A0A3Q0KLA6_SCHMA Loading...

Bravo_FIGEY domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 880 aa.

						>A0A3Q0KLA6_SCHMA|A0A3Q0KLA6
MVLCFLVLIAFLSQSLSVSYLKFEKINGASEESLIFLNDANPTALLDASANTQRIVYFAQKSPPLGLKLTFACHVNTQAKPLDKVSLCCRSSVEDTKRTCVQPEAEGTFSCLNTEFHFSADETTGANFSISLTQDGLLSNPISGLFSCIVGTDELNVIESNEIEIRDAVFYILQLKGTPSAKIDVVPPISEFPYELRCVDDISIVSRWPYWMHQLDGRYGPYRWEYCLTTGKPNAITCYKRPIQFSPNSIVEFINGSVYLTDAHLVESKSIAIVCKHVGQLGPIRTFAGKVTSTESPVVLEGLSIDKTKNSSSTKLYPLTTLSSSYVINKGTKLQDFMLRALYRQPQGDYEFHWFKDEQMLHNRIATKYSYTLPSLIDESVSGVYSLVVKSNEDISDRLIFTYDVKVVSPPFFKDPRCLKELFYVMEGNNFGTVCEFDGRWNTVVYVGVASFEAPTYQELRMSIDKNLKYSKQQLSQLDIIFHVDGEEINKRITVNITKLKLNQDCELSIRLHSTYGQSRISTSLKVVPKPQLTISPSDENCIKDCDETPYNVSCALNENIVQEWKSKFNIEPSIDWIIQNHWTKAHLESTGLGQFITSYGEHDTTLTVWPVGKPIPFIVKHEESHNKQPKEAGIEEEEEEVIEKEIMNLDTEDEPVQIPSTTTLKQFLAQKIGGSEAQPPKDLILSCWIRLSVTGKEAEFEIPNGLISHHSFARQAQFAQSSATNRLIYDSRWETDTELAKQLTAFRTFTPDIIPATASLAWVAAVIIGVIIFIVVIASSIWLCTRDRGETYMVYDKERAHGNDPIQELKEKETFQTFQRQEEPRIATSRYSLNDGSVRFDSEDDGELDEYAGGPQTHPLLTTTISTHQESQHQIDSNH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	42.3	Very low	213 Å²	213	127.8 Å²	127.8	100%	1.049	69%	0.687	S	S	*	*				0	-36.6	0	-91.3	-178.9	80.4	0	0	113.7	L3 C4	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.42Å; M1-C4 PolarHBondContact O-N 3.05Å
2	V	44.1	Very low	41.6	Very low	119 Å²	119	127.6 Å²	127.6	72%	0.721	68%	0.684	S	S	*	*	H	α-helix	trans	-65	-32.1	179.8	-177	0	0	0	0	113.2	C4 F5	V2-C4 PolarHBondContact O-N 2.91Å; V2-F5 PolarHBondContact O-N 3.04Å
3	L	44.8	Very low	41.3	Very low	145 Å²	145	125 Å²	125	76%	0.759	68%	0.682	S	S	*	*	H	α-helix	trans	-72.1	-22.5	-179.6	-131.9	80.6	0	0	0	114.7	M1	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.42Å
4	C	44.1	Very low	40.8	Very low	93 Å²	93	127.6 Å²	127.6	63%	0.628	69%	0.688	S	S	*	*	H	α-helix	trans	-80.3	-17.6	176.8	-75.2	0	0	0	0	113.1	M1 V2	M1-C4 PolarHBondContact O-N 3.05Å; V2-C4 PolarHBondContact O-N 2.91Å
5	F	43.4	Very low	40.9	Very low	151 Å²	151	124.5 Å²	124.5	66%	0.662	68%	0.679	S	S	*	*	H	α-helix	trans	-81	-29.4	-179.8	-116.1	-89	0	0	0	112.6	V2 I9	V2-F5 PolarHBondContact O-N 3.04Å; F5-I9 WeakPolarHBondContact O-CG1 3.41Å; F5-I9 PolarHBondContact O-N 3.03Å
6	L	47.8	Very low	41.2	Very low	117 Å²	117	122.9 Å²	122.9	61%	0.613	67%	0.669	S	S	*	*	H	α-helix	trans	-75.9	-30	178.1	-82.4	152.9	0	0	0	113	I9 A10	L6-I9 PolarHBondContact O-N 3.28Å; L6-A10 PolarHBondContact O-N 3.37Å
7	V	45.1	Very low	41.7	Very low	88 Å²	88	119.7 Å²	119.7	53%	0.533	66%	0.658	S	S	.	*	H	α-helix	trans	-75.3	-29.2	176.5	-178.5	0	0	0	0	111.8	I9 A10 F11	V7-I9 VanDerWaalsContact C-N 3.33Å; V7-A10 PolarHBondContact O-N 3.46Å; V7-F11 HydrophobicContact CG1-CD2 4.21Å; V7-F11 HydrophobicContact CG1-CE2 4.43Å; V7-F11 PolarHBondContact O-N 3.49Å
8	L	39.7	Very low	42.6	Very low	122 Å²	122	114 Å²	114	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-72.4	-24.5	172.8	-97.1	145.1	0	0	0	113.1	L12	L8-L12 PolarHBondContact O-N 3.21Å
9	I	42	Very low	44.1	Very low	108 Å²	108	110.4 Å²	110.4	55%	0.554	61%	0.611	S	S	*	*	H	α-helix	trans	-81.1	-24.8	173.6	-62.5	169.4	0	0	0	111.5	F5 L6 V7	F5-I9 WeakPolarHBondContact O-CG1 3.41Å; F5-I9 PolarHBondContact O-N 3.03Å; L6-I9 PolarHBondContact O-N 3.28Å; V7-I9 VanDerWaalsContact C-N 3.33Å
10	A	38.6	Very low	46	Very low	78 Å²	78	105.2 Å²	105.2	65%	0.645	58%	0.581	S	S	*	*	H	α-helix	trans	-79.4	-21.4	173.1	0	0	0	0	0	113.9	L6 V7	L6-A10 PolarHBondContact O-N 3.37Å; V7-A10 PolarHBondContact O-N 3.46Å
11	F	34.3	Very low	48.1	Very low	172 Å²	172	100.7 Å²	100.7	75%	0.754	56%	0.557	S	S	*	*	H	α-helix	trans	-93.7	-6.4	173.9	-90.2	-79.7	0	0	0	114.5	V7 S13	V7-F11 HydrophobicContact CG1-CD2 4.21Å; V7-F11 HydrophobicContact CG1-CE2 4.43Å; V7-F11 PolarHBondContact O-N 3.49Å; F11-S13 PolarHBondContact O-N 3.36Å
12	L	34.2	Very low	50.4	Low	125 Å²	125	94 Å²	94	65%	0.654	52%	0.522	S	S	*	.	S	Bend	trans	-72.1	75.4	145.4	-78.6	146.2	0	0	0	105.9	L8 Q14	L8-L12 PolarHBondContact O-N 3.21Å; L12-Q14 PolarHBondContact O-N 2.8Å
13	S	37.7	Very low	52.8	Low	94 Å²	94	89.5 Å²	89.5	66%	0.657	49%	0.492	S	S	*	.			trans	-42.7	105.3	143.1	49.1	0	0	0	0	104.2	F11 S15	F11-S13 PolarHBondContact O-N 3.36Å; S13-S15 PolarHBondContact O-N 3.41Å
14	Q	34.7	Very low	55.1	Low	162 Å²	162	86.9 Å²	86.9	76%	0.757	48%	0.476	S	S	*	.			trans	-52.6	97.2	160.8	-69.6	171.8	0.2	0	0	102.4	L12 L16	L12-Q14 PolarHBondContact O-N 2.8Å; Q14-L16 PolarHBondContact O-N 3.41Å
15	S	41.3	Very low	57.5	Low	80 Å²	80	88.8 Å²	88.8	56%	0.559	47%	0.474	S	S	*	.			trans	-57.7	90.8	155.5	49.1	0	0	0	0	101.6	S13 S17	S13-S15 PolarHBondContact O-N 3.41Å; S15-S17 VanDerWaalsContact C-N 3.3Å; S15-S17 PolarHBondContact O-N 3.08Å
16	L	45.8	Very low	59.9	Low	100 Å²	100	83.6 Å²	83.6	52%	0.524	45%	0.453	S	S	.	.			trans	-52.2	109.5	174.1	-87.1	103	0	0	0	103.2	Q14 V18	Q14-L16 PolarHBondContact O-N 3.41Å; L16-V18 WeakPolarHBondContact O-CG2 2.96Å; L16-V18 PolarHBondContact O-N 3.38Å; L16-V18 VanDerWaalsContact O-N 3.1Å
17	S	49.6	Very low	62	Low	68 Å²	68	85.7 Å²	85.7	48%	0.476	47%	0.465	S	S	.	.			trans	-59	118.5	174.3	49.9	0	0	0	0	107.1	S15 A79	S15-S17 VanDerWaalsContact C-N 3.3Å; S15-S17 PolarHBondContact O-N 3.08Å; S17-A79 WeakPolarHBondContact OG-CB 3.13Å
18	V	58.9	Low	64.2	Low	17 Å²	17	85.2 Å²	85.2	10%	0.103	48%	0.477	C	S	.	.			trans	-99.6	145.7	-171.6	-130.9	0	0	0	0	111.4	L16 Y20 N76 Q78	L16-V18 WeakPolarHBondContact O-CG2 2.96Å; L16-V18 PolarHBondContact O-N 3.38Å; L16-V18 VanDerWaalsContact O-N 3.1Å; V18-Y20 HydrophobicContact CB-CD1 3.76Å; V18-Y20 HydrophobicContact CB-CE1 3.64Å; V18-Y20 HydrophobicContact CG1-CD1 3.44Å; V18-Y20 VanDerWaalsContact CG1-CD1 3.44Å; V18-Y20 HydrophobicContact CG1-CE1 3.16Å; V18-Y20 HydrophobicContact CG2-CE1 4.19Å; V18-Y20 PolarHBondContact O-N 2.77Å; V18-N76 WeakPolarHBondContact CG2-ND2 3.4Å; V18-Q78 PolarHBondContact O-OE1 2.69Å
19	S	69.9	Low	66.9	Low	46 Å²	46	80.2 Å²	80.2	32%	0.322	45%	0.453	S	S	.	.	S	Bend	trans	-83.7	15.9	-176.2	63.7	0	0	0	0	114.1	K526 K568	S19-K526 VanDerWaalsContact O-CE 3.29Å; S19-K526 WeakPolarHBondContact O-CE 3.19Å; S19-K526 PolarHBondContact O-NZ 3.39Å; S19-K568 PolarHBondContact OG-O 3.21Å
20	Y	83.6	Confident	69.3	Low	5 Å²	5	76.5 Å²	76.5	2%	0.02	44%	0.437	C	S	.	.	S	Bend	trans	-134.3	160.4	178.5	74.5	-87.8	0	0	0	111.1	V18 K22 N76 Q78 L422 E698	V18-Y20 HydrophobicContact CB-CD1 3.76Å; V18-Y20 HydrophobicContact CB-CE1 3.64Å; V18-Y20 HydrophobicContact CG1-CD1 3.44Å; V18-Y20 VanDerWaalsContact CG1-CD1 3.44Å; V18-Y20 HydrophobicContact CG1-CE1 3.16Å; V18-Y20 HydrophobicContact CG2-CE1 4.19Å; V18-Y20 PolarHBondContact O-N 2.77Å; Y20-K22 HydrophobicContact CD2-CB 4.14Å; Y20-K22 HydrophobicContact CE2-CB 3.7Å; Y20-K22 HydrophobicContact CE2-CD 4.4Å; Y20-N76 PolarHBondContact O-ND2 3.38Å; Y20-N76 PolarHBondContact O-OD1 3.28Å; Y20-Q78 PolarHBondContact O-NE2 3.47Å; Y20-Q78 VanDerWaalsContact O-NE2 3.07Å; Y20-L422 HydrophobicContact CD1-CB 4.28Å; Y20-L422 HydrophobicContact CD1-CD1 4.03Å; Y20-L422 HydrophobicContact CD1-CD2 3.55Å; Y20-L422 HydrophobicContact CD1-CG 4.18Å; Y20-L422 HydrophobicContact CD2-CB 4.42Å; Y20-L422 HydrophobicContact CE1-CB 4.26Å; Y20-L422 HydrophobicContact CE1-CD2 3.56Å; Y20-L422 HydrophobicContact CE1-CG 4.4Å; Y20-L422 HydrophobicContact CE2-CB 4.47Å; Y20-L422 HydrophobicContact CG-CB 4.35Å; Y20-L422 HydrophobicContact CG-CD1 4.08Å; Y20-L422 HydrophobicContact CG-CD2 4.33Å; Y20-E698 WeakPolarHBondContact CE1-OE2 3.23Å; Y20-E698 VanDerWaalsContact OH-CD 3.25Å; Y20-E698 PolarHBondContact OH-OE2 3.37Å
21	L	88.6	Confident	71.8	Confident	12 Å²	12	80.1 Å²	80.1	6%	0.063	44%	0.441	C	S	.	.			trans	-105.8	134	177.4	-71.2	170.9	0	0	0	110.7	V75 Q78 L82 V150 T152 N156 I158	L21-V75 HydrophobicContact CD2-CB 4.21Å; L21-V75 HydrophobicContact CD2-CG1 4.36Å; L21-V75 HydrophobicContact CD2-CG2 3.89Å; L21-Q78 HydrophobicContact CD2-CG 4.12Å; L21-L82 HydrophobicContact CD2-CD2 3.86Å; L21-V150 HydrophobicContact CD1-CG1 4.47Å; L21-V150 HydrophobicContact CD2-CG1 4.16Å; L21-T152 HydrophobicContact CD1-CG2 4.18Å; L21-T152 HydrophobicContact CD2-CG2 3.93Å; L21-T152 HydrophobicContact CG-CG2 4.11Å; L21-N156 VanDerWaalsContact CD1-O 3.23Å; L21-N156 WeakPolarHBondContact CD1-O 3.41Å; L21-I158 HydrophobicContact CB-CD1 3.71Å; L21-I158 HydrophobicContact CB-CG1 3.87Å; L21-I158 HydrophobicContact CB-CG2 4.11Å; L21-I158 HydrophobicContact CD1-CG1 4.34Å
22	K	91.2	Very high	74.4	Confident	72 Å²	72	76.4 Å²	76.4	31%	0.313	43%	0.426	S	S	.	.			trans	-144.4	133.5	173.9	165.2	-171.6	174.8	165.4	0	108.9	Y20 E24 V75 N76 E421	Y20-K22 HydrophobicContact CD2-CB 4.14Å; Y20-K22 HydrophobicContact CE2-CB 3.7Å; Y20-K22 HydrophobicContact CE2-CD 4.4Å; K22-E24 PolarHBondContact O-N 2.71Å; K22-V75 CarbonylContact O-C 3.52Å; K22-V75 WeakPolarHBondContact O-CA 3.27Å; K22-V75 WeakPolarHBondContact O-CB 3.29Å; K22-N76 PolarHBondContact N-OD1 3.02Å; K22-N76 PolarHBondContact O-N 3.17Å; K22-N76 PolarHBondContact O-OD1 2.66Å; K22-E421 VanDerWaalsContact CD-CD 3.46Å; K22-E421 HydrophobicContact CD-CG 4.35Å; K22-E421 VanDerWaalsContact CD-OE2 3.24Å; K22-E421 WeakPolarHBondContact CD-OE2 3.12Å; K22-E421 WeakPolarHBondContact CE-OE1 3.47Å; K22-E421 WeakPolarHBondContact CE-OE2 3.23Å; K22-E421 IonicContact NZ-OE1 3.09Å; K22-E421 PolarHBondContact NZ-OE1 3.03Å; K22-E421 IonicContact NZ-OE2 3.78Å; K22-E421 PolarHBondContact NZ-OE2 2.85Å
23	F	94	Very high	77	Confident	24 Å²	24	73 Å²	73	11%	0.105	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-66.1	130.7	171.8	-66.9	-59.6	0	0	0	111.7	A48 H74 V75 V150 I158	F23-A48 HydrophobicContact CB-CB 4.1Å; F23-A48 HydrophobicContact CD1-CB 3.32Å; F23-A48 HydrophobicContact CD2-CB 4.18Å; F23-A48 HydrophobicContact CE1-CB 3.68Å; F23-A48 HydrophobicContact CE2-CB 4.47Å; F23-A48 HydrophobicContact CG-CB 3.6Å; F23-A48 HydrophobicContact CZ-CB 4.25Å; F23-H74 CarbonylContact C-O 3.56Å; F23-H74 VanDerWaalsContact CA-O 3.32Å; F23-H74 WeakPolarHBondContact CA-O 3.36Å; F23-V75 HydrophobicContact CD1-CG1 3.82Å; F23-V75 HydrophobicContact CE1-CG1 4.09Å; F23-V150 HydrophobicContact CE1-CG2 4.01Å; F23-I158 HydrophobicContact CD1-CD1 3.97Å; F23-I158 HydrophobicContact CD2-CD1 3.83Å; F23-I158 HydrophobicContact CE1-CD1 3.86Å; F23-I158 HydrophobicContact CE1-CG1 4.15Å; F23-I158 HydrophobicContact CE2-CB 4.15Å; F23-I158 HydrophobicContact CE2-CD1 3.7Å; F23-I158 HydrophobicContact CE2-CG1 3.94Å; F23-I158 HydrophobicContact CG-CD1 3.96Å; F23-I158 HydrophobicContact CZ-CB 4.29Å; F23-I158 HydrophobicContact CZ-CD1 3.72Å; F23-I158 HydrophobicContact CZ-CG1 3.71Å
24	E	92.6	Very high	79.4	Confident	90 Å²	90	69.3 Å²	69.3	42%	0.421	39%	0.385	S	S	.	.			trans	-85.5	137.1	-179	-167.8	178.5	-179.7	0	0	111.2	K22 I26 H74	K22-E24 PolarHBondContact O-N 2.71Å; E24-I26 HydrophobicContact CB-CD1 4.44Å; E24-I26 HydrophobicContact CG-CD1 4.46Å; E24-I26 PolarHBondContact O-N 2.7Å; E24-H74 PolarHBondContact N-O 3.38Å
25	K	93.5	Very high	82.2	Confident	133 Å²	133	62 Å²	62	58%	0.578	35%	0.352	S	S	*	.			trans	-73.2	115.5	168.4	-80.8	-174.3	169.8	-137.7	0	109.4	E31 S49	K25-E31 IonicContact NZ-OE1 3.2Å; K25-E31 PolarHBondContact NZ-OE1 3.04Å; K25-S49 WeakPolarHBondContact CG-OG 3.43Å
26	I	93.9	Very high	84.5	Confident	43 Å²	43	60 Å²	60	22%	0.221	33%	0.332	C	S	.	.			trans	-88.2	129.4	179.9	-56.9	-58.3	0	0	0	110.5	E24 G28 A29 L45 D47 A72 H74	E24-I26 HydrophobicContact CB-CD1 4.44Å; E24-I26 HydrophobicContact CG-CD1 4.46Å; E24-I26 PolarHBondContact O-N 2.7Å; I26-G28 PolarHBondContact O-N 2.73Å; I26-A29 HydrophobicContact CB-CB 4.2Å; I26-A29 VanDerWaalsContact O-CB 3.27Å; I26-A29 WeakPolarHBondContact O-CB 3.19Å; I26-A29 PolarHBondContact O-N 3.19Å; I26-A29 VanDerWaalsContact O-N 3.08Å; I26-L45 HydrophobicContact CG2-CD2 3.96Å; I26-D47 HydrophobicContact CB-CB 4.03Å; I26-D47 HydrophobicContact CG1-CB 3.86Å; I26-A72 HydrophobicContact CG1-CB 3.93Å; I26-H74 HydrophobicContact CD1-CB 3.97Å
27	N	93.4	Very high	86.7	Confident	161 Å²	161	55.3 Å²	55.3	86%	0.861	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	127.8	175.7	-74.1	-29.9	0	0	0	111.4	A29	N27-A29 VanDerWaalsContact C-N 3.29Å
28	G	91.6	Very high	88.5	Confident	77 Å²	77	53.2 Å²	53.2	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	0.5	-179	0	0	0	0	0	114.8	I26	I26-G28 PolarHBondContact O-N 2.73Å
