VanDerWaalsContact O-N 3.09Å; Q488-Q491 CarbonylContact O-C 3.44Å; Q488-Q491 WeakPolarHBondContact O-CA 3.31Å; Q488-Q491 PolarHBondContact O-N 3.33Å; N489-Q491 PolarHBondContact O-N 3.27Å; Q491-Q493 PolarHBondContact O-N 2.9Å
492	R	75.3	Confident	79	Confident	215 Å²	215	73 Å²	73	81%	0.811	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	27.1	-176.1	-56.2	-178.7	179.8	175.7	-0.4	114.3	Q488 N489	Q488-R492 PolarHBondContact O-N 3.44Å; N489-R492 PolarHBondContact O-N 2.89Å; N489-R492 VanDerWaalsContact O-N 3.07Å
493	Q	72.3	Confident	79	Confident	108 Å²	108	72.7 Å²	72.7	51%	0.505	38%	0.375	S	S	.	.			trans	-100.1	111.5	172.4	-68.5	-176.5	-6.8	0	0	108.6	Q488 Q491 D495	Q488-Q493 CarbonylContact C-O 3.6Å; Q488-Q493 PolarHBondContact O-N 3.16Å; Q491-Q493 PolarHBondContact O-N 2.9Å; Q493-D495 PolarHBondContact O-N 2.81Å
494	Y	67	Low	79.1	Confident	176 Å²	176	72.3 Å²	72.3	69%	0.69	37%	0.373	S	S	*	.			trans	-93	93.7	-180	-63	-77.5	0	0	0	110.1
495	D	71.2	Confident	79.4	Confident	46 Å²	46	72.2 Å²	72.2	25%	0.246	37%	0.372	C	S	.	.			trans	-95.8	109.8	170.9	-167.4	-10.3	0	0	0	110.5	Q493 T497 R504	Q493-D495 PolarHBondContact O-N 2.81Å; D495-T497 PolarHBondContact O-N 2.81Å; D495-T497 WeakPolarHBondContact OD1-CB 3.26Å; D495-T497 WeakPolarHBondContact OD1-CG2 3.26Å; D495-T497 PolarHBondContact OD1-N 2.85Å; D495-T497 PolarHBondContact OD1-OG1 3.13Å; D495-T497 PolarHBondContact OD2-OG1 2.92Å; D495-T497 VanDerWaalsContact OD2-OG1 3.08Å; D495-R504 IonicContact OD2-CZ 3.45Å; D495-R504 VanDerWaalsContact OD2-CZ 3.31Å; D495-R504 IonicContact OD2-NH1 2.68Å; D495-R504 PolarHBondContact OD2-NH1 3.43Å; D495-R504 IonicContact OD2-NH2 3.47Å; D495-R504 PolarHBondContact OD2-NH2 3.5Å
496	H	71.8	Confident	79.8	Confident	174 Å²	174	70.3 Å²	70.3	81%	0.806	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13	178.5	-67.6	-73.6	0	0	0	113.3	M498	H496-M498 VanDerWaalsContact C-N 3.29Å; H496-M498 PolarHBondContact O-N 3.37Å
497	T	74.7	Confident	80.2	Confident	104 Å²	104	66.4 Å²	66.4	64%	0.638	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	-177.9	66.8	0	0	0	0	113.8	D495 R504	D495-T497 PolarHBondContact O-N 2.81Å; D495-T497 WeakPolarHBondContact OD1-CB 3.26Å; D495-T497 WeakPolarHBondContact OD1-CG2 3.26Å; D495-T497 PolarHBondContact OD1-N 2.85Å; D495-T497 PolarHBondContact OD1-OG1 3.13Å; D495-T497 PolarHBondContact OD2-OG1 2.92Å; D495-T497 VanDerWaalsContact OD2-OG1 3.08Å; T497-R504 PolarHBondContact OG1-NH2 3.42Å
498	M	76.9	Confident	80.5	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.015	35%	0.349	C	S	.	.			trans	-105.6	127.6	-175.8	-160.5	-178.2	-61.4	0	0	112.9	E483 S484 K485 H496 C502 R504 T513	E483-M498 HydrophobicContact CB-CE 4.06Å; S484-M498 VanDerWaalsContact CA-SD 3.52Å; K485-M498 WeakPolarHBondContact CD-O 3.12Å; K485-M498 PolarHBondContact N-SD 2.96Å; K485-M498 VanDerWaalsContact N-SD 3.38Å; K485-M498 PolarHBondContact NZ-O 3.39Å; H496-M498 VanDerWaalsContact C-N 3.29Å; H496-M498 PolarHBondContact O-N 3.37Å; M498-C502 HydrophobicContact CG-CB 4.31Å; M498-R504 HydrophobicContact CE-CB 3.67Å; M498-R504 HydrophobicContact CE-CG 4.35Å; M498-T513 HydrophobicContact CG-CG2 4.26Å
499	G	80.5	Confident	80.9	Confident	31 Å²	31	68.3 Å²	68.3	32%	0.32	35%	0.35	S	S	.	.			trans	-73	163.3	174.2	0	0	0	0	0	113.8	S501	G499-S501 VanDerWaalsContact C-N 3.35Å
500	L	81.1	Confident	81.5	Confident	139 Å²	139	66.1 Å²	66.1	73%	0.728	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-31	177.9	-76.3	161.6	0	0	0	113.1	L469 K485	L469-L500 WeakPolarHBondContact CD2-O 3.47Å; K485-L500 HydrophobicContact CD-CD2 3.89Å; K485-L500 HydrophobicContact CD-CG 4.15Å
501	S	87.1	Confident	82.3	Confident	58 Å²	58	67.6 Å²	67.6	41%	0.406	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	29	-179.9	-57.7	0	0	0	0	112.4	G499 N515 V516	G499-S501 VanDerWaalsContact C-N 3.35Å; S501-N515 PolarHBondContact O-OD1 2.86Å; S501-V516 WeakPolarHBondContact O-CG2 3.39Å; S501-V516 PolarHBondContact O-N 3.35Å
502	C	90.8	Very high	83.2	Confident	17 Å²	17	62.4 Å²	62.4	12%	0.115	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.6	-177.7	-56.7	0	0	0	0	111.6	M498 T513 Y514	M498-C502 HydrophobicContact CG-CB 4.31Å; C502-T513 HydrophobicContact CB-CG2 3.69Å; C502-Y514 WeakPolarHBondContact CA-O 3.49Å; C502-Y514 WeakPolarHBondContact CB-O 3.48Å
503	F	92.9	Very high	84	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	161.5	161.8	69.2	-85.8	0	0	0	109	F395 I449 L469 L472 Y482 E483 I505 Y514 V516 F519	F395-F503 HydrophobicContact CD2-CE2 4.3Å; F395-F503 HydrophobicContact CD2-CZ 4.14Å; F395-F503 HydrophobicContact CE2-CE2 4.25Å; F395-F503 HydrophobicContact CE2-CZ 4.29Å; I449-F503 HydrophobicContact CD1-CE2 4.47Å; L469-F503 HydrophobicContact CD1-CB 3.89Å; L469-F503 HydrophobicContact CD1-CD1 4.37Å; L472-F503 HydrophobicContact CD1-CD1 4.15Å; L472-F503 HydrophobicContact CD1-CE1 4.37Å; L472-F503 HydrophobicContact CD1-CG 4.41Å; Y482-F503 HydrophobicContact CE2-CB 3.75Å; Y482-F503 HydrophobicContact CE2-CD2 4.02Å; Y482-F503 HydrophobicContact CE2-CG 4.12Å; E483-F503 CarbonylContact O-C 3.46Å; F503-I505 HydrophobicContact CD2-CD1 4.33Å; F503-I505 HydrophobicContact CD2-CG1 4.04Å; F503-I505 HydrophobicContact CE2-CD1 3.78Å; F503-I505 HydrophobicContact CE2-CG1 3.96Å; F503-Y514 HydrophobicContact CD2-CD2 4.17Å; F503-Y514 AromaticContact CE2-CD2 3.54Å; F503-Y514 HydrophobicContact CE2-CD2 3.54Å; F503-Y514 HydrophobicContact CE2-CE2 4.38Å; F503-Y514 HydrophobicContact CE2-CG 4.09Å; F503-Y514 AromaticContact CZ-CD2 3.91Å; F503-Y514 HydrophobicContact CZ-CD2 3.91Å; F503-Y514 AromaticContact CZ-CG 3.98Å; F503-Y514 HydrophobicContact CZ-CG 3.98Å; F503-Y514 PolarHBondContact N-O 3.05Å; F503-Y514 PolarHBondContact O-N 2.98Å; F503-V516 HydrophobicContact CD1-CG1 3.5Å; F503-V516 VanDerWaalsContact CD1-CG1 3.5Å; F503-V516 HydrophobicContact CE1-CG1 3.77Å; F503-F519 AromaticContact CE1-CE1 3.93Å; F503-F519 HydrophobicContact CE1-CE1 3.93Å; F503-F519 HydrophobicContact CE1-CZ 4.14Å; F503-F519 AromaticContact CZ-CE1 3.99Å; F503-F519 HydrophobicContact CZ-CE1 3.99Å; F503-F519 HydrophobicContact CZ-CZ 4.26Å
504	R	92.4	Very high	84.9	Confident	13 Å²	13	48.7 Å²	48.7	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.8	-177.7	175.7	-169.7	-74	171.1	2.5	109.9	E483 D495 T497 M498 K511 V512 T513	E483-R504 HydrophobicContact CB-CB 4.11Å; E483-R504 PolarHBondContact N-O 2.85Å; E483-R504 PolarHBondContact O-N 2.9Å; E483-R504 VanDerWaalsContact OE2-CD 3.24Å; E483-R504 WeakPolarHBondContact OE2-CD 3.33Å; E483-R504 IonicContact OE2-NH1 3.28Å; E483-R504 PolarHBondContact OE2-NH1 2.82Å; D495-R504 IonicContact OD2-CZ 3.45Å; D495-R504 VanDerWaalsContact OD2-CZ 3.31Å; D495-R504 IonicContact OD2-NH1 2.68Å; D495-R504 PolarHBondContact OD2-NH1 3.43Å; D495-R504 IonicContact OD2-NH2 3.47Å; D495-R504 PolarHBondContact OD2-NH2 3.5Å; T497-R504 PolarHBondContact OG1-NH2 3.42Å; M498-R504 HydrophobicContact CE-CB 3.67Å; M498-R504 HydrophobicContact CE-CG 4.35Å; R504-K511 HydrophobicContact CG-CB 4.27Å; R504-V512 CarbonylContact C-O 3.57Å; R504-V512 WeakPolarHBondContact CA-O 3.42Å; R504-V512 VanDerWaalsContact CG-O 3.31Å; R504-V512 WeakPolarHBondContact CG-O 3.45Å; R504-T513 PolarHBondContact NE-OG1 3.36Å
505	I	93.9	Very high	86.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134	176.1	-60.7	177.8	0	0	0	108.9	F395 I438 L441 I442 I449 H481 F503 H507 V512 Y514	F395-I505 HydrophobicContact CD2-CD1 4.21Å; F395-I505 HydrophobicContact CE2-CD1 3.63Å; I438-I505 HydrophobicContact CG2-CG2 4.09Å; L441-I505 HydrophobicContact CD2-CG2 4.48Å; I442-I505 HydrophobicContact CD1-CD1 4.46Å; I442-I505 HydrophobicContact CG1-CD1 4.36Å; I449-I505 HydrophobicContact CD1-CD1 3.65Å; H481-I505 WeakPolarHBondContact O-CA 3.46Å; F503-I505 HydrophobicContact CD2-CD1 4.33Å; F503-I505 HydrophobicContact CD2-CG1 4.04Å; F503-I505 HydrophobicContact CE2-CD1 3.78Å; F503-I505 HydrophobicContact CE2-CG1 3.96Å; I505-H507 PolarHBondContact O-N 3.46Å; I505-V512 PolarHBondContact N-O 3.23Å; I505-V512 PolarHBondContact O-N 2.6Å; I505-Y514 HydrophobicContact CB-CE2 4.22Å; I505-Y514 HydrophobicContact CD1-CE2 4.16Å; I505-Y514 HydrophobicContact CG1-CE2 4.25Å
506	C	91	Very high	86.9	Confident	20 Å²	20	40.5 Å²	40.5	14%	0.135	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	87.9	171.8	-62.3	0	0	0	0	109.3	I438 H481	I438-C506 WeakPolarHBondContact CD1-O 3.24Å; H481-C506 HydrophobicContact CB-CB 4.24Å; H481-C506 PolarHBondContact ND1-O 3.4Å; H481-C506 PolarHBondContact O-N 2.84Å
507	H	91.3	Very high	87.5	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	167.3	175.8	-69.7	-84.3	0	0	0	112.3	F384 E402 I505 A509 G510 Y514	F384-H507 HydrophobicContact CE2-CB 3.84Å; F384-H507 AromaticContact CE2-CG 3.94Å; F384-H507 HydrophobicContact CZ-CB 3.49Å; F384-H507 VanDerWaalsContact CZ-CB 3.49Å; F384-H507 AromaticContact CZ-CD2 3.92Å; F384-H507 AromaticContact CZ-CG 3.59Å; E402-H507 WeakPolarHBondContact CG-ND1 3.34Å; E402-H507 WeakPolarHBondContact OE1-CA 3.49Å; E402-H507 WeakPolarHBondContact OE1-CB 3.28Å; E402-H507 IonicContact OE1-CG 3.93Å; E402-H507 IonicContact OE1-ND1 2.82Å; E402-H507 PolarHBondContact OE1-ND1 3.2Å; I505-H507 PolarHBondContact O-N 3.46Å; H507-A509 PolarHBondContact O-N 2.86Å; H507-G510 WeakPolarHBondContact CB-O 3.29Å; H507-G510 PolarHBondContact N-O 2.97Å; H507-G510 PolarHBondContact O-N 2.9Å; H507-Y514 AromaticContact NE2-CE2 3.67Å; H507-Y514 AromaticContact NE2-CZ 3.71Å; H507-Y514 PolarHBondContact NE2-OH 3.46Å
508	Y	86.1	Confident	87.7	Confident	46 Å²	46	33.5 Å²	33.5	18%	0.18	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.2	173.3	81.2	-82.8	0	0	0	113.3	F384 E402 Q405 N435 G510 Y611	F384-Y508 AromaticContact CD2-CE1 3.67Å; F384-Y508 HydrophobicContact CD2-CE1 3.67Å; F384-Y508 HydrophobicContact CE2-CD1 4.35Å; F384-Y508 AromaticContact CE2-CE1 3.92Å; F384-Y508 HydrophobicContact CE2-CE1 3.92Å; E402-Y508 HydrophobicContact CG-CD1 4.32Å; E402-Y508 WeakPolarHBondContact OE1-CD1 3.47Å; E402-Y508 PolarHBondContact OE1-N 3.43Å; E402-Y508 WeakPolarHBondContact OE2-CD1 3.32Å; Q405-Y508 HydrophobicContact CB-CD1 4.5Å; Q405-Y508 HydrophobicContact CB-CE1 4.27Å; Q405-Y508 HydrophobicContact CG-CD1 4.44Å; Q405-Y508 HydrophobicContact CG-CD2 4.16Å; Q405-Y508 HydrophobicContact CG-CE1 4.47Å; Q405-Y508 HydrophobicContact CG-CE2 4.25Å; Q405-Y508 HydrophobicContact CG-CG 4.25Å; N435-Y508 WeakPolarHBondContact ND2-CB 3.05Å; Y508-G510 VanDerWaalsContact C-N 3.33Å; Y508-Y611 WeakPolarHBondContact CE2-O 3.21Å; Y508-Y611 VanDerWaalsContact CZ-O 3.24Å; Y508-Y611 PolarHBondContact OH-O 2.91Å
509	A	84.6	Confident	88.1	Confident	7 Å²	7	33.4 Å²	33.4	6%	0.058	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.6	-179.8	0	0	0	0	0	113.3	F384 H507 Y611	F384-A509 HydrophobicContact CD1-CB 3.72Å; F384-A509 HydrophobicContact CD2-CB 4.03Å; F384-A509 HydrophobicContact CE1-CB 3.7Å; F384-A509 HydrophobicContact CE2-CB 4.02Å; F384-A509 HydrophobicContact CG-CB 3.9Å; F384-A509 HydrophobicContact CZ-CB 3.87Å; H507-A509 PolarHBondContact O-N 2.86Å; A509-Y611 HydrophobicContact CB-CD1 4.09Å
510	G	86.3	Confident	88.1	Confident	30 Å²	30	32.3 Å²	32.3	31%	0.309	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-173.5	-177.6	0	0	0	0	0	114.1	H507 Y508	H507-G510 WeakPolarHBondContact CB-O 3.29Å; H507-G510 PolarHBondContact N-O 2.97Å; H507-G510 PolarHBondContact O-N 2.9Å; Y508-G510 VanDerWaalsContact C-N 3.33Å
511	K	89.1	Confident	87.7	Confident	113 Å²	113	29.8 Å²	29.8	49%	0.491	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.5	179.7	-67.7	-171.2	179.9	-156.6	0	110.9	E483 R504	E483-K511 WeakPolarHBondContact OE1-CE 3.42Å; E483-K511 IonicContact OE1-NZ 3.13Å; E483-K511 PolarHBondContact OE1-NZ 2.83Å; E483-K511 IonicContact OE2-NZ 3.8Å; E483-K511 PolarHBondContact OE2-NZ 2.78Å; R504-K511 HydrophobicContact CG-CB 4.27Å
512	V	90.8	Very high	87.2	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.5	176.7	-172.2	0	0	0	0	110	F384 I386 N390 R504 I505 Y514	F384-V512 HydrophobicContact CE1-CG2 3.65Å; F384-V512 HydrophobicContact CZ-CG2 3.8Å; I386-V512 HydrophobicContact CD1-CG2 3.83Å; I386-V512 HydrophobicContact CG1-CG2 3.89Å; N390-V512 HydrophobicContact CB-CG1 4.29Å; R504-V512 CarbonylContact C-O 3.57Å; R504-V512 WeakPolarHBondContact CA-O 3.42Å; R504-V512 VanDerWaalsContact CG-O 3.31Å; R504-V512 WeakPolarHBondContact CG-O 3.45Å; I505-V512 PolarHBondContact N-O 3.23Å; I505-V512 PolarHBondContact O-N 2.6Å; V512-Y514 HydrophobicContact CB-CE2 3.9Å; V512-Y514 HydrophobicContact CG1-CD1 4.32Å; V512-Y514 HydrophobicContact CG1-CD2 4.41Å; V512-Y514 HydrophobicContact CG1-CE1 3.69Å; V512-Y514 HydrophobicContact CG1-CE2 3.82Å; V512-Y514 VanDerWaalsContact CG1-CZ 3.42Å
513	T	92.2	Very high	86.6	Confident	34 Å²	34	29.4 Å²	29.4	21%	0.209	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122	177.9	-51.8	0	0	0	0	109.4	N390 M498 C502 R504	N390-T513 WeakPolarHBondContact CB-O 3.48Å; N390-T513 PolarHBondContact ND2-O 3.5Å; M498-T513 HydrophobicContact CG-CG2 4.26Å; C502-T513 HydrophobicContact CB-CG2 3.69Å; R504-T513 PolarHBondContact NE-OG1 3.36Å
514	Y	92.3	Very high	85.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.3	179.4	-59	-79.3	0	0	0	110.6	N390 Q394 F395 N398 C502 F503 I505 H507 V512	N390-Y514 HydrophobicContact CB-CD1 3.6Å; N390-Y514 HydrophobicContact CB-CE1 3.98Å; N390-Y514 HydrophobicContact CB-CG 4.45Å; N390-Y514 WeakPolarHBondContact O-CA 3.1Å; Q394-Y514 HydrophobicContact CB-CE1 4.16Å; F395-Y514 VanDerWaalsContact CA-CE1 3.46Å; F395-Y514 HydrophobicContact CB-CD1 3.88Å; F395-Y514 HydrophobicContact CB-CE1 3.79Å; F395-Y514 HydrophobicContact CD2-CD2 4.31Å; F395-Y514 HydrophobicContact CD2-CE1 4.39Å; F395-Y514 HydrophobicContact CD2-CE2 4.11Å; N398-Y514 WeakPolarHBondContact CB-OH 3.42Å; N398-Y514 PolarHBondContact ND2-OH 3.3Å; C502-Y514 WeakPolarHBondContact CA-O 3.49Å; C502-Y514 WeakPolarHBondContact CB-O 3.48Å; F503-Y514 HydrophobicContact CD2-CD2 4.17Å; F503-Y514 AromaticContact CE2-CD2 3.54Å; F503-Y514 HydrophobicContact CE2-CD2 3.54Å; F503-Y514 HydrophobicContact CE2-CE2 4.38Å; F503-Y514 HydrophobicContact CE2-CG 4.09Å; F503-Y514 AromaticContact CZ-CD2 3.91Å; F503-Y514 HydrophobicContact CZ-CD2 3.91Å; F503-Y514 AromaticContact CZ-CG 3.98Å; F503-Y514 HydrophobicContact CZ-CG 3.98Å; F503-Y514 PolarHBondContact N-O 3.05Å; F503-Y514 PolarHBondContact O-N 2.98Å; I505-Y514 HydrophobicContact CB-CE2 4.22Å; I505-Y514 HydrophobicContact CD1-CE2 4.16Å; I505-Y514 HydrophobicContact CG1-CE2 4.25Å; H507-Y514 AromaticContact NE2-CE2 3.67Å; H507-Y514 AromaticContact NE2-CZ 3.71Å; H507-Y514 PolarHBondContact NE2-OH 3.46Å; V512-Y514 HydrophobicContact CB-CE2 3.9Å; V512-Y514 HydrophobicContact CG1-CD1 4.32Å; V512-Y514 HydrophobicContact CG1-CD2 4.41Å; V512-Y514 HydrophobicContact CG1-CE1 3.69Å; V512-Y514 HydrophobicContact CG1-CE2 3.82Å; V512-Y514 VanDerWaalsContact CG1-CZ 3.42Å
515	N	90.2	Very high	84.1	Confident	48 Å²	48	32.2 Å²	32.2	26%	0.257	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.9	174.7	-177.3	-13.2	0	0	0	109.8	N390 S501 T517 F519	N390-N515 PolarHBondContact O-N 2.85Å; S501-N515 PolarHBondContact O-OD1 2.86Å; N515-T517 PolarHBondContact O-N 2.98Å; N515-T517 WeakPolarHBondContact OD1-CB 3.48Å; N515-T517 PolarHBondContact OD1-N 3.34Å; N515-T517 PolarHBondContact OD1-OG1 3.49Å; N515-F519 VanDerWaalsContact O-CD2 3.31Å; N515-F519 WeakPolarHBondContact O-CD2 3.29Å; N515-F519 WeakPolarHBondContact O-CE2 3.43Å
516	V	89.1	Confident	82.7	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.194	C	C	.	.			trans	-71.7	-11.9	-176.1	-60.4	0	0	0	0	114.2	D465 F468 L469 S501 F503 N518 F519	D465-V516 HydrophobicContact CB-CB 4.24Å; D465-V516 HydrophobicContact CB-CG2 3.96Å; D465-V516 VanDerWaalsContact CB-O 3.26Å; D465-V516 WeakPolarHBondContact CB-O 3.44Å; F468-V516 HydrophobicContact CD1-CG1 4.46Å; L469-V516 HydrophobicContact CB-CG1 4.17Å; L469-V516 HydrophobicContact CB-CG2 4.24Å; L469-V516 HydrophobicContact CD1-CG1 4.08Å; L469-V516 HydrophobicContact CD2-CG1 4.47Å; L469-V516 HydrophobicContact CD2-CG2 4.24Å; L469-V516 HydrophobicContact CG-CG1 4.46Å; S501-V516 WeakPolarHBondContact O-CG2 3.39Å; S501-V516 PolarHBondContact O-N 3.35Å; F503-V516 HydrophobicContact CD1-CG1 3.5Å; F503-V516 VanDerWaalsContact CD1-CG1 3.5Å; F503-V516 HydrophobicContact CE1-CG1 3.77Å; V516-N518 PolarHBondContact O-N 3.35Å; V516-F519 VanDerWaalsContact O-CB 3.3Å; V516-F519 WeakPolarHBondContact O-CB 3.41Å; V516-F519 WeakPolarHBondContact O-CD2 3.18Å; V516-F519 PolarHBondContact O-N 3.43Å
517	T	85.1	Confident	81.9	Confident	63 Å²	63	36 Å²	36	39%	0.387	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	126.7	-178.7	-57.2	0	0	0	0	111.7	N515 F519	N515-T517 PolarHBondContact O-N 2.98Å; N515-T517 WeakPolarHBondContact OD1-CB 3.48Å; N515-T517 PolarHBondContact OD1-N 3.34Å; N515-T517 PolarHBondContact OD1-OG1 3.49Å; T517-F519 VanDerWaalsContact C-N 3.27Å; T517-F519 PolarHBondContact O-N 2.92Å
518	N	78.3	Confident	81.2	Confident	68 Å²	68	37 Å²	37	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	19.7	-176.2	-52.2	-33.1	0	0	0	115.1	D465 V516 I520 D521 K522	D465-N518 PolarHBondContact OD2-N 3Å; V516-N518 PolarHBondContact O-N 3.35Å; N518-I520 VanDerWaalsContact C-N 3.32Å; N518-I520 PolarHBondContact O-N 2.93Å; N518-D521 HydrophobicContact CB-CB 4.45Å; N518-K522 WeakPolarHBondContact O-CB 3.13Å; N518-K522 WeakPolarHBondContact O-CG 3.49Å; N518-K522 PolarHBondContact O-N 3.26Å
519	F	84.2	Confident	80.9	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-42.3	175.6	-99.2	-126.5	0	0	0	111.6	F392 F395 L453 D465 F468 F503 N515 V516 T517 K522 N523	F392-F519 HydrophobicContact CB-CD1 4.39Å; F392-F519 HydrophobicContact CB-CD2 4.09Å; F392-F519 HydrophobicContact CB-CE1 4.32Å; F392-F519 HydrophobicContact CB-CE2 4.01Å; F392-F519 HydrophobicContact CB-CG 4.29Å; F392-F519 HydrophobicContact CB-CZ 4.14Å; F392-F519 HydrophobicContact CD2-CD1 4.04Å; F392-F519 HydrophobicContact CD2-CE1 4.14Å; F395-F519 HydrophobicContact CB-CE1 4.42Å; F395-F519 HydrophobicContact CB-CZ 4.28Å; F395-F519 HydrophobicContact CG-CE1 4.4Å; L453-F519 HydrophobicContact CD1-CB 4.19Å; L453-F519 HydrophobicContact CD2-CD1 4.39Å; D465-F519 PolarHBondContact OD1-N 2.95Å; D465-F519 VanDerWaalsContact OD1-N 3.14Å; F468-F519 HydrophobicContact CE1-CB 4.43Å; F468-F519 AromaticContact CE1-CD1 3.91Å; F468-F519 HydrophobicContact CE1-CD1 3.91Å; F468-F519 HydrophobicContact CE1-CG 4.48Å; F503-F519 AromaticContact CE1-CE1 3.93Å; F503-F519 HydrophobicContact CE1-CE1 3.93Å; F503-F519 HydrophobicContact CE1-CZ 4.14Å; F503-F519 AromaticContact CZ-CE1 3.99Å; F503-F519 HydrophobicContact CZ-CE1 3.99Å; F503-F519 HydrophobicContact CZ-CZ 4.26Å; N515-F519 VanDerWaalsContact O-CD2 3.31Å; N515-F519 WeakPolarHBondContact O-CD2 3.29Å; N515-F519 WeakPolarHBondContact O-CE2 3.43Å; V516-F519 VanDerWaalsContact O-CB 3.3Å; V516-F519 WeakPolarHBondContact O-CB 3.41Å; V516-F519 WeakPolarHBondContact O-CD2 3.18Å; V516-F519 PolarHBondContact O-N 3.43Å; T517-F519 VanDerWaalsContact C-N 3.27Å; T517-F519 PolarHBondContact O-N 2.92Å; F519-K522 PolarHBondContact O-N 2.97Å; F519-N523 WeakPolarHBondContact O-CB 3.39Å; F519-N523 PolarHBondContact O-N 2.77Å
520	I	81	Confident	80.9	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.046	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-44.4	-178.4	-64.7	-178.8	0	0	0	110.6	L453 E456 V463 S464 D465 F468 N518 K522 N523 N524	L453-I520 HydrophobicContact CD1-CG1 3.96Å; E456-I520 HydrophobicContact CB-CD1 4.43Å; V463-I520 HydrophobicContact CG1-CD1 3.44Å; V463-I520 VanDerWaalsContact CG1-CD1 3.44Å; V463-I520 HydrophobicContact CG1-CG2 4.07Å; S464-I520 WeakPolarHBondContact O-CD1 3.37Å; D465-I520 PolarHBondContact OD1-N 3.41Å; D465-I520 VanDerWaalsContact OD1-N 3.14Å; F468-I520 HydrophobicContact CB-CD1 4.01Å; F468-I520 HydrophobicContact CB-CG1 4.46Å; N518-I520 VanDerWaalsContact C-N 3.32Å; N518-I520 PolarHBondContact O-N 2.93Å; I520-K522 VanDerWaalsContact C-N 3.35Å; I520-K522 PolarHBondContact O-N 3.48Å; I520-N523 PolarHBondContact O-N 3.29Å; I520-N524 WeakPolarHBondContact O-CB 3.47Å; I520-N524 PolarHBondContact O-N 2.92Å; I520-N524 PolarHBondContact O-ND2 2.94Å
521	D	72.9	Confident	81	Confident	85 Å²	85	36.8 Å²	36.8	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-62.6	-42.2	177.9	-65.3	-32.7	0	0	0	111.9	N518 N524	N518-D521 HydrophobicContact CB-CB 4.45Å; D521-N524 PolarHBondContact O-N 2.86Å
522	K	76.7	Confident	81	Confident	67 Å²	67	31.7 Å²	31.7	29%	0.291	16%	0.163	S	C	.	.	H	α-helix	trans	-67.5	-35	176.8	-72.3	177.4	179.6	-165.6	0	112.6	S391 F392 E393 N518 F519 I520	S391-K522 PolarHBondContact OG-NZ 2.75Å; F392-K522 HydrophobicContact CB-CB 4.17Å; F392-K522 HydrophobicContact CB-CD 3.82Å; F392-K522 HydrophobicContact CD1-CB 3.94Å; F392-K522 HydrophobicContact CG-CB 4.21Å; E393-K522 VanDerWaalsContact CD-NZ 3.32Å; E393-K522 WeakPolarHBondContact OE1-CE 3.47Å; E393-K522 IonicContact OE1-NZ 2.66Å; E393-K522 PolarHBondContact OE1-NZ 3.19Å; E393-K522 VanDerWaalsContact OE1-NZ 3.13Å; E393-K522 IonicContact OE2-NZ 3.31Å; E393-K522 PolarHBondContact OE2-NZ 3.45Å; N518-K522 WeakPolarHBondContact O-CB 3.13Å; N518-K522 WeakPolarHBondContact O-CG 3.49Å; N518-K522 PolarHBondContact O-N 3.26Å; F519-K522 PolarHBondContact O-N 2.97Å; I520-K522 VanDerWaalsContact C-N 3.35Å; I520-K522 PolarHBondContact O-N 3.48Å
523	N	77.9	Confident	80.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.8	-31.8	177.6	-167.8	48.2	0	0	0	112.8	F392 L453 D454 C457 F519 I520 D525 T562 A563 G564	F392-N523 HydrophobicContact CZ-CB 4.49Å; L453-N523 HydrophobicContact CD1-CB 4.44Å; L453-N523 HydrophobicContact CD2-CB 3.69Å; L453-N523 HydrophobicContact CG-CB 3.87Å; D454-N523 PolarHBondContact OD1-ND2 2.99Å; C457-N523 PolarHBondContact SG-ND2 3.35Å; C457-N523 VanDerWaalsContact SG-ND2 3.39Å; F519-N523 WeakPolarHBondContact O-CB 3.39Å; F519-N523 PolarHBondContact O-N 2.77Å; I520-N523 PolarHBondContact O-N 3.29Å; N523-D525 VanDerWaalsContact C-N 3.29Å; N523-D525 PolarHBondContact O-N 2.86Å; N523-T562 WeakPolarHBondContact O-CB 3.49Å; N523-A563 PolarHBondContact O-N 2.91Å; N523-G564 WeakPolarHBondContact OD1-CA 3.2Å; N523-G564 PolarHBondContact OD1-N 2.9Å
524	N	68.4	Low	80.7	Confident	43 Å²	43	32.1 Å²	32.1	23%	0.23	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-21.6	-173.8	-94.2	-41.3	0	0	0	114.1	C457 I520 D521 L526	C457-N524 WeakPolarHBondContact CB-OD1 3.42Å; I520-N524 WeakPolarHBondContact O-CB 3.47Å; I520-N524 PolarHBondContact O-N 2.92Å; I520-N524 PolarHBondContact O-ND2 2.94Å; D521-N524 PolarHBondContact O-N 2.86Å; N524-L526 HydrophobicContact CB-CD1 4.03Å; N524-L526 WeakPolarHBondContact O-CA 3.46Å; N524-L526 WeakPolarHBondContact O-CB 3.33Å; N524-L526 WeakPolarHBondContact O-CG 3.46Å; N524-L526 PolarHBondContact O-N 2.91Å
525	D	64.7	Low	80.7	Confident	29 Å²	29	32.1 Å²	32.1	16%	0.155	16%	0.164	C	C	.	.			trans	22	45.4	177.9	-159.6	23.5	0	0	0	115	K185 N523 L527 A563	K185-D525 IonicContact NZ-OD2 3.66Å; K185-D525 PolarHBondContact NZ-OD2 3.33Å; N523-D525 VanDerWaalsContact C-N 3.29Å; N523-D525 PolarHBondContact O-N 2.86Å; D525-L527 PolarHBondContact O-N 3.07Å; D525-L527 VanDerWaalsContact O-N 3.11Å; D525-A563 HydrophobicContact CB-CB 4.16Å
526	L	64.3	Low	80.7	Confident	82 Å²	82	32 Å²	32	43%	0.429	16%	0.16	S	C	.	.			trans	-90.9	92.3	-156.4	-117.1	152.4	0	0	0	108.7	N524 F528	N524-L526 HydrophobicContact CB-CD1 4.03Å; N524-L526 WeakPolarHBondContact O-CA 3.46Å; N524-L526 WeakPolarHBondContact O-CB 3.33Å; N524-L526 WeakPolarHBondContact O-CG 3.46Å; N524-L526 PolarHBondContact O-N 2.91Å; L526-F528 PolarHBondContact O-N 2.76Å
527	L	74.9	Confident	80.8	Confident	17 Å²	17	37.8 Å²	37.8	9%	0.089	19%	0.185	C	C	.	.			trans	-73.6	112.1	166.8	-174.4	72.3	0	0	0	108.8	L345 N348 D525 L531 S532 F547	L345-L527 HydrophobicContact CB-CD1 4.49Å; L345-L527 HydrophobicContact CD1-CD1 4.22Å; N348-L527 HydrophobicContact CB-CD1 4.31Å; N348-L527 HydrophobicContact CB-CD2 4.29Å; D525-L527 PolarHBondContact O-N 3.07Å; D525-L527 VanDerWaalsContact O-N 3.11Å; L527-L531 HydrophobicContact CD1-CB 3.9Å; L527-L531 HydrophobicContact CD1-CD1 3.86Å; L527-L531 HydrophobicContact CG-CB 4.42Å; L527-S532 WeakPolarHBondContact CD2-OG 3.5Å; L527-F547 HydrophobicContact CD2-CD1 3.95Å; L527-F547 HydrophobicContact CD2-CE1 3.53Å
528	F	76.3	Confident	81.1	Confident	31 Å²	31	34.8 Å²	34.8	14%	0.136	17%	0.167	C	C	.	.			trans	-61.7	147.3	176.4	-57.8	-38.3	0	0	0	111.1	R320 L333 A341 L526 D530 L531 S532	R320-F528 HydrophobicContact CG-CD1 4.18Å; R320-F528 HydrophobicContact CG-CD2 4.49Å; R320-F528 HydrophobicContact CG-CG 4.15Å; L333-F528 HydrophobicContact CD1-CD2 4.19Å; L333-F528 HydrophobicContact CD1-CE2 3.71Å; L333-F528 HydrophobicContact CD2-CE2 4.41Å; A341-F528 HydrophobicContact CB-CD2 4.09Å; A341-F528 HydrophobicContact CB-CE2 3.87Å; L526-F528 PolarHBondContact O-N 2.76Å; F528-D530 PolarHBondContact O-N 3.41Å; F528-L531 HydrophobicContact CB-CD1 4.17Å; F528-L531 HydrophobicContact CB-CG 4.34Å; F528-L531 HydrophobicContact CD2-CD1 4.27Å; F528-L531 WeakPolarHBondContact O-CB 3.4Å; F528-L531 PolarHBondContact O-N 3.04Å; F528-S532 PolarHBondContact O-N 3.05Å; F528-S532 PolarHBondContact O-OG 3.07Å
529	R	79.6	Confident	81.7	Confident	63 Å²	63	39.6 Å²	39.6	24%	0.238	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-35.8	-179.8	-170.2	-176.1	65	161.3	8	111.8	E323 L531 S532 Q533	E323-R529 VanDerWaalsContact CD-CZ 3.5Å; E323-R529 IonicContact OE1-CZ 3.83Å; E323-R529 IonicContact OE1-NH1 3.07Å; E323-R529 IonicContact OE1-NH2 3.06Å; E323-R529 PolarHBondContact OE1-NH2 2.7Å; E323-R529 IonicContact OE2-CZ 3.4Å; E323-R529 IonicContact OE2-NH1 3.83Å; E323-R529 PolarHBondContact OE2-NH1 3.49Å; E323-R529 IonicContact OE2-NH2 3.06Å; E323-R529 PolarHBondContact OE2-NH2 3.05Å; R529-L531 VanDerWaalsContact C-N 3.29Å; R529-L531 PolarHBondContact O-N 3.4Å; R529-S532 WeakPolarHBondContact O-CB 3.25Å; R529-S532 PolarHBondContact O-N 2.79Å; R529-S532 VanDerWaalsContact O-N 3.15Å; R529-Q533 HydrophobicContact CG-CG 4.33Å; R529-Q533 WeakPolarHBondContact O-CB 3.47Å; R529-Q533 WeakPolarHBondContact O-CG 3.41Å; R529-Q533 PolarHBondContact O-N 3.38Å
530	D	84.5	Confident	82.1	Confident	17 Å²	17	40 Å²	40	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-38.6	178.3	-52.1	-66.5	0	0	0	111.7	A316 R320 T321 F528 Q533 A534	A316-D530 HydrophobicContact CB-CB 4.27Å; R320-D530 WeakPolarHBondContact CA-OD2 3.37Å; T321-D530 WeakPolarHBondContact CB-OD1 3.23Å; T321-D530 PolarHBondContact N-OD2 3.39Å; T321-D530 PolarHBondContact OG1-OD1 3.38Å; F528-D530 PolarHBondContact O-N 3.41Å; D530-Q533 PolarHBondContact O-N 3.45Å; D530-A534 WeakPolarHBondContact O-CB 3.24Å; D530-A534 PolarHBondContact O-N 2.92Å
531	L	88.7	Confident	82.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-45.6	173.7	-63.7	169	0	0	0	111	A316 L317 A341 L345 L527 F528 R529 Q533 A534 M535	A316-L531 HydrophobicContact CB-CD2 3.98Å; A316-L531 WeakPolarHBondContact O-CD2 3.47Å; L317-L531 HydrophobicContact CD2-CD2 3.89Å; L317-L531 HydrophobicContact CG-CD2 4.33Å; A341-L531 HydrophobicContact CB-CD1 4.23Å; L345-L531 HydrophobicContact CB-CD1 4.38Å; L345-L531 HydrophobicContact CB-CD2 4.49Å; L345-L531 HydrophobicContact CD1-CB 4.37Å; L345-L531 HydrophobicContact CD2-CD2 4.22Å; L527-L531 HydrophobicContact CD1-CB 3.9Å; L527-L531 HydrophobicContact CD1-CD1 3.86Å; L527-L531 HydrophobicContact CG-CB 4.42Å; F528-L531 HydrophobicContact CB-CD1 4.17Å; F528-L531 HydrophobicContact CB-CG 4.34Å; F528-L531 HydrophobicContact CD2-CD1 4.27Å; F528-L531 WeakPolarHBondContact O-CB 3.4Å; F528-L531 PolarHBondContact O-N 3.04Å; R529-L531 VanDerWaalsContact C-N 3.29Å; R529-L531 PolarHBondContact O-N 3.4Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-Q533 PolarHBondContact O-N 3Å; L531-A534 PolarHBondContact O-N 3.28Å; L531-M535 WeakPolarHBondContact O-CG 3.43Å; L531-M535 PolarHBondContact O-N 3.29Å
532	S	88.3	Confident	83.7	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-41.1	178.3	-51.4	0	0	0	0	111.8	L527 F528 R529 M535 W536 E549	L527-S532 WeakPolarHBondContact CD2-OG 3.5Å; F528-S532 PolarHBondContact O-N 3.05Å; F528-S532 PolarHBondContact O-OG 3.07Å; R529-S532 WeakPolarHBondContact O-CB 3.25Å; R529-S532 PolarHBondContact O-N 2.79Å; R529-S532 VanDerWaalsContact O-N 3.15Å; S532-M535 PolarHBondContact O-N 3.4Å; S532-W536 WeakPolarHBondContact O-CB 3.45Å; S532-W536 PolarHBondContact O-N 3.01Å; S532-E549 PolarHBondContact OG-OE1 3.34Å
533	Q	87.9	Confident	84.5	Confident	39 Å²	39	36.5 Å²	36.5	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-40.3	176.3	-73.3	179.7	-6.2	0	0	112.2	R529 D530 L531 W536 K537 G550	R529-Q533 HydrophobicContact CG-CG 4.33Å; R529-Q533 WeakPolarHBondContact O-CB 3.47Å; R529-Q533 WeakPolarHBondContact O-CG 3.41Å; R529-Q533 PolarHBondContact O-N 3.38Å; D530-Q533 PolarHBondContact O-N 3.45Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-Q533 PolarHBondContact O-N 3Å; Q533-W536 PolarHBondContact O-N 3.15Å; Q533-K537 WeakPolarHBondContact O-CG 3.35Å; Q533-K537 PolarHBondContact O-N 3.07Å; Q533-K537 VanDerWaalsContact O-N 3.09Å; Q533-G550 WeakPolarHBondContact CG-O 3.18Å
534	A	90.2	Very high	85.2	Confident	6 Å²	6	42.1 Å²	42.1	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-46	174.6	0	0	0	0	0	110.9	L308 A316 D530 L531 W536 K537 A538	L308-A534 WeakPolarHBondContact CD1-O 3.31Å; L308-A534 HydrophobicContact CD2-CB 4.47Å; A316-A534 HydrophobicContact CB-CB 3.98Å; D530-A534 WeakPolarHBondContact O-CB 3.24Å; D530-A534 PolarHBondContact O-N 2.92Å; L531-A534 PolarHBondContact O-N 3.28Å; A534-W536 VanDerWaalsContact C-N 3.34Å; A534-W536 PolarHBondContact O-N 3.49Å; A534-K537 PolarHBondContact O-N 2.99Å; A534-A538 PolarHBondContact O-N 2.89Å
535	M	92.5	Very high	86.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-36.6	177.6	-63.3	-55.7	99.5	0	0	112.7	M270 L308 L313 L345 L531 S532 K537 A538 L543 F547	M270-M535 HydrophobicContact CE-CE 3.95Å; M270-M535 HydrophobicContact CE-SD 3.45Å; M270-M535 WeakPolarHBondContact CE-SD 3.2Å; L308-M535 HydrophobicContact CD2-CE 3.8Å; L313-M535 HydrophobicContact CD1-CE 3.81Å; L345-M535 HydrophobicContact CD1-CE 4.4Å; L345-M535 HydrophobicContact CD1-CG 3.67Å; L345-M535 HydrophobicContact CD1-SD 3.91Å; L345-M535 HydrophobicContact CD2-CE 4.06Å; L345-M535 HydrophobicContact CD2-SD 4.34Å; L531-M535 WeakPolarHBondContact O-CG 3.43Å; L531-M535 PolarHBondContact O-N 3.29Å; S532-M535 PolarHBondContact O-N 3.4Å; M535-K537 VanDerWaalsContact C-N 3.31Å; M535-K537 PolarHBondContact O-N 3.38Å; M535-A538 VanDerWaalsContact O-CB 3.27Å; M535-A538 WeakPolarHBondContact O-CB 3.43Å; M535-A538 PolarHBondContact O-N 3.06Å; M535-L543 HydrophobicContact SD-CD1 4.19Å; M535-L543 HydrophobicContact SD-CD2 3.99Å; M535-L543 HydrophobicContact SD-CG 4.38Å; M535-F547 HydrophobicContact CB-CB 4.13Å; M535-F547 HydrophobicContact CB-CD1 4.26Å; M535-F547 HydrophobicContact CB-CD2 3.35Å; M535-F547 HydrophobicContact CB-CE2 3.76Å; M535-F547 HydrophobicContact CB-CG 3.64Å; M535-F547 HydrophobicContact CB-CZ 4.37Å; M535-F547 HydrophobicContact CG-CD1 4.5Å; M535-F547 HydrophobicContact CG-CD2 3.91Å; M535-F547 HydrophobicContact CG-CE1 4.39Å; M535-F547 HydrophobicContact CG-CE2 3.77Å; M535-F547 HydrophobicContact CG-CG 4.28Å; M535-F547 HydrophobicContact CG-CZ 4.03Å
536	W	89.8	Confident	87.6	Confident	46 Å²	46	42 Å²	42	17%	0.174	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-29.3	176	179.5	-101.1	0	0	0	113.6	S532 Q533 A534 A538 R544 N551	S532-W536 WeakPolarHBondContact O-CB 3.45Å; S532-W536 PolarHBondContact O-N 3.01Å; Q533-W536 PolarHBondContact O-N 3.15Å; A534-W536 VanDerWaalsContact C-N 3.34Å; A534-W536 PolarHBondContact O-N 3.49Å; W536-A538 VanDerWaalsContact C-N 3.3Å; W536-R544 HydrophobicContact CD2-CG 3.82Å; W536-R544 HydrophobicContact CE3-CG 3.44Å; W536-R544 VanDerWaalsContact CE3-CG 3.44Å; W536-R544 HydrophobicContact CH2-CG 4.15Å; W536-R544 HydrophobicContact CZ2-CG 4.46Å; W536-R544 HydrophobicContact CZ3-CG 3.63Å; W536-R544 WeakPolarHBondContact CZ3-O 3.39Å; W536-R544 WeakPolarHBondContact O-CD 3.21Å; W536-R544 WeakPolarHBondContact O-CG 3.45Å; W536-N551 HydrophobicContact CD2-CB 4.2Å; W536-N551 HydrophobicContact CZ2-CB 3.89Å
537	K	90.4	Very high	88.9	Confident	122 Å²	122	38.1 Å²	38.1	53%	0.53	18%	0.183	S	C	.	.	H	α-helix	trans	-75.8	-15.5	176.4	-78.5	178.9	171.3	-174.3	0	113.8	L308 E312 Q533 A534 M535	L308-K537 HydrophobicContact CD1-CB 4.19Å; E312-K537 IonicContact OE1-NZ 3.03Å; E312-K537 PolarHBondContact OE1-NZ 3.41Å; E312-K537 WeakPolarHBondContact OE2-CD 3.37Å; E312-K537 IonicContact OE2-NZ 3.38Å; Q533-K537 WeakPolarHBondContact O-CG 3.35Å; Q533-K537 PolarHBondContact O-N 3.07Å; Q533-K537 VanDerWaalsContact O-N 3.09Å; A534-K537 PolarHBondContact O-N 2.99Å; M535-K537 VanDerWaalsContact C-N 3.31Å; M535-K537 PolarHBondContact O-N 3.38Å
538	A	91	Very high	89.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.198	C	C	.	.			trans	-58	142.7	178.1	0	0	0	0	0	111.2	V306 L308 A534 M535 W536 H540 L543	V306-A538 HydrophobicContact CG2-CB 4.46Å; L308-A538 HydrophobicContact CB-CB 4.44Å; A534-A538 PolarHBondContact O-N 2.89Å; M535-A538 VanDerWaalsContact O-CB 3.27Å; M535-A538 WeakPolarHBondContact O-CB 3.43Å; M535-A538 PolarHBondContact O-N 3.06Å; W536-A538 VanDerWaalsContact C-N 3.3Å; A538-H540 PolarHBondContact O-N 3.43Å; A538-L543 HydrophobicContact CB-CD2 3.85Å
539	Q	91.4	Very high	89.8	Confident	168 Å²	168	42 Å²	42	79%	0.785	21%	0.207	S	C	*	.	S	Bend	trans	-74.6	-15.9	176.1	-64.2	178.9	17	0	0	112.5	V306 G307 P541	V306-Q539 PolarHBondContact O-N 3.08Å; G307-Q539 WeakPolarHBondContact O-CG 3.17Å; G307-Q539 PolarHBondContact O-N 2.57Å; Q539-P541 WeakPolarHBondContact O-CD 3.13Å
540	H	93.1	Very high	90	Very high	11 Å²	11	39 Å²	39	5%	0.051	20%	0.195	C	C	.	.			trans	-67.9	116.1	178.9	-172.9	-93.7	0	0	0	112.5	Q263 E266 V267 V306 A538 L542 L543 R544	Q263-H540 WeakPolarHBondContact CG-NE2 3.49Å; E266-H540 IonicContact OE2-CD2 2.79Å; E266-H540 PolarHBondContact OE2-CD2 3.49Å; E266-H540 VanDerWaalsContact OE2-CD2 3.24Å; E266-H540 IonicContact OE2-NE2 3.73Å; E266-H540 PolarHBondContact OE2-NE2 3.27Å; E266-H540 VanDerWaalsContact OE2-NE2 3.13Å; V267-H540 VanDerWaalsContact CG2-CE1 3.44Å; V267-H540 WeakPolarHBondContact CG2-CE1 3.23Å; V306-H540 HydrophobicContact CB-CB 4.14Å; V306-H540 WeakPolarHBondContact O-CB 3.15Å; V306-H540 PolarHBondContact O-N 2.91Å; V306-H540 VanDerWaalsContact O-N 3.14Å; A538-H540 PolarHBondContact O-N 3.43Å; H540-L542 PolarHBondContact O-N 3.33Å; H540-L543 HydrophobicContact CB-CB 4.05Å; H540-L543 WeakPolarHBondContact ND1-CB 3.31Å; H540-L543 PolarHBondContact ND1-N 3.49Å; H540-L543 VanDerWaalsContact ND1-N 3.11Å; H540-L543 PolarHBondContact O-N 3.2Å; H540-R544 PolarHBondContact O-N 2.86Å
541	P	92.9	Very high	90	Very high	83 Å²	83	39.6 Å²	39.6	54%	0.539	20%	0.198	S	C	.	.	H	α-helix	trans	-59.6	-49.2	-170.1	-25.5	34	0	0	0	114.2	Q539 R544 S545	Q539-P541 WeakPolarHBondContact O-CD 3.13Å; P541-R544 PolarHBondContact O-N 2.77Å; P541-S545 PolarHBondContact O-N 2.96Å
542	L	94.3	Very high	89.6	Confident	3 Å²	3	44 Å²	44	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-46.3	179.1	169.6	63.4	0	0	0	111	Q263 V264 V267 L353 W356 H540 R544 S545 L546	Q263-L542 HydrophobicContact CB-CB 4.1Å; Q263-L542 HydrophobicContact CB-CD2 3.94Å; V264-L542 HydrophobicContact CG2-CD2 3.86Å; V267-L542 HydrophobicContact CG2-CD2 4.09Å; V267-L542 HydrophobicContact CG2-CG 4.32Å; L353-L542 HydrophobicContact CD1-CD2 3.81Å; L353-L542 HydrophobicContact CD1-CG 4.49Å; W356-L542 HydrophobicContact CB-CD1 4.49Å; W356-L542 HydrophobicContact CD2-CD1 3.28Å; W356-L542 HydrophobicContact CE3-CD1 3.67Å; W356-L542 HydrophobicContact CE3-CD2 4.47Å; W356-L542 HydrophobicContact CG-CD1 3.64Å; W356-L542 HydrophobicContact CH2-CD1 4.17Å; W356-L542 HydrophobicContact CZ2-CD1 3.83Å; W356-L542 HydrophobicContact CZ3-CD1 4.08Å; W356-L542 HydrophobicContact CZ3-CD2 4.4Å; H540-L542 PolarHBondContact O-N 3.33Å; L542-R544 VanDerWaalsContact C-N 3.31Å; L542-R544 PolarHBondContact O-N 2.9Å; L542-S545 WeakPolarHBondContact O-CA 3.48Å; L542-S545 WeakPolarHBondContact O-CB 3.34Å; L542-S545 PolarHBondContact O-N 2.77Å; L542-S545 PolarHBondContact O-OG 2.96Å; L542-L546 HydrophobicContact CD1-CD2 4.21Å; L542-L546 WeakPolarHBondContact O-CG 3.31Å; L542-L546 PolarHBondContact O-N 2.67Å; L542-L546 VanDerWaalsContact O-N 3.13Å
543	L	92.8	Very high	89	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-43.3	-177.3	-177.8	63.7	0	0	0	110.7	V267 M270 V306 V349 M535 A538 H540 S545 L546 F547	V267-L543 HydrophobicContact CG1-CD1 4.5Å; V267-L543 HydrophobicContact CG2-CB 4.31Å; M270-L543 HydrophobicContact CE-CD2 4.43Å; M270-L543 HydrophobicContact SD-CD1 4.34Å; M270-L543 HydrophobicContact SD-CD2 3.87Å; V306-L543 HydrophobicContact CB-CD2 3.78Å; V306-L543 HydrophobicContact CG1-CD2 4.01Å; V306-L543 HydrophobicContact CG2-CD2 3.95Å; V349-L543 HydrophobicContact CG1-CD1 4.28Å; V349-L543 HydrophobicContact CG2-CD1 4.44Å; M535-L543 HydrophobicContact SD-CD1 4.19Å; M535-L543 HydrophobicContact SD-CD2 3.99Å; M535-L543 HydrophobicContact SD-CG 4.38Å; A538-L543 HydrophobicContact CB-CD2 3.85Å; H540-L543 HydrophobicContact CB-CB 4.05Å; H540-L543 WeakPolarHBondContact ND1-CB 3.31Å; H540-L543 PolarHBondContact ND1-N 3.49Å; H540-L543 VanDerWaalsContact ND1-N 3.11Å; H540-L543 PolarHBondContact O-N 3.2Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 2.89Å; L543-L546 WeakPolarHBondContact O-CB 3.48Å; L543-L546 PolarHBondContact O-N 3.33Å; L543-L546 VanDerWaalsContact O-N 3.16Å; L543-F547 HydrophobicContact CD1-CD2 4.35Å; L543-F547 HydrophobicContact CD1-CE2 3.91Å; L543-F547 WeakPolarHBondContact O-CD2 3.34Å
544	R	92.6	Very high	88	Confident	119 Å²	119	57.5 Å²	57.5	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-43.2	174.3	-177.9	172	176.7	-174.2	-0.3	111.7	W536 H540 P541 L542 L546 F547	W536-R544 HydrophobicContact CD2-CG 3.82Å; W536-R544 HydrophobicContact CE3-CG 3.44Å; W536-R544 VanDerWaalsContact CE3-CG 3.44Å; W536-R544 HydrophobicContact CH2-CG 4.15Å; W536-R544 HydrophobicContact CZ2-CG 4.46Å; W536-R544 HydrophobicContact CZ3-CG 3.63Å; W536-R544 WeakPolarHBondContact CZ3-O 3.39Å; W536-R544 WeakPolarHBondContact O-CD 3.21Å; W536-R544 WeakPolarHBondContact O-CG 3.45Å; H540-R544 PolarHBondContact O-N 2.86Å; P541-R544 PolarHBondContact O-N 2.77Å; L542-R544 VanDerWaalsContact C-N 3.31Å; L542-R544 PolarHBondContact O-N 2.9Å; R544-L546 PolarHBondContact O-N 3.11Å; R544-F547 PolarHBondContact O-N 3.08Å; R544-F547 VanDerWaalsContact O-N 3.12Å
545	S	93.1	Very high	86.5	Confident	60 Å²	60	59.6 Å²	59.6	42%	0.42	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-27.7	177.8	83	0	0	0	0	113.5	P541 L542 L543 F547	P541-S545 PolarHBondContact O-N 2.96Å; L542-S545 WeakPolarHBondContact O-CA 3.48Å; L542-S545 WeakPolarHBondContact O-CB 3.34Å; L542-S545 PolarHBondContact O-N 2.77Å; L542-S545 PolarHBondContact O-OG 2.96Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 2.89Å; S545-F547 VanDerWaalsContact C-N 3.31Å; S545-F547 PolarHBondContact O-N 2.78Å
546	L	92	Very high	84.8	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-71.8	-20.8	177.8	-58.3	-175.9	0	0	0	112.9	V267 R352 L353 W356 L542 L543 R544 P548	V267-L546 HydrophobicContact CG1-CD1 4.3Å; R352-L546 HydrophobicContact CB-CB 4.09Å; R352-L546 HydrophobicContact CB-CD1 4.39Å; R352-L546 HydrophobicContact CB-CD2 4.15Å; R352-L546 HydrophobicContact CB-CG 4.42Å; R352-L546 WeakPolarHBondContact CD-O 3.44Å; R352-L546 PolarHBondContact NH1-O 3.5Å; R352-L546 WeakPolarHBondContact O-CD2 3.47Å; L353-L546 HydrophobicContact CB-CD1 4.11Å; W356-L546 HydrophobicContact CB-CD2 3.64Å; W356-L546 HydrophobicContact CG-CD2 4.1Å; L542-L546 HydrophobicContact CD1-CD2 4.21Å; L542-L546 WeakPolarHBondContact O-CG 3.31Å; L542-L546 PolarHBondContact O-N 2.67Å; L542-L546 VanDerWaalsContact O-N 3.13Å; L543-L546 WeakPolarHBondContact O-CB 3.48Å; L543-L546 PolarHBondContact O-N 3.33Å; L543-L546 VanDerWaalsContact O-N 3.16Å; R544-L546 PolarHBondContact O-N 3.11Å; L546-P548 WeakPolarHBondContact O-CD 3.33Å
547	F	90.2	Very high	83.2	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.363	C	S	.	.			trans	-123.3	58.8	-174.7	-64	-88.6	0	0	0	113.6	L345 V349 L527 M535 L543 R544 S545 E549 G550	L345-F547 HydrophobicContact CD1-CZ 4.46Å; V349-F547 HydrophobicContact CB-CZ 4.43Å; V349-F547 HydrophobicContact CG2-CE2 3.86Å; V349-F547 HydrophobicContact CG2-CZ 3.59Å; L527-F547 HydrophobicContact CD2-CD1 3.95Å; L527-F547 HydrophobicContact CD2-CE1 3.53Å; M535-F547 HydrophobicContact CB-CB 4.13Å; M535-F547 HydrophobicContact CB-CD1 4.26Å; M535-F547 HydrophobicContact CB-CD2 3.35Å; M535-F547 HydrophobicContact CB-CE2 3.76Å; M535-F547 HydrophobicContact CB-CG 3.64Å; M535-F547 HydrophobicContact CB-CZ 4.37Å; M535-F547 HydrophobicContact CG-CD1 4.5Å; M535-F547 HydrophobicContact CG-CD2 3.91Å; M535-F547 HydrophobicContact CG-CE1 4.39Å; M535-F547 HydrophobicContact CG-CE2 3.77Å; M535-F547 HydrophobicContact CG-CG 4.28Å; M535-F547 HydrophobicContact CG-CZ 4.03Å; L543-F547 HydrophobicContact CD1-CD2 4.35Å; L543-F547 HydrophobicContact CD1-CE2 3.91Å; L543-F547 WeakPolarHBondContact O-CD2 3.34Å; R544-F547 PolarHBondContact O-N 3.08Å; R544-F547 VanDerWaalsContact O-N 3.12Å; S545-F547 VanDerWaalsContact C-N 3.31Å; S545-F547 PolarHBondContact O-N 2.78Å; F547-E549 PolarHBondContact O-N 3.09Å; F547-G550 PolarHBondContact O-N 3.31Å