29	A	94.8	Very high	89.8	Confident	17 Å²	17	54.4 Å²	54.4	14%	0.14	30%	0.297	C	S	.	.			trans	-69.1	145.3	167.8	0	0	0	0	0	110.8	I26 N27 L45 D47	I26-A29 HydrophobicContact CB-CB 4.2Å; I26-A29 VanDerWaalsContact O-CB 3.27Å; I26-A29 WeakPolarHBondContact O-CB 3.19Å; I26-A29 PolarHBondContact O-N 3.19Å; I26-A29 VanDerWaalsContact O-N 3.08Å; N27-A29 VanDerWaalsContact C-N 3.29Å; A29-L45 CarbonylContact C-O 3.53Å; A29-L45 WeakPolarHBondContact CA-O 3.46Å; A29-L45 HydrophobicContact CB-CD2 4.32Å; A29-L45 HydrophobicContact CB-CG 4.03Å; A29-D47 HydrophobicContact CB-CB 3.96Å; A29-D47 WeakPolarHBondContact CB-OD2 3.14Å
30	S	93.3	Very high	90.6	Very high	30 Å²	30	56.1 Å²	56.1	21%	0.21	32%	0.315	C	S	.	.			trans	-78.6	128	178.3	-177.2	0	0	0	0	111.2	E32 L45 R54	S30-E32 VanDerWaalsContact C-N 3.33Å; S30-E32 WeakPolarHBondContact OG-CB 3.2Å; S30-E32 PolarHBondContact OG-N 3.43Å; S30-L45 PolarHBondContact N-O 2.8Å; S30-R54 PolarHBondContact O-NH1 3.4Å; S30-R54 VanDerWaalsContact O-NH1 3.16Å
31	E	90	Very high	91	Very high	154 Å²	154	60.9 Å²	60.9	72%	0.72	34%	0.34	S	S	*	.			trans	-88.8	1.8	171.3	-60.3	-166.7	147.2	0	0	112.5	K25	K25-E31 IonicContact NZ-OE1 3.2Å; K25-E31 PolarHBondContact NZ-OE1 3.04Å
32	E	89.4	Confident	91.1	Very high	94 Å²	94	62 Å²	62	44%	0.439	35%	0.348	S	S	.	.			trans	-67.9	141.6	178.7	-64.3	-172.4	148.8	0	0	111.8	S30 I35 R54 K333	S30-E32 VanDerWaalsContact C-N 3.33Å; S30-E32 WeakPolarHBondContact OG-CB 3.2Å; S30-E32 PolarHBondContact OG-N 3.43Å; E32-I35 HydrophobicContact CB-CG1 4.34Å; E32-I35 VanDerWaalsContact O-CD1 3.29Å; E32-I35 WeakPolarHBondContact O-CD1 3.15Å; E32-R54 VanDerWaalsContact O-CD 3.28Å; E32-R54 WeakPolarHBondContact O-CD 3.38Å; E32-K333 IonicContact OE1-NZ 3.32Å
33	S	88.4	Confident	91.3	Very high	55 Å²	55	63.2 Å²	63.2	39%	0.385	36%	0.362	S	S	.	.	S	Bend	trans	-77.1	-24.3	174.9	58	0	0	0	0	113.4	R54 I55	S33-R54 CarbonylContact O-C 3.54Å; S33-R54 WeakPolarHBondContact O-CA 3.46Å; S33-I55 PolarHBondContact O-N 3.21Å
34	L	89.7	Confident	91.4	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.079	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.2	-176.3	-73.2	161.1	0	0	0	109	F36 I55 Y57 N329 K330 T332	L34-F36 HydrophobicContact CB-CE2 4.38Å; L34-I55 WeakPolarHBondContact CA-O 3.28Å; L34-I55 HydrophobicContact CD2-CB 3.87Å; L34-I55 HydrophobicContact CD2-CD1 4.18Å; L34-I55 HydrophobicContact CD2-CG1 4.48Å; L34-I55 HydrophobicContact CD2-CG2 4.35Å; L34-Y57 HydrophobicContact CD2-CE2 4.01Å; L34-N329 HydrophobicContact CD1-CB 3.91Å; L34-N329 HydrophobicContact CD2-CB 4.08Å; L34-K330 WeakPolarHBondContact CD1-O 3.24Å; L34-T332 WeakPolarHBondContact CD1-OG1 3.33Å
35	I	92	Very high	91.6	Very high	10 Å²	10	61 Å²	61	5%	0.051	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.7	-177.8	-59	91.6	0	0	0	109.3	E32 L37 A44 L46 R54 I55 V56 Y57	E32-I35 HydrophobicContact CB-CG1 4.34Å; E32-I35 VanDerWaalsContact O-CD1 3.29Å; E32-I35 WeakPolarHBondContact O-CD1 3.15Å; I35-L37 HydrophobicContact CG2-CD2 4.47Å; I35-A44 HydrophobicContact CG2-CB 3.89Å; I35-L46 HydrophobicContact CD1-CD1 4.49Å; I35-L46 HydrophobicContact CD1-CD2 3.86Å; I35-L46 HydrophobicContact CG1-CD2 4.26Å; I35-R54 HydrophobicContact CD1-CB 4.34Å; I35-I55 PolarHBondContact N-O 2.81Å; I35-V56 HydrophobicContact CB-CG1 4.41Å; I35-V56 HydrophobicContact CB-CG2 4.31Å; I35-V56 HydrophobicContact CD1-CG2 4.22Å; I35-V56 HydrophobicContact CG2-CG1 4.45Å; I35-V56 WeakPolarHBondContact O-CA 3.39Å; I35-Y57 PolarHBondContact O-N 3.44Å
36	F	89.5	Confident	91.8	Very high	36 Å²	36	54.6 Å²	54.6	16%	0.158	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	103.2	174.5	-66.6	-96	0	0	0	109.7	L34 N38 Y57 A59 L215 T332	L34-F36 HydrophobicContact CB-CE2 4.38Å; F36-N38 PolarHBondContact O-N 2.74Å; F36-N38 PolarHBondContact O-ND2 2.74Å; F36-Y57 AromaticContact CD1-CD2 3.91Å; F36-Y57 HydrophobicContact CD1-CD2 3.91Å; F36-Y57 AromaticContact CD1-CG 3.98Å; F36-Y57 HydrophobicContact CD1-CG 3.98Å; F36-Y57 HydrophobicContact CE1-CD1 4.46Å; F36-Y57 AromaticContact CE1-CD2 3.51Å; F36-Y57 HydrophobicContact CE1-CD2 3.51Å; F36-Y57 AromaticContact CE1-CE2 3.97Å; F36-Y57 HydrophobicContact CE1-CE2 3.97Å; F36-Y57 AromaticContact CE1-CG 3.78Å; F36-Y57 HydrophobicContact CE1-CG 3.78Å; F36-Y57 HydrophobicContact CE2-CD2 4.3Å; F36-Y57 HydrophobicContact CG-CD2 4.45Å; F36-Y57 AromaticContact CZ-CD2 3.73Å; F36-Y57 HydrophobicContact CZ-CD2 3.73Å; F36-Y57 AromaticContact CZ-CE2 3.85Å; F36-Y57 HydrophobicContact CZ-CE2 3.85Å; F36-Y57 HydrophobicContact CZ-CG 4.45Å; F36-A59 HydrophobicContact CB-CB 4.32Å; F36-A59 HydrophobicContact CD1-CB 4.01Å; F36-L215 HydrophobicContact CE1-CD2 4.4Å; F36-T332 HydrophobicContact CZ-CG2 4.27Å
37	L	92	Very high	91.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122	171.1	-66.5	178.8	0	0	0	109.5	I35 N41 A44 V56 Y57 F58 A59 Q60 L67 L69	I35-L37 HydrophobicContact CG2-CD2 4.47Å; L37-N41 WeakPolarHBondContact CA-O 2.98Å; L37-A44 HydrophobicContact CD2-CB 3.62Å; L37-V56 HydrophobicContact CD1-CG1 4.01Å; L37-V56 HydrophobicContact CG-CG1 4.17Å; L37-Y57 PolarHBondContact N-O 3.28Å; L37-F58 HydrophobicContact CB-CD1 4.45Å; L37-F58 HydrophobicContact CD1-CD1 3.9Å; L37-F58 HydrophobicContact CD1-CE1 3.59Å; L37-F58 HydrophobicContact CD1-CE2 4.31Å; L37-F58 HydrophobicContact CD1-CG 4.44Å; L37-F58 HydrophobicContact CD1-CZ 3.8Å; L37-A59 WeakPolarHBondContact O-CB 3.39Å; L37-A59 PolarHBondContact O-N 2.78Å; L37-Q60 PolarHBondContact O-N 2.83Å; L37-L67 HydrophobicContact CB-CD1 4.27Å; L37-L67 HydrophobicContact CB-CD2 4.45Å; L37-L69 HydrophobicContact CD1-CB 4.1Å
38	N	88.6	Confident	92	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.134	28%	0.28	C	S	.	.			trans	-150.4	-177.9	-179.5	62.2	51.9	0	0	0	111.4	F36 A40 N41 P42 Q60	F36-N38 PolarHBondContact O-N 2.74Å; F36-N38 PolarHBondContact O-ND2 2.74Å; N38-A40 PolarHBondContact O-N 3.03Å; N38-A40 WeakPolarHBondContact OD1-CA 3.18Å; N38-A40 WeakPolarHBondContact OD1-CB 3.27Å; N38-A40 PolarHBondContact OD1-N 2.76Å; N38-N41 PolarHBondContact N-O 3.43Å; N38-N41 CarbonylContact O-C 3.56Å; N38-N41 PolarHBondContact O-N 3.41Å; N38-N41 VanDerWaalsContact O-N 3.12Å; N38-N41 VanDerWaalsContact O-O 3.11Å; N38-N41 PolarHBondContact OD1-N 2.66Å; N38-P42 WeakPolarHBondContact O-CA 3.36Å; N38-Q60 VanDerWaalsContact CA-O 3.26Å; N38-Q60 WeakPolarHBondContact CA-O 3.22Å; N38-Q60 HydrophobicContact CB-CB 4.09Å
39	D	85.5	Confident	92.1	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.219	25%	0.25	C	S	.	.	S	Bend	trans	-61.3	-27.1	-178.3	-60.6	-33.3	0	0	0	114	K61 S62 L65	D39-K61 WeakPolarHBondContact OD1-CA 3.47Å; D39-S62 PolarHBondContact OD1-N 3.41Å; D39-S62 WeakPolarHBondContact OD2-CB 3.46Å; D39-S62 PolarHBondContact OD2-N 3.31Å; D39-S62 PolarHBondContact OD2-OG 2.72Å; D39-L65 HydrophobicContact CB-CD1 4.08Å
40	A	87.9	Confident	92	Very high	83 Å²	83	43.2 Å²	43.2	69%	0.686	25%	0.252	S	S	*	.	S	Bend	trans	-83.1	-33.8	175.6	0	0	0	0	0	112.3	N38 P42	N38-A40 PolarHBondContact O-N 3.03Å; N38-A40 WeakPolarHBondContact OD1-CA 3.18Å; N38-A40 WeakPolarHBondContact OD1-CB 3.27Å; N38-A40 PolarHBondContact OD1-N 2.76Å; A40-P42 VanDerWaalsContact C-CD 3.48Å; A40-P42 WeakPolarHBondContact O-CD 3.1Å
41	N	90.1	Very high	91.7	Very high	104 Å²	104	45.8 Å²	45.8	56%	0.556	26%	0.264	S	S	*	.	S	Bend	trans	-123.3	73.5	177.2	-65	-30.6	0	0	0	109.9	L37 N38 T43	L37-N41 WeakPolarHBondContact CA-O 2.98Å; N38-N41 PolarHBondContact N-O 3.43Å; N38-N41 CarbonylContact O-C 3.56Å; N38-N41 PolarHBondContact O-N 3.41Å; N38-N41 VanDerWaalsContact O-N 3.12Å; N38-N41 VanDerWaalsContact O-O 3.11Å; N38-N41 PolarHBondContact OD1-N 2.66Å; N41-T43 VanDerWaalsContact C-N 3.28Å; N41-T43 PolarHBondContact O-N 3.26Å
42	P	92.5	Very high	91.6	Very high	35 Å²	35	40.4 Å²	40.4	23%	0.227	24%	0.242	C	C	.	.			trans	-76.6	-16.3	-170.4	28.8	-35.7	0	0	0	113.4	N38 A40 L67 K68	N38-P42 WeakPolarHBondContact O-CA 3.36Å; A40-P42 VanDerWaalsContact C-CD 3.48Å; A40-P42 WeakPolarHBondContact O-CD 3.1Å; P42-L67 HydrophobicContact CB-CD2 4.15Å; P42-L67 CarbonylContact O-C 3.6Å; P42-L67 VanDerWaalsContact O-CA 3.28Å; P42-L67 WeakPolarHBondContact O-CA 3.38Å; P42-K68 PolarHBondContact O-N 3.5Å
43	T	94.6	Very high	91.8	Very high	99 Å²	99	36 Å²	36	61%	0.607	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.3	-175	61.1	0	0	0	0	111.9	N41 K68	N41-T43 VanDerWaalsContact C-N 3.28Å; N41-T43 PolarHBondContact O-N 3.26Å; T43-K68 CarbonylContact C-O 3.59Å; T43-K68 VanDerWaalsContact CA-O 3.25Å; T43-K68 WeakPolarHBondContact CA-O 3.32Å; T43-K68 HydrophobicContact CG2-CB 4.17Å
44	A	96	Very high	92	Very high	15 Å²	15	33.8 Å²	33.8	12%	0.124	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.3	168.8	0	0	0	0	0	110.9	I35 L37 K68 L69 T70	I35-A44 HydrophobicContact CG2-CB 3.89Å; L37-A44 HydrophobicContact CD2-CB 3.62Å; A44-K68 PolarHBondContact N-O 3.49Å; A44-L69 HydrophobicContact CB-CD1 4.01Å; A44-T70 PolarHBondContact O-N 3.32Å
45	L	97	Very high	92.2	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	168.8	175.7	62.2	0	0	0	107.9	I26 A29 S30 T70 A72	I26-L45 HydrophobicContact CG2-CD2 3.96Å; A29-L45 CarbonylContact C-O 3.53Å; A29-L45 WeakPolarHBondContact CA-O 3.46Å; A29-L45 HydrophobicContact CB-CD2 4.32Å; A29-L45 HydrophobicContact CB-CG 4.03Å; S30-L45 PolarHBondContact N-O 2.8Å; L45-T70 CarbonylContact C-O 3.58Å; L45-T70 WeakPolarHBondContact CA-O 3.42Å; L45-T70 HydrophobicContact CD1-CG2 3.72Å; L45-A72 HydrophobicContact CD1-CB 4.24Å
46	L	97.4	Very high	92.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.9	176.2	-62.9	-173.9	0	0	0	108.4	I35 V56 L69 T70 F71 A72 I163	I35-L46 HydrophobicContact CD1-CD1 4.49Å; I35-L46 HydrophobicContact CD1-CD2 3.86Å; I35-L46 HydrophobicContact CG1-CD2 4.26Å; L46-V56 HydrophobicContact CD1-CG2 3.68Å; L46-L69 HydrophobicContact CD1-CD1 3.84Å; L46-L69 HydrophobicContact CG-CD1 3.95Å; L46-T70 PolarHBondContact N-O 2.75Å; L46-F71 HydrophobicContact CB-CD2 4.33Å; L46-F71 CarbonylContact O-C 3.49Å; L46-F71 WeakPolarHBondContact O-CA 3.26Å; L46-A72 PolarHBondContact O-N 2.72Å; L46-I163 HydrophobicContact CB-CD1 4.34Å; L46-I163 HydrophobicContact CD1-CD1 3.84Å; L46-I163 HydrophobicContact CD1-CG1 4.23Å; L46-I163 HydrophobicContact CD1-CG2 4.08Å
47	D	95.9	Very high	92.4	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	156.2	174.8	65.8	89.1	0	0	0	112	I26 A29 S49 R54 A72	I26-D47 HydrophobicContact CB-CB 4.03Å; I26-D47 HydrophobicContact CG1-CB 3.86Å; A29-D47 HydrophobicContact CB-CB 3.96Å; A29-D47 WeakPolarHBondContact CB-OD2 3.14Å; D47-S49 PolarHBondContact O-N 3.14Å; D47-S49 WeakPolarHBondContact OD1-CA 3.29Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.23Å; D47-S49 PolarHBondContact OD1-N 3.32Å; D47-S49 PolarHBondContact OD1-OG 3.26Å; D47-R54 PolarHBondContact O-NH1 3.28Å; D47-R54 PolarHBondContact O-NH2 2.8Å; D47-R54 IonicContact OD2-NH1 2.9Å; D47-A72 CarbonylContact C-O 3.1Å; D47-A72 WeakPolarHBondContact CA-O 3.2Å
48	A	96.1	Very high	92.3	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.033	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.5	-176.7	0	0	0	0	0	115.6	F23 A50 F71 A72	F23-A48 HydrophobicContact CB-CB 4.1Å; F23-A48 HydrophobicContact CD1-CB 3.32Å; F23-A48 HydrophobicContact CD2-CB 4.18Å; F23-A48 HydrophobicContact CE1-CB 3.68Å; F23-A48 HydrophobicContact CE2-CB 4.47Å; F23-A48 HydrophobicContact CG-CB 3.6Å; F23-A48 HydrophobicContact CZ-CB 4.25Å; A48-A50 VanDerWaalsContact C-N 3.3Å; A48-A50 PolarHBondContact O-N 2.71Å; A48-F71 HydrophobicContact CB-CE2 3.95Å; A48-F71 HydrophobicContact CB-CZ 4.09Å; A48-A72 PolarHBondContact N-O 3.39Å
49	S	93.6	Very high	92.3	Very high	25 Å²	25	30.1 Å²	30.1	18%	0.175	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.4	-175.5	82	0	0	0	0	114.8	K25 D47 N51	K25-S49 WeakPolarHBondContact CG-OG 3.43Å; D47-S49 PolarHBondContact O-N 3.14Å; D47-S49 WeakPolarHBondContact OD1-CA 3.29Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.23Å; D47-S49 PolarHBondContact OD1-N 3.32Å; D47-S49 PolarHBondContact OD1-OG 3.26Å; S49-N51 PolarHBondContact O-N 3Å
50	A	91.8	Very high	92.2	Very high	23 Å²	23	31 Å²	31	19%	0.19	19%	0.189	C	C	.	.			trans	-60.8	135.1	178.3	0	0	0	0	0	112	A48 T52 N161	A48-A50 VanDerWaalsContact C-N 3.3Å; A48-A50 PolarHBondContact O-N 2.71Å; A50-T52 VanDerWaalsContact C-N 3.31Å; A50-T52 PolarHBondContact O-N 3.09Å; A50-N161 PolarHBondContact O-ND2 3.33Å
51	N	87.1	Confident	91.8	Very high	85 Å²	85	29.2 Å²	29.2	46%	0.455	17%	0.166	S	C	.	.	S	Bend	trans	-77.8	-11.8	-177.1	-66.1	-34.5	0	0	0	114.3	S49 N161 P416 S519	S49-N51 PolarHBondContact O-N 3Å; N51-N161 VanDerWaalsContact C-ND2 3.27Å; N51-N161 PolarHBondContact O-ND2 3.17Å; N51-P416 HydrophobicContact CB-CB 4.44Å; N51-S519 PolarHBondContact O-OG 2.88Å
52	T	88.4	Confident	91.2	Very high	41 Å²	41	26.1 Å²	26.1	25%	0.252	15%	0.152	S	C	.	.	S	Bend	trans	-138.9	159.8	-176.9	56.7	0	0	0	0	110.6	A50 F412	A50-T52 VanDerWaalsContact C-N 3.31Å; A50-T52 PolarHBondContact O-N 3.09Å; T52-F412 HydrophobicContact CG2-CB 3.72Å
53	Q	92.8	Very high	90.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.173	C	C	.	.			trans	-57.6	139.2	170.8	172.4	176.5	-19	0	0	111.5	E162 P410 Q518	Q53-E162 VanDerWaalsContact CA-O 3.24Å; Q53-E162 WeakPolarHBondContact CA-O 3.48Å; Q53-E162 HydrophobicContact CG-CB 4.27Å; Q53-E162 WeakPolarHBondContact CG-O 3.28Å; Q53-P410 HydrophobicContact CB-CB 4.4Å; Q53-P410 HydrophobicContact CB-CG 4.3Å; Q53-Q518 VanDerWaalsContact CB-O 3.3Å; Q53-Q518 WeakPolarHBondContact CB-O 3.28Å; Q53-Q518 PolarHBondContact N-O 2.93Å; Q53-Q518 VanDerWaalsContact N-O 3.14Å
54	R	93.6	Very high	89.1	Confident	9 Å²	9	29.2 Å²	29.2	3%	0.034	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.5	174.5	-64.2	-177.8	-67.8	-152.9	-13.5	110.9	S30 E32 S33 I35 D47 E162 I163 E164	S30-R54 PolarHBondContact O-NH1 3.4Å; S30-R54 VanDerWaalsContact O-NH1 3.16Å; E32-R54 VanDerWaalsContact O-CD 3.28Å; E32-R54 WeakPolarHBondContact O-CD 3.38Å; S33-R54 CarbonylContact O-C 3.54Å; S33-R54 WeakPolarHBondContact O-CA 3.46Å; I35-R54 HydrophobicContact CD1-CB 4.34Å; D47-R54 PolarHBondContact O-NH1 3.28Å; D47-R54 PolarHBondContact O-NH2 2.8Å; D47-R54 IonicContact OD2-NH1 2.9Å; R54-E162 PolarHBondContact N-O 2.99Å; R54-I163 CarbonylContact O-C 3.56Å; R54-I163 WeakPolarHBondContact O-CA 3.25Å; R54-E164 PolarHBondContact O-N 3.25Å
55	I	92.8	Very high	88.3	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.4	179.2	-55.7	172.2	0	0	0	108.6	S33 L34 I35 Y57 E164 R166 N329	S33-I55 PolarHBondContact O-N 3.21Å; L34-I55 WeakPolarHBondContact CA-O 3.28Å; L34-I55 HydrophobicContact CD2-CB 3.87Å; L34-I55 HydrophobicContact CD2-CD1 4.18Å; L34-I55 HydrophobicContact CD2-CG1 4.48Å; L34-I55 HydrophobicContact CD2-CG2 4.35Å; I35-I55 PolarHBondContact N-O 2.81Å; I55-Y57 HydrophobicContact CG2-CD2 4.25Å; I55-Y57 HydrophobicContact CG2-CE2 3.71Å; I55-E164 CarbonylContact C-O 3.59Å; I55-E164 WeakPolarHBondContact CA-O 3.26Å; I55-E164 HydrophobicContact CG1-CB 4.11Å; I55-E164 HydrophobicContact CG2-CB 4.43Å; I55-R166 HydrophobicContact CG2-CG 4.38Å; I55-N329 WeakPolarHBondContact CD1-ND2 3.22Å
56	V	94.2	Very high	87.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.6	-179.9	-174.5	0	0	0	0	109.5	I35 L37 L46 L69 I163 E164 R166	I35-V56 HydrophobicContact CB-CG1 4.41Å; I35-V56 HydrophobicContact CB-CG2 4.31Å; I35-V56 HydrophobicContact CD1-CG2 4.22Å; I35-V56 HydrophobicContact CG2-CG1 4.45Å; I35-V56 WeakPolarHBondContact O-CA 3.39Å; L37-V56 HydrophobicContact CD1-CG1 4.01Å; L37-V56 HydrophobicContact CG-CG1 4.17Å; L46-V56 HydrophobicContact CD1-CG2 3.68Å; V56-L69 HydrophobicContact CB-CD2 4.35Å; V56-L69 HydrophobicContact CG1-CD1 4.29Å; V56-L69 HydrophobicContact CG1-CD2 4.16Å; V56-L69 HydrophobicContact CG2-CD1 4.2Å; V56-L69 HydrophobicContact CG2-CD2 4.17Å; V56-I163 HydrophobicContact CG2-CG2 3.83Å; V56-E164 PolarHBondContact N-O 3.26Å; V56-R166 PolarHBondContact O-N 2.97Å
57	Y	91.4	Very high	87.5	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122	170.5	-64.6	-91.6	0	0	0	110	L34 I35 F36 L37 I55 A59 R166 W211 L215	L34-Y57 HydrophobicContact CD2-CE2 4.01Å; I35-Y57 PolarHBondContact O-N 3.44Å; F36-Y57 AromaticContact CD1-CD2 3.91Å; F36-Y57 HydrophobicContact CD1-CD2 3.91Å; F36-Y57 AromaticContact CD1-CG 3.98Å; F36-Y57 HydrophobicContact CD1-CG 3.98Å; F36-Y57 HydrophobicContact CE1-CD1 4.46Å; F36-Y57 AromaticContact CE1-CD2 3.51Å; F36-Y57 HydrophobicContact CE1-CD2 3.51Å; F36-Y57 AromaticContact CE1-CE2 3.97Å; F36-Y57 HydrophobicContact CE1-CE2 3.97Å; F36-Y57 AromaticContact CE1-CG 3.78Å; F36-Y57 HydrophobicContact CE1-CG 3.78Å; F36-Y57 HydrophobicContact CE2-CD2 4.3Å; F36-Y57 HydrophobicContact CG-CD2 4.45Å; F36-Y57 AromaticContact CZ-CD2 3.73Å; F36-Y57 HydrophobicContact CZ-CD2 3.73Å; F36-Y57 AromaticContact CZ-CE2 3.85Å; F36-Y57 HydrophobicContact CZ-CE2 3.85Å; F36-Y57 HydrophobicContact CZ-CG 4.45Å; L37-Y57 PolarHBondContact N-O 3.28Å; I55-Y57 HydrophobicContact CG2-CD2 4.25Å; I55-Y57 HydrophobicContact CG2-CE2 3.71Å; Y57-A59 VanDerWaalsContact C-N 3.28Å; Y57-A59 PolarHBondContact O-N 3.48Å; Y57-A59 VanDerWaalsContact O-N 3.12Å; Y57-R166 WeakPolarHBondContact CA-O 3.47Å; Y57-R166 HydrophobicContact CD1-CB 3.73Å; Y57-R166 HydrophobicContact CD1-CG 4.48Å; Y57-R166 HydrophobicContact CE1-CB 3.98Å; Y57-R166 HydrophobicContact CE1-CG 4.27Å; Y57-R166 HydrophobicContact CG-CB 4.43Å; Y57-R166 PolarHBondContact OH-NH1 2.85Å; Y57-W211 HydrophobicContact CD1-CE3 4.42Å; Y57-W211 HydrophobicContact CD1-CZ3 4.42Å; Y57-W211 HydrophobicContact CE1-CE3 4.01Å; Y57-W211 HydrophobicContact CE1-CZ3 4.46Å; Y57-L215 HydrophobicContact CD1-CD2 4.05Å; Y57-L215 HydrophobicContact CE1-CD2 4.2Å
58	F	91.6	Very high	87.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	89.9	155.3	-70.8	-95.3	0	0	0	106.7	L37 L67 L69 I130 L132 I165 R166 A168 V169	L37-F58 HydrophobicContact CB-CD1 4.45Å; L37-F58 HydrophobicContact CD1-CD1 3.9Å; L37-F58 HydrophobicContact CD1-CE1 3.59Å; L37-F58 HydrophobicContact CD1-CE2 4.31Å; L37-F58 HydrophobicContact CD1-CG 4.44Å; L37-F58 HydrophobicContact CD1-CZ 3.8Å; F58-L67 HydrophobicContact CB-CD1 4.32Å; F58-L67 HydrophobicContact CD1-CB 3.76Å; F58-L67 HydrophobicContact CD1-CD1 3.76Å; F58-L67 HydrophobicContact CD1-CG 4.44Å; F58-L67 HydrophobicContact CE1-CB 3.87Å; F58-L69 HydrophobicContact CZ-CB 4Å; F58-I130 HydrophobicContact CZ-CG2 4.02Å; F58-L132 HydrophobicContact CB-CD1 4.02Å; F58-L132 HydrophobicContact CD1-CD1 3.31Å; F58-L132 HydrophobicContact CD1-CG 3.99Å; F58-L132 HydrophobicContact CE1-CD1 3.92Å; F58-L132 HydrophobicContact CE1-CG 4.07Å; F58-L132 HydrophobicContact CG-CD1 3.83Å; F58-I165 HydrophobicContact CD2-CG2 3.71Å; F58-I165 HydrophobicContact CE2-CG2 3.54Å; F58-R166 PolarHBondContact N-O 2.83Å; F58-A168 WeakPolarHBondContact O-CA 3.43Å; F58-A168 VanDerWaalsContact O-CB 3.26Å; F58-A168 WeakPolarHBondContact O-CB 3.22Å; F58-A168 PolarHBondContact O-N 2.73Å; F58-V169 HydrophobicContact CB-CG2 4.4Å; F58-V169 PolarHBondContact O-N 2.82Å; F58-V169 VanDerWaalsContact O-N 3.08Å
59	A	87.5	Confident	87.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.			trans	-88.8	-41.8	-161.9	0	0	0	0	0	113.2	F36 L37 Y57 Y219	F36-A59 HydrophobicContact CB-CB 4.32Å; F36-A59 HydrophobicContact CD1-CB 4.01Å; L37-A59 WeakPolarHBondContact O-CB 3.39Å; L37-A59 PolarHBondContact O-N 2.78Å; Y57-A59 VanDerWaalsContact C-N 3.28Å; Y57-A59 PolarHBondContact O-N 3.48Å; Y57-A59 VanDerWaalsContact O-N 3.12Å; A59-Y219 HydrophobicContact CB-CD1 4.15Å; A59-Y219 HydrophobicContact CB-CE1 3.82Å
60	Q	84	Confident	87.5	Confident	58 Å²	58	35.6 Å²	35.6	27%	0.271	21%	0.209	S	C	.	.			trans	-153.9	141.1	-177.8	-178.4	176.9	-0.2	0	0	111	L37 N38 Y219	L37-Q60 PolarHBondContact O-N 2.83Å; N38-Q60 VanDerWaalsContact CA-O 3.26Å; N38-Q60 WeakPolarHBondContact CA-O 3.22Å; N38-Q60 HydrophobicContact CB-CB 4.09Å; Q60-Y219 HydrophobicContact CB-CD1 4.04Å; Q60-Y219 HydrophobicContact CB-CE1 4.47Å
61	K	80	Confident	87.8	Confident	47 Å²	47	35 Å²	35	20%	0.204	20%	0.202	C	C	.	.			trans	-142.8	121.4	175.4	178.2	178.1	160.3	177.2	0	110.8	D39 L65 L67 L132 T133 V169	D39-K61 WeakPolarHBondContact OD1-CA 3.47Å; K61-L65 WeakPolarHBondContact CE-O 3.43Å; K61-L65 WeakPolarHBondContact CG-O 3.16Å; K61-L67 HydrophobicContact CB-CD1 3.98Å; K61-L67 HydrophobicContact CB-CG 4.23Å; K61-L67 HydrophobicContact CD-CG 4.34Å; K61-L67 HydrophobicContact CG-CG 4.35Å; K61-L132 HydrophobicContact CD-CB 4.36Å; K61-L132 VanDerWaalsContact NZ-C 3.28Å; K61-L132 PolarHBondContact NZ-O 3.43Å; K61-T133 VanDerWaalsContact NZ-C 3.27Å; K61-T133 PolarHBondContact NZ-O 2.89Å; K61-V169 HydrophobicContact CB-CG1 4.25Å; K61-V169 HydrophobicContact CB-CG2 3.95Å
62	S	77.6	Confident	88.2	Confident	39 Å²	39	31 Å²	31	27%	0.273	18%	0.181	S	C	.	.			trans	-104.1	127.8	169.9	-57.9	0	0	0	0	110.2	D39 L65	D39-S62 PolarHBondContact OD1-N 3.41Å; D39-S62 WeakPolarHBondContact OD2-CB 3.46Å; D39-S62 PolarHBondContact OD2-N 3.31Å; D39-S62 PolarHBondContact OD2-OG 2.72Å; S62-L65 PolarHBondContact O-N 3.34Å
63	P	69.6	Low	88.6	Confident	102 Å²	102	29 Å²	29	66%	0.662	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	140.4	172.4	-21.8	32.3	0	0	0	111
64	P	71.8	Confident	88.7	Confident	96 Å²	96	30.6 Å²	30.6	62%	0.623	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	cis	-95	7.9	8.9	37.4	-35.7	0	0	0	114.8	G66	P64-G66 PolarHBondContact O-N 3.34Å
65	L	79.9	Confident	88.8	Confident	81 Å²	81	30.2 Å²	30.2	42%	0.424	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-68.1	131.4	-172.7	-67.9	165.6	0	0	0	111.4	D39 K61 S62	D39-L65 HydrophobicContact CB-CD1 4.08Å; K61-L65 WeakPolarHBondContact CE-O 3.43Å; K61-L65 WeakPolarHBondContact CG-O 3.16Å; S62-L65 PolarHBondContact O-N 3.34Å
66	G	86	Confident	88.7	Confident	38 Å²	38	31.1 Å²	31.1	39%	0.392	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-89.9	149	170.3	0	0	0	0	0	111	P64 L132	P64-G66 PolarHBondContact O-N 3.34Å; G66-L132 VanDerWaalsContact CA-O 3.31Å; G66-L132 WeakPolarHBondContact CA-O 3.36Å
67	L	91.9	Very high	88.5	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.1	170.3	-56.8	179.7	0	0	0	109	L37 P42 F58 K61 S131 L132 V169	L37-L67 HydrophobicContact CB-CD1 4.27Å; L37-L67 HydrophobicContact CB-CD2 4.45Å; P42-L67 HydrophobicContact CB-CD2 4.15Å; P42-L67 CarbonylContact O-C 3.6Å; P42-L67 VanDerWaalsContact O-CA 3.28Å; P42-L67 WeakPolarHBondContact O-CA 3.38Å; F58-L67 HydrophobicContact CB-CD1 4.32Å; F58-L67 HydrophobicContact CD1-CB 3.76Å; F58-L67 HydrophobicContact CD1-CD1 3.76Å; F58-L67 HydrophobicContact CD1-CG 4.44Å; F58-L67 HydrophobicContact CE1-CB 3.87Å; K61-L67 HydrophobicContact CB-CD1 3.98Å; K61-L67 HydrophobicContact CB-CG 4.23Å; K61-L67 HydrophobicContact CD-CG 4.34Å; K61-L67 HydrophobicContact CG-CG 4.35Å; L67-S131 CarbonylContact O-C 3.48Å; L67-S131 WeakPolarHBondContact O-CA 3.45Å; L67-L132 HydrophobicContact CB-CB 4.29Å; L67-L132 HydrophobicContact CD1-CD1 4.33Å; L67-L132 PolarHBondContact N-O 2.8Å; L67-L132 PolarHBondContact O-N 3.08Å; L67-V169 HydrophobicContact CD1-CG2 4.26Å
68	K	93.3	Very high	88.4	Confident	89 Å²	89	34.2 Å²	34.2	39%	0.387	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.5	179.9	-177	176.9	179.8	-179.4	0	111.6	P42 T43 A44 I130	P42-K68 PolarHBondContact O-N 3.5Å; T43-K68 CarbonylContact C-O 3.59Å; T43-K68 VanDerWaalsContact CA-O 3.25Å; T43-K68 WeakPolarHBondContact CA-O 3.32Å; T43-K68 HydrophobicContact CG2-CB 4.17Å; A44-K68 PolarHBondContact N-O 3.49Å; K68-I130 WeakPolarHBondContact CA-O 3.45Å
69	L	96.1	Very high	88	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.5	168.6	175.2	67.3	0	0	0	108.4	L37 A44 L46 V56 F58 S129 I130 I165	L37-L69 HydrophobicContact CD1-CB 4.1Å; A44-L69 HydrophobicContact CB-CD1 4.01Å; L46-L69 HydrophobicContact CD1-CD1 3.84Å; L46-L69 HydrophobicContact CG-CD1 3.95Å; V56-L69 HydrophobicContact CB-CD2 4.35Å; V56-L69 HydrophobicContact CG1-CD1 4.29Å; V56-L69 HydrophobicContact CG1-CD2 4.16Å; V56-L69 HydrophobicContact CG2-CD1 4.2Å; V56-L69 HydrophobicContact CG2-CD2 4.17Å; F58-L69 HydrophobicContact CZ-CB 4Å; L69-S129 CarbonylContact O-C 3.58Å; L69-S129 VanDerWaalsContact O-CA 3.27Å; L69-S129 WeakPolarHBondContact O-CA 3.44Å; L69-I130 HydrophobicContact CB-CG2 3.7Å; L69-I130 HydrophobicContact CD2-CG2 4.25Å; L69-I130 HydrophobicContact CG-CG2 4.37Å; L69-I130 PolarHBondContact N-O 3.45Å; L69-I130 PolarHBondContact O-N 3.2Å; L69-I165 HydrophobicContact CD2-CD1 3.77Å; L69-I165 HydrophobicContact CD2-CG1 4.14Å
70	T	96.5	Very high	87.9	Confident	22 Å²	22	45.5 Å²	45.5	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.9	169.6	-59.8	0	0	0	0	109.2	A44 L45 L46 N127 F128 S129	A44-T70 PolarHBondContact O-N 3.32Å; L45-T70 CarbonylContact C-O 3.58Å; L45-T70 WeakPolarHBondContact CA-O 3.42Å; L45-T70 HydrophobicContact CD1-CG2 3.72Å; L46-T70 PolarHBondContact N-O 2.75Å; T70-N127 HydrophobicContact CG2-CB 4.27Å; T70-F128 CarbonylContact C-O 3.55Å; T70-F128 WeakPolarHBondContact CA-O 3.47Å; T70-S129 PolarHBondContact OG1-OG 2.73Å