548	P	87.1	Confident	81.7	Confident	61 Å²	61	71.8 Å²	71.8	40%	0.396	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-60.5	-31.3	-178	27.1	-35.3	0	0	0	113.1	L546 G550 N551	L546-P548 WeakPolarHBondContact O-CD 3.33Å; P548-G550 PolarHBondContact O-N 3.47Å; P548-N551 WeakPolarHBondContact O-CB 3.47Å; P548-N551 PolarHBondContact O-N 3.24Å; P548-N551 VanDerWaalsContact O-N 3.13Å
549	E	82.9	Confident	80.2	Confident	69 Å²	69	80.5 Å²	80.5	32%	0.322	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-70.3	-16	177.4	78.1	-74.9	-174	0	0	113.8	R352 S532 F547 N551	R352-E549 IonicContact CZ-OE1 3.31Å; R352-E549 IonicContact CZ-OE2 3.42Å; R352-E549 IonicContact NH1-OE1 3.31Å; R352-E549 PolarHBondContact NH1-OE1 3.19Å; R352-E549 IonicContact NH1-OE2 3.13Å; R352-E549 PolarHBondContact NH1-OE2 3.03Å; R352-E549 IonicContact NH2-OE1 3.33Å; R352-E549 PolarHBondContact NH2-OE1 3.01Å; S532-E549 PolarHBondContact OG-OE1 3.34Å; F547-E549 PolarHBondContact O-N 3.09Å; E549-N551 PolarHBondContact O-N 2.78Å
550	G	83.6	Confident	78.8	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-69.3	-11.5	171	0	0	0	0	0	112.9	Q533 F547 P548 P552	Q533-G550 WeakPolarHBondContact CG-O 3.18Å; F547-G550 PolarHBondContact O-N 3.31Å; P548-G550 PolarHBondContact O-N 3.47Å; G550-P552 VanDerWaalsContact O-CD 3.25Å; G550-P552 WeakPolarHBondContact O-CD 3.31Å
551	N	85.2	Confident	77.6	Confident	29 Å²	29	79.1 Å²	79.1	16%	0.155	41%	0.414	C	S	.	.			trans	-68.5	116.9	176.5	-175.3	-4.1	0	0	0	111.2	W536 P548 E549 K553 Q554 A555	W536-N551 HydrophobicContact CD2-CB 4.2Å; W536-N551 HydrophobicContact CZ2-CB 3.89Å; P548-N551 WeakPolarHBondContact O-CB 3.47Å; P548-N551 PolarHBondContact O-N 3.24Å; P548-N551 VanDerWaalsContact O-N 3.13Å; E549-N551 PolarHBondContact O-N 2.78Å; N551-K553 PolarHBondContact O-N 2.94Å; N551-K553 WeakPolarHBondContact OD1-CB 3.36Å; N551-K553 PolarHBondContact OD1-N 2.98Å; N551-Q554 HydrophobicContact CB-CB 4.35Å; N551-Q554 PolarHBondContact O-N 3.26Å; N551-A555 PolarHBondContact O-N 3.42Å
552	P	79.4	Confident	76.8	Confident	93 Å²	93	76.1 Å²	76.1	60%	0.604	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-58	-23.8	178.9	-24.6	35.2	0	0	0	113.9	G550	G550-P552 VanDerWaalsContact O-CD 3.25Å; G550-P552 WeakPolarHBondContact O-CD 3.31Å
553	K	77.1	Confident	76	Confident	197 Å²	197	76.9 Å²	76.9	86%	0.857	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-79.4	-20.1	178.4	-60.2	-173.7	178.7	-177.5	0	114.1	N551	N551-K553 PolarHBondContact O-N 2.94Å; N551-K553 WeakPolarHBondContact OD1-CB 3.36Å; N551-K553 PolarHBondContact OD1-N 2.98Å
554	Q	67.1	Low	75.4	Confident	129 Å²	129	76.9 Å²	76.9	60%	0.603	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-113.1	17.7	179.3	-71.5	-178.9	-15.6	0	0	111.8	N551 S556	N551-Q554 HydrophobicContact CB-CB 4.35Å; N551-Q554 PolarHBondContact O-N 3.26Å; Q554-S556 PolarHBondContact O-N 2.65Å
555	A	57.8	Low	74.9	Confident	50 Å²	50	72.8 Å²	72.8	41%	0.413	39%	0.393	S	S	.	.			trans	-58.8	101.8	-174.9	0	0	0	0	0	111.3	N551	N551-A555 PolarHBondContact O-N 3.42Å
556	S	56.5	Low	74.3	Confident	83 Å²	83	73.2 Å²	73.2	58%	0.58	39%	0.388	S	S	*	.			trans	-74.9	126.7	171.5	176.3	0	0	0	0	109.3	Q554 K558	Q554-S556 PolarHBondContact O-N 2.65Å; S556-K558 PolarHBondContact O-N 3.14Å; S556-K558 WeakPolarHBondContact OG-CB 3.46Å; S556-K558 PolarHBondContact OG-N 2.72Å
557	L	56.6	Low	73.7	Confident	161 Å²	161	73.6 Å²	73.6	84%	0.843	39%	0.39	S	S	*	.			trans	-75.7	-5.3	170.4	-68.8	167.6	0	0	0	112.6
558	K	58.7	Low	73.5	Confident	181 Å²	181	75.8 Å²	75.8	79%	0.787	40%	0.399	S	S	*	.	S	Bend	trans	-74.7	130.3	175.7	-75.5	-177	173.3	178.7	0	109.9	S556	S556-K558 PolarHBondContact O-N 3.14Å; S556-K558 WeakPolarHBondContact OG-CB 3.46Å; S556-K558 PolarHBondContact OG-N 2.72Å
559	R	59.2	Low	73.5	Confident	183 Å²	183	76.1 Å²	76.1	69%	0.691	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-58.7	142.6	170.7	-74.1	-175.4	179.5	-178.1	0.2	110.1
560	P	62.7	Low	73.5	Confident	74 Å²	74	74.6 Å²	74.6	48%	0.481	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-60.2	143.6	173.1	24.4	-31.4	0	0	0	109.9
561	P	68.1	Low	73.5	Confident	76 Å²	76	74.7 Å²	74.7	49%	0.494	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64.7	143.8	176.4	25.5	-31.1	0	0	0	110.4	A565 Q566	P561-A565 HydrophobicContact CB-CB 4.33Å; P561-Q566 HydrophobicContact CB-CG 3.99Å; P561-Q566 HydrophobicContact CG-CG 3.7Å; P561-Q566 PolarHBondContact O-NE2 2.76Å
562	T	76.6	Confident	73.6	Confident	20 Å²	20	76 Å²	76	12%	0.123	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-61.4	158.9	174.7	54.2	0	0	0	0	111.4	D454 N523 G564 A565 Q566	D454-T562 VanDerWaalsContact OD1-CB 3.25Å; D454-T562 WeakPolarHBondContact OD1-CB 3.46Å; D454-T562 WeakPolarHBondContact OD1-CG2 3.28Å; D454-T562 PolarHBondContact OD1-OG1 3.32Å; D454-T562 PolarHBondContact OD2-OG1 2.66Å; N523-T562 WeakPolarHBondContact O-CB 3.49Å; T562-G564 VanDerWaalsContact C-N 3.26Å; T562-G564 PolarHBondContact O-N 3.22Å; T562-A565 PolarHBondContact O-N 3.11Å; T562-A565 VanDerWaalsContact O-N 3.15Å; T562-A565 VanDerWaalsContact OG1-CB 3.31Å; T562-A565 WeakPolarHBondContact OG1-CB 3.44Å; T562-A565 PolarHBondContact OG1-N 3.24Å; T562-Q566 WeakPolarHBondContact O-CG 3.04Å; T562-Q566 PolarHBondContact O-N 3.11Å
563	A	77.3	Confident	73.8	Confident	19 Å²	19	76.2 Å²	76.2	16%	0.157	41%	0.411	C	S	.	.	H	α-helix	trans	-57.4	-40.8	178	0	0	0	0	0	111.7	F392 N523 D525 Q566 F567	F392-A563 HydrophobicContact CE1-CB 4.17Å; F392-A563 HydrophobicContact CZ-CB 4.42Å; N523-A563 PolarHBondContact O-N 2.91Å; D525-A563 HydrophobicContact CB-CB 4.16Å; A563-Q566 PolarHBondContact O-N 3.27Å; A563-F567 VanDerWaalsContact O-CB 3.23Å; A563-F567 WeakPolarHBondContact O-CB 3.38Å; A563-F567 PolarHBondContact O-N 2.85Å
564	G	80.6	Confident	74.2	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-42.3	175.8	0	0	0	0	0	113.3	N523 T562 F567 K568	N523-G564 WeakPolarHBondContact OD1-CA 3.2Å; N523-G564 PolarHBondContact OD1-N 2.9Å; T562-G564 VanDerWaalsContact C-N 3.26Å; T562-G564 PolarHBondContact O-N 3.22Å; G564-F567 PolarHBondContact O-N 2.93Å; G564-K568 VanDerWaalsContact O-CB 3.31Å; G564-K568 WeakPolarHBondContact O-CB 3.41Å; G564-K568 PolarHBondContact O-N 2.99Å
565	A	81.8	Confident	75.1	Confident	34 Å²	34	61.2 Å²	61.2	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-42.9	176.5	0	0	0	0	0	112.3	P561 T562 F567 K568 S569	P561-A565 HydrophobicContact CB-CB 4.33Å; T562-A565 PolarHBondContact O-N 3.11Å; T562-A565 VanDerWaalsContact O-N 3.15Å; T562-A565 VanDerWaalsContact OG1-CB 3.31Å; T562-A565 WeakPolarHBondContact OG1-CB 3.44Å; T562-A565 PolarHBondContact OG1-N 3.24Å; A565-F567 VanDerWaalsContact C-N 3.32Å; A565-F567 PolarHBondContact O-N 3.25Å; A565-K568 PolarHBondContact O-N 3.11Å; A565-S569 WeakPolarHBondContact O-CB 3.48Å; A565-S569 PolarHBondContact O-N 3.48Å
566	Q	79.3	Confident	76.4	Confident	68 Å²	68	66.7 Å²	66.7	32%	0.318	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-44	173.8	-68	178	17.3	0	0	111.1	P561 T562 A563 S569 S570	P561-Q566 HydrophobicContact CB-CG 3.99Å; P561-Q566 HydrophobicContact CG-CG 3.7Å; P561-Q566 PolarHBondContact O-NE2 2.76Å; T562-Q566 WeakPolarHBondContact O-CG 3.04Å; T562-Q566 PolarHBondContact O-N 3.11Å; A563-Q566 PolarHBondContact O-N 3.27Å; Q566-S569 PolarHBondContact O-N 3.41Å; Q566-S570 WeakPolarHBondContact O-CB 3.33Å; Q566-S570 PolarHBondContact O-N 2.96Å; Q566-S570 PolarHBondContact O-OG 3.16Å
567	F	80.3	Confident	77.7	Confident	19 Å²	19	64.5 Å²	64.5	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-51.7	178	-171.3	-82.7	0	0	0	111.1	L182 Y382 V396 Y399 C400 A563 G564 A565 S569 S570 V571	L182-F567 HydrophobicContact CB-CE2 4.19Å; L182-F567 HydrophobicContact CD1-CE2 3.8Å; L182-F567 HydrophobicContact CD1-CZ 3.83Å; L182-F567 HydrophobicContact CD2-CD2 3.16Å; L182-F567 HydrophobicContact CD2-CE2 3.09Å; L182-F567 HydrophobicContact CD2-CG 3.97Å; L182-F567 HydrophobicContact CD2-CZ 3.84Å; L182-F567 HydrophobicContact CG-CD2 4.31Å; L182-F567 HydrophobicContact CG-CE2 3.78Å; L182-F567 HydrophobicContact CG-CZ 4.32Å; Y382-F567 WeakPolarHBondContact OH-CE2 3.5Å; Y382-F567 WeakPolarHBondContact OH-CZ 3.3Å; V396-F567 HydrophobicContact CB-CD1 3.88Å; V396-F567 HydrophobicContact CB-CD2 3.65Å; V396-F567 HydrophobicContact CB-CE1 3.73Å; V396-F567 HydrophobicContact CB-CE2 3.47Å; V396-F567 VanDerWaalsContact CB-CE2 3.47Å; V396-F567 HydrophobicContact CB-CG 3.87Å; V396-F567 HydrophobicContact CB-CZ 3.55Å; V396-F567 HydrophobicContact CG1-CD1 4.27Å; V396-F567 HydrophobicContact CG1-CD2 4.25Å; V396-F567 HydrophobicContact CG1-CG 4.14Å; V396-F567 HydrophobicContact CG2-CD2 3.76Å; V396-F567 HydrophobicContact CG2-CE2 3.49Å; V396-F567 VanDerWaalsContact CG2-CE2 3.49Å; V396-F567 HydrophobicContact CG2-CG 4.45Å; V396-F567 HydrophobicContact CG2-CZ 4Å; V396-F567 WeakPolarHBondContact O-CE1 3.48Å; V396-F567 WeakPolarHBondContact O-CZ 3.24Å; Y399-F567 AromaticContact CD1-CD1 3.8Å; Y399-F567 HydrophobicContact CD1-CD1 3.8Å; Y399-F567 AromaticContact CD1-CE1 3.52Å; Y399-F567 HydrophobicContact CD1-CE1 3.52Å; Y399-F567 AromaticContact CE1-CD1 3.95Å; Y399-F567 HydrophobicContact CE1-CD1 3.95Å; Y399-F567 AromaticContact CE1-CE1 3.95Å; Y399-F567 HydrophobicContact CE1-CE1 3.95Å; C400-F567 HydrophobicContact CB-CE1 4.09Å; C400-F567 HydrophobicContact CB-CZ 3.83Å; A563-F567 VanDerWaalsContact O-CB 3.23Å; A563-F567 WeakPolarHBondContact O-CB 3.38Å; A563-F567 PolarHBondContact O-N 2.85Å; G564-F567 PolarHBondContact O-N 2.93Å; A565-F567 VanDerWaalsContact C-N 3.32Å; A565-F567 PolarHBondContact O-N 3.25Å; F567-S569 VanDerWaalsContact C-N 3.31Å; F567-S569 PolarHBondContact O-N 3.36Å; F567-S570 WeakPolarHBondContact O-CB 3.32Å; F567-S570 PolarHBondContact O-N 3.25Å; F567-S570 VanDerWaalsContact O-N 3.13Å; F567-V571 HydrophobicContact CD1-CG2 3.83Å; F567-V571 HydrophobicContact CE1-CG2 3.38Å; F567-V571 HydrophobicContact CZ-CG2 3.98Å; F567-V571 WeakPolarHBondContact O-CG2 3.49Å; F567-V571 PolarHBondContact O-N 3.21Å
568	K	86.4	Confident	79	Confident	46 Å²	46	57 Å²	57	20%	0.2	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-42.3	178.2	179.7	177	169.1	-175.9	0	112.2	E443 N445 L450 G564 A565 A572	E443-K568 HydrophobicContact CB-CD 4.49Å; E443-K568 VanDerWaalsContact O-CE 3.3Å; E443-K568 WeakPolarHBondContact O-CE 3.47Å; E443-K568 PolarHBondContact O-NZ 3.01Å; N445-K568 PolarHBondContact OD1-NZ 3.35Å; L450-K568 HydrophobicContact CD1-CB 4.34Å; G564-K568 VanDerWaalsContact O-CB 3.31Å; G564-K568 WeakPolarHBondContact O-CB 3.41Å; G564-K568 PolarHBondContact O-N 2.99Å; A565-K568 PolarHBondContact O-N 3.11Å; K568-A572 WeakPolarHBondContact O-CB 3.47Å; K568-A572 PolarHBondContact O-N 2.83Å
569	S	85.6	Confident	80.2	Confident	67 Å²	67	53.3 Å²	53.3	47%	0.469	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-43.2	175.4	-174.6	0	0	0	0	111.9	A565 Q566 F567 A572 I573	A565-S569 WeakPolarHBondContact O-CB 3.48Å; A565-S569 PolarHBondContact O-N 3.48Å; Q566-S569 PolarHBondContact O-N 3.41Å; F567-S569 VanDerWaalsContact C-N 3.31Å; F567-S569 PolarHBondContact O-N 3.36Å; S569-A572 PolarHBondContact O-N 2.86Å; S569-I573 WeakPolarHBondContact O-CG1 3.25Å; S569-I573 PolarHBondContact O-N 3.24Å
570	S	82.8	Confident	81.5	Confident	38 Å²	38	48.5 Å²	48.5	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-44.6	178.1	-58.4	0	0	0	0	112	Q566 F567 I573 L574	Q566-S570 WeakPolarHBondContact O-CB 3.33Å; Q566-S570 PolarHBondContact O-N 2.96Å; Q566-S570 PolarHBondContact O-OG 3.16Å; F567-S570 WeakPolarHBondContact O-CB 3.32Å; F567-S570 PolarHBondContact O-N 3.25Å; F567-S570 VanDerWaalsContact O-N 3.13Å; S570-I573 PolarHBondContact O-N 2.95Å; S570-L574 WeakPolarHBondContact O-CB 3.34Å; S570-L574 PolarHBondContact O-N 3.46Å
571	V	84.3	Confident	82.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-42.8	174.8	174.5	0	0	0	0	110.8	L182 Y399 C400 K403 F567 I573 L574 M575	L182-V571 HydrophobicContact CD1-CG2 4.45Å; Y399-V571 HydrophobicContact CE1-CB 4.45Å; Y399-V571 HydrophobicContact CE1-CG1 4.46Å; Y399-V571 HydrophobicContact CE1-CG2 4.36Å; C400-V571 HydrophobicContact CB-CG2 4.03Å; K403-V571 HydrophobicContact CB-CG1 4.06Å; K403-V571 HydrophobicContact CG-CG1 3.98Å; F567-V571 HydrophobicContact CD1-CG2 3.83Å; F567-V571 HydrophobicContact CE1-CG2 3.38Å; F567-V571 HydrophobicContact CZ-CG2 3.98Å; F567-V571 WeakPolarHBondContact O-CG2 3.49Å; F567-V571 PolarHBondContact O-N 3.21Å; V571-I573 VanDerWaalsContact C-N 3.34Å; V571-I573 PolarHBondContact O-N 2.8Å; V571-L574 WeakPolarHBondContact O-CB 3.42Å; V571-L574 PolarHBondContact O-N 3.26Å; V571-M575 HydrophobicContact CG1-CE 3.83Å; V571-M575 HydrophobicContact CG1-CG 4.24Å; V571-M575 VanDerWaalsContact O-CG 3.28Å; V571-M575 WeakPolarHBondContact O-CG 3.27Å; V571-M575 PolarHBondContact O-N 2.66Å
572	A	86.8	Confident	83.6	Confident	58 Å²	58	43.6 Å²	43.6	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-40.8	177.4	0	0	0	0	0	112.6	K568 S569 M575 K576	K568-A572 WeakPolarHBondContact O-CB 3.47Å; K568-A572 PolarHBondContact O-N 2.83Å; S569-A572 PolarHBondContact O-N 2.86Å; A572-M575 PolarHBondContact O-N 2.87Å; A572-K576 WeakPolarHBondContact O-CB 3.42Å; A572-K576 PolarHBondContact O-N 3.46Å
573	I	85.3	Confident	84.1	Confident	96 Å²	96	43.1 Å²	43.1	49%	0.492	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-46	174.6	-68.6	165	0	0	0	110.4	S569 S570 V571 M575 K576 N577	S569-I573 WeakPolarHBondContact O-CG1 3.25Å; S569-I573 PolarHBondContact O-N 3.24Å; S570-I573 PolarHBondContact O-N 2.95Å; V571-I573 VanDerWaalsContact C-N 3.34Å; V571-I573 PolarHBondContact O-N 2.8Å; I573-M575 PolarHBondContact O-N 3Å; I573-K576 PolarHBondContact O-N 2.81Å; I573-N577 PolarHBondContact O-N 2.93Å
574	L	83.6	Confident	84.8	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-46.4	177.6	176.5	63.4	0	0	0	111.6	Y181 L379 I381 S570 V571 N577 L578	Y181-L574 HydrophobicContact CD2-CD1 4.44Å; Y181-L574 HydrophobicContact CE1-CB 4.24Å; Y181-L574 HydrophobicContact CE2-CD1 3.9Å; L379-L574 HydrophobicContact CD1-CD1 3.97Å; L379-L574 HydrophobicContact CD2-CD1 3.81Å; L379-L574 HydrophobicContact CD2-CD2 4.08Å; L379-L574 HydrophobicContact CD2-CG 4.34Å; I381-L574 HydrophobicContact CD1-CD2 4.17Å; S570-L574 WeakPolarHBondContact O-CB 3.34Å; S570-L574 PolarHBondContact O-N 3.46Å; V571-L574 WeakPolarHBondContact O-CB 3.42Å; V571-L574 PolarHBondContact O-N 3.26Å; L574-N577 WeakPolarHBondContact O-CB 3.08Å; L574-N577 PolarHBondContact O-N 2.53Å; L574-L578 PolarHBondContact O-N 2.64Å
575	M	86.1	Confident	85.2	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-44.5	178.3	-65.2	-52.2	142.6	0	0	111.7	K403 L404 V407 V571 A572 I573 N577 L578 Y579	K403-M575 HydrophobicContact CB-CE 3.69Å; K403-M575 HydrophobicContact CB-CG 4.45Å; K403-M575 HydrophobicContact CB-SD 4.22Å; L404-M575 HydrophobicContact CD2-CE 3.5Å; L404-M575 VanDerWaalsContact CD2-CE 3.5Å; L404-M575 HydrophobicContact CD2-SD 4.13Å; L404-M575 HydrophobicContact CG-CE 3.73Å; V407-M575 HydrophobicContact CB-SD 4.35Å; V407-M575 HydrophobicContact CG2-CG 4.34Å; V407-M575 HydrophobicContact CG2-SD 3.52Å; V407-M575 VanDerWaalsContact CG2-SD 3.52Å; V571-M575 HydrophobicContact CG1-CE 3.83Å; V571-M575 HydrophobicContact CG1-CG 4.24Å; V571-M575 VanDerWaalsContact O-CG 3.28Å; V571-M575 WeakPolarHBondContact O-CG 3.27Å; V571-M575 PolarHBondContact O-N 2.66Å; A572-M575 PolarHBondContact O-N 2.87Å; I573-M575 PolarHBondContact O-N 3Å; M575-N577 PolarHBondContact O-N 2.89Å; M575-L578 PolarHBondContact O-N 2.85Å; M575-L578 VanDerWaalsContact O-N 3.13Å; M575-Y579 HydrophobicContact CB-CD2 4.32Å; M575-Y579 HydrophobicContact CB-CE2 4.16Å; M575-Y579 WeakPolarHBondContact O-CD2 3.38Å; M575-Y579 PolarHBondContact O-N 2.62Å
576	K	86.4	Confident	85.9	Confident	166 Å²	166	41 Å²	41	72%	0.722	22%	0.22	S	C	*	.	H	α-helix	trans	-57.8	-40.8	176.4	-176.7	-179.8	177.6	-177.7	0	111.6	A572 I573	A572-K576 WeakPolarHBondContact O-CB 3.42Å; A572-K576 PolarHBondContact O-N 3.46Å; I573-K576 PolarHBondContact O-N 2.81Å
577	N	83.8	Confident	86.6	Confident	36 Å²	36	38.1 Å²	38.1	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-46.6	175.9	-164.5	-17.8	0	0	0	110.9	Y162 I573 L574 M575 Y579 S580 K581	Y162-N577 VanDerWaalsContact CE1-ND2 3.31Å; Y162-N577 WeakPolarHBondContact CE1-ND2 3.44Å; I573-N577 PolarHBondContact O-N 2.93Å; L574-N577 WeakPolarHBondContact O-CB 3.08Å; L574-N577 PolarHBondContact O-N 2.53Å; M575-N577 PolarHBondContact O-N 2.89Å; N577-Y579 PolarHBondContact O-N 3.25Å; N577-S580 PolarHBondContact O-N 3.32Å; N577-S580 PolarHBondContact O-OG 3.38Å; N577-K581 PolarHBondContact OD1-NZ 2.95Å
578	L	83.7	Confident	87.3	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-44.1	179.3	-173.2	61.6	0	0	0	113.1	C96 L404 V407 L574 M575 S580 K581 P583	C96-L578 HydrophobicContact CB-CD1 3.87Å; C96-L578 WeakPolarHBondContact SG-CD1 3.49Å; L404-L578 HydrophobicContact CD2-CD2 3.96Å; V407-L578 HydrophobicContact CG1-CD2 3.85Å; V407-L578 HydrophobicContact CG1-CG 4.32Å; L574-L578 PolarHBondContact O-N 2.64Å; M575-L578 PolarHBondContact O-N 2.85Å; M575-L578 VanDerWaalsContact O-N 3.13Å; L578-S580 PolarHBondContact O-N 2.84Å; L578-K581 PolarHBondContact O-N 2.85Å; L578-K581 VanDerWaalsContact O-N 3.1Å; L578-P583 HydrophobicContact CD1-CB 4.35Å
579	Y	83.9	Confident	87.7	Confident	105 Å²	105	35 Å²	35	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-62.4	-23.6	178.6	-79.3	-63.8	0	0	0	113.8	V407 E410 M411 M575 N577 K581	V407-Y579 HydrophobicContact CB-CE1 4.38Å; V407-Y579 HydrophobicContact CG1-CD1 4.09Å; V407-Y579 HydrophobicContact CG1-CE1 3.7Å; V407-Y579 HydrophobicContact CG1-CE2 4.38Å; V407-Y579 HydrophobicContact CG2-CE1 4.16Å; V407-Y579 HydrophobicContact CG2-CE2 3.77Å; V407-Y579 VanDerWaalsContact CG2-CZ 3.45Å; V407-Y579 VanDerWaalsContact CG2-OH 3.23Å; V407-Y579 WeakPolarHBondContact CG2-OH 3.23Å; E410-Y579 PolarHBondContact OE2-OH 2.88Å; M411-Y579 HydrophobicContact CG-CD1 3.93Å; M411-Y579 HydrophobicContact CG-CE1 3.95Å; M411-Y579 HydrophobicContact SD-CD1 3.79Å; M411-Y579 HydrophobicContact SD-CE1 4.24Å; M575-Y579 HydrophobicContact CB-CD2 4.32Å; M575-Y579 HydrophobicContact CB-CE2 4.16Å; M575-Y579 WeakPolarHBondContact O-CD2 3.38Å; M575-Y579 PolarHBondContact O-N 2.62Å; N577-Y579 PolarHBondContact O-N 3.25Å; Y579-K581 VanDerWaalsContact C-N 3.29Å
580	S	86	Confident	87.9	Confident	81 Å²	81	32 Å²	32	57%	0.566	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10	178.5	71.7	0	0	0	0	113.8	N577 L578	N577-S580 PolarHBondContact O-N 3.32Å; N577-S580 PolarHBondContact O-OG 3.38Å; L578-S580 PolarHBondContact O-N 2.84Å
581	K	88.4	Confident	88.4	Confident	16 Å²	16	30.1 Å²	30.1	7%	0.07	16%	0.158	C	C	.	.	S	Bend	trans	-121.1	159.7	-172.9	-60.7	-172.6	162.4	84.7	0	111.4	D94 C96 Y162 D164 V375 M411 N577 L578 Y579 P583	D94-K581 HydrophobicContact CB-CB 4.27Å; D94-K581 HydrophobicContact CB-CD 4.34Å; D94-K581 HydrophobicContact CB-CG 3.78Å; C96-K581 HydrophobicContact CB-CB 3.95Å; C96-K581 HydrophobicContact CB-CD 4.09Å; Y162-K581 WeakPolarHBondContact OH-CD 3.22Å; Y162-K581 WeakPolarHBondContact OH-CE 3.37Å; Y162-K581 PolarHBondContact OH-NZ 3.12Å; Y162-K581 VanDerWaalsContact OH-NZ 3.15Å; D164-K581 IonicContact OD1-NZ 3.72Å; D164-K581 PolarHBondContact OD1-NZ 2.87Å; D164-K581 IonicContact OD2-NZ 3.66Å; D164-K581 PolarHBondContact OD2-NZ 3.36Å; V375-K581 VanDerWaalsContact CG1-CE 3.45Å; M411-K581 WeakPolarHBondContact CE-O 3.13Å; N577-K581 PolarHBondContact OD1-NZ 2.95Å; L578-K581 PolarHBondContact O-N 2.85Å; L578-K581 VanDerWaalsContact O-N 3.1Å; Y579-K581 VanDerWaalsContact C-N 3.29Å; K581-P583 WeakPolarHBondContact O-CD 3.2Å
582	N	87.1	Confident	88.7	Confident	32 Å²	32	30.1 Å²	30.1	17%	0.171	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.1	173.7	-176	51.7	0	0	0	110.7	D94 Q95 C96	D94-N582 VanDerWaalsContact O-CB 3.31Å; D94-N582 WeakPolarHBondContact O-CB 3.43Å; D94-N582 PolarHBondContact O-N 3.33Å; Q95-N582 CarbonylContact C-O 3.5Å; Q95-N582 WeakPolarHBondContact CA-O 3.43Å; Q95-N582 PolarHBondContact OE1-ND2 3.32Å; C96-N582 PolarHBondContact N-O 3.3Å
583	P	87.9	Confident	88.5	Confident	10 Å²	10	32.1 Å²	32.1	7%	0.065	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.1	-170.5	37.8	-36.4	0	0	0	112.9	C96 M411 L578 K581 Y585	C96-P583 CarbonylContact O-C 3.49Å; C96-P583 VanDerWaalsContact O-CA 3.26Å; C96-P583 WeakPolarHBondContact O-CA 3.41Å; M411-P583 HydrophobicContact CE-CG 3.77Å; M411-P583 HydrophobicContact SD-CG 4.15Å; L578-P583 HydrophobicContact CD1-CB 4.35Å; K581-P583 WeakPolarHBondContact O-CD 3.2Å; P583-Y585 HydrophobicContact CB-CE1 4.38Å; P583-Y585 HydrophobicContact CB-CE2 3.85Å; P583-Y585 WeakPolarHBondContact CB-OH 3.41Å; P583-Y585 HydrophobicContact CG-CE2 4Å; P583-Y585 WeakPolarHBondContact CG-OH 3.26Å
584	N	90.3	Very high	88.4	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.4	171.6	-62.8	-88.7	0	0	0	108.3	L80 Q95 C96 I97 L98	L80-N584 HydrophobicContact CD1-CB 4.14Å; L80-N584 HydrophobicContact CD2-CB 4.03Å; L80-N584 HydrophobicContact CG-CB 4.09Å; Q95-N584 PolarHBondContact OE1-ND2 2.99Å; C96-N584 PolarHBondContact O-N 3.43Å; I97-N584 CarbonylContact C-O 3.53Å; I97-N584 WeakPolarHBondContact CA-O 3.46Å; I97-N584 HydrophobicContact CG1-CB 4.11Å; L98-N584 PolarHBondContact N-O 3.23Å
585	Y	90.7	Very high	88.3	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.3	-166.3	-57.1	-88.6	0	0	0	113	V44 V45 L80 L98 F408 P583	V44-Y585 HydrophobicContact CG2-CD2 4.43Å; V45-Y585 PolarHBondContact N-O 2.81Å; L80-Y585 WeakPolarHBondContact CD1-O 3.4Å; L98-Y585 HydrophobicContact CB-CD1 3.81Å; L98-Y585 HydrophobicContact CB-CE1 4.02Å; L98-Y585 HydrophobicContact CD2-CD1 3.82Å; L98-Y585 HydrophobicContact CD2-CE1 3.61Å; L98-Y585 HydrophobicContact CG-CD1 4.28Å; L98-Y585 HydrophobicContact CG-CE1 4.4Å; L98-Y585 WeakPolarHBondContact O-CA 3.3Å; F408-Y585 HydrophobicContact CB-CE1 4.23Å; F408-Y585 AromaticContact CD2-CD1 3.85Å; F408-Y585 HydrophobicContact CD2-CD1 3.85Å; F408-Y585 AromaticContact CD2-CD2 3.86Å; F408-Y585 HydrophobicContact CD2-CD2 3.86Å; F408-Y585 AromaticContact CD2-CE1 3.4Å; F408-Y585 HydrophobicContact CD2-CE1 3.4Å; F408-Y585 VanDerWaalsContact CD2-CE1 3.4Å; F408-Y585 AromaticContact CD2-CE2 3.44Å; F408-Y585 HydrophobicContact CD2-CE2 3.44Å; F408-Y585 VanDerWaalsContact CD2-CE2 3.44Å; F408-Y585 HydrophobicContact CD2-CG 4.06Å; F408-Y585 AromaticContact CD2-CZ 3.2Å; F408-Y585 WeakPolarHBondContact CD2-OH 3.43Å; F408-Y585 HydrophobicContact CE2-CD1 4.21Å; F408-Y585 AromaticContact CE2-CD2 3.57Å; F408-Y585 HydrophobicContact CE2-CD2 3.57Å; F408-Y585 HydrophobicContact CE2-CE1 4.13Å; F408-Y585 AromaticContact CE2-CE2 3.49Å; F408-Y585 HydrophobicContact CE2-CE2 3.49Å; F408-Y585 VanDerWaalsContact CE2-CE2 3.49Å; F408-Y585 AromaticContact CE2-CG 3.96Å; F408-Y585 HydrophobicContact CE2-CG 3.96Å; F408-Y585 AromaticContact CE2-CZ 3.8Å; F408-Y585 HydrophobicContact CG-CE1 4.18Å; P583-Y585 HydrophobicContact CB-CE1 4.38Å; P583-Y585 HydrophobicContact CB-CE2 3.85Å; P583-Y585 WeakPolarHBondContact CB-OH 3.41Å; P583-Y585 HydrophobicContact CG-CE2 4Å; P583-Y585 WeakPolarHBondContact CG-OH 3.26Å
586	I	95	Very high	88.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.7	171.3	-57.2	169.7	0	0	0	108.4	V45 I77 L80 I97 L98 I99 T100 A110 V114	V45-I586 HydrophobicContact CB-CG1 4.5Å; V45-I586 CarbonylContact O-C 3.44Å; V45-I586 VanDerWaalsContact O-CA 3.3Å; V45-I586 WeakPolarHBondContact O-CA 3.31Å; I77-I586 HydrophobicContact CD1-CD1 3.75Å; I77-I586 HydrophobicContact CG1-CD1 3.91Å; L80-I586 HydrophobicContact CD1-CG1 3.97Å; L80-I586 HydrophobicContact CD2-CD1 4.24Å; L80-I586 HydrophobicContact CD2-CG1 4.33Å; I97-I586 HydrophobicContact CG2-CD1 3.66Å; I97-I586 HydrophobicContact CG2-CG1 4.12Å; L98-I586 PolarHBondContact O-N 3.45Å; I99-I586 WeakPolarHBondContact CA-O 3.38Å; I99-I586 HydrophobicContact CD1-CD1 4.32Å; I99-I586 HydrophobicContact CG1-CB 4.24Å; I99-I586 HydrophobicContact CG1-CD1 4.17Å; I99-I586 HydrophobicContact CG2-CB 4.39Å; I99-I586 HydrophobicContact CG2-CG2 4.43Å; T100-I586 PolarHBondContact N-O 2.96Å; A110-I586 HydrophobicContact CB-CG2 4.3Å; V114-I586 HydrophobicContact CG2-CD1 3.83Å
587	R	94.6	Very high	88.4	Confident	7 Å²	7	42 Å²	42	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	105.3	179.9	-56.6	-57.4	-169.9	162	6.9	108.6	V44 V45 I46 S47 T100 L612 L614	V44-R587 HydrophobicContact CG1-CG 3.72Å; V45-R587 PolarHBondContact O-N 3.16Å; I46-R587 CarbonylContact C-O 3.59Å; I46-R587 VanDerWaalsContact CA-O 3.32Å; I46-R587 WeakPolarHBondContact CA-O 3.32Å; I46-R587 HydrophobicContact CG1-CB 4.43Å; S47-R587 PolarHBondContact N-O 3.13Å; T100-R587 WeakPolarHBondContact OG1-CD 3.42Å; T100-R587 PolarHBondContact OG1-NH1 3.42Å; R587-L612 HydrophobicContact CB-CD1 4.23Å; R587-L612 HydrophobicContact CB-CD2 4.49Å; R587-L614 HydrophobicContact CB-CD2 4.06Å; R587-L614 HydrophobicContact CG-CD2 4.03Å
588	C	94.7	Very high	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.1	-176.6	-68.3	0	0	0	0	111.2	S47 T100 G101 S105 K107	S47-C588 CarbonylContact O-C 3.55Å; S47-C588 WeakPolarHBondContact O-CA 3.26Å; T100-C588 PolarHBondContact O-N 3.47Å; G101-C588 WeakPolarHBondContact CA-O 3.17Å; S105-C588 WeakPolarHBondContact O-CB 3.5Å; S105-C588 VanDerWaalsContact OG-CB 3.28Å; S105-C588 WeakPolarHBondContact OG-CB 3.19Å; K107-C588 HydrophobicContact CG-CB 4.01Å
589	I	94.1	Very high	88.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.9	-178.1	-61.7	177.4	0	0	0	110.3	L28 I46 S47 V48 N49 V605 L612 L614	L28-I589 HydrophobicContact CD1-CD1 4.04Å; I46-I589 HydrophobicContact CG2-CD1 3.64Å; I46-I589 HydrophobicContact CG2-CG1 4.3Å; S47-I589 PolarHBondContact O-N 2.92Å; V48-I589 WeakPolarHBondContact CA-O 3.45Å; V48-I589 HydrophobicContact CG2-CB 4.34Å; N49-I589 PolarHBondContact N-O 2.87Å; I589-V605 HydrophobicContact CG2-CB 4.41Å; I589-V605 HydrophobicContact CG2-CG1 3.89Å; I589-V605 HydrophobicContact CG2-CG2 3.95Å; I589-L612 HydrophobicContact CD1-CD1 4.31Å; I589-L612 HydrophobicContact CG1-CD1 3.67Å; I589-L614 HydrophobicContact CD1-CD1 3.94Å
590	K	91.1	Very high	89.4	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	22%	0.218	C	C	.	.			trans	-88.1	121.5	170.2	171.6	163.8	-178.6	-166.5	0	109.9	Y51 R152 N592 E593 L604 Q608	Y51-K590 WeakPolarHBondContact OH-CD 3.19Å; Y51-K590 WeakPolarHBondContact OH-CE 3.38Å; Y51-K590 VanDerWaalsContact OH-CG 3.25Å; Y51-K590 WeakPolarHBondContact OH-CG 3.31Å; R152-K590 PolarHBondContact O-NZ 2.96Å; K590-N592 WeakPolarHBondContact CE-O 3.48Å; K590-N592 VanDerWaalsContact CG-O 3.29Å; K590-N592 WeakPolarHBondContact CG-O 3.28Å; K590-E593 WeakPolarHBondContact CE-O 3.49Å; K590-E593 PolarHBondContact NZ-O 3.2Å; K590-L604 HydrophobicContact CG-CD2 4.2Å; K590-Q608 PolarHBondContact O-NE2 2.95Å
591	P	93.6	Very high	89.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-80	-23.2	-176.3	31.1	-37.3	0	0	0	114.3	Y32 V48 N49 Y51 F600 S601	Y32-P591 HydrophobicContact CE1-CB 4.14Å; Y32-P591 HydrophobicContact CE1-CG 4.45Å; Y32-P591 HydrophobicContact CE2-CB 4.07Å; Y32-P591 HydrophobicContact CE2-CG 3.92Å; Y32-P591 WeakPolarHBondContact OH-CG 3.4Å; V48-P591 HydrophobicContact CG1-CB 3.87Å; V48-P591 HydrophobicContact CG1-CG 4.21Å; N49-P591 VanDerWaalsContact O-CD 3.26Å; N49-P591 WeakPolarHBondContact O-CD 3.31Å; N49-P591 WeakPolarHBondContact O-CG 3.38Å; Y51-P591 HydrophobicContact CD2-CG 4.09Å; Y51-P591 HydrophobicContact CE2-CG 3.84Å; P591-F600 HydrophobicContact CB-CD2 3.96Å; P591-F600 CarbonylContact O-C 3.59Å; P591-F600 WeakPolarHBondContact O-CA 3.23Å; P591-S601 PolarHBondContact O-N 2.79Å
592	N	90.1	Very high	90	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.216	C	C	.	.			trans	-155.7	154.4	179.6	63	80	0	0	0	110.9	K590 H594 Q595 Q596 Q599	K590-N592 WeakPolarHBondContact CE-O 3.48Å; K590-N592 VanDerWaalsContact CG-O 3.29Å; K590-N592 WeakPolarHBondContact CG-O 3.28Å; N592-H594 PolarHBondContact OD1-N 3.28Å; N592-Q595 PolarHBondContact OD1-N 3.27Å; N592-Q596 PolarHBondContact ND2-O 3.14Å; N592-Q596 PolarHBondContact OD1-N 3.48Å; N592-Q599 HydrophobicContact CB-CB 4.14Å; N592-Q599 HydrophobicContact CB-CG 4.02Å; N592-Q599 PolarHBondContact ND2-O 3.26Å
593	E	82.4	Confident	90.2	Very high	100 Å²	100	47 Å²	47	47%	0.467	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-32.7	-176.5	-64.3	-159.2	155.3	0	0	114.1	K590 Q595 L604	K590-E593 WeakPolarHBondContact CE-O 3.49Å; K590-E593 PolarHBondContact NZ-O 3.2Å; E593-Q595 VanDerWaalsContact C-N 3.33Å; E593-Q595 PolarHBondContact O-N 3.14Å; E593-L604 HydrophobicContact CG-CD1 4.33Å; E593-L604 HydrophobicContact CG-CD2 3.8Å
594	H	82.3	Confident	90.3	Very high	128 Å²	128	47.4 Å²	47.4	59%	0.593	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	4.3	-169.7	-52.3	-60.1	0	0	0	115	N592 Q596	N592-H594 PolarHBondContact OD1-N 3.28Å; H594-Q596 HydrophobicContact CB-CG 3.91Å; H594-Q596 PolarHBondContact O-N 2.89Å
595	Q	83.1	Confident	90.4	Very high	67 Å²	67	47.1 Å²	47.1	31%	0.313	24%	0.242	S	C	.	.			trans	58.7	30.6	-177.9	-50.4	-174.6	-14.3	0	0	113.6	Y51 N592 E593	Y51-Q595 HydrophobicContact CD1-CB 3.92Å; Y51-Q595 HydrophobicContact CE1-CB 3.74Å; Y51-Q595 HydrophobicContact CE1-CG 3.89Å; Y51-Q595 HydrophobicContact CG-CB 4.44Å; N592-Q595 PolarHBondContact OD1-N 3.27Å; E593-Q595 VanDerWaalsContact C-N 3.33Å; E593-Q595 PolarHBondContact O-N 3.14Å
596	Q	83.9	Confident	90.5	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	25%	0.245	S	C	.	.			trans	-89.4	142.8	-177.6	-69.8	-175.3	-6.3	0	0	111.9	N592 H594 Q599	N592-Q596 PolarHBondContact ND2-O 3.14Å; N592-Q596 PolarHBondContact OD1-N 3.48Å; H594-Q596 HydrophobicContact CB-CG 3.91Å; H594-Q596 PolarHBondContact O-N 2.89Å; Q596-Q599 HydrophobicContact CB-CB 4.32Å
597	R	89.9	Confident	90.1	Very high	179 Å²	179	49.2 Å²	49.2	68%	0.675	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	137.5	177.2	-63.2	173.6	-176.9	176.9	7.7	110.1	Y51 Q52 Q599	Y51-R597 WeakPolarHBondContact O-CG 3.48Å; Y51-R597 PolarHBondContact O-NE 3.22Å; Q52-R597 HydrophobicContact CB-CG 4.11Å; R597-Q599 PolarHBondContact O-N 2.93Å; R597-Q599 VanDerWaalsContact O-N 3.17Å
598	G	85.9	Confident	89.9	Confident	60 Å²	60	49 Å²	49	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-3	173.5	0	0	0	0	0	116.1
599	Q	92.3	Very high	89.8	Confident	74 Å²	74	49.2 Å²	49.2	35%	0.346	26%	0.257	S	S	.	.			trans	-89.3	138.8	174.3	-169.4	-175.3	28.5	0	0	111	Y32 N592 Q596 R597	Y32-Q599 WeakPolarHBondContact CE1-O 3.39Å; N592-Q599 HydrophobicContact CB-CB 4.14Å; N592-Q599 HydrophobicContact CB-CG 4.02Å; N592-Q599 PolarHBondContact ND2-O 3.26Å; Q596-Q599 HydrophobicContact CB-CB 4.32Å; R597-Q599 PolarHBondContact O-N 2.93Å; R597-Q599 VanDerWaalsContact O-N 3.17Å
600	F	94.1	Very high	89.5	Confident	27 Å²	27	54.7 Å²	54.7	12%	0.118	28%	0.278	C	S	.	.			trans	-134.6	122.6	177.2	-169.6	-83.2	0	0	0	110	L28 Q29 Y32 P591 V605	L28-F600 HydrophobicContact CB-CE2 4.46Å; L28-F600 HydrophobicContact CB-CZ 4.17Å; Q29-F600 HydrophobicContact CB-CD1 3.82Å; Q29-F600 HydrophobicContact CB-CE1 3.61Å; Q29-F600 HydrophobicContact CB-CE2 4.45Å; Q29-F600 HydrophobicContact CB-CG 4.33Å; Q29-F600 HydrophobicContact CB-CZ 3.94Å; Q29-F600 HydrophobicContact CG-CB 4.47Å; Q29-F600 HydrophobicContact CG-CD1 3.72Å; Q29-F600 HydrophobicContact CG-CE1 4.06Å; Q29-F600 HydrophobicContact CG-CG 4.09Å; Y32-F600 HydrophobicContact CD1-CB 4.03Å; Y32-F600 AromaticContact CD1-CD2 3.72Å; Y32-F600 HydrophobicContact CD1-CD2 3.72Å; Y32-F600 HydrophobicContact CD1-CG 4.34Å; Y32-F600 HydrophobicContact CE1-CB 4.28Å; Y32-F600 HydrophobicContact CE1-CD2 4.36Å; Y32-F600 AromaticContact CG-CD2 3.9Å; Y32-F600 HydrophobicContact CG-CD2 3.9Å; Y32-F600 HydrophobicContact CG-CE2 4.49Å; P591-F600 HydrophobicContact CB-CD2 3.96Å; P591-F600 CarbonylContact O-C 3.59Å; P591-F600 WeakPolarHBondContact O-CA 3.23Å; F600-V605 HydrophobicContact CD2-CG2 4.46Å; F600-V605 HydrophobicContact CE1-CB 4.18Å; F600-V605 HydrophobicContact CE1-CG1 4.49Å; F600-V605 HydrophobicContact CE1-CG2 4.06Å; F600-V605 HydrophobicContact CE2-CG1 4.42Å; F600-V605 HydrophobicContact CE2-CG2 3.9Å; F600-V605 HydrophobicContact CZ-CB 3.88Å; F600-V605 HydrophobicContact CZ-CG1 3.78Å; F600-V605 HydrophobicContact CZ-CG2 3.68Å
601	S	94.6	Very high	89.2	Confident	42 Å²	42	56 Å²	56	29%	0.294	28%	0.283	S	S	.	.			trans	-105.3	110	176.6	171.4	0	0	0	0	109.3	P591 D603 L604 V605	P591-S601 PolarHBondContact O-N 2.79Å; S601-D603 VanDerWaalsContact C-N 3.31Å; S601-D603 PolarHBondContact O-N 3.42Å; S601-L604 PolarHBondContact O-N 2.86Å; S601-V605 WeakPolarHBondContact O-CG2 3.24Å; S601-V605 PolarHBondContact O-N 3.02Å
602	S	92.3	Very high	88.9	Confident	44 Å²	44	56.4 Å²	56.4	31%	0.308	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-37.3	-177.7	-58.2	0	0	0	0	112.4	V605 A606	S602-V605 PolarHBondContact O-N 3.4Å; S602-A606 VanDerWaalsContact O-CB 3.23Å; S602-A606 WeakPolarHBondContact O-CB 3.5Å; S602-A606 PolarHBondContact O-N 2.81Å
603	D	90.6	Very high	88.8	Confident	132 Å²	132	56.8 Å²	56.8	71%	0.706	29%	0.289	S	S	*	.	H	α-helix	trans	-67.3	-41.5	-179.6	-60.5	-33.2	0	0	0	112.6	S601 T607	S601-D603 VanDerWaalsContact C-N 3.31Å; S601-D603 PolarHBondContact O-N 3.42Å; D603-T607 WeakPolarHBondContact O-CB 3.11Å; D603-T607 PolarHBondContact O-N 3.48Å; D603-T607 VanDerWaalsContact O-N 3.08Å; D603-T607 PolarHBondContact O-OG1 3.34Å
604	L	90	Very high	89.1	Confident	19 Å²	19	52 Å²	52	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-42.9	176.4	178.8	66.2	0	0	0	111	K590 E593 S601 T607 Q608	K590-L604 HydrophobicContact CG-CD2 4.2Å; E593-L604 HydrophobicContact CG-CD1 4.33Å; E593-L604 HydrophobicContact CG-CD2 3.8Å; S601-L604 PolarHBondContact O-N 2.86Å; L604-T607 PolarHBondContact O-N 3.18Å; L604-Q608 PolarHBondContact O-N 3.28Å; L604-Q608 PolarHBondContact O-NE2 3.27Å
605	V	93.4	Very high	89.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.2	-34.9	179.3	178	0	0	0	0	111.4	L25 L28 I589 F600 S601 S602 T607 Q608 A609	L25-V605 HydrophobicContact CD2-CB 4.1Å; L25-V605 HydrophobicContact CD2-CG1 3.72Å; L28-V605 HydrophobicContact CD1-CG1 4.21Å; I589-V605 HydrophobicContact CG2-CB 4.41Å; I589-V605 HydrophobicContact CG2-CG1 3.89Å; I589-V605 HydrophobicContact CG2-CG2 3.95Å; F600-V605 HydrophobicContact CD2-CG2 4.46Å; F600-V605 HydrophobicContact CE1-CB 4.18Å; F600-V605 HydrophobicContact CE1-CG1 4.49Å; F600-V605 HydrophobicContact CE1-CG2 4.06Å; F600-V605 HydrophobicContact CE2-CG1 4.42Å; F600-V605 HydrophobicContact CE2-CG2 3.9Å; F600-V605 HydrophobicContact CZ-CB 3.88Å; F600-V605 HydrophobicContact CZ-CG1 3.78Å; F600-V605 HydrophobicContact CZ-CG2 3.68Å; S601-V605 WeakPolarHBondContact O-CG2 3.24Å; S601-V605 PolarHBondContact O-N 3.02Å; S602-V605 PolarHBondContact O-N 3.4Å; V605-T607 VanDerWaalsContact C-N 3.33Å; V605-T607 PolarHBondContact O-N 2.9Å; V605-Q608 PolarHBondContact O-N 2.86Å; V605-A609 VanDerWaalsContact O-CB 3.26Å; V605-A609 WeakPolarHBondContact O-CB 3.28Å; V605-A609 PolarHBondContact O-N 2.87Å
606	A	91.9	Very high	89.2	Confident	10 Å²	10	47.5 Å²	47.5	8%	0.083	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-48.9	170.9	0	0	0	0	0	111.1	L25 S602 Q608 A609 R610	L25-A606 HydrophobicContact CD1-CB 3.55Å; L25-A606 HydrophobicContact CD2-CB 4.12Å; L25-A606 HydrophobicContact CG-CB 4.45Å; S602-A606 VanDerWaalsContact O-CB 3.23Å; S602-A606 WeakPolarHBondContact O-CB 3.5Å; S602-A606 PolarHBondContact O-N 2.81Å; A606-Q608 PolarHBondContact O-N 3.08Å; A606-A609 PolarHBondContact O-N 2.73Å; A606-R610 PolarHBondContact O-N 3.37Å
607	T	88.1	Confident	89.2	Confident	36 Å²	36	42.6 Å²	42.6	22%	0.221	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-45.2	-179.8	-59.7	0	0	0	0	111.3	D603 L604 V605 R610 Y611	D603-T607 WeakPolarHBondContact O-CB 3.11Å; D603-T607 PolarHBondContact O-N 3.48Å; D603-T607 VanDerWaalsContact O-N 3.08Å; D603-T607 PolarHBondContact O-OG1 3.34Å; L604-T607 PolarHBondContact O-N 3.18Å; V605-T607 VanDerWaalsContact C-N 3.33Å; V605-T607 PolarHBondContact O-N 2.9Å; T607-R610 WeakPolarHBondContact O-CB 3.21Å; T607-R610 PolarHBondContact O-N 3.46Å; T607-R610 PolarHBondContact OG1-NH2 3.1Å; T607-Y611 HydrophobicContact CG2-CD1 4.46Å; T607-Y611 HydrophobicContact CG2-CD2 4.45Å; T607-Y611 HydrophobicContact CG2-CE1 3.68Å; T607-Y611 HydrophobicContact CG2-CE2 3.68Å; T607-Y611 WeakPolarHBondContact CG2-OH 3.39Å; T607-Y611 WeakPolarHBondContact O-CD1 3.44Å; T607-Y611 VanDerWaalsContact O-CG 3.24Å; T607-Y611 PolarHBondContact O-N 3.38Å
608	Q	90.4	Very high	89	Confident	3 Å²	3	34 Å²	34	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-35.5	174.6	-74	172.8	89.7	0	0	113.4	K590 L604 V605 A606 R610 Y611 L612	K590-Q608 PolarHBondContact O-NE2 2.95Å; L604-Q608 PolarHBondContact O-N 3.28Å; L604-Q608 PolarHBondContact O-NE2 3.27Å; V605-Q608 PolarHBondContact O-N 2.86Å; A606-Q608 PolarHBondContact O-N 3.08Å; Q608-R610 VanDerWaalsContact C-N 3.27Å; Q608-R610 PolarHBondContact O-N 3.03Å; Q608-Y611 PolarHBondContact O-N 2.94Å; Q608-L612 WeakPolarHBondContact O-CB 3.3Å; Q608-L612 VanDerWaalsContact O-CG 3.27Å; Q608-L612 WeakPolarHBondContact O-CG 3.27Å; Q608-L612 PolarHBondContact O-N 2.97Å
609	A	91.1	Very high	88.9	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-36.1	176.1	0	0	0	0	0	111.7	L24 V605 A606 G613 L614	L24-A609 HydrophobicContact CD2-CB 4.05Å; V605-A609 VanDerWaalsContact O-CB 3.26Å; V605-A609 WeakPolarHBondContact O-CB 3.28Å; V605-A609 PolarHBondContact O-N 2.87Å; A606-A609 PolarHBondContact O-N 2.73Å; A609-G613 PolarHBondContact O-N 2.67Å; A609-L614 HydrophobicContact CB-CD1 3.93Å; A609-L614 HydrophobicContact CB-CG 4.45Å; A609-L614 PolarHBondContact O-N 3.34Å
610	R	87.7	Confident	88.2	Confident	115 Å²	115	33.8 Å²	33.8	43%	0.434	17%	0.17	S	C	.	.	H	α-helix	trans	-66.3	-47	169.3	-74.5	-178.3	-89.8	121.4	-3.1	111.9	E21 A606 T607 Q608 L612 G613	E21-R610 IonicContact OE1-NE 2.98Å; E21-R610 PolarHBondContact OE1-NE 3.28Å; A606-R610 PolarHBondContact O-N 3.37Å; T607-R610 WeakPolarHBondContact O-CB 3.21Å; T607-R610 PolarHBondContact O-N 3.46Å; T607-R610 PolarHBondContact OG1-NH2 3.1Å; Q608-R610 VanDerWaalsContact C-N 3.27Å; Q608-R610 PolarHBondContact O-N 3.03Å; R610-L612 VanDerWaalsContact C-N 3.25Å; R610-L612 PolarHBondContact O-N 3.31Å; R610-G613 PolarHBondContact O-N 3.49Å
611	Y	85.6	Confident	87.5	Confident	30 Å²	30	34 Å²	34	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-33.8	178.4	-64.3	-5	0	0	0	113.3	F384 I386 Y508 A509 T607 Q608 G613	F384-Y611 HydrophobicContact CB-CG 4.46Å; F384-Y611 HydrophobicContact CD1-CD1 4.37Å; I386-Y611 WeakPolarHBondContact CB-OH 3.46Å; I386-Y611 HydrophobicContact CD1-CD1 4.3Å; I386-Y611 HydrophobicContact CD1-CE1 3.41Å; I386-Y611 VanDerWaalsContact CD1-CE1 3.41Å; I386-Y611 HydrophobicContact CG1-CE1 3.93Å; Y508-Y611 WeakPolarHBondContact CE2-O 3.21Å; Y508-Y611 VanDerWaalsContact CZ-O 3.24Å; Y508-Y611 PolarHBondContact OH-O 2.91Å; A509-Y611 HydrophobicContact CB-CD1 4.09Å; T607-Y611 HydrophobicContact CG2-CD1 4.46Å; T607-Y611 HydrophobicContact CG2-CD2 4.45Å; T607-Y611 HydrophobicContact CG2-CE1 3.68Å; T607-Y611 HydrophobicContact CG2-CE2 3.68Å; T607-Y611 WeakPolarHBondContact CG2-OH 3.39Å; T607-Y611 WeakPolarHBondContact O-CD1 3.44Å; T607-Y611 VanDerWaalsContact O-CG 3.24Å; T607-Y611 PolarHBondContact O-N 3.38Å; Q608-Y611 PolarHBondContact O-N 2.94Å; Y611-G613 VanDerWaalsContact C-N 3.32Å
612	L	88	Confident	86.6	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.042	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.9	178.3	-66.6	168.9	0	0	0	112.8	R587 I589 Q608 R610 L614	R587-L612 HydrophobicContact CB-CD1 4.23Å; R587-L612 HydrophobicContact CB-CD2 4.49Å; I589-L612 HydrophobicContact CD1-CD1 4.31Å; I589-L612 HydrophobicContact CG1-CD1 3.67Å; Q608-L612 WeakPolarHBondContact O-CB 3.3Å; Q608-L612 VanDerWaalsContact O-CG 3.27Å; Q608-L612 WeakPolarHBondContact O-CG 3.27Å; Q608-L612 PolarHBondContact O-N 2.97Å; R610-L612 VanDerWaalsContact C-N 3.25Å; R610-L612 PolarHBondContact O-N 3.31Å; L612-L614 VanDerWaalsContact C-N 3.28Å; L612-L614 HydrophobicContact CB-CD2 3.73Å; L612-L614 HydrophobicContact CB-CG 3.86Å; L612-L614 PolarHBondContact O-N 2.99Å
613	G	86.6	Confident	85.6	Confident	8 Å²	8	34.4 Å²	34.4	8%	0.082	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	34.8	-178.6	0	0	0	0	0	113.4	A609 R610 Y611 L615 E616 N617	A609-G613 PolarHBondContact O-N 2.67Å; R610-G613 PolarHBondContact O-N 3.49Å; Y611-G613 VanDerWaalsContact C-N 3.32Å; G613-L615 PolarHBondContact O-N 2.88Å; G613-E616 PolarHBondContact O-N 3.06Å; G613-N617 WeakPolarHBondContact O-CB 3.44Å; G613-N617 PolarHBondContact O-N 2.88Å