71	F	96.8	Very high	88.2	Confident	10 Å²	10	46.2 Å²	46.2	4%	0.044	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	106.9	171.8	177.5	-144.4	0	0	0	109.7	L46 A48 C73 L87 F128 C148 I163	L46-F71 HydrophobicContact CB-CD2 4.33Å; L46-F71 CarbonylContact O-C 3.49Å; L46-F71 WeakPolarHBondContact O-CA 3.26Å; A48-F71 HydrophobicContact CB-CE2 3.95Å; A48-F71 HydrophobicContact CB-CZ 4.09Å; F71-C73 PolarHBondContact O-N 3.34Å; F71-L87 HydrophobicContact CD1-CD1 3.91Å; F71-L87 HydrophobicContact CE1-CD1 4.09Å; F71-F128 HydrophobicContact CD1-CD2 4.41Å; F71-F128 PolarHBondContact N-O 3.48Å; F71-F128 PolarHBondContact O-N 3.06Å; F71-C148 HydrophobicContact CE1-CB 3.73Å; F71-C148 HydrophobicContact CZ-CB 4.1Å; F71-I163 HydrophobicContact CB-CD1 4.11Å; F71-I163 HydrophobicContact CD1-CD1 3.82Å; F71-I163 HydrophobicContact CD2-CD1 3.3Å; F71-I163 HydrophobicContact CE1-CD1 3.99Å; F71-I163 HydrophobicContact CE2-CD1 3.52Å; F71-I163 HydrophobicContact CG-CD1 3.47Å; F71-I163 VanDerWaalsContact CG-CD1 3.47Å; F71-I163 HydrophobicContact CZ-CD1 3.86Å
72	A	96.7	Very high	88.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	104.1	177.5	0	0	0	0	0	110.2	I26 L45 L46 D47 A48 H74 N127	I26-A72 HydrophobicContact CG1-CB 3.93Å; L45-A72 HydrophobicContact CD1-CB 4.24Å; L46-A72 PolarHBondContact O-N 2.72Å; D47-A72 CarbonylContact C-O 3.1Å; D47-A72 WeakPolarHBondContact CA-O 3.2Å; A48-A72 PolarHBondContact N-O 3.39Å; A72-H74 VanDerWaalsContact C-N 3.34Å; A72-H74 PolarHBondContact O-N 2.75Å; A72-N127 VanDerWaalsContact CA-OD1 3.26Å; A72-N127 WeakPolarHBondContact CA-OD1 3.35Å; A72-N127 WeakPolarHBondContact CB-OD1 3.07Å
73	C	96.4	Very high	89.2	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	69.4	172.1	-170.2	0	0	0	0	109.9	F71 G125 A126 F128 C148 V150	F71-C73 PolarHBondContact O-N 3.34Å; C73-G125 WeakPolarHBondContact O-CA 3.39Å; C73-A126 CarbonylContact C-O 3.59Å; C73-A126 WeakPolarHBondContact CA-O 3.45Å; C73-A126 WeakPolarHBondContact CB-O 3.36Å; C73-A126 PolarHBondContact N-O 2.91Å; C73-A126 PolarHBondContact O-N 3.33Å; C73-F128 HydrophobicContact CB-CD2 4.17Å; C73-F128 HydrophobicContact CB-CE2 3.75Å; C73-C148 HydrophobicContact CB-CB 3.54Å; C73-C148 WeakPolarHBondContact CB-SG 3.26Å; C73-C148 WeakPolarHBondContact SG-CB 3.43Å; C73-C148 CovalentContact SG-SG 2.02Å; C73-C148 PolarHBondContact SG-SG 3.36Å; C73-V150 WeakPolarHBondContact SG-CG2 3.47Å
74	H	95.5	Very high	90.1	Very high	34 Å²	34	46.8 Å²	46.8	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.7	-175.4	-75.7	-143.1	0	0	0	110.9	F23 E24 I26 A72 T124 N127	F23-H74 CarbonylContact C-O 3.56Å; F23-H74 VanDerWaalsContact CA-O 3.32Å; F23-H74 WeakPolarHBondContact CA-O 3.36Å; E24-H74 PolarHBondContact N-O 3.38Å; I26-H74 HydrophobicContact CD1-CB 3.97Å; A72-H74 VanDerWaalsContact C-N 3.34Å; A72-H74 PolarHBondContact O-N 2.75Å; H74-T124 CarbonylContact C-O 3.53Å; H74-T124 VanDerWaalsContact CA-O 3.23Å; H74-T124 WeakPolarHBondContact CA-O 3.2Å; H74-N127 PolarHBondContact NE2-ND2 2.73Å; H74-N127 PolarHBondContact NE2-OD1 3.5Å
75	V	94.2	Very high	91.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-123.6	164.8	176	-61.7	0	0	0	0	110.9	L21 K22 F23 T77 L82 T124 V150 I158	L21-V75 HydrophobicContact CD2-CB 4.21Å; L21-V75 HydrophobicContact CD2-CG1 4.36Å; L21-V75 HydrophobicContact CD2-CG2 3.89Å; K22-V75 CarbonylContact O-C 3.52Å; K22-V75 WeakPolarHBondContact O-CA 3.27Å; K22-V75 WeakPolarHBondContact O-CB 3.29Å; F23-V75 HydrophobicContact CD1-CG1 3.82Å; F23-V75 HydrophobicContact CE1-CG1 4.09Å; V75-T77 PolarHBondContact O-N 3.23Å; V75-L82 HydrophobicContact CG2-CD1 4.17Å; V75-L82 HydrophobicContact CG2-CD2 4.31Å; V75-T124 WeakPolarHBondContact CG2-O 3.41Å; V75-T124 PolarHBondContact N-O 3.37Å; V75-V150 HydrophobicContact CG1-CB 4Å; V75-V150 HydrophobicContact CG1-CG1 3.82Å; V75-V150 HydrophobicContact CG1-CG2 4.1Å; V75-V150 HydrophobicContact CG2-CG1 4.03Å; V75-I158 HydrophobicContact CG1-CD1 3.87Å
76	N	91.5	Very high	91.7	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.128	22%	0.218	C	C	.	.	S	Bend	trans	-50.7	138	168.7	61.4	-52.6	0	0	0	111.4	V18 Y20 K22 Q78	V18-N76 WeakPolarHBondContact CG2-ND2 3.4Å; Y20-N76 PolarHBondContact O-ND2 3.38Å; Y20-N76 PolarHBondContact O-OD1 3.28Å; K22-N76 PolarHBondContact N-OD1 3.02Å; K22-N76 PolarHBondContact O-N 3.17Å; K22-N76 PolarHBondContact O-OD1 2.66Å; N76-Q78 PolarHBondContact ND2-NE2 2.72Å; N76-Q78 PolarHBondContact O-N 3.35Å; N76-Q78 PolarHBondContact O-NE2 2.75Å; N76-Q78 PolarHBondContact OD1-NE2 3.02Å
77	T	90.4	Very high	92.2	Very high	57 Å²	57	37.4 Å²	37.4	35%	0.35	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-55.5	122.9	-175.6	-50.3	0	0	0	0	112.2	V75 T124	V75-T77 PolarHBondContact O-N 3.23Å; T77-T124 HydrophobicContact CG2-CG2 4.36Å
78	Q	88.3	Confident	92.3	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.065	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-92.1	150.4	-179.8	-59.9	-61.1	-60.3	0	0	112.1	V18 Y20 L21 N76 K80 L82 T123 T152	V18-Q78 PolarHBondContact O-OE1 2.69Å; Y20-Q78 PolarHBondContact O-NE2 3.47Å; Y20-Q78 VanDerWaalsContact O-NE2 3.07Å; L21-Q78 HydrophobicContact CD2-CG 4.12Å; N76-Q78 PolarHBondContact ND2-NE2 2.72Å; N76-Q78 PolarHBondContact O-N 3.35Å; N76-Q78 PolarHBondContact O-NE2 2.75Å; N76-Q78 PolarHBondContact OD1-NE2 3.02Å; Q78-K80 VanDerWaalsContact C-N 3.33Å; Q78-K80 VanDerWaalsContact CB-O 3.3Å; Q78-K80 WeakPolarHBondContact CB-O 3.24Å; Q78-L82 HydrophobicContact CG-CD2 3.73Å; Q78-L82 HydrophobicContact CG-CG 4.47Å; Q78-T123 PolarHBondContact N-O 3.2Å; Q78-T123 VanDerWaalsContact N-O 3.07Å; Q78-T152 HydrophobicContact CG-CG2 4.22Å
79	A	83.4	Confident	92.4	Very high	73 Å²	73	33.4 Å²	33.4	60%	0.603	18%	0.183	S	C	*	.	S	Bend	trans	-71.5	-30.7	173.3	0	0	0	0	0	113	S17	S17-A79 WeakPolarHBondContact OG-CB 3.13Å
80	K	86.1	Confident	92.3	Very high	165 Å²	165	34.4 Å²	34.4	72%	0.717	19%	0.187	S	C	*	.	S	Bend	trans	-115.8	151.3	-177.2	-64.8	-178	-178	178.6	0	108.5	Q78	Q78-K80 VanDerWaalsContact C-N 3.33Å; Q78-K80 VanDerWaalsContact CB-O 3.3Å; Q78-K80 WeakPolarHBondContact CB-O 3.24Å
81	P	89.3	Confident	91.9	Very high	72 Å²	72	36.3 Å²	36.3	47%	0.468	20%	0.201	S	C	.	.			trans	-51.9	143.3	169.8	-26.8	35.8	0	0	0	111.6	E122	P81-E122 CarbonylContact C-O 3.45Å; P81-E122 VanDerWaalsContact CA-O 3.29Å; P81-E122 WeakPolarHBondContact CA-O 3.32Å; P81-E122 HydrophobicContact CB-CB 4.29Å
82	L	91	Very high	91.4	Very high	20 Å²	20	38 Å²	38	11%	0.105	21%	0.214	C	C	.	.			trans	-69.7	125.4	173.9	-65.6	167.2	0	0	0	109.3	L21 V75 Q78 K84 V85 E122 V150 T152	L21-L82 HydrophobicContact CD2-CD2 3.86Å; V75-L82 HydrophobicContact CG2-CD1 4.17Å; V75-L82 HydrophobicContact CG2-CD2 4.31Å; Q78-L82 HydrophobicContact CG-CD2 3.73Å; Q78-L82 HydrophobicContact CG-CG 4.47Å; L82-K84 PolarHBondContact O-N 2.72Å; L82-V85 HydrophobicContact CB-CG2 3.95Å; L82-V85 HydrophobicContact CD1-CG2 3.69Å; L82-V85 HydrophobicContact CG-CG2 4.46Å; L82-E122 WeakPolarHBondContact CG-O 3.48Å; L82-E122 PolarHBondContact N-O 2.93Å; L82-V150 HydrophobicContact CD1-CG1 3.89Å; L82-V150 HydrophobicContact CD2-CG1 3.71Å; L82-V150 HydrophobicContact CG-CG1 4.35Å; L82-T152 HydrophobicContact CD2-CG2 3.86Å
83	D	88.9	Confident	90.8	Very high	105 Å²	105	39 Å²	39	56%	0.561	22%	0.22	S	C	*	.	S	Bend	trans	-65.8	-31.1	175.4	-80.9	1.8	0	0	0	111.9	Q102 G151 T152 D153	D83-Q102 PolarHBondContact O-NE2 3.05Å; D83-G151 PolarHBondContact N-O 2.87Å; D83-T152 VanDerWaalsContact CG-O 3.22Å; D83-D153 WeakPolarHBondContact OD2-CA 3.43Å
84	K	88	Confident	90	Very high	75 Å²	75	46.9 Å²	46.9	33%	0.326	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	124.1	-174.8	-169.2	174.8	-176	177.5	0	111.1	L82 I149 V150 G151	L82-K84 PolarHBondContact O-N 2.72Å; K84-I149 HydrophobicContact CD-CG2 4.1Å; K84-V150 CarbonylContact O-C 3.48Å; K84-V150 VanDerWaalsContact O-CA 3.26Å; K84-V150 WeakPolarHBondContact O-CA 3.42Å; K84-G151 PolarHBondContact N-O 3.39Å; K84-G151 PolarHBondContact O-N 3.31Å
85	V	92.8	Very high	89.5	Confident	13 Å²	13	47.3 Å²	47.3	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.3	160.2	-177.9	0	0	0	0	104.7	L82 Q102 P103 A126 F128 I149	L82-V85 HydrophobicContact CB-CG2 3.95Å; L82-V85 HydrophobicContact CD1-CG2 3.69Å; L82-V85 HydrophobicContact CG-CG2 4.46Å; V85-Q102 WeakPolarHBondContact O-CA 3.15Å; V85-Q102 WeakPolarHBondContact O-CG 3.3Å; V85-P103 HydrophobicContact CB-CG 4.49Å; V85-P103 HydrophobicContact CG1-CG 4.3Å; V85-P103 VanDerWaalsContact O-CD 3.26Å; V85-P103 WeakPolarHBondContact O-CD 3.33Å; V85-A126 HydrophobicContact CG1-CB 3.69Å; V85-F128 HydrophobicContact CG1-CZ 4.41Å; V85-I149 CarbonylContact C-O 3.6Å; V85-I149 WeakPolarHBondContact CA-O 3.45Å
86	S	93.5	Very high	88.7	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.3	-177.6	-57.7	0	0	0	0	111.9	V101 C148 I149	S86-V101 CarbonylContact C-O 3.51Å; S86-V101 WeakPolarHBondContact CA-O 3.26Å; S86-V101 WeakPolarHBondContact CB-O 3.04Å; S86-C148 CarbonylContact O-C 3.59Å; S86-C148 VanDerWaalsContact O-CA 3.23Å; S86-C148 WeakPolarHBondContact O-CA 3.48Å; S86-I149 PolarHBondContact N-O 2.92Å; S86-I149 PolarHBondContact O-N 2.85Å
87	L	95.2	Very high	88.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.6	163.8	-168.7	73.7	0	0	0	108.5	F71 C100 V101 F109 F116 F128 F146	F71-L87 HydrophobicContact CD1-CD1 3.91Å; F71-L87 HydrophobicContact CE1-CD1 4.09Å; L87-C100 WeakPolarHBondContact O-CA 2.96Å; L87-V101 PolarHBondContact N-O 3.3Å; L87-V101 PolarHBondContact O-N 3.31Å; L87-F109 HydrophobicContact CB-CE2 4.25Å; L87-F109 HydrophobicContact CB-CZ 3.69Å; L87-F109 HydrophobicContact CD2-CE2 3.92Å; L87-F109 HydrophobicContact CD2-CZ 3.56Å; L87-F109 HydrophobicContact CG-CZ 4.25Å; L87-F116 HydrophobicContact CD2-CD1 3.91Å; L87-F116 HydrophobicContact CD2-CD2 4.07Å; L87-F116 HydrophobicContact CD2-CE1 3.99Å; L87-F116 HydrophobicContact CD2-CE2 4.15Å; L87-F116 HydrophobicContact CD2-CG 3.94Å; L87-F116 HydrophobicContact CD2-CZ 4.11Å; L87-F128 HydrophobicContact CB-CD1 3.95Å; L87-F128 HydrophobicContact CB-CD2 4.47Å; L87-F128 HydrophobicContact CB-CE1 3.74Å; L87-F128 HydrophobicContact CB-CE2 4.27Å; L87-F128 HydrophobicContact CB-CG 4.31Å; L87-F128 HydrophobicContact CB-CZ 3.91Å; L87-F128 HydrophobicContact CD1-CB 4.47Å; L87-F128 HydrophobicContact CD1-CD2 3.94Å; L87-F128 HydrophobicContact CD1-CE2 4.3Å; L87-F128 HydrophobicContact CD1-CG 4.05Å; L87-F128 HydrophobicContact CD2-CB 4.4Å; L87-F128 HydrophobicContact CD2-CD1 4.22Å; L87-F128 HydrophobicContact CD2-CG 4.28Å; L87-F128 HydrophobicContact CG-CD1 4.46Å; L87-F128 HydrophobicContact CG-CG 4.45Å; L87-F146 HydrophobicContact CD1-CB 4.43Å; L87-F146 HydrophobicContact CD2-CD1 4.18Å
88	C	94.8	Very high	88.3	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.4	173	-61.9	0	0	0	0	110	T99 C100 F146 S147 I149	C88-T99 CarbonylContact C-O 3.54Å; C88-T99 VanDerWaalsContact CA-O 3.26Å; C88-T99 WeakPolarHBondContact CA-O 3.22Å; C88-C100 HydrophobicContact CB-CB 4.15Å; C88-C100 WeakPolarHBondContact CB-SG 3.08Å; C88-C100 WeakPolarHBondContact SG-CB 3.04Å; C88-C100 CovalentContact SG-SG 2.05Å; C88-C100 PolarHBondContact SG-SG 2.69Å; C88-F146 VanDerWaalsContact O-CA 3.26Å; C88-F146 WeakPolarHBondContact O-CA 2.9Å; C88-S147 PolarHBondContact N-O 3.24Å; C88-S147 PolarHBondContact O-N 3.23Å; C88-I149 WeakPolarHBondContact SG-CD1 3.43Å
89	C	94.6	Very high	88.4	Confident	4 Å²	4	66.9 Å²	66.9	3%	0.027	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.9	174.7	70.9	0	0	0	0	111.9	T99 C111 L112 L145 F146	C89-T99 PolarHBondContact N-O 3.19Å; C89-T99 PolarHBondContact O-N 3.36Å; C89-C111 HydrophobicContact CB-CB 3.86Å; C89-C111 WeakPolarHBondContact CB-SG 2.98Å; C89-C111 WeakPolarHBondContact SG-CB 3.48Å; C89-C111 CovalentContact SG-SG 2.02Å; C89-C111 PolarHBondContact SG-SG 3.5Å; C89-L112 HydrophobicContact CB-CD1 4Å; C89-L112 HydrophobicContact CB-CG 4.22Å; C89-L145 CarbonylContact C-O 3.58Å; C89-L145 VanDerWaalsContact CA-O 3.25Å; C89-L145 WeakPolarHBondContact CA-O 3.36Å; C89-F146 HydrophobicContact CB-CD1 3.63Å; C89-F146 HydrophobicContact CB-CE1 3.59Å