614	L	89.5	Confident	84.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-40.5	-170.5	-60	-177.4	0	0	0	112.6	L24 I41 I46 R587 I589 A609 L612 N617 V618	L24-L614 HydrophobicContact CD1-CB 4.08Å; I41-L614 HydrophobicContact CD1-CB 4.21Å; I41-L614 HydrophobicContact CD1-CD2 3.97Å; I46-L614 HydrophobicContact CD1-CD1 4.08Å; I46-L614 HydrophobicContact CD1-CD2 4.39Å; I46-L614 HydrophobicContact CG1-CD2 4.31Å; R587-L614 HydrophobicContact CB-CD2 4.06Å; R587-L614 HydrophobicContact CG-CD2 4.03Å; I589-L614 HydrophobicContact CD1-CD1 3.94Å; A609-L614 HydrophobicContact CB-CD1 3.93Å; A609-L614 HydrophobicContact CB-CG 4.45Å; A609-L614 PolarHBondContact O-N 3.34Å; L612-L614 VanDerWaalsContact C-N 3.28Å; L612-L614 HydrophobicContact CB-CD2 3.73Å; L612-L614 HydrophobicContact CB-CG 3.86Å; L612-L614 PolarHBondContact O-N 2.99Å; L614-N617 WeakPolarHBondContact O-CB 3.47Å; L614-N617 PolarHBondContact O-N 3.33Å; L614-V618 WeakPolarHBondContact O-CG2 3.27Å; L614-V618 PolarHBondContact O-N 2.91Å
615	L	86.6	Confident	84.3	Confident	33 Å²	33	29.8 Å²	29.8	17%	0.173	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-46	178.7	-115.6	76	0	0	0	111.7	L24 G613 N617 V618 R619	L24-L615 HydrophobicContact CB-CD1 4.18Å; L24-L615 HydrophobicContact CD1-CD1 3.65Å; L24-L615 HydrophobicContact CG-CD1 4.46Å; G613-L615 PolarHBondContact O-N 2.88Å; L615-N617 VanDerWaalsContact C-N 3.29Å; L615-N617 PolarHBondContact O-N 3.31Å; L615-V618 PolarHBondContact O-N 2.86Å; L615-R619 WeakPolarHBondContact O-CG 3.26Å; L615-R619 PolarHBondContact O-N 3.2Å
616	E	81.2	Confident	83.2	Confident	67 Å²	67	30.9 Å²	30.9	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-63.4	-38.2	177.1	-63	-51.1	137.9	0	0	111.3	G613 V618 R619 V620	G613-E616 PolarHBondContact O-N 3.06Å; E616-V618 VanDerWaalsContact C-N 3.34Å; E616-V618 PolarHBondContact O-N 3.11Å; E616-R619 PolarHBondContact O-N 3.07Å; E616-R619 IonicContact OE1-CZ 3.26Å; E616-R619 IonicContact OE1-NH1 2.94Å; E616-R619 PolarHBondContact OE1-NH1 2.87Å; E616-R619 IonicContact OE2-NH1 2.97Å; E616-V620 WeakPolarHBondContact O-CG2 2.94Å; E616-V620 PolarHBondContact O-N 2.97Å
617	N	84.3	Confident	82.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.011	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-46.9	173.7	-158.7	-58.3	0	0	0	111.6	I41 F408 G613 L614 L615 V620 R621	I41-N617 HydrophobicContact CD1-CB 4.31Å; I41-N617 HydrophobicContact CG2-CB 4.44Å; I41-N617 WeakPolarHBondContact CG2-OD1 3.35Å; F408-N617 WeakPolarHBondContact CE1-ND2 3.43Å; F408-N617 WeakPolarHBondContact CZ-ND2 3.47Å; G613-N617 WeakPolarHBondContact O-CB 3.44Å; G613-N617 PolarHBondContact O-N 2.88Å; L614-N617 WeakPolarHBondContact O-CB 3.47Å; L614-N617 PolarHBondContact O-N 3.33Å; L615-N617 VanDerWaalsContact C-N 3.29Å; L615-N617 PolarHBondContact O-N 3.31Å; N617-V620 PolarHBondContact O-N 2.67Å; N617-R621 WeakPolarHBondContact O-CB 3.36Å; N617-R621 WeakPolarHBondContact O-CG 3.37Å; N617-R621 PolarHBondContact O-N 2.95Å
618	V	85.7	Confident	82.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-41.1	176.3	179.3	0	0	0	0	111.1	L13 L19 I41 L614 L615 E616 R621 R622	L13-V618 HydrophobicContact CB-CG2 3.79Å; L13-V618 WeakPolarHBondContact O-CG1 3.39Å; L19-V618 HydrophobicContact CD1-CB 3.99Å; L19-V618 HydrophobicContact CD1-CG1 3.51Å; L19-V618 HydrophobicContact CD2-CB 4.31Å; L19-V618 HydrophobicContact CD2-CG1 3.79Å; L19-V618 HydrophobicContact CG-CG1 4.32Å; I41-V618 HydrophobicContact CB-CG2 4.39Å; I41-V618 HydrophobicContact CD1-CG2 3.94Å; I41-V618 HydrophobicContact CG1-CG2 3.86Å; I41-V618 HydrophobicContact CG2-CB 4.34Å; I41-V618 HydrophobicContact CG2-CG2 3.64Å; L614-V618 WeakPolarHBondContact O-CG2 3.27Å; L614-V618 PolarHBondContact O-N 2.91Å; L615-V618 PolarHBondContact O-N 2.86Å; E616-V618 VanDerWaalsContact C-N 3.34Å; E616-V618 PolarHBondContact O-N 3.11Å; V618-R621 PolarHBondContact O-N 3.04Å; V618-R622 HydrophobicContact CG1-CG 4.15Å; V618-R622 VanDerWaalsContact O-CB 3.29Å; V618-R622 WeakPolarHBondContact O-CB 3.29Å; V618-R622 VanDerWaalsContact O-CG 3.31Å; V618-R622 WeakPolarHBondContact O-CG 3.48Å; V618-R622 PolarHBondContact O-N 3.15Å
619	R	82.3	Confident	81.9	Confident	114 Å²	114	35.9 Å²	35.9	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-49.6	177.5	-72.7	176.7	-177.1	167.7	5.2	112	L19 L615 E616 R621 R622 A623	L19-R619 HydrophobicContact CD2-CG 3.71Å; L615-R619 WeakPolarHBondContact O-CG 3.26Å; L615-R619 PolarHBondContact O-N 3.2Å; E616-R619 PolarHBondContact O-N 3.07Å; E616-R619 IonicContact OE1-CZ 3.26Å; E616-R619 IonicContact OE1-NH1 2.94Å; E616-R619 PolarHBondContact OE1-NH1 2.87Å; E616-R619 IonicContact OE2-NH1 2.97Å; R619-R621 VanDerWaalsContact C-N 3.32Å; R619-R621 PolarHBondContact O-N 2.87Å; R619-R622 PolarHBondContact O-N 3.22Å; R619-A623 PolarHBondContact O-N 3.3Å
620	V	79.2	Confident	81.7	Confident	15 Å²	15	36.8 Å²	36.8	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-43.1	177.8	172.7	0	0	0	0	110.6	T412 L413 E616 N617	T412-V620 HydrophobicContact CG2-CG1 4.5Å; L413-V620 HydrophobicContact CD2-CG1 3.94Å; L413-V620 HydrophobicContact CG-CG1 4.31Å; E616-V620 WeakPolarHBondContact O-CG2 2.94Å; E616-V620 PolarHBondContact O-N 2.97Å; N617-V620 PolarHBondContact O-N 2.67Å
621	R	77.5	Confident	81.9	Confident	30 Å²	30	31.8 Å²	31.8	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-69.3	-34.7	177.8	-74.1	-65.7	-172.4	-164.5	-5.4	113.8	V14 I41 N43 T412 E416 N617 V618 R619	V14-R621 HydrophobicContact CG2-CB 4.04Å; I41-R621 HydrophobicContact CG2-CB 4.49Å; I41-R621 HydrophobicContact CG2-CG 4.3Å; N43-R621 PolarHBondContact ND2-NH2 3.12Å; N43-R621 VanDerWaalsContact OD1-CZ 3.31Å; N43-R621 PolarHBondContact OD1-NE 3.44Å; N43-R621 PolarHBondContact OD1-NH2 3.1Å; T412-R621 VanDerWaalsContact CG2-CZ 3.42Å; E416-R621 IonicContact OE1-NH1 3.52Å; E416-R621 PolarHBondContact OE1-NH1 2.86Å; N617-R621 WeakPolarHBondContact O-CB 3.36Å; N617-R621 WeakPolarHBondContact O-CG 3.37Å; N617-R621 PolarHBondContact O-N 2.95Å; V618-R621 PolarHBondContact O-N 3.04Å; R619-R621 VanDerWaalsContact C-N 3.32Å; R619-R621 PolarHBondContact O-N 2.87Å
622	R	76.3	Confident	82.1	Confident	58 Å²	58	31.3 Å²	31.3	22%	0.219	16%	0.162	C	C	.	.	H	α-helix	trans	-71.1	-30.1	176.5	-84.7	-173.9	-179.2	-155.5	-3.3	114.3	L13 V14 L15 L16 E17 V618 R619 G624	L13-R622 PolarHBondContact O-NH2 3.08Å; V14-R622 HydrophobicContact CG1-CG 3.77Å; V14-R622 PolarHBondContact O-NE 3.44Å; V14-R622 PolarHBondContact O-NH2 3.43Å; L15-R622 VanDerWaalsContact C-NH2 3.27Å; L16-R622 PolarHBondContact O-NH2 3.49Å; E17-R622 IonicContact OE2-CZ 2.75Å; E17-R622 IonicContact OE2-NH1 3.47Å; E17-R622 PolarHBondContact OE2-NH1 3.22Å; E17-R622 IonicContact OE2-NH2 2.74Å; V618-R622 HydrophobicContact CG1-CG 4.15Å; V618-R622 VanDerWaalsContact O-CB 3.29Å; V618-R622 WeakPolarHBondContact O-CB 3.29Å; V618-R622 VanDerWaalsContact O-CG 3.31Å; V618-R622 WeakPolarHBondContact O-CG 3.48Å; V618-R622 PolarHBondContact O-N 3.15Å; R619-R622 PolarHBondContact O-N 3.22Å; R622-G624 PolarHBondContact O-N 2.77Å
623	A	72.4	Confident	82	Confident	38 Å²	38	34.5 Å²	34.5	31%	0.314	18%	0.184	S	C	.	.	H	α-helix	trans	-68.9	-25.8	-177.8	0	0	0	0	0	112	V430 R619	V430-A623 HydrophobicContact CB-CB 4.01Å; V430-A623 HydrophobicContact CG1-CB 3.45Å; V430-A623 VanDerWaalsContact CG1-CB 3.45Å; V430-A623 HydrophobicContact CG2-CB 3.47Å; V430-A623 VanDerWaalsContact CG2-CB 3.47Å; R619-A623 PolarHBondContact O-N 3.3Å
624	G	74.4	Confident	82.1	Confident	12 Å²	12	34.2 Å²	34.2	12%	0.124	18%	0.18	C	C	.	.	S	Bend	trans	-89.2	-167.7	170.8	0	0	0	0	0	114.3	Y420 R622	Y420-G624 WeakPolarHBondContact OH-CA 2.94Å; R622-G624 PolarHBondContact O-N 2.77Å
625	Y	77.6	Confident	82.2	Confident	42 Å²	42	34.6 Å²	34.6	17%	0.165	18%	0.182	C	C	.	.			trans	-85.8	118.3	169.2	-65.8	-91.9	0	0	0	110.3	Y420 I425 H627 A672 F679 I680 R681	Y420-Y625 HydrophobicContact CD2-CD2 4.43Å; Y420-Y625 HydrophobicContact CD2-CE2 4.47Å; Y420-Y625 HydrophobicContact CE1-CD2 4.36Å; Y420-Y625 AromaticContact CE2-CD2 3.54Å; Y420-Y625 HydrophobicContact CE2-CD2 3.54Å; Y420-Y625 AromaticContact CE2-CE2 3.87Å; Y420-Y625 HydrophobicContact CE2-CE2 3.87Å; Y420-Y625 AromaticContact CZ-CD2 3.56Å; Y420-Y625 PolarHBondContact OH-N 2.75Å; I425-Y625 HydrophobicContact CG2-CD2 4.27Å; I425-Y625 HydrophobicContact CG2-CE2 3.49Å; I425-Y625 VanDerWaalsContact CG2-CE2 3.49Å; Y625-H627 VanDerWaalsContact C-N 3.3Å; Y625-H627 PolarHBondContact O-N 3.17Å; Y625-A672 HydrophobicContact CD1-CB 4.37Å; Y625-A672 HydrophobicContact CE1-CB 3.42Å; Y625-A672 VanDerWaalsContact CE1-CB 3.42Å; Y625-A672 HydrophobicContact CE2-CB 4.27Å; Y625-A672 WeakPolarHBondContact OH-CB 3.49Å; Y625-F679 HydrophobicContact CD1-CB 3.62Å; Y625-F679 HydrophobicContact CD2-CB 4.2Å; Y625-F679 HydrophobicContact CD2-CD1 4.15Å; Y625-F679 HydrophobicContact CE1-CB 4.16Å; Y625-F679 HydrophobicContact CG-CB 3.67Å; Y625-F679 HydrophobicContact CG-CD1 4.08Å; Y625-F679 HydrophobicContact CG-CG 4.33Å; Y625-I680 CarbonylContact C-O 3.59Å; Y625-R681 HydrophobicContact CD1-CB 3.88Å; Y625-R681 HydrophobicContact CD1-CG 4.44Å; Y625-R681 HydrophobicContact CE1-CB 4.13Å
626	A	71.4	Confident	82.3	Confident	22 Å²	22	39.7 Å²	39.7	18%	0.182	21%	0.205	C	C	.	.	S	Bend	trans	-64	-29.1	-175.8	0	0	0	0	0	114.6	V14 I680 R681 P683	V14-A626 HydrophobicContact CG1-CB 4.06Å; A626-I680 PolarHBondContact N-O 3.16Å; A626-R681 VanDerWaalsContact CB-O 3.27Å; A626-R681 WeakPolarHBondContact CB-O 3.45Å; A626-R681 PolarHBondContact N-O 2.85Å; A626-R681 VanDerWaalsContact N-O 3.12Å; A626-P683 HydrophobicContact CB-CB 4.41Å; A626-P683 VanDerWaalsContact CB-CD 3.48Å; A626-P683 HydrophobicContact CB-CG 3.66Å
627	H	77.1	Confident	82.6	Confident	32 Å²	32	38.5 Å²	38.5	15%	0.148	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.3	-179.5	-173.6	80.1	0	0	0	112.4	Y71 Y625 I680 L686	Y71-H627 AromaticContact CD2-ND1 3.95Å; Y625-H627 VanDerWaalsContact C-N 3.3Å; Y625-H627 PolarHBondContact O-N 3.17Å; H627-I680 HydrophobicContact CB-CB 4.3Å; H627-I680 PolarHBondContact N-O 2.87Å; H627-I680 VanDerWaalsContact N-O 3.08Å; H627-I680 PolarHBondContact O-N 3.01Å; H627-L686 HydrophobicContact CB-CD2 3.96Å
628	R	82.6	Confident	82.9	Confident	72 Å²	72	38.7 Å²	38.7	27%	0.272	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.1	176.6	58.7	-177.4	172.8	-91.5	10.2	111.4	E416 I678 F679	E416-R628 IonicContact OE1-CZ 3.62Å; E416-R628 VanDerWaalsContact OE1-CZ 3.26Å; E416-R628 IonicContact OE1-NH1 3.84Å; E416-R628 PolarHBondContact OE1-NH1 3.37Å; E416-R628 IonicContact OE1-NH2 3.81Å; E416-R628 PolarHBondContact OE1-NH2 2.98Å; E416-R628 IonicContact OE2-NH1 2.83Å; E416-R628 PolarHBondContact OE2-NH1 3.17Å; R628-I678 VanDerWaalsContact CA-O 3.29Å; R628-I678 WeakPolarHBondContact CA-O 3.39Å; R628-F679 HydrophobicContact CB-CD1 3.92Å; R628-F679 HydrophobicContact CB-CE1 3.94Å; R628-F679 HydrophobicContact CB-CG 4.39Å; R628-F679 HydrophobicContact CB-CZ 4.41Å
629	Q	83.4	Confident	83.2	Confident	50 Å²	50	42.3 Å²	42.3	23%	0.234	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.1	178.6	-164.6	174.3	14.7	0	0	110.9	P633 F634 K677 I678	Q629-P633 HydrophobicContact CG-CB 4.4Å; Q629-F634 HydrophobicContact CB-CB 4.38Å; Q629-F634 HydrophobicContact CB-CD2 4.2Å; Q629-F634 HydrophobicContact CG-CB 4.28Å; Q629-K677 CarbonylContact O-C 3.6Å; Q629-K677 WeakPolarHBondContact O-CA 3.5Å; Q629-K677 VanDerWaalsContact O-CB 3.3Å; Q629-K677 WeakPolarHBondContact O-CB 3.41Å; Q629-I678 PolarHBondContact N-O 3.4Å; Q629-I678 VanDerWaalsContact N-O 3.14Å; Q629-I678 WeakPolarHBondContact O-CG2 3.36Å; Q629-I678 PolarHBondContact O-N 3.23Å
630	G	87.3	Confident	83.6	Confident	24 Å²	24	37.3 Å²	37.3	25%	0.247	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	145.1	170.9	0	0	0	0	0	111.5	G632 P633 F634	G630-G632 PolarHBondContact O-N 3.48Å; G630-P633 WeakPolarHBondContact O-CD 3.39Å; G630-F634 WeakPolarHBondContact O-CB 3.47Å; G630-F634 PolarHBondContact O-N 3.03Å; G630-F634 VanDerWaalsContact O-N 3.13Å
631	Y	91.7	Very high	84.2	Confident	11 Å²	11	38 Å²	38	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-42.7	-175.3	-68.4	-64.9	0	0	0	113.4	F634 L635 R654 V657 F673 G674 T676 K677 I678	Y631-F634 PolarHBondContact O-N 3.38Å; Y631-L635 VanDerWaalsContact O-CB 3.29Å; Y631-L635 WeakPolarHBondContact O-CB 3.32Å; Y631-L635 PolarHBondContact O-N 2.93Å; Y631-R654 HydrophobicContact CD1-CB 4.2Å; Y631-R654 HydrophobicContact CD1-CG 4.39Å; Y631-R654 HydrophobicContact CD2-CB 3.88Å; Y631-R654 HydrophobicContact CD2-CG 4.37Å; Y631-R654 HydrophobicContact CE1-CB 4.27Å; Y631-R654 HydrophobicContact CE1-CG 3.97Å; Y631-R654 HydrophobicContact CE2-CB 3.96Å; Y631-R654 HydrophobicContact CE2-CG 3.96Å; Y631-R654 HydrophobicContact CG-CB 4.01Å; Y631-V657 HydrophobicContact CD1-CB 3.91Å; Y631-V657 HydrophobicContact CD1-CG1 4.13Å; Y631-V657 HydrophobicContact CD1-CG2 3.87Å; Y631-V657 HydrophobicContact CE1-CB 4.47Å; Y631-V657 HydrophobicContact CE1-CG1 4.39Å; Y631-F673 AromaticContact CE1-CD1 3.95Å; Y631-F673 HydrophobicContact CE1-CD1 3.95Å; Y631-F673 WeakPolarHBondContact OH-CA 3.27Å; Y631-F673 WeakPolarHBondContact OH-CB 3.32Å; Y631-G674 WeakPolarHBondContact CE2-O 3.49Å; Y631-G674 PolarHBondContact OH-N 3.13Å; Y631-G674 PolarHBondContact OH-O 3.24Å; Y631-T676 WeakPolarHBondContact CD2-O 3.24Å; Y631-T676 PolarHBondContact N-O 3.1Å; Y631-K677 VanDerWaalsContact CZ-C 3.49Å; Y631-K677 PolarHBondContact OH-O 3.28Å; Y631-K677 VanDerWaalsContact OH-O 3.11Å; Y631-I678 HydrophobicContact CD1-CB 4.16Å; Y631-I678 HydrophobicContact CE1-CB 3.79Å
632	G	88.9	Confident	84.8	Confident	20 Å²	20	36.6 Å²	36.6	21%	0.206	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-59.3	-179.8	0	0	0	0	0	113.5	G630 F634 L635 E636 D653	G630-G632 PolarHBondContact O-N 3.48Å; G632-F634 VanDerWaalsContact C-N 3.29Å; G632-F634 PolarHBondContact O-N 3.41Å; G632-L635 PolarHBondContact O-N 2.92Å; G632-E636 PolarHBondContact O-N 3.38Å; G632-D653 WeakPolarHBondContact CA-OD2 3.28Å; G632-D653 PolarHBondContact N-OD2 3.25Å
633	P	86.5	Confident	85.2	Confident	75 Å²	75	44.1 Å²	44.1	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-58.3	-37.8	176	-27.2	35.1	0	0	0	113.7	Q629 G630 R637	Q629-P633 HydrophobicContact CG-CB 4.4Å; G630-P633 WeakPolarHBondContact O-CD 3.39Å; P633-R637 WeakPolarHBondContact O-CB 2.97Å; P633-R637 PolarHBondContact O-N 2.9Å; P633-R637 VanDerWaalsContact O-N 3.15Å
634	F	88.9	Confident	86	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-46.3	177.1	-172.2	-83.4	0	0	0	111.1	Q629 G630 Y631 G632 R637 Y638 V657 L661 I678 I680 L689	Q629-F634 HydrophobicContact CB-CB 4.38Å; Q629-F634 HydrophobicContact CB-CD2 4.2Å; Q629-F634 HydrophobicContact CG-CB 4.28Å; G630-F634 WeakPolarHBondContact O-CB 3.47Å; G630-F634 PolarHBondContact O-N 3.03Å; G630-F634 VanDerWaalsContact O-N 3.13Å; Y631-F634 PolarHBondContact O-N 3.38Å; G632-F634 VanDerWaalsContact C-N 3.29Å; G632-F634 PolarHBondContact O-N 3.41Å; F634-R637 PolarHBondContact O-N 3.5Å; F634-Y638 AromaticContact CD1-CD2 3.72Å; F634-Y638 HydrophobicContact CD1-CD2 3.72Å; F634-Y638 HydrophobicContact CD1-CE2 4.41Å; F634-Y638 AromaticContact CD2-CD2 3.76Å; F634-Y638 HydrophobicContact CD2-CD2 3.76Å; F634-Y638 AromaticContact CD2-CE2 3.61Å; F634-Y638 HydrophobicContact CD2-CE2 3.61Å; F634-Y638 AromaticContact CE1-CD2 3.58Å; F634-Y638 HydrophobicContact CE1-CD2 3.58Å; F634-Y638 HydrophobicContact CE1-CE2 4.25Å; F634-Y638 HydrophobicContact CE1-CG 4.37Å; F634-Y638 AromaticContact CE2-CD2 3.62Å; F634-Y638 HydrophobicContact CE2-CD2 3.62Å; F634-Y638 AromaticContact CE2-CE2 3.39Å; F634-Y638 HydrophobicContact CE2-CE2 3.39Å; F634-Y638 AromaticContact CG-CD2 3.83Å; F634-Y638 HydrophobicContact CG-CD2 3.83Å; F634-Y638 HydrophobicContact CG-CE2 4.14Å; F634-Y638 AromaticContact CZ-CD2 3.54Å; F634-Y638 HydrophobicContact CZ-CD2 3.54Å; F634-Y638 AromaticContact CZ-CE2 3.75Å; F634-Y638 HydrophobicContact CZ-CE2 3.75Å; F634-Y638 HydrophobicContact CZ-CG 4.46Å; F634-Y638 WeakPolarHBondContact O-CD2 3.35Å; F634-Y638 PolarHBondContact O-N 3.16Å; F634-V657 HydrophobicContact CB-CG2 4.37Å; F634-V657 HydrophobicContact CD1-CB 4.22Å; F634-V657 HydrophobicContact CD1-CG1 3.6Å; F634-V657 HydrophobicContact CD1-CG2 3.6Å; F634-V657 HydrophobicContact CE1-CG1 3.63Å; F634-V657 HydrophobicContact CE1-CG2 4.39Å; F634-V657 HydrophobicContact CG-CG2 4.39Å; F634-L661 HydrophobicContact CE1-CD1 4.36Å; F634-L661 HydrophobicContact CE1-CD2 4.27Å; F634-L661 HydrophobicContact CE1-CG 4.37Å; F634-L661 HydrophobicContact CZ-CD1 4.46Å; F634-L661 HydrophobicContact CZ-CD2 4.12Å; F634-I678 HydrophobicContact CB-CG2 4.17Å; F634-I678 HydrophobicContact CD1-CG2 4.24Å; F634-I678 HydrophobicContact CD2-CG2 3.54Å; F634-I678 HydrophobicContact CE2-CG2 3.91Å; F634-I678 HydrophobicContact CG-CG2 3.72Å; F634-I678 HydrophobicContact CZ-CG2 4.39Å; F634-I680 HydrophobicContact CE2-CD1 3.93Å; F634-I680 HydrophobicContact CZ-CD1 4.34Å; F634-L689 HydrophobicContact CE2-CD1 4.32Å; F634-L689 HydrophobicContact CZ-CD1 3.8Å
635	L	91.4	Very high	86.7	Confident	9 Å²	9	44 Å²	44	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-45.3	178.9	-177.2	59	0	0	0	111.4	Y631 G632 R637 Y638 R639 T645 W649 V657 V660	Y631-L635 VanDerWaalsContact O-CB 3.29Å; Y631-L635 WeakPolarHBondContact O-CB 3.32Å; Y631-L635 PolarHBondContact O-N 2.93Å; G632-L635 PolarHBondContact O-N 2.92Å; L635-R637 PolarHBondContact O-N 2.96Å; L635-Y638 PolarHBondContact O-N 3.49Å; L635-R639 HydrophobicContact CD1-CB 4.02Å; L635-R639 HydrophobicContact CG-CB 4.43Å; L635-R639 WeakPolarHBondContact O-CA 3.33Å; L635-R639 WeakPolarHBondContact O-CB 3.29Å; L635-R639 VanDerWaalsContact O-CG 3.31Å; L635-R639 WeakPolarHBondContact O-CG 3.38Å; L635-R639 PolarHBondContact O-N 3.47Å; L635-T645 HydrophobicContact CD1-CG2 4.33Å; L635-W649 HydrophobicContact CD2-CB 4.45Å; L635-W649 HydrophobicContact CD2-CG 4.11Å; L635-V657 HydrophobicContact CB-CG2 3.87Å; L635-V657 HydrophobicContact CD1-CG2 4.49Å; L635-V660 HydrophobicContact CD1-CG2 4.01Å
636	E	88.9	Confident	87.3	Confident	139 Å²	139	46.4 Å²	46.4	65%	0.65	22%	0.224	S	C	*	.	H	α-helix	trans	-57	-39.1	177.7	-173.5	173.6	-164.1	0	0	111.6	G632	G632-E636 PolarHBondContact O-N 3.38Å
637	R	87.6	Confident	88.1	Confident	43 Å²	43	48.7 Å²	48.7	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-70.1	-44.8	178.7	-172.9	174.4	-174.8	89.8	-1.8	113.2	E72 P633 F634 L635 E690 R693	E72-R637 IonicContact OE1-CZ 3.25Å; E72-R637 VanDerWaalsContact OE1-CZ 3.31Å; E72-R637 IonicContact OE1-NH1 2.74Å; E72-R637 PolarHBondContact OE1-NH1 2.85Å; E72-R637 IonicContact OE1-NH2 3.3Å; P633-R637 WeakPolarHBondContact O-CB 2.97Å; P633-R637 PolarHBondContact O-N 2.9Å; P633-R637 VanDerWaalsContact O-N 3.15Å; F634-R637 PolarHBondContact O-N 3.5Å; L635-R637 PolarHBondContact O-N 2.96Å; R637-E690 IonicContact CZ-OE1 2.68Å; R637-E690 VanDerWaalsContact CZ-OE1 3.28Å; R637-E690 IonicContact CZ-OE2 2.66Å; R637-E690 IonicContact NE-OE1 2.89Å; R637-E690 PolarHBondContact NE-OE1 3.24Å; R637-E690 IonicContact NE-OE2 2.62Å; R637-E690 IonicContact NH2-OE1 3.66Å; R637-E690 PolarHBondContact NH2-OE1 3.45Å; R637-E690 IonicContact NH2-OE2 2.82Å; R637-E690 PolarHBondContact NH2-OE2 3.45Å; R637-R693 WeakPolarHBondContact O-CD 3.03Å; R637-R693 PolarHBondContact O-NE 3.14Å
638	Y	90	Very high	88.6	Confident	5 Å²	5	54 Å²	54	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-108.2	-4.1	-168.8	-60.2	-65.4	0	0	0	115.4	F634 L635 L640 L641 L689 E690 R693	F634-Y638 AromaticContact CD1-CD2 3.72Å; F634-Y638 HydrophobicContact CD1-CD2 3.72Å; F634-Y638 HydrophobicContact CD1-CE2 4.41Å; F634-Y638 AromaticContact CD2-CD2 3.76Å; F634-Y638 HydrophobicContact CD2-CD2 3.76Å; F634-Y638 AromaticContact CD2-CE2 3.61Å; F634-Y638 HydrophobicContact CD2-CE2 3.61Å; F634-Y638 AromaticContact CE1-CD2 3.58Å; F634-Y638 HydrophobicContact CE1-CD2 3.58Å; F634-Y638 HydrophobicContact CE1-CE2 4.25Å; F634-Y638 HydrophobicContact CE1-CG 4.37Å; F634-Y638 AromaticContact CE2-CD2 3.62Å; F634-Y638 HydrophobicContact CE2-CD2 3.62Å; F634-Y638 AromaticContact CE2-CE2 3.39Å; F634-Y638 HydrophobicContact CE2-CE2 3.39Å; F634-Y638 AromaticContact CG-CD2 3.83Å; F634-Y638 HydrophobicContact CG-CD2 3.83Å; F634-Y638 HydrophobicContact CG-CE2 4.14Å; F634-Y638 AromaticContact CZ-CD2 3.54Å; F634-Y638 HydrophobicContact CZ-CD2 3.54Å; F634-Y638 AromaticContact CZ-CE2 3.75Å; F634-Y638 HydrophobicContact CZ-CE2 3.75Å; F634-Y638 HydrophobicContact CZ-CG 4.46Å; F634-Y638 WeakPolarHBondContact O-CD2 3.35Å; F634-Y638 PolarHBondContact O-N 3.16Å; L635-Y638 PolarHBondContact O-N 3.49Å; Y638-L640 PolarHBondContact O-N 3.37Å; Y638-L641 HydrophobicContact CD1-CD1 3.89Å; Y638-L641 HydrophobicContact CG-CD1 4.34Å; Y638-L641 WeakPolarHBondContact O-CB 3.26Å; Y638-L641 VanDerWaalsContact O-CG 3.28Å; Y638-L641 WeakPolarHBondContact O-CG 3.48Å; Y638-L641 PolarHBondContact O-N 3.24Å; Y638-L689 HydrophobicContact CD1-CB 4.27Å; Y638-L689 HydrophobicContact CE1-CB 3.88Å; Y638-E690 VanDerWaalsContact CE1-OE1 3.23Å; Y638-E690 WeakPolarHBondContact CE1-OE1 3.3Å; Y638-E690 PolarHBondContact OH-OE1 2.87Å; Y638-R693 HydrophobicContact CD1-CB 4.34Å; Y638-R693 HydrophobicContact CD1-CG 4.5Å
639	R	91.1	Very high	88.9	Confident	77 Å²	77	53 Å²	53	29%	0.291	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-53.9	-26.5	177.5	61.2	178.2	-177.5	172.2	1.4	114.1	L635 L641 S642 T645 W646 P647	L635-R639 HydrophobicContact CD1-CB 4.02Å; L635-R639 HydrophobicContact CG-CB 4.43Å; L635-R639 WeakPolarHBondContact O-CA 3.33Å; L635-R639 WeakPolarHBondContact O-CB 3.29Å; L635-R639 VanDerWaalsContact O-CG 3.31Å; L635-R639 WeakPolarHBondContact O-CG 3.38Å; L635-R639 PolarHBondContact O-N 3.47Å; R639-L641 PolarHBondContact O-N 2.97Å; R639-S642 PolarHBondContact O-N 3.43Å; R639-T645 PolarHBondContact O-OG1 3.09Å; R639-W646 HydrophobicContact CG-CE3 4.3Å; R639-W646 PolarHBondContact O-N 3.32Å; R639-P647 PolarHBondContact NH1-O 2.96Å
640	L	91.4	Very high	89.1	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.047	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-67.2	-18.6	178.8	65	91.2	0	0	0	113.8	Y638 W646 R693 R696 L697	Y638-L640 PolarHBondContact O-N 3.37Å; L640-W646 VanDerWaalsContact CA-CE3 3.44Å; L640-W646 HydrophobicContact CB-CD2 4.08Å; L640-W646 HydrophobicContact CB-CE3 3.46Å; L640-W646 VanDerWaalsContact CB-CE3 3.46Å; L640-W646 HydrophobicContact CB-CH2 4.41Å; L640-W646 HydrophobicContact CB-CZ3 3.65Å; L640-R693 HydrophobicContact CD1-CG 3.91Å; L640-R693 HydrophobicContact CD2-CG 4.01Å; L640-R693 HydrophobicContact CG-CG 4.26Å; L640-R696 HydrophobicContact CB-CG 4.5Å; L640-R696 HydrophobicContact CD1-CB 3.45Å; L640-R696 VanDerWaalsContact CD1-CB 3.45Å; L640-R696 HydrophobicContact CD1-CG 3.26Å; L640-R696 HydrophobicContact CG-CG 4.48Å; L640-R696 VanDerWaalsContact O-CG 3.28Å; L640-R696 WeakPolarHBondContact O-CG 2.98Å; L640-R696 PolarHBondContact O-NE 2.98Å; L640-R696 VanDerWaalsContact O-NE 3.15Å; L640-L697 HydrophobicContact CD2-CD2 4.03Å; L640-L697 HydrophobicContact CD2-CG 4.49Å
641	L	91.4	Very high	89.2	Confident	29 Å²	29	58.6 Å²	58.6	15%	0.152	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-73.5	-36.6	-179.5	-64	-175.4	0	0	0	112.9	Y638 R639 V660 L664 L689 Q692 R693 R696	Y638-L641 HydrophobicContact CD1-CD1 3.89Å; Y638-L641 HydrophobicContact CG-CD1 4.34Å; Y638-L641 WeakPolarHBondContact O-CB 3.26Å; Y638-L641 VanDerWaalsContact O-CG 3.28Å; Y638-L641 WeakPolarHBondContact O-CG 3.48Å; Y638-L641 PolarHBondContact O-N 3.24Å; R639-L641 PolarHBondContact O-N 2.97Å; L641-V660 HydrophobicContact CB-CG1 4.27Å; L641-V660 HydrophobicContact CD1-CG1 4.49Å; L641-L664 HydrophobicContact CB-CD1 4.39Å; L641-L664 HydrophobicContact CD1-CD1 3.89Å; L641-L689 HydrophobicContact CD1-CD2 4.13Å; L641-Q692 HydrophobicContact CD1-CB 4.3Å; L641-Q692 HydrophobicContact CD2-CB 3.65Å; L641-Q692 WeakPolarHBondContact CD2-O 3.3Å; L641-R693 VanDerWaalsContact CD2-CA 3.47Å; L641-R693 HydrophobicContact CD2-CB 4.09Å; L641-R693 VanDerWaalsContact CD2-N 3.32Å; L641-R696 HydrophobicContact CD2-CB 4.25Å
642	S	89.9	Confident	89.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-97.8	144.1	-178.7	148.7	0	0	0	0	110.8	R639 S644 T645 W646 E663	R639-S642 PolarHBondContact O-N 3.43Å; S642-S644 VanDerWaalsContact C-N 3.32Å; S642-S644 PolarHBondContact OG-N 3.21Å; S642-S644 VanDerWaalsContact OG-N 3.15Å; S642-S644 PolarHBondContact OG-OG 3.25Å; S642-T645 VanDerWaalsContact CB-OG1 3.27Å; S642-T645 WeakPolarHBondContact CB-OG1 3.26Å; S642-T645 PolarHBondContact OG-N 2.8Å; S642-T645 PolarHBondContact OG-OG1 3.27Å; S642-W646 VanDerWaalsContact O-CB 3.31Å; S642-W646 WeakPolarHBondContact O-CB 3.44Å; S642-W646 PolarHBondContact O-N 3.43Å; S642-E663 WeakPolarHBondContact CA-OE2 3.23Å; S642-E663 WeakPolarHBondContact CB-OE2 3.36Å; S642-E663 PolarHBondContact OG-OE1 3.1Å; S642-E663 PolarHBondContact OG-OE2 3.13Å
643	R	86.3	Confident	89.3	Confident	216 Å²	216	63.2 Å²	63.2	82%	0.815	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-24.1	177.5	-65.2	-175.5	-174.5	178	4	112.2	E663	R643-E663 PolarHBondContact N-OE2 3.21Å
644	S	87.2	Confident	89.6	Confident	49 Å²	49	64.5 Å²	64.5	34%	0.343	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-25.4	-179.5	61.5	0	0	0	0	113.1	S642 E663	S642-S644 VanDerWaalsContact C-N 3.32Å; S642-S644 PolarHBondContact OG-N 3.21Å; S642-S644 VanDerWaalsContact OG-N 3.15Å; S642-S644 PolarHBondContact OG-OG 3.25Å; S644-E663 VanDerWaalsContact CB-OE1 3.31Å; S644-E663 WeakPolarHBondContact CB-OE1 3.22Å; S644-E663 PolarHBondContact OG-OE1 3.2Å
645	T	90.7	Very high	89.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-18.5	-179.7	53.5	0	0	0	0	113.9	L635 R639 S642 H648 W649 K659 V660	L635-T645 HydrophobicContact CD1-CG2 4.33Å; R639-T645 PolarHBondContact O-OG1 3.09Å; S642-T645 VanDerWaalsContact CB-OG1 3.27Å; S642-T645 WeakPolarHBondContact CB-OG1 3.26Å; S642-T645 PolarHBondContact OG-N 2.8Å; S642-T645 PolarHBondContact OG-OG1 3.27Å; T645-H648 CarbonylContact O-C 3.59Å; T645-W649 HydrophobicContact CG2-CD2 3.98Å; T645-W649 HydrophobicContact CG2-CE3 3.69Å; T645-W649 HydrophobicContact CG2-CG 4.46Å; T645-W649 HydrophobicContact CG2-CZ3 4.14Å; T645-K659 HydrophobicContact CG2-CB 4.36Å; T645-V660 HydrophobicContact CG2-CG2 3.93Å; T645-V660 WeakPolarHBondContact OG1-CG2 3.46Å
646	W	89.9	Confident	89.8	Confident	91 Å²	91	68.2 Å²	68.2	35%	0.345	33%	0.334	S	S	.	.	S	Bend	trans	-91.5	136.9	175.4	-175.1	-100.5	0	0	0	112.5	R639 L640 S642 L700	R639-W646 HydrophobicContact CG-CE3 4.3Å; R639-W646 PolarHBondContact O-N 3.32Å; L640-W646 VanDerWaalsContact CA-CE3 3.44Å; L640-W646 HydrophobicContact CB-CD2 4.08Å; L640-W646 HydrophobicContact CB-CE3 3.46Å; L640-W646 VanDerWaalsContact CB-CE3 3.46Å; L640-W646 HydrophobicContact CB-CH2 4.41Å; L640-W646 HydrophobicContact CB-CZ3 3.65Å; S642-W646 VanDerWaalsContact O-CB 3.31Å; S642-W646 WeakPolarHBondContact O-CB 3.44Å; S642-W646 PolarHBondContact O-N 3.43Å; W646-L700 HydrophobicContact CH2-CD1 4.02Å; W646-L700 HydrophobicContact CZ2-CD1 3.81Å; W646-L700 HydrophobicContact CZ2-CD2 3.99Å
647	P	88	Confident	90	Very high	70 Å²	70	61.6 Å²	61.6	46%	0.455	30%	0.303	S	S	.	.	S	Bend	cis	-90.9	-17.7	1.3	31.4	-29.5	0	0	0	114.5	R639	R639-P647 PolarHBondContact NH1-O 2.96Å
648	H	87.3	Confident	90.2	Very high	145 Å²	145	63 Å²	63	67%	0.671	31%	0.312	S	S	*	.			trans	-130.2	138.8	-177.9	-62.8	59.4	0	0	0	108.4	T645	T645-H648 CarbonylContact O-C 3.59Å
649	W	89.6	Confident	90.2	Very high	50 Å²	50	66.8 Å²	66.8	19%	0.189	33%	0.328	C	S	.	.			trans	-117.5	128.6	175.3	178.3	-107.4	0	0	0	108.5	L635 T645 G651 G652 E655 K659	L635-W649 HydrophobicContact CD2-CB 4.45Å; L635-W649 HydrophobicContact CD2-CG 4.11Å; T645-W649 HydrophobicContact CG2-CD2 3.98Å; T645-W649 HydrophobicContact CG2-CE3 3.69Å; T645-W649 HydrophobicContact CG2-CG 4.46Å; T645-W649 HydrophobicContact CG2-CZ3 4.14Å; W649-G651 PolarHBondContact NE1-O 3.26Å; W649-G652 PolarHBondContact NE1-O 2.82Å; W649-E655 HydrophobicContact CZ2-CB 4.17Å; W649-E655 HydrophobicContact CZ2-CG 4.03Å; W649-K659 HydrophobicContact CH2-CD 3.61Å; W649-K659 HydrophobicContact CH2-CG 4.48Å; W649-K659 HydrophobicContact CZ3-CD 3.98Å
650	N	86.4	Confident	90.2	Very high	159 Å²	159	63.2 Å²	63.2	85%	0.85	32%	0.315	S	S	*	.			trans	-110.4	-0.7	-175.9	-60.5	-22.3	0	0	0	112.7
651	G	89.6	Confident	90.1	Very high	33 Å²	33	63 Å²	63	34%	0.34	31%	0.314	S	S	.	.	S	Bend	trans	-88	-172.9	175	0	0	0	0	0	112.1	W649	W649-G651 PolarHBondContact NE1-O 3.26Å
652	G	91.4	Very high	89.9	Confident	43 Å²	43	64 Å²	64	44%	0.443	33%	0.331	S	S	.	.			trans	-69.5	151	175	0	0	0	0	0	112.5	W649 R654 E655 G656	W649-G652 PolarHBondContact NE1-O 2.82Å; G652-R654 VanDerWaalsContact C-N 3.33Å; G652-R654 PolarHBondContact O-N 3.15Å; G652-E655 PolarHBondContact O-N 2.68Å; G652-G656 PolarHBondContact O-N 3.45Å
653	D	92.4	Very high	89.7	Confident	84 Å²	84	68.4 Å²	68.4	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-56.8	-45.7	-177.9	-69.5	-12.1	0	0	0	112.1	G632 E655 G656 V657	G632-D653 WeakPolarHBondContact CA-OD2 3.28Å; G632-D653 PolarHBondContact N-OD2 3.25Å; D653-E655 PolarHBondContact O-N 2.77Å; D653-G656 PolarHBondContact O-N 3.46Å; D653-V657 WeakPolarHBondContact O-CG2 3.44Å; D653-V657 PolarHBondContact O-N 3Å
654	R	93.1	Very high	89.6	Confident	103 Å²	103	59.4 Å²	59.4	39%	0.389	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-47.3	178.2	177	175.7	171.2	162.8	0.8	112.2	Y631 G652 G656 V657 E658 G674	Y631-R654 HydrophobicContact CD1-CB 4.2Å; Y631-R654 HydrophobicContact CD1-CG 4.39Å; Y631-R654 HydrophobicContact CD2-CB 3.88Å; Y631-R654 HydrophobicContact CD2-CG 4.37Å; Y631-R654 HydrophobicContact CE1-CB 4.27Å; Y631-R654 HydrophobicContact CE1-CG 3.97Å; Y631-R654 HydrophobicContact CE2-CB 3.96Å; Y631-R654 HydrophobicContact CE2-CG 3.96Å; Y631-R654 HydrophobicContact CG-CB 4.01Å; G652-R654 VanDerWaalsContact C-N 3.33Å; G652-R654 PolarHBondContact O-N 3.15Å; R654-G656 VanDerWaalsContact C-N 3.28Å; R654-G656 PolarHBondContact O-N 3.12Å; R654-V657 PolarHBondContact O-N 2.84Å; R654-E658 IonicContact CZ-OE1 3.62Å; R654-E658 IonicContact NE-OE1 2.8Å; R654-E658 PolarHBondContact NE-OE1 2.86Å; R654-E658 IonicContact NH2-OE1 3.62Å; R654-E658 WeakPolarHBondContact O-CG 3.08Å; R654-E658 PolarHBondContact O-N 3.43Å; R654-G674 PolarHBondContact NH1-O 3.37Å
655	E	92.3	Very high	89.3	Confident	87 Å²	87	62 Å²	62	41%	0.407	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-39.7	178.2	-169	-160.6	157.2	0	0	110.9	W649 G652 D653 E658 K659	W649-E655 HydrophobicContact CZ2-CB 4.17Å; W649-E655 HydrophobicContact CZ2-CG 4.03Å; G652-E655 PolarHBondContact O-N 2.68Å; D653-E655 PolarHBondContact O-N 2.77Å; E655-E658 PolarHBondContact O-N 3.41Å; E655-K659 PolarHBondContact O-N 3.26Å; E655-K659 IonicContact OE1-NZ 3.62Å
656	G	92.1	Very high	88.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-44.2	175	0	0	0	0	0	112.1	G652 D653 R654 K659 V660	G652-G656 PolarHBondContact O-N 3.45Å; D653-G656 PolarHBondContact O-N 3.46Å; R654-G656 VanDerWaalsContact C-N 3.28Å; R654-G656 PolarHBondContact O-N 3.12Å; G656-K659 PolarHBondContact O-N 3.42Å; G656-V660 VanDerWaalsContact O-CG2 3.31Å; G656-V660 WeakPolarHBondContact O-CG2 3.37Å; G656-V660 PolarHBondContact O-N 2.75Å
657	V	92.7	Very high	88.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-43.4	175.7	174.7	0	0	0	0	111.6	Y631 F634 L635 D653 R654 K659 V660 L661 F673 I678	Y631-V657 HydrophobicContact CD1-CB 3.91Å; Y631-V657 HydrophobicContact CD1-CG1 4.13Å; Y631-V657 HydrophobicContact CD1-CG2 3.87Å; Y631-V657 HydrophobicContact CE1-CB 4.47Å; Y631-V657 HydrophobicContact CE1-CG1 4.39Å; F634-V657 HydrophobicContact CB-CG2 4.37Å; F634-V657 HydrophobicContact CD1-CB 4.22Å; F634-V657 HydrophobicContact CD1-CG1 3.6Å; F634-V657 HydrophobicContact CD1-CG2 3.6Å; F634-V657 HydrophobicContact CE1-CG1 3.63Å; F634-V657 HydrophobicContact CE1-CG2 4.39Å; F634-V657 HydrophobicContact CG-CG2 4.39Å; L635-V657 HydrophobicContact CB-CG2 3.87Å; L635-V657 HydrophobicContact CD1-CG2 4.49Å; D653-V657 WeakPolarHBondContact O-CG2 3.44Å; D653-V657 PolarHBondContact O-N 3Å; R654-V657 PolarHBondContact O-N 2.84Å; V657-K659 VanDerWaalsContact C-N 3.32Å; V657-K659 PolarHBondContact O-N 3.09Å; V657-V660 PolarHBondContact O-N 2.83Å; V657-L661 HydrophobicContact CG1-CD1 3.66Å; V657-L661 HydrophobicContact CG1-CG 4.22Å; V657-L661 WeakPolarHBondContact O-CB 3.47Å; V657-L661 WeakPolarHBondContact O-CG 3.49Å; V657-L661 PolarHBondContact O-N 3.37Å; V657-F673 HydrophobicContact CG1-CE1 4.34Å; V657-I678 HydrophobicContact CG1-CB 4.3Å; V657-I678 HydrophobicContact CG1-CG1 4.28Å
658	E	90.8	Very high	87.5	Confident	73 Å²	73	64.9 Å²	64.9	34%	0.341	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-42.3	175.2	-76	173.2	-172.3	0	0	111.5	R654 E655 G662 F673	R654-E658 IonicContact CZ-OE1 3.62Å; R654-E658 IonicContact NE-OE1 2.8Å; R654-E658 PolarHBondContact NE-OE1 2.86Å; R654-E658 IonicContact NH2-OE1 3.62Å; R654-E658 WeakPolarHBondContact O-CG 3.08Å; R654-E658 PolarHBondContact O-N 3.43Å; E655-E658 PolarHBondContact O-N 3.41Å; E658-G662 WeakPolarHBondContact O-CA 3.35Å; E658-G662 PolarHBondContact O-N 3.41Å; E658-F673 HydrophobicContact CB-CE1 4.24Å; E658-F673 HydrophobicContact CB-CZ 4.44Å; E658-F673 HydrophobicContact CG-CD1 3.66Å; E658-F673 HydrophobicContact CG-CE1 3.21Å; E658-F673 HydrophobicContact CG-CE2 4.35Å; E658-F673 HydrophobicContact CG-CG 4.41Å; E658-F673 HydrophobicContact CG-CZ 3.61Å
659	K	90.6	Very high	87.1	Confident	85 Å²	85	60 Å²	60	37%	0.37	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-43	175.3	-74	-160.8	-172.7	177.2	0	113.3	T645 W649 E655 G656 V657 G662 E663	T645-K659 HydrophobicContact CG2-CB 4.36Å; W649-K659 HydrophobicContact CH2-CD 3.61Å; W649-K659 HydrophobicContact CH2-CG 4.48Å; W649-K659 HydrophobicContact CZ3-CD 3.98Å; E655-K659 PolarHBondContact O-N 3.26Å; E655-K659 IonicContact OE1-NZ 3.62Å; G656-K659 PolarHBondContact O-N 3.42Å; V657-K659 VanDerWaalsContact C-N 3.32Å; V657-K659 PolarHBondContact O-N 3.09Å; K659-G662 PolarHBondContact O-N 2.97Å; K659-E663 PolarHBondContact O-N 3.33Å
660	V	91.1	Very high	86.8	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-50.3	177.1	170.8	0	0	0	0	110.3	L635 L641 T645 G656 V657 L664	L635-V660 HydrophobicContact CD1-CG2 4.01Å; L641-V660 HydrophobicContact CB-CG1 4.27Å; L641-V660 HydrophobicContact CD1-CG1 4.49Å; T645-V660 HydrophobicContact CG2-CG2 3.93Å; T645-V660 WeakPolarHBondContact OG1-CG2 3.46Å; G656-V660 VanDerWaalsContact O-CG2 3.31Å; G656-V660 WeakPolarHBondContact O-CG2 3.37Å; G656-V660 PolarHBondContact O-N 2.75Å; V657-V660 PolarHBondContact O-N 2.83Å; V660-L664 HydrophobicContact CG1-CD1 4.12Å; V660-L664 WeakPolarHBondContact O-CD1 3.3Å; V660-L664 WeakPolarHBondContact O-CG 3.39Å; V660-L664 PolarHBondContact O-N 3.32Å
661	L	89.8	Confident	86.9	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-71.5	-33.5	-177.3	-64.7	175.9	0	0	0	112.4	F634 V657 L664 S665 L671 F673 I678 L689	F634-L661 HydrophobicContact CE1-CD1 4.36Å; F634-L661 HydrophobicContact CE1-CD2 4.27Å; F634-L661 HydrophobicContact CE1-CG 4.37Å; F634-L661 HydrophobicContact CZ-CD1 4.46Å; F634-L661 HydrophobicContact CZ-CD2 4.12Å; V657-L661 HydrophobicContact CG1-CD1 3.66Å; V657-L661 HydrophobicContact CG1-CG 4.22Å; V657-L661 WeakPolarHBondContact O-CB 3.47Å; V657-L661 WeakPolarHBondContact O-CG 3.49Å; V657-L661 PolarHBondContact O-N 3.37Å; L661-L664 PolarHBondContact O-N 2.98Å; L661-S665 PolarHBondContact O-N 3.46Å; L661-L671 HydrophobicContact CB-CD1 4.01Å; L661-L671 HydrophobicContact CD1-CD1 3.91Å; L661-L671 HydrophobicContact CD1-CD2 4.14Å; L661-L671 HydrophobicContact CD2-CD1 4.49Å; L661-L671 HydrophobicContact CG-CD1 4.36Å; L661-F673 HydrophobicContact CD1-CE1 4.32Å; L661-F673 HydrophobicContact CD1-CZ 4.11Å; L661-I678 HydrophobicContact CD1-CD1 3.92Å; L661-I678 HydrophobicContact CD1-CG1 4.02Å; L661-L689 HydrophobicContact CD2-CD1 3.98Å; L661-L689 HydrophobicContact CD2-CD2 3.82Å
662	G	86.8	Confident	86.9	Confident	51 Å²	51	52.5 Å²	52.5	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-43.4	175.2	0	0	0	0	0	113.3	E658 K659 L664 S665	E658-G662 WeakPolarHBondContact O-CA 3.35Å; E658-G662 PolarHBondContact O-N 3.41Å; K659-G662 PolarHBondContact O-N 2.97Å; G662-L664 PolarHBondContact O-N 3.45Å; G662-S665 PolarHBondContact O-N 2.89Å
663	E	85.8	Confident	86.9	Confident	93 Å²	93	53.5 Å²	53.5	44%	0.435	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-25.1	175.7	-80.1	-179	-147.1	0	0	113	S642 R643 S644 K659 S665	S642-E663 WeakPolarHBondContact CA-OE2 3.23Å; S642-E663 WeakPolarHBondContact CB-OE2 3.36Å; S642-E663 PolarHBondContact OG-OE1 3.1Å; S642-E663 PolarHBondContact OG-OE2 3.13Å; R643-E663 PolarHBondContact N-OE2 3.21Å; S644-E663 VanDerWaalsContact CB-OE1 3.31Å; S644-E663 WeakPolarHBondContact CB-OE1 3.22Å; S644-E663 PolarHBondContact OG-OE1 3.2Å; K659-E663 PolarHBondContact O-N 3.33Å; E663-S665 VanDerWaalsContact C-N 3.28Å
664	L	84.5	Confident	86.9	Confident	26 Å²	26	49.6 Å²	49.6	14%	0.136	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.3	175.9	-71.7	160.9	0	0	0	112.9	L641 V660 L661 G662 M666 Y688 L689 Q692	L641-L664 HydrophobicContact CB-CD1 4.39Å; L641-L664 HydrophobicContact CD1-CD1 3.89Å; V660-L664 HydrophobicContact CG1-CD1 4.12Å; V660-L664 WeakPolarHBondContact O-CD1 3.3Å; V660-L664 WeakPolarHBondContact O-CG 3.39Å; V660-L664 PolarHBondContact O-N 3.32Å; L661-L664 PolarHBondContact O-N 2.98Å; G662-L664 PolarHBondContact O-N 3.45Å; L664-M666 VanDerWaalsContact C-N 3.3Å; L664-M666 HydrophobicContact CB-CE 4.35Å; L664-M666 HydrophobicContact CB-CG 4.17Å; L664-M666 WeakPolarHBondContact O-CE 3.43Å; L664-M666 PolarHBondContact O-N 2.71Å; L664-Y688 HydrophobicContact CD2-CE1 4.21Å; L664-L689 HydrophobicContact CD1-CD2 3.49Å; L664-L689 VanDerWaalsContact CD1-CD2 3.49Å; L664-Q692 HydrophobicContact CD2-CG 4.16Å
665	S	79.6	Confident	86.8	Confident	105 Å²	105	51.2 Å²	51.2	73%	0.734	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.2	180	-58.7	0	0	0	0	113.6	L661 G662 E663	L661-S665 PolarHBondContact O-N 3.46Å; G662-S665 PolarHBondContact O-N 2.89Å; E663-S665 VanDerWaalsContact C-N 3.28Å
666	M	79.8	Confident	86.6	Confident	44 Å²	44	50.9 Å²	50.9	22%	0.217	30%	0.3	C	S	.	.			trans	-72	145.6	176.7	-64.6	-66.9	94.7	0	0	111.3	L664 L671 T685 Y688	L664-M666 VanDerWaalsContact C-N 3.3Å; L664-M666 HydrophobicContact CB-CE 4.35Å; L664-M666 HydrophobicContact CB-CG 4.17Å; L664-M666 WeakPolarHBondContact O-CE 3.43Å; L664-M666 PolarHBondContact O-N 2.71Å; M666-L671 HydrophobicContact CB-CD1 3.62Å; M666-L671 HydrophobicContact CB-CG 4.45Å; M666-L671 HydrophobicContact CG-CD1 4.46Å; M666-T685 HydrophobicContact CG-CG2 4.39Å; M666-T685 HydrophobicContact SD-CG2 3.74Å; M666-Y688 HydrophobicContact CE-CD1 3.72Å; M666-Y688 HydrophobicContact CE-CE1 3.34Å; M666-Y688 HydrophobicContact SD-CD1 3.83Å; M666-Y688 HydrophobicContact SD-CE1 4.03Å
667	S	77.7	Confident	86.6	Confident	60 Å²	60	53.4 Å²	53.4	42%	0.42	31%	0.311	S	S	.	.			trans	-70.7	137.7	-178.4	66.9	0	0	0	0	111.1	G669 E670	S667-G669 PolarHBondContact O-N 3.23Å; S667-E670 PolarHBondContact O-N 3.39Å; S667-E670 VanDerWaalsContact O-N 3.08Å; S667-E670 VanDerWaalsContact OG-CG 3.3Å; S667-E670 WeakPolarHBondContact OG-CG 3.32Å
668	S	74.4	Confident	86.5	Confident	116 Å²	116	53.4 Å²	53.4	81%	0.811	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.2	180	54.7	0	0	0	0	113.4	E670	S668-E670 VanDerWaalsContact C-N 3.35Å
669	G	78.3	Confident	86.4	Confident	43 Å²	43	49.9 Å²	49.9	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.4	175.2	0	0	0	0	0	114.8	S667 R681	S667-G669 PolarHBondContact O-N 3.23Å; G669-R681 VanDerWaalsContact O-CD 3.29Å; G669-R681 WeakPolarHBondContact O-CD 3.1Å
670	E	83	Confident	86.2	Confident	53 Å²	53	45.9 Å²	45.9	25%	0.248	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-10.7	176.6	-77.4	-173.7	175.6	0	0	113.3	S667 S668 R681 T685	S667-E670 PolarHBondContact O-N 3.39Å; S667-E670 VanDerWaalsContact O-N 3.08Å; S667-E670 VanDerWaalsContact OG-CG 3.3Å; S667-E670 WeakPolarHBondContact OG-CG 3.32Å; S668-E670 VanDerWaalsContact C-N 3.35Å; E670-R681 WeakPolarHBondContact O-CB 3.37Å; E670-R681 PolarHBondContact O-N 2.76Å; E670-T685 PolarHBondContact OE2-OG1 2.79Å
671	L	89.1	Confident	85.6	Confident	19 Å²	19	51.7 Å²	51.7	10%	0.099	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140	-173.8	-61.7	174.1	0	0	0	110.4	L661 M666 F673 F679 I680 T685	L661-L671 HydrophobicContact CB-CD1 4.01Å; L661-L671 HydrophobicContact CD1-CD1 3.91Å; L661-L671 HydrophobicContact CD1-CD2 4.14Å; L661-L671 HydrophobicContact CD2-CD1 4.49Å; L661-L671 HydrophobicContact CG-CD1 4.36Å; M666-L671 HydrophobicContact CB-CD1 3.62Å; M666-L671 HydrophobicContact CB-CG 4.45Å; M666-L671 HydrophobicContact CG-CD1 4.46Å; L671-F673 HydrophobicContact CB-CE2 4.48Å; L671-F679 WeakPolarHBondContact CA-O 3.49Å; L671-I680 HydrophobicContact CD2-CG1 3.94Å; L671-T685 HydrophobicContact CD2-CG2 4.31Å
672	A	89.9	Confident	84.9	Confident	12 Å²	12	53.2 Å²	53.2	10%	0.099	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.6	168.1	0	0	0	0	0	111.3	I425 Y625 F679	I425-A672 HydrophobicContact CD1-CB 3.93Å; Y625-A672 HydrophobicContact CD1-CB 4.37Å; Y625-A672 HydrophobicContact CE1-CB 3.42Å; Y625-A672 VanDerWaalsContact CE1-CB 3.42Å; Y625-A672 HydrophobicContact CE2-CB 4.27Å; Y625-A672 WeakPolarHBondContact OH-CB 3.49Å; A672-F679 HydrophobicContact CB-CB 4.21Å; A672-F679 PolarHBondContact N-O 3.34Å; A672-F679 WeakPolarHBondContact O-CB 3.48Å; A672-F679 PolarHBondContact O-N 2.96Å