90	R	93.6	Very high	88.9	Confident	27 Å²	27	65.9 Å²	65.9	10%	0.102	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.3	170.6	63	175.5	179.2	147.4	3.1	111.4	V93 D95 K97 L112 L145 E162	R90-V93 PolarHBondContact NH1-O 2.63Å; R90-D95 WeakPolarHBondContact CD-O 3.3Å; R90-D95 PolarHBondContact NH1-O 2.67Å; R90-K97 WeakPolarHBondContact CB-O 3.5Å; R90-L112 WeakPolarHBondContact O-CD1 3.49Å; R90-L145 HydrophobicContact CG-CB 4.03Å; R90-L145 HydrophobicContact CG-CD1 4.3Å; R90-L145 PolarHBondContact N-O 2.86Å; R90-L145 PolarHBondContact O-N 2.78Å; R90-E162 IonicContact CZ-OE1 3.63Å; R90-E162 IonicContact CZ-OE2 3.5Å; R90-E162 IonicContact NE-OE1 2.68Å; R90-E162 PolarHBondContact NE-OE1 2.77Å; R90-E162 IonicContact NE-OE2 3.2Å; R90-E162 VanDerWaalsContact NH2-CD 3.3Å; R90-E162 IonicContact NH2-OE1 2.76Å; R90-E162 PolarHBondContact NH2-OE1 2.64Å; R90-E162 IonicContact NH2-OE2 3.42Å; R90-E162 PolarHBondContact NH2-OE2 3.08Å
91	S	89.8	Confident	89	Confident	62 Å²	62	59.8 Å²	59.8	43%	0.434	32%	0.319	S	S	.	.	S	Bend	trans	-70.8	-37.2	-169.6	65.1	0	0	0	0	113.5	D95	S91-D95 WeakPolarHBondContact OG-CB 3.12Å; S91-D95 PolarHBondContact OG-OD2 3.17Å
92	S	86.5	Confident	88.9	Confident	46 Å²	46	61.5 Å²	61.5	32%	0.322	32%	0.321	S	S	.	.	S	Bend	trans	-154.5	168.5	-176.6	70.2	0	0	0	0	111.5	E94 D95	S92-E94 PolarHBondContact O-N 2.79Å; S92-D95 WeakPolarHBondContact O-CB 3.46Å; S92-D95 PolarHBondContact O-N 3.33Å; S92-D95 VanDerWaalsContact O-N 3.13Å; S92-D95 PolarHBondContact OG-N 3.08Å
93	V	82.8	Confident	88.3	Confident	22 Å²	22	61.1 Å²	61.1	13%	0.133	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.5	178.3	179.8	0	0	0	0	111.8	R90 L145 H513 S514	R90-V93 PolarHBondContact NH1-O 2.63Å; V93-L145 HydrophobicContact CG2-CD1 4.18Å; V93-L145 HydrophobicContact CG2-CD2 3.71Å; V93-H513 WeakPolarHBondContact CG1-CE1 3.26Å; V93-S514 WeakPolarHBondContact CG1-O 3.21Å
94	E	80.9	Confident	87.6	Confident	164 Å²	164	64.9 Å²	64.9	77%	0.766	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.9	179	-62.2	175.3	-178.4	0	0	112.8	S92 T96	S92-E94 PolarHBondContact O-N 2.79Å; E94-T96 PolarHBondContact O-N 3.22Å
95	D	83.5	Confident	87.2	Confident	43 Å²	43	64.2 Å²	64.2	23%	0.23	34%	0.343	C	S	.	.			trans	-75	115.6	178.4	-165.2	-4.6	0	0	0	109.9	R90 S91 S92 K97	R90-D95 WeakPolarHBondContact CD-O 3.3Å; R90-D95 PolarHBondContact NH1-O 2.67Å; S91-D95 WeakPolarHBondContact OG-CB 3.12Å; S91-D95 PolarHBondContact OG-OD2 3.17Å; S92-D95 WeakPolarHBondContact O-CB 3.46Å; S92-D95 PolarHBondContact O-N 3.33Å; S92-D95 VanDerWaalsContact O-N 3.13Å; S92-D95 PolarHBondContact OG-N 3.08Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact OD1-N 3.33Å
96	T	77.8	Confident	87	Confident	136 Å²	136	71.3 Å²	71.3	83%	0.834	38%	0.375	S	S	*	.			trans	-80.2	-18	176.9	53.9	0	0	0	0	112.1	E94	E94-T96 PolarHBondContact O-N 3.22Å
97	K	84	Confident	86.9	Confident	164 Å²	164	72.4 Å²	72.4	71%	0.713	39%	0.387	S	S	*	.			trans	-86	119.4	179	-67.9	-177.2	-179.5	177.8	0	109.7	R90 D95	R90-K97 WeakPolarHBondContact CB-O 3.5Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact OD1-N 3.33Å
98	R	89	Confident	86.6	Confident	119 Å²	119	75.8 Å²	75.8	45%	0.449	41%	0.408	S	S	.	.			trans	-109.3	139.3	170.7	65.6	-179.5	-178.9	179.3	-0.1	110.7	E159	R98-E159 IonicContact CZ-OE2 2.81Å; R98-E159 IonicContact NH1-OE1 2.98Å; R98-E159 PolarHBondContact NH1-OE1 3.4Å; R98-E159 IonicContact NH1-OE2 3.21Å; R98-E159 PolarHBondContact NH1-OE2 2.97Å
99	T	91.9	Very high	86.4	Confident	87 Å²	87	76.8 Å²	76.8	53%	0.534	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.1	170.6	-60.1	0	0	0	0	107.9	C88 C89	C88-T99 CarbonylContact C-O 3.54Å; C88-T99 VanDerWaalsContact CA-O 3.26Å; C88-T99 WeakPolarHBondContact CA-O 3.22Å; C89-T99 PolarHBondContact N-O 3.19Å; C89-T99 PolarHBondContact O-N 3.36Å
100	C	92	Very high	86.1	Confident	52 Å²	52	80.1 Å²	80.1	35%	0.351	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.4	178.6	-58	0	0	0	0	110.2	L87 C88	L87-C100 WeakPolarHBondContact O-CA 2.96Å; C88-C100 HydrophobicContact CB-CB 4.15Å; C88-C100 WeakPolarHBondContact CB-SG 3.08Å; C88-C100 WeakPolarHBondContact SG-CB 3.04Å; C88-C100 CovalentContact SG-SG 2.05Å; C88-C100 PolarHBondContact SG-SG 2.69Å
101	V	90.1	Very high	85.8	Confident	37 Å²	37	79 Å²	79	22%	0.224	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.1	179.1	-175.4	0	0	0	0	109	S86 L87 P103 F109	S86-V101 CarbonylContact C-O 3.51Å; S86-V101 WeakPolarHBondContact CA-O 3.26Å; S86-V101 WeakPolarHBondContact CB-O 3.04Å; L87-V101 PolarHBondContact N-O 3.3Å; L87-V101 PolarHBondContact O-N 3.31Å; V101-P103 WeakPolarHBondContact O-CD 3.31Å; V101-F109 HydrophobicContact CB-CD2 3.79Å; V101-F109 HydrophobicContact CB-CE2 3.98Å; V101-F109 HydrophobicContact CB-CG 4.18Å; V101-F109 HydrophobicContact CG1-CB 3.87Å; V101-F109 HydrophobicContact CG1-CD1 4.13Å; V101-F109 HydrophobicContact CG1-CD2 3.79Å; V101-F109 HydrophobicContact CG1-CE2 4.37Å; V101-F109 HydrophobicContact CG1-CG 3.66Å; V101-F109 HydrophobicContact CG2-CD2 3.83Å; V101-F109 HydrophobicContact CG2-CE2 4.2Å
102	Q	85.8	Confident	85.7	Confident	109 Å²	109	78.9 Å²	78.9	51%	0.509	43%	0.426	S	S	.	.			trans	-96.2	113.5	177.8	177	159.5	7.3	0	0	110.1	D83 V85	D83-Q102 PolarHBondContact O-NE2 3.05Å; V85-Q102 WeakPolarHBondContact O-CA 3.15Å; V85-Q102 WeakPolarHBondContact O-CG 3.3Å
103	P	78	Confident	85.6	Confident	11 Å²	11	82.5 Å²	82.5	7%	0.071	44%	0.441	C	S	.	.			trans	-66.2	149.2	169.6	26.6	-38.2	0	0	0	112.9	V85 V101 F118 A120 A126 F128	V85-P103 HydrophobicContact CB-CG 4.49Å; V85-P103 HydrophobicContact CG1-CG 4.3Å; V85-P103 VanDerWaalsContact O-CD 3.26Å; V85-P103 WeakPolarHBondContact O-CD 3.33Å; V101-P103 WeakPolarHBondContact O-CD 3.31Å; P103-F118 HydrophobicContact CB-CD1 4.31Å; P103-F118 HydrophobicContact CB-CD2 3.14Å; P103-F118 HydrophobicContact CB-CE1 4.31Å; P103-F118 HydrophobicContact CB-CE2 3.16Å; P103-F118 HydrophobicContact CB-CG 3.73Å; P103-F118 HydrophobicContact CB-CZ 3.78Å; P103-F118 HydrophobicContact CG-CD2 4.29Å; P103-A120 HydrophobicContact CB-CB 4.39Å; P103-A120 HydrophobicContact CG-CB 4.46Å; P103-A126 HydrophobicContact CG-CB 4.4Å; P103-F128 HydrophobicContact CG-CE1 4.05Å; P103-F128 HydrophobicContact CG-CZ 4.11Å
104	E	75.2	Confident	85.6	Confident	185 Å²	185	81.7 Å²	81.7	86%	0.864	44%	0.436	S	S	*	.			trans	-93.2	-63	172.3	-67.7	-176.8	170.2	0	0	111.9
105	A	78.8	Confident	86	Confident	61 Å²	61	79.1 Å²	79.1	50%	0.504	43%	0.425	S	S	.	.	S	Bend	trans	-141.2	-76.3	178.6	0	0	0	0	0	111.9	A120	A105-A120 WeakPolarHBondContact O-CB 3.44Å; A105-A120 PolarHBondContact O-N 3.46Å
106	E	88.6	Confident	86.3	Confident	162 Å²	162	77.5 Å²	77.5	76%	0.757	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.7	171.8	-169.7	177.6	-178.8	0	0	108.7	F118	E106-F118 WeakPolarHBondContact CA-O 3.36Å; E106-F118 WeakPolarHBondContact CG-O 3.31Å
107	G	91.2	Very high	87.1	Confident	27 Å²	27	75.6 Å²	75.6	28%	0.278	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-163	178.9	0	0	0	0	0	113.7	H117 F118	G107-H117 WeakPolarHBondContact O-CA 3.37Å; G107-F118 PolarHBondContact N-O 2.58Å; G107-F118 VanDerWaalsContact O-CD1 3.22Å; G107-F118 WeakPolarHBondContact O-CD1 3.41Å; G107-F118 WeakPolarHBondContact O-CE1 3.36Å; G107-F118 PolarHBondContact O-N 3.34Å
108	T	90.3	Very high	87.5	Confident	72 Å²	72	68.8 Å²	68.8	44%	0.442	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.1	172.8	65.4	0	0	0	0	111.2	E115 F116 H117	T108-E115 VanDerWaalsContact CB-OE1 3.31Å; T108-E115 WeakPolarHBondContact CB-OE1 3.04Å; T108-E115 WeakPolarHBondContact CG2-OE1 3.11Å; T108-E115 PolarHBondContact OG1-OE1 3.22Å; T108-E115 VanDerWaalsContact OG1-OE1 3.1Å; T108-F116 WeakPolarHBondContact CA-O 3.36Å; T108-H117 VanDerWaalsContact CG2-CE1 3.47Å; T108-H117 WeakPolarHBondContact CG2-CE1 3.42Å; T108-H117 WeakPolarHBondContact CG2-ND1 3.33Å
109	F	90.2	Very high	87.7	Confident	22 Å²	22	66.1 Å²	66.1	10%	0.096	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.9	169.2	66.3	-91.6	0	0	0	110.4	L87 V101 C111 E115 F116 F118 F128	L87-F109 HydrophobicContact CB-CE2 4.25Å; L87-F109 HydrophobicContact CB-CZ 3.69Å; L87-F109 HydrophobicContact CD2-CE2 3.92Å; L87-F109 HydrophobicContact CD2-CZ 3.56Å; L87-F109 HydrophobicContact CG-CZ 4.25Å; V101-F109 HydrophobicContact CB-CD2 3.79Å; V101-F109 HydrophobicContact CB-CE2 3.98Å; V101-F109 HydrophobicContact CB-CG 4.18Å; V101-F109 HydrophobicContact CG1-CB 3.87Å; V101-F109 HydrophobicContact CG1-CD1 4.13Å; V101-F109 HydrophobicContact CG1-CD2 3.79Å; V101-F109 HydrophobicContact CG1-CE2 4.37Å; V101-F109 HydrophobicContact CG1-CG 3.66Å; V101-F109 HydrophobicContact CG2-CD2 3.83Å; V101-F109 HydrophobicContact CG2-CE2 4.2Å; F109-C111 HydrophobicContact CD2-CB 4.41Å; F109-C111 HydrophobicContact CE2-CB 4.16Å; F109-E115 WeakPolarHBondContact O-CA 3.19Å; F109-F116 HydrophobicContact CD1-CB 4.44Å; F109-F116 HydrophobicContact CE1-CB 3.92Å; F109-F116 HydrophobicContact CE2-CB 4.05Å; F109-F116 HydrophobicContact CE2-CD2 4.12Å; F109-F116 HydrophobicContact CE2-CG 4.33Å; F109-F116 HydrophobicContact CZ-CB 3.69Å; F109-F116 HydrophobicContact CZ-CD2 4.42Å; F109-F116 HydrophobicContact CZ-CG 4.17Å; F109-F116 PolarHBondContact N-O 2.68Å; F109-F116 PolarHBondContact O-N 3.22Å; F109-F118 AromaticContact CD1-CD1 3.4Å; F109-F118 HydrophobicContact CD1-CD1 3.4Å; F109-F118 AromaticContact CD1-CE1 3.69Å; F109-F118 HydrophobicContact CD1-CE1 3.69Å; F109-F118 HydrophobicContact CD1-CG 4.39Å; F109-F118 HydrophobicContact CE1-CB 4.33Å; F109-F118 AromaticContact CE1-CD1 3.67Å; F109-F118 HydrophobicContact CE1-CD1 3.67Å; F109-F118 HydrophobicContact CE1-CE1 4.36Å; F109-F118 HydrophobicContact CE1-CG 4.28Å; F109-F128 AromaticContact CE1-CD1 3.82Å; F109-F128 HydrophobicContact CE1-CD1 3.82Å; F109-F128 AromaticContact CE1-CE1 3.89Å; F109-F128 HydrophobicContact CE1-CE1 3.89Å; F109-F128 AromaticContact CZ-CD1 3.89Å; F109-F128 HydrophobicContact CZ-CD1 3.89Å; F109-F128 HydrophobicContact CZ-CE1 4.08Å
110	S	88	Confident	87.6	Confident	75 Å²	75	63.2 Å²	63.2	52%	0.524	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.1	175.8	-166.8	0	0	0	0	111.7	T114	S110-T114 CarbonylContact C-O 3.59Å; S110-T114 VanDerWaalsContact CA-O 3.26Å; S110-T114 WeakPolarHBondContact CA-O 3.23Å
111	C	88.3	Confident	87.6	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.027	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.7	171.5	-137.9	0	0	0	0	108.3	C89 F109 N113 T114 F116	C89-C111 HydrophobicContact CB-CB 3.86Å; C89-C111 WeakPolarHBondContact CB-SG 2.98Å; C89-C111 WeakPolarHBondContact SG-CB 3.48Å; C89-C111 CovalentContact SG-SG 2.02Å; C89-C111 PolarHBondContact SG-SG 3.5Å; F109-C111 HydrophobicContact CD2-CB 4.41Å; F109-C111 HydrophobicContact CE2-CB 4.16Å; C111-N113 VanDerWaalsContact C-N 3.25Å; C111-N113 PolarHBondContact O-N 2.97Å; C111-T114 PolarHBondContact N-O 3.33Å; C111-T114 WeakPolarHBondContact O-CA 3.22Å; C111-T114 WeakPolarHBondContact O-CB 3.41Å; C111-T114 PolarHBondContact O-N 3.04Å; C111-F116 HydrophobicContact CB-CD2 4.48Å; C111-F116 HydrophobicContact CB-CE2 4.4Å
112	L	87.3	Confident	87.5	Confident	59 Å²	59	69.2 Å²	69.2	31%	0.309	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	43.1	-173.7	-58.9	169.5	0	0	0	113.4	C89 R90 T114	C89-L112 HydrophobicContact CB-CD1 4Å; C89-L112 HydrophobicContact CB-CG 4.22Å; R90-L112 WeakPolarHBondContact O-CD1 3.49Å; L112-T114 PolarHBondContact O-N 3.12Å; L112-T114 VanDerWaalsContact O-N 3.15Å
113	N	83	Confident	87.8	Confident	122 Å²	122	66.1 Å²	66.1	65%	0.652	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	15.7	-175.2	-49.8	-50.2	0	0	0	115	C111 N140	C111-N113 VanDerWaalsContact C-N 3.25Å; C111-N113 PolarHBondContact O-N 2.97Å; N113-N140 HydrophobicContact CB-CB 4.44Å
114	T	84.2	Confident	88.4	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.025	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.1	176.7	-60.6	0	0	0	0	109.5	S110 C111 L112 F116 I130 I142	S110-T114 CarbonylContact C-O 3.59Å; S110-T114 VanDerWaalsContact CA-O 3.26Å; S110-T114 WeakPolarHBondContact CA-O 3.23Å; C111-T114 PolarHBondContact N-O 3.33Å; C111-T114 WeakPolarHBondContact O-CA 3.22Å; C111-T114 WeakPolarHBondContact O-CB 3.41Å; C111-T114 PolarHBondContact O-N 3.04Å; L112-T114 PolarHBondContact O-N 3.12Å; L112-T114 VanDerWaalsContact O-N 3.15Å; T114-F116 HydrophobicContact CG2-CD2 3.93Å; T114-F116 HydrophobicContact CG2-CE2 3.37Å; T114-F116 HydrophobicContact CG2-CZ 3.81Å; T114-I130 HydrophobicContact CG2-CD1 3.25Å; T114-I130 HydrophobicContact CG2-CG1 4.2Å; T114-I142 HydrophobicContact CG2-CG1 4.18Å; T114-I142 HydrophobicContact CG2-CG2 3.72Å
115	E	88	Confident	89.3	Confident	111 Å²	111	58 Å²	58	52%	0.519	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.4	175.9	-166.6	175.8	167.4	0	0	110.7	T108 F109	T108-E115 VanDerWaalsContact CB-OE1 3.31Å; T108-E115 WeakPolarHBondContact CB-OE1 3.04Å; T108-E115 WeakPolarHBondContact CG2-OE1 3.11Å; T108-E115 PolarHBondContact OG1-OE1 3.22Å; T108-E115 VanDerWaalsContact OG1-OE1 3.1Å; F109-E115 WeakPolarHBondContact O-CA 3.19Å
116	F	91.4	Very high	90.1	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128	174.4	-73.7	-92.1	0	0	0	109.4	L87 T108 F109 C111 T114 F128 I130 F146 I165	L87-F116 HydrophobicContact CD2-CD1 3.91Å; L87-F116 HydrophobicContact CD2-CD2 4.07Å; L87-F116 HydrophobicContact CD2-CE1 3.99Å; L87-F116 HydrophobicContact CD2-CE2 4.15Å; L87-F116 HydrophobicContact CD2-CG 3.94Å; L87-F116 HydrophobicContact CD2-CZ 4.11Å; T108-F116 WeakPolarHBondContact CA-O 3.36Å; F109-F116 HydrophobicContact CD1-CB 4.44Å; F109-F116 HydrophobicContact CE1-CB 3.92Å; F109-F116 HydrophobicContact CE2-CB 4.05Å; F109-F116 HydrophobicContact CE2-CD2 4.12Å; F109-F116 HydrophobicContact CE2-CG 4.33Å; F109-F116 HydrophobicContact CZ-CB 3.69Å; F109-F116 HydrophobicContact CZ-CD2 4.42Å; F109-F116 HydrophobicContact CZ-CG 4.17Å; F109-F116 PolarHBondContact N-O 2.68Å; F109-F116 PolarHBondContact O-N 3.22Å; C111-F116 HydrophobicContact CB-CD2 4.48Å; C111-F116 HydrophobicContact CB-CE2 4.4Å; T114-F116 HydrophobicContact CG2-CD2 3.93Å; T114-F116 HydrophobicContact CG2-CE2 3.37Å; T114-F116 HydrophobicContact CG2-CZ 3.81Å; F116-F128 HydrophobicContact CD1-CB 4.34Å; F116-I130 HydrophobicContact CD1-CB 4.25Å; F116-I130 HydrophobicContact CE1-CB 4.17Å; F116-I130 HydrophobicContact CE1-CG2 4.35Å; F116-F146 AromaticContact CE2-CD1 3.99Å; F116-F146 HydrophobicContact CE2-CD1 3.99Å; F116-F146 AromaticContact CE2-CE1 3.42Å; F116-F146 HydrophobicContact CE2-CE1 3.42Å; F116-F146 VanDerWaalsContact CE2-CE1 3.42Å; F116-F146 HydrophobicContact CE2-CZ 4.03Å; F116-F146 AromaticContact CZ-CD1 3.65Å; F116-F146 HydrophobicContact CZ-CD1 3.65Å; F116-F146 AromaticContact CZ-CE1 3.37Å; F116-F146 HydrophobicContact CZ-CE1 3.37Å; F116-F146 HydrophobicContact CZ-CE2 4.39Å; F116-F146 HydrophobicContact CZ-CG 4.27Å; F116-F146 AromaticContact CZ-CZ 3.78Å; F116-F146 HydrophobicContact CZ-CZ 3.78Å; F116-I165 HydrophobicContact CZ-CD1 4.45Å
117	H	93.5	Very high	90.4	Very high	96 Å²	96	49.7 Å²	49.7	44%	0.444	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.7	161.4	-64.1	-85.3	0	0	0	108.6	G107 T108 F128 S129	G107-H117 WeakPolarHBondContact O-CA 3.37Å; T108-H117 VanDerWaalsContact CG2-CE1 3.47Å; T108-H117 WeakPolarHBondContact CG2-CE1 3.42Å; T108-H117 WeakPolarHBondContact CG2-ND1 3.33Å; H117-F128 CarbonylContact O-C 3.57Å; H117-F128 WeakPolarHBondContact O-CA 3.44Å; H117-S129 PolarHBondContact N-O 3.31Å; H117-S129 PolarHBondContact O-N 2.97Å
118	F	93.2	Very high	90.7	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.096	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.3	174.4	66.4	-90.1	0	0	0	111.9	P103 E106 G107 F109 N127 F128	P103-F118 HydrophobicContact CB-CD1 4.31Å; P103-F118 HydrophobicContact CB-CD2 3.14Å; P103-F118 HydrophobicContact CB-CE1 4.31Å; P103-F118 HydrophobicContact CB-CE2 3.16Å; P103-F118 HydrophobicContact CB-CG 3.73Å; P103-F118 HydrophobicContact CB-CZ 3.78Å; P103-F118 HydrophobicContact CG-CD2 4.29Å; E106-F118 WeakPolarHBondContact CA-O 3.36Å; E106-F118 WeakPolarHBondContact CG-O 3.31Å; G107-F118 PolarHBondContact N-O 2.58Å; G107-F118 VanDerWaalsContact O-CD1 3.22Å; G107-F118 WeakPolarHBondContact O-CD1 3.41Å; G107-F118 WeakPolarHBondContact O-CE1 3.36Å; G107-F118 PolarHBondContact O-N 3.34Å; F109-F118 AromaticContact CD1-CD1 3.4Å; F109-F118 HydrophobicContact CD1-CD1 3.4Å; F109-F118 AromaticContact CD1-CE1 3.69Å; F109-F118 HydrophobicContact CD1-CE1 3.69Å; F109-F118 HydrophobicContact CD1-CG 4.39Å; F109-F118 HydrophobicContact CE1-CB 4.33Å; F109-F118 AromaticContact CE1-CD1 3.67Å; F109-F118 HydrophobicContact CE1-CD1 3.67Å; F109-F118 HydrophobicContact CE1-CE1 4.36Å; F109-F118 HydrophobicContact CE1-CG 4.28Å; F118-N127 WeakPolarHBondContact CA-O 3.47Å; F118-F128 HydrophobicContact CB-CD1 3.8Å; F118-F128 HydrophobicContact CB-CE1 4.02Å
119	S	92.6	Very high	90.9	Very high	62 Å²	62	45.9 Å²	45.9	43%	0.434	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	116.7	169.4	173.4	0	0	0	0	107	A126 N127	S119-A126 CarbonylContact O-C 3.47Å; S119-A126 WeakPolarHBondContact O-CA 3.27Å; S119-N127 PolarHBondContact N-O 2.04Å; S119-N127 PolarHBondContact O-N 3.35Å
120	A	90.8	Very high	91	Very high	27 Å²	27	45 Å²	45	22%	0.223	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.9	-176.8	0	0	0	0	0	110.7	P103 A105 G125 A126	P103-A120 HydrophobicContact CB-CB 4.39Å; P103-A120 HydrophobicContact CG-CB 4.46Å; A105-A120 WeakPolarHBondContact O-CB 3.44Å; A105-A120 PolarHBondContact O-N 3.46Å; A120-G125 CarbonylContact C-O 3.6Å; A120-G125 WeakPolarHBondContact CA-O 3.44Å; A120-A126 HydrophobicContact CB-CB 3.83Å
121	D	90.4	Very high	91	Very high	74 Å²	74	43.7 Å²	43.7	40%	0.396	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	168.4	174.6	-89.5	0	0	0	108	T123 T124 G125	D121-T123 PolarHBondContact O-N 3.42Å; D121-T123 WeakPolarHBondContact OD1-CA 3.14Å; D121-T123 PolarHBondContact OD1-N 3.43Å; D121-T123 PolarHBondContact OD1-OG1 2.83Å; D121-T124 VanDerWaalsContact CB-OG1 3.25Å; D121-T124 WeakPolarHBondContact CB-OG1 3.48Å; D121-T124 PolarHBondContact O-N 3.24Å; D121-T124 PolarHBondContact OD1-N 3.43Å; D121-T124 PolarHBondContact OD1-OG1 3.11Å; D121-G125 PolarHBondContact N-O 3.39Å; D121-G125 PolarHBondContact O-N 2.63Å; D121-G125 VanDerWaalsContact O-N 3.1Å; D121-G125 VanDerWaalsContact O-O 3.05Å
122	E	89.3	Confident	90.8	Very high	141 Å²	141	44.2 Å²	44.2	66%	0.659	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.2	-172.9	-65.8	-177.4	179.4	0	0	113.2	P81 L82	P81-E122 CarbonylContact C-O 3.45Å; P81-E122 VanDerWaalsContact CA-O 3.29Å; P81-E122 WeakPolarHBondContact CA-O 3.32Å; P81-E122 HydrophobicContact CB-CB 4.29Å; L82-E122 WeakPolarHBondContact CG-O 3.48Å; L82-E122 PolarHBondContact N-O 2.93Å
123	T	91	Very high	90.3	Very high	43 Å²	43	46.1 Å²	46.1	26%	0.264	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-15.7	-172.1	64.2	0	0	0	0	114.7	Q78 D121	Q78-T123 PolarHBondContact N-O 3.2Å; Q78-T123 VanDerWaalsContact N-O 3.07Å; D121-T123 PolarHBondContact O-N 3.42Å; D121-T123 WeakPolarHBondContact OD1-CA 3.14Å; D121-T123 PolarHBondContact OD1-N 3.43Å; D121-T123 PolarHBondContact OD1-OG1 2.83Å
124	T	92	Very high	89.2	Confident	26 Å²	26	46 Å²	46	16%	0.16	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-17.5	-173.7	57.5	0	0	0	0	113.9	H74 V75 T77 D121	H74-T124 CarbonylContact C-O 3.53Å; H74-T124 VanDerWaalsContact CA-O 3.23Å; H74-T124 WeakPolarHBondContact CA-O 3.2Å; V75-T124 WeakPolarHBondContact CG2-O 3.41Å; V75-T124 PolarHBondContact N-O 3.37Å; T77-T124 HydrophobicContact CG2-CG2 4.36Å; D121-T124 VanDerWaalsContact CB-OG1 3.25Å; D121-T124 WeakPolarHBondContact CB-OG1 3.48Å; D121-T124 PolarHBondContact O-N 3.24Å; D121-T124 PolarHBondContact OD1-N 3.43Å; D121-T124 PolarHBondContact OD1-OG1 3.11Å
125	G	94.1	Very high	87.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.5	-145.3	176.4	0	0	0	0	0	112.9	C73 A120 D121	C73-G125 WeakPolarHBondContact O-CA 3.39Å; A120-G125 CarbonylContact C-O 3.6Å; A120-G125 WeakPolarHBondContact CA-O 3.44Å; D121-G125 PolarHBondContact N-O 3.39Å; D121-G125 PolarHBondContact O-N 2.63Å; D121-G125 VanDerWaalsContact O-N 3.1Å; D121-G125 VanDerWaalsContact O-O 3.05Å
126	A	94.7	Very high	86.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.4	-175.5	0	0	0	0	0	114.4	C73 V85 P103 S119 A120 F128	C73-A126 CarbonylContact C-O 3.59Å; C73-A126 WeakPolarHBondContact CA-O 3.45Å; C73-A126 WeakPolarHBondContact CB-O 3.36Å; C73-A126 PolarHBondContact N-O 2.91Å; C73-A126 PolarHBondContact O-N 3.33Å; V85-A126 HydrophobicContact CG1-CB 3.69Å; P103-A126 HydrophobicContact CG-CB 4.4Å; S119-A126 CarbonylContact O-C 3.47Å; S119-A126 WeakPolarHBondContact O-CA 3.27Å; A120-A126 HydrophobicContact CB-CB 3.83Å; A126-F128 HydrophobicContact CB-CE1 4.45Å; A126-F128 HydrophobicContact CB-CE2 4.02Å; A126-F128 HydrophobicContact CB-CZ 3.86Å
127	N	95.7	Very high	84.7	Confident	48 Å²	48	55.8 Å²	55.8	26%	0.257	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	165.8	-75.2	-54.3	0	0	0	110.1	T70 A72 H74 F118 S119	T70-N127 HydrophobicContact CG2-CB 4.27Å; A72-N127 VanDerWaalsContact CA-OD1 3.26Å; A72-N127 WeakPolarHBondContact CA-OD1 3.35Å; A72-N127 WeakPolarHBondContact CB-OD1 3.07Å; H74-N127 PolarHBondContact NE2-ND2 2.73Å; H74-N127 PolarHBondContact NE2-OD1 3.5Å; F118-N127 WeakPolarHBondContact CA-O 3.47Å; S119-N127 PolarHBondContact N-O 2.04Å; S119-N127 PolarHBondContact O-N 3.35Å
128	F	95.6	Very high	83.4	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.1	172.6	-57.4	-79.7	0	0	0	109.3	T70 F71 C73 V85 L87 P103 F109 F116 H117 F118 A126 C148	T70-F128 CarbonylContact C-O 3.55Å; T70-F128 WeakPolarHBondContact CA-O 3.47Å; F71-F128 HydrophobicContact CD1-CD2 4.41Å; F71-F128 PolarHBondContact N-O 3.48Å; F71-F128 PolarHBondContact O-N 3.06Å; C73-F128 HydrophobicContact CB-CD2 4.17Å; C73-F128 HydrophobicContact CB-CE2 3.75Å; V85-F128 HydrophobicContact CG1-CZ 4.41Å; L87-F128 HydrophobicContact CB-CD1 3.95Å; L87-F128 HydrophobicContact CB-CD2 4.47Å; L87-F128 HydrophobicContact CB-CE1 3.74Å; L87-F128 HydrophobicContact CB-CE2 4.27Å; L87-F128 HydrophobicContact CB-CG 4.31Å; L87-F128 HydrophobicContact CB-CZ 3.91Å; L87-F128 HydrophobicContact CD1-CB 4.47Å; L87-F128 HydrophobicContact CD1-CD2 3.94Å; L87-F128 HydrophobicContact CD1-CE2 4.3Å; L87-F128 HydrophobicContact CD1-CG 4.05Å; L87-F128 HydrophobicContact CD2-CB 4.4Å; L87-F128 HydrophobicContact CD2-CD1 4.22Å; L87-F128 HydrophobicContact CD2-CG 4.28Å; L87-F128 HydrophobicContact CG-CD1 4.46Å; L87-F128 HydrophobicContact CG-CG 4.45Å; P103-F128 HydrophobicContact CG-CE1 4.05Å; P103-F128 HydrophobicContact CG-CZ 4.11Å; F109-F128 AromaticContact CE1-CD1 3.82Å; F109-F128 HydrophobicContact CE1-CD1 3.82Å; F109-F128 AromaticContact CE1-CE1 3.89Å; F109-F128 HydrophobicContact CE1-CE1 3.89Å; F109-F128 AromaticContact CZ-CD1 3.89Å; F109-F128 HydrophobicContact CZ-CD1 3.89Å; F109-F128 HydrophobicContact CZ-CE1 4.08Å; F116-F128 HydrophobicContact CD1-CB 4.34Å; H117-F128 CarbonylContact O-C 3.57Å; H117-F128 WeakPolarHBondContact O-CA 3.44Å; F118-F128 HydrophobicContact CB-CD1 3.8Å; F118-F128 HydrophobicContact CB-CE1 4.02Å; A126-F128 HydrophobicContact CB-CE1 4.45Å; A126-F128 HydrophobicContact CB-CE2 4.02Å; A126-F128 HydrophobicContact CB-CZ 3.86Å; F128-C148 HydrophobicContact CE2-CB 4.39Å
129	S	95.1	Very high	82.4	Confident	17 Å²	17	58.1 Å²	58.1	12%	0.119	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.5	-178.8	-70.5	0	0	0	0	111.7	L69 T70 H117	L69-S129 CarbonylContact O-C 3.58Å; L69-S129 VanDerWaalsContact O-CA 3.27Å; L69-S129 WeakPolarHBondContact O-CA 3.44Å; T70-S129 PolarHBondContact OG1-OG 2.73Å; H117-S129 PolarHBondContact N-O 3.31Å; H117-S129 PolarHBondContact O-N 2.97Å
130	I	92.5	Very high	82	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.7	169.1	-175.8	-178.2	0	0	0	108.8	F58 K68 L69 T114 F116 I142	F58-I130 HydrophobicContact CZ-CG2 4.02Å; K68-I130 WeakPolarHBondContact CA-O 3.45Å; L69-I130 HydrophobicContact CB-CG2 3.7Å; L69-I130 HydrophobicContact CD2-CG2 4.25Å; L69-I130 HydrophobicContact CG-CG2 4.37Å; L69-I130 PolarHBondContact N-O 3.45Å; L69-I130 PolarHBondContact O-N 3.2Å; T114-I130 HydrophobicContact CG2-CD1 3.25Å; T114-I130 HydrophobicContact CG2-CG1 4.2Å; F116-I130 HydrophobicContact CD1-CB 4.25Å; F116-I130 HydrophobicContact CE1-CB 4.17Å; F116-I130 HydrophobicContact CE1-CG2 4.35Å; I130-I142 HydrophobicContact CD1-CB 4.24Å; I130-I142 HydrophobicContact CD1-CD1 3.5Å; I130-I142 HydrophobicContact CD1-CG1 3.89Å; I130-I142 HydrophobicContact CD1-CG2 3.4Å; I130-I142 VanDerWaalsContact CD1-CG2 3.4Å; I130-I142 HydrophobicContact CG1-CD1 4.35Å