673	F	91.1	Very high	84.2	Confident	65 Å²	65	50.9 Å²	50.9	29%	0.285	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.2	-176.7	-67.8	-88.4	0	0	0	109.5	Y631 V657 E658 L661 L671 I678	Y631-F673 AromaticContact CE1-CD1 3.95Å; Y631-F673 HydrophobicContact CE1-CD1 3.95Å; Y631-F673 WeakPolarHBondContact OH-CA 3.27Å; Y631-F673 WeakPolarHBondContact OH-CB 3.32Å; V657-F673 HydrophobicContact CG1-CE1 4.34Å; E658-F673 HydrophobicContact CB-CE1 4.24Å; E658-F673 HydrophobicContact CB-CZ 4.44Å; E658-F673 HydrophobicContact CG-CD1 3.66Å; E658-F673 HydrophobicContact CG-CE1 3.21Å; E658-F673 HydrophobicContact CG-CE2 4.35Å; E658-F673 HydrophobicContact CG-CG 4.41Å; E658-F673 HydrophobicContact CG-CZ 3.61Å; L661-F673 HydrophobicContact CD1-CE1 4.32Å; L661-F673 HydrophobicContact CD1-CZ 4.11Å; L671-F673 HydrophobicContact CB-CE2 4.48Å; F673-I678 HydrophobicContact CD1-CD1 3.66Å; F673-I678 HydrophobicContact CE1-CD1 3.53Å; F673-I678 HydrophobicContact CE2-CD1 4.41Å; F673-I678 HydrophobicContact CG-CD1 4.15Å; F673-I678 HydrophobicContact CZ-CD1 3.94Å
674	G	91.9	Very high	83.7	Confident	2 Å²	2	53 Å²	53	2%	0.021	29%	0.293	C	S	.	.			trans	-76.4	-179.9	172.4	0	0	0	0	0	112.1	E423 Y631 R654 K677	E423-G674 CarbonylContact O-C 3.52Å; E423-G674 VanDerWaalsContact O-CA 3.32Å; E423-G674 WeakPolarHBondContact O-CA 3.47Å; Y631-G674 WeakPolarHBondContact CE2-O 3.49Å; Y631-G674 PolarHBondContact OH-N 3.13Å; Y631-G674 PolarHBondContact OH-O 3.24Å; R654-G674 PolarHBondContact NH1-O 3.37Å; G674-K677 VanDerWaalsContact CA-O 3.28Å; G674-K677 WeakPolarHBondContact CA-O 3.3Å; G674-K677 PolarHBondContact N-O 2.9Å
675	K	91.3	Very high	83.6	Confident	137 Å²	137	51.9 Å²	51.9	60%	0.596	29%	0.287	S	S	*	.	S	Bend	trans	-63.3	-45.2	175.6	-69.4	176.6	-164.6	156.7	0	112.1	R422 E423	R422-K675 WeakPolarHBondContact O-CD 3.45Å; R422-K675 PolarHBondContact O-NZ 3.49Å; E423-K675 PolarHBondContact O-N 2.78Å; E423-K675 PolarHBondContact OE2-N 3.32Å
676	T	89	Confident	83.5	Confident	79 Å²	79	47 Å²	47	49%	0.485	25%	0.253	S	S	.	.	S	Bend	trans	-121.6	-14.8	-175.6	78.1	0	0	0	0	113.9	E423 Y631	E423-T676 PolarHBondContact OE1-OG1 2.98Å; E423-T676 PolarHBondContact OE2-N 2.99Å; E423-T676 PolarHBondContact OE2-OG1 3.42Å; Y631-T676 WeakPolarHBondContact CD2-O 3.24Å; Y631-T676 PolarHBondContact N-O 3.1Å
677	K	91.3	Very high	83.3	Confident	53 Å²	53	46.4 Å²	46.4	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.7	-175	-62.1	173.4	-167.8	171.7	0	112.9	E419 E423 Q629 Y631 G674 F679	E419-K677 IonicContact OE1-NZ 3.42Å; E419-K677 PolarHBondContact OE1-NZ 3.35Å; E423-K677 PolarHBondContact OE2-N 2.89Å; E423-K677 VanDerWaalsContact OE2-N 3.12Å; Q629-K677 CarbonylContact O-C 3.6Å; Q629-K677 WeakPolarHBondContact O-CA 3.5Å; Q629-K677 VanDerWaalsContact O-CB 3.3Å; Q629-K677 WeakPolarHBondContact O-CB 3.41Å; Y631-K677 VanDerWaalsContact CZ-C 3.49Å; Y631-K677 PolarHBondContact OH-O 3.28Å; Y631-K677 VanDerWaalsContact OH-O 3.11Å; G674-K677 VanDerWaalsContact CA-O 3.28Å; G674-K677 WeakPolarHBondContact CA-O 3.3Å; G674-K677 PolarHBondContact N-O 2.9Å; K677-F679 HydrophobicContact CB-CD2 4.44Å; K677-F679 HydrophobicContact CB-CE2 3.94Å
678	I	90.9	Very high	83.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.9	164.2	-177.1	62	0	0	0	109.4	R628 Q629 Y631 F634 V657 L661 F673 I680	R628-I678 VanDerWaalsContact CA-O 3.29Å; R628-I678 WeakPolarHBondContact CA-O 3.39Å; Q629-I678 PolarHBondContact N-O 3.4Å; Q629-I678 VanDerWaalsContact N-O 3.14Å; Q629-I678 WeakPolarHBondContact O-CG2 3.36Å; Q629-I678 PolarHBondContact O-N 3.23Å; Y631-I678 HydrophobicContact CD1-CB 4.16Å; Y631-I678 HydrophobicContact CE1-CB 3.79Å; F634-I678 HydrophobicContact CB-CG2 4.17Å; F634-I678 HydrophobicContact CD1-CG2 4.24Å; F634-I678 HydrophobicContact CD2-CG2 3.54Å; F634-I678 HydrophobicContact CE2-CG2 3.91Å; F634-I678 HydrophobicContact CG-CG2 3.72Å; F634-I678 HydrophobicContact CZ-CG2 4.39Å; V657-I678 HydrophobicContact CG1-CB 4.3Å; V657-I678 HydrophobicContact CG1-CG1 4.28Å; L661-I678 HydrophobicContact CD1-CD1 3.92Å; L661-I678 HydrophobicContact CD1-CG1 4.02Å; F673-I678 HydrophobicContact CD1-CD1 3.66Å; F673-I678 HydrophobicContact CE1-CD1 3.53Å; F673-I678 HydrophobicContact CE2-CD1 4.41Å; F673-I678 HydrophobicContact CG-CD1 4.15Å; F673-I678 HydrophobicContact CZ-CD1 3.94Å; I678-I680 HydrophobicContact CG1-CG1 4.45Å
679	F	88.8	Confident	84	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.1	175.4	-71.3	-103.4	0	0	0	110	E419 Y420 E423 I425 Y625 R628 L671 A672 K677	E419-F679 HydrophobicContact CG-CE1 4.48Å; E419-F679 HydrophobicContact CG-CZ 4.23Å; Y420-F679 AromaticContact CD1-CE1 3.88Å; Y420-F679 HydrophobicContact CD1-CE1 3.88Å; Y420-F679 HydrophobicContact CD1-CZ 4.48Å; Y420-F679 HydrophobicContact CE1-CD1 4.19Å; Y420-F679 AromaticContact CE1-CE1 3.76Å; Y420-F679 HydrophobicContact CE1-CE1 3.76Å; E423-F679 HydrophobicContact CB-CE2 3.69Å; E423-F679 HydrophobicContact CB-CZ 3.88Å; E423-F679 HydrophobicContact CG-CE2 3.72Å; E423-F679 HydrophobicContact CG-CZ 3.73Å; I425-F679 HydrophobicContact CD1-CD2 4.28Å; I425-F679 HydrophobicContact CG1-CD2 3.99Å; I425-F679 HydrophobicContact CG1-CE2 3.96Å; I425-F679 HydrophobicContact CG1-CG 4.47Å; I425-F679 HydrophobicContact CG1-CZ 4.4Å; Y625-F679 HydrophobicContact CD1-CB 3.62Å; Y625-F679 HydrophobicContact CD2-CB 4.2Å; Y625-F679 HydrophobicContact CD2-CD1 4.15Å; Y625-F679 HydrophobicContact CE1-CB 4.16Å; Y625-F679 HydrophobicContact CG-CB 3.67Å; Y625-F679 HydrophobicContact CG-CD1 4.08Å; Y625-F679 HydrophobicContact CG-CG 4.33Å; R628-F679 HydrophobicContact CB-CD1 3.92Å; R628-F679 HydrophobicContact CB-CE1 3.94Å; R628-F679 HydrophobicContact CB-CG 4.39Å; R628-F679 HydrophobicContact CB-CZ 4.41Å; L671-F679 WeakPolarHBondContact CA-O 3.49Å; A672-F679 HydrophobicContact CB-CB 4.21Å; A672-F679 PolarHBondContact N-O 3.34Å; A672-F679 WeakPolarHBondContact O-CB 3.48Å; A672-F679 PolarHBondContact O-N 2.96Å; K677-F679 HydrophobicContact CB-CD2 4.44Å; K677-F679 HydrophobicContact CB-CE2 3.94Å
680	I	85.8	Confident	84.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.4	-179.2	-58.7	179.4	0	0	0	108.1	Y625 A626 H627 F634 L671 I678 S682 T685 L686 L689	Y625-I680 CarbonylContact C-O 3.59Å; A626-I680 PolarHBondContact N-O 3.16Å; H627-I680 HydrophobicContact CB-CB 4.3Å; H627-I680 PolarHBondContact N-O 2.87Å; H627-I680 VanDerWaalsContact N-O 3.08Å; H627-I680 PolarHBondContact O-N 3.01Å; F634-I680 HydrophobicContact CE2-CD1 3.93Å; F634-I680 HydrophobicContact CZ-CD1 4.34Å; L671-I680 HydrophobicContact CD2-CG1 3.94Å; I678-I680 HydrophobicContact CG1-CG1 4.45Å; I680-S682 WeakPolarHBondContact CG2-O 3.44Å; I680-T685 HydrophobicContact CG2-CG2 4.1Å; I680-L686 HydrophobicContact CD1-CD1 4.13Å; I680-L689 HydrophobicContact CD1-CD1 3.94Å
681	R	80	Confident	84	Confident	124 Å²	124	38.2 Å²	38.2	47%	0.468	18%	0.177	S	C	.	.	S	Bend	trans	-71.9	-55	-171	-167	174.4	-176.4	170.5	2	111.7	Y625 A626 G669 E670	Y625-R681 HydrophobicContact CD1-CB 3.88Å; Y625-R681 HydrophobicContact CD1-CG 4.44Å; Y625-R681 HydrophobicContact CE1-CB 4.13Å; A626-R681 VanDerWaalsContact CB-O 3.27Å; A626-R681 WeakPolarHBondContact CB-O 3.45Å; A626-R681 PolarHBondContact N-O 2.85Å; A626-R681 VanDerWaalsContact N-O 3.12Å; G669-R681 VanDerWaalsContact O-CD 3.29Å; G669-R681 WeakPolarHBondContact O-CD 3.1Å; E670-R681 WeakPolarHBondContact O-CB 3.37Å; E670-R681 PolarHBondContact O-N 2.76Å
682	S	74.7	Confident	83.9	Confident	36 Å²	36	40.1 Å²	40.1	25%	0.252	19%	0.185	S	C	.	.			trans	-101.1	134.7	-179.2	-177	0	0	0	0	110.4	I680 K684 T685	I680-S682 WeakPolarHBondContact CG2-O 3.44Å; S682-K684 PolarHBondContact O-N 3.04Å; S682-K684 VanDerWaalsContact OG-CB 3.32Å; S682-K684 WeakPolarHBondContact OG-CB 3.47Å; S682-K684 PolarHBondContact OG-N 2.71Å; S682-T685 WeakPolarHBondContact O-CB 3.11Å; S682-T685 PolarHBondContact O-N 2.74Å; S682-T685 PolarHBondContact O-OG1 2.98Å
683	P	70.6	Confident	83.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-18.4	171.2	-1.7	9	0	0	0	111.8	V14 L15 A626 T685 L686 F687	V14-P683 HydrophobicContact CB-CG 3.78Å; V14-P683 HydrophobicContact CG1-CG 3.47Å; V14-P683 VanDerWaalsContact CG1-CG 3.47Å; L15-P683 HydrophobicContact CD1-CB 4.42Å; L15-P683 HydrophobicContact CD2-CB 3.46Å; L15-P683 VanDerWaalsContact CD2-CB 3.46Å; L15-P683 HydrophobicContact CD2-CG 3.52Å; L15-P683 HydrophobicContact CG-CB 3.82Å; L15-P683 HydrophobicContact CG-CG 3.85Å; A626-P683 HydrophobicContact CB-CB 4.41Å; A626-P683 VanDerWaalsContact CB-CD 3.48Å; A626-P683 HydrophobicContact CB-CG 3.66Å; P683-T685 PolarHBondContact O-N 3.2Å; P683-L686 WeakPolarHBondContact O-CB 3.05Å; P683-L686 PolarHBondContact O-N 3.37Å; P683-F687 HydrophobicContact CB-CD2 4.25Å; P683-F687 HydrophobicContact CB-CE2 4.02Å; P683-F687 WeakPolarHBondContact O-CD2 3.48Å; P683-F687 PolarHBondContact O-N 3.36Å
684	K	76	Confident	83.4	Confident	137 Å²	137	43.8 Å²	43.8	60%	0.596	20%	0.195	S	C	*	.	H	α-helix	trans	-59.7	-40.6	179.5	-178.3	-175.6	175.8	-174.3	0	110.5	L15 S682 Y688	L15-K684 HydrophobicContact CD2-CB 4Å; S682-K684 PolarHBondContact O-N 3.04Å; S682-K684 VanDerWaalsContact OG-CB 3.32Å; S682-K684 WeakPolarHBondContact OG-CB 3.47Å; S682-K684 PolarHBondContact OG-N 2.71Å; K684-Y688 WeakPolarHBondContact O-CB 3.41Å; K684-Y688 PolarHBondContact O-N 3.24Å
685	T	81.6	Confident	83.3	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-43.3	176	-36.2	0	0	0	0	110.5	M666 E670 L671 I680 S682 P683 Y688 L689	M666-T685 HydrophobicContact CG-CG2 4.39Å; M666-T685 HydrophobicContact SD-CG2 3.74Å; E670-T685 PolarHBondContact OE2-OG1 2.79Å; L671-T685 HydrophobicContact CD2-CG2 4.31Å; I680-T685 HydrophobicContact CG2-CG2 4.1Å; S682-T685 WeakPolarHBondContact O-CB 3.11Å; S682-T685 PolarHBondContact O-N 2.74Å; S682-T685 PolarHBondContact O-OG1 2.98Å; P683-T685 PolarHBondContact O-N 3.2Å; T685-Y688 WeakPolarHBondContact O-CB 3.19Å; T685-Y688 PolarHBondContact O-N 2.73Å; T685-L689 WeakPolarHBondContact O-CG 3.36Å; T685-L689 PolarHBondContact O-N 2.85Å
686	L	78.1	Confident	83.2	Confident	4 Å²	4	43 Å²	43	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-47.3	176.8	-176.9	67.8	0	0	0	112.1	Y71 H627 I680 P683 Y688 L689 E690	Y71-L686 HydrophobicContact CD1-CD2 4.35Å; Y71-L686 HydrophobicContact CD2-CD2 4.18Å; Y71-L686 HydrophobicContact CG-CD2 3.88Å; H627-L686 HydrophobicContact CB-CD2 3.96Å; I680-L686 HydrophobicContact CD1-CD1 4.13Å; P683-L686 WeakPolarHBondContact O-CB 3.05Å; P683-L686 PolarHBondContact O-N 3.37Å; L686-Y688 VanDerWaalsContact C-N 3.27Å; L686-Y688 PolarHBondContact O-N 3.04Å; L686-L689 WeakPolarHBondContact O-CB 3.25Å; L686-L689 PolarHBondContact O-N 2.76Å; L686-L689 VanDerWaalsContact O-N 3.11Å; L686-E690 PolarHBondContact O-N 3.17Å
687	F	76.1	Confident	83.2	Confident	31 Å²	31	42.5 Å²	42.5	14%	0.136	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-33.2	176.4	-74	-69.1	0	0	0	112.6	L3 L15 Y71 P683 E691	L3-F687 HydrophobicContact CB-CD1 4.41Å; L3-F687 HydrophobicContact CD1-CD1 4.31Å; L3-F687 HydrophobicContact CD2-CD1 4.14Å; L3-F687 HydrophobicContact CD2-CE1 4.24Å; L15-F687 HydrophobicContact CD1-CD2 3.45Å; L15-F687 VanDerWaalsContact CD1-CD2 3.45Å; L15-F687 HydrophobicContact CD1-CE2 3.22Å; L15-F687 HydrophobicContact CD1-CZ 4.23Å; L15-F687 HydrophobicContact CD2-CD2 4.47Å; L15-F687 HydrophobicContact CG-CD2 4.41Å; L15-F687 HydrophobicContact CG-CE2 4.15Å; Y71-F687 HydrophobicContact CD1-CZ 4.2Å; P683-F687 HydrophobicContact CB-CD2 4.25Å; P683-F687 HydrophobicContact CB-CE2 4.02Å; P683-F687 WeakPolarHBondContact O-CD2 3.48Å; P683-F687 PolarHBondContact O-N 3.36Å; F687-E691 WeakPolarHBondContact O-CB 3.17Å; F687-E691 PolarHBondContact O-N 3.04Å
688	Y	82.4	Confident	83.2	Confident	79 Å²	79	44.6 Å²	44.6	31%	0.31	20%	0.196	S	C	.	.	H	α-helix	trans	-62.6	-44	171.7	175.8	-95.2	0	0	0	111.4	L664 M666 K684 T685 L686 E691 Q692	L664-Y688 HydrophobicContact CD2-CE1 4.21Å; M666-Y688 HydrophobicContact CE-CD1 3.72Å; M666-Y688 HydrophobicContact CE-CE1 3.34Å; M666-Y688 HydrophobicContact SD-CD1 3.83Å; M666-Y688 HydrophobicContact SD-CE1 4.03Å; K684-Y688 WeakPolarHBondContact O-CB 3.41Å; K684-Y688 PolarHBondContact O-N 3.24Å; T685-Y688 WeakPolarHBondContact O-CB 3.19Å; T685-Y688 PolarHBondContact O-N 2.73Å; L686-Y688 VanDerWaalsContact C-N 3.27Å; L686-Y688 PolarHBondContact O-N 3.04Å; Y688-E691 WeakPolarHBondContact O-CB 3.45Å; Y688-E691 PolarHBondContact O-N 3.26Å; Y688-Q692 HydrophobicContact CD1-CG 4.33Å; Y688-Q692 HydrophobicContact CE1-CG 3.84Å; Y688-Q692 HydrophobicContact CE2-CG 4.21Å; Y688-Q692 WeakPolarHBondContact O-CG 3.29Å; Y688-Q692 PolarHBondContact O-N 2.85Å
689	L	84.9	Confident	83.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-47.7	176.3	-69.9	168.3	0	0	0	112.6	F634 Y638 L641 L661 L664 I680 T685 L686 E691 Q692 R693	F634-L689 HydrophobicContact CE2-CD1 4.32Å; F634-L689 HydrophobicContact CZ-CD1 3.8Å; Y638-L689 HydrophobicContact CD1-CB 4.27Å; Y638-L689 HydrophobicContact CE1-CB 3.88Å; L641-L689 HydrophobicContact CD1-CD2 4.13Å; L661-L689 HydrophobicContact CD2-CD1 3.98Å; L661-L689 HydrophobicContact CD2-CD2 3.82Å; L664-L689 HydrophobicContact CD1-CD2 3.49Å; L664-L689 VanDerWaalsContact CD1-CD2 3.49Å; I680-L689 HydrophobicContact CD1-CD1 3.94Å; T685-L689 WeakPolarHBondContact O-CG 3.36Å; T685-L689 PolarHBondContact O-N 2.85Å; L686-L689 WeakPolarHBondContact O-CB 3.25Å; L686-L689 PolarHBondContact O-N 2.76Å; L686-L689 VanDerWaalsContact O-N 3.11Å; L689-E691 PolarHBondContact O-N 3.06Å; L689-Q692 PolarHBondContact O-N 3.06Å; L689-R693 WeakPolarHBondContact O-CB 3.49Å; L689-R693 PolarHBondContact O-N 3.36Å
690	E	81.4	Confident	83.5	Confident	20 Å²	20	50.9 Å²	50.9	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-39.5	175.6	-79.4	-55.7	131.4	0	0	112	L3 R637 Y638 L686 R693 R694	L3-E690 HydrophobicContact CD1-CB 3.62Å; R637-E690 IonicContact CZ-OE1 2.68Å; R637-E690 VanDerWaalsContact CZ-OE1 3.28Å; R637-E690 IonicContact CZ-OE2 2.66Å; R637-E690 IonicContact NE-OE1 2.89Å; R637-E690 PolarHBondContact NE-OE1 3.24Å; R637-E690 IonicContact NE-OE2 2.62Å; R637-E690 IonicContact NH2-OE1 3.66Å; R637-E690 PolarHBondContact NH2-OE1 3.45Å; R637-E690 IonicContact NH2-OE2 2.82Å; R637-E690 PolarHBondContact NH2-OE2 3.45Å; Y638-E690 VanDerWaalsContact CE1-OE1 3.23Å; Y638-E690 WeakPolarHBondContact CE1-OE1 3.3Å; Y638-E690 PolarHBondContact OH-OE1 2.87Å; L686-E690 PolarHBondContact O-N 3.17Å; E690-R693 WeakPolarHBondContact O-CB 3.43Å; E690-R693 PolarHBondContact O-N 3.17Å; E690-R694 WeakPolarHBondContact O-CB 3.38Å; E690-R694 PolarHBondContact O-N 3.43Å
691	E	80.1	Confident	83.8	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-53.3	176.5	175.1	61.8	-162.9	0	0	112.2	P2 L3 F687 Y688 L689 R693 R694 L695	P2-E691 VanDerWaalsContact CB-CD 3.45Å; P2-E691 HydrophobicContact CB-CG 4.41Å; P2-E691 WeakPolarHBondContact CB-OE1 3.43Å; P2-E691 WeakPolarHBondContact CB-OE2 3.38Å; P2-E691 WeakPolarHBondContact CD-OE1 3.34Å; P2-E691 WeakPolarHBondContact CD-OE2 3.15Å; P2-E691 HydrophobicContact CG-CG 3.78Å; P2-E691 WeakPolarHBondContact CG-OE1 3.38Å; L3-E691 PolarHBondContact N-OE2 2.71Å; F687-E691 WeakPolarHBondContact O-CB 3.17Å; F687-E691 PolarHBondContact O-N 3.04Å; Y688-E691 WeakPolarHBondContact O-CB 3.45Å; Y688-E691 PolarHBondContact O-N 3.26Å; L689-E691 PolarHBondContact O-N 3.06Å; E691-R693 PolarHBondContact O-N 3.03Å; E691-R693 VanDerWaalsContact O-N 3.09Å; E691-R694 WeakPolarHBondContact O-CB 3.49Å; E691-R694 PolarHBondContact O-N 3.06Å; E691-R694 IonicContact OE1-CZ 3.28Å; E691-R694 VanDerWaalsContact OE1-CZ 3.29Å; E691-R694 IonicContact OE1-NE 3.19Å; E691-R694 PolarHBondContact OE1-NE 3Å; E691-R694 VanDerWaalsContact OE1-NE 3.11Å; E691-R694 IonicContact OE1-NH2 2.87Å; E691-R694 PolarHBondContact OE1-NH2 2.86Å; E691-R694 IonicContact OE2-CZ 3.39Å; E691-R694 IonicContact OE2-NE 2.79Å; E691-R694 PolarHBondContact OE2-NE 3.21Å; E691-R694 IonicContact OE2-NH2 3.45Å; E691-L695 HydrophobicContact CG-CD1 4.07Å; E691-L695 HydrophobicContact CG-CG 4.3Å; E691-L695 PolarHBondContact O-N 3.01Å; E691-L695 WeakPolarHBondContact OE1-CD2 3.47Å; E691-L695 WeakPolarHBondContact OE1-CG 3.38Å
692	Q	86.7	Confident	84.6	Confident	58 Å²	58	50.6 Å²	50.6	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-55.2	-34.4	-179.2	-67.4	-53.7	-39.3	0	0	109.4	L641 L664 Y688 L689 R696	L641-Q692 HydrophobicContact CD1-CB 4.3Å; L641-Q692 HydrophobicContact CD2-CB 3.65Å; L641-Q692 WeakPolarHBondContact CD2-O 3.3Å; L664-Q692 HydrophobicContact CD2-CG 4.16Å; Y688-Q692 HydrophobicContact CD1-CG 4.33Å; Y688-Q692 HydrophobicContact CE1-CG 3.84Å; Y688-Q692 HydrophobicContact CE2-CG 4.21Å; Y688-Q692 WeakPolarHBondContact O-CG 3.29Å; Y688-Q692 PolarHBondContact O-N 2.85Å; L689-Q692 PolarHBondContact O-N 3.06Å; Q692-R696 WeakPolarHBondContact O-CB 3.4Å; Q692-R696 PolarHBondContact O-N 3.24Å
693	R	87.4	Confident	85.6	Confident	56 Å²	56	52.4 Å²	52.4	21%	0.211	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-47.9	178.7	-171.7	-173.1	176.3	-93.5	-4.4	110.4	R637 Y638 L640 L641 L689 E690 E691 L695 R696 L697	R637-R693 WeakPolarHBondContact O-CD 3.03Å; R637-R693 PolarHBondContact O-NE 3.14Å; Y638-R693 HydrophobicContact CD1-CB 4.34Å; Y638-R693 HydrophobicContact CD1-CG 4.5Å; L640-R693 HydrophobicContact CD1-CG 3.91Å; L640-R693 HydrophobicContact CD2-CG 4.01Å; L640-R693 HydrophobicContact CG-CG 4.26Å; L641-R693 VanDerWaalsContact CD2-CA 3.47Å; L641-R693 HydrophobicContact CD2-CB 4.09Å; L641-R693 VanDerWaalsContact CD2-N 3.32Å; L689-R693 WeakPolarHBondContact O-CB 3.49Å; L689-R693 PolarHBondContact O-N 3.36Å; E690-R693 WeakPolarHBondContact O-CB 3.43Å; E690-R693 PolarHBondContact O-N 3.17Å; E691-R693 PolarHBondContact O-N 3.03Å; E691-R693 VanDerWaalsContact O-N 3.09Å; R693-L695 PolarHBondContact O-N 3.07Å; R693-R696 PolarHBondContact O-N 3.28Å; R693-L697 WeakPolarHBondContact O-CG 3.24Å; R693-L697 PolarHBondContact O-N 3.41Å
694	R	82.6	Confident	86.8	Confident	98 Å²	98	58.2 Å²	58.2	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-56.2	-49.3	175.9	-170.9	-170.9	74.1	93.8	8.5	111.9	P2 E690 E691 R696 L697 Q698	P2-R694 VanDerWaalsContact CB-NH2 3.34Å; E690-R694 WeakPolarHBondContact O-CB 3.38Å; E690-R694 PolarHBondContact O-N 3.43Å; E691-R694 WeakPolarHBondContact O-CB 3.49Å; E691-R694 PolarHBondContact O-N 3.06Å; E691-R694 IonicContact OE1-CZ 3.28Å; E691-R694 VanDerWaalsContact OE1-CZ 3.29Å; E691-R694 IonicContact OE1-NE 3.19Å; E691-R694 PolarHBondContact OE1-NE 3Å; E691-R694 VanDerWaalsContact OE1-NE 3.11Å; E691-R694 IonicContact OE1-NH2 2.87Å; E691-R694 PolarHBondContact OE1-NH2 2.86Å; E691-R694 IonicContact OE2-CZ 3.39Å; E691-R694 IonicContact OE2-NE 2.79Å; E691-R694 PolarHBondContact OE2-NE 3.21Å; E691-R694 IonicContact OE2-NH2 3.45Å; R694-R696 VanDerWaalsContact C-N 3.3Å; R694-R696 PolarHBondContact O-N 3.21Å; R694-L697 PolarHBondContact O-N 3.29Å; R694-Q698 PolarHBondContact O-N 3Å; R694-Q698 VanDerWaalsContact O-N 3.14Å
695	L	88.9	Confident	87.8	Confident	56 Å²	56	56.1 Å²	56.1	29%	0.293	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-43	177	-66.9	174	0	0	0	111.2	E691 R693 L697 Q698 Q699	E691-L695 HydrophobicContact CG-CD1 4.07Å; E691-L695 HydrophobicContact CG-CG 4.3Å; E691-L695 PolarHBondContact O-N 3.01Å; E691-L695 WeakPolarHBondContact OE1-CD2 3.47Å; E691-L695 WeakPolarHBondContact OE1-CG 3.38Å; R693-L695 PolarHBondContact O-N 3.07Å; L695-L697 PolarHBondContact O-N 3.3Å; L695-Q698 WeakPolarHBondContact O-CB 3.38Å; L695-Q698 PolarHBondContact O-N 3.34Å; L695-Q699 WeakPolarHBondContact O-CG 3.25Å; L695-Q699 PolarHBondContact O-N 3.42Å; L695-Q699 VanDerWaalsContact O-N 3.08Å
696	R	90	Very high	88.5	Confident	66 Å²	66	62.2 Å²	62.2	25%	0.249	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-36.7	179.1	-173.4	58.1	171.2	170.4	2.5	112.5	L640 L641 Q692 R693 R694 Q698 Q699 L700	L640-R696 HydrophobicContact CB-CG 4.5Å; L640-R696 HydrophobicContact CD1-CB 3.45Å; L640-R696 VanDerWaalsContact CD1-CB 3.45Å; L640-R696 HydrophobicContact CD1-CG 3.26Å; L640-R696 HydrophobicContact CG-CG 4.48Å; L640-R696 VanDerWaalsContact O-CG 3.28Å; L640-R696 WeakPolarHBondContact O-CG 2.98Å; L640-R696 PolarHBondContact O-NE 2.98Å; L640-R696 VanDerWaalsContact O-NE 3.15Å; L641-R696 HydrophobicContact CD2-CB 4.25Å; Q692-R696 WeakPolarHBondContact O-CB 3.4Å; Q692-R696 PolarHBondContact O-N 3.24Å; R693-R696 PolarHBondContact O-N 3.28Å; R694-R696 VanDerWaalsContact C-N 3.3Å; R694-R696 PolarHBondContact O-N 3.21Å; R696-Q698 VanDerWaalsContact C-N 3.32Å; R696-Q698 PolarHBondContact O-N 3.15Å; R696-Q699 VanDerWaalsContact CD-OE1 3.26Å; R696-Q699 WeakPolarHBondContact O-CB 3.39Å; R696-Q699 PolarHBondContact O-N 3.03Å; R696-L700 WeakPolarHBondContact O-CG 3.37Å; R696-L700 PolarHBondContact O-N 2.99Å
697	L	88.9	Confident	89.5	Confident	70 Å²	70	67.1 Å²	67.1	37%	0.366	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-39.2	172.1	-72.3	172.7	0	0	0	111.9	L640 R693 R694 L695 Q699 L700 A701	L640-L697 HydrophobicContact CD2-CD2 4.03Å; L640-L697 HydrophobicContact CD2-CG 4.49Å; R693-L697 WeakPolarHBondContact O-CG 3.24Å; R693-L697 PolarHBondContact O-N 3.41Å; R694-L697 PolarHBondContact O-N 3.29Å; L695-L697 PolarHBondContact O-N 3.3Å; L697-Q699 VanDerWaalsContact C-N 3.33Å; L697-Q699 PolarHBondContact O-N 3.02Å; L697-L700 HydrophobicContact CD2-CD1 4.43Å; L697-L700 PolarHBondContact O-N 2.95Å; L697-A701 PolarHBondContact O-N 3.32Å
698	Q	90.6	Very high	90.5	Very high	97 Å²	97	71.8 Å²	71.8	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-38	173.7	-66.3	175.7	-7.4	0	0	112.1	R694 L695 R696 A701 T702	R694-Q698 PolarHBondContact O-N 3Å; R694-Q698 VanDerWaalsContact O-N 3.14Å; L695-Q698 WeakPolarHBondContact O-CB 3.38Å; L695-Q698 PolarHBondContact O-N 3.34Å; R696-Q698 VanDerWaalsContact C-N 3.32Å; R696-Q698 PolarHBondContact O-N 3.15Å; Q698-A701 PolarHBondContact O-N 3.02Å; Q698-T702 WeakPolarHBondContact O-CB 3.38Å; Q698-T702 PolarHBondContact O-N 3.03Å; Q698-T702 PolarHBondContact O-OG1 2.71Å
699	Q	93.3	Very high	91.2	Very high	105 Å²	105	75.5 Å²	75.5	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-39.9	172.9	-65.4	173.8	2.8	0	0	111.8	L695 R696 L697 T702 L703	L695-Q699 WeakPolarHBondContact O-CG 3.25Å; L695-Q699 PolarHBondContact O-N 3.42Å; L695-Q699 VanDerWaalsContact O-N 3.08Å; R696-Q699 VanDerWaalsContact CD-OE1 3.26Å; R696-Q699 WeakPolarHBondContact O-CB 3.39Å; R696-Q699 PolarHBondContact O-N 3.03Å; L697-Q699 VanDerWaalsContact C-N 3.33Å; L697-Q699 PolarHBondContact O-N 3.02Å; Q699-T702 CarbonylContact O-C 3.57Å; Q699-T702 WeakPolarHBondContact O-CB 3.41Å; Q699-T702 PolarHBondContact O-N 3.23Å; Q699-L703 PolarHBondContact O-N 3.09Å
700	L	92.7	Very high	91.8	Very high	26 Å²	26	77.3 Å²	77.3	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-40.6	175.5	-69.1	176.7	0	0	0	111.8	W646 R696 L697 T702 L703 I704	W646-L700 HydrophobicContact CH2-CD1 4.02Å; W646-L700 HydrophobicContact CZ2-CD1 3.81Å; W646-L700 HydrophobicContact CZ2-CD2 3.99Å; R696-L700 WeakPolarHBondContact O-CG 3.37Å; R696-L700 PolarHBondContact O-N 2.99Å; L697-L700 HydrophobicContact CD2-CD1 4.43Å; L697-L700 PolarHBondContact O-N 2.95Å; L700-T702 VanDerWaalsContact C-N 3.3Å; L700-T702 PolarHBondContact O-N 3.07Å; L700-L703 HydrophobicContact CD2-CD2 4.32Å; L700-L703 WeakPolarHBondContact O-CB 3.34Å; L700-L703 PolarHBondContact O-N 3.03Å; L700-L703 VanDerWaalsContact O-N 3.14Å; L700-I704 WeakPolarHBondContact O-CG1 3.33Å; L700-I704 PolarHBondContact O-N 3.24Å
701	A	93.9	Very high	92.6	Very high	42 Å²	42	83.8 Å²	83.8	35%	0.347	40%	0.396	S	S	.	.	H	α-helix	trans	-59.4	-43.1	171.3	0	0	0	0	0	111.2	L697 Q698 L703 I704 Q705	L697-A701 PolarHBondContact O-N 3.32Å; Q698-A701 PolarHBondContact O-N 3.02Å; A701-L703 VanDerWaalsContact C-N 3.32Å; A701-L703 PolarHBondContact O-N 2.95Å; A701-I704 PolarHBondContact O-N 3Å; A701-Q705 WeakPolarHBondContact O-CB 3.4Å; A701-Q705 VanDerWaalsContact O-CG 3.24Å; A701-Q705 WeakPolarHBondContact O-CG 3.37Å; A701-Q705 PolarHBondContact O-N 3.05Å
702	T	96	Very high	93.4	Very high	77 Å²	77	91.2 Å²	91.2	47%	0.472	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-37.8	174.6	-56.7	0	0	0	0	112	Q698 Q699 L700 Q705 K706	Q698-T702 WeakPolarHBondContact O-CB 3.38Å; Q698-T702 PolarHBondContact O-N 3.03Å; Q698-T702 PolarHBondContact O-OG1 2.71Å; Q699-T702 CarbonylContact O-C 3.57Å; Q699-T702 WeakPolarHBondContact O-CB 3.41Å; Q699-T702 PolarHBondContact O-N 3.23Å; L700-T702 VanDerWaalsContact C-N 3.3Å; L700-T702 PolarHBondContact O-N 3.07Å; T702-Q705 PolarHBondContact O-N 3.34Å; T702-K706 WeakPolarHBondContact O-CB 3.3Å; T702-K706 WeakPolarHBondContact O-CG 3.31Å; T702-K706 PolarHBondContact O-N 3.11Å
703	L	95.7	Very high	93.9	Very high	74 Å²	74	92.5 Å²	92.5	39%	0.387	44%	0.439	S	S	.	.	H	α-helix	trans	-59.9	-48.6	173.6	174.9	63.2	0	0	0	110.9	Q699 L700 A701 Q705 K706 I707	Q699-L703 PolarHBondContact O-N 3.09Å; L700-L703 HydrophobicContact CD2-CD2 4.32Å; L700-L703 WeakPolarHBondContact O-CB 3.34Å; L700-L703 PolarHBondContact O-N 3.03Å; L700-L703 VanDerWaalsContact O-N 3.14Å; A701-L703 VanDerWaalsContact C-N 3.32Å; A701-L703 PolarHBondContact O-N 2.95Å; L703-Q705 PolarHBondContact O-N 3Å; L703-K706 WeakPolarHBondContact O-CG 3.44Å; L703-K706 PolarHBondContact O-N 3.35Å; L703-I707 HydrophobicContact CD1-CG1 3.99Å; L703-I707 WeakPolarHBondContact O-CB 3.33Å; L703-I707 WeakPolarHBondContact O-CG1 3.49Å; L703-I707 PolarHBondContact O-N 3.3Å
704	I	96.2	Very high	94.3	Very high	124 Å²	124	98.1 Å²	98.1	64%	0.636	46%	0.46	S	S	*	.	H	α-helix	trans	-60.2	-48.4	176.9	-64.8	166.9	0	0	0	110.2	L700 A701 K706 I707 Y708	L700-I704 WeakPolarHBondContact O-CG1 3.33Å; L700-I704 PolarHBondContact O-N 3.24Å; A701-I704 PolarHBondContact O-N 3Å; I704-K706 PolarHBondContact O-N 3.07Å; I704-I707 PolarHBondContact O-N 2.8Å; I704-Y708 WeakPolarHBondContact O-CB 3.42Å; I704-Y708 PolarHBondContact O-N 2.58Å
705	Q	96.6	Very high	95	Very high	93 Å²	93	95.8 Å²	95.8	44%	0.435	46%	0.457	S	S	.	.	H	α-helix	trans	-60.2	-45.6	179.9	-71.8	170.2	3.5	0	0	112.4	A701 T702 L703 Y708 R709	A701-Q705 WeakPolarHBondContact O-CB 3.4Å; A701-Q705 VanDerWaalsContact O-CG 3.24Å; A701-Q705 WeakPolarHBondContact O-CG 3.37Å; A701-Q705 PolarHBondContact O-N 3.05Å; T702-Q705 PolarHBondContact O-N 3.34Å; L703-Q705 PolarHBondContact O-N 3Å; Q705-Y708 PolarHBondContact O-N 3.4Å; Q705-R709 WeakPolarHBondContact O-CB 3.3Å; Q705-R709 WeakPolarHBondContact O-CG 3.4Å; Q705-R709 PolarHBondContact O-N 3.45Å
706	K	97.3	Very high	95.3	Very high	129 Å²	129	98.6 Å²	98.6	56%	0.561	47%	0.468	S	S	*	.	H	α-helix	trans	-68.8	-38.2	-179.9	78.1	178.1	-179.5	176.6	0	112	T702 L703 I704 G710	T702-K706 WeakPolarHBondContact O-CB 3.3Å; T702-K706 WeakPolarHBondContact O-CG 3.31Å; T702-K706 PolarHBondContact O-N 3.11Å; L703-K706 WeakPolarHBondContact O-CG 3.44Å; L703-K706 PolarHBondContact O-N 3.35Å; I704-K706 PolarHBondContact O-N 3.07Å; K706-G710 PolarHBondContact O-N 3.43Å
707	I	97.6	Very high	95.6	Very high	108 Å²	108	102.3 Å²	102.3	55%	0.554	48%	0.483	S	S	*	.	H	α-helix	trans	-66.2	-45.2	176.8	-67.3	-67.4	0	0	0	110.1	L703 I704 G710 W711	L703-I707 HydrophobicContact CD1-CG1 3.99Å; L703-I707 WeakPolarHBondContact O-CB 3.33Å; L703-I707 WeakPolarHBondContact O-CG1 3.49Å; L703-I707 PolarHBondContact O-N 3.3Å; I704-I707 PolarHBondContact O-N 2.8Å; I707-G710 PolarHBondContact O-N 3.39Å; I707-W711 VanDerWaalsContact O-CB 3.3Å; I707-W711 WeakPolarHBondContact O-CB 3.48Å; I707-W711 PolarHBondContact O-N 3.32Å
708	Y	97.3	Very high	96	Very high	128 Å²	128	103.3 Å²	103.3	50%	0.502	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-48.8	175.7	171.5	-99.6	0	0	0	112.1	I704 Q705 G710 W711 R712	I704-Y708 WeakPolarHBondContact O-CB 3.42Å; I704-Y708 PolarHBondContact O-N 2.58Å; Q705-Y708 PolarHBondContact O-N 3.4Å; Y708-G710 VanDerWaalsContact C-N 3.33Å; Y708-G710 PolarHBondContact O-N 2.77Å; Y708-W711 HydrophobicContact CD2-CE3 4.25Å; Y708-W711 HydrophobicContact CE2-CE3 4.28Å; Y708-W711 HydrophobicContact CE2-CZ3 4.12Å; Y708-W711 PolarHBondContact O-N 3.25Å; Y708-R712 WeakPolarHBondContact O-CB 3.2Å; Y708-R712 PolarHBondContact O-N 3.31Å
709	R	97.6	Very high	96.2	Very high	157 Å²	157	103.5 Å²	103.5	59%	0.592	49%	0.489	S	S	*	.	H	α-helix	trans	-59.8	-44.3	176.9	-73	171.8	-178.2	171.3	2.4	111.2	Q705 R712 C713	Q705-R709 WeakPolarHBondContact O-CB 3.3Å; Q705-R709 WeakPolarHBondContact O-CG 3.4Å; Q705-R709 PolarHBondContact O-N 3.45Å; R709-R712 PolarHBondContact O-N 2.94Å; R709-C713 WeakPolarHBondContact O-CB 3.18Å; R709-C713 PolarHBondContact O-N 3.48Å; R709-C713 PolarHBondContact O-SG 3.14Å; R709-C713 VanDerWaalsContact O-SG 3.34Å
710	G	97.7	Very high	96.3	Very high	39 Å²	39	103.7 Å²	103.7	40%	0.402	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-47.3	176.7	0	0	0	0	0	112.8	K706 I707 Y708 R712 C713 R714	K706-G710 PolarHBondContact O-N 3.43Å; I707-G710 PolarHBondContact O-N 3.39Å; Y708-G710 VanDerWaalsContact C-N 3.33Å; Y708-G710 PolarHBondContact O-N 2.77Å; G710-R712 PolarHBondContact O-N 3.28Å; G710-C713 PolarHBondContact O-N 3.22Å; G710-R714 VanDerWaalsContact O-CB 3.26Å; G710-R714 WeakPolarHBondContact O-CB 3.47Å; G710-R714 PolarHBondContact O-N 3.47Å
711	W	97.9	Very high	96.4	Very high	155 Å²	155	109.3 Å²	109.3	59%	0.587	51%	0.511	S	S	*	.	H	α-helix	trans	-58.1	-47	175	169.1	83.6	0	0	0	111.6	I707 Y708 R714 T715	I707-W711 VanDerWaalsContact O-CB 3.3Å; I707-W711 WeakPolarHBondContact O-CB 3.48Å; I707-W711 PolarHBondContact O-N 3.32Å; Y708-W711 HydrophobicContact CD2-CE3 4.25Å; Y708-W711 HydrophobicContact CE2-CE3 4.28Å; Y708-W711 HydrophobicContact CE2-CZ3 4.12Å; Y708-W711 PolarHBondContact O-N 3.25Å; W711-R714 PolarHBondContact O-N 2.97Å; W711-T715 VanDerWaalsContact O-CB 3.31Å; W711-T715 WeakPolarHBondContact O-CB 3.46Å; W711-T715 PolarHBondContact O-N 3.46Å; W711-T715 PolarHBondContact O-OG1 2.82Å
712	R	97.4	Very high	96.5	Very high	157 Å²	157	114.6 Å²	114.6	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-60.1	-49.2	178.1	178.2	-178.2	155.4	-164.4	-7.1	111.4	Y708 R709 G710 T715 H716	Y708-R712 WeakPolarHBondContact O-CB 3.2Å; Y708-R712 PolarHBondContact O-N 3.31Å; R709-R712 PolarHBondContact O-N 2.94Å; G710-R712 PolarHBondContact O-N 3.28Å; R712-T715 PolarHBondContact O-N 2.91Å; R712-H716 WeakPolarHBondContact O-CB 3.26Å; R712-H716 PolarHBondContact O-N 3.37Å
713	C	96.8	Very high	96.4	Very high	85 Å²	85	114 Å²	114	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-43.2	178.8	-70.7	0	0	0	0	112.3	R709 G710 T715 H716 Y717	R709-C713 WeakPolarHBondContact O-CB 3.18Å; R709-C713 PolarHBondContact O-N 3.48Å; R709-C713 PolarHBondContact O-SG 3.14Å; R709-C713 VanDerWaalsContact O-SG 3.34Å; G710-C713 PolarHBondContact O-N 3.22Å; C713-T715 PolarHBondContact O-N 3.45Å; C713-H716 PolarHBondContact O-N 2.85Å; C713-Y717 WeakPolarHBondContact O-CB 3.17Å; C713-Y717 PolarHBondContact O-N 3.42Å
714	R	96.1	Very high	96.4	Very high	174 Å²	174	115.5 Å²	115.5	66%	0.657	53%	0.53	S	S	*	.	H	α-helix	trans	-62.1	-44.1	177.5	-177.2	175.8	-179	172.7	2	111.5	G710 W711 Y717 Q718	G710-R714 VanDerWaalsContact O-CB 3.26Å; G710-R714 WeakPolarHBondContact O-CB 3.47Å; G710-R714 PolarHBondContact O-N 3.47Å; W711-R714 PolarHBondContact O-N 2.97Å; R714-Y717 PolarHBondContact O-N 3.27Å; R714-Q718 WeakPolarHBondContact O-CB 3.24Å; R714-Q718 VanDerWaalsContact O-CG 3.31Å; R714-Q718 WeakPolarHBondContact O-CG 3.47Å; R714-Q718 PolarHBondContact O-N 2.91Å
715	T	96	Very high	96.4	Very high	49 Å²	49	113.4 Å²	113.4	30%	0.301	52%	0.519	S	S	.	.	H	α-helix	trans	-61.4	-46.1	177.3	-57.1	0	0	0	0	110.6	W711 R712 C713 Q718 L719	W711-T715 VanDerWaalsContact O-CB 3.31Å; W711-T715 WeakPolarHBondContact O-CB 3.46Å; W711-T715 PolarHBondContact O-N 3.46Å; W711-T715 PolarHBondContact O-OG1 2.82Å; R712-T715 PolarHBondContact O-N 2.91Å; C713-T715 PolarHBondContact O-N 3.45Å; T715-Q718 PolarHBondContact O-N 2.96Å; T715-L719 WeakPolarHBondContact O-CG 3.36Å; T715-L719 PolarHBondContact O-N 3.27Å; T715-L719 VanDerWaalsContact O-N 3.11Å
716	H	96.1	Very high	96.2	Very high	115 Å²	115	115 Å²	115	53%	0.532	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-46.3	176.4	-171	73.2	0	0	0	112.4	R712 C713 Q718 L719 M720	R712-H716 WeakPolarHBondContact O-CB 3.26Å; R712-H716 PolarHBondContact O-N 3.37Å; C713-H716 PolarHBondContact O-N 2.85Å; H716-Q718 VanDerWaalsContact C-N 3.35Å; H716-Q718 PolarHBondContact O-N 3.11Å; H716-L719 WeakPolarHBondContact O-CB 3.33Å; H716-L719 PolarHBondContact O-N 3.12Å; H716-M720 VanDerWaalsContact CD2-SD 3.59Å; H716-M720 WeakPolarHBondContact O-CG 3.4Å; H716-M720 PolarHBondContact O-N 3.3Å
717	Y	96.4	Very high	96.1	Very high	145 Å²	145	114.5 Å²	114.5	57%	0.569	53%	0.533	S	S	*	.	H	α-helix	trans	-60.7	-41.4	176.5	171.9	-106	0	0	0	112.4	C713 R714 L719 M720 R721	C713-Y717 WeakPolarHBondContact O-CB 3.17Å; C713-Y717 PolarHBondContact O-N 3.42Å; R714-Y717 PolarHBondContact O-N 3.27Å; Y717-L719 VanDerWaalsContact C-N 3.32Å; Y717-L719 PolarHBondContact O-N 3.49Å; Y717-M720 PolarHBondContact O-N 2.95Å; Y717-R721 WeakPolarHBondContact O-CB 3.18Å; Y717-R721 PolarHBondContact O-N 3.28Å
718	Q	96	Very high	95.8	Very high	90 Å²	90	111 Å²	111	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.3	-75.8	178.1	-7.7	0	0	112	R714 T715 H716 R721 K722	R714-Q718 WeakPolarHBondContact O-CB 3.24Å; R714-Q718 VanDerWaalsContact O-CG 3.31Å; R714-Q718 WeakPolarHBondContact O-CG 3.47Å; R714-Q718 PolarHBondContact O-N 2.91Å; T715-Q718 PolarHBondContact O-N 2.96Å; H716-Q718 VanDerWaalsContact C-N 3.35Å; H716-Q718 PolarHBondContact O-N 3.11Å; Q718-R721 PolarHBondContact O-N 3.41Å; Q718-K722 WeakPolarHBondContact O-CG 3.42Å; Q718-K722 PolarHBondContact O-N 3.49Å
719	L	95.2	Very high	95.6	Very high	101 Å²	101	107.1 Å²	107.1	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-44.8	173.4	-71.5	168.3	0	0	0	111.9	T715 H716 Y717 K722 S723	T715-L719 WeakPolarHBondContact O-CG 3.36Å; T715-L719 PolarHBondContact O-N 3.27Å; T715-L719 VanDerWaalsContact O-N 3.11Å; H716-L719 WeakPolarHBondContact O-CB 3.33Å; H716-L719 PolarHBondContact O-N 3.12Å; Y717-L719 VanDerWaalsContact C-N 3.32Å; Y717-L719 PolarHBondContact O-N 3.49Å; L719-K722 PolarHBondContact O-N 2.8Å; L719-S723 PolarHBondContact O-N 3.49Å; L719-S723 PolarHBondContact O-OG 2.79Å
720	M	95.3	Very high	95.3	Very high	109 Å²	109	108.7 Å²	108.7	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-46	175.1	-70.5	178.9	70	0	0	111.6	H716 Y717 S723 Q724	H716-M720 VanDerWaalsContact CD2-SD 3.59Å; H716-M720 WeakPolarHBondContact O-CG 3.4Å; H716-M720 PolarHBondContact O-N 3.3Å; Y717-M720 PolarHBondContact O-N 2.95Å; M720-S723 WeakPolarHBondContact O-CB 3.41Å; M720-S723 PolarHBondContact O-N 2.8Å; M720-Q724 WeakPolarHBondContact O-CB 2.96Å; M720-Q724 PolarHBondContact O-N 3.5Å
721	R	95.4	Very high	95.2	Very high	145 Å²	145	113 Å²	113	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-43.4	178.6	-176.5	179.3	173.1	-137.7	-0.4	111.7	Y717 Q718 S723 Q724 I725	Y717-R721 WeakPolarHBondContact O-CB 3.18Å; Y717-R721 PolarHBondContact O-N 3.28Å; Q718-R721 PolarHBondContact O-N 3.41Å; R721-S723 VanDerWaalsContact C-N 3.31Å; R721-S723 PolarHBondContact O-N 3.19Å; R721-Q724 PolarHBondContact O-N 2.96Å; R721-I725 HydrophobicContact CG-CD1 3.94Å; R721-I725 HydrophobicContact CG-CG1 4.45Å; R721-I725 VanDerWaalsContact O-CG1 3.28Å; R721-I725 WeakPolarHBondContact O-CG1 3.44Å; R721-I725 PolarHBondContact O-N 3.07Å
722	K	95.1	Very high	94.9	Very high	153 Å²	153	113.4 Å²	113.4	67%	0.665	53%	0.528	S	S	*	.	H	α-helix	trans	-57.6	-45.7	173.6	-77.6	-179.8	-179.9	-176.6	0	111.1	Q718 L719 I725 L726	Q718-K722 WeakPolarHBondContact O-CG 3.42Å; Q718-K722 PolarHBondContact O-N 3.49Å; L719-K722 PolarHBondContact O-N 2.8Å; K722-I725 PolarHBondContact O-N 2.76Å; K722-L726 WeakPolarHBondContact O-CB 3.42Å; K722-L726 PolarHBondContact O-N 3.29Å
723	S	94.7	Very high	94.7	Very high	65 Å²	65	107.4 Å²	107.4	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-43.7	177.8	-54.1	0	0	0	0	111.8	L719 M720 R721 L726 I727	L719-S723 PolarHBondContact O-N 3.49Å; L719-S723 PolarHBondContact O-OG 2.79Å; M720-S723 WeakPolarHBondContact O-CB 3.41Å; M720-S723 PolarHBondContact O-N 2.8Å; R721-S723 VanDerWaalsContact C-N 3.31Å; R721-S723 PolarHBondContact O-N 3.19Å; S723-L726 WeakPolarHBondContact O-CB 3.32Å; S723-L726 PolarHBondContact O-N 2.85Å; S723-I727 VanDerWaalsContact O-CG1 3.27Å; S723-I727 WeakPolarHBondContact O-CG1 3.33Å; S723-I727 PolarHBondContact O-N 2.9Å
724	Q	95.9	Very high	94.5	Very high	104 Å²	104	106 Å²	106	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-44.8	177.7	-173.6	-79.8	-24.9	0	0	111.8	M720 R721 L726 I727 S728	M720-Q724 WeakPolarHBondContact O-CB 2.96Å; M720-Q724 PolarHBondContact O-N 3.5Å; R721-Q724 PolarHBondContact O-N 2.96Å; Q724-L726 VanDerWaalsContact C-N 3.32Å; Q724-L726 PolarHBondContact O-N 3.39Å; Q724-I727 PolarHBondContact O-N 2.94Å; Q724-S728 PolarHBondContact NE2-OG 3.46Å; Q724-S728 WeakPolarHBondContact O-CB 3.35Å; Q724-S728 PolarHBondContact O-N 3.08Å; Q724-S728 PolarHBondContact O-OG 2.85Å
725	I	95.3	Very high	94.3	Very high	80 Å²	80	101 Å²	101	41%	0.41	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.5	-69.6	166.6	0	0	0	110.2	R721 K722 S728 A729	R721-I725 HydrophobicContact CG-CD1 3.94Å; R721-I725 HydrophobicContact CG-CG1 4.45Å; R721-I725 VanDerWaalsContact O-CG1 3.28Å; R721-I725 WeakPolarHBondContact O-CG1 3.44Å; R721-I725 PolarHBondContact O-N 3.07Å; K722-I725 PolarHBondContact O-N 2.76Å; I725-S728 PolarHBondContact O-N 3.23Å; I725-A729 VanDerWaalsContact O-CB 3.28Å; I725-A729 WeakPolarHBondContact O-CB 3.39Å; I725-A729 PolarHBondContact O-N 3Å
726	L	93.9	Very high	94.2	Very high	128 Å²	128	104.3 Å²	104.3	67%	0.67	50%	0.503	S	S	*	.	H	α-helix	trans	-60	-48.9	177.7	-171.6	76	0	0	0	111.2	K722 S723 Q724 A729 W730	K722-L726 WeakPolarHBondContact O-CB 3.42Å; K722-L726 PolarHBondContact O-N 3.29Å; S723-L726 WeakPolarHBondContact O-CB 3.32Å; S723-L726 PolarHBondContact O-N 2.85Å; Q724-L726 VanDerWaalsContact C-N 3.32Å; Q724-L726 PolarHBondContact O-N 3.39Å; L726-A729 PolarHBondContact O-N 3.18Å; L726-W730 WeakPolarHBondContact O-CB 3.36Å; L726-W730 PolarHBondContact O-N 2.71Å
727	I	93.8	Very high	93.8	Very high	118 Å²	118	106.3 Å²	106.3	61%	0.605	51%	0.51	S	S	*	.	H	α-helix	trans	-61.5	-46.5	178.2	-68	165.7	0	0	0	110.7	S723 Q724 W730 F731	S723-I727 VanDerWaalsContact O-CG1 3.27Å; S723-I727 WeakPolarHBondContact O-CG1 3.33Å; S723-I727 PolarHBondContact O-N 2.9Å; Q724-I727 PolarHBondContact O-N 2.94Å; I727-W730 PolarHBondContact O-N 3Å; I727-F731 WeakPolarHBondContact O-CB 3.46Å; I727-F731 PolarHBondContact O-N 3.24Å
728	S	91.8	Very high	93.5	Very high	33 Å²	33	106 Å²	106	23%	0.231	51%	0.511	C	S	.	.	H	α-helix	trans	-65.6	-37.7	178.2	-70.9	0	0	0	0	113	Q724 I725 F731 R732	Q724-S728 PolarHBondContact NE2-OG 3.46Å; Q724-S728 WeakPolarHBondContact O-CB 3.35Å; Q724-S728 PolarHBondContact O-N 3.08Å; Q724-S728 PolarHBondContact O-OG 2.85Å; I725-S728 PolarHBondContact O-N 3.23Å; S728-F731 PolarHBondContact O-N 3.03Å; S728-R732 WeakPolarHBondContact O-CB 3.03Å; S728-R732 WeakPolarHBondContact O-CG 3.33Å; S728-R732 PolarHBondContact O-N 3.33Å
729	A	92.7	Very high	93.2	Very high	48 Å²	48	106.3 Å²	106.3	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-44.9	174.3	0	0	0	0	0	111.1	I725 L726 R732 G733	I725-A729 VanDerWaalsContact O-CB 3.28Å; I725-A729 WeakPolarHBondContact O-CB 3.39Å; I725-A729 PolarHBondContact O-N 3Å; L726-A729 PolarHBondContact O-N 3.18Å; A729-R732 PolarHBondContact O-N 2.91Å; A729-G733 PolarHBondContact O-N 2.81Å
730	W	92.8	Very high	93	Very high	189 Å²	189	108.2 Å²	108.2	72%	0.716	51%	0.514	S	S	*	.	H	α-helix	trans	-63.5	-43.1	176.6	-162.9	90.4	0	0	0	111.9	L726 I727 G733 N734	L726-W730 WeakPolarHBondContact O-CB 3.36Å; L726-W730 PolarHBondContact O-N 2.71Å; I727-W730 PolarHBondContact O-N 3Å; W730-G733 PolarHBondContact O-N 3.47Å; W730-N734 HydrophobicContact CZ3-CB 4.49Å; W730-N734 WeakPolarHBondContact O-CB 3.48Å; W730-N734 PolarHBondContact O-N 2.87Å
731	F	94	Very high	92.7	Very high	131 Å²	131	104.8 Å²	104.8	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-50.4	175.4	-179.2	-95.6	0	0	0	112.2	I727 S728 G733 N734 V735	I727-F731 WeakPolarHBondContact O-CB 3.46Å; I727-F731 PolarHBondContact O-N 3.24Å; S728-F731 PolarHBondContact O-N 3.03Å; F731-G733 VanDerWaalsContact C-N 3.31Å; F731-G733 PolarHBondContact O-N 3.36Å; F731-N734 WeakPolarHBondContact O-CB 3.45Å; F731-N734 PolarHBondContact O-N 2.86Å; F731-N734 VanDerWaalsContact O-N 3.11Å; F731-V735 HydrophobicContact CD1-CG2 4.06Å; F731-V735 HydrophobicContact CE1-CG2 3.64Å; F731-V735 HydrophobicContact CE2-CG2 4.32Å; F731-V735 HydrophobicContact CZ-CG2 3.79Å; F731-V735 WeakPolarHBondContact O-CG2 3.44Å; F731-V735 PolarHBondContact O-N 2.82Å