131	S	88.4	Confident	81.8	Confident	47 Å²	47	58.8 Å²	58.8	33%	0.329	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.1	179.4	-59.5	0	0	0	0	110.9	L67 T133	L67-S131 CarbonylContact O-C 3.48Å; L67-S131 WeakPolarHBondContact O-CA 3.45Å; S131-T133 PolarHBondContact O-N 3.36Å
132	L	84.8	Confident	81.5	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.073	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	95.3	165	-76.1	179.5	0	0	0	108.5	F58 K61 G66 L67 L138 I142 V169	F58-L132 HydrophobicContact CB-CD1 4.02Å; F58-L132 HydrophobicContact CD1-CD1 3.31Å; F58-L132 HydrophobicContact CD1-CG 3.99Å; F58-L132 HydrophobicContact CE1-CD1 3.92Å; F58-L132 HydrophobicContact CE1-CG 4.07Å; F58-L132 HydrophobicContact CG-CD1 3.83Å; K61-L132 HydrophobicContact CD-CB 4.36Å; K61-L132 VanDerWaalsContact NZ-C 3.28Å; K61-L132 PolarHBondContact NZ-O 3.43Å; G66-L132 VanDerWaalsContact CA-O 3.31Å; G66-L132 WeakPolarHBondContact CA-O 3.36Å; L67-L132 HydrophobicContact CB-CB 4.29Å; L67-L132 HydrophobicContact CD1-CD1 4.33Å; L67-L132 PolarHBondContact N-O 2.8Å; L67-L132 PolarHBondContact O-N 3.08Å; L132-L138 HydrophobicContact CD2-CD1 3.44Å; L132-L138 VanDerWaalsContact CD2-CD1 3.44Å; L132-L138 HydrophobicContact CD2-CG 4.23Å; L132-I142 HydrophobicContact CD2-CD1 3.44Å; L132-I142 VanDerWaalsContact CD2-CD1 3.44Å; L132-I142 HydrophobicContact CG-CD1 4Å; L132-V169 HydrophobicContact CD1-CB 4.48Å
133	T	75.9	Confident	81.4	Confident	99 Å²	99	50.5 Å²	50.5	61%	0.607	30%	0.301	S	S	*	.			trans	-87.4	172.7	177.5	60.6	0	0	0	0	112.8	K61 S131 D135	K61-T133 VanDerWaalsContact NZ-C 3.27Å; K61-T133 PolarHBondContact NZ-O 2.89Å; S131-T133 PolarHBondContact O-N 3.36Å; T133-D135 PolarHBondContact O-N 3.38Å
134	Q	59.4	Low	81.5	Confident	120 Å²	120	48.7 Å²	48.7	56%	0.561	29%	0.291	S	S	*	.	S	Bend	trans	-60.6	-37.9	-160.9	-168.6	176.5	-18.1	0	0	115.9
135	D	55.7	Low	81.6	Confident	144 Å²	144	47.7 Å²	47.7	77%	0.77	29%	0.285	S	S	*	.	S	Bend	trans	-113.4	-3.1	-156.9	-64	-36.5	0	0	0	115.6	T133 L137	T133-D135 PolarHBondContact O-N 3.38Å; D135-L137 PolarHBondContact O-N 3.47Å
136	G	54.9	Low	81.7	Confident	53 Å²	53	47.9 Å²	47.9	55%	0.546	29%	0.286	S	S	.	.			trans	-90.4	105.8	178.4	0	0	0	0	0	111.9	L138	G136-L138 VanDerWaalsContact C-N 3.29Å; G136-L138 PolarHBondContact O-N 3.17Å
137	L	58.2	Low	81.7	Confident	132 Å²	132	48.1 Å²	48.1	69%	0.691	29%	0.287	S	S	*	.			trans	-62.5	102.6	149.5	-101.8	127.3	0	0	0	105.9	D135 S139	D135-L137 PolarHBondContact O-N 3.47Å; L137-S139 PolarHBondContact O-N 2.92Å
138	L	67.4	Low	81.7	Confident	65 Å²	65	45.8 Å²	45.8	34%	0.34	28%	0.275	S	S	.	.			trans	-55.4	132.2	171.1	-72.9	175.1	0	0	0	108.4	L132 G136 N140 I142 F170	L132-L138 HydrophobicContact CD2-CD1 3.44Å; L132-L138 VanDerWaalsContact CD2-CD1 3.44Å; L132-L138 HydrophobicContact CD2-CG 4.23Å; G136-L138 VanDerWaalsContact C-N 3.29Å; G136-L138 PolarHBondContact O-N 3.17Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 WeakPolarHBondContact CB-O 3.32Å; L138-I142 HydrophobicContact CD1-CD1 3.63Å; L138-I142 HydrophobicContact CD1-CG1 3.86Å; L138-F170 HydrophobicContact CB-CD2 4.08Å; L138-F170 WeakPolarHBondContact O-CE2 3.43Å
139	S	72.9	Confident	81.6	Confident	101 Å²	101	45.9 Å²	45.9	71%	0.706	28%	0.275	S	S	*	.	S	Bend	trans	-72.9	-26.4	174	49.8	0	0	0	0	111.7	L137	L137-S139 PolarHBondContact O-N 2.92Å
140	N	82.8	Confident	81.5	Confident	71 Å²	71	45 Å²	45	38%	0.38	27%	0.269	S	S	.	.	S	Bend	trans	-136.8	149.4	-179.4	-63	-68.2	0	0	0	110.2	N113 L138	N113-N140 HydrophobicContact CB-CB 4.44Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 WeakPolarHBondContact CB-O 3.32Å
141	P	86.7	Confident	81.5	Confident	33 Å²	33	44.8 Å²	44.8	21%	0.214	27%	0.268	C	S	.	.			trans	-66.3	144.8	174.8	26.5	-29	0	0	0	110.5	S143 D167 F170 Y171	P141-S143 PolarHBondContact O-N 2.77Å; P141-S143 VanDerWaalsContact O-N 3.1Å; P141-D167 HydrophobicContact CB-CB 4.31Å; P141-F170 HydrophobicContact CB-CB 4.09Å; P141-F170 HydrophobicContact CB-CD1 3.48Å; P141-F170 VanDerWaalsContact CB-CD1 3.48Å; P141-F170 HydrophobicContact CB-CD2 4.44Å; P141-F170 HydrophobicContact CB-CE1 3.91Å; P141-F170 HydrophobicContact CB-CG 3.76Å; P141-F170 VanDerWaalsContact CD-CE1 3.47Å; P141-F170 HydrophobicContact CG-CD1 3.97Å; P141-F170 HydrophobicContact CG-CE1 3.86Å; P141-F170 HydrophobicContact CG-CZ 4.43Å; P141-Y171 HydrophobicContact CB-CE2 4.19Å
142	I	84.3	Confident	81.4	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.036	26%	0.263	C	S	.	.			trans	-75.7	96.7	165.3	-61.1	155.4	0	0	0	107.3	T114 I130 L132 L138 I165 D167	T114-I142 HydrophobicContact CG2-CG1 4.18Å; T114-I142 HydrophobicContact CG2-CG2 3.72Å; I130-I142 HydrophobicContact CD1-CB 4.24Å; I130-I142 HydrophobicContact CD1-CD1 3.5Å; I130-I142 HydrophobicContact CD1-CG1 3.89Å; I130-I142 HydrophobicContact CD1-CG2 3.4Å; I130-I142 VanDerWaalsContact CD1-CG2 3.4Å; I130-I142 HydrophobicContact CG1-CD1 4.35Å; L132-I142 HydrophobicContact CD2-CD1 3.44Å; L132-I142 VanDerWaalsContact CD2-CD1 3.44Å; L132-I142 HydrophobicContact CG-CD1 4Å; L138-I142 HydrophobicContact CD1-CD1 3.63Å; L138-I142 HydrophobicContact CD1-CG1 3.86Å; I142-I165 HydrophobicContact CG2-CG2 3.72Å; I142-D167 HydrophobicContact CB-CB 4.1Å; I142-D167 PolarHBondContact N-OD2 2.95Å; I142-D167 WeakPolarHBondContact O-CB 3.5Å; I142-D167 PolarHBondContact O-N 2.74Å
143	S	88.2	Confident	81.2	Confident	33 Å²	33	45.5 Å²	45.5	23%	0.231	27%	0.27	C	S	.	.			trans	-145.3	138.7	179.2	-63.3	0	0	0	0	111.7	P141 I165	P141-S143 PolarHBondContact O-N 2.77Å; P141-S143 VanDerWaalsContact O-N 3.1Å; S143-I165 WeakPolarHBondContact CA-O 3.38Å
144	G	92.4	Very high	81.3	Confident	6 Å²	6	48 Å²	48	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	179.1	-179.2	0	0	0	0	0	112.2	F146 E164 I165	G144-F146 WeakPolarHBondContact O-CE2 3.17Å; G144-E164 WeakPolarHBondContact O-CA 3.45Å; G144-I165 PolarHBondContact N-O 2.76Å; G144-I165 PolarHBondContact O-N 2.99Å
145	L	94.4	Very high	82.1	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.2	173	-58.8	102.9	0	0	0	109.7	C89 R90 V93 E162 I163 E164	C89-L145 CarbonylContact C-O 3.58Å; C89-L145 VanDerWaalsContact CA-O 3.25Å; C89-L145 WeakPolarHBondContact CA-O 3.36Å; R90-L145 HydrophobicContact CG-CB 4.03Å; R90-L145 HydrophobicContact CG-CD1 4.3Å; R90-L145 PolarHBondContact N-O 2.86Å; R90-L145 PolarHBondContact O-N 2.78Å; V93-L145 HydrophobicContact CG2-CD1 4.18Å; V93-L145 HydrophobicContact CG2-CD2 3.71Å; L145-E162 HydrophobicContact CB-CB 4.47Å; L145-E162 HydrophobicContact CB-CG 4.3Å; L145-E162 HydrophobicContact CD2-CB 4.32Å; L145-E162 WeakPolarHBondContact CD2-OE2 3.47Å; L145-I163 CarbonylContact C-O 3.6Å; L145-I163 WeakPolarHBondContact CA-O 3.24Å; L145-E164 HydrophobicContact CD2-CB 4.38Å; L145-E164 HydrophobicContact CG-CB 4.41Å; L145-E164 HydrophobicContact CG-CG 4.36Å
146	F	95.1	Very high	83.4	Confident	4 Å²	4	37 Å²	37	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.2	-176.4	-56.8	-89.3	0	0	0	109.6	L87 C88 C89 F116 G144 E162 I163 I165	L87-F146 HydrophobicContact CD1-CB 4.43Å; L87-F146 HydrophobicContact CD2-CD1 4.18Å; C88-F146 VanDerWaalsContact O-CA 3.26Å; C88-F146 WeakPolarHBondContact O-CA 2.9Å; C89-F146 HydrophobicContact CB-CD1 3.63Å; C89-F146 HydrophobicContact CB-CE1 3.59Å; F116-F146 AromaticContact CE2-CD1 3.99Å; F116-F146 HydrophobicContact CE2-CD1 3.99Å; F116-F146 AromaticContact CE2-CE1 3.42Å; F116-F146 HydrophobicContact CE2-CE1 3.42Å; F116-F146 VanDerWaalsContact CE2-CE1 3.42Å; F116-F146 HydrophobicContact CE2-CZ 4.03Å; F116-F146 AromaticContact CZ-CD1 3.65Å; F116-F146 HydrophobicContact CZ-CD1 3.65Å; F116-F146 AromaticContact CZ-CE1 3.37Å; F116-F146 HydrophobicContact CZ-CE1 3.37Å; F116-F146 HydrophobicContact CZ-CE2 4.39Å; F116-F146 HydrophobicContact CZ-CG 4.27Å; F116-F146 AromaticContact CZ-CZ 3.78Å; F116-F146 HydrophobicContact CZ-CZ 3.78Å; G144-F146 WeakPolarHBondContact O-CE2 3.17Å; F146-E162 CarbonylContact O-C 3.6Å; F146-E162 WeakPolarHBondContact O-CA 3.29Å; F146-I163 PolarHBondContact N-O 2.75Å; F146-I163 PolarHBondContact O-N 3Å; F146-I165 HydrophobicContact CD2-CB 4.39Å; F146-I165 HydrophobicContact CD2-CD1 3.65Å; F146-I165 HydrophobicContact CD2-CG1 3.8Å; F146-I165 HydrophobicContact CE2-CB 3.98Å; F146-I165 HydrophobicContact CE2-CD1 3.58Å; F146-I165 HydrophobicContact CE2-CG1 3.82Å; F146-I165 HydrophobicContact CZ-CD1 4.39Å
147	S	95.1	Very high	85	Confident	4 Å²	4	35 Å²	35	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	161.8	169.5	60.6	0	0	0	0	108.7	C88 E159	C88-S147 PolarHBondContact N-O 3.24Å; C88-S147 PolarHBondContact O-N 3.23Å; S147-E159 PolarHBondContact OG-OE1 2.9Å
148	C	95.4	Very high	86.6	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.9	172.2	78.7	0	0	0	0	111.6	F71 C73 S86 F128 E159 S160	F71-C148 HydrophobicContact CE1-CB 3.73Å; F71-C148 HydrophobicContact CZ-CB 4.1Å; C73-C148 HydrophobicContact CB-CB 3.54Å; C73-C148 WeakPolarHBondContact CB-SG 3.26Å; C73-C148 WeakPolarHBondContact SG-CB 3.43Å; C73-C148 CovalentContact SG-SG 2.02Å; C73-C148 PolarHBondContact SG-SG 3.36Å; S86-C148 CarbonylContact O-C 3.59Å; S86-C148 VanDerWaalsContact O-CA 3.23Å; S86-C148 WeakPolarHBondContact O-CA 3.48Å; F128-C148 HydrophobicContact CE2-CB 4.39Å; C148-E159 CarbonylContact O-C 3.57Å; C148-E159 WeakPolarHBondContact O-CA 3.38Å; C148-S160 PolarHBondContact N-OG 3.1Å; C148-S160 PolarHBondContact O-N 3.23Å
149	I	94.2	Very high	87.8	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	179	-63.2	-177.9	0	0	0	107.7	K84 V85 S86 C88 V157 I158 E159	K84-I149 HydrophobicContact CD-CG2 4.1Å; V85-I149 CarbonylContact C-O 3.6Å; V85-I149 WeakPolarHBondContact CA-O 3.45Å; S86-I149 PolarHBondContact N-O 2.92Å; S86-I149 PolarHBondContact O-N 2.85Å; C88-I149 WeakPolarHBondContact SG-CD1 3.43Å; I149-V157 HydrophobicContact CG2-CG1 3.24Å; I149-I158 WeakPolarHBondContact CA-O 3.43Å; I149-E159 HydrophobicContact CD1-CG 4.45Å; I149-E159 HydrophobicContact CG1-CB 4.15Å; I149-E159 HydrophobicContact CG1-CG 3.75Å
150	V	93.9	Very high	88.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.4	174.6	-176.7	0	0	0	0	108.8	L21 F23 C73 V75 L82 K84 V157 I158	L21-V150 HydrophobicContact CD1-CG1 4.47Å; L21-V150 HydrophobicContact CD2-CG1 4.16Å; F23-V150 HydrophobicContact CE1-CG2 4.01Å; C73-V150 WeakPolarHBondContact SG-CG2 3.47Å; V75-V150 HydrophobicContact CG1-CB 4Å; V75-V150 HydrophobicContact CG1-CG1 3.82Å; V75-V150 HydrophobicContact CG1-CG2 4.1Å; V75-V150 HydrophobicContact CG2-CG1 4.03Å; L82-V150 HydrophobicContact CD1-CG1 3.89Å; L82-V150 HydrophobicContact CD2-CG1 3.71Å; L82-V150 HydrophobicContact CG-CG1 4.35Å; K84-V150 CarbonylContact O-C 3.48Å; K84-V150 VanDerWaalsContact O-CA 3.26Å; K84-V150 WeakPolarHBondContact O-CA 3.42Å; V150-V157 CarbonylContact O-C 3.36Å; V150-V157 WeakPolarHBondContact O-CA 3.33Å; V150-I158 HydrophobicContact CB-CG1 4.36Å; V150-I158 PolarHBondContact N-O 3.37Å; V150-I158 PolarHBondContact O-N 2.93Å
151	G	91	Very high	89.5	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.6	-179.3	0	0	0	0	0	113.2	D83 K84 N156	D83-G151 PolarHBondContact N-O 2.87Å; K84-G151 PolarHBondContact N-O 3.39Å; K84-G151 PolarHBondContact O-N 3.31Å; G151-N156 WeakPolarHBondContact CA-O 3.26Å
152	T	86.7	Confident	89.8	Confident	34 Å²	34	18.7 Å²	18.7	21%	0.209	10%	0.099	C	C	.	.	S	Bend	trans	-98.6	-17.9	171.4	48.2	0	0	0	0	112.6	L21 Q78 L82 D83 N156	L21-T152 HydrophobicContact CD1-CG2 4.18Å; L21-T152 HydrophobicContact CD2-CG2 3.93Å; L21-T152 HydrophobicContact CG-CG2 4.11Å; Q78-T152 HydrophobicContact CG-CG2 4.22Å; L82-T152 HydrophobicContact CD2-CG2 3.86Å; D83-T152 VanDerWaalsContact CG-O 3.22Å; T152-N156 PolarHBondContact N-O 3.06Å; T152-N156 VanDerWaalsContact N-O 3.07Å; T152-N156 WeakPolarHBondContact OG1-CB 3.45Å
153	D	81	Confident	90.4	Very high	42 Å²	42	18.5 Å²	18.5	23%	0.225	10%	0.098	C	C	.	.	S	Bend	trans	-159.5	-176.1	165.4	69.4	14.7	0	0	0	109.2	D83 L155 N156 V157 K472	D83-D153 WeakPolarHBondContact OD2-CA 3.43Å; D153-L155 PolarHBondContact O-N 2.75Å; D153-L155 WeakPolarHBondContact OD1-CA 3.37Å; D153-L155 PolarHBondContact OD1-N 2.73Å; D153-N156 WeakPolarHBondContact OD1-CB 3.32Å; D153-N156 PolarHBondContact OD1-N 3.06Å; D153-N156 PolarHBondContact OD1-ND2 2.77Å; D153-N156 PolarHBondContact OD2-ND2 2.78Å; D153-V157 WeakPolarHBondContact O-CG2 3.42Å; D153-K472 IonicContact OD2-NZ 2.7Å; D153-K472 PolarHBondContact OD2-NZ 2.78Å