732	R	92.4	Very high	92.5	Very high	162 Å²	162	105 Å²	105	61%	0.611	51%	0.511	S	S	*	.	H	α-helix	trans	-57.9	-43.6	176.1	-74.7	-172.4	-63.5	-119.9	1.9	111.5	S728 A729 N734 V735 Q736	S728-R732 WeakPolarHBondContact O-CB 3.03Å; S728-R732 WeakPolarHBondContact O-CG 3.33Å; S728-R732 PolarHBondContact O-N 3.33Å; A729-R732 PolarHBondContact O-N 2.91Å; R732-N734 VanDerWaalsContact C-N 3.34Å; R732-N734 PolarHBondContact O-N 3.18Å; R732-V735 PolarHBondContact O-N 3.21Å; R732-Q736 PolarHBondContact O-N 3.15Å
733	G	92.3	Very high	92.2	Very high	32 Å²	32	101.5 Å²	101.5	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.8	0	0	0	0	0	112.5	A729 W730 F731 Q736 K737	A729-G733 PolarHBondContact O-N 2.81Å; W730-G733 PolarHBondContact O-N 3.47Å; F731-G733 VanDerWaalsContact C-N 3.31Å; F731-G733 PolarHBondContact O-N 3.36Å; G733-Q736 PolarHBondContact O-N 3.48Å; G733-K737 WeakPolarHBondContact O-CB 3.26Å; G733-K737 VanDerWaalsContact O-CG 3.28Å; G733-K737 WeakPolarHBondContact O-CG 3.41Å; G733-K737 PolarHBondContact O-N 3.01Å
734	N	92.6	Very high	91.9	Very high	55 Å²	55	103.8 Å²	103.8	29%	0.294	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-40.6	176.9	-168.4	34.7	0	0	0	112.5	W730 F731 R732 K737 K738	W730-N734 HydrophobicContact CZ3-CB 4.49Å; W730-N734 WeakPolarHBondContact O-CB 3.48Å; W730-N734 PolarHBondContact O-N 2.87Å; F731-N734 WeakPolarHBondContact O-CB 3.45Å; F731-N734 PolarHBondContact O-N 2.86Å; F731-N734 VanDerWaalsContact O-N 3.11Å; R732-N734 VanDerWaalsContact C-N 3.34Å; R732-N734 PolarHBondContact O-N 3.18Å; N734-K737 PolarHBondContact O-N 3.5Å; N734-K738 WeakPolarHBondContact O-CG 3.32Å; N734-K738 PolarHBondContact O-N 2.71Å
735	V	93.4	Very high	91.5	Very high	69 Å²	69	101.6 Å²	101.6	42%	0.418	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-46.7	174.7	171.6	0	0	0	0	110.7	F731 R732 K737 K738 H739	F731-V735 HydrophobicContact CD1-CG2 4.06Å; F731-V735 HydrophobicContact CE1-CG2 3.64Å; F731-V735 HydrophobicContact CE2-CG2 4.32Å; F731-V735 HydrophobicContact CZ-CG2 3.79Å; F731-V735 WeakPolarHBondContact O-CG2 3.44Å; F731-V735 PolarHBondContact O-N 2.82Å; R732-V735 PolarHBondContact O-N 3.21Å; V735-K737 PolarHBondContact O-N 2.96Å; V735-K738 PolarHBondContact O-N 2.91Å; V735-H739 PolarHBondContact O-N 3Å
736	Q	92.2	Very high	91.1	Very high	119 Å²	119	100.8 Å²	100.8	56%	0.556	50%	0.502	S	S	*	.	H	α-helix	trans	-64.1	-40.6	177.4	-171.9	62.1	19.7	0	0	111.9	R732 G733 K738 H739 Y740	R732-Q736 PolarHBondContact O-N 3.15Å; G733-Q736 PolarHBondContact O-N 3.48Å; Q736-K738 VanDerWaalsContact C-N 3.33Å; Q736-K738 PolarHBondContact O-N 3.21Å; Q736-H739 PolarHBondContact O-N 3.22Å; Q736-Y740 WeakPolarHBondContact O-CB 3.4Å; Q736-Y740 PolarHBondContact O-N 3.3Å
737	K	89.2	Confident	90.8	Very high	157 Å²	157	97.8 Å²	97.8	68%	0.683	49%	0.489	S	S	*	.	H	α-helix	trans	-58.7	-43.6	173.6	-77.1	174.6	-179.2	-178	0	111.7	G733 N734 V735 G741	G733-K737 WeakPolarHBondContact O-CB 3.26Å; G733-K737 VanDerWaalsContact O-CG 3.28Å; G733-K737 WeakPolarHBondContact O-CG 3.41Å; G733-K737 PolarHBondContact O-N 3.01Å; N734-K737 PolarHBondContact O-N 3.5Å; V735-K737 PolarHBondContact O-N 2.96Å; K737-G741 PolarHBondContact O-N 3.44Å
738	K	88.9	Confident	90.6	Very high	138 Å²	138	96.4 Å²	96.4	60%	0.6	48%	0.482	S	S	*	.	H	α-helix	trans	-64.8	-42.8	174.6	-75.5	-176.6	178.2	-177.6	0	112.1	N734 V735 Q736 G741 K742	N734-K738 WeakPolarHBondContact O-CG 3.32Å; N734-K738 PolarHBondContact O-N 2.71Å; V735-K738 PolarHBondContact O-N 2.91Å; Q736-K738 VanDerWaalsContact C-N 3.33Å; Q736-K738 PolarHBondContact O-N 3.21Å; K738-G741 PolarHBondContact O-N 3.44Å; K738-K742 PolarHBondContact O-N 3.36Å
739	H	90.4	Very high	90.3	Very high	97 Å²	97	99.7 Å²	99.7	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-45.6	178.3	-173	71.4	0	0	0	111.9	V735 Q736 G741 K742 I743	V735-H739 PolarHBondContact O-N 3Å; Q736-H739 PolarHBondContact O-N 3.22Å; H739-G741 VanDerWaalsContact C-N 3.29Å; H739-G741 PolarHBondContact O-N 3.3Å; H739-K742 WeakPolarHBondContact O-CA 3.23Å; H739-K742 WeakPolarHBondContact O-CB 3.42Å; H739-K742 PolarHBondContact O-N 2.91Å; H739-I743 WeakPolarHBondContact NE2-CD1 3.39Å; H739-I743 PolarHBondContact O-N 3.27Å
740	Y	90.6	Very high	90	Very high	140 Å²	140	102.6 Å²	102.6	55%	0.549	50%	0.504	S	S	.	.	H	α-helix	trans	-58.9	-40.8	171.4	178.1	-99.6	0	0	0	111.6	Q736 K742 I743 K744	Q736-Y740 WeakPolarHBondContact O-CB 3.4Å; Q736-Y740 PolarHBondContact O-N 3.3Å; Y740-K742 VanDerWaalsContact C-N 3.3Å; Y740-K742 PolarHBondContact O-N 3.41Å; Y740-I743 PolarHBondContact O-N 3.33Å; Y740-K744 HydrophobicContact CE1-CB 4.47Å; Y740-K744 HydrophobicContact CE1-CD 4.17Å; Y740-K744 VanDerWaalsContact O-CB 3.24Å; Y740-K744 WeakPolarHBondContact O-CB 3.48Å; Y740-K744 PolarHBondContact O-N 2.66Å
741	G	90.3	Very high	89.7	Confident	37 Å²	37	97.4 Å²	97.4	38%	0.381	49%	0.488	S	S	.	.	H	α-helix	trans	-56.4	-41.8	172.3	0	0	0	0	0	112.9	K737 K738 H739 A745	K737-G741 PolarHBondContact O-N 3.44Å; K738-G741 PolarHBondContact O-N 3.44Å; H739-G741 VanDerWaalsContact C-N 3.29Å; H739-G741 PolarHBondContact O-N 3.3Å; G741-A745 WeakPolarHBondContact O-CB 3.35Å; G741-A745 PolarHBondContact O-N 3Å
742	K	89.3	Confident	89.2	Confident	151 Å²	151	93.8 Å²	93.8	66%	0.657	48%	0.482	S	S	*	.	H	α-helix	trans	-66.9	-47.2	173.9	-68.5	-179.4	179.5	-175.2	0	112.3	K738 H739 Y740 K744 A745 S746	K738-K742 PolarHBondContact O-N 3.36Å; H739-K742 WeakPolarHBondContact O-CA 3.23Å; H739-K742 WeakPolarHBondContact O-CB 3.42Å; H739-K742 PolarHBondContact O-N 2.91Å; Y740-K742 VanDerWaalsContact C-N 3.3Å; Y740-K742 PolarHBondContact O-N 3.41Å; K742-K744 VanDerWaalsContact C-N 3.33Å; K742-K744 PolarHBondContact O-N 3.21Å; K742-A745 WeakPolarHBondContact O-CB 3.14Å; K742-A745 PolarHBondContact O-N 3.33Å; K742-S746 PolarHBondContact O-N 3.5Å; K742-S746 PolarHBondContact O-OG 3.4Å
743	I	88.7	Confident	88.9	Confident	78 Å²	78	92.2 Å²	92.2	40%	0.4	48%	0.48	S	S	.	.	H	α-helix	trans	-58.2	-47.8	175.9	-68.2	172.4	0	0	0	110	H739 Y740 A745 S746 V747	H739-I743 WeakPolarHBondContact NE2-CD1 3.39Å; H739-I743 PolarHBondContact O-N 3.27Å; Y740-I743 PolarHBondContact O-N 3.33Å; I743-A745 VanDerWaalsContact C-N 3.31Å; I743-A745 PolarHBondContact O-N 3.11Å; I743-S746 CarbonylContact O-C 3.47Å; I743-S746 PolarHBondContact O-N 3.29Å; I743-S746 VanDerWaalsContact O-N 3.16Å; I743-V747 HydrophobicContact CG2-CG2 4.09Å; I743-V747 WeakPolarHBondContact O-CB 3.34Å; I743-V747 VanDerWaalsContact O-CG2 3.31Å; I743-V747 WeakPolarHBondContact O-CG2 3.33Å; I743-V747 PolarHBondContact O-N 3.45Å
744	K	89.9	Confident	88.6	Confident	114 Å²	114	94.7 Å²	94.7	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-58.3	-44.2	177.2	-173.4	179.1	-179.6	179.7	0	110.8	Y740 K742 V747 L748	Y740-K744 HydrophobicContact CE1-CB 4.47Å; Y740-K744 HydrophobicContact CE1-CD 4.17Å; Y740-K744 VanDerWaalsContact O-CB 3.24Å; Y740-K744 WeakPolarHBondContact O-CB 3.48Å; Y740-K744 PolarHBondContact O-N 2.66Å; K742-K744 VanDerWaalsContact C-N 3.33Å; K742-K744 PolarHBondContact O-N 3.21Å; K744-V747 PolarHBondContact O-N 3.2Å; K744-L748 HydrophobicContact CG-CD1 4.07Å; K744-L748 HydrophobicContact CG-CG 4.44Å; K744-L748 VanDerWaalsContact O-CB 3.28Å; K744-L748 WeakPolarHBondContact O-CB 3.26Å; K744-L748 WeakPolarHBondContact O-CG 3.45Å; K744-L748 PolarHBondContact O-N 2.94Å
745	A	85.9	Confident	88.3	Confident	57 Å²	57	100 Å²	100	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-43.5	175.1	0	0	0	0	0	112.3	G741 K742 I743 L748 L749	G741-A745 WeakPolarHBondContact O-CB 3.35Å; G741-A745 PolarHBondContact O-N 3Å; K742-A745 WeakPolarHBondContact O-CB 3.14Å; K742-A745 PolarHBondContact O-N 3.33Å; I743-A745 VanDerWaalsContact C-N 3.31Å; I743-A745 PolarHBondContact O-N 3.11Å; A745-L748 PolarHBondContact O-N 2.66Å; A745-L749 VanDerWaalsContact O-CB 3.32Å; A745-L749 WeakPolarHBondContact O-CB 3.5Å; A745-L749 PolarHBondContact O-N 2.95Å
746	S	87.9	Confident	87.7	Confident	64 Å²	64	97.6 Å²	97.6	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-41.7	175.7	-60.8	0	0	0	0	112.6	K742 I743 L749 I750	K742-S746 PolarHBondContact O-N 3.5Å; K742-S746 PolarHBondContact O-OG 3.4Å; I743-S746 CarbonylContact O-C 3.47Å; I743-S746 PolarHBondContact O-N 3.29Å; I743-S746 VanDerWaalsContact O-N 3.16Å; S746-L749 WeakPolarHBondContact O-CB 3.41Å; S746-L749 PolarHBondContact O-N 2.87Å; S746-I750 VanDerWaalsContact O-CG1 3.29Å; S746-I750 WeakPolarHBondContact O-CG1 3.15Å; S746-I750 PolarHBondContact O-N 2.82Å
747	V	88.6	Confident	87.3	Confident	65 Å²	65	99.1 Å²	99.1	39%	0.394	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-44.4	175	170.3	0	0	0	0	110.3	I743 K744 L749 I750 Q751	I743-V747 HydrophobicContact CG2-CG2 4.09Å; I743-V747 WeakPolarHBondContact O-CB 3.34Å; I743-V747 VanDerWaalsContact O-CG2 3.31Å; I743-V747 WeakPolarHBondContact O-CG2 3.33Å; I743-V747 PolarHBondContact O-N 3.45Å; K744-V747 PolarHBondContact O-N 3.2Å; V747-L749 VanDerWaalsContact C-N 3.27Å; V747-L749 PolarHBondContact O-N 3.21Å; V747-I750 PolarHBondContact O-N 3.24Å; V747-Q751 HydrophobicContact CG1-CG 4.29Å; V747-Q751 VanDerWaalsContact O-CB 3.31Å; V747-Q751 WeakPolarHBondContact O-CB 3.32Å; V747-Q751 VanDerWaalsContact O-CG 3.24Å; V747-Q751 WeakPolarHBondContact O-CG 3.29Å; V747-Q751 PolarHBondContact O-N 3.38Å
748	L	87.8	Confident	86.9	Confident	89 Å²	89	98.1 Å²	98.1	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-38	173.7	-74.3	170.4	0	0	0	111.3	K744 A745 A752	K744-L748 HydrophobicContact CG-CD1 4.07Å; K744-L748 HydrophobicContact CG-CG 4.44Å; K744-L748 VanDerWaalsContact O-CB 3.28Å; K744-L748 WeakPolarHBondContact O-CB 3.26Å; K744-L748 WeakPolarHBondContact O-CG 3.45Å; K744-L748 PolarHBondContact O-N 2.94Å; A745-L748 PolarHBondContact O-N 2.66Å; L748-A752 WeakPolarHBondContact O-CB 3.36Å; L748-A752 PolarHBondContact O-N 3.06Å
749	L	85.8	Confident	86.2	Confident	102 Å²	102	94 Å²	94	53%	0.534	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-46.1	175.4	-175.9	69.2	0	0	0	111.5	A745 S746 V747 A752 F753	A745-L749 VanDerWaalsContact O-CB 3.32Å; A745-L749 WeakPolarHBondContact O-CB 3.5Å; A745-L749 PolarHBondContact O-N 2.95Å; S746-L749 WeakPolarHBondContact O-CB 3.41Å; S746-L749 PolarHBondContact O-N 2.87Å; V747-L749 VanDerWaalsContact C-N 3.27Å; V747-L749 PolarHBondContact O-N 3.21Å; L749-A752 CarbonylContact O-C 3.6Å; L749-A752 PolarHBondContact O-N 3.14Å; L749-F753 HydrophobicContact CD1-CD2 4.13Å; L749-F753 HydrophobicContact CD1-CE2 4.15Å; L749-F753 HydrophobicContact CG-CD2 4.13Å; L749-F753 HydrophobicContact CG-CE2 4.39Å; L749-F753 WeakPolarHBondContact O-CB 3.07Å; L749-F753 PolarHBondContact O-N 2.89Å
750	I	87.3	Confident	85.3	Confident	109 Å²	109	95.7 Å²	95.7	56%	0.559	48%	0.484	S	S	*	.	H	α-helix	trans	-62.3	-46.5	175.4	-68	164.6	0	0	0	110	S746 V747 A752 F753 V754	S746-I750 VanDerWaalsContact O-CG1 3.29Å; S746-I750 WeakPolarHBondContact O-CG1 3.15Å; S746-I750 PolarHBondContact O-N 2.82Å; V747-I750 PolarHBondContact O-N 3.24Å; I750-A752 VanDerWaalsContact C-N 3.33Å; I750-A752 PolarHBondContact O-N 3.44Å; I750-F753 PolarHBondContact O-N 3.37Å; I750-F753 VanDerWaalsContact O-N 3.17Å; I750-V754 HydrophobicContact CG2-CG2 4.35Å; I750-V754 WeakPolarHBondContact O-CB 3.29Å; I750-V754 WeakPolarHBondContact O-CG2 3.22Å; I750-V754 PolarHBondContact O-N 3.23Å
751	Q	86.5	Confident	84.3	Confident	79 Å²	79	95.5 Å²	95.5	37%	0.369	49%	0.486	S	S	.	.	H	α-helix	trans	-59.5	-42.7	175.1	-74.8	176.8	-12	0	0	111.4	V747 V754 R755	V747-Q751 HydrophobicContact CG1-CG 4.29Å; V747-Q751 VanDerWaalsContact O-CB 3.31Å; V747-Q751 WeakPolarHBondContact O-CB 3.32Å; V747-Q751 VanDerWaalsContact O-CG 3.24Å; V747-Q751 WeakPolarHBondContact O-CG 3.29Å; V747-Q751 PolarHBondContact O-N 3.38Å; Q751-V754 PolarHBondContact O-N 3.17Å; Q751-R755 WeakPolarHBondContact O-CB 3.44Å; Q751-R755 WeakPolarHBondContact O-CD 3.05Å; Q751-R755 WeakPolarHBondContact O-CG 3.29Å; Q751-R755 PolarHBondContact O-N 2.69Å
752	A	84.1	Confident	83.2	Confident	56 Å²	56	98.6 Å²	98.6	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-37.7	175.3	0	0	0	0	0	111.8	L748 L749 I750 G756	L748-A752 WeakPolarHBondContact O-CB 3.36Å; L748-A752 PolarHBondContact O-N 3.06Å; L749-A752 CarbonylContact O-C 3.6Å; L749-A752 PolarHBondContact O-N 3.14Å; I750-A752 VanDerWaalsContact C-N 3.33Å; I750-A752 PolarHBondContact O-N 3.44Å; A752-G756 WeakPolarHBondContact O-CA 3.37Å; A752-G756 PolarHBondContact O-N 2.93Å
753	F	85.1	Confident	81.6	Confident	129 Å²	129	99 Å²	99	57%	0.566	49%	0.492	S	S	*	.	H	α-helix	trans	-66.8	-44.4	174.3	-104.8	-83.8	0	0	0	112.2	L749 I750 G756 W757	L749-F753 HydrophobicContact CD1-CD2 4.13Å; L749-F753 HydrophobicContact CD1-CE2 4.15Å; L749-F753 HydrophobicContact CG-CD2 4.13Å; L749-F753 HydrophobicContact CG-CE2 4.39Å; L749-F753 WeakPolarHBondContact O-CB 3.07Å; L749-F753 PolarHBondContact O-N 2.89Å; I750-F753 PolarHBondContact O-N 3.37Å; I750-F753 VanDerWaalsContact O-N 3.17Å; F753-G756 CarbonylContact O-C 3.57Å; F753-G756 PolarHBondContact O-N 3.06Å; F753-W757 WeakPolarHBondContact O-CB 3.3Å; F753-W757 PolarHBondContact O-N 3.39Å
754	V	85.5	Confident	80	Confident	83 Å²	83	105.6 Å²	105.6	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-46.7	177.1	171.3	0	0	0	0	110.5	I750 Q751 G756 W757 K758	I750-V754 HydrophobicContact CG2-CG2 4.35Å; I750-V754 WeakPolarHBondContact O-CB 3.29Å; I750-V754 WeakPolarHBondContact O-CG2 3.22Å; I750-V754 PolarHBondContact O-N 3.23Å; Q751-V754 PolarHBondContact O-N 3.17Å; V754-G756 VanDerWaalsContact C-N 3.33Å; V754-G756 PolarHBondContact O-N 2.97Å; V754-W757 PolarHBondContact O-N 3.49Å; V754-K758 VanDerWaalsContact O-CB 3.29Å; V754-K758 WeakPolarHBondContact O-CB 3.37Å; V754-K758 PolarHBondContact O-N 3.33Å
755	R	85.8	Confident	78.3	Confident	168 Å²	168	109.2 Å²	109.2	63%	0.634	53%	0.528	S	S	*	.	H	α-helix	trans	-60.6	-43.1	173.8	-72.2	170.2	-177	174.1	1.7	111	Q751 K758 A759	Q751-R755 WeakPolarHBondContact O-CB 3.44Å; Q751-R755 WeakPolarHBondContact O-CD 3.05Å; Q751-R755 WeakPolarHBondContact O-CG 3.29Å; Q751-R755 PolarHBondContact O-N 2.69Å; R755-K758 PolarHBondContact O-N 2.97Å; R755-A759 VanDerWaalsContact O-CB 3.3Å; R755-A759 WeakPolarHBondContact O-CB 3.37Å; R755-A759 PolarHBondContact O-N 2.98Å
756	G	81.1	Confident	76.6	Confident	17 Å²	17	114.8 Å²	114.8	18%	0.175	54%	0.538	C	S	.	.	H	α-helix	trans	-68.9	-36.6	177.1	0	0	0	0	0	113.5	A752 F753 V754 A759 R760	A752-G756 WeakPolarHBondContact O-CA 3.37Å; A752-G756 PolarHBondContact O-N 2.93Å; F753-G756 CarbonylContact O-C 3.57Å; F753-G756 PolarHBondContact O-N 3.06Å; V754-G756 VanDerWaalsContact C-N 3.33Å; V754-G756 PolarHBondContact O-N 2.97Å; G756-A759 PolarHBondContact O-N 3.18Å; G756-R760 WeakPolarHBondContact O-CB 3.29Å; G756-R760 VanDerWaalsContact O-CG 3.25Å; G756-R760 WeakPolarHBondContact O-CG 3.31Å; G756-R760 VanDerWaalsContact O-CZ 3.29Å; G756-R760 PolarHBondContact O-N 2.61Å; G756-R760 PolarHBondContact O-NE 3.43Å; G756-R760 PolarHBondContact O-NH1 3.2Å
757	W	83.8	Confident	74.6	Confident	151 Å²	151	118.9 Å²	118.9	57%	0.572	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-43.5	173.6	170.2	87.5	0	0	0	110.6	F753 V754 A759 R760 K761	F753-W757 WeakPolarHBondContact O-CB 3.3Å; F753-W757 PolarHBondContact O-N 3.39Å; V754-W757 PolarHBondContact O-N 3.49Å; W757-A759 VanDerWaalsContact C-N 3.32Å; W757-A759 PolarHBondContact O-N 3.06Å; W757-R760 PolarHBondContact O-N 2.85Å; W757-K761 HydrophobicContact CH2-CD 4.21Å; W757-K761 HydrophobicContact CZ2-CD 4.24Å; W757-K761 WeakPolarHBondContact O-CB 3.42Å; W757-K761 PolarHBondContact O-N 3.45Å
758	K	81.1	Confident	72.9	Confident	136 Å²	136	128 Å²	128	59%	0.591	58%	0.575	S	S	*	*	H	α-helix	trans	-60.6	-42.9	173.2	-164	172.8	-176	177.8	0	110.8	V754 R755 K761 N762	V754-K758 VanDerWaalsContact O-CB 3.29Å; V754-K758 WeakPolarHBondContact O-CB 3.37Å; V754-K758 PolarHBondContact O-N 3.33Å; R755-K758 PolarHBondContact O-N 2.97Å; K758-K761 PolarHBondContact O-N 2.89Å; K758-N762 PolarHBondContact O-N 2.95Å
759	A	74.9	Confident	71.4	Confident	53 Å²	53	128.8 Å²	128.8	44%	0.438	59%	0.588	S	S	.	*	H	α-helix	trans	-62.8	-47.9	173.2	0	0	0	0	0	112	R755 G756 W757 K761 N762 Y763	R755-A759 VanDerWaalsContact O-CB 3.3Å; R755-A759 WeakPolarHBondContact O-CB 3.37Å; R755-A759 PolarHBondContact O-N 2.98Å; G756-A759 PolarHBondContact O-N 3.18Å; W757-A759 VanDerWaalsContact C-N 3.32Å; W757-A759 PolarHBondContact O-N 3.06Å; A759-K761 PolarHBondContact O-N 2.95Å; A759-N762 CarbonylContact O-C 3.52Å; A759-N762 WeakPolarHBondContact O-CA 3.2Å; A759-N762 WeakPolarHBondContact O-CB 3.45Å; A759-N762 PolarHBondContact O-N 3.39Å; A759-N762 VanDerWaalsContact O-N 3.12Å; A759-Y763 VanDerWaalsContact O-CB 3.26Å; A759-Y763 WeakPolarHBondContact O-CB 3.47Å; A759-Y763 PolarHBondContact O-N 2.91Å
760	R	71.3	Confident	70	Confident	131 Å²	131	131.5 Å²	131.5	49%	0.494	60%	0.598	S	S	.	*	H	α-helix	trans	-64.2	-34.9	177.1	-75.7	-179.2	-65.7	-91.3	4	113.3	G756 W757 N762 Y763 R764	G756-R760 WeakPolarHBondContact O-CB 3.29Å; G756-R760 VanDerWaalsContact O-CG 3.25Å; G756-R760 WeakPolarHBondContact O-CG 3.31Å; G756-R760 VanDerWaalsContact O-CZ 3.29Å; G756-R760 PolarHBondContact O-N 2.61Å; G756-R760 PolarHBondContact O-NE 3.43Å; G756-R760 PolarHBondContact O-NH1 3.2Å; W757-R760 PolarHBondContact O-N 2.85Å; R760-N762 VanDerWaalsContact C-N 3.34Å; R760-Y763 PolarHBondContact O-N 3.48Å; R760-R764 PolarHBondContact O-N 3.41Å
761	K	70.6	Confident	68.8	Low	136 Å²	136	129.4 Å²	129.4	59%	0.591	60%	0.597	S	S	*	*	H	α-helix	trans	-63.8	-41.8	171.7	-171.9	179.1	179.9	179.4	0	110.7	W757 K758 A759	W757-K761 HydrophobicContact CH2-CD 4.21Å; W757-K761 HydrophobicContact CZ2-CD 4.24Å; W757-K761 WeakPolarHBondContact O-CB 3.42Å; W757-K761 PolarHBondContact O-N 3.45Å; K758-K761 PolarHBondContact O-N 2.89Å; A759-K761 PolarHBondContact O-N 2.95Å
762	N	66.9	Low	67.4	Low	103 Å²	103	129.8 Å²	129.8	55%	0.551	61%	0.614	S	S	*	*	H	α-helix	trans	-69.6	-32.8	172.5	-69.7	-6.7	0	0	0	112.5	K758 A759 R760 K765 Y766	K758-N762 PolarHBondContact O-N 2.95Å; A759-N762 CarbonylContact O-C 3.52Å; A759-N762 WeakPolarHBondContact O-CA 3.2Å; A759-N762 WeakPolarHBondContact O-CB 3.45Å; A759-N762 PolarHBondContact O-N 3.39Å; A759-N762 VanDerWaalsContact O-N 3.12Å; R760-N762 VanDerWaalsContact C-N 3.34Å; N762-K765 WeakPolarHBondContact O-CB 3.34Å; N762-Y766 WeakPolarHBondContact O-CD2 3.21Å
763	Y	55.3	Low	66.2	Low	158 Å²	158	133.8 Å²	133.8	62%	0.62	63%	0.627	S	S	*	*	H	α-helix	trans	-82.1	-25.7	-176.8	-145.7	-96.2	0	0	0	113.5	A759 R760 K765 Y766 F767	A759-Y763 VanDerWaalsContact O-CB 3.26Å; A759-Y763 WeakPolarHBondContact O-CB 3.47Å; A759-Y763 PolarHBondContact O-N 2.91Å; R760-Y763 PolarHBondContact O-N 3.48Å; Y763-K765 PolarHBondContact O-N 3.11Å; Y763-K765 VanDerWaalsContact O-N 3.16Å; Y763-Y766 PolarHBondContact O-N 3.2Å; Y763-F767 PolarHBondContact O-N 3.43Å
764	R	55.3	Low	65	Low	218 Å²	218	132.1 Å²	132.1	82%	0.823	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-21.7	171.5	-90.5	-176.7	-177.2	171.1	0.4	112.9	R760 Y766	R760-R764 PolarHBondContact O-N 3.41Å; R764-Y766 PolarHBondContact O-N 3.46Å
765	K	54.1	Low	63.7	Low	190 Å²	190	133.9 Å²	133.9	83%	0.826	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-17.3	170.7	-113.3	179.6	176.8	-174.7	0	113.6	N762 Y763	N762-K765 WeakPolarHBondContact O-CB 3.34Å; Y763-K765 PolarHBondContact O-N 3.11Å; Y763-K765 VanDerWaalsContact O-N 3.16Å
766	Y	50.9	Low	62.6	Low	174 Å²	174	129 Å²	129	68%	0.682	63%	0.629	S	S	*	*	S	Bend	trans	-118.1	5.3	-171.4	-65.5	-79	0	0	0	114.3	N762 Y763 R764 R768	N762-Y766 WeakPolarHBondContact O-CD2 3.21Å; Y763-Y766 PolarHBondContact O-N 3.2Å; R764-Y766 PolarHBondContact O-N 3.46Å; Y766-R768 PolarHBondContact O-N 3.1Å
767	F	44.2	Very low	61.7	Low	150 Å²	150	131.6 Å²	131.6	66%	0.658	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	24.4	-168	-159.2	-99.9	0	0	0	116	Y763	Y763-F767 PolarHBondContact O-N 3.43Å
768	R	54.5	Low	61.1	Low	257 Å²	257	130.7 Å²	130.7	97%	0.97	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	2.7	178.6	-87	-171.7	178.8	155.1	-0.6	115.9	Y766	Y766-R768 PolarHBondContact O-N 3.1Å
769	S	55.8	Low	60.5	Low	104 Å²	104	129 Å²	129	73%	0.727	64%	0.635	S	S	*	*	S	Bend	trans	-129	-7.9	-167.6	48	0	0	0	0	119.3
770	E	56.6	Low	60.4	Low	160 Å²	160	132.6 Å²	132.6	75%	0.748	64%	0.638	S	S	*	*			trans	-139.9	27.5	-173.7	-68.9	-154	158.7	0	0	118.2	A772 T774	E770-A772 PolarHBondContact O-N 3.01Å; E770-T774 PolarHBondContact O-OG1 3.19Å
771	A	60.8	Low	60.3	Low	64 Å²	64	132.1 Å²	132.1	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-78.9	-10.9	-173.4	0	0	0	0	0	116.8
772	A	57.5	Low	60.4	Low	88 Å²	88	128 Å²	128	73%	0.727	63%	0.628	S	S	*	*	H	α-helix	trans	-76.3	-34.3	-175.8	0	0	0	0	0	113.5	E770 T774	E770-A772 PolarHBondContact O-N 3.01Å; A772-T774 VanDerWaalsContact C-N 3.34Å
773	L	58.9	Low	60.7	Low	140 Å²	140	127 Å²	127	73%	0.733	62%	0.621	S	S	*	*	H	α-helix	trans	-71.9	-28.1	178.1	-78.9	162.3	0	0	0	112.6	D777	L773-D777 PolarHBondContact O-N 3.09Å
774	T	59.6	Low	61.6	Low	94 Å²	94	121.5 Å²	121.5	58%	0.577	60%	0.604	S	S	*	*	H	α-helix	trans	-76.6	-26.4	-177.4	-11.2	0	0	0	0	113	E770 A772 F778	E770-T774 PolarHBondContact O-OG1 3.19Å; A772-T774 VanDerWaalsContact C-N 3.34Å; T774-F778 PolarHBondContact O-N 2.9Å; T774-F778 VanDerWaalsContact O-N 3.15Å
775	L	59.9	Low	62.5	Low	119 Å²	119	116.9 Å²	116.9	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-78.7	-35.3	179.8	-152.2	76.7	0	0	0	112.1	F778 I779	L775-F778 PolarHBondContact O-N 2.73Å; L775-I779 PolarHBondContact O-N 2.91Å
776	A	61.7	Low	63.5	Low	66 Å²	66	115.2 Å²	115.2	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-63.7	-40.7	170.9	0	0	0	0	0	111.7	F778 I779 Y780	A776-F778 VanDerWaalsContact C-N 3.33Å; A776-F778 PolarHBondContact O-N 3.44Å; A776-I779 PolarHBondContact O-N 3.5Å; A776-Y780 PolarHBondContact O-N 3.49Å
777	D	61.8	Low	64.7	Low	71 Å²	71	107.7 Å²	107.7	38%	0.38	56%	0.555	S	S	.	*	H	α-helix	trans	-67.3	-31.6	176.2	-167.9	44.2	0	0	0	112.6	L773 K781	L773-D777 PolarHBondContact O-N 3.09Å; D777-K781 WeakPolarHBondContact O-CB 3.35Å; D777-K781 WeakPolarHBondContact O-CG 3.48Å; D777-K781 PolarHBondContact O-N 3.39Å; D777-K781 WeakPolarHBondContact OD2-CE 2.94Å; D777-K781 IonicContact OD2-NZ 2.69Å; D777-K781 PolarHBondContact OD2-NZ 3.22Å
778	F	70.9	Confident	66.2	Low	133 Å²	133	104.6 Å²	104.6	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-45.5	175.1	-178.2	-99.5	0	0	0	112.7	T774 L775 A776 Y780 K781 S782	T774-F778 PolarHBondContact O-N 2.9Å; T774-F778 VanDerWaalsContact O-N 3.15Å; L775-F778 PolarHBondContact O-N 2.73Å; A776-F778 VanDerWaalsContact C-N 3.33Å; A776-F778 PolarHBondContact O-N 3.44Å; F778-Y780 VanDerWaalsContact C-N 3.33Å; F778-Y780 PolarHBondContact O-N 3.43Å; F778-K781 PolarHBondContact O-N 2.86Å; F778-S782 PolarHBondContact O-N 3.14Å; F778-S782 PolarHBondContact O-OG 2.86Å
779	I	70.1	Confident	67.3	Low	101 Å²	101	96.9 Å²	96.9	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-41.1	178.2	-65.1	173.2	0	0	0	110.5	L775 A776 S782 M783	L775-I779 PolarHBondContact O-N 2.91Å; A776-I779 PolarHBondContact O-N 3.5Å; I779-S782 PolarHBondContact O-N 2.94Å; I779-M783 HydrophobicContact CG2-CE 4.3Å; I779-M783 PolarHBondContact O-N 3.27Å
780	Y	71.8	Confident	68.2	Low	128 Å²	128	93.5 Å²	93.5	50%	0.502	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-45.9	173.6	-172.5	-103.1	0	0	0	112	A776 F778 S782 M783 V784	A776-Y780 PolarHBondContact O-N 3.49Å; F778-Y780 VanDerWaalsContact C-N 3.33Å; F778-Y780 PolarHBondContact O-N 3.43Å; Y780-S782 PolarHBondContact O-N 3.22Å; Y780-M783 HydrophobicContact CD2-CE 4.42Å; Y780-M783 PolarHBondContact O-N 2.84Å; Y780-V784 HydrophobicContact CD1-CG2 4.41Å; Y780-V784 HydrophobicContact CE1-CG2 4.11Å; Y780-V784 WeakPolarHBondContact O-CG2 3.36Å; Y780-V784 PolarHBondContact O-N 3.48Å; Y780-V784 VanDerWaalsContact O-N 3.15Å
781	K	69.8	Low	69	Low	121 Å²	121	87.1 Å²	87.1	53%	0.526	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-39	176.8	-81.6	170.4	176.6	157.5	0	113.5	D777 F778 V784 Q785	D777-K781 WeakPolarHBondContact O-CB 3.35Å; D777-K781 WeakPolarHBondContact O-CG 3.48Å; D777-K781 PolarHBondContact O-N 3.39Å; D777-K781 WeakPolarHBondContact OD2-CE 2.94Å; D777-K781 IonicContact OD2-NZ 2.69Å; D777-K781 PolarHBondContact OD2-NZ 3.22Å; F778-K781 PolarHBondContact O-N 2.86Å; K781-V784 PolarHBondContact O-N 2.83Å; K781-Q785 WeakPolarHBondContact O-CB 3.35Å; K781-Q785 PolarHBondContact O-N 3.45Å
782	S	71.4	Confident	69.5	Low	50 Å²	50	91.2 Å²	91.2	35%	0.35	48%	0.481	S	S	.	.	H	α-helix	trans	-68	-36.7	177.6	-72.3	0	0	0	0	113.1	F778 I779 Y780 Q785 K786	F778-S782 PolarHBondContact O-N 3.14Å; F778-S782 PolarHBondContact O-OG 2.86Å; I779-S782 PolarHBondContact O-N 2.94Å; Y780-S782 PolarHBondContact O-N 3.22Å; S782-Q785 PolarHBondContact O-N 2.94Å; S782-K786 PolarHBondContact O-N 3.48Å; S782-K786 VanDerWaalsContact O-N 3.14Å
783	M	74	Confident	70.3	Confident	80 Å²	80	93 Å²	93	39%	0.394	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-42.8	174.2	-70.7	-172.6	-66.2	0	0	112	I779 Y780 Q785 K786 F787	I779-M783 HydrophobicContact CG2-CE 4.3Å; I779-M783 PolarHBondContact O-N 3.27Å; Y780-M783 HydrophobicContact CD2-CE 4.42Å; Y780-M783 PolarHBondContact O-N 2.84Å; M783-Q785 PolarHBondContact O-N 2.74Å; M783-K786 PolarHBondContact O-N 3.2Å; M783-F787 PolarHBondContact O-N 3.3Å
784	V	74.1	Confident	70.7	Confident	44 Å²	44	92 Å²	92	27%	0.267	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.3	173.3	0	0	0	0	111.4	Y780 K781 K786 F787 L788	Y780-V784 HydrophobicContact CD1-CG2 4.41Å; Y780-V784 HydrophobicContact CE1-CG2 4.11Å; Y780-V784 WeakPolarHBondContact O-CG2 3.36Å; Y780-V784 PolarHBondContact O-N 3.48Å; Y780-V784 VanDerWaalsContact O-N 3.15Å; K781-V784 PolarHBondContact O-N 2.83Å; V784-K786 PolarHBondContact O-N 3.06Å; V784-F787 PolarHBondContact O-N 2.69Å; V784-L788 HydrophobicContact CG1-CD1 3.95Å; V784-L788 WeakPolarHBondContact O-CG 3.47Å; V784-L788 PolarHBondContact O-N 2.53Å; V784-L788 VanDerWaalsContact O-N 3.11Å
785	Q	73.9	Confident	71.2	Confident	121 Å²	121	91 Å²	91	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-64.7	-40.5	-179	-166.4	178.3	23.3	0	0	112.4	K781 S782 M783 L789	K781-Q785 WeakPolarHBondContact O-CB 3.35Å; K781-Q785 PolarHBondContact O-N 3.45Å; S782-Q785 PolarHBondContact O-N 2.94Å; M783-Q785 PolarHBondContact O-N 2.74Å; Q785-L789 HydrophobicContact CG-CD1 3.95Å; Q785-L789 WeakPolarHBondContact O-CB 3.49Å; Q785-L789 WeakPolarHBondContact O-CG 3.24Å; Q785-L789 PolarHBondContact O-N 3.33Å; Q785-L789 VanDerWaalsContact O-N 3.1Å
786	K	75	Confident	71.6	Confident	155 Å²	155	86.5 Å²	86.5	67%	0.674	44%	0.442	S	S	*	.	H	α-helix	trans	-68.2	-38.3	178.4	-164.3	172.6	-177.4	178.6	0	112.2	S782 M783 V784 G790	S782-K786 PolarHBondContact O-N 3.48Å; S782-K786 VanDerWaalsContact O-N 3.14Å; M783-K786 PolarHBondContact O-N 3.2Å; V784-K786 PolarHBondContact O-N 3.06Å; K786-G790 PolarHBondContact O-N 3.25Å; K786-G790 VanDerWaalsContact O-N 3.09Å
787	F	77.4	Confident	71.9	Confident	15 Å²	15	86.6 Å²	86.6	7%	0.066	44%	0.439	C	S	.	.	H	α-helix	trans	-62	-49.3	174.1	170.2	-114.9	0	0	0	112.3	M783 V784 G790 L791 P809 L813 N817 L820	M783-F787 PolarHBondContact O-N 3.3Å; V784-F787 PolarHBondContact O-N 2.69Å; F787-G790 PolarHBondContact O-N 3.31Å; F787-L791 WeakPolarHBondContact O-CB 3.34Å; F787-L791 PolarHBondContact O-N 2.89Å; F787-P809 HydrophobicContact CD2-CG 4.28Å; F787-L813 HydrophobicContact CB-CD1 3.87Å; F787-L813 HydrophobicContact CD1-CD1 4Å; F787-L813 HydrophobicContact CD2-CD1 4.48Å; F787-L813 HydrophobicContact CG-CD1 3.87Å; F787-N817 HydrophobicContact CE2-CB 4.42Å; F787-N817 HydrophobicContact CZ-CB 3.94Å; F787-L820 HydrophobicContact CE1-CD1 3.79Å; F787-L820 HydrophobicContact CZ-CD1 4.18Å
788	L	73.8	Confident	72.1	Confident	85 Å²	85	87.6 Å²	87.6	45%	0.445	45%	0.448	S	S	.	.	H	α-helix	trans	-68.8	-38.7	-177.6	-68.6	173.7	0	0	0	113.5	V784 K792 L820	V784-L788 HydrophobicContact CG1-CD1 3.95Å; V784-L788 WeakPolarHBondContact O-CG 3.47Å; V784-L788 PolarHBondContact O-N 2.53Å; V784-L788 VanDerWaalsContact O-N 3.11Å; L788-K792 PolarHBondContact O-N 3.47Å; L788-L820 HydrophobicContact CD2-CD1 3.89Å
789	L	78.8	Confident	71.9	Confident	96 Å²	96	85.8 Å²	85.8	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-70.6	-35.1	177	-70.5	172.1	0	0	0	112.2	Q785	Q785-L789 HydrophobicContact CG-CD1 3.95Å; Q785-L789 WeakPolarHBondContact O-CB 3.49Å; Q785-L789 WeakPolarHBondContact O-CG 3.24Å; Q785-L789 PolarHBondContact O-N 3.33Å; Q785-L789 VanDerWaalsContact O-N 3.1Å
790	G	74.6	Confident	71.8	Confident	33 Å²	33	83.2 Å²	83.2	34%	0.34	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-42.4	173.6	0	0	0	0	0	112.8	K786 F787 K792 N793	K786-G790 PolarHBondContact O-N 3.25Å; K786-G790 VanDerWaalsContact O-N 3.09Å; F787-G790 PolarHBondContact O-N 3.31Å; G790-K792 VanDerWaalsContact C-N 3.35Å; G790-K792 PolarHBondContact O-N 3.2Å; G790-N793 PolarHBondContact O-N 3.08Å
791	L	73.5	Confident	71.4	Confident	26 Å²	26	84.5 Å²	84.5	14%	0.136	45%	0.446	C	S	.	.	H	α-helix	trans	-60.7	-42.8	176.8	-163.9	79.1	0	0	0	111.5	F787 N793 N794 L795 W805 L820	F787-L791 WeakPolarHBondContact O-CB 3.34Å; F787-L791 PolarHBondContact O-N 2.89Å; L791-N793 VanDerWaalsContact C-N 3.26Å; L791-N793 PolarHBondContact O-N 2.94Å; L791-N794 PolarHBondContact O-N 2.85Å; L791-L795 WeakPolarHBondContact O-CG 3.23Å; L791-W805 HydrophobicContact CD1-CH2 4.39Å; L791-W805 HydrophobicContact CD1-CZ2 3.92Å; L791-W805 HydrophobicContact CD2-CH2 4.11Å; L791-W805 HydrophobicContact CD2-CZ2 3.97Å; L791-W805 HydrophobicContact CG-CH2 4.46Å; L791-W805 HydrophobicContact CG-CZ2 4.36Å; L791-L820 HydrophobicContact CD2-CB 4.34Å; L791-L820 HydrophobicContact CD2-CD1 4.07Å
792	K	71.5	Confident	71.2	Confident	149 Å²	149	81.1 Å²	81.1	65%	0.648	43%	0.434	S	S	*	.	H	α-helix	trans	-54.6	-38.3	177.5	178.1	-174.7	173.1	-172.6	0	113.4	L788 G790	L788-K792 PolarHBondContact O-N 3.47Å; G790-K792 VanDerWaalsContact C-N 3.35Å; G790-K792 PolarHBondContact O-N 3.2Å
793	N	73.5	Confident	70.9	Confident	127 Å²	127	87.1 Å²	87.1	68%	0.679	45%	0.453	S	S	*	.	H	α-helix	trans	-81.8	-17.6	-174.4	-66.4	-17.2	0	0	0	113.1	G790 L791	G790-N793 PolarHBondContact O-N 3.08Å; L791-N793 VanDerWaalsContact C-N 3.26Å; L791-N793 PolarHBondContact O-N 2.94Å
794	N	67.5	Low	70.7	Confident	117 Å²	117	87.4 Å²	87.4	63%	0.626	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	32.3	-173.8	-66.8	-39.4	0	0	0	112.9	L791	L791-N794 PolarHBondContact O-N 2.85Å
795	L	71.2	Confident	70.9	Confident	73 Å²	73	87.7 Å²	87.7	38%	0.382	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-73.8	138.8	178.8	-76.4	168.2	0	0	0	111.9	L791 W805 F824	L791-L795 WeakPolarHBondContact O-CG 3.23Å; L795-W805 HydrophobicContact CD2-CH2 3.94Å; L795-W805 HydrophobicContact CD2-CZ3 3.8Å; L795-F824 HydrophobicContact CB-CE2 4.43Å; L795-F824 HydrophobicContact CB-CZ 4.18Å; L795-F824 HydrophobicContact CD1-CD2 4.46Å; L795-F824 HydrophobicContact CD1-CE2 3.92Å; L795-F824 HydrophobicContact CD1-CZ 4.5Å; L795-F824 HydrophobicContact CD2-CD1 4.45Å; L795-F824 HydrophobicContact CD2-CD2 3.92Å; L795-F824 HydrophobicContact CD2-CE1 4.32Å; L795-F824 HydrophobicContact CD2-CE2 3.8Å; L795-F824 HydrophobicContact CD2-CG 4.24Å; L795-F824 HydrophobicContact CD2-CZ 4Å; L795-F824 HydrophobicContact CG-CE2 4.26Å; L795-F824 HydrophobicContact CG-CZ 4.44Å
796	P	68.3	Low	71	Confident	25 Å²	25	84 Å²	84	16%	0.162	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-62.2	166.8	175.8	-17	26.3	0	0	0	114.5	T804 W805	P796-T804 WeakPolarHBondContact CG-O 3.36Å; P796-W805 HydrophobicContact CG-CE3 4.19Å
797	S	67.1	Low	70.8	Confident	68 Å²	68	81.1 Å²	81.1	48%	0.476	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-56.2	150.7	178.5	174.4	0	0	0	0	113.4	N799 K828	S797-N799 PolarHBondContact O-N 2.94Å; S797-N799 PolarHBondContact OG-N 3.42Å; S797-K828 VanDerWaalsContact O-CE 3.27Å; S797-K828 WeakPolarHBondContact O-CE 3.22Å; S797-K828 PolarHBondContact O-NZ 2.88Å
798	T	65.5	Low	70.5	Confident	93 Å²	93	82.3 Å²	82.3	57%	0.571	46%	0.461	S	S	*	.	S	Bend	trans	-74.8	-0.6	178.8	50.8	0	0	0	0	114.2	K828	T798-K828 VanDerWaalsContact C-CE 3.42Å; T798-K828 WeakPolarHBondContact O-CE 3.48Å
799	N	67.4	Low	70.2	Confident	94 Å²	94	82.5 Å²	82.5	50%	0.503	47%	0.467	S	S	.	.			trans	-71.7	122.4	175.2	-174.5	-16	0	0	0	112.4	S797 L801 D802 K828	S797-N799 PolarHBondContact O-N 2.94Å; S797-N799 PolarHBondContact OG-N 3.42Å; N799-L801 PolarHBondContact O-N 3.11Å; N799-L801 VanDerWaalsContact O-N 3.11Å; N799-L801 PolarHBondContact OD1-N 3.01Å; N799-D802 WeakPolarHBondContact O-CB 3.31Å; N799-D802 PolarHBondContact O-N 2.9Å; N799-D802 VanDerWaalsContact O-N 3.11Å; N799-K828 WeakPolarHBondContact O-CE 3.43Å; N799-K828 PolarHBondContact O-NZ 2.97Å
800	I	67.2	Low	70	Confident	48 Å²	48	83.1 Å²	83.1	25%	0.246	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.3	-171.3	-63.3	147	0	0	0	114.5	F832	I800-F832 HydrophobicContact CD1-CB 3.49Å; I800-F832 VanDerWaalsContact CD1-CB 3.49Å; I800-F832 HydrophobicContact CD1-CD1 3.41Å; I800-F832 VanDerWaalsContact CD1-CD1 3.41Å; I800-F832 HydrophobicContact CD1-CD2 3.25Å; I800-F832 HydrophobicContact CD1-CE1 3.81Å; I800-F832 HydrophobicContact CD1-CE2 3.66Å; I800-F832 HydrophobicContact CD1-CG 3.09Å; I800-F832 HydrophobicContact CD1-CZ 3.91Å; I800-F832 HydrophobicContact CG1-CB 4.21Å; I800-F832 HydrophobicContact CG1-CG 4.27Å
801	L	64.8	Low	69.9	Low	154 Å²	154	91.1 Å²	91.1	81%	0.806	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.4	-178	-62.9	173.5	0	0	0	113.4	N799	N799-L801 PolarHBondContact O-N 3.11Å; N799-L801 VanDerWaalsContact O-N 3.11Å; N799-L801 PolarHBondContact OD1-N 3.01Å
802	D	64.8	Low	69.8	Low	51 Å²	51	94.4 Å²	94.4	27%	0.273	51%	0.513	S	S	.	.			trans	-82.5	120.1	177.1	-175.4	2.7	0	0	0	111.2	N799 T804 K828	N799-D802 WeakPolarHBondContact O-CB 3.31Å; N799-D802 PolarHBondContact O-N 2.9Å; N799-D802 VanDerWaalsContact O-N 3.11Å; D802-T804 WeakPolarHBondContact OD1-CB 3.13Å; D802-T804 WeakPolarHBondContact OD1-CG2 3.44Å; D802-T804 PolarHBondContact OD1-N 3.34Å; D802-T804 VanDerWaalsContact OD1-N 3.14Å; D802-T804 PolarHBondContact OD1-OG1 3.3Å; D802-T804 PolarHBondContact OD2-OG1 3.3Å; D802-K828 PolarHBondContact O-NZ 3.09Å
803	K	64.2	Low	70	Confident	175 Å²	175	88 Å²	88	76%	0.761	49%	0.486	S	S	*	.			trans	-107.9	9.5	-175.7	-66.8	-171.1	178.8	-177.8	0	114.2
804	T	71.2	Confident	70	Confident	86 Å²	86	84.7 Å²	84.7	53%	0.528	47%	0.472	S	S	.	.			trans	-66.7	140.5	-179.7	52.8	0	0	0	0	111.4	P796 D802	P796-T804 WeakPolarHBondContact CG-O 3.36Å; D802-T804 WeakPolarHBondContact OD1-CB 3.13Å; D802-T804 WeakPolarHBondContact OD1-CG2 3.44Å; D802-T804 PolarHBondContact OD1-N 3.34Å; D802-T804 VanDerWaalsContact OD1-N 3.14Å; D802-T804 PolarHBondContact OD1-OG1 3.3Å; D802-T804 PolarHBondContact OD2-OG1 3.3Å
805	W	78.8	Confident	70.5	Confident	50 Å²	50	83.5 Å²	83.5	19%	0.189	47%	0.469	C	S	.	.			trans	-148.2	138.6	175.3	-172.2	-104.3	0	0	0	111.7	L791 L795 P796 L820 Q821 F824	L791-W805 HydrophobicContact CD1-CH2 4.39Å; L791-W805 HydrophobicContact CD1-CZ2 3.92Å; L791-W805 HydrophobicContact CD2-CH2 4.11Å; L791-W805 HydrophobicContact CD2-CZ2 3.97Å; L791-W805 HydrophobicContact CG-CH2 4.46Å; L791-W805 HydrophobicContact CG-CZ2 4.36Å; L795-W805 HydrophobicContact CD2-CH2 3.94Å; L795-W805 HydrophobicContact CD2-CZ3 3.8Å; P796-W805 HydrophobicContact CG-CE3 4.19Å; W805-L820 HydrophobicContact CZ2-CB 4.34Å; W805-Q821 HydrophobicContact CB-CG 4.12Å; W805-Q821 HydrophobicContact CD2-CB 3.91Å; W805-Q821 HydrophobicContact CD2-CG 3.69Å; W805-Q821 HydrophobicContact CE3-CG 4.29Å; W805-Q821 HydrophobicContact CG-CB 4.09Å; W805-Q821 HydrophobicContact CG-CG 3.59Å; W805-Q821 HydrophobicContact CZ2-CB 4.03Å; W805-F824 HydrophobicContact CE3-CD1 4.19Å; W805-F824 HydrophobicContact CH2-CB 3.83Å; W805-F824 HydrophobicContact CH2-CD1 4.34Å; W805-F824 HydrophobicContact CH2-CG 4.16Å; W805-F824 HydrophobicContact CZ3-CB 3.76Å; W805-F824 AromaticContact CZ3-CD1 3.45Å; W805-F824 HydrophobicContact CZ3-CD1 3.45Å; W805-F824 VanDerWaalsContact CZ3-CD1 3.45Å; W805-F824 HydrophobicContact CZ3-CE1 4.18Å; W805-F824 AromaticContact CZ3-CG 3.72Å; W805-F824 HydrophobicContact CZ3-CG 3.72Å
806	P	75.8	Confident	70.6	Confident	45 Å²	45	81.9 Å²	81.9	29%	0.292	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-69.7	144.8	-179.7	-17.2	30.9	0	0	0	114.1	N817	P806-N817 PolarHBondContact O-ND2 3.05Å
807	A	69.6	Low	71.3	Confident	94 Å²	94	81.2 Å²	81.2	78%	0.777	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-73.3	150.9	176.4	0	0	0	0	0	112.7
808	A	71.9	Confident	71.7	Confident	40 Å²	40	84.1 Å²	84.1	33%	0.331	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-76.3	130.2	-178.7	0	0	0	0	0	111.9	N817	A808-N817 HydrophobicContact CB-CB 3.83Å
809	P	67.8	Low	72.4	Confident	88 Å²	88	85.3 Å²	85.3	57%	0.571	47%	0.466	S	S	*	.	S	Bend	trans	-80.3	-17.5	-178.4	27.3	-31.7	0	0	0	115.2	F787	F787-P809 HydrophobicContact CD2-CG 4.28Å
810	Y	74.4	Confident	73.1	Confident	110 Å²	110	83.1 Å²	83.1	43%	0.431	46%	0.455	S	S	.	.	S	Bend	trans	-132.8	136.3	-179.4	-57.2	-72.7	0	0	0	112	C812 L813	Y810-C812 PolarHBondContact O-N 2.97Å; Y810-L813 HydrophobicContact CD2-CD1 4.45Å; Y810-L813 PolarHBondContact O-N 3.11Å
811	K	72.8	Confident	73.7	Confident	200 Å²	200	84.7 Å²	84.7	87%	0.87	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-59.6	-38.2	-175.8	-88.2	-176.7	175.6	178.8	0	114.1	L813 S814	K811-L813 PolarHBondContact O-N 3.01Å; K811-S814 WeakPolarHBondContact O-CB 3.49Å; K811-S814 PolarHBondContact O-N 3.37Å; K811-S814 PolarHBondContact O-OG 3.08Å
812	C	71.7	Confident	74.3	Confident	96 Å²	96	83.2 Å²	83.2	65%	0.649	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13.1	-178.8	57.4	0	0	0	0	114.4	Y810	Y810-C812 PolarHBondContact O-N 2.97Å
813	L	74.1	Confident	75	Confident	15 Å²	15	85.3 Å²	85.3	8%	0.079	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-109.3	10.2	179.8	-64	173.7	0	0	0	112.8	F787 Y810 K811 T815 A816 N817	F787-L813 HydrophobicContact CB-CD1 3.87Å; F787-L813 HydrophobicContact CD1-CD1 4Å; F787-L813 HydrophobicContact CD2-CD1 4.48Å; F787-L813 HydrophobicContact CG-CD1 3.87Å; Y810-L813 HydrophobicContact CD2-CD1 4.45Å; Y810-L813 PolarHBondContact O-N 3.11Å; K811-L813 PolarHBondContact O-N 3.01Å; L813-T815 PolarHBondContact O-N 2.97Å; L813-A816 PolarHBondContact O-N 3.3Å; L813-N817 PolarHBondContact O-N 2.94Å
814	S	74	Confident	75.8	Confident	56 Å²	56	78.6 Å²	78.6	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-60	-44.8	-179.2	51.4	0	0	0	0	112.7	K811 N817 Q818	K811-S814 WeakPolarHBondContact O-CB 3.49Å; K811-S814 PolarHBondContact O-N 3.37Å; K811-S814 PolarHBondContact O-OG 3.08Å; S814-N817 PolarHBondContact O-N 2.9Å; S814-Q818 PolarHBondContact O-N 3.31Å
815	T	77.2	Confident	76.1	Confident	93 Å²	93	80 Å²	80	57%	0.571	43%	0.428	S	S	*	.	H	α-helix	trans	-61.4	-44.3	175.5	-42.9	0	0	0	0	111.7	L813 N817 Q818 E819	L813-T815 PolarHBondContact O-N 2.97Å; T815-N817 PolarHBondContact O-N 3.12Å; T815-Q818 PolarHBondContact O-N 3.12Å; T815-E819 WeakPolarHBondContact O-CG 3.41Å; T815-E819 PolarHBondContact O-N 2.66Å; T815-E819 VanDerWaalsContact O-N 3.11Å
816	A	74.4	Confident	76	Confident	38 Å²	38	83.1 Å²	83.1	31%	0.314	45%	0.445	S	S	.	.	H	α-helix	trans	-67	-34.3	178.5	0	0	0	0	0	112.6	L813 Q818 E819 L820	L813-A816 PolarHBondContact O-N 3.3Å; A816-Q818 VanDerWaalsContact C-N 3.34Å; A816-E819 PolarHBondContact O-N 3.23Å; A816-L820 WeakPolarHBondContact O-CB 3.28Å; A816-L820 VanDerWaalsContact O-CG 3.25Å; A816-L820 WeakPolarHBondContact O-CG 3.4Å; A816-L820 PolarHBondContact O-N 3.41Å
817	N	82.3	Confident	76.3	Confident	12 Å²	12	86.9 Å²	86.9	6%	0.064	45%	0.453	C	S	.	.	H	α-helix	trans	-67.6	-33.8	176.5	-164.7	54	0	0	0	112.4	F787 P806 A808 L813 S814 T815 Q821	F787-N817 HydrophobicContact CE2-CB 4.42Å; F787-N817 HydrophobicContact CZ-CB 3.94Å; P806-N817 PolarHBondContact O-ND2 3.05Å; A808-N817 HydrophobicContact CB-CB 3.83Å; L813-N817 PolarHBondContact O-N 2.94Å; S814-N817 PolarHBondContact O-N 2.9Å; T815-N817 PolarHBondContact O-N 3.12Å; N817-Q821 WeakPolarHBondContact O-CB 3.45Å; N817-Q821 PolarHBondContact O-N 3.06Å; N817-Q821 VanDerWaalsContact O-N 3.14Å
818	Q	76.6	Confident	76.7	Confident	128 Å²	128	83 Å²	83	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-70.8	-42.5	174.2	-74.3	178.4	-18	0	0	112.1	S814 T815 A816 Q821 Q822	S814-Q818 PolarHBondContact O-N 3.31Å; T815-Q818 PolarHBondContact O-N 3.12Å; A816-Q818 VanDerWaalsContact C-N 3.34Å; Q818-Q821 WeakPolarHBondContact O-CB 3.21Å; Q818-Q821 PolarHBondContact O-N 3.31Å; Q818-Q822 PolarHBondContact O-N 3.04Å
819	E	80.4	Confident	76.7	Confident	118 Å²	118	82.3 Å²	82.3	55%	0.551	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-43.9	174.9	-72.4	-96.7	159.4	0	0	111.9	T815 A816 Q821 Q822 L823	T815-E819 WeakPolarHBondContact O-CG 3.41Å; T815-E819 PolarHBondContact O-N 2.66Å; T815-E819 VanDerWaalsContact O-N 3.11Å; A816-E819 PolarHBondContact O-N 3.23Å; E819-Q821 VanDerWaalsContact C-N 3.35Å; E819-Q821 PolarHBondContact O-N 3.28Å; E819-Q822 PolarHBondContact O-N 3.49Å; E819-L823 PolarHBondContact O-N 3.19Å
820	L	81.4	Confident	77.1	Confident	49 Å²	49	83.5 Å²	83.5	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-33.3	178.5	-72.6	169.4	0	0	0	112.8	F787 L788 L791 W805 A816 L823 F824	F787-L820 HydrophobicContact CE1-CD1 3.79Å; F787-L820 HydrophobicContact CZ-CD1 4.18Å; L788-L820 HydrophobicContact CD2-CD1 3.89Å; L791-L820 HydrophobicContact CD2-CB 4.34Å; L791-L820 HydrophobicContact CD2-CD1 4.07Å; W805-L820 HydrophobicContact CZ2-CB 4.34Å; A816-L820 WeakPolarHBondContact O-CB 3.28Å; A816-L820 VanDerWaalsContact O-CG 3.25Å; A816-L820 WeakPolarHBondContact O-CG 3.4Å; A816-L820 PolarHBondContact O-N 3.41Å; L820-L823 HydrophobicContact CD2-CD1 4.5Å; L820-L823 PolarHBondContact O-N 3.41Å; L820-F824 WeakPolarHBondContact O-CB 3.25Å; L820-F824 PolarHBondContact O-N 3.44Å
821	Q	80.1	Confident	77.3	Confident	81 Å²	81	83.9 Å²	83.9	38%	0.379	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-45.1	171.5	-173.7	178.9	14.9	0	0	111.1	W805 N817 Q818 E819 Y825	W805-Q821 HydrophobicContact CB-CG 4.12Å; W805-Q821 HydrophobicContact CD2-CB 3.91Å; W805-Q821 HydrophobicContact CD2-CG 3.69Å; W805-Q821 HydrophobicContact CE3-CG 4.29Å; W805-Q821 HydrophobicContact CG-CB 4.09Å; W805-Q821 HydrophobicContact CG-CG 3.59Å; W805-Q821 HydrophobicContact CZ2-CB 4.03Å; N817-Q821 WeakPolarHBondContact O-CB 3.45Å; N817-Q821 PolarHBondContact O-N 3.06Å; N817-Q821 VanDerWaalsContact O-N 3.14Å; Q818-Q821 WeakPolarHBondContact O-CB 3.21Å; Q818-Q821 PolarHBondContact O-N 3.31Å; E819-Q821 VanDerWaalsContact C-N 3.35Å; E819-Q821 PolarHBondContact O-N 3.28Å; Q821-Y825 WeakPolarHBondContact O-CB 3.44Å; Q821-Y825 PolarHBondContact O-N 2.82Å; Q821-Y825 VanDerWaalsContact O-N 3.1Å
822	Q	77.2	Confident	77.3	Confident	122 Å²	122	79 Å²	79	57%	0.57	39%	0.387	S	S	*	.	H	α-helix	trans	-64.5	-44.7	176.8	-72	-171.8	1.2	0	0	111.8	Q818 E819 Y825 Q826	Q818-Q822 PolarHBondContact O-N 3.04Å; E819-Q822 PolarHBondContact O-N 3.49Å; Q822-Y825 PolarHBondContact O-N 2.82Å; Q822-Q826 VanDerWaalsContact O-CG 3.3Å; Q822-Q826 WeakPolarHBondContact O-CG 3.39Å; Q822-Q826 PolarHBondContact O-N 3.47Å
823	L	80.1	Confident	77.3	Confident	96 Å²	96	81.5 Å²	81.5	50%	0.503	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-42	178.1	-78.7	164	0	0	0	112.8	E819 L820 Q826 W827	E819-L823 PolarHBondContact O-N 3.19Å; L820-L823 HydrophobicContact CD2-CD1 4.5Å; L820-L823 PolarHBondContact O-N 3.41Å; L823-Q826 PolarHBondContact O-N 2.96Å; L823-W827 WeakPolarHBondContact O-CB 3Å; L823-W827 PolarHBondContact O-N 2.98Å
824	F	81	Confident	77.4	Confident	34 Å²	34	86.5 Å²	86.5	15%	0.149	41%	0.409	C	S	.	.	H	α-helix	trans	-66.1	-41	178	-177.5	-106.2	0	0	0	111.8	L795 W805 L820 W827 K828	L795-F824 HydrophobicContact CB-CE2 4.43Å; L795-F824 HydrophobicContact CB-CZ 4.18Å; L795-F824 HydrophobicContact CD1-CD2 4.46Å; L795-F824 HydrophobicContact CD1-CE2 3.92Å; L795-F824 HydrophobicContact CD1-CZ 4.5Å; L795-F824 HydrophobicContact CD2-CD1 4.45Å; L795-F824 HydrophobicContact CD2-CD2 3.92Å; L795-F824 HydrophobicContact CD2-CE1 4.32Å; L795-F824 HydrophobicContact CD2-CE2 3.8Å; L795-F824 HydrophobicContact CD2-CG 4.24Å; L795-F824 HydrophobicContact CD2-CZ 4Å; L795-F824 HydrophobicContact CG-CE2 4.26Å; L795-F824 HydrophobicContact CG-CZ 4.44Å; W805-F824 HydrophobicContact CE3-CD1 4.19Å; W805-F824 HydrophobicContact CH2-CB 3.83Å; W805-F824 HydrophobicContact CH2-CD1 4.34Å; W805-F824 HydrophobicContact CH2-CG 4.16Å; W805-F824 HydrophobicContact CZ3-CB 3.76Å; W805-F824 AromaticContact CZ3-CD1 3.45Å; W805-F824 HydrophobicContact CZ3-CD1 3.45Å; W805-F824 VanDerWaalsContact CZ3-CD1 3.45Å; W805-F824 HydrophobicContact CZ3-CE1 4.18Å; W805-F824 AromaticContact CZ3-CG 3.72Å; W805-F824 HydrophobicContact CZ3-CG 3.72Å; L820-F824 WeakPolarHBondContact O-CB 3.25Å; L820-F824 PolarHBondContact O-N 3.44Å; F824-W827 HydrophobicContact CD2-CE3 4.19Å; F824-W827 HydrophobicContact CE2-CE3 4.05Å; F824-W827 AromaticContact CE2-CZ3 3.94Å; F824-W827 HydrophobicContact CE2-CZ3 3.94Å; F824-W827 PolarHBondContact O-N 3.24Å; F824-K828 HydrophobicContact CE1-CD 4.48Å; F824-K828 VanDerWaalsContact O-CB 3.29Å; F824-K828 WeakPolarHBondContact O-CB 3.44Å; F824-K828 PolarHBondContact O-N 3.15Å
825	Y	75.9	Confident	77.5	Confident	114 Å²	114	90.2 Å²	90.2	45%	0.447	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-45	174.6	-172	-105.2	0	0	0	111.6	Q821 Q822 W827 K828 C829	Q821-Y825 WeakPolarHBondContact O-CB 3.44Å; Q821-Y825 PolarHBondContact O-N 2.82Å; Q821-Y825 VanDerWaalsContact O-N 3.1Å; Q822-Y825 PolarHBondContact O-N 2.82Å; Y825-W827 PolarHBondContact O-N 3.43Å; Y825-K828 PolarHBondContact O-N 3.31Å; Y825-C829 PolarHBondContact O-N 3.42Å; Y825-C829 PolarHBondContact O-SG 3.19Å; Y825-C829 VanDerWaalsContact O-SG 3.33Å
826	Q	77.6	Confident	77.5	Confident	116 Å²	116	87.9 Å²	87.9	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-63.2	-40.8	176.5	-72.1	176.6	9.1	0	0	113	Q822 L823 C829 K830	Q822-Q826 VanDerWaalsContact O-CG 3.3Å; Q822-Q826 WeakPolarHBondContact O-CG 3.39Å; Q822-Q826 PolarHBondContact O-N 3.47Å; L823-Q826 PolarHBondContact O-N 2.96Å; Q826-C829 PolarHBondContact O-N 3.41Å; Q826-K830 PolarHBondContact O-N 3.11Å
827	W	81	Confident	77.7	Confident	124 Å²	124	88.4 Å²	88.4	47%	0.47	41%	0.406	S	S	.	.	H	α-helix	trans	-65.7	-43	176	174.1	85.6	0	0	0	112.4	L823 F824 Y825 C829 K830 R831	L823-W827 WeakPolarHBondContact O-CB 3Å; L823-W827 PolarHBondContact O-N 2.98Å; F824-W827 HydrophobicContact CD2-CE3 4.19Å; F824-W827 HydrophobicContact CE2-CE3 4.05Å; F824-W827 AromaticContact CE2-CZ3 3.94Å; F824-W827 HydrophobicContact CE2-CZ3 3.94Å; F824-W827 PolarHBondContact O-N 3.24Å; Y825-W827 PolarHBondContact O-N 3.43Å; W827-C829 VanDerWaalsContact C-N 3.34Å; W827-C829 PolarHBondContact O-N 3.03Å; W827-K830 WeakPolarHBondContact O-CB 3.35Å; W827-K830 PolarHBondContact O-N 3.14Å; W827-K830 VanDerWaalsContact O-N 3.14Å; W827-R831 PolarHBondContact O-N 2.94Å
828	K	79.4	Confident	77.5	Confident	13 Å²	13	93.4 Å²	93.4	6%	0.057	44%	0.439	C	S	.	.	H	α-helix	trans	-59.9	-43.8	176.1	-177.3	177	175.1	178.5	0	111.3	S797 T798 N799 D802 F824 Y825 R831 F832	S797-K828 VanDerWaalsContact O-CE 3.27Å; S797-K828 WeakPolarHBondContact O-CE 3.22Å; S797-K828 PolarHBondContact O-NZ 2.88Å; T798-K828 VanDerWaalsContact C-CE 3.42Å; T798-K828 WeakPolarHBondContact O-CE 3.48Å; N799-K828 WeakPolarHBondContact O-CE 3.43Å; N799-K828 PolarHBondContact O-NZ 2.97Å; D802-K828 PolarHBondContact O-NZ 3.09Å; F824-K828 HydrophobicContact CE1-CD 4.48Å; F824-K828 VanDerWaalsContact O-CB 3.29Å; F824-K828 WeakPolarHBondContact O-CB 3.44Å; F824-K828 PolarHBondContact O-N 3.15Å; Y825-K828 PolarHBondContact O-N 3.31Å; K828-R831 PolarHBondContact O-N 3.27Å; K828-F832 PolarHBondContact O-N 3.5Å
829	C	71.1	Confident	77.4	Confident	25 Å²	25	95.1 Å²	95.1	17%	0.169	45%	0.445	C	S	.	.	H	α-helix	trans	-64.1	-39.5	172.8	-68.8	0	0	0	0	112.7	Y825 Q826 W827 R833	Y825-C829 PolarHBondContact O-N 3.42Å; Y825-C829 PolarHBondContact O-SG 3.19Å; Y825-C829 VanDerWaalsContact O-SG 3.33Å; Q826-C829 PolarHBondContact O-N 3.41Å; W827-C829 VanDerWaalsContact C-N 3.34Å; W827-C829 PolarHBondContact O-N 3.03Å; C829-R833 WeakPolarHBondContact O-CG 3.39Å; C829-R833 PolarHBondContact O-N 3.44Å; C829-R833 VanDerWaalsContact O-N 3.16Å
830	K	76.3	Confident	77.1	Confident	113 Å²	113	94.1 Å²	94.1	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-46.5	176.3	-175.1	-179.8	177	-180	0	111.9	Q826 W827 F832 R833 D834	Q826-K830 PolarHBondContact O-N 3.11Å; W827-K830 WeakPolarHBondContact O-CB 3.35Å; W827-K830 PolarHBondContact O-N 3.14Å; W827-K830 VanDerWaalsContact O-N 3.14Å; K830-F832 VanDerWaalsContact C-N 3.29Å; K830-F832 PolarHBondContact O-N 2.82Å; K830-R833 PolarHBondContact O-N 3.42Å; K830-R833 VanDerWaalsContact O-N 3.09Å; K830-D834 PolarHBondContact O-N 3.39Å
831	R	78.3	Confident	77	Confident	118 Å²	118	94 Å²	94	45%	0.445	44%	0.441	S	S	.	.	H	α-helix	trans	-61.1	-35.8	-179.8	-174.8	176.8	170.6	174.7	-2.1	112.9	W827 K828 Q835	W827-R831 PolarHBondContact O-N 2.94Å; K828-R831 PolarHBondContact O-N 3.27Å; R831-Q835 WeakPolarHBondContact O-CG 3.27Å
832	F	73.3	Confident	76.9	Confident	97 Å²	97	93.4 Å²	93.4	43%	0.425	44%	0.438	S	S	.	.	H	α-helix	trans	-68.8	-42.8	172.6	177.1	-109.2	0	0	0	112.5	I800 K828 K830 D834 Q835 L836	I800-F832 HydrophobicContact CD1-CB 3.49Å; I800-F832 VanDerWaalsContact CD1-CB 3.49Å; I800-F832 HydrophobicContact CD1-CD1 3.41Å; I800-F832 VanDerWaalsContact CD1-CD1 3.41Å; I800-F832 HydrophobicContact CD1-CD2 3.25Å; I800-F832 HydrophobicContact CD1-CE1 3.81Å; I800-F832 HydrophobicContact CD1-CE2 3.66Å; I800-F832 HydrophobicContact CD1-CG 3.09Å; I800-F832 HydrophobicContact CD1-CZ 3.91Å; I800-F832 HydrophobicContact CG1-CB 4.21Å; I800-F832 HydrophobicContact CG1-CG 4.27Å; K828-F832 PolarHBondContact O-N 3.5Å; K830-F832 VanDerWaalsContact C-N 3.29Å; K830-F832 PolarHBondContact O-N 2.82Å; F832-D834 VanDerWaalsContact C-N 3.32Å; F832-D834 PolarHBondContact O-N 2.85Å; F832-Q835 PolarHBondContact O-N 3.02Å; F832-L836 HydrophobicContact CE1-CD1 4.27Å; F832-L836 HydrophobicContact CZ-CD2 4.32Å
833	R	71.1	Confident	77	Confident	149 Å²	149	90 Å²	90	56%	0.562	42%	0.423	S	S	*	.	H	α-helix	trans	-61.4	-39.6	177.4	-71.3	-173.9	-54.9	-116.7	3	112.6	C829 K830 Q835 L836	C829-R833 WeakPolarHBondContact O-CG 3.39Å; C829-R833 PolarHBondContact O-N 3.44Å; C829-R833 VanDerWaalsContact O-N 3.16Å; K830-R833 PolarHBondContact O-N 3.42Å; K830-R833 VanDerWaalsContact O-N 3.09Å; R833-Q835 PolarHBondContact O-N 3.34Å; R833-L836 PolarHBondContact O-N 3.36Å
834	D	76.9	Confident	77	Confident	120 Å²	120	89.6 Å²	89.6	64%	0.642	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14	-179	-65.6	-15	0	0	0	113.1	K830 F832	K830-D834 PolarHBondContact O-N 3.39Å; F832-D834 VanDerWaalsContact C-N 3.32Å; F832-D834 PolarHBondContact O-N 2.85Å
835	Q	75.1	Confident	77.1	Confident	135 Å²	135	94.8 Å²	94.8	63%	0.631	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.3	-179.9	-70.4	176.9	1.3	0	0	114.1	R831 F832 R833	R831-Q835 WeakPolarHBondContact O-CG 3.27Å; F832-Q835 PolarHBondContact O-N 3.02Å; R833-Q835 PolarHBondContact O-N 3.34Å
836	L	78.3	Confident	77.5	Confident	44 Å²	44	90.9 Å²	90.9	23%	0.23	43%	0.426	C	S	.	.			trans	-80.3	133.2	-177.8	-65.3	168.8	0	0	0	110.9	F832 R833 Q840 V841 L844	F832-L836 HydrophobicContact CE1-CD1 4.27Å; F832-L836 HydrophobicContact CZ-CD2 4.32Å; R833-L836 PolarHBondContact O-N 3.36Å; L836-Q840 HydrophobicContact CD2-CB 4.37Å; L836-V841 HydrophobicContact CB-CG2 3.78Å; L836-L844 HydrophobicContact CD1-CD1 3.62Å; L836-L844 HydrophobicContact CD2-CD1 4.17Å
837	S	78.6	Confident	77.8	Confident	49 Å²	49	86.9 Å²	86.9	34%	0.343	41%	0.406	S	S	.	.			trans	-68.7	154.8	171.9	65.3	0	0	0	0	111.5	K839 Q840 V841	S837-K839 PolarHBondContact O-N 3.47Å; S837-K839 VanDerWaalsContact O-N 3.11Å; S837-Q840 PolarHBondContact O-N 3.5Å; S837-Q840 VanDerWaalsContact OG-CD 3.28Å; S837-Q840 VanDerWaalsContact OG-CG 3.3Å; S837-Q840 WeakPolarHBondContact OG-CG 3.32Å; S837-Q840 PolarHBondContact OG-N 2.89Å; S837-Q840 PolarHBondContact OG-OE1 2.85Å; S837-V841 WeakPolarHBondContact O-CG2 3.35Å; S837-V841 PolarHBondContact O-N 3.48Å
838	P	77.8	Confident	78.1	Confident	117 Å²	117	85.9 Å²	85.9	76%	0.76	41%	0.41	S	S	*	.	H	α-helix	trans	-53.2	-35.8	177.8	-27.6	34.7	0	0	0	113.8	V841 E842	P838-V841 PolarHBondContact O-N 3.43Å; P838-E842 PolarHBondContact O-N 2.89Å
839	K	74.9	Confident	78.4	Confident	164 Å²	164	85.9 Å²	85.9	71%	0.713	41%	0.411	S	S	*	.	H	α-helix	trans	-68	-39	176.5	-172.7	175.6	179.6	-178.9	0	112.6	S837 E842 I843	S837-K839 PolarHBondContact O-N 3.47Å; S837-K839 VanDerWaalsContact O-N 3.11Å; K839-E842 PolarHBondContact O-N 3.2Å; K839-I843 WeakPolarHBondContact O-CG1 3.39Å; K839-I843 PolarHBondContact O-N 2.93Å
840	Q	74.6	Confident	79	Confident	97 Å²	97	84.7 Å²	84.7	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-71	-35.4	176.2	-72.9	165.7	-45.5	0	0	112	L836 S837 E842 I843 L844	L836-Q840 HydrophobicContact CD2-CB 4.37Å; S837-Q840 PolarHBondContact O-N 3.5Å; S837-Q840 VanDerWaalsContact OG-CD 3.28Å; S837-Q840 VanDerWaalsContact OG-CG 3.3Å; S837-Q840 WeakPolarHBondContact OG-CG 3.32Å; S837-Q840 PolarHBondContact OG-N 2.89Å; S837-Q840 PolarHBondContact OG-OE1 2.85Å; Q840-E842 VanDerWaalsContact C-N 3.31Å; Q840-E842 PolarHBondContact O-N 2.74Å; Q840-I843 PolarHBondContact O-N 3.41Å; Q840-L844 WeakPolarHBondContact O-CB 3.27Å; Q840-L844 VanDerWaalsContact O-CG 3.28Å; Q840-L844 WeakPolarHBondContact O-CG 3.44Å; Q840-L844 PolarHBondContact O-N 3.34Å
841	V	78.7	Confident	79.6	Confident	46 Å²	46	80.6 Å²	80.6	28%	0.279	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-42.6	173.8	173.7	0	0	0	0	110.8	L836 S837 P838 L844 R845	L836-V841 HydrophobicContact CB-CG2 3.78Å; S837-V841 WeakPolarHBondContact O-CG2 3.35Å; S837-V841 PolarHBondContact O-N 3.48Å; P838-V841 PolarHBondContact O-N 3.43Å; V841-L844 PolarHBondContact O-N 3.39Å; V841-R845 WeakPolarHBondContact O-CG 3.45Å; V841-R845 PolarHBondContact O-N 3.36Å
842	E	78.4	Confident	80	Confident	68 Å²	68	81 Å²	81	32%	0.318	40%	0.396	S	S	.	.	H	α-helix	trans	-69	-40.1	-179.5	-162.7	55	-145	0	0	112.7	P838 K839 Q840 L844 R845 E846 R985	P838-E842 PolarHBondContact O-N 2.89Å; K839-E842 PolarHBondContact O-N 3.2Å; Q840-E842 VanDerWaalsContact C-N 3.31Å; Q840-E842 PolarHBondContact O-N 2.74Å; E842-L844 VanDerWaalsContact C-N 3.31Å; E842-L844 PolarHBondContact O-N 3.32Å; E842-R845 WeakPolarHBondContact O-CB 3.46Å; E842-R845 PolarHBondContact O-N 2.8Å; E842-R845 IonicContact OE2-NH1 3.61Å; E842-R845 PolarHBondContact OE2-NH1 2.86Å; E842-E846 PolarHBondContact O-N 2.89Å; E842-R985 IonicContact OE1-CZ 2.73Å; E842-R985 IonicContact OE1-NH1 3.43Å; E842-R985 PolarHBondContact OE1-NH1 2.95Å; E842-R985 IonicContact OE1-NH2 3.51Å; E842-R985 PolarHBondContact OE1-NH2 3.31Å
843	I	78.9	Confident	80.5	Confident	50 Å²	50	77.4 Å²	77.4	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-40.1	173.1	-65.8	167.3	0	0	0	110.9	K839 Q840 R845 E846 K847	K839-I843 WeakPolarHBondContact O-CG1 3.39Å; K839-I843 PolarHBondContact O-N 2.93Å; Q840-I843 PolarHBondContact O-N 3.41Å; I843-R845 VanDerWaalsContact C-N 3.34Å; I843-E846 PolarHBondContact O-N 3.36Å; I843-K847 WeakPolarHBondContact O-CG 3.43Å; I843-K847 PolarHBondContact O-N 3.45Å
844	L	80.4	Confident	81.3	Confident	88 Å²	88	70.3 Å²	70.3	46%	0.461	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-33.3	177.1	-73.2	168.8	0	0	0	112.4	L836 Q840 V841 E842 K847 L848	L836-L844 HydrophobicContact CD1-CD1 3.62Å; L836-L844 HydrophobicContact CD2-CD1 4.17Å; Q840-L844 WeakPolarHBondContact O-CB 3.27Å; Q840-L844 VanDerWaalsContact O-CG 3.28Å; Q840-L844 WeakPolarHBondContact O-CG 3.44Å; Q840-L844 PolarHBondContact O-N 3.34Å; V841-L844 PolarHBondContact O-N 3.39Å; E842-L844 VanDerWaalsContact C-N 3.31Å; E842-L844 PolarHBondContact O-N 3.32Å; L844-K847 PolarHBondContact O-N 2.97Å; L844-L848 WeakPolarHBondContact O-CB 3.34Å; L844-L848 PolarHBondContact O-N 3.26Å
845	R	83.2	Confident	81.8	Confident	143 Å²	143	71.2 Å²	71.2	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-41.5	171.2	-73.6	172.8	174.6	-176.6	-5	111.9	V841 E842 I843 K847 L848 C849	V841-R845 WeakPolarHBondContact O-CG 3.45Å; V841-R845 PolarHBondContact O-N 3.36Å; E842-R845 WeakPolarHBondContact O-CB 3.46Å; E842-R845 PolarHBondContact O-N 2.8Å; E842-R845 IonicContact OE2-NH1 3.61Å; E842-R845 PolarHBondContact OE2-NH1 2.86Å; I843-R845 VanDerWaalsContact C-N 3.34Å; R845-K847 VanDerWaalsContact C-N 3.34Å; R845-K847 PolarHBondContact O-N 3.44Å; R845-L848 PolarHBondContact O-N 3.35Å; R845-C849 PolarHBondContact O-N 3.44Å
846	E	83.2	Confident	82.1	Confident	32 Å²	32	68.8 Å²	68.8	15%	0.15	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-43.9	172.1	-69.2	-176.7	167.2	0	0	111.4	E842 I843 L848 C849 A850 F869 T981 K982	E842-E846 PolarHBondContact O-N 2.89Å; I843-E846 PolarHBondContact O-N 3.36Å; E846-L848 VanDerWaalsContact C-N 3.35Å; E846-L848 PolarHBondContact O-N 3.01Å; E846-C849 WeakPolarHBondContact O-CB 3.45Å; E846-C849 PolarHBondContact O-N 3.43Å; E846-A850 PolarHBondContact O-N 3.26Å; E846-F869 HydrophobicContact CB-CD2 3.79Å; E846-F869 HydrophobicContact CB-CE2 4.14Å; E846-T981 WeakPolarHBondContact O-CG2 3.35Å; E846-K982 IonicContact OE1-NZ 3.67Å; E846-K982 IonicContact OE2-NZ 2.88Å
847	K	84.5	Confident	82.4	Confident	32 Å²	32	72.4 Å²	72.4	14%	0.139	38%	0.378	C	S	.	.	H	α-helix	trans	-65.7	-35.1	177.1	-71	-69.9	-174.6	-176.8	0	113.2	I843 L844 R845 A850 S851 S864 I867 F869	I843-K847 WeakPolarHBondContact O-CG 3.43Å; I843-K847 PolarHBondContact O-N 3.45Å; L844-K847 PolarHBondContact O-N 2.97Å; R845-K847 VanDerWaalsContact C-N 3.34Å; R845-K847 PolarHBondContact O-N 3.44Å; K847-A850 PolarHBondContact O-N 2.98Å; K847-S851 PolarHBondContact O-N 3.24Å; K847-S864 PolarHBondContact NZ-O 2.86Å; K847-I867 VanDerWaalsContact CE-O 3.28Å; K847-I867 WeakPolarHBondContact CE-O 3.34Å; K847-I867 PolarHBondContact NZ-O 3.42Å; K847-F869 HydrophobicContact CD-CD1 4.39Å; K847-F869 HydrophobicContact CD-CD2 4.2Å; K847-F869 HydrophobicContact CD-CE1 4.1Å; K847-F869 HydrophobicContact CD-CE2 3.86Å; K847-F869 HydrophobicContact CD-CG 4.45Å; K847-F869 HydrophobicContact CD-CZ 3.8Å; K847-F869 HydrophobicContact CG-CE2 4.43Å
848	L	86.4	Confident	82.7	Confident	103 Å²	103	70.3 Å²	70.3	54%	0.539	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-47.7	173.9	-178.5	63.9	0	0	0	110.7	L844 R845 E846 A850 S851 E852	L844-L848 WeakPolarHBondContact O-CB 3.34Å; L844-L848 PolarHBondContact O-N 3.26Å; R845-L848 PolarHBondContact O-N 3.35Å; E846-L848 VanDerWaalsContact C-N 3.35Å; E846-L848 PolarHBondContact O-N 3.01Å; L848-A850 VanDerWaalsContact C-N 3.32Å; L848-A850 PolarHBondContact O-N 2.88Å; L848-S851 WeakPolarHBondContact O-CA 3.42Å; L848-S851 VanDerWaalsContact O-CB 3.25Å; L848-S851 WeakPolarHBondContact O-CB 3.45Å; L848-S851 PolarHBondContact O-N 2.98Å; L848-E852 PolarHBondContact O-N 3.15Å
849	C	85.8	Confident	83	Confident	14 Å²	14	67 Å²	67	10%	0.095	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-42.8	175.1	-173.6	0	0	0	0	111.7	R845 E846 S851 E852 L853 T981 Y984 R985	R845-C849 PolarHBondContact O-N 3.44Å; E846-C849 WeakPolarHBondContact O-CB 3.45Å; E846-C849 PolarHBondContact O-N 3.43Å; C849-S851 VanDerWaalsContact C-N 3.27Å; C849-S851 PolarHBondContact O-N 3.14Å; C849-E852 PolarHBondContact O-N 2.83Å; C849-L853 WeakPolarHBondContact O-CG 3.44Å; C849-L853 PolarHBondContact O-N 3.36Å; C849-T981 HydrophobicContact CB-CG2 3.88Å; C849-Y984 VanDerWaalsContact SG-CD1 3.55Å; C849-R985 HydrophobicContact CB-CG 4.38Å
850	A	85.3	Confident	83.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-37.1	175.2	0	0	0	0	0	112.2	E846 K847 L848 L853 F854 Y861 F869 I977 T981	E846-A850 PolarHBondContact O-N 3.26Å; K847-A850 PolarHBondContact O-N 2.98Å; L848-A850 VanDerWaalsContact C-N 3.32Å; L848-A850 PolarHBondContact O-N 2.88Å; A850-L853 PolarHBondContact O-N 3.13Å; A850-F854 WeakPolarHBondContact O-CD2 3.39Å; A850-F854 PolarHBondContact O-N 2.91Å; A850-Y861 HydrophobicContact CB-CE2 4.11Å; A850-Y861 WeakPolarHBondContact O-CE2 3.31Å; A850-F869 HydrophobicContact CB-CE2 4.16Å; A850-F869 HydrophobicContact CB-CZ 3.96Å; A850-I977 HydrophobicContact CB-CG2 4.19Å; A850-T981 WeakPolarHBondContact CA-OG1 3.43Å; A850-T981 HydrophobicContact CB-CG2 3.93Å; A850-T981 VanDerWaalsContact CB-OG1 3.27Å; A850-T981 WeakPolarHBondContact CB-OG1 3.27Å
851	S	87	Confident	83.9	Confident	26 Å²	26	56.2 Å²	56.2	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-44.7	176.3	-173.9	0	0	0	0	112.2	K847 L848 C849 L853 K855 Y861	K847-S851 PolarHBondContact O-N 3.24Å; L848-S851 WeakPolarHBondContact O-CA 3.42Å; L848-S851 VanDerWaalsContact O-CB 3.25Å; L848-S851 WeakPolarHBondContact O-CB 3.45Å; L848-S851 PolarHBondContact O-N 2.98Å; C849-S851 VanDerWaalsContact C-N 3.27Å; C849-S851 PolarHBondContact O-N 3.14Å; S851-L853 VanDerWaalsContact C-N 3.27Å; S851-L853 PolarHBondContact O-N 3.29Å; S851-K855 WeakPolarHBondContact O-CB 3.47Å; S851-K855 PolarHBondContact O-N 2.62Å; S851-K855 VanDerWaalsContact OG-CD 3.3Å; S851-K855 WeakPolarHBondContact OG-CD 3.42Å; S851-Y861 WeakPolarHBondContact CA-OH 3.3Å; S851-Y861 WeakPolarHBondContact CB-OH 3.16Å; S851-Y861 PolarHBondContact OG-OH 3.31Å
852	E	87.2	Confident	84.2	Confident	127 Å²	127	58 Å²	58	59%	0.593	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-35.7	-179.8	-69.2	171.1	170.9	0	0	111.7	L848 C849	L848-E852 PolarHBondContact O-N 3.15Å; C849-E852 PolarHBondContact O-N 2.83Å
853	L	84.6	Confident	84.4	Confident	21 Å²	21	60.1 Å²	60.1	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-78.5	-43.6	-179.4	-64.6	174	0	0	0	113.3	C849 A850 S851 K857 Y984 V997	C849-L853 WeakPolarHBondContact O-CG 3.44Å; C849-L853 PolarHBondContact O-N 3.36Å; A850-L853 PolarHBondContact O-N 3.13Å; S851-L853 VanDerWaalsContact C-N 3.27Å; S851-L853 PolarHBondContact O-N 3.29Å; L853-K857 WeakPolarHBondContact O-CD 3.19Å; L853-Y984 HydrophobicContact CD1-CD1 3.96Å; L853-Y984 HydrophobicContact CD1-CD2 4.2Å; L853-Y984 HydrophobicContact CD1-CG 3.72Å; L853-Y984 HydrophobicContact CD2-CD2 3.92Å; L853-Y984 HydrophobicContact CD2-CE2 3.95Å; L853-Y984 HydrophobicContact CD2-CG 4.24Å; L853-V997 HydrophobicContact CD2-CB 4.26Å; L853-V997 HydrophobicContact CD2-CG2 4.2Å
854	F	87.8	Confident	84.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-120.2	-15.4	-165	-56.8	-65	0	0	0	116	A850 G856 K857 K858 Y861 V945 I977 L980 V997	A850-F854 WeakPolarHBondContact O-CD2 3.39Å; A850-F854 PolarHBondContact O-N 2.91Å; F854-G856 PolarHBondContact O-N 3.5Å; F854-K857 PolarHBondContact O-N 2.63Å; F854-K858 HydrophobicContact CB-CB 4.31Å; F854-K858 HydrophobicContact CD1-CB 4.33Å; F854-K858 HydrophobicContact CD1-CD 4.38Å; F854-K858 PolarHBondContact O-N 2.84Å; F854-Y861 HydrophobicContact CB-CD2 3.72Å; F854-Y861 HydrophobicContact CB-CG 4.02Å; F854-V945 HydrophobicContact CD1-CG1 4.48Å; F854-V945 HydrophobicContact CE1-CG1 3.97Å; F854-I977 HydrophobicContact CB-CD1 4.09Å; F854-I977 HydrophobicContact CD1-CD1 4.29Å; F854-I977 HydrophobicContact CD2-CD1 4.06Å; F854-I977 HydrophobicContact CD2-CG2 3.96Å; F854-I977 HydrophobicContact CE2-CG2 4.49Å; F854-I977 HydrophobicContact CG-CD1 3.86Å; F854-L980 HydrophobicContact CE1-CD1 4.13Å; F854-L980 HydrophobicContact CE2-CB 4.14Å; F854-L980 HydrophobicContact CZ-CB 3.55Å; F854-L980 HydrophobicContact CZ-CD1 3.92Å; F854-L980 HydrophobicContact CZ-CG 4.39Å; F854-V997 HydrophobicContact CE1-CG1 3.82Å; F854-V997 HydrophobicContact CZ-CG1 4.09Å
855	K	86.3	Confident	84.5	Confident	139 Å²	139	58.1 Å²	58.1	60%	0.604	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	124.5	-176.7	-174.6	177.9	175.5	-176.2	0	111	S851 K857 Y861	S851-K855 WeakPolarHBondContact O-CB 3.47Å; S851-K855 PolarHBondContact O-N 2.62Å; S851-K855 VanDerWaalsContact OG-CD 3.3Å; S851-K855 WeakPolarHBondContact OG-CD 3.42Å; K855-K857 PolarHBondContact O-N 3.03Å; K855-K857 VanDerWaalsContact O-N 3.16Å; K855-Y861 HydrophobicContact CB-CD1 4.01Å; K855-Y861 HydrophobicContact CB-CE1 3.65Å; K855-Y861 HydrophobicContact CD-CE1 4.44Å; K855-Y861 HydrophobicContact CG-CD1 4.31Å; K855-Y861 HydrophobicContact CG-CE1 3.87Å
856	G	81.6	Confident	84.4	Confident	85 Å²	85	56.3 Å²	56.3	88%	0.876	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-5.3	-177.6	0	0	0	0	0	114.7	F854	F854-G856 PolarHBondContact O-N 3.5Å
857	K	84.4	Confident	84.2	Confident	120 Å²	120	59.7 Å²	59.7	52%	0.522	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-35.3	179.9	-61.4	175.1	-176.7	167.6	0	112.2	L853 F854 K855 S947 V999	L853-K857 WeakPolarHBondContact O-CD 3.19Å; F854-K857 PolarHBondContact O-N 2.63Å; K855-K857 PolarHBondContact O-N 3.03Å; K855-K857 VanDerWaalsContact O-N 3.16Å; K857-S947 WeakPolarHBondContact O-CB 3.26Å; K857-V999 HydrophobicContact CB-CB 4.17Å; K857-V999 HydrophobicContact CB-CG1 4.38Å; K857-V999 HydrophobicContact CB-CG2 3.88Å; K857-V999 HydrophobicContact CD-CG2 4.5Å; K857-V999 VanDerWaalsContact O-CG1 3.27Å; K857-V999 WeakPolarHBondContact O-CG1 3.26Å
858	K	85.4	Confident	84	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.022	36%	0.361	C	S	.	.			trans	-122.6	130.5	179.5	-173	162.7	179.3	60.2	0	112.5	F854 S860 Y861 V945 T946 F948 D950 I977	F854-K858 HydrophobicContact CB-CB 4.31Å; F854-K858 HydrophobicContact CD1-CB 4.33Å; F854-K858 HydrophobicContact CD1-CD 4.38Å; F854-K858 PolarHBondContact O-N 2.84Å; K858-S860 VanDerWaalsContact C-N 3.34Å; K858-S860 VanDerWaalsContact CE-OG 3.29Å; K858-S860 WeakPolarHBondContact CE-OG 3.45Å; K858-S860 PolarHBondContact O-N 2.84Å; K858-Y861 VanDerWaalsContact O-CB 3.28Å; K858-Y861 WeakPolarHBondContact O-CB 3.34Å; K858-Y861 PolarHBondContact O-N 2.9Å; K858-V945 HydrophobicContact CD-CG1 4.34Å; K858-V945 HydrophobicContact CD-CG2 3.78Å; K858-T946 WeakPolarHBondContact CD-O 3.31Å; K858-T946 WeakPolarHBondContact CG-O 3.35Å; K858-T946 PolarHBondContact NZ-O 3.33Å; K858-T946 PolarHBondContact NZ-OG1 3.34Å; K858-T946 VanDerWaalsContact NZ-OG1 3.15Å; K858-F948 PolarHBondContact NZ-O 3.48Å; K858-D950 WeakPolarHBondContact CE-O 3.11Å; K858-D950 PolarHBondContact NZ-O 3.06Å; K858-I977 HydrophobicContact CD-CD1 3.79Å; K858-I977 HydrophobicContact CG-CD1 4.26Å
859	A	83.8	Confident	84	Confident	46 Å²	46	58.5 Å²	58.5	38%	0.38	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.7	-173.5	0	0	0	0	0	114.4	P862 S947 K949	A859-P862 WeakPolarHBondContact O-CD 3.33Å; A859-S947 VanDerWaalsContact CB-O 3.29Å; A859-S947 WeakPolarHBondContact CB-O 3.31Å; A859-S947 PolarHBondContact N-O 3.43Å; A859-K949 HydrophobicContact CB-CG 3.81Å
860	S	83.1	Confident	83.7	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.084	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12	173.4	50.1	0	0	0	0	113.7	K858 Q863	K858-S860 VanDerWaalsContact C-N 3.34Å; K858-S860 VanDerWaalsContact CE-OG 3.29Å; K858-S860 WeakPolarHBondContact CE-OG 3.45Å; K858-S860 PolarHBondContact O-N 2.84Å; S860-Q863 PolarHBondContact O-N 3.08Å
861	Y	86.7	Confident	83.4	Confident	24 Å²	24	62.5 Å²	62.5	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-55.5	-47	179.8	175.3	-101.6	0	0	0	113.7	A850 S851 F854 K855 K858 Q863 S864 V865 I977	A850-Y861 HydrophobicContact CB-CE2 4.11Å; A850-Y861 WeakPolarHBondContact O-CE2 3.31Å; S851-Y861 WeakPolarHBondContact CA-OH 3.3Å; S851-Y861 WeakPolarHBondContact CB-OH 3.16Å; S851-Y861 PolarHBondContact OG-OH 3.31Å; F854-Y861 HydrophobicContact CB-CD2 3.72Å; F854-Y861 HydrophobicContact CB-CG 4.02Å; K855-Y861 HydrophobicContact CB-CD1 4.01Å; K855-Y861 HydrophobicContact CB-CE1 3.65Å; K855-Y861 HydrophobicContact CD-CE1 4.44Å; K855-Y861 HydrophobicContact CG-CD1 4.31Å; K855-Y861 HydrophobicContact CG-CE1 3.87Å; K858-Y861 VanDerWaalsContact O-CB 3.28Å; K858-Y861 WeakPolarHBondContact O-CB 3.34Å; K858-Y861 PolarHBondContact O-N 2.9Å; Y861-Q863 PolarHBondContact O-N 3.17Å; Y861-S864 WeakPolarHBondContact O-CB 3.38Å; Y861-S864 PolarHBondContact O-N 3.5Å; Y861-S864 PolarHBondContact O-OG 3.19Å; Y861-V865 HydrophobicContact CD1-CG2 4.32Å; Y861-V865 HydrophobicContact CE1-CG2 3.8Å; Y861-V865 HydrophobicContact CE2-CG2 4.46Å; Y861-V865 PolarHBondContact O-N 3.27Å; Y861-I977 HydrophobicContact CD2-CG2 3.96Å; Y861-I977 HydrophobicContact CE2-CG2 4.49Å
862	P	83.8	Confident	83.2	Confident	83 Å²	83	63.9 Å²	63.9	54%	0.539	37%	0.372	S	S	.	.	H	α-helix	trans	-57	-34.6	-179.6	-25.5	35.8	0	0	0	114	A859 S864 V865 P866	A859-P862 WeakPolarHBondContact O-CD 3.33Å; P862-S864 VanDerWaalsContact C-N 3.28Å; P862-S864 PolarHBondContact O-N 3.14Å; P862-V865 PolarHBondContact O-N 2.98Å; P862-P866 WeakPolarHBondContact O-CD 3.21Å
863	Q	82.3	Confident	83.1	Confident	112 Å²	112	61.1 Å²	61.1	52%	0.523	36%	0.357	S	S	.	.	H	α-helix	trans	-69.8	-27.1	178.9	-66.5	175	-21.3	0	0	112.3	S860 Y861 P866	S860-Q863 PolarHBondContact O-N 3.08Å; Y861-Q863 PolarHBondContact O-N 3.17Å; Q863-P866 WeakPolarHBondContact O-CD 3.41Å
864	S	80.5	Confident	82.8	Confident	18 Å²	18	62 Å²	62	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-78.7	-19.2	177.6	78	0	0	0	0	113.6	K847 Y861 P862 I867 I977	K847-S864 PolarHBondContact NZ-O 2.86Å; Y861-S864 WeakPolarHBondContact O-CB 3.38Å; Y861-S864 PolarHBondContact O-N 3.5Å; Y861-S864 PolarHBondContact O-OG 3.19Å; P862-S864 VanDerWaalsContact C-N 3.28Å; P862-S864 PolarHBondContact O-N 3.14Å; S864-I867 PolarHBondContact O-N 2.95Å; S864-I977 WeakPolarHBondContact OG-CG2 3.3Å
865	V	82.7	Confident	82.2	Confident	78 Å²	78	63.7 Å²	63.7	47%	0.473	38%	0.379	S	S	.	.	S	Bend	trans	-61.3	-48.1	-174.7	178.4	0	0	0	0	113.2	Y861 P862 I867	Y861-V865 HydrophobicContact CD1-CG2 4.32Å; Y861-V865 HydrophobicContact CE1-CG2 3.8Å; Y861-V865 HydrophobicContact CE2-CG2 4.46Å; Y861-V865 PolarHBondContact O-N 3.27Å; P862-V865 PolarHBondContact O-N 2.98Å; V865-I867 VanDerWaalsContact C-N 3.31Å; V865-I867 PolarHBondContact O-N 3.35Å
866	P	79.9	Confident	81.4	Confident	105 Å²	105	57.5 Å²	57.5	68%	0.682	35%	0.353	S	S	*	.	S	Bend	trans	-76	-16	-178	29.6	-35.4	0	0	0	114.1	P862 Q863	P862-P866 WeakPolarHBondContact O-CD 3.21Å; Q863-P866 WeakPolarHBondContact O-CD 3.41Å
867	I	79.2	Confident	80.6	Confident	103 Å²	103	60.5 Å²	60.5	53%	0.528	34%	0.344	S	S	.	.	S	Bend	trans	-92	123.1	-173.6	-55.2	174.3	0	0	0	109.6	K847 S864 V865	K847-I867 VanDerWaalsContact CE-O 3.28Å; K847-I867 WeakPolarHBondContact CE-O 3.34Å; K847-I867 PolarHBondContact NZ-O 3.42Å; S864-I867 PolarHBondContact O-N 2.95Å; V865-I867 VanDerWaalsContact C-N 3.31Å; V865-I867 PolarHBondContact O-N 3.35Å
868	P	79.8	Confident	79.4	Confident	93 Å²	93	58 Å²	58	60%	0.604	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-62.9	142	176.1	-18.8	30.9	0	0	0	112.1
869	F	86.6	Confident	78.5	Confident	18 Å²	18	61.1 Å²	61.1	8%	0.079	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-72.6	132.3	174.5	-72.9	-16.9	0	0	0	111.1	E846 K847 A850 I977 E978	E846-F869 HydrophobicContact CB-CD2 3.79Å; E846-F869 HydrophobicContact CB-CE2 4.14Å; K847-F869 HydrophobicContact CD-CD1 4.39Å; K847-F869 HydrophobicContact CD-CD2 4.2Å; K847-F869 HydrophobicContact CD-CE1 4.1Å; K847-F869 HydrophobicContact CD-CE2 3.86Å; K847-F869 HydrophobicContact CD-CG 4.45Å; K847-F869 HydrophobicContact CD-CZ 3.8Å; K847-F869 HydrophobicContact CG-CE2 4.43Å; A850-F869 HydrophobicContact CB-CE2 4.16Å; A850-F869 HydrophobicContact CB-CZ 3.96Å; F869-I977 HydrophobicContact CZ-CG2 4.39Å; F869-E978 WeakPolarHBondContact CA-OE2 3.49Å; F869-E978 VanDerWaalsContact CB-CD 3.41Å; F869-E978 HydrophobicContact CB-CG 4.02Å; F869-E978 WeakPolarHBondContact CB-OE2 3.37Å; F869-E978 HydrophobicContact CD1-CB 3.67Å; F869-E978 HydrophobicContact CD1-CG 3.68Å; F869-E978 WeakPolarHBondContact CD1-OE2 3.2Å; F869-E978 HydrophobicContact CD2-CG 4.03Å; F869-E978 HydrophobicContact CE1-CB 3.6Å; F869-E978 HydrophobicContact CE1-CG 4.06Å; F869-E978 HydrophobicContact CE2-CG 4.4Å; F869-E978 HydrophobicContact CG-CB 4.17Å; F869-E978 HydrophobicContact CG-CG 3.67Å; F869-E978 WeakPolarHBondContact CG-OE2 3.48Å; F869-E978 HydrophobicContact CZ-CB 4.07Å; F869-E978 HydrophobicContact CZ-CG 4.42Å
870	C	79.6	Confident	77.7	Confident	90 Å²	90	63.5 Å²	63.5	61%	0.608	38%	0.381	S	S	*	.			trans	-110.3	-32.5	-164.9	-136.7	0	0	0	0	113.5	D872 Y873 E978	C870-D872 VanDerWaalsContact C-N 3.28Å; C870-D872 PolarHBondContact O-N 2.94Å; C870-Y873 HydrophobicContact CB-CE1 3.86Å; C870-Y873 HydrophobicContact CB-CE2 3.94Å; C870-Y873 VanDerWaalsContact CB-CZ 3.47Å; C870-Y873 WeakPolarHBondContact CB-OH 3.3Å; C870-Y873 PolarHBondContact N-OH 3.29Å; C870-E978 PolarHBondContact N-OE1 3.18Å; C870-E978 PolarHBondContact N-OE2 3.4Å
871	G	79.3	Confident	76.6	Confident	8 Å²	8	71 Å²	71	8%	0.082	41%	0.412	C	S	.	.	S	Bend	trans	76.3	-53.5	-178.8	0	0	0	0	0	115.6	M895 A896 E978	G871-M895 CarbonylContact O-C 3.52Å; G871-M895 WeakPolarHBondContact O-CA 3.4Å; G871-M895 WeakPolarHBondContact O-CG 3.37Å; G871-A896 PolarHBondContact O-N 3.45Å; G871-E978 PolarHBondContact N-OE1 3.24Å
872	D	83.2	Confident	75.4	Confident	54 Å²	54	71.6 Å²	71.6	29%	0.289	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-105.6	97.8	-179.5	-176.6	7.2	0	0	0	111.4	C870 I874 G875 L876 Q877	C870-D872 VanDerWaalsContact C-N 3.28Å; C870-D872 PolarHBondContact O-N 2.94Å; D872-I874 PolarHBondContact OD1-N 2.99Å; D872-G875 PolarHBondContact OD1-N 2.83Å; D872-L876 VanDerWaalsContact CG-N 3.34Å; D872-L876 WeakPolarHBondContact OD1-CB 3.3Å; D872-L876 PolarHBondContact OD1-N 2.99Å; D872-L876 WeakPolarHBondContact OD2-CB 3.46Å; D872-L876 PolarHBondContact OD2-N 2.58Å; D872-Q877 PolarHBondContact OD2-N 3Å
873	Y	84.1	Confident	74.4	Confident	70 Å²	70	71.8 Å²	71.8	28%	0.275	41%	0.41	S	S	.	.	S	Bend	trans	-95.7	-4.5	-178.3	-73.7	-80.4	0	0	0	113.9	C870 M895 A896 H975 E978	C870-Y873 HydrophobicContact CB-CE1 3.86Å; C870-Y873 HydrophobicContact CB-CE2 3.94Å; C870-Y873 VanDerWaalsContact CB-CZ 3.47Å; C870-Y873 WeakPolarHBondContact CB-OH 3.3Å; C870-Y873 PolarHBondContact N-OH 3.29Å; Y873-M895 HydrophobicContact CD2-CE 3.99Å; Y873-M895 HydrophobicContact CE2-CE 3.98Å; Y873-A896 PolarHBondContact N-O 3.37Å; Y873-H975 AromaticContact CD1-CE1 3.69Å; Y873-H975 AromaticContact CD1-NE2 3.62Å; Y873-H975 AromaticContact CE1-CD2 3.51Å; Y873-H975 AromaticContact CE1-CE1 3.91Å; Y873-H975 AromaticContact CE1-NE2 3.38Å; Y873-H975 WeakPolarHBondContact CE1-NE2 3.36Å; Y873-H975 HydrophobicContact CE2-CB 4.44Å; Y873-H975 AromaticContact CZ-CD2 3.6Å; Y873-H975 AromaticContact CZ-CG 3.98Å; Y873-H975 AromaticContact CZ-NE2 3.99Å; Y873-E978 PolarHBondContact OH-OE2 2.93Å
874	I	78.1	Confident	73.5	Confident	38 Å²	38	74.9 Å²	74.9	20%	0.195	42%	0.422	C	S	.	.	S	Bend	trans	-115.4	3.2	-178.1	65.2	175	0	0	0	113.4	D872 L876 A896 A898 I913	D872-I874 PolarHBondContact OD1-N 2.99Å; I874-L876 HydrophobicContact CD1-CD1 4.12Å; I874-L876 HydrophobicContact CG1-CB 4.35Å; I874-L876 HydrophobicContact CG1-CD1 4.39Å; I874-A896 HydrophobicContact CD1-CB 4Å; I874-A896 HydrophobicContact CG1-CB 3.87Å; I874-A898 HydrophobicContact CG2-CB 4.27Å; I874-I913 HydrophobicContact CD1-CD1 4.38Å; I874-I913 HydrophobicContact CD1-CG1 4.49Å; I874-I913 HydrophobicContact CD1-CG2 3.49Å; I874-I913 VanDerWaalsContact CD1-CG2 3.49Å
875	G	75.1	Confident	72.5	Confident	37 Å²	37	75.5 Å²	75.5	38%	0.381	42%	0.423	S	S	.	.			trans	69.4	40.4	177.5	0	0	0	0	0	112.5	D872 Q877 G878 N879	D872-G875 PolarHBondContact OD1-N 2.83Å; G875-Q877 PolarHBondContact O-N 2.82Å; G875-G878 PolarHBondContact O-N 3.2Å; G875-N879 PolarHBondContact O-N 3.24Å; G875-N879 VanDerWaalsContact O-N 3.15Å
876	L	70.4	Confident	71.3	Confident	8 Å²	8	76 Å²	76	4%	0.042	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.9	-176	-149.3	149.3	0	0	0	112	D872 I874 K886 A896 L915	D872-L876 VanDerWaalsContact CG-N 3.34Å; D872-L876 WeakPolarHBondContact OD1-CB 3.3Å; D872-L876 PolarHBondContact OD1-N 2.99Å; D872-L876 WeakPolarHBondContact OD2-CB 3.46Å; D872-L876 PolarHBondContact OD2-N 2.58Å; I874-L876 HydrophobicContact CD1-CD1 4.12Å; I874-L876 HydrophobicContact CG1-CB 4.35Å; I874-L876 HydrophobicContact CG1-CD1 4.39Å; L876-K886 HydrophobicContact CD2-CB 4.26Å; L876-K886 HydrophobicContact CD2-CD 4.25Å; L876-K886 HydrophobicContact CD2-CG 3.21Å; L876-K886 WeakPolarHBondContact O-CE 3.41Å; L876-A896 HydrophobicContact CD1-CB 3.51Å; L876-L915 HydrophobicContact CD1-CD2 3.44Å; L876-L915 VanDerWaalsContact CD1-CD2 3.44Å
877	Q	64.2	Low	70.2	Confident	149 Å²	149	72.5 Å²	72.5	70%	0.696	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-31.4	174	-63.2	-152.7	-6	0	0	114.6	D872 G875 Q883	D872-Q877 PolarHBondContact OD2-N 3Å; G875-Q877 PolarHBondContact O-N 2.82Å; Q877-Q883 PolarHBondContact O-NE2 3.15Å; Q877-Q883 VanDerWaalsContact O-NE2 3.13Å
878	G	60	Low	69.3	Low	68 Å²	68	70.9 Å²	70.9	70%	0.701	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-16.4	-171.3	0	0	0	0	0	116.1	G875	G875-G878 PolarHBondContact O-N 3.2Å
879	N	66.9	Low	68.1	Low	70 Å²	70	76.3 Å²	76.3	37%	0.374	43%	0.429	S	S	.	.			trans	-103.6	112.3	-174.3	-164.6	-28.7	0	0	0	112.9	G875 K881 L882 Q883	G875-N879 PolarHBondContact O-N 3.24Å; G875-N879 VanDerWaalsContact O-N 3.15Å; N879-K881 VanDerWaalsContact C-N 3.28Å; N879-K881 PolarHBondContact O-N 2.78Å; N879-K881 VanDerWaalsContact O-N 3.16Å; N879-K881 PolarHBondContact OD1-N 3.13Å; N879-L882 HydrophobicContact CB-CB 4.37Å; N879-L882 HydrophobicContact CB-CD1 4.16Å; N879-L882 HydrophobicContact CB-CG 4.4Å; N879-L882 PolarHBondContact O-N 3.41Å; N879-Q883 PolarHBondContact O-N 3.35Å; N879-Q883 VanDerWaalsContact O-N 3.17Å
880	P	66	Low	66.9	Low	95 Å²	95	78.8 Å²	78.8	62%	0.617	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.4	-173	-23.4	32	0	0	0	114.9	L882	P880-L882 VanDerWaalsContact C-N 3.32Å
881	K	60.4	Low	66.2	Low	171 Å²	171	75.9 Å²	75.9	74%	0.743	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.1	178.6	-70.5	-177.9	179	176.9	0	112.7	N879	N879-K881 VanDerWaalsContact C-N 3.28Å; N879-K881 PolarHBondContact O-N 2.78Å; N879-K881 VanDerWaalsContact O-N 3.16Å; N879-K881 PolarHBondContact OD1-N 3.13Å
882	L	62	Low	66	Low	35 Å²	35	79.4 Å²	79.4	18%	0.183	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-13.6	179.8	-62.1	176	0	0	0	112.5	N879 P880 K884 L885 I913	N879-L882 HydrophobicContact CB-CB 4.37Å; N879-L882 HydrophobicContact CB-CD1 4.16Å; N879-L882 HydrophobicContact CB-CG 4.4Å; N879-L882 PolarHBondContact O-N 3.41Å; P880-L882 VanDerWaalsContact C-N 3.32Å; L882-K884 PolarHBondContact O-N 3.47Å; L882-L885 HydrophobicContact CD2-CD1 4.18Å; L882-L885 WeakPolarHBondContact O-CB 3.47Å; L882-L885 PolarHBondContact O-N 3.46Å; L882-I913 HydrophobicContact CD2-CD1 4.08Å
883	Q	62.4	Low	65.8	Low	87 Å²	87	79.1 Å²	79.1	41%	0.407	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-63.4	-25.7	174.6	-76.8	-174.4	-5.1	0	0	113.5	Q877 N879 L885 K886	Q877-Q883 PolarHBondContact O-NE2 3.15Å; Q877-Q883 VanDerWaalsContact O-NE2 3.13Å; N879-Q883 PolarHBondContact O-N 3.35Å; N879-Q883 VanDerWaalsContact O-N 3.17Å; Q883-L885 PolarHBondContact O-N 3.17Å; Q883-L885 VanDerWaalsContact O-N 3.15Å; Q883-K886 HydrophobicContact CG-CD 4.47Å; Q883-K886 WeakPolarHBondContact O-CB 3.41Å; Q883-K886 PolarHBondContact O-N 3.23Å
884	K	62.4	Low	65.7	Low	178 Å²	178	78.6 Å²	78.6	77%	0.774	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-63.8	-13.5	171.5	-68.4	-171.9	177	-173.9	0	113.6	L882	L882-K884 PolarHBondContact O-N 3.47Å
885	L	59.9	Low	66.1	Low	30 Å²	30	76.8 Å²	76.8	16%	0.157	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-101.3	0.6	175.9	-60.6	169.4	0	0	0	112.6	L882 Q883 G887 L915 T924	L882-L885 HydrophobicContact CD2-CD1 4.18Å; L882-L885 WeakPolarHBondContact O-CB 3.47Å; L882-L885 PolarHBondContact O-N 3.46Å; Q883-L885 PolarHBondContact O-N 3.17Å; Q883-L885 VanDerWaalsContact O-N 3.15Å; L885-G887 PolarHBondContact O-N 2.68Å; L885-L915 HydrophobicContact CB-CD1 3.98Å; L885-T924 HydrophobicContact CD2-CG2 4.28Å
886	K	58.5	Low	66.6	Low	88 Å²	88	75.1 Å²	75.1	38%	0.383	42%	0.422	S	S	.	.	S	Bend	trans	-63.9	119.1	164.6	-77.7	-176.5	173.1	177.5	0	106.2	L876 Q883 G888	L876-K886 HydrophobicContact CD2-CB 4.26Å; L876-K886 HydrophobicContact CD2-CD 4.25Å; L876-K886 HydrophobicContact CD2-CG 3.21Å; L876-K886 WeakPolarHBondContact O-CE 3.41Å; Q883-K886 HydrophobicContact CG-CD 4.47Å; Q883-K886 WeakPolarHBondContact O-CB 3.41Å; Q883-K886 PolarHBondContact O-N 3.23Å; K886-G888 PolarHBondContact O-N 2.97Å
887	G	55.9	Low	67.5	Low	33 Å²	33	74.9 Å²	74.9	34%	0.34	42%	0.421	S	S	.	.			trans	-34.9	126.5	-170.1	0	0	0	0	0	113.9	L885	L885-G887 PolarHBondContact O-N 2.68Å
888	G	59.8	Low	68.5	Low	68 Å²	68	70.5 Å²	70.5	70%	0.701	41%	0.41	S	S	*	.	S	Bend	trans	-71	-120	161.8	0	0	0	0	0	109.2	K886 E890	K886-G888 PolarHBondContact O-N 2.97Å; G888-E890 PolarHBondContact O-N 3.47Å
889	E	54.5	Low	69.8	Low	208 Å²	208	67.3 Å²	67.3	97%	0.972	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.9	-178.9	-64.4	-176	156	0	0	114.7
890	E	62.7	Low	70.7	Confident	70 Å²	70	67 Å²	67	33%	0.327	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.5	-168.5	-61.4	173.6	173.7	0	0	115.6	G888 T917 I922	G888-E890 PolarHBondContact O-N 3.47Å; E890-T917 PolarHBondContact O-OG1 2.81Å; E890-I922 WeakPolarHBondContact OE2-CD1 3.28Å
891	G	64.6	Low	71.6	Confident	28 Å²	28	63.8 Å²	63.8	29%	0.289	35%	0.348	S	S	.	.			trans	91	-179.5	169	0	0	0	0	0	117.1
892	P	74.6	Confident	72.6	Confident	82 Å²	82	56 Å²	56	53%	0.532	32%	0.315	S	S	.	.			trans	-68.1	136.2	-173.8	27.3	-33.9	0	0	0	112.3	L894 T917 K918	P892-L894 PolarHBondContact O-N 2.86Å; P892-T917 WeakPolarHBondContact O-CA 3.34Å; P892-K918 HydrophobicContact CG-CD 4.15Å; P892-K918 HydrophobicContact CG-CG 4.35Å
893	V	79.4	Confident	73.3	Confident	48 Å²	48	57 Å²	57	29%	0.291	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118	177.9	-177.5	0	0	0	0	109.8	M895 A896 L915 L916 T917	V893-M895 VanDerWaalsContact CG1-O 3.25Å; V893-M895 WeakPolarHBondContact CG1-O 3.21Å; V893-A896 HydrophobicContact CG1-CB 4.16Å; V893-L915 HydrophobicContact CG1-CB 4.5Å; V893-L915 HydrophobicContact CG1-CD2 4.34Å; V893-L916 CarbonylContact C-O 3.27Å; V893-T917 HydrophobicContact CG2-CG2 4.24Å
894	L	81.2	Confident	73.7	Confident	59 Å²	59	56.6 Å²	56.6	31%	0.309	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-32.4	177.5	-59.3	178.9	0	0	0	112.5	P892 L916 K918 K982 A986	P892-L894 PolarHBondContact O-N 2.86Å; L894-L916 HydrophobicContact CB-CD2 4.48Å; L894-L916 HydrophobicContact CB-CG 4.4Å; L894-L916 PolarHBondContact N-O 2.93Å; L894-K918 HydrophobicContact CD1-CG 4.11Å; L894-K918 HydrophobicContact CD2-CG 4.12Å; L894-K918 HydrophobicContact CG-CG 4.29Å; L894-K982 PolarHBondContact O-NZ 2.89Å; L894-A986 HydrophobicContact CD1-CB 3.97Å
895	M	86.8	Confident	73.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.3	174.5	-171.3	167.4	178.8	0	0	111.9	G871 Y873 V893 E897 L915 L916 H975 E978 L979 K982	G871-M895 CarbonylContact O-C 3.52Å; G871-M895 WeakPolarHBondContact O-CA 3.4Å; G871-M895 WeakPolarHBondContact O-CG 3.37Å; Y873-M895 HydrophobicContact CD2-CE 3.99Å; Y873-M895 HydrophobicContact CE2-CE 3.98Å; V893-M895 VanDerWaalsContact CG1-O 3.25Å; V893-M895 WeakPolarHBondContact CG1-O 3.21Å; M895-E897 HydrophobicContact CE-CB 4.21Å; M895-E897 WeakPolarHBondContact CE-OE2 3.37Å; M895-L915 WeakPolarHBondContact O-CA 3.37Å; M895-L916 HydrophobicContact CB-CB 4.12Å; M895-L916 HydrophobicContact CB-CD2 4.43Å; M895-L916 PolarHBondContact N-O 3.29Å; M895-L916 PolarHBondContact O-N 3.49Å; M895-H975 HydrophobicContact CE-CB 4.12Å; M895-E978 HydrophobicContact CE-CB 4.39Å; M895-E978 HydrophobicContact CE-CG 4.26Å; M895-E978 HydrophobicContact SD-CG 4.18Å; M895-L979 HydrophobicContact CE-CB 3.81Å; M895-L979 HydrophobicContact CE-CD1 4.23Å; M895-L979 HydrophobicContact CG-CD1 4.45Å; M895-L979 WeakPolarHBondContact SD-CA 3.45Å; M895-L979 HydrophobicContact SD-CB 3.88Å; M895-L979 HydrophobicContact SD-CD1 3.63Å; M895-L979 HydrophobicContact SD-CG 4.38Å; M895-K982 HydrophobicContact CB-CD 4.14Å; M895-K982 HydrophobicContact SD-CD 4.18Å
896	A	86.8	Confident	73.9	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	116.4	174.4	0	0	0	0	0	110.2	G871 Y873 I874 L876 V893 L914 L915	G871-A896 PolarHBondContact O-N 3.45Å; Y873-A896 PolarHBondContact N-O 3.37Å; I874-A896 HydrophobicContact CD1-CB 4Å; I874-A896 HydrophobicContact CG1-CB 3.87Å; L876-A896 HydrophobicContact CD1-CB 3.51Å; V893-A896 HydrophobicContact CG1-CB 4.16Å; A896-L914 WeakPolarHBondContact CA-O 3.44Å; A896-L915 HydrophobicContact CB-CD2 3.57Å
897	E	88.1	Confident	74.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.019	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.9	-176.7	-166.6	-173.2	178.5	0	0	111.6	M895 L914 S973 E974 H975	M895-E897 HydrophobicContact CE-CB 4.21Å; M895-E897 WeakPolarHBondContact CE-OE2 3.37Å; E897-L914 PolarHBondContact N-O 2.96Å; E897-L914 PolarHBondContact O-N 3.3Å; E897-S973 PolarHBondContact OE1-OG 2.9Å; E897-S973 PolarHBondContact OE2-OG 2.98Å; E897-E974 PolarHBondContact OE1-N 2.99Å; E897-H975 IonicContact OE1-CE1 2.91Å; E897-H975 IonicContact OE1-CG 2.75Å; E897-H975 PolarHBondContact OE1-N 3.23Å; E897-H975 IonicContact OE1-ND1 3.86Å; E897-H975 PolarHBondContact OE1-ND1 3.22Å
898	A	85.4	Confident	75.3	Confident	57 Å²	57	56.7 Å²	56.7	47%	0.471	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.9	165.7	0	0	0	0	0	110.2	I874 R912	I874-A898 HydrophobicContact CG2-CB 4.27Å; A898-R912 CarbonylContact C-O 3.38Å; A898-R912 WeakPolarHBondContact CA-O 3.43Å
899	V	86.9	Confident	76.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.5	179.1	-59.1	0	0	0	0	111.4	S911 R912 L914 L923 L971 V972 L979	V899-S911 CarbonylContact O-C 3.53Å; V899-R912 HydrophobicContact CG2-CB 4.21Å; V899-R912 PolarHBondContact N-O 2.9Å; V899-R912 PolarHBondContact O-N 3.45Å; V899-L914 HydrophobicContact CB-CB 4.49Å; V899-L914 HydrophobicContact CG1-CB 3.88Å; V899-L914 HydrophobicContact CG1-CD1 4.21Å; V899-L914 HydrophobicContact CG2-CB 3.77Å; V899-L914 HydrophobicContact CG2-CD1 4.31Å; V899-L923 HydrophobicContact CG2-CD2 4.15Å; V899-L971 HydrophobicContact CG2-CD2 4.21Å; V899-V972 WeakPolarHBondContact CA-O 3.12Å; V899-L979 HydrophobicContact CG1-CD2 4.34Å
900	K	85.9	Confident	77.3	Confident	62 Å²	62	47.7 Å²	47.7	27%	0.27	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.8	173.7	-68.7	170.3	-175.5	165.5	0	109.3	T909 L971 V972	K900-T909 HydrophobicContact CB-CG2 4.3Å; K900-L971 CarbonylContact O-C 3.48Å; K900-L971 WeakPolarHBondContact O-CA 3.45Å; K900-V972 HydrophobicContact CB-CB 4.18Å; K900-V972 PolarHBondContact N-O 3.45Å; K900-V972 PolarHBondContact O-N 2.92Å
901	K	86.2	Confident	78.3	Confident	29 Å²	29	47.2 Å²	47.2	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.2	174.6	177.3	173.9	173.6	171.1	0	110.6	T909 S910 R912 L971	K901-T909 CarbonylContact O-C 3.59Å; K901-T909 WeakPolarHBondContact O-CA 3.28Å; K901-S910 PolarHBondContact N-O 3.34Å; K901-S910 PolarHBondContact O-N 2.96Å; K901-S910 PolarHBondContact O-OG 3.05Å; K901-R912 HydrophobicContact CB-CG 4.01Å; K901-L971 HydrophobicContact CB-CD2 3.61Å; K901-L971 HydrophobicContact CD-CD2 4.49Å; K901-L971 HydrophobicContact CG-CD2 3.93Å
902	V	80.5	Confident	79.3	Confident	8 Å²	8	48 Å²	48	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.1	175.3	-175.2	0	0	0	0	109.5	T909 L952 L970 V972	V902-T909 HydrophobicContact CG2-CG2 3.96Å; V902-L952 HydrophobicContact CG2-CD1 4.37Å; V902-L970 HydrophobicContact CB-CB 4.19Å; V902-L970 HydrophobicContact CB-CD2 4.05Å; V902-L970 HydrophobicContact CB-CG 4.24Å; V902-L970 HydrophobicContact CG1-CD2 4.23Å; V902-L970 HydrophobicContact CG2-CB 4.46Å; V902-L970 HydrophobicContact CG2-CD2 4.04Å; V902-L970 HydrophobicContact CG2-CG 4.06Å; V902-L970 PolarHBondContact N-O 3.31Å; V902-V972 HydrophobicContact CG2-CG2 4.4Å
903	N	75.9	Confident	79.8	Confident	55 Å²	55	44.7 Å²	44.7	29%	0.294	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-81	138.5	178.7	-69.7	-59.6	0	0	0	111.6	G905 N906 G907 K908 S910	N903-G905 PolarHBondContact O-N 3.31Å; N903-N906 WeakPolarHBondContact CB-OD1 3.29Å; N903-G907 WeakPolarHBondContact O-CA 3.46Å; N903-G907 PolarHBondContact O-N 3.35Å; N903-K908 WeakPolarHBondContact CB-O 3.01Å; N903-K908 PolarHBondContact N-O 3.4Å; N903-K908 PolarHBondContact ND2-O 2.85Å; N903-S910 PolarHBondContact ND2-OG 2.83Å; N903-S910 VanDerWaalsContact ND2-OG 3.12Å
904	R	70.8	Confident	80.2	Confident	79 Å²	79	42.4 Å²	42.4	30%	0.298	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-30.3	-166.9	-60.8	174.2	-174.4	176.7	-7.2	115.1	K966 G967 D968 F1007	R904-K966 VanDerWaalsContact NH1-C 3.28Å; R904-K966 VanDerWaalsContact NH1-CA 3.32Å; R904-K966 PolarHBondContact NH1-O 3.11Å; R904-K966 PolarHBondContact NH2-O 2.88Å; R904-G967 PolarHBondContact NH2-O 2.96Å; R904-D968 PolarHBondContact NH2-O 3.46Å; R904-F1007 HydrophobicContact CG-CD1 4.1Å; R904-F1007 HydrophobicContact CG-CE1 3.87Å; R904-F1007 HydrophobicContact CG-CZ 4.35Å
905	G	62.7	Low	80.5	Confident	71 Å²	71	39.8 Å²	39.8	73%	0.732	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-36	-176.3	0	0	0	0	0	113	N903	N903-G905 PolarHBondContact O-N 3.31Å
906	N	65.5	Low	80.4	Confident	98 Å²	98	39.8 Å²	39.8	52%	0.524	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-0.8	-167.5	64.2	5.5	0	0	0	114.5	N903 K908	N903-N906 WeakPolarHBondContact CB-OD1 3.29Å; N906-K908 HydrophobicContact CB-CG 4.44Å; N906-K908 PolarHBondContact O-N 3.33Å; N906-K908 PolarHBondContact OD1-N 3.44Å
907	G	66.6	Low	80.4	Confident	16 Å²	16	39.7 Å²	39.7	17%	0.165	23%	0.229	C	C	.	.			trans	65.4	5	-178.3	0	0	0	0	0	114.6	N903 C1030	N903-G907 WeakPolarHBondContact O-CA 3.46Å; N903-G907 PolarHBondContact O-N 3.35Å; G907-C1030 WeakPolarHBondContact O-CB 3.31Å
908	K	76.3	Confident	80.1	Confident	146 Å²	146	46 Å²	46	64%	0.635	26%	0.257	S	S	*	.			trans	-79.1	139.1	178.5	-66.4	-172.1	178.1	-177.6	0	110.3	N903 N906	N903-K908 WeakPolarHBondContact CB-O 3.01Å; N903-K908 PolarHBondContact N-O 3.4Å; N903-K908 PolarHBondContact ND2-O 2.85Å; N906-K908 HydrophobicContact CB-CG 4.44Å; N906-K908 PolarHBondContact O-N 3.33Å; N906-K908 PolarHBondContact OD1-N 3.44Å
909	T	76.8	Confident	79.9	Confident	65 Å²	65	44.5 Å²	44.5	40%	0.399	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	144.2	176.2	47.1	0	0	0	0	111.5	K900 K901 V902	K900-T909 HydrophobicContact CB-CG2 4.3Å; K901-T909 CarbonylContact O-C 3.59Å; K901-T909 WeakPolarHBondContact O-CA 3.28Å; V902-T909 HydrophobicContact CG2-CG2 3.96Å
910	S	79.9	Confident	79.8	Confident	21 Å²	21	47.3 Å²	47.3	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.8	172.1	53.5	0	0	0	0	109.8	K901 N903	K901-S910 PolarHBondContact N-O 3.34Å; K901-S910 PolarHBondContact O-N 2.96Å; K901-S910 PolarHBondContact O-OG 3.05Å; N903-S910 PolarHBondContact ND2-OG 2.83Å; N903-S910 VanDerWaalsContact ND2-OG 3.12Å
911	S	82.3	Confident	79.8	Confident	61 Å²	61	44.4 Å²	44.4	43%	0.427	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.2	180	-54.2	0	0	0	0	111.3	V899	V899-S911 CarbonylContact O-C 3.53Å
912	R	85.9	Confident	79.7	Confident	43 Å²	43	43.6 Å²	43.6	16%	0.162	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.1	178.2	-63.9	-64.8	175.4	-111.8	5.7	108.7	A898 V899 K901 T924 D925	A898-R912 CarbonylContact C-O 3.38Å; A898-R912 WeakPolarHBondContact CA-O 3.43Å; V899-R912 HydrophobicContact CG2-CB 4.21Å; V899-R912 PolarHBondContact N-O 2.9Å; V899-R912 PolarHBondContact O-N 3.45Å; K901-R912 HydrophobicContact CB-CG 4.01Å; R912-T924 WeakPolarHBondContact CA-O 3.47Å; R912-T924 WeakPolarHBondContact CB-O 3.29Å; R912-T924 VanDerWaalsContact CD-O 3.3Å; R912-T924 WeakPolarHBondContact CD-O 3.47Å; R912-D925 IonicContact CZ-OD1 3.9Å; R912-D925 IonicContact CZ-OD2 2.68Å; R912-D925 IonicContact NH1-OD1 3.68Å; R912-D925 PolarHBondContact NH1-OD1 3.45Å; R912-D925 IonicContact NH1-OD2 2.82Å; R912-D925 PolarHBondContact NH1-OD2 3.21Å; R912-D925 IonicContact NH2-OD2 3.83Å
913	I	86.3	Confident	79.8	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.5	168.2	-62.3	169.4	0	0	0	107.1	I874 L882 L915 L923 T924 T926	I874-I913 HydrophobicContact CD1-CD1 4.38Å; I874-I913 HydrophobicContact CD1-CG1 4.49Å; I874-I913 HydrophobicContact CD1-CG2 3.49Å; I874-I913 VanDerWaalsContact CD1-CG2 3.49Å; L882-I913 HydrophobicContact CD2-CD1 4.08Å; I913-L915 HydrophobicContact CG2-CD2 3.86Å; I913-L915 HydrophobicContact CG2-CG 4.13Å; I913-L923 WeakPolarHBondContact O-CA 3.43Å; I913-T924 PolarHBondContact N-O 3.12Å; I913-T924 PolarHBondContact O-N 2.76Å; I913-T926 HydrophobicContact CD1-CG2 4.37Å; I913-T926 HydrophobicContact CG1-CG2 3.97Å
914	L	87.6	Confident	80	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.9	173.4	-173.3	156.8	0	0	0	108.7	A896 E897 V899 L916 V921 I922 L923 L971 L979	A896-L914 WeakPolarHBondContact CA-O 3.44Å; E897-L914 PolarHBondContact N-O 2.96Å; E897-L914 PolarHBondContact O-N 3.3Å; V899-L914 HydrophobicContact CB-CB 4.49Å; V899-L914 HydrophobicContact CG1-CB 3.88Å; V899-L914 HydrophobicContact CG1-CD1 4.21Å; V899-L914 HydrophobicContact CG2-CB 3.77Å; V899-L914 HydrophobicContact CG2-CD1 4.31Å; L914-L916 HydrophobicContact CD2-CB 4.4Å; L914-V921 HydrophobicContact CD1-CG1 4.33Å; L914-V921 HydrophobicContact CD2-CG1 4.46Å; L914-V921 HydrophobicContact CG-CG1 4.25Å; L914-I922 WeakPolarHBondContact CA-O 3.4Å; L914-L923 HydrophobicContact CB-CD2 3.8Å; L914-L923 HydrophobicContact CD1-CD2 3.92Å; L914-L923 HydrophobicContact CG-CD2 3.88Å; L914-L971 HydrophobicContact CD1-CD1 4.14Å; L914-L979 HydrophobicContact CD1-CD1 4.48Å; L914-L979 HydrophobicContact CD1-CD2 4.16Å; L914-L979 HydrophobicContact CD2-CD1 3.65Å
915	L	87.1	Confident	80.3	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.4	173.3	-54.3	174	0	0	0	108.4	L876 L885 V893 M895 A896 I913 I922	L876-L915 HydrophobicContact CD1-CD2 3.44Å; L876-L915 VanDerWaalsContact CD1-CD2 3.44Å; L885-L915 HydrophobicContact CB-CD1 3.98Å; V893-L915 HydrophobicContact CG1-CB 4.5Å; V893-L915 HydrophobicContact CG1-CD2 4.34Å; M895-L915 WeakPolarHBondContact O-CA 3.37Å; A896-L915 HydrophobicContact CB-CD2 3.57Å; I913-L915 HydrophobicContact CG2-CD2 3.86Å; I913-L915 HydrophobicContact CG2-CG 4.13Å; L915-I922 HydrophobicContact CB-CB 4.27Å; L915-I922 PolarHBondContact N-O 3.26Å; L915-I922 PolarHBondContact O-N 3.49Å
916	L	85.9	Confident	80.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121	172.9	177.6	66.1	0	0	0	108.4	V893 L894 M895 L914 V921 L937 K982 I983 A986	V893-L916 CarbonylContact C-O 3.27Å; L894-L916 HydrophobicContact CB-CD2 4.48Å; L894-L916 HydrophobicContact CB-CG 4.4Å; L894-L916 PolarHBondContact N-O 2.93Å; M895-L916 HydrophobicContact CB-CB 4.12Å; M895-L916 HydrophobicContact CB-CD2 4.43Å; M895-L916 PolarHBondContact N-O 3.29Å; M895-L916 PolarHBondContact O-N 3.49Å; L914-L916 HydrophobicContact CD2-CB 4.4Å; L916-V921 HydrophobicContact CD1-CG2 3.84Å; L916-L937 HydrophobicContact CD1-CD2 4.07Å; L916-K982 HydrophobicContact CD2-CB 3.71Å; L916-I983 HydrophobicContact CD1-CG1 3.99Å; L916-I983 HydrophobicContact CD2-CG1 3.87Å; L916-A986 HydrophobicContact CD1-CB 4.35Å; L916-A986 HydrophobicContact CD2-CB 4.48Å
917	T	86	Confident	80.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-178.8	170.7	72.8	0	0	0	0	110.4	E890 P892 V893 G919 H920 I922	E890-T917 PolarHBondContact O-OG1 2.81Å; P892-T917 WeakPolarHBondContact O-CA 3.34Å; V893-T917 HydrophobicContact CG2-CG2 4.24Å; T917-G919 PolarHBondContact O-N 2.91Å; T917-G919 PolarHBondContact OG1-N 3.3Å; T917-H920 PolarHBondContact N-O 3.37Å; T917-H920 PolarHBondContact OG1-N 3.41Å; T917-H920 PolarHBondContact OG1-O 2.99Å; T917-I922 HydrophobicContact CG2-CD1 4.23Å
918	K	82.6	Confident	80	Confident	136 Å²	136	50.3 Å²	50.3	59%	0.591	25%	0.251	S	S	*	.	S	Bend	trans	-62.7	-19.1	174.1	-74	-172.6	174.1	-171.5	0	114.2	P892 L894 L937 A990	P892-K918 HydrophobicContact CG-CD 4.15Å; P892-K918 HydrophobicContact CG-CG 4.35Å; L894-K918 HydrophobicContact CD1-CG 4.11Å; L894-K918 HydrophobicContact CD2-CG 4.12Å; L894-K918 HydrophobicContact CG-CG 4.29Å; K918-L937 WeakPolarHBondContact O-CD1 3.47Å; K918-A990 WeakPolarHBondContact O-CB 3.17Å
919	G	79.8	Confident	79	Confident	25 Å²	25	47.2 Å²	47.2	26%	0.258	25%	0.247	S	C	.	.	S	Bend	trans	-127.1	-17	-175.2	0	0	0	0	0	115.2	T917 L937	T917-G919 PolarHBondContact O-N 2.91Å; T917-G919 PolarHBondContact OG1-N 3.3Å; G919-L937 VanDerWaalsContact C-CG 3.5Å; G919-L937 WeakPolarHBondContact O-CG 3.34Å; G919-L937 PolarHBondContact O-N 3.33Å
920	H	85.5	Confident	78.2	Confident	61 Å²	61	51.9 Å²	51.9	28%	0.282	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.8	-169.8	-58	88	0	0	0	113.4	T917 I922 V934 I935	T917-H920 PolarHBondContact N-O 3.37Å; T917-H920 PolarHBondContact OG1-N 3.41Å; T917-H920 PolarHBondContact OG1-O 2.99Å; H920-I922 HydrophobicContact CB-CG1 4.22Å; H920-V934 HydrophobicContact CB-CG1 4.27Å; H920-I935 CarbonylContact C-O 3.52Å; H920-I935 VanDerWaalsContact CA-O 3.27Å; H920-I935 WeakPolarHBondContact CA-O 3.39Å
921	V	85.3	Confident	77.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.8	163.3	-178.2	0	0	0	0	108.5	L914 L916 I935 L937	L914-V921 HydrophobicContact CD1-CG1 4.33Å; L914-V921 HydrophobicContact CD2-CG1 4.46Å; L914-V921 HydrophobicContact CG-CG1 4.25Å; L916-V921 HydrophobicContact CD1-CG2 3.84Å; V921-I935 HydrophobicContact CB-CB 4.34Å; V921-I935 PolarHBondContact N-O 2.97Å; V921-I935 WeakPolarHBondContact O-CB 3.37Å; V921-I935 PolarHBondContact O-N 3.44Å; V921-L937 HydrophobicContact CG2-CD2 3.65Å
922	I	84.6	Confident	76.3	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.4	-174.6	-52	159.2	0	0	0	109.3	E890 L914 L915 T917 H920 T924 A931 I933 V934	E890-I922 WeakPolarHBondContact OE2-CD1 3.28Å; L914-I922 WeakPolarHBondContact CA-O 3.4Å; L915-I922 HydrophobicContact CB-CB 4.27Å; L915-I922 PolarHBondContact N-O 3.26Å; L915-I922 PolarHBondContact O-N 3.49Å; T917-I922 HydrophobicContact CG2-CD1 4.23Å; H920-I922 HydrophobicContact CB-CG1 4.22Å; I922-T924 HydrophobicContact CG2-CG2 3.84Å; I922-A931 HydrophobicContact CG2-CB 4.33Å; I922-I933 WeakPolarHBondContact CA-O 3.44Å; I922-V934 HydrophobicContact CG1-CG1 4.22Å; I922-V934 HydrophobicContact CG2-CG2 4.29Å
923	L	82.9	Confident	75.7	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.9	174.6	-67.1	176	0	0	0	110.9	V899 I913 L914 K932 I933 L971	V899-L923 HydrophobicContact CG2-CD2 4.15Å; I913-L923 WeakPolarHBondContact O-CA 3.43Å; L914-L923 HydrophobicContact CB-CD2 3.8Å; L914-L923 HydrophobicContact CD1-CD2 3.92Å; L914-L923 HydrophobicContact CG-CD2 3.88Å; L923-K932 PolarHBondContact O-N 2.91Å; L923-I933 HydrophobicContact CB-CB 4.31Å; L923-I933 PolarHBondContact N-O 3Å; L923-I933 PolarHBondContact O-N 3.02Å; L923-L971 HydrophobicContact CD1-CD2 4.48Å
924	T	80	Confident	75.3	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	158.7	-178.9	78.6	0	0	0	0	112.1	L885 R912 I913 I922	L885-T924 HydrophobicContact CD2-CG2 4.28Å; R912-T924 WeakPolarHBondContact CA-O 3.47Å; R912-T924 WeakPolarHBondContact CB-O 3.29Å; R912-T924 VanDerWaalsContact CD-O 3.3Å; R912-T924 WeakPolarHBondContact CD-O 3.47Å; I913-T924 PolarHBondContact N-O 3.12Å; I913-T924 PolarHBondContact O-N 2.76Å; I922-T924 HydrophobicContact CG2-CG2 3.84Å
925	D	75.8	Confident	75	Confident	37 Å²	37	60.7 Å²	60.7	20%	0.198	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.8	177.5	-149.1	-35	0	0	0	110.4	R912 K927 K932	R912-D925 IonicContact CZ-OD1 3.9Å; R912-D925 IonicContact CZ-OD2 2.68Å; R912-D925 IonicContact NH1-OD1 3.68Å; R912-D925 PolarHBondContact NH1-OD1 3.45Å; R912-D925 IonicContact NH1-OD2 2.82Å; R912-D925 PolarHBondContact NH1-OD2 3.21Å; R912-D925 IonicContact NH2-OD2 3.83Å; D925-K927 PolarHBondContact O-N 2.74Å; D925-K932 IonicContact OD2-NZ 3.82Å
926	T	65.5	Low	74.8	Confident	72 Å²	72	61 Å²	61	44%	0.442	32%	0.317	S	S	.	.	S	Bend	trans	-69.9	-15.5	-176	47.9	0	0	0	0	113.5	I913	I913-T926 HydrophobicContact CD1-CG2 4.37Å; I913-T926 HydrophobicContact CG1-CG2 3.97Å
927	K	65.4	Low	74.6	Confident	191 Å²	191	61.1 Å²	61.1	83%	0.83	32%	0.317	S	S	*	.	S	Bend	trans	-111.2	-15.6	-176.3	-64	-172.8	179.3	-174.5	0	115.8	D925	D925-K927 PolarHBondContact O-N 2.74Å
928	K	58.8	Low	74.3	Confident	162 Å²	162	65.8 Å²	65.8	70%	0.704	34%	0.342	S	S	*	.	S	Bend	trans	-127.1	125.4	-177	-68.3	-171.3	178.2	-171	0	110.4	Q930	K928-Q930 PolarHBondContact O-N 3.35Å
929	S	55.7	Low	74.2	Confident	81 Å²	81	61.2 Å²	61.2	57%	0.566	32%	0.324	S	S	*	.	S	Bend	trans	-79.7	40.6	-173.7	-54.7	0	0	0	0	115
930	Q	58.7	Low	74.4	Confident	163 Å²	163	60.1 Å²	60.1	76%	0.762	31%	0.312	S	S	*	.	S	Bend	trans	-129.2	138	174.2	-76.8	-177.7	-17.7	0	0	110.6	K928 K932	K928-Q930 PolarHBondContact O-N 3.35Å; Q930-K932 PolarHBondContact O-N 2.71Å
931	A	59.1	Low	74.2	Confident	64 Å²	64	58.3 Å²	58.3	53%	0.529	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.6	-179.8	0	0	0	0	0	110.5	I922 V934	I922-A931 HydrophobicContact CG2-CB 4.33Å; A931-V934 HydrophobicContact CB-CG2 4.28Å
932	K	63.1	Low	74.3	Confident	136 Å²	136	58.5 Å²	58.5	59%	0.591	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	-31.9	-173.6	-160.2	168.8	-173.8	168.9	0	112.8	L923 D925 Q930	L923-K932 PolarHBondContact O-N 2.91Å; D925-K932 IonicContact OD2-NZ 3.82Å; Q930-K932 PolarHBondContact O-N 2.71Å
933	I	73.4	Confident	74.5	Confident	48 Å²	48	58.1 Å²	58.1	25%	0.246	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	122.8	178.2	-55.4	172	0	0	0	107.5	I922 L923 I935 F969	I922-I933 WeakPolarHBondContact CA-O 3.44Å; L923-I933 HydrophobicContact CB-CB 4.31Å; L923-I933 PolarHBondContact N-O 3Å; L923-I933 PolarHBondContact O-N 3.02Å; I933-I935 HydrophobicContact CG2-CD1 4.18Å; I933-I935 HydrophobicContact CG2-CG1 3.91Å; I933-F969 HydrophobicContact CD1-CE1 3.9Å; I933-F969 HydrophobicContact CD1-CZ 3.9Å; I933-F969 HydrophobicContact CG2-CE2 4.34Å; I933-F969 HydrophobicContact CG2-CZ 4.08Å
934	V	79.6	Confident	74.7	Confident	65 Å²	65	58.4 Å²	58.4	39%	0.394	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.4	174.2	-177	0	0	0	0	106.8	H920 I922 A931	H920-V934 HydrophobicContact CB-CG1 4.27Å; I922-V934 HydrophobicContact CG1-CG1 4.22Å; I922-V934 HydrophobicContact CG2-CG2 4.29Å; A931-V934 HydrophobicContact CB-CG2 4.28Å
935	I	80.2	Confident	75.1	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.9	-177.8	-55.8	168.9	0	0	0	107.5	H920 V921 I933 N939 V940 L955 L957 F969	H920-I935 CarbonylContact C-O 3.52Å; H920-I935 VanDerWaalsContact CA-O 3.27Å; H920-I935 WeakPolarHBondContact CA-O 3.39Å; V921-I935 HydrophobicContact CB-CB 4.34Å; V921-I935 PolarHBondContact N-O 2.97Å; V921-I935 WeakPolarHBondContact O-CB 3.37Å; V921-I935 PolarHBondContact O-N 3.44Å; I933-I935 HydrophobicContact CG2-CD1 4.18Å; I933-I935 HydrophobicContact CG2-CG1 3.91Å; I935-N939 HydrophobicContact CG2-CB 4.49Å; I935-V940 HydrophobicContact CG2-CG2 4.05Å; I935-L955 HydrophobicContact CD1-CD2 4.11Å; I935-L957 HydrophobicContact CD1-CD2 4.48Å; I935-L957 HydrophobicContact CG2-CD2 3.72Å; I935-F969 HydrophobicContact CD1-CD2 3.84Å; I935-F969 HydrophobicContact CD1-CE2 3.57Å
936	G	82.1	Confident	75.6	Confident	9 Å²	9	56.6 Å²	56.6	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	142.7	171.3	0	0	0	0	0	111.4	D938 N939	G936-D938 WeakPolarHBondContact CA-OD1 3.49Å; G936-D938 PolarHBondContact O-N 3.36Å; G936-N939 WeakPolarHBondContact O-CB 3.48Å; G936-N939 PolarHBondContact O-N 3.04Å
937	L	82.2	Confident	76.5	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.3	-179.2	-71.4	176.3	0	0	0	113.1	L916 K918 G919 V921 N939 V940 A986 V987 A990	L916-L937 HydrophobicContact CD1-CD2 4.07Å; K918-L937 WeakPolarHBondContact O-CD1 3.47Å; G919-L937 VanDerWaalsContact C-CG 3.5Å; G919-L937 WeakPolarHBondContact O-CG 3.34Å; G919-L937 PolarHBondContact O-N 3.33Å; V921-L937 HydrophobicContact CG2-CD2 3.65Å; L937-N939 PolarHBondContact O-N 3.39Å; L937-V940 PolarHBondContact O-N 3.2Å; L937-A986 HydrophobicContact CD1-CB 3.75Å; L937-V987 HydrophobicContact CB-CG2 4.1Å; L937-V987 HydrophobicContact CD2-CG2 3.78Å; L937-V987 HydrophobicContact CG-CG2 4.4Å; L937-A990 HydrophobicContact CD1-CB 4.3Å
938	D	80.1	Confident	77.4	Confident	100 Å²	100	47.2 Å²	47.2	54%	0.535	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.7	-29.5	169	62.9	-42.4	0	0	0	113.3	G936 T991	G936-D938 WeakPolarHBondContact CA-OD1 3.49Å; G936-D938 PolarHBondContact O-N 3.36Å; D938-T991 HydrophobicContact CB-CG2 4.34Å
939	N	81.1	Confident	78.5	Confident	39 Å²	39	45.6 Å²	45.6	21%	0.209	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-89.4	-1.8	-178.5	-66.4	-70.2	0	0	0	113.5	I935 G936 L937 A941 L957 S958	I935-N939 HydrophobicContact CG2-CB 4.49Å; G936-N939 WeakPolarHBondContact O-CB 3.48Å; G936-N939 PolarHBondContact O-N 3.04Å; L937-N939 PolarHBondContact O-N 3.39Å; N939-A941 PolarHBondContact O-N 3.15Å; N939-L957 VanDerWaalsContact O-CA 3.29Å; N939-L957 WeakPolarHBondContact O-CA 3.21Å; N939-L957 WeakPolarHBondContact O-CD2 3.41Å; N939-S958 WeakPolarHBondContact CA-OG 3.31Å; N939-S958 PolarHBondContact O-N 3.49Å; N939-S958 PolarHBondContact O-OG 3.38Å
940	V	84.1	Confident	79.8	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.8	177.3	-173.7	0	0	0	0	109	I935 L937 L955 L957 V987 L995	I935-V940 HydrophobicContact CG2-CG2 4.05Å; L937-V940 PolarHBondContact O-N 3.2Å; V940-L955 HydrophobicContact CG1-CD1 3.53Å; V940-L955 HydrophobicContact CG1-CG 4.24Å; V940-L957 HydrophobicContact CG2-CD2 4.43Å; V940-V987 HydrophobicContact CB-CG2 4.49Å; V940-L995 HydrophobicContact CB-CD1 4.42Å; V940-L995 HydrophobicContact CG1-CD1 3.77Å; V940-L995 HydrophobicContact CG1-CD2 4.4Å; V940-L995 WeakPolarHBondContact O-CD1 3.39Å
941	A	81.3	Confident	81	Confident	23 Å²	23	35.3 Å²	35.3	19%	0.19	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-34.3	-177.9	0	0	0	0	0	113.5	N939 H956	N939-A941 PolarHBondContact O-N 3.15Å; A941-H956 PolarHBondContact N-O 2.94Å
942	G	86.3	Confident	82.2	Confident	6 Å²	6	32.3 Å²	32.3	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	171.9	-175.5	0	0	0	0	0	112.9	H956 A996	G942-H956 PolarHBondContact N-O 2.89Å; G942-H956 WeakPolarHBondContact O-CB 3.34Å; G942-H956 PolarHBondContact O-N 3.27Å; G942-A996 CarbonylContact C-O 3.54Å; G942-A996 VanDerWaalsContact CA-O 3.28Å; G942-A996 WeakPolarHBondContact CA-O 3.48Å
943	V	89.1	Confident	83.4	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130	174.7	174.3	0	0	0	0	109	F953 S954 L955 L980 L995 A996 V997 T998	V943-F953 HydrophobicContact CG1-CB 4.36Å; V943-F953 HydrophobicContact CG1-CD2 4.17Å; V943-S954 CarbonylContact C-O 3.58Å; V943-S954 VanDerWaalsContact CA-O 3.3Å; V943-S954 WeakPolarHBondContact CA-O 3.48Å; V943-L955 HydrophobicContact CG2-CD1 3.78Å; V943-L980 HydrophobicContact CG1-CD1 3.82Å; V943-L980 HydrophobicContact CG1-CD2 3.65Å; V943-L980 HydrophobicContact CG1-CG 4.33Å; V943-L980 HydrophobicContact CG2-CD2 4.29Å; V943-L995 HydrophobicContact CG2-CD2 3.96Å; V943-A996 PolarHBondContact N-O 3.11Å; V943-V997 HydrophobicContact CB-CG2 4.5Å; V943-V997 CarbonylContact O-C 3.56Å; V943-V997 WeakPolarHBondContact O-CA 3.28Å; V943-T998 PolarHBondContact O-N 3.2Å
944	S	87.4	Confident	84	Confident	11 Å²	11	23.6 Å²	23.6	8%	0.077	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.1	166.1	-61.4	0	0	0	0	109.7	F953 S954 H956 T998	S944-F953 CarbonylContact O-C 3.53Å; S944-F953 VanDerWaalsContact O-CA 3.31Å; S944-F953 WeakPolarHBondContact O-CA 3.36Å; S944-S954 PolarHBondContact N-O 2.83Å; S944-S954 PolarHBondContact O-N 2.85Å; S944-H956 VanDerWaalsContact CB-NE2 3.31Å; S944-H956 WeakPolarHBondContact CB-NE2 3.41Å; S944-H956 PolarHBondContact OG-CD2 2.88Å; S944-H956 PolarHBondContact OG-NE2 3.44Å; S944-T998 CarbonylContact C-O 3.59Å; S944-T998 VanDerWaalsContact CA-O 3.28Å; S944-T998 WeakPolarHBondContact CA-O 3.4Å
945	V	89.2	Confident	84.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.5	177.9	67.7	0	0	0	0	109.5	F854 K858 L952 F953 V976 L980 T998 V999 T1000	F854-V945 HydrophobicContact CD1-CG1 4.48Å; F854-V945 HydrophobicContact CE1-CG1 3.97Å; K858-V945 HydrophobicContact CD-CG1 4.34Å; K858-V945 HydrophobicContact CD-CG2 3.78Å; V945-L952 WeakPolarHBondContact CG2-O 3.46Å; V945-F953 HydrophobicContact CB-CB 4.09Å; V945-F953 HydrophobicContact CG2-CB 4.01Å; V945-V976 HydrophobicContact CG2-CG2 4.15Å; V945-L980 HydrophobicContact CB-CD1 3.93Å; V945-L980 HydrophobicContact CG1-CD1 4.31Å; V945-L980 HydrophobicContact CG2-CD1 3.96Å; V945-T998 PolarHBondContact N-O 2.89Å; V945-V999 HydrophobicContact CG1-CB 4.38Å; V945-V999 HydrophobicContact CG1-CG1 4.33Å; V945-V999 HydrophobicContact CG1-CG2 3.78Å; V945-V999 CarbonylContact O-C 3.58Å; V945-V999 VanDerWaalsContact O-CA 3.25Å; V945-V999 WeakPolarHBondContact O-CA 3.41Å; V945-T1000 PolarHBondContact O-N 3.49Å
946	T	85.8	Confident	84.7	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.			trans	-74.7	154.7	177.7	60.4	0	0	0	0	111.7	K858 F948 D950 L952 V1016	K858-T946 WeakPolarHBondContact CD-O 3.31Å; K858-T946 WeakPolarHBondContact CG-O 3.35Å; K858-T946 PolarHBondContact NZ-O 3.33Å; K858-T946 PolarHBondContact NZ-OG1 3.34Å; K858-T946 VanDerWaalsContact NZ-OG1 3.15Å; T946-F948 VanDerWaalsContact C-N 3.35Å; T946-D950 WeakPolarHBondContact CB-OD2 3.43Å; T946-D950 PolarHBondContact OG1-OD1 3.08Å; T946-D950 PolarHBondContact OG1-OD2 3.19Å; T946-L952 HydrophobicContact CG2-CB 4.33Å; T946-L952 HydrophobicContact CG2-CD2 4.2Å; T946-V1016 HydrophobicContact CG2-CB 3.99Å; T946-V1016 HydrophobicContact CG2-CG1 3.85Å; T946-V1016 HydrophobicContact CG2-CG2 3.66Å
947	S	84	Confident	84.8	Confident	25 Å²	25	22.4 Å²	22.4	18%	0.175	12%	0.121	C	C	.	.	S	Bend	trans	-77.8	-16.7	172.5	61.3	0	0	0	0	113.3	K857 A859 E1001	K857-S947 WeakPolarHBondContact O-CB 3.26Å; A859-S947 VanDerWaalsContact CB-O 3.29Å; A859-S947 WeakPolarHBondContact CB-O 3.31Å; A859-S947 PolarHBondContact N-O 3.43Å; S947-E1001 VanDerWaalsContact CB-OE1 3.27Å; S947-E1001 WeakPolarHBondContact CB-OE1 3.43Å; S947-E1001 PolarHBondContact OG-OE1 3.28Å
948	F	84.6	Confident	84.2	Confident	41 Å²	41	24.3 Å²	24.3	18%	0.18	14%	0.135	C	C	.	.	S	Bend	trans	-76	178.1	-178.3	-47.6	-71.4	0	0	0	113.1	K858 T946 D950 E1001 V1016 Q1018 V1042	K858-F948 PolarHBondContact NZ-O 3.48Å; T946-F948 VanDerWaalsContact C-N 3.35Å; F948-D950 WeakPolarHBondContact CB-OD2 3.31Å; F948-D950 PolarHBondContact O-N 3.38Å; F948-E1001 HydrophobicContact CE2-CB 4.46Å; F948-E1001 HydrophobicContact CE2-CG 3.85Å; F948-E1001 HydrophobicContact CZ-CG 3.87Å; F948-V1016 HydrophobicContact CD2-CG1 3.97Å; F948-V1016 HydrophobicContact CE2-CB 4.37Å; F948-V1016 HydrophobicContact CE2-CG1 3.98Å; F948-Q1018 HydrophobicContact CD1-CB 4.2Å; F948-Q1018 HydrophobicContact CD1-CG 4.45Å; F948-Q1018 HydrophobicContact CE1-CB 3.96Å; F948-Q1018 HydrophobicContact CZ-CB 4.27Å; F948-V1042 HydrophobicContact CB-CG2 4.22Å; F948-V1042 HydrophobicContact CD2-CG2 3.7Å; F948-V1042 HydrophobicContact CE2-CG2 4.41Å; F948-V1042 HydrophobicContact CG-CG2 4.18Å
949	K	81.1	Confident	83.4	Confident	128 Å²	128	26.8 Å²	26.8	56%	0.557	14%	0.143	S	C	*	.	S	Bend	trans	-72.1	-3.9	-178.5	-72.6	-174.2	178.4	177.1	0	114	A859	A859-K949 HydrophobicContact CB-CG 3.81Å
950	D	82.9	Confident	82.1	Confident	16 Å²	16	30.2 Å²	30.2	9%	0.086	16%	0.159	C	C	.	.	S	Bend	trans	-75	166.8	-176.9	74.3	89.1	0	0	0	113.4	K858 T946 F948 L952 V1042	K858-D950 WeakPolarHBondContact CE-O 3.11Å; K858-D950 PolarHBondContact NZ-O 3.06Å; T946-D950 WeakPolarHBondContact CB-OD2 3.43Å; T946-D950 PolarHBondContact OG1-OD1 3.08Å; T946-D950 PolarHBondContact OG1-OD2 3.19Å; F948-D950 WeakPolarHBondContact CB-OD2 3.31Å; F948-D950 PolarHBondContact O-N 3.38Å; D950-L952 WeakPolarHBondContact OD1-CA 3.29Å; D950-L952 WeakPolarHBondContact OD1-CB 3.09Å; D950-L952 PolarHBondContact OD1-N 3.01Å; D950-V1042 HydrophobicContact CB-CB 3.77Å; D950-V1042 HydrophobicContact CB-CG1 3.8Å; D950-V1042 HydrophobicContact CB-CG2 4.31Å
951	G	83.4	Confident	80	Confident	13 Å²	13	33.5 Å²	33.5	13%	0.134	18%	0.182	C	C	.	.			trans	-92	6	-179.6	0	0	0	0	0	115.9	V972 S973	G951-V972 WeakPolarHBondContact O-CA 3.39Å; G951-S973 WeakPolarHBondContact CA-O 3.44Å; G951-S973 PolarHBondContact O-N 2.94Å
952	L	84.9	Confident	78.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.4	-170.6	-169.6	75.3	0	0	0	111.6	V902 V945 T946 D950 L970 L971 V972 V1016 L1028 V1040	V902-L952 HydrophobicContact CG2-CD1 4.37Å; V945-L952 WeakPolarHBondContact CG2-O 3.46Å; T946-L952 HydrophobicContact CG2-CB 4.33Å; T946-L952 HydrophobicContact CG2-CD2 4.2Å; D950-L952 WeakPolarHBondContact OD1-CA 3.29Å; D950-L952 WeakPolarHBondContact OD1-CB 3.09Å; D950-L952 PolarHBondContact OD1-N 3.01Å; L952-L970 HydrophobicContact CD1-CD1 3.78Å; L952-L970 HydrophobicContact CD1-CD2 4.19Å; L952-L970 HydrophobicContact CD1-CG 3.75Å; L952-L970 HydrophobicContact CD2-CD1 4.25Å; L952-L970 HydrophobicContact CG-CD1 3.87Å; L952-L970 HydrophobicContact CG-CG 4.4Å; L952-L971 WeakPolarHBondContact CA-O 3.2Å; L952-V972 HydrophobicContact CD1-CG2 3.51Å; L952-V1016 HydrophobicContact CD2-CG2 4Å; L952-L1028 HydrophobicContact CD1-CD2 4.15Å; L952-L1028 HydrophobicContact CD2-CD2 4.38Å; L952-V1040 HydrophobicContact CD2-CB 4.3Å; L952-V1040 HydrophobicContact CD2-CG1 3.79Å
953	F	89.1	Confident	76.3	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.4	171.6	72.6	-83.6	0	0	0	111.5	V943 S944 V945 L971 V976 L979 L980	V943-F953 HydrophobicContact CG1-CB 4.36Å; V943-F953 HydrophobicContact CG1-CD2 4.17Å; S944-F953 CarbonylContact O-C 3.53Å; S944-F953 VanDerWaalsContact O-CA 3.31Å; S944-F953 WeakPolarHBondContact O-CA 3.36Å; V945-F953 HydrophobicContact CB-CB 4.09Å; V945-F953 HydrophobicContact CG2-CB 4.01Å; F953-L971 HydrophobicContact CD1-CB 4.24Å; F953-L971 HydrophobicContact CE1-CB 3.66Å; F953-L971 HydrophobicContact CE2-CB 4.14Å; F953-L971 HydrophobicContact CE2-CD1 4Å; F953-L971 HydrophobicContact CZ-CB 3.61Å; F953-L971 HydrophobicContact CZ-CD1 3.73Å; F953-L971 HydrophobicContact CZ-CG 4.31Å; F953-L971 PolarHBondContact N-O 3.39Å; F953-L971 PolarHBondContact O-N 2.87Å; F953-L971 VanDerWaalsContact O-O 3.1Å; F953-V976 HydrophobicContact CB-CG2 4.34Å; F953-V976 HydrophobicContact CD1-CG2 3.82Å; F953-V976 HydrophobicContact CG-CG2 4.37Å; F953-L979 HydrophobicContact CE1-CD2 3.83Å; F953-L979 HydrophobicContact CZ-CD2 3.72Å; F953-L980 HydrophobicContact CB-CD1 4.14Å; F953-L980 HydrophobicContact CD1-CD2 4.47Å; F953-L980 HydrophobicContact CD2-CD2 3.64Å; F953-L980 HydrophobicContact CE2-CD2 3.83Å; F953-L980 HydrophobicContact CG-CD1 4.4Å; F953-L980 HydrophobicContact CG-CD2 3.97Å; F953-L980 HydrophobicContact CZ-CD2 4.34Å
954	S	85.6	Confident	74.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.5	173.6	176.1	0	0	0	0	110	V943 S944 H956 F969 F1003	V943-S954 CarbonylContact C-O 3.58Å; V943-S954 VanDerWaalsContact CA-O 3.3Å; V943-S954 WeakPolarHBondContact CA-O 3.48Å; S944-S954 PolarHBondContact N-O 2.83Å; S944-S954 PolarHBondContact O-N 2.85Å; S954-H956 PolarHBondContact OG-CE1 2.91Å; S954-H956 PolarHBondContact OG-NE2 3.23Å; S954-F969 CarbonylContact C-O 3.55Å; S954-F969 VanDerWaalsContact CA-O 3.29Å; S954-F969 WeakPolarHBondContact CA-O 3.5Å; S954-F1003 VanDerWaalsContact CB-CE2 3.44Å
955	L	87.7	Confident	72.8	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.6	171.5	-168.9	71.2	0	0	0	108.7	I935 V940 V943 L957 D968 F969	I935-L955 HydrophobicContact CD1-CD2 4.11Å; V940-L955 HydrophobicContact CG1-CD1 3.53Å; V940-L955 HydrophobicContact CG1-CG 4.24Å; V943-L955 HydrophobicContact CG2-CD1 3.78Å; L955-L957 HydrophobicContact CD2-CD2 4.49Å; L955-L957 HydrophobicContact CG-CD2 4.46Å; L955-D968 WeakPolarHBondContact O-CA 3.4Å; L955-D968 WeakPolarHBondContact O-CB 3.45Å; L955-F969 HydrophobicContact CB-CB 4.46Å; L955-F969 PolarHBondContact N-O 2.94Å; L955-F969 PolarHBondContact O-N 3.4Å; L955-F969 VanDerWaalsContact O-N 3.12Å
956	H	86	Confident	71.4	Confident	27 Å²	27	55.3 Å²	55.3	13%	0.125	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.4	-179.5	-59.6	-71.4	0	0	0	111.1	A941 G942 S944 S954 D968 S1004	A941-H956 PolarHBondContact N-O 2.94Å; G942-H956 PolarHBondContact N-O 2.89Å; G942-H956 WeakPolarHBondContact O-CB 3.34Å; G942-H956 PolarHBondContact O-N 3.27Å; S944-H956 VanDerWaalsContact CB-NE2 3.31Å; S944-H956 WeakPolarHBondContact CB-NE2 3.41Å; S944-H956 PolarHBondContact OG-CD2 2.88Å; S944-H956 PolarHBondContact OG-NE2 3.44Å; S954-H956 PolarHBondContact OG-CE1 2.91Å; S954-H956 PolarHBondContact OG-NE2 3.23Å; H956-D968 WeakPolarHBondContact CA-OD1 3.45Å; H956-D968 IonicContact CE1-OD2 3.97Å; H956-D968 IonicContact CG-OD2 2.69Å; H956-D968 IonicContact ND1-OD1 2.76Å; H956-D968 IonicContact ND1-OD2 3.13Å; H956-D968 PolarHBondContact ND1-OD2 2.87Å; H956-S1004 PolarHBondContact CE1-O 3.16Å; H956-S1004 VanDerWaalsContact CE1-O 3.23Å
957	L	84.1	Confident	70.7	Confident	33 Å²	33	56.2 Å²	56.2	17%	0.173	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145	-176.7	-56.6	178.4	0	0	0	111.6	I935 N939 V940 L955 D968 F969	I935-L957 HydrophobicContact CD1-CD2 4.48Å; I935-L957 HydrophobicContact CG2-CD2 3.72Å; N939-L957 VanDerWaalsContact O-CA 3.29Å; N939-L957 WeakPolarHBondContact O-CA 3.21Å; N939-L957 WeakPolarHBondContact O-CD2 3.41Å; V940-L957 HydrophobicContact CG2-CD2 4.43Å; L955-L957 HydrophobicContact CD2-CD2 4.49Å; L955-L957 HydrophobicContact CG-CD2 4.46Å; L957-D968 PolarHBondContact N-OD1 2.97Å; L957-D968 VanDerWaalsContact N-OD1 3.1Å; L957-F969 HydrophobicContact CD1-CD2 4.21Å; L957-F969 HydrophobicContact CD1-CE2 3.88Å
958	S	70.3	Confident	70.6	Confident	43 Å²	43	55.2 Å²	55.2	30%	0.301	32%	0.323	S	S	.	.	S	Bend	trans	-75.4	-40.5	-171.7	31.8	0	0	0	0	114.7	N939	N939-S958 WeakPolarHBondContact CA-OG 3.31Å; N939-S958 PolarHBondContact O-N 3.49Å; N939-S958 PolarHBondContact O-OG 3.38Å
959	E	62.8	Low	70.7	Confident	152 Å²	152	53.9 Å²	53.9	71%	0.71	32%	0.317	S	S	*	.	S	Bend	trans	-179.2	169.3	160.2	-110.1	162.3	-157.8	0	0	113.3	S961	E959-S961 PolarHBondContact O-N 2.79Å
960	M	54.6	Low	70.9	Confident	110 Å²	110	48 Å²	48	54%	0.542	29%	0.292	S	S	.	.			trans	-69	100.5	-159.9	-65.5	-168.8	160.4	0	0	115.8	S965	M960-S965 WeakPolarHBondContact CE-OG 3.32Å; M960-S965 WeakPolarHBondContact SD-CB 3.28Å; M960-S965 PolarHBondContact SD-OG 2.94Å
961	S	40.8	Very low	71.1	Confident	71 Å²	71	47.3 Å²	47.3	50%	0.497	29%	0.289	S	S	.	.			trans	-86.6	111.2	163.6	48.4	0	0	0	0	112	E959 V963	E959-S961 PolarHBondContact O-N 2.79Å; S961-V963 VanDerWaalsContact C-N 3.3Å; S961-V963 PolarHBondContact O-N 3.23Å
962	S	45.6	Very low	71.2	Confident	122 Å²	122	47.6 Å²	47.6	85%	0.853	29%	0.287	S	S	*	.	S	Bend	trans	21.9	2.7	153.6	51.7	0	0	0	0	125.2
963	V	43.8	Very low	71.4	Confident	138 Å²	138	47.6 Å²	47.6	84%	0.836	29%	0.288	S	S	*	.	S	Bend	trans	-139	97.6	169.7	-170.4	0	0	0	0	111.6	S961	S961-V963 VanDerWaalsContact C-N 3.3Å; S961-V963 PolarHBondContact O-N 3.23Å
964	G	51.6	Low	71.1	Confident	66 Å²	66	54.9 Å²	54.9	68%	0.68	32%	0.322	S	S	*	.			trans	80	30.4	165.6	0	0	0	0	0	116	K966	G964-K966 WeakPolarHBondContact O-CB 3.34Å; G964-K966 PolarHBondContact O-N 3.46Å; G964-K966 VanDerWaalsContact O-N 3.08Å
965	S	51.5	Low	71.3	Confident	50 Å²	50	57.8 Å²	57.8	35%	0.35	34%	0.335	S	S	.	.			trans	-49.3	109.9	-175.3	68	0	0	0	0	113.2	M960	M960-S965 WeakPolarHBondContact CE-OG 3.32Å; M960-S965 WeakPolarHBondContact SD-CB 3.28Å; M960-S965 PolarHBondContact SD-OG 2.94Å
966	K	58.4	Low	71.3	Confident	125 Å²	125	58 Å²	58	54%	0.543	34%	0.336	S	S	.	.			trans	-122.9	-4.3	-177.3	-102.3	-175.3	-167.1	179.2	0	109.7	R904 G964	R904-K966 VanDerWaalsContact NH1-C 3.28Å; R904-K966 VanDerWaalsContact NH1-CA 3.32Å; R904-K966 PolarHBondContact NH1-O 3.11Å; R904-K966 PolarHBondContact NH2-O 2.88Å; G964-K966 WeakPolarHBondContact O-CB 3.34Å; G964-K966 PolarHBondContact O-N 3.46Å; G964-K966 VanDerWaalsContact O-N 3.08Å
967	G	72.4	Confident	71.5	Confident	19 Å²	19	57 Å²	57	20%	0.196	33%	0.332	C	S	.	.			trans	73.1	-161	-175.3	0	0	0	0	0	111.7	R904 R1006	R904-G967 PolarHBondContact NH2-O 2.96Å; G967-R1006 CarbonylContact C-O 3.47Å; G967-R1006 WeakPolarHBondContact CA-O 3.3Å
968	D	81.8	Confident	71.8	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	33%	0.325	C	S	.	.			trans	-56	154.7	-166.9	-60.9	-15.4	0	0	0	113.9	R904 L955 H956 L957 M1005 R1006 F1007	R904-D968 PolarHBondContact NH2-O 3.46Å; L955-D968 WeakPolarHBondContact O-CA 3.4Å; L955-D968 WeakPolarHBondContact O-CB 3.45Å; H956-D968 WeakPolarHBondContact CA-OD1 3.45Å; H956-D968 IonicContact CE1-OD2 3.97Å; H956-D968 IonicContact CG-OD2 2.69Å; H956-D968 IonicContact ND1-OD1 2.76Å; H956-D968 IonicContact ND1-OD2 3.13Å; H956-D968 PolarHBondContact ND1-OD2 2.87Å; L957-D968 PolarHBondContact N-OD1 2.97Å; L957-D968 VanDerWaalsContact N-OD1 3.1Å; D968-M1005 HydrophobicContact CB-CB 4.33Å; D968-M1005 HydrophobicContact CB-CE 3.58Å; D968-R1006 PolarHBondContact N-O 3.12Å; D968-R1006 PolarHBondContact OD2-N 3.28Å; D968-F1007 WeakPolarHBondContact O-CE1 3.35Å
969	F	85.7	Confident	72.7	Confident	12 Å²	12	53.6 Å²	53.6	5%	0.053	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.6	-179.9	-65.6	-69	0	0	0	111.7	I933 I935 S954 L955 L957 L971 M1005	I933-F969 HydrophobicContact CD1-CE1 3.9Å; I933-F969 HydrophobicContact CD1-CZ 3.9Å; I933-F969 HydrophobicContact CG2-CE2 4.34Å; I933-F969 HydrophobicContact CG2-CZ 4.08Å; I935-F969 HydrophobicContact CD1-CD2 3.84Å; I935-F969 HydrophobicContact CD1-CE2 3.57Å; S954-F969 CarbonylContact C-O 3.55Å; S954-F969 VanDerWaalsContact CA-O 3.29Å; S954-F969 WeakPolarHBondContact CA-O 3.5Å; L955-F969 HydrophobicContact CB-CB 4.46Å; L955-F969 PolarHBondContact N-O 2.94Å; L955-F969 PolarHBondContact O-N 3.4Å; L955-F969 VanDerWaalsContact O-N 3.12Å; L957-F969 HydrophobicContact CD1-CD2 4.21Å; L957-F969 HydrophobicContact CD1-CE2 3.88Å; F969-L971 HydrophobicContact CB-CG 4.38Å; F969-M1005 VanDerWaalsContact C-CE 3.5Å
970	L	85.2	Confident	73.9	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	172.4	-168.6	63.9	0	0	0	108.8	V902 L952 F1003 M1005 L1038	V902-L970 HydrophobicContact CB-CB 4.19Å; V902-L970 HydrophobicContact CB-CD2 4.05Å; V902-L970 HydrophobicContact CB-CG 4.24Å; V902-L970 HydrophobicContact CG1-CD2 4.23Å; V902-L970 HydrophobicContact CG2-CB 4.46Å; V902-L970 HydrophobicContact CG2-CD2 4.04Å; V902-L970 HydrophobicContact CG2-CG 4.06Å; V902-L970 PolarHBondContact N-O 3.31Å; L952-L970 HydrophobicContact CD1-CD1 3.78Å; L952-L970 HydrophobicContact CD1-CD2 4.19Å; L952-L970 HydrophobicContact CD1-CG 3.75Å; L952-L970 HydrophobicContact CD2-CD1 4.25Å; L952-L970 HydrophobicContact CG-CD1 3.87Å; L952-L970 HydrophobicContact CG-CG 4.4Å; L970-F1003 HydrophobicContact CD1-CE2 4.03Å; L970-F1003 HydrophobicContact CD1-CZ 3.86Å; L970-M1005 HydrophobicContact CB-CE 3.78Å; L970-M1005 HydrophobicContact CB-SD 3.79Å; L970-M1005 HydrophobicContact CD1-SD 4Å; L970-M1005 HydrophobicContact CD2-SD 4.31Å; L970-M1005 HydrophobicContact CG-SD 4.26Å; L970-L1038 HydrophobicContact CD2-CD2 4.03Å
971	L	87.8	Confident	75.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.1	-172.5	-64.2	171.3	0	0	0	110.4	V899 K900 K901 L914 L923 L952 F953 F969	V899-L971 HydrophobicContact CG2-CD2 4.21Å; K900-L971 CarbonylContact O-C 3.48Å; K900-L971 WeakPolarHBondContact O-CA 3.45Å; K901-L971 HydrophobicContact CB-CD2 3.61Å; K901-L971 HydrophobicContact CD-CD2 4.49Å; K901-L971 HydrophobicContact CG-CD2 3.93Å; L914-L971 HydrophobicContact CD1-CD1 4.14Å; L923-L971 HydrophobicContact CD1-CD2 4.48Å; L952-L971 WeakPolarHBondContact CA-O 3.2Å; F953-L971 HydrophobicContact CD1-CB 4.24Å; F953-L971 HydrophobicContact CE1-CB 3.66Å; F953-L971 HydrophobicContact CE2-CB 4.14Å; F953-L971 HydrophobicContact CE2-CD1 4Å; F953-L971 HydrophobicContact CZ-CB 3.61Å; F953-L971 HydrophobicContact CZ-CD1 3.73Å; F953-L971 HydrophobicContact CZ-CG 4.31Å; F953-L971 PolarHBondContact N-O 3.39Å; F953-L971 PolarHBondContact O-N 2.87Å; F953-L971 VanDerWaalsContact O-O 3.1Å; F969-L971 HydrophobicContact CB-CG 4.38Å
972	V	86.4	Confident	78	Confident	18 Å²	18	39 Å²	39	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.4	176.2	-174.2	0	0	0	0	107.4	V899 K900 V902 G951 L952 L1028	V899-V972 WeakPolarHBondContact CA-O 3.12Å; K900-V972 HydrophobicContact CB-CB 4.18Å; K900-V972 PolarHBondContact N-O 3.45Å; K900-V972 PolarHBondContact O-N 2.92Å; V902-V972 HydrophobicContact CG2-CG2 4.4Å; G951-V972 WeakPolarHBondContact O-CA 3.39Å; L952-V972 HydrophobicContact CD1-CG2 3.51Å; V972-L1028 HydrophobicContact CB-CD1 4.16Å; V972-L1028 HydrophobicContact CG1-CD1 3.59Å; V972-L1028 HydrophobicContact CG2-CD1 3.48Å; V972-L1028 VanDerWaalsContact CG2-CD1 3.48Å
973	S	87.5	Confident	80	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.007	19%	0.192	C	C	.	.			trans	-121.6	139.3	178.3	158	0	0	0	0	109.1	E897 G951 H975 V976	E897-S973 PolarHBondContact OE1-OG 2.9Å; E897-S973 PolarHBondContact OE2-OG 2.98Å; G951-S973 WeakPolarHBondContact CA-O 3.44Å; G951-S973 PolarHBondContact O-N 2.94Å; S973-H975 PolarHBondContact OG-N 3.35Å; S973-H975 VanDerWaalsContact OG-N 3.08Å; S973-V976 PolarHBondContact OG-N 3.28Å; S973-V976 VanDerWaalsContact OG-N 3.1Å
974	E	83.9	Confident	82.2	Confident	153 Å²	153	28 Å²	28	72%	0.715	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.7	174.4	-67.4	-176.2	177.8	0	0	110.6	E897	E897-E974 PolarHBondContact OE1-N 2.99Å
975	H	89.1	Confident	84	Confident	62 Å²	62	27.2 Å²	27.2	29%	0.287	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	37	179.3	-50.3	85.8	0	0	0	112	Y873 M895 E897 S973 I977 E978 L979	Y873-H975 AromaticContact CD1-CE1 3.69Å; Y873-H975 AromaticContact CD1-NE2 3.62Å; Y873-H975 AromaticContact CE1-CD2 3.51Å; Y873-H975 AromaticContact CE1-CE1 3.91Å; Y873-H975 AromaticContact CE1-NE2 3.38Å; Y873-H975 WeakPolarHBondContact CE1-NE2 3.36Å; Y873-H975 HydrophobicContact CE2-CB 4.44Å; Y873-H975 AromaticContact CZ-CD2 3.6Å; Y873-H975 AromaticContact CZ-CG 3.98Å; Y873-H975 AromaticContact CZ-NE2 3.99Å; M895-H975 HydrophobicContact CE-CB 4.12Å; E897-H975 IonicContact OE1-CE1 2.91Å; E897-H975 IonicContact OE1-CG 2.75Å; E897-H975 PolarHBondContact OE1-N 3.23Å; E897-H975 IonicContact OE1-ND1 3.86Å; E897-H975 PolarHBondContact OE1-ND1 3.22Å; S973-H975 PolarHBondContact OG-N 3.35Å; S973-H975 VanDerWaalsContact OG-N 3.08Å; H975-I977 PolarHBondContact O-N 3.22Å; H975-E978 PolarHBondContact O-N 2.96Å; H975-L979 PolarHBondContact O-N 3.35Å
976	V	88.1	Confident	85.6	Confident	5 Å²	5	25 Å²	25	3%	0.03	12%	0.119	C	C	.	.	H	α-helix	trans	-52.4	-35.9	-171.5	68.3	0	0	0	0	113.5	V945 F953 S973 L980	V945-V976 HydrophobicContact CG2-CG2 4.15Å; F953-V976 HydrophobicContact CB-CG2 4.34Å; F953-V976 HydrophobicContact CD1-CG2 3.82Å; F953-V976 HydrophobicContact CG-CG2 4.37Å; S973-V976 PolarHBondContact OG-N 3.28Å; S973-V976 VanDerWaalsContact OG-N 3.1Å; V976-L980 HydrophobicContact CG2-CD1 3.77Å; V976-L980 HydrophobicContact CG2-CG 4.01Å; V976-L980 WeakPolarHBondContact O-CB 3.36Å; V976-L980 VanDerWaalsContact O-CG 3.24Å; V976-L980 WeakPolarHBondContact O-CG 3.28Å; V976-L980 PolarHBondContact O-N 3.37Å
977	I	89.7	Confident	86.9	Confident	7 Å²	7	19.1 Å²	19.1	4%	0.036	9%	0.094	C	C	.	.	H	α-helix	trans	-66.1	-46.3	179.5	-57.8	-61.9	0	0	0	111.2	A850 F854 K858 Y861 S864 F869 H975 T981	A850-I977 HydrophobicContact CB-CG2 4.19Å; F854-I977 HydrophobicContact CB-CD1 4.09Å; F854-I977 HydrophobicContact CD1-CD1 4.29Å; F854-I977 HydrophobicContact CD2-CD1 4.06Å; F854-I977 HydrophobicContact CD2-CG2 3.96Å; F854-I977 HydrophobicContact CE2-CG2 4.49Å; F854-I977 HydrophobicContact CG-CD1 3.86Å; K858-I977 HydrophobicContact CD-CD1 3.79Å; K858-I977 HydrophobicContact CG-CD1 4.26Å; Y861-I977 HydrophobicContact CD2-CG2 3.96Å; Y861-I977 HydrophobicContact CE2-CG2 4.49Å; S864-I977 WeakPolarHBondContact OG-CG2 3.3Å; F869-I977 HydrophobicContact CZ-CG2 4.39Å; H975-I977 PolarHBondContact O-N 3.22Å; I977-T981 VanDerWaalsContact O-CB 3.31Å; I977-T981 WeakPolarHBondContact O-CB 3.28Å; I977-T981 PolarHBondContact O-N 2.89Å; I977-T981 PolarHBondContact O-OG1 2.81Å
978	E	90.1	Very high	87.6	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-66.9	-47.8	177.4	-178	170.7	160.9	0	0	110.5	F869 C870 G871 Y873 M895 H975 L980 T981 K982	F869-E978 WeakPolarHBondContact CA-OE2 3.49Å; F869-E978 VanDerWaalsContact CB-CD 3.41Å; F869-E978 HydrophobicContact CB-CG 4.02Å; F869-E978 WeakPolarHBondContact CB-OE2 3.37Å; F869-E978 HydrophobicContact CD1-CB 3.67Å; F869-E978 HydrophobicContact CD1-CG 3.68Å; F869-E978 WeakPolarHBondContact CD1-OE2 3.2Å; F869-E978 HydrophobicContact CD2-CG 4.03Å; F869-E978 HydrophobicContact CE1-CB 3.6Å; F869-E978 HydrophobicContact CE1-CG 4.06Å; F869-E978 HydrophobicContact CE2-CG 4.4Å; F869-E978 HydrophobicContact CG-CB 4.17Å; F869-E978 HydrophobicContact CG-CG 3.67Å; F869-E978 WeakPolarHBondContact CG-OE2 3.48Å; F869-E978 HydrophobicContact CZ-CB 4.07Å; F869-E978 HydrophobicContact CZ-CG 4.42Å; C870-E978 PolarHBondContact N-OE1 3.18Å; C870-E978 PolarHBondContact N-OE2 3.4Å; G871-E978 PolarHBondContact N-OE1 3.24Å; Y873-E978 PolarHBondContact OH-OE2 2.93Å; M895-E978 HydrophobicContact CE-CB 4.39Å; M895-E978 HydrophobicContact CE-CG 4.26Å; M895-E978 HydrophobicContact SD-CG 4.18Å; H975-E978 PolarHBondContact O-N 2.96Å; E978-L980 PolarHBondContact O-N 3.49Å; E978-T981 PolarHBondContact O-N 3.04Å; E978-K982 HydrophobicContact CG-CD 4.21Å; E978-K982 HydrophobicContact CG-CG 4.36Å; E978-K982 WeakPolarHBondContact O-CG 3.4Å; E978-K982 PolarHBondContact O-N 2.6Å; E978-K982 VanDerWaalsContact OE1-CE 3.24Å; E978-K982 WeakPolarHBondContact OE1-CE 3.45Å; E978-K982 IonicContact OE1-NZ 3.41Å
979	L	89.2	Confident	87.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.9	-51.2	-177.1	178.6	60.5	0	0	0	112	M895 V899 L914 F953 H975 T981 K982 I983	M895-L979 HydrophobicContact CE-CB 3.81Å; M895-L979 HydrophobicContact CE-CD1 4.23Å; M895-L979 HydrophobicContact CG-CD1 4.45Å; M895-L979 WeakPolarHBondContact SD-CA 3.45Å; M895-L979 HydrophobicContact SD-CB 3.88Å; M895-L979 HydrophobicContact SD-CD1 3.63Å; M895-L979 HydrophobicContact SD-CG 4.38Å; V899-L979 HydrophobicContact CG1-CD2 4.34Å; L914-L979 HydrophobicContact CD1-CD1 4.48Å; L914-L979 HydrophobicContact CD1-CD2 4.16Å; L914-L979 HydrophobicContact CD2-CD1 3.65Å; F953-L979 HydrophobicContact CE1-CD2 3.83Å; F953-L979 HydrophobicContact CZ-CD2 3.72Å; H975-L979 PolarHBondContact O-N 3.35Å; L979-T981 VanDerWaalsContact C-N 3.33Å; L979-T981 PolarHBondContact O-N 2.97Å; L979-K982 PolarHBondContact O-N 3.15Å; L979-I983 HydrophobicContact CD1-CD1 3.95Å; L979-I983 HydrophobicContact CD1-CG1 4.33Å; L979-I983 HydrophobicContact CG-CD1 3.99Å; L979-I983 VanDerWaalsContact O-CG1 3.29Å; L979-I983 WeakPolarHBondContact O-CG1 3.18Å; L979-I983 PolarHBondContact O-N 3.27Å
980	L	89.9	Confident	87.6	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-33	-179.1	-64.5	-173.8	0	0	0	112.6	F854 V943 V945 F953 V976 E978 I983 Y984	F854-L980 HydrophobicContact CE1-CD1 4.13Å; F854-L980 HydrophobicContact CE2-CB 4.14Å; F854-L980 HydrophobicContact CZ-CB 3.55Å; F854-L980 HydrophobicContact CZ-CD1 3.92Å; F854-L980 HydrophobicContact CZ-CG 4.39Å; V943-L980 HydrophobicContact CG1-CD1 3.82Å; V943-L980 HydrophobicContact CG1-CD2 3.65Å; V943-L980 HydrophobicContact CG1-CG 4.33Å; V943-L980 HydrophobicContact CG2-CD2 4.29Å; V945-L980 HydrophobicContact CB-CD1 3.93Å; V945-L980 HydrophobicContact CG1-CD1 4.31Å; V945-L980 HydrophobicContact CG2-CD1 3.96Å; F953-L980 HydrophobicContact CB-CD1 4.14Å; F953-L980 HydrophobicContact CD1-CD2 4.47Å; F953-L980 HydrophobicContact CD2-CD2 3.64Å; F953-L980 HydrophobicContact CE2-CD2 3.83Å; F953-L980 HydrophobicContact CG-CD1 4.4Å; F953-L980 HydrophobicContact CG-CD2 3.97Å; F953-L980 HydrophobicContact CZ-CD2 4.34Å; V976-L980 HydrophobicContact CG2-CD1 3.77Å; V976-L980 HydrophobicContact CG2-CG 4.01Å; V976-L980 WeakPolarHBondContact O-CB 3.36Å; V976-L980 VanDerWaalsContact O-CG 3.24Å; V976-L980 WeakPolarHBondContact O-CG 3.28Å; V976-L980 PolarHBondContact O-N 3.37Å; E978-L980 PolarHBondContact O-N 3.49Å; L980-I983 HydrophobicContact CD2-CD1 4.32Å; L980-I983 PolarHBondContact O-N 2.89Å; L980-Y984 WeakPolarHBondContact O-CB 3.14Å; L980-Y984 PolarHBondContact O-N 2.99Å
981	T	90.3	Very high	87.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-44.1	174	-57.3	0	0	0	0	111	E846 C849 A850 I977 E978 L979 Y984 R985	E846-T981 WeakPolarHBondContact O-CG2 3.35Å; C849-T981 HydrophobicContact CB-CG2 3.88Å; A850-T981 WeakPolarHBondContact CA-OG1 3.43Å; A850-T981 HydrophobicContact CB-CG2 3.93Å; A850-T981 VanDerWaalsContact CB-OG1 3.27Å; A850-T981 WeakPolarHBondContact CB-OG1 3.27Å; I977-T981 VanDerWaalsContact O-CB 3.31Å; I977-T981 WeakPolarHBondContact O-CB 3.28Å; I977-T981 PolarHBondContact O-N 2.89Å; I977-T981 PolarHBondContact O-OG1 2.81Å; E978-T981 PolarHBondContact O-N 3.04Å; L979-T981 VanDerWaalsContact C-N 3.33Å; L979-T981 PolarHBondContact O-N 2.97Å; T981-Y984 PolarHBondContact O-N 3.45Å; T981-R985 WeakPolarHBondContact O-CG 3.4Å; T981-R985 PolarHBondContact O-N 3.42Å
982	K	89.4	Confident	87.1	Confident	24 Å²	24	36.9 Å²	36.9	10%	0.104	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-36.7	178	-69.7	-166.5	-178.3	-146.8	0	112.4	E846 L894 M895 L916 E978 L979 R985 A986	E846-K982 IonicContact OE1-NZ 3.67Å; E846-K982 IonicContact OE2-NZ 2.88Å; L894-K982 PolarHBondContact O-NZ 2.89Å; M895-K982 HydrophobicContact CB-CD 4.14Å; M895-K982 HydrophobicContact SD-CD 4.18Å; L916-K982 HydrophobicContact CD2-CB 3.71Å; E978-K982 HydrophobicContact CG-CD 4.21Å; E978-K982 HydrophobicContact CG-CG 4.36Å; E978-K982 WeakPolarHBondContact O-CG 3.4Å; E978-K982 PolarHBondContact O-N 2.6Å; E978-K982 VanDerWaalsContact OE1-CE 3.24Å; E978-K982 WeakPolarHBondContact OE1-CE 3.45Å; E978-K982 IonicContact OE1-NZ 3.41Å; L979-K982 PolarHBondContact O-N 3.15Å; K982-R985 PolarHBondContact O-N 3.35Å; K982-A986 WeakPolarHBondContact O-CB 3.31Å; K982-A986 PolarHBondContact O-N 3.41Å
983	I	88.2	Confident	86.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-48	172.4	-68.8	170.3	0	0	0	110.2	L916 L979 L980 R985 A986 V987 L995	L916-I983 HydrophobicContact CD1-CG1 3.99Å; L916-I983 HydrophobicContact CD2-CG1 3.87Å; L979-I983 HydrophobicContact CD1-CD1 3.95Å; L979-I983 HydrophobicContact CD1-CG1 4.33Å; L979-I983 HydrophobicContact CG-CD1 3.99Å; L979-I983 VanDerWaalsContact O-CG1 3.29Å; L979-I983 WeakPolarHBondContact O-CG1 3.18Å; L979-I983 PolarHBondContact O-N 3.27Å; L980-I983 HydrophobicContact CD2-CD1 4.32Å; L980-I983 PolarHBondContact O-N 2.89Å; I983-R985 VanDerWaalsContact C-N 3.34Å; I983-R985 PolarHBondContact O-N 2.84Å; I983-A986 PolarHBondContact O-N 2.98Å; I983-V987 HydrophobicContact CG2-CG2 4.28Å; I983-V987 WeakPolarHBondContact O-CG2 3.5Å; I983-V987 PolarHBondContact O-N 3.39Å; I983-L995 HydrophobicContact CG2-CD2 3.8Å
984	Y	89.8	Confident	86.6	Confident	27 Å²	27	48.9 Å²	48.9	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-47.9	177.8	175.8	-89.7	0	0	0	111.7	C849 L853 L980 T981 L988 Q994 L995 V997	C849-Y984 VanDerWaalsContact SG-CD1 3.55Å; L853-Y984 HydrophobicContact CD1-CD1 3.96Å; L853-Y984 HydrophobicContact CD1-CD2 4.2Å; L853-Y984 HydrophobicContact CD1-CG 3.72Å; L853-Y984 HydrophobicContact CD2-CD2 3.92Å; L853-Y984 HydrophobicContact CD2-CE2 3.95Å; L853-Y984 HydrophobicContact CD2-CG 4.24Å; L980-Y984 WeakPolarHBondContact O-CB 3.14Å; L980-Y984 PolarHBondContact O-N 2.99Å; T981-Y984 PolarHBondContact O-N 3.45Å; Y984-L988 HydrophobicContact CE1-CD2 4.21Å; Y984-L988 VanDerWaalsContact O-CB 3.31Å; Y984-L988 WeakPolarHBondContact O-CB 3.35Å; Y984-L988 PolarHBondContact O-N 2.82Å; Y984-Q994 HydrophobicContact CE2-CB 4.44Å; Y984-L995 HydrophobicContact CD2-CB 3.83Å; Y984-L995 WeakPolarHBondContact CD2-O 3.31Å; Y984-L995 HydrophobicContact CE2-CB 4.4Å; Y984-L995 VanDerWaalsContact CE2-O 3.26Å; Y984-L995 WeakPolarHBondContact CE2-O 3.49Å; Y984-V997 HydrophobicContact CD2-CG2 4.05Å
985	R	89.1	Confident	86.7	Confident	50 Å²	50	41.8 Å²	41.8	19%	0.189	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-44	177.2	-71.8	-169.2	65.9	-175.1	-2.9	112.4	E842 C849 T981 K982 I983 V987 L988 D989	E842-R985 IonicContact OE1-CZ 2.73Å; E842-R985 IonicContact OE1-NH1 3.43Å; E842-R985 PolarHBondContact OE1-NH1 2.95Å; E842-R985 IonicContact OE1-NH2 3.51Å; E842-R985 PolarHBondContact OE1-NH2 3.31Å; C849-R985 HydrophobicContact CB-CG 4.38Å; T981-R985 WeakPolarHBondContact O-CG 3.4Å; T981-R985 PolarHBondContact O-N 3.42Å; K982-R985 PolarHBondContact O-N 3.35Å; I983-R985 VanDerWaalsContact C-N 3.34Å; I983-R985 PolarHBondContact O-N 2.84Å; R985-V987 PolarHBondContact O-N 3.07Å; R985-L988 PolarHBondContact O-N 3.41Å; R985-D989 WeakPolarHBondContact O-CB 3.47Å; R985-D989 VanDerWaalsContact O-CG 3.27Å; R985-D989 PolarHBondContact O-N 3.43Å
986	A	86.7	Confident	86.5	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-40.4	179.8	0	0	0	0	0	112	L894 L916 L937 K982 I983 A990	L894-A986 HydrophobicContact CD1-CB 3.97Å; L916-A986 HydrophobicContact CD1-CB 4.35Å; L916-A986 HydrophobicContact CD2-CB 4.48Å; L937-A986 HydrophobicContact CD1-CB 3.75Å; K982-A986 WeakPolarHBondContact O-CB 3.31Å; K982-A986 PolarHBondContact O-N 3.41Å; I983-A986 PolarHBondContact O-N 2.98Å; A986-A990 WeakPolarHBondContact O-CB 3.28Å; A986-A990 PolarHBondContact O-N 2.84Å
987	V	85.3	Confident	86.4	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-46.1	173.2	174.4	0	0	0	0	110.3	L937 V940 I983 R985 D989 A990 T991 L995	L937-V987 HydrophobicContact CB-CG2 4.1Å; L937-V987 HydrophobicContact CD2-CG2 3.78Å; L937-V987 HydrophobicContact CG-CG2 4.4Å; V940-V987 HydrophobicContact CB-CG2 4.49Å; I983-V987 HydrophobicContact CG2-CG2 4.28Å; I983-V987 WeakPolarHBondContact O-CG2 3.5Å; I983-V987 PolarHBondContact O-N 3.39Å; R985-V987 PolarHBondContact O-N 3.07Å; V987-D989 PolarHBondContact O-N 3.45Å; V987-A990 PolarHBondContact O-N 2.79Å; V987-T991 HydrophobicContact CG1-CG2 4.48Å; V987-T991 WeakPolarHBondContact O-CB 3.17Å; V987-T991 PolarHBondContact O-N 3.24Å; V987-T991 PolarHBondContact O-OG1 2.76Å; V987-L995 HydrophobicContact CB-CB 4.27Å; V987-L995 HydrophobicContact CG1-CB 4.12Å; V987-L995 HydrophobicContact CG1-CD1 4.45Å; V987-L995 HydrophobicContact CG2-CD2 4.17Å
988	L	86.1	Confident	86.2	Confident	48 Å²	48	45.8 Å²	45.8	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-44	178.9	-175.7	63.9	0	0	0	111.7	Y984 R985 Q992 R993 Q994	Y984-L988 HydrophobicContact CE1-CD2 4.21Å; Y984-L988 VanDerWaalsContact O-CB 3.31Å; Y984-L988 WeakPolarHBondContact O-CB 3.35Å; Y984-L988 PolarHBondContact O-N 2.82Å; R985-L988 PolarHBondContact O-N 3.41Å; L988-Q992 WeakPolarHBondContact O-CA 3.24Å; L988-Q992 PolarHBondContact O-N 3.16Å; L988-Q992 PolarHBondContact O-NE2 2.86Å; L988-R993 WeakPolarHBondContact CA-O 3.4Å; L988-Q994 HydrophobicContact CD1-CG 3.89Å
989	D	85.6	Confident	86.1	Confident	103 Å²	103	47.4 Å²	47.4	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-68.6	-42.9	179.5	-71.1	-16.8	0	0	0	111.5	R985 V987 Q992	R985-D989 WeakPolarHBondContact O-CB 3.47Å; R985-D989 VanDerWaalsContact O-CG 3.27Å; R985-D989 PolarHBondContact O-N 3.43Å; V987-D989 PolarHBondContact O-N 3.45Å; D989-Q992 PolarHBondContact O-NE2 3.41Å; D989-Q992 VanDerWaalsContact O-NE2 3.08Å
990	A	82.5	Confident	85.8	Confident	57 Å²	57	48.9 Å²	48.9	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-77.6	-34.2	-175.9	0	0	0	0	0	113.9	K918 L937 A986 V987	K918-A990 WeakPolarHBondContact O-CB 3.17Å; L937-A990 HydrophobicContact CD1-CB 4.3Å; A986-A990 WeakPolarHBondContact O-CB 3.28Å; A986-A990 PolarHBondContact O-N 2.84Å; V987-A990 PolarHBondContact O-N 2.79Å
991	T	81.3	Confident	85.5	Confident	52 Å²	52	52.5 Å²	52.5	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-117.1	-8.4	-171.6	69.9	0	0	0	0	113.6	D938 V987 R993	D938-T991 HydrophobicContact CB-CG2 4.34Å; V987-T991 HydrophobicContact CG1-CG2 4.48Å; V987-T991 WeakPolarHBondContact O-CB 3.17Å; V987-T991 PolarHBondContact O-N 3.24Å; V987-T991 PolarHBondContact O-OG1 2.76Å; T991-R993 PolarHBondContact O-N 3.2Å; T991-R993 VanDerWaalsContact O-N 3.08Å; T991-R993 WeakPolarHBondContact OG1-CB 3.32Å; T991-R993 PolarHBondContact OG1-N 3.15Å
992	Q	80.3	Confident	84.9	Confident	154 Å²	154	59.1 Å²	59.1	72%	0.72	31%	0.305	S	S	*	.	S	Bend	trans	58.5	13.4	-172	-57.4	-62.8	-52.8	0	0	114.1	L988 D989	L988-Q992 WeakPolarHBondContact O-CA 3.24Å; L988-Q992 PolarHBondContact O-N 3.16Å; L988-Q992 PolarHBondContact O-NE2 2.86Å; D989-Q992 PolarHBondContact O-NE2 3.41Å; D989-Q992 VanDerWaalsContact O-NE2 3.08Å
993	R	82.7	Confident	84.5	Confident	128 Å²	128	58.5 Å²	58.5	48%	0.483	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-103.1	134.5	177.8	-179.5	-176.4	169.9	-175	-1.7	110.8	L988 T991 L995	L988-R993 WeakPolarHBondContact CA-O 3.4Å; T991-R993 PolarHBondContact O-N 3.2Å; T991-R993 VanDerWaalsContact O-N 3.08Å; T991-R993 WeakPolarHBondContact OG1-CB 3.32Å; T991-R993 PolarHBondContact OG1-N 3.15Å; R993-L995 PolarHBondContact O-N 3.45Å
994	Q	81.3	Confident	84.1	Confident	143 Å²	143	61.1 Å²	61.1	67%	0.668	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-72	120	169.6	-68.6	-176	-6.5	0	0	110.4	Y984 L988 A996	Y984-Q994 HydrophobicContact CE2-CB 4.44Å; L988-Q994 HydrophobicContact CD1-CG 3.89Å; Q994-A996 PolarHBondContact O-N 2.77Å
995	L	85.3	Confident	83.5	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.7	126.2	177.6	-179.2	69.6	0	0	0	110.1	V940 V943 I983 Y984 V987 R993 V997	V940-L995 HydrophobicContact CB-CD1 4.42Å; V940-L995 HydrophobicContact CG1-CD1 3.77Å; V940-L995 HydrophobicContact CG1-CD2 4.4Å; V940-L995 WeakPolarHBondContact O-CD1 3.39Å; V943-L995 HydrophobicContact CG2-CD2 3.96Å; I983-L995 HydrophobicContact CG2-CD2 3.8Å; Y984-L995 HydrophobicContact CD2-CB 3.83Å; Y984-L995 WeakPolarHBondContact CD2-O 3.31Å; Y984-L995 HydrophobicContact CE2-CB 4.4Å; Y984-L995 VanDerWaalsContact CE2-O 3.26Å; Y984-L995 WeakPolarHBondContact CE2-O 3.49Å; V987-L995 HydrophobicContact CB-CB 4.27Å; V987-L995 HydrophobicContact CG1-CB 4.12Å; V987-L995 HydrophobicContact CG1-CD1 4.45Å; V987-L995 HydrophobicContact CG2-CD2 4.17Å; R993-L995 PolarHBondContact O-N 3.45Å; L995-V997 PolarHBondContact O-N 3.27Å; L995-V997 VanDerWaalsContact O-N 3.15Å
996	A	85.3	Confident	82.8	Confident	54 Å²	54	63.4 Å²	63.4	45%	0.446	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	111.9	177.9	0	0	0	0	0	110.5	G942 V943 Q994	G942-A996 CarbonylContact C-O 3.54Å; G942-A996 VanDerWaalsContact CA-O 3.28Å; G942-A996 WeakPolarHBondContact CA-O 3.48Å; V943-A996 PolarHBondContact N-O 3.11Å; Q994-A996 PolarHBondContact O-N 2.77Å
997	V	87.3	Confident	82	Confident	31 Å²	31	64.9 Å²	64.9	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.5	175.1	-178.5	0	0	0	0	109.3	L853 F854 V943 Y984 L995	L853-V997 HydrophobicContact CD2-CB 4.26Å; L853-V997 HydrophobicContact CD2-CG2 4.2Å; F854-V997 HydrophobicContact CE1-CG1 3.82Å; F854-V997 HydrophobicContact CZ-CG1 4.09Å; V943-V997 HydrophobicContact CB-CG2 4.5Å; V943-V997 CarbonylContact O-C 3.56Å; V943-V997 WeakPolarHBondContact O-CA 3.28Å; Y984-V997 HydrophobicContact CD2-CG2 4.05Å; L995-V997 PolarHBondContact O-N 3.27Å; L995-V997 VanDerWaalsContact O-N 3.15Å
998	T	85.8	Confident	81.2	Confident	73 Å²	73	71.6 Å²	71.6	45%	0.448	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.1	-177	-51	0	0	0	0	110.2	V943 S944 V945 T1000	V943-T998 PolarHBondContact O-N 3.2Å; S944-T998 CarbonylContact C-O 3.59Å; S944-T998 VanDerWaalsContact CA-O 3.28Å; S944-T998 WeakPolarHBondContact CA-O 3.4Å; V945-T998 PolarHBondContact N-O 2.89Å; T998-T1000 HydrophobicContact CG2-CG2 4.13Å
999	V	86.3	Confident	79.9	Confident	37 Å²	37	78.4 Å²	78.4	22%	0.224	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.5	174.9	-169.4	0	0	0	0	109	K857 V945	K857-V999 HydrophobicContact CB-CB 4.17Å; K857-V999 HydrophobicContact CB-CG1 4.38Å; K857-V999 HydrophobicContact CB-CG2 3.88Å; K857-V999 HydrophobicContact CD-CG2 4.5Å; K857-V999 VanDerWaalsContact O-CG1 3.27Å; K857-V999 WeakPolarHBondContact O-CG1 3.26Å; V945-V999 HydrophobicContact CG1-CB 4.38Å; V945-V999 HydrophobicContact CG1-CG1 4.33Å; V945-V999 HydrophobicContact CG1-CG2 3.78Å; V945-V999 CarbonylContact O-C 3.58Å; V945-V999 VanDerWaalsContact O-CA 3.25Å; V945-V999 WeakPolarHBondContact O-CA 3.41Å
1000	T	84.1	Confident	78.8	Confident	32 Å²	32	77.9 Å²	77.9	20%	0.196	39%	0.392	C	S	.	.			trans	-157.7	149.7	-176.4	-175.3	0	0	0	0	112	V945 T998 K1002 F1003	V945-T1000 PolarHBondContact O-N 3.49Å; T998-T1000 HydrophobicContact CG2-CG2 4.13Å; T1000-K1002 VanDerWaalsContact C-N 3.31Å; T1000-K1002 WeakPolarHBondContact CG2-O 3.46Å; T1000-K1002 PolarHBondContact OG1-N 2.88Å; T1000-K1002 PolarHBondContact OG1-O 3.44Å; T1000-F1003 HydrophobicContact CG2-CB 3.84Å; T1000-F1003 HydrophobicContact CG2-CD1 4.22Å
1001	E	82.8	Confident	78.3	Confident	77 Å²	77	78.3 Å²	78.3	36%	0.36	39%	0.392	S	S	.	.	S	Bend	trans	-83	-13.4	174.9	-52.3	72.4	-159	0	0	111.7	S947 F948 K1015 V1016	S947-E1001 VanDerWaalsContact CB-OE1 3.27Å; S947-E1001 WeakPolarHBondContact CB-OE1 3.43Å; S947-E1001 PolarHBondContact OG-OE1 3.28Å; F948-E1001 HydrophobicContact CE2-CB 4.46Å; F948-E1001 HydrophobicContact CE2-CG 3.85Å; F948-E1001 HydrophobicContact CZ-CG 3.87Å; E1001-K1015 WeakPolarHBondContact O-CA 3.34Å; E1001-V1016 PolarHBondContact O-N 2.71Å
1002	K	78.2	Confident	78	Confident	139 Å²	139	76.8 Å²	76.8	60%	0.604	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	106.7	178.9	-68.3	-178.9	-171.3	171.3	0	110.1	T1000 V1014 K1015	T1000-K1002 VanDerWaalsContact C-N 3.31Å; T1000-K1002 WeakPolarHBondContact CG2-O 3.46Å; T1000-K1002 PolarHBondContact OG1-N 2.88Å; T1000-K1002 PolarHBondContact OG1-O 3.44Å; K1002-V1014 WeakPolarHBondContact CA-O 3.25Å; K1002-K1015 HydrophobicContact CG-CB 4.34Å; K1002-K1015 HydrophobicContact CG-CG 4.01Å
1003	F	81.4	Confident	77.9	Confident	11 Å²	11	71.9 Å²	71.9	5%	0.048	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.6	174	54.8	-89.8	0	0	0	110.1	S954 L970 T1000 M1005 V1014 V1016	S954-F1003 VanDerWaalsContact CB-CE2 3.44Å; L970-F1003 HydrophobicContact CD1-CE2 4.03Å; L970-F1003 HydrophobicContact CD1-CZ 3.86Å; T1000-F1003 HydrophobicContact CG2-CB 3.84Å; T1000-F1003 HydrophobicContact CG2-CD1 4.22Å; F1003-M1005 HydrophobicContact CD2-CG 3.97Å; F1003-M1005 HydrophobicContact CE2-CG 3.86Å; F1003-M1005 HydrophobicContact CE2-SD 4.05Å; F1003-V1014 HydrophobicContact CD2-CB 4.1Å; F1003-V1014 HydrophobicContact CD2-CG2 4.37Å; F1003-V1014 HydrophobicContact CE1-CB 4.43Å; F1003-V1014 HydrophobicContact CE1-CG1 4.31Å; F1003-V1014 HydrophobicContact CE2-CB 3.7Å; F1003-V1014 HydrophobicContact CE2-CG1 4.04Å; F1003-V1014 HydrophobicContact CE2-CG2 3.88Å; F1003-V1014 HydrophobicContact CZ-CB 3.89Å; F1003-V1014 HydrophobicContact CZ-CG1 3.75Å; F1003-V1014 HydrophobicContact CZ-CG2 4.44Å; F1003-V1014 PolarHBondContact N-O 3.47Å; F1003-V1014 VanDerWaalsContact N-O 3.17Å; F1003-V1014 PolarHBondContact O-N 3.28Å; F1003-V1016 HydrophobicContact CE1-CG2 4.17Å
1004	S	78.3	Confident	77.7	Confident	57 Å²	57	65.8 Å²	65.8	40%	0.399	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.7	178.4	-172.9	0	0	0	0	110.2	H956 S1011	H956-S1004 PolarHBondContact CE1-O 3.16Å; H956-S1004 VanDerWaalsContact CE1-O 3.23Å; S1004-S1011 PolarHBondContact OG-OG 3.45Å
1005	M	77.8	Confident	77.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.7	175.7	-70.6	-169.4	72	0	0	110.4	D968 F969 L970 F1003 F1007 S1011 V1012 V1014	D968-M1005 HydrophobicContact CB-CB 4.33Å; D968-M1005 HydrophobicContact CB-CE 3.58Å; F969-M1005 VanDerWaalsContact C-CE 3.5Å; L970-M1005 HydrophobicContact CB-CE 3.78Å; L970-M1005 HydrophobicContact CB-SD 3.79Å; L970-M1005 HydrophobicContact CD1-SD 4Å; L970-M1005 HydrophobicContact CD2-SD 4.31Å; L970-M1005 HydrophobicContact CG-SD 4.26Å; F1003-M1005 HydrophobicContact CD2-CG 3.97Å; F1003-M1005 HydrophobicContact CE2-CG 3.86Å; F1003-M1005 HydrophobicContact CE2-SD 4.05Å; M1005-F1007 HydrophobicContact CB-CD2 4.42Å; M1005-F1007 HydrophobicContact CB-CE1 4.39Å; M1005-F1007 HydrophobicContact CB-CE2 3.87Å; M1005-F1007 HydrophobicContact CB-CZ 3.86Å; M1005-F1007 HydrophobicContact CE-CE1 3.56Å; M1005-F1007 HydrophobicContact CE-CZ 3.51Å; M1005-F1007 HydrophobicContact CG-CZ 4.41Å; M1005-F1007 HydrophobicContact SD-CE1 4.31Å; M1005-F1007 HydrophobicContact SD-CE2 4.34Å; M1005-F1007 HydrophobicContact SD-CZ 3.63Å; M1005-S1011 WeakPolarHBondContact O-CA 3.48Å; M1005-V1012 PolarHBondContact N-O 2.73Å; M1005-V1012 PolarHBondContact O-N 3.46Å; M1005-V1014 HydrophobicContact CB-CG2 4.45Å; M1005-V1014 HydrophobicContact CG-CG2 3.84Å; M1005-V1014 HydrophobicContact SD-CG2 3.78Å
1006	R	73.8	Confident	77.5	Confident	124 Å²	124	63 Å²	63	47%	0.468	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	111.9	171.7	-78.3	-171.2	-92.6	170.6	-5.3	110.2	G967 D968	G967-R1006 CarbonylContact C-O 3.47Å; G967-R1006 WeakPolarHBondContact CA-O 3.3Å; D968-R1006 PolarHBondContact N-O 3.12Å; D968-R1006 PolarHBondContact OD2-N 3.28Å
1007	F	71.1	Confident	77.2	Confident	36 Å²	36	63.1 Å²	63.1	16%	0.158	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	102.3	170.3	-61.5	-57.4	0	0	0	109.5	R904 D968 M1005 E1009 N1010 V1012	R904-F1007 HydrophobicContact CG-CD1 4.1Å; R904-F1007 HydrophobicContact CG-CE1 3.87Å; R904-F1007 HydrophobicContact CG-CZ 4.35Å; D968-F1007 WeakPolarHBondContact O-CE1 3.35Å; M1005-F1007 HydrophobicContact CB-CD2 4.42Å; M1005-F1007 HydrophobicContact CB-CE1 4.39Å; M1005-F1007 HydrophobicContact CB-CE2 3.87Å; M1005-F1007 HydrophobicContact CB-CZ 3.86Å; M1005-F1007 HydrophobicContact CE-CE1 3.56Å; M1005-F1007 HydrophobicContact CE-CZ 3.51Å; M1005-F1007 HydrophobicContact CG-CZ 4.41Å; M1005-F1007 HydrophobicContact SD-CE1 4.31Å; M1005-F1007 HydrophobicContact SD-CE2 4.34Å; M1005-F1007 HydrophobicContact SD-CZ 3.63Å; F1007-E1009 PolarHBondContact O-N 3.44Å; F1007-N1010 PolarHBondContact N-O 3.48Å; F1007-N1010 PolarHBondContact O-N 2.83Å; F1007-N1010 VanDerWaalsContact O-N 3.1Å; F1007-V1012 HydrophobicContact CD2-CB 3.75Å; F1007-V1012 HydrophobicContact CD2-CG2 3.58Å; F1007-V1012 HydrophobicContact CE2-CB 3.79Å; F1007-V1012 HydrophobicContact CE2-CG1 4.19Å; F1007-V1012 HydrophobicContact CE2-CG2 4.05Å
1008	K	68	Low	76.5	Confident	143 Å²	143	66.7 Å²	66.7	62%	0.622	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-118.7	-167.7	-61.6	-176	169.2	-166.5	0	109.9
1009	E	58.5	Low	75.6	Confident	190 Å²	190	63.7 Å²	63.7	89%	0.888	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.7	-178.9	-66	171.7	-172.6	0	0	113.7	F1007	F1007-E1009 PolarHBondContact O-N 3.44Å
1010	N	62.4	Low	74.3	Confident	92 Å²	92	67.4 Å²	67.4	49%	0.492	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.2	-177.9	-76.1	-49.8	0	0	0	111.6	F1007	F1007-N1010 PolarHBondContact N-O 3.48Å; F1007-N1010 PolarHBondContact O-N 2.83Å; F1007-N1010 VanDerWaalsContact O-N 3.1Å
1011	S	71.8	Confident	72.7	Confident	67 Å²	67	72.2 Å²	72.2	47%	0.469	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.9	171.1	-179.9	0	0	0	0	109.5	S1004 M1005	S1004-S1011 PolarHBondContact OG-OG 3.45Å; M1005-S1011 WeakPolarHBondContact O-CA 3.48Å
1012	V	76.2	Confident	71	Confident	19 Å²	19	72.4 Å²	72.4	12%	0.115	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.8	177.1	175	0	0	0	0	109	M1005 F1007 V1014 R1036 L1038	M1005-V1012 PolarHBondContact N-O 2.73Å; M1005-V1012 PolarHBondContact O-N 3.46Å; F1007-V1012 HydrophobicContact CD2-CB 3.75Å; F1007-V1012 HydrophobicContact CD2-CG2 3.58Å; F1007-V1012 HydrophobicContact CE2-CB 3.79Å; F1007-V1012 HydrophobicContact CE2-CG1 4.19Å; F1007-V1012 HydrophobicContact CE2-CG2 4.05Å; V1012-V1014 PolarHBondContact O-N 2.79Å; V1012-R1036 WeakPolarHBondContact CA-O 3.13Å; V1012-L1038 HydrophobicContact CG1-CB 4.09Å
1013	A	77.4	Confident	69.4	Low	51 Å²	51	67.4 Å²	67.4	42%	0.421	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.9	172.8	0	0	0	0	0	109.3	R1036 C1037 L1038	A1013-R1036 PolarHBondContact N-O 2.79Å; A1013-C1037 WeakPolarHBondContact O-CA 3.29Å; A1013-L1038 PolarHBondContact O-N 2.83Å
1014	V	79.1	Confident	67.5	Low	1 Å²	1	72.4 Å²	72.4	1%	0.006	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.1	172.7	-175.2	0	0	0	0	107.7	K1002 F1003 M1005 V1012 V1016 L1038 V1040	K1002-V1014 WeakPolarHBondContact CA-O 3.25Å; F1003-V1014 HydrophobicContact CD2-CB 4.1Å; F1003-V1014 HydrophobicContact CD2-CG2 4.37Å; F1003-V1014 HydrophobicContact CE1-CB 4.43Å; F1003-V1014 HydrophobicContact CE1-CG1 4.31Å; F1003-V1014 HydrophobicContact CE2-CB 3.7Å; F1003-V1014 HydrophobicContact CE2-CG1 4.04Å; F1003-V1014 HydrophobicContact CE2-CG2 3.88Å; F1003-V1014 HydrophobicContact CZ-CB 3.89Å; F1003-V1014 HydrophobicContact CZ-CG1 3.75Å; F1003-V1014 HydrophobicContact CZ-CG2 4.44Å; F1003-V1014 PolarHBondContact N-O 3.47Å; F1003-V1014 VanDerWaalsContact N-O 3.17Å; F1003-V1014 PolarHBondContact O-N 3.28Å; M1005-V1014 HydrophobicContact CB-CG2 4.45Å; M1005-V1014 HydrophobicContact CG-CG2 3.84Å; M1005-V1014 HydrophobicContact SD-CG2 3.78Å; V1012-V1014 PolarHBondContact O-N 2.79Å; V1014-V1016 HydrophobicContact CG1-CG2 4.2Å; V1014-L1038 CarbonylContact C-O 3.6Å; V1014-L1038 VanDerWaalsContact CA-O 3.32Å; V1014-L1038 WeakPolarHBondContact CA-O 3.2Å; V1014-L1038 HydrophobicContact CG2-CB 4.33Å; V1014-L1038 HydrophobicContact CG2-CD2 4.43Å; V1014-V1040 HydrophobicContact CG1-CG2 3.86Å
1015	K	80.7	Confident	66.1	Low	84 Å²	84	77.7 Å²	77.7	37%	0.365	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.6	173.7	-176.4	-179.9	178.8	-170.8	0	108.8	E1001 K1002 I1017 L1038 E1039 V1040	E1001-K1015 WeakPolarHBondContact O-CA 3.34Å; K1002-K1015 HydrophobicContact CG-CB 4.34Å; K1002-K1015 HydrophobicContact CG-CG 4.01Å; K1015-I1017 HydrophobicContact CG-CG1 4.33Å; K1015-L1038 PolarHBondContact N-O 3.29Å; K1015-E1039 WeakPolarHBondContact O-CA 3.49Å; K1015-V1040 PolarHBondContact O-N 3.36Å
1016	V	80.3	Confident	64.7	Low	5 Å²	5	80.6 Å²	80.6	3%	0.03	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.9	179.7	-172.9	0	0	0	0	109.7	T946 F948 L952 E1001 F1003 V1014 V1040 V1042	T946-V1016 HydrophobicContact CG2-CB 3.99Å; T946-V1016 HydrophobicContact CG2-CG1 3.85Å; T946-V1016 HydrophobicContact CG2-CG2 3.66Å; F948-V1016 HydrophobicContact CD2-CG1 3.97Å; F948-V1016 HydrophobicContact CE2-CB 4.37Å; F948-V1016 HydrophobicContact CE2-CG1 3.98Å; L952-V1016 HydrophobicContact CD2-CG2 4Å; E1001-V1016 PolarHBondContact O-N 2.71Å; F1003-V1016 HydrophobicContact CE1-CG2 4.17Å; V1014-V1016 HydrophobicContact CG1-CG2 4.2Å; V1016-V1040 VanDerWaalsContact CA-O 3.29Å; V1016-V1040 WeakPolarHBondContact CA-O 3.38Å; V1016-V1040 WeakPolarHBondContact CG1-O 3.35Å; V1016-V1040 HydrophobicContact CG2-CB 4.34Å; V1016-V1042 HydrophobicContact CG1-CB 4.33Å; V1016-V1042 HydrophobicContact CG1-CG1 3.85Å; V1016-V1042 HydrophobicContact CG1-CG2 3.52Å
1017	I	79.3	Confident	63.9	Low	57 Å²	57	82 Å²	82	29%	0.292	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.1	-178.8	-48.8	-178.7	0	0	0	109	K1015 E1039 V1040 T1041 V1042	K1015-I1017 HydrophobicContact CG-CG1 4.33Å; I1017-E1039 HydrophobicContact CD1-CG 3.61Å; I1017-E1039 VanDerWaalsContact CD1-OE1 3.29Å; I1017-E1039 WeakPolarHBondContact CD1-OE1 3.29Å; I1017-E1039 HydrophobicContact CG1-CG 4.11Å; I1017-V1040 PolarHBondContact N-O 3.42Å; I1017-T1041 VanDerWaalsContact O-CA 3.31Å; I1017-T1041 WeakPolarHBondContact O-CA 3.2Å; I1017-V1042 PolarHBondContact O-N 3.48Å
1018	Q	73.3	Confident	63.6	Low	105 Å²	105	82.1 Å²	82.1	49%	0.491	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.8	177	-165.6	170.2	12.4	0	0	111.2	F948 V1042	F948-Q1018 HydrophobicContact CD1-CB 4.2Å; F948-Q1018 HydrophobicContact CD1-CG 4.45Å; F948-Q1018 HydrophobicContact CE1-CB 3.96Å; F948-Q1018 HydrophobicContact CZ-CB 4.27Å; Q1018-V1042 CarbonylContact C-O 3.46Å; Q1018-V1042 VanDerWaalsContact CA-O 3.31Å; Q1018-V1042 WeakPolarHBondContact CA-O 3.24Å
1019	G	66	Low	63.7	Low	10 Å²	10	82 Å²	82	10%	0.103	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-93.3	168.5	177.3	0	0	0	0	0	113.6	V1042	G1019-V1042 PolarHBondContact N-O 3.42Å
1020	P	60.1	Low	64.2	Low	116 Å²	116	74 Å²	74	75%	0.753	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-65.5	136.4	-179.3	24.7	-31.8	0	0	0	112.8	G1022 Q1043	P1020-G1022 PolarHBondContact O-N 2.75Å; P1020-Q1043 PolarHBondContact O-NE2 2.82Å
1021	V	51.3	Low	64.5	Low	133 Å²	133	76.3 Å²	76.3	81%	0.806	44%	0.441	S	S	*	.	S	Bend	trans	-76.8	103.2	-174.7	-176.5	0	0	0	0	109.8
1022	G	47.1	Very low	64.2	Low	80 Å²	80	79.1 Å²	79.1	83%	0.825	45%	0.445	S	S	*	.			trans	173.1	17	179.3	0	0	0	0	0	118.5	P1020	P1020-G1022 PolarHBondContact O-N 2.75Å
1023	G	44.1	Very low	63.6	Low	35 Å²	35	83.3 Å²	83.3	36%	0.361	46%	0.462	S	S	.	.	S	Bend	trans	-144.2	155.8	178.8	0	0	0	0	0	112.9	N1025 Q1043	G1023-N1025 PolarHBondContact O-N 2.87Å; G1023-Q1043 PolarHBondContact O-OE1 2.81Å
1024	D	41.8	Very low	62.8	Low	116 Å²	116	83.6 Å²	83.6	62%	0.62	47%	0.47	S	S	*	.			trans	-25.4	110.2	-177.3	-160.7	12.2	0	0	0	114.6	S1026 K1027	D1024-S1026 PolarHBondContact O-N 3.46Å; D1024-K1027 PolarHBondContact O-N 2.81Å
1025	N	47.6	Very low	62	Low	167 Å²	167	88.1 Å²	88.1	89%	0.893	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	16.3	-163.1	-83.8	-20.7	0	0	0	117.3	G1023	G1023-N1025 PolarHBondContact O-N 2.87Å
1026	S	49.6	Very low	61.3	Low	62 Å²	62	92 Å²	92	43%	0.434	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	9.1	-172.4	71	0	0	0	0	116.2	D1024	D1024-S1026 PolarHBondContact O-N 3.46Å
1027	K	55.6	Low	61	Low	152 Å²	152	93.7 Å²	93.7	66%	0.661	53%	0.525	S	S	*	.			trans	-102.3	94.4	-179.7	-83.2	177.6	179	164.9	0	113	D1024	D1024-K1027 PolarHBondContact O-N 2.81Å
1028	L	66.2	Low	60.8	Low	39 Å²	39	92 Å²	92	20%	0.204	52%	0.516	C	S	.	.			trans	-67.4	133	162.5	-96.4	128	0	0	0	111	L952 V972 V1040 V1042	L952-L1028 HydrophobicContact CD1-CD2 4.15Å; L952-L1028 HydrophobicContact CD2-CD2 4.38Å; V972-L1028 HydrophobicContact CB-CD1 4.16Å; V972-L1028 HydrophobicContact CG1-CD1 3.59Å; V972-L1028 HydrophobicContact CG2-CD1 3.48Å; V972-L1028 VanDerWaalsContact CG2-CD1 3.48Å; L1028-V1040 HydrophobicContact CD2-CG1 3.25Å; L1028-V1042 HydrophobicContact CD2-CG1 3.57Å; L1028-V1042 HydrophobicContact CG-CG1 4.22Å
1029	H	68.8	Low	61.1	Low	140 Å²	140	88.4 Å²	88.4	65%	0.648	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	111	174.4	-136.4	60.8	0	0	0	110.4	T1041	H1029-T1041 PolarHBondContact N-O 3.47Å; H1029-T1041 PolarHBondContact O-N 3.04Å
1030	C	68.9	Low	61.6	Low	24 Å²	24	88 Å²	88	16%	0.162	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.2	179	-63.6	0	0	0	0	109.3	G907 L1038	G907-C1030 WeakPolarHBondContact O-CB 3.31Å; C1030-L1038 HydrophobicContact CB-CD1 4.47Å
1031	K	69	Low	62.4	Low	139 Å²	139	84.8 Å²	84.8	60%	0.604	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.7	175.7	-168.6	174.7	-177.7	176.2	0	109.5	K1033 E1039	K1031-K1033 PolarHBondContact O-N 2.78Å; K1031-E1039 PolarHBondContact N-O 2.84Å; K1031-E1039 PolarHBondContact O-N 3.41Å
1032	K	67.1	Low	63.4	Low	126 Å²	126	78.5 Å²	78.5	55%	0.548	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120	176.4	-167.8	176.6	-179	-179.3	0	109.5	G1034 L1038	K1032-G1034 VanDerWaalsContact CE-O 3.25Å; K1032-G1034 WeakPolarHBondContact CE-O 3.42Å; K1032-G1034 VanDerWaalsContact CG-O 3.31Å; K1032-G1034 WeakPolarHBondContact CG-O 3.45Å; K1032-L1038 HydrophobicContact CB-CD1 4.37Å
1033	K	62	Low	64	Low	107 Å²	107	79 Å²	79	47%	0.465	42%	0.416	S	S	.	.			trans	-107.1	93.1	174.4	-81.4	-171.3	-178.4	165.3	0	108.8	K1031 C1037 E1039	K1031-K1033 PolarHBondContact O-N 2.78Å; K1033-C1037 PolarHBondContact N-O 3.17Å; K1033-C1037 WeakPolarHBondContact O-CB 3.48Å; K1033-E1039 VanDerWaalsContact CD-OE2 3.32Å; K1033-E1039 WeakPolarHBondContact CD-OE2 3.33Å; K1033-E1039 VanDerWaalsContact CE-OE2 3.28Å; K1033-E1039 WeakPolarHBondContact CE-OE2 3.49Å; K1033-E1039 IonicContact NZ-OE1 3Å; K1033-E1039 PolarHBondContact NZ-OE1 3.28Å; K1033-E1039 IonicContact NZ-OE2 2.71Å; K1033-E1039 PolarHBondContact NZ-OE2 3.43Å
1034	G	60.7	Low	65	Low	57 Å²	57	81.2 Å²	81.2	59%	0.588	42%	0.419	S	S	*	.	S	Bend	trans	76.1	-171.8	-176.1	0	0	0	0	0	114	K1032	K1032-G1034 VanDerWaalsContact CE-O 3.25Å; K1032-G1034 WeakPolarHBondContact CE-O 3.42Å; K1032-G1034 VanDerWaalsContact CG-O 3.31Å; K1032-G1034 WeakPolarHBondContact CG-O 3.45Å
1035	S	62.8	Low	66.2	Low	96 Å²	96	79.4 Å²	79.4	67%	0.671	41%	0.409	S	S	*	.	S	Bend	trans	-79.2	-21.1	-174.9	56.4	0	0	0	0	114.4
1036	R	66.4	Low	67.2	Low	166 Å²	166	74.5 Å²	74.5	63%	0.626	38%	0.382	S	S	*	.	S	Bend	trans	-120.6	5.6	-170.9	-64.6	-173.4	177.4	173.2	-1.3	115.6	V1012 A1013	V1012-R1036 WeakPolarHBondContact CA-O 3.13Å; A1013-R1036 PolarHBondContact N-O 2.79Å
1037	C	73.2	Confident	68.3	Low	40 Å²	40	75.2 Å²	75.2	27%	0.27	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.3	178.8	-171.3	0	0	0	0	112.1	A1013 K1033	A1013-C1037 WeakPolarHBondContact O-CA 3.29Å; K1033-C1037 PolarHBondContact N-O 3.17Å; K1033-C1037 WeakPolarHBondContact O-CB 3.48Å
1038	L	76.3	Confident	69.1	Low	21 Å²	21	70.4 Å²	70.4	11%	0.11	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.9	174	-172	72.4	0	0	0	108.8	L970 V1012 A1013 V1014 K1015 C1030 K1032 V1040	L970-L1038 HydrophobicContact CD2-CD2 4.03Å; V1012-L1038 HydrophobicContact CG1-CB 4.09Å; A1013-L1038 PolarHBondContact O-N 2.83Å; V1014-L1038 CarbonylContact C-O 3.6Å; V1014-L1038 VanDerWaalsContact CA-O 3.32Å; V1014-L1038 WeakPolarHBondContact CA-O 3.2Å; V1014-L1038 HydrophobicContact CG2-CB 4.33Å; V1014-L1038 HydrophobicContact CG2-CD2 4.43Å; K1015-L1038 PolarHBondContact N-O 3.29Å; C1030-L1038 HydrophobicContact CB-CD1 4.47Å; K1032-L1038 HydrophobicContact CB-CD1 4.37Å; L1038-V1040 HydrophobicContact CD2-CG2 3.91Å; L1038-V1040 HydrophobicContact CG-CG2 3.96Å
1039	E	78.1	Confident	69.2	Low	31 Å²	31	72.5 Å²	72.5	15%	0.145	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.3	174.3	-163.2	166.4	117.6	0	0	108.6	K1015 I1017 K1031 K1033	K1015-E1039 WeakPolarHBondContact O-CA 3.49Å; I1017-E1039 HydrophobicContact CD1-CG 3.61Å; I1017-E1039 VanDerWaalsContact CD1-OE1 3.29Å; I1017-E1039 WeakPolarHBondContact CD1-OE1 3.29Å; I1017-E1039 HydrophobicContact CG1-CG 4.11Å; K1031-E1039 PolarHBondContact N-O 2.84Å; K1031-E1039 PolarHBondContact O-N 3.41Å; K1033-E1039 VanDerWaalsContact CD-OE2 3.32Å; K1033-E1039 WeakPolarHBondContact CD-OE2 3.33Å; K1033-E1039 VanDerWaalsContact CE-OE2 3.28Å; K1033-E1039 WeakPolarHBondContact CE-OE2 3.49Å; K1033-E1039 IonicContact NZ-OE1 3Å; K1033-E1039 PolarHBondContact NZ-OE1 3.28Å; K1033-E1039 IonicContact NZ-OE2 2.71Å; K1033-E1039 PolarHBondContact NZ-OE2 3.43Å
1040	V	77.4	Confident	69.3	Low	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.3	-177.7	-176.8	0	0	0	0	108.3	L952 V1014 K1015 V1016 I1017 L1028 L1038 V1042	L952-V1040 HydrophobicContact CD2-CB 4.3Å; L952-V1040 HydrophobicContact CD2-CG1 3.79Å; V1014-V1040 HydrophobicContact CG1-CG2 3.86Å; K1015-V1040 PolarHBondContact O-N 3.36Å; V1016-V1040 VanDerWaalsContact CA-O 3.29Å; V1016-V1040 WeakPolarHBondContact CA-O 3.38Å; V1016-V1040 WeakPolarHBondContact CG1-O 3.35Å; V1016-V1040 HydrophobicContact CG2-CB 4.34Å; I1017-V1040 PolarHBondContact N-O 3.42Å; L1028-V1040 HydrophobicContact CD2-CG1 3.25Å; L1038-V1040 HydrophobicContact CD2-CG2 3.91Å; L1038-V1040 HydrophobicContact CG-CG2 3.96Å; V1040-V1042 HydrophobicContact CG1-CG1 4.26Å
1041	T	76	Confident	69.3	Low	49 Å²	49	71.1 Å²	71.1	30%	0.301	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.6	174.2	-49	0	0	0	0	109.1	I1017 H1029	I1017-T1041 VanDerWaalsContact O-CA 3.31Å; I1017-T1041 WeakPolarHBondContact O-CA 3.2Å; H1029-T1041 PolarHBondContact N-O 3.47Å; H1029-T1041 PolarHBondContact O-N 3.04Å
1042	V	72.4	Confident	69.3	Low	1 Å²	1	65.4 Å²	65.4	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.9	174.9	-66.1	0	0	0	0	109	F948 D950 V1016 I1017 Q1018 G1019 L1028 V1040	F948-V1042 HydrophobicContact CB-CG2 4.22Å; F948-V1042 HydrophobicContact CD2-CG2 3.7Å; F948-V1042 HydrophobicContact CE2-CG2 4.41Å; F948-V1042 HydrophobicContact CG-CG2 4.18Å; D950-V1042 HydrophobicContact CB-CB 3.77Å; D950-V1042 HydrophobicContact CB-CG1 3.8Å; D950-V1042 HydrophobicContact CB-CG2 4.31Å; V1016-V1042 HydrophobicContact CG1-CB 4.33Å; V1016-V1042 HydrophobicContact CG1-CG1 3.85Å; V1016-V1042 HydrophobicContact CG1-CG2 3.52Å; I1017-V1042 PolarHBondContact O-N 3.48Å; Q1018-V1042 CarbonylContact C-O 3.46Å; Q1018-V1042 VanDerWaalsContact CA-O 3.31Å; Q1018-V1042 WeakPolarHBondContact CA-O 3.24Å; G1019-V1042 PolarHBondContact N-O 3.42Å; L1028-V1042 HydrophobicContact CD2-CG1 3.57Å; L1028-V1042 HydrophobicContact CG-CG1 4.22Å; V1040-V1042 HydrophobicContact CG1-CG1 4.26Å
1043	Q	59.7	Low	69.5	Low	91 Å²	91	59.9 Å²	59.9	43%	0.425	33%	0.328	S	S	.	.			trans	-91.7	0	177.8	-76.4	-174.5	-47.6	0	0	111.4	P1020 G1023	P1020-Q1043 PolarHBondContact O-NE2 2.82Å; G1023-Q1043 PolarHBondContact O-OE1 2.81Å

Retrieved 1,043 of 1,043 residues in 6190 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).