154	E	77.2	Confident	90.6	Very high	151 Å²	151	18.2 Å²	18.2	71%	0.706	9%	0.094	S	C	*	.	S	Bend	trans	-62.6	-18.6	179.5	-63.9	-175.1	163.5	0	0	114.8
155	L	76.4	Confident	90.7	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.058	9%	0.092	C	C	.	.	S	Bend	trans	-106.7	-23.8	-176.1	-62.2	-170.2	0	0	0	113.9	D153 A450 L468 K472 L475	D153-L155 PolarHBondContact O-N 2.75Å; D153-L155 WeakPolarHBondContact OD1-CA 3.37Å; D153-L155 PolarHBondContact OD1-N 2.73Å; L155-A450 HydrophobicContact CB-CB 4.3Å; L155-A450 HydrophobicContact CD2-CB 3.69Å; L155-L468 HydrophobicContact CD2-CD1 4.33Å; L155-L468 HydrophobicContact CD2-CD2 4.05Å; L155-K472 HydrophobicContact CD1-CB 4.5Å; L155-K472 HydrophobicContact CD1-CD 3.31Å; L155-K472 HydrophobicContact CD1-CG 4.45Å; L155-K472 HydrophobicContact CG-CD 4.13Å; L155-L475 HydrophobicContact CD1-CD2 4.22Å; L155-L475 HydrophobicContact CD2-CD2 4.09Å
156	N	83.4	Confident	90.6	Very high	23 Å²	23	18.1 Å²	18.1	12%	0.123	9%	0.091	C	C	.	.	S	Bend	trans	-105.7	78.9	179	-63.1	-84.5	0	0	0	107.8	L21 G151 T152 D153 K526	L21-N156 VanDerWaalsContact CD1-O 3.23Å; L21-N156 WeakPolarHBondContact CD1-O 3.41Å; G151-N156 WeakPolarHBondContact CA-O 3.26Å; T152-N156 PolarHBondContact N-O 3.06Å; T152-N156 VanDerWaalsContact N-O 3.07Å; T152-N156 WeakPolarHBondContact OG1-CB 3.45Å; D153-N156 WeakPolarHBondContact OD1-CB 3.32Å; D153-N156 PolarHBondContact OD1-N 3.06Å; D153-N156 PolarHBondContact OD1-ND2 2.77Å; D153-N156 PolarHBondContact OD2-ND2 2.78Å; N156-K526 PolarHBondContact OD1-NZ 3.27Å
157	V	88.5	Confident	90.5	Very high	9 Å²	9	18 Å²	18	6%	0.055	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.4	-178	-178.3	0	0	0	0	108.4	I149 V150 D153 E507	I149-V157 HydrophobicContact CG2-CG1 3.24Å; V150-V157 CarbonylContact O-C 3.36Å; V150-V157 WeakPolarHBondContact O-CA 3.33Å; D153-V157 WeakPolarHBondContact O-CG2 3.42Å; V157-E507 WeakPolarHBondContact O-CG 3.48Å
158	I	91.7	Very high	90.2	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147	171.7	58.9	169.2	0	0	0	110.2	L21 F23 V75 I149 V150 E507	L21-I158 HydrophobicContact CB-CD1 3.71Å; L21-I158 HydrophobicContact CB-CG1 3.87Å; L21-I158 HydrophobicContact CB-CG2 4.11Å; L21-I158 HydrophobicContact CD1-CG1 4.34Å; F23-I158 HydrophobicContact CD1-CD1 3.97Å; F23-I158 HydrophobicContact CD2-CD1 3.83Å; F23-I158 HydrophobicContact CE1-CD1 3.86Å; F23-I158 HydrophobicContact CE1-CG1 4.15Å; F23-I158 HydrophobicContact CE2-CB 4.15Å; F23-I158 HydrophobicContact CE2-CD1 3.7Å; F23-I158 HydrophobicContact CE2-CG1 3.94Å; F23-I158 HydrophobicContact CG-CD1 3.96Å; F23-I158 HydrophobicContact CZ-CB 4.29Å; F23-I158 HydrophobicContact CZ-CD1 3.72Å; F23-I158 HydrophobicContact CZ-CG1 3.71Å; V75-I158 HydrophobicContact CG1-CD1 3.87Å; I149-I158 WeakPolarHBondContact CA-O 3.43Å; V150-I158 HydrophobicContact CB-CG1 4.36Å; V150-I158 PolarHBondContact N-O 3.37Å; V150-I158 PolarHBondContact O-N 2.93Å; I158-E507 HydrophobicContact CG2-CG 4.04Å
159	E	93.5	Very high	89.9	Confident	28 Å²	28	18.3 Å²	18.3	13%	0.131	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.4	179.2	-174.1	178.5	148.9	0	0	110.2	R98 S147 C148 I149 R520	R98-E159 IonicContact CZ-OE2 2.81Å; R98-E159 IonicContact NH1-OE1 2.98Å; R98-E159 PolarHBondContact NH1-OE1 3.4Å; R98-E159 IonicContact NH1-OE2 3.21Å; R98-E159 PolarHBondContact NH1-OE2 2.97Å; S147-E159 PolarHBondContact OG-OE1 2.9Å; C148-E159 CarbonylContact O-C 3.57Å; C148-E159 WeakPolarHBondContact O-CA 3.38Å; I149-E159 HydrophobicContact CD1-CG 4.45Å; I149-E159 HydrophobicContact CG1-CB 4.15Å; I149-E159 HydrophobicContact CG1-CG 3.75Å; E159-R520 VanDerWaalsContact CG-NH1 3.29Å; E159-R520 WeakPolarHBondContact O-CD 3.5Å; E159-R520 IonicContact OE1-CZ 3.05Å; E159-R520 IonicContact OE1-NH1 3.72Å; E159-R520 PolarHBondContact OE1-NH1 3.18Å; E159-R520 IonicContact OE1-NH2 3.76Å; E159-R520 IonicContact OE2-CZ 3.87Å; E159-R520 IonicContact OE2-NH1 3.03Å; E159-R520 IonicContact OE2-NH2 2.88Å; E159-R520 PolarHBondContact OE2-NH2 3.27Å
160	S	95.2	Very high	89.6	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.014	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-69.6	165	178.9	77.9	0	0	0	0	111.8	C148 R520	C148-S160 PolarHBondContact N-OG 3.1Å; C148-S160 PolarHBondContact O-N 3.23Å; S160-R520 PolarHBondContact O-NH1 3.28Å
161	N	94.8	Very high	89.3	Confident	13 Å²	13	20.9 Å²	20.9	7%	0.07	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-63.6	157.4	159	-77.6	-66.1	0	0	0	111	A50 N51 S519 R520	A50-N161 PolarHBondContact O-ND2 3.33Å; N51-N161 VanDerWaalsContact C-ND2 3.27Å; N51-N161 PolarHBondContact O-ND2 3.17Å; N161-S519 VanDerWaalsContact OD1-CA 3.28Å; N161-S519 WeakPolarHBondContact OD1-CA 3.41Å; N161-R520 PolarHBondContact ND2-O 3.06Å; N161-R520 VanDerWaalsContact ND2-O 3.07Å; N161-R520 PolarHBondContact OD1-N 2.81Å
162	E	94.2	Very high	89.1	Confident	9 Å²	9	21.8 Å²	21.8	4%	0.042	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-76.6	151.3	-179.4	-82.7	174.3	167.7	0	0	112.3	Q53 R54 R90 L145 F146 Q518	Q53-E162 VanDerWaalsContact CA-O 3.24Å; Q53-E162 WeakPolarHBondContact CA-O 3.48Å; Q53-E162 HydrophobicContact CG-CB 4.27Å; Q53-E162 WeakPolarHBondContact CG-O 3.28Å; R54-E162 PolarHBondContact N-O 2.99Å; R90-E162 IonicContact CZ-OE1 3.63Å; R90-E162 IonicContact CZ-OE2 3.5Å; R90-E162 IonicContact NE-OE1 2.68Å; R90-E162 PolarHBondContact NE-OE1 2.77Å; R90-E162 IonicContact NE-OE2 3.2Å; R90-E162 VanDerWaalsContact NH2-CD 3.3Å; R90-E162 IonicContact NH2-OE1 2.76Å; R90-E162 PolarHBondContact NH2-OE1 2.64Å; R90-E162 IonicContact NH2-OE2 3.42Å; R90-E162 PolarHBondContact NH2-OE2 3.08Å; L145-E162 HydrophobicContact CB-CB 4.47Å; L145-E162 HydrophobicContact CB-CG 4.3Å; L145-E162 HydrophobicContact CD2-CB 4.32Å; L145-E162 WeakPolarHBondContact CD2-OE2 3.47Å; F146-E162 CarbonylContact O-C 3.6Å; F146-E162 WeakPolarHBondContact O-CA 3.29Å; E162-Q518 PolarHBondContact OE1-NE2 2.9Å; E162-Q518 PolarHBondContact OE2-NE2 3.38Å
163	I	95.3	Very high	88.9	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.9	166.8	-61.6	165.7	0	0	0	106.5	L46 R54 V56 F71 L145 F146 I165	L46-I163 HydrophobicContact CB-CD1 4.34Å; L46-I163 HydrophobicContact CD1-CD1 3.84Å; L46-I163 HydrophobicContact CD1-CG1 4.23Å; L46-I163 HydrophobicContact CD1-CG2 4.08Å; R54-I163 CarbonylContact O-C 3.56Å; R54-I163 WeakPolarHBondContact O-CA 3.25Å; V56-I163 HydrophobicContact CG2-CG2 3.83Å; F71-I163 HydrophobicContact CB-CD1 4.11Å; F71-I163 HydrophobicContact CD1-CD1 3.82Å; F71-I163 HydrophobicContact CD2-CD1 3.3Å; F71-I163 HydrophobicContact CE1-CD1 3.99Å; F71-I163 HydrophobicContact CE2-CD1 3.52Å; F71-I163 HydrophobicContact CG-CD1 3.47Å; F71-I163 VanDerWaalsContact CG-CD1 3.47Å; F71-I163 HydrophobicContact CZ-CD1 3.86Å; L145-I163 CarbonylContact C-O 3.6Å; L145-I163 WeakPolarHBondContact CA-O 3.24Å; F146-I163 PolarHBondContact N-O 2.75Å; F146-I163 PolarHBondContact O-N 3Å; I163-I165 HydrophobicContact CG2-CG1 4.26Å
164	E	94	Very high	89	Confident	28 Å²	28	25.6 Å²	25.6	13%	0.131	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.7	171.7	-172.3	-174.6	169.7	0	0	109.2	R54 I55 V56 G144 L145 R166	R54-E164 PolarHBondContact O-N 3.25Å; I55-E164 CarbonylContact C-O 3.59Å; I55-E164 WeakPolarHBondContact CA-O 3.26Å; I55-E164 HydrophobicContact CG1-CB 4.11Å; I55-E164 HydrophobicContact CG2-CB 4.43Å; V56-E164 PolarHBondContact N-O 3.26Å; G144-E164 WeakPolarHBondContact O-CA 3.45Å; L145-E164 HydrophobicContact CD2-CB 4.38Å; L145-E164 HydrophobicContact CG-CB 4.41Å; L145-E164 HydrophobicContact CG-CG 4.36Å; E164-R166 VanDerWaalsContact CD-NE 3.3Å; E164-R166 VanDerWaalsContact CD-NH2 3.25Å; E164-R166 HydrophobicContact CG-CG 4.36Å; E164-R166 IonicContact OE1-CZ 3.83Å; E164-R166 IonicContact OE1-NE 2.71Å; E164-R166 PolarHBondContact OE1-NE 3.07Å; E164-R166 IonicContact OE1-NH2 2.81Å; E164-R166 PolarHBondContact OE1-NH2 3.36Å; E164-R166 IonicContact OE2-CZ 2.78Å; E164-R166 IonicContact OE2-NE 3.43Å; E164-R166 IonicContact OE2-NH2 3.33Å; E164-R166 PolarHBondContact OE2-NH2 2.95Å
165	I	94.3	Very high	89.4	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.8	174.4	-58.2	179.3	0	0	0	109.1	F58 L69 F116 I142 S143 G144 F146 I163	F58-I165 HydrophobicContact CD2-CG2 3.71Å; F58-I165 HydrophobicContact CE2-CG2 3.54Å; L69-I165 HydrophobicContact CD2-CD1 3.77Å; L69-I165 HydrophobicContact CD2-CG1 4.14Å; F116-I165 HydrophobicContact CZ-CD1 4.45Å; I142-I165 HydrophobicContact CG2-CG2 3.72Å; S143-I165 WeakPolarHBondContact CA-O 3.38Å; G144-I165 PolarHBondContact N-O 2.76Å; G144-I165 PolarHBondContact O-N 2.99Å; F146-I165 HydrophobicContact CD2-CB 4.39Å; F146-I165 HydrophobicContact CD2-CD1 3.65Å; F146-I165 HydrophobicContact CD2-CG1 3.8Å; F146-I165 HydrophobicContact CE2-CB 3.98Å; F146-I165 HydrophobicContact CE2-CD1 3.58Å; F146-I165 HydrophobicContact CE2-CG1 3.82Å; F146-I165 HydrophobicContact CZ-CD1 4.39Å; I163-I165 HydrophobicContact CG2-CG1 4.26Å
166	R	92.3	Very high	89.5	Confident	5 Å²	5	23.8 Å²	23.8	2%	0.019	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112.3	177	-66.7	179.2	179.7	-177.5	3.3	109.8	I55 V56 Y57 F58 E164 A168 Y210 W211	I55-R166 HydrophobicContact CG2-CG 4.38Å; V56-R166 PolarHBondContact O-N 2.97Å; Y57-R166 WeakPolarHBondContact CA-O 3.47Å; Y57-R166 HydrophobicContact CD1-CB 3.73Å; Y57-R166 HydrophobicContact CD1-CG 4.48Å; Y57-R166 HydrophobicContact CE1-CB 3.98Å; Y57-R166 HydrophobicContact CE1-CG 4.27Å; Y57-R166 HydrophobicContact CG-CB 4.43Å; Y57-R166 PolarHBondContact OH-NH1 2.85Å; F58-R166 PolarHBondContact N-O 2.83Å; E164-R166 VanDerWaalsContact CD-NE 3.3Å; E164-R166 VanDerWaalsContact CD-NH2 3.25Å; E164-R166 HydrophobicContact CG-CG 4.36Å; E164-R166 IonicContact OE1-CZ 3.83Å; E164-R166 IonicContact OE1-NE 2.71Å; E164-R166 PolarHBondContact OE1-NE 3.07Å; E164-R166 IonicContact OE1-NH2 2.81Å; E164-R166 PolarHBondContact OE1-NH2 3.36Å; E164-R166 IonicContact OE2-CZ 2.78Å; E164-R166 IonicContact OE2-NE 3.43Å; E164-R166 IonicContact OE2-NH2 3.33Å; E164-R166 PolarHBondContact OE2-NH2 2.95Å; R166-A168 PolarHBondContact O-N 3.39Å; R166-Y210 PolarHBondContact NH2-OH 3.18Å; R166-W211 HydrophobicContact CB-CD2 4.3Å; R166-W211 HydrophobicContact CB-CE3 4.27Å; R166-W211 HydrophobicContact CB-CH2 3.87Å; R166-W211 HydrophobicContact CB-CZ2 3.84Å; R166-W211 HydrophobicContact CB-CZ3 4.05Å; R166-W211 HydrophobicContact CG-CD2 4.17Å; R166-W211 HydrophobicContact CG-CZ2 4.2Å
167	D	91.7	Very high	89.3	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	83.6	-177	-176.2	-0.6	0	0	0	111.7	P141 I142 V169 F170 Y171	P141-D167 HydrophobicContact CB-CB 4.31Å; I142-D167 HydrophobicContact CB-CB 4.1Å; I142-D167 PolarHBondContact N-OD2 2.95Å; I142-D167 WeakPolarHBondContact O-CB 3.5Å; I142-D167 PolarHBondContact O-N 2.74Å; D167-V169 VanDerWaalsContact C-N 3.31Å; D167-V169 PolarHBondContact OD1-N 2.95Å; D167-F170 HydrophobicContact CB-CB 4.36Å; D167-F170 VanDerWaalsContact CG-CB 3.49Å; D167-F170 PolarHBondContact OD1-N 2.87Å; D167-F170 WeakPolarHBondContact OD2-CB 3.39Å; D167-Y171 WeakPolarHBondContact O-CD2 3.27Å; D167-Y171 WeakPolarHBondContact O-CE2 3.48Å
168	A	89.6	Confident	89.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-33.3	176.4	0	0	0	0	0	111.8	F58 R166 F170 Y171 I172 W211 M212 L215	F58-A168 WeakPolarHBondContact O-CA 3.43Å; F58-A168 VanDerWaalsContact O-CB 3.26Å; F58-A168 WeakPolarHBondContact O-CB 3.22Å; F58-A168 PolarHBondContact O-N 2.73Å; R166-A168 PolarHBondContact O-N 3.39Å; A168-F170 VanDerWaalsContact C-N 3.3Å; A168-F170 PolarHBondContact O-N 2.77Å; A168-Y171 PolarHBondContact O-N 2.89Å; A168-I172 HydrophobicContact CB-CD1 4.11Å; A168-I172 WeakPolarHBondContact O-CB 3.38Å; A168-I172 WeakPolarHBondContact O-CD1 3.44Å; A168-I172 VanDerWaalsContact O-CG1 3.31Å; A168-I172 WeakPolarHBondContact O-CG1 3.1Å; A168-I172 PolarHBondContact O-N 3.04Å; A168-W211 HydrophobicContact CB-CH2 4.45Å; A168-W211 HydrophobicContact CB-CZ3 4.09Å; A168-M212 HydrophobicContact CB-SD 3.98Å; A168-L215 HydrophobicContact CB-CD1 3.45Å; A168-L215 VanDerWaalsContact CB-CD1 3.45Å
169	V	88.8	Confident	89.2	Confident	11 Å²	11	30.8 Å²	30.8	7%	0.067	16%	0.16	C	C	.	.	H	α-helix	trans	-54.9	-46	177.8	169.8	0	0	0	0	110.8	F58 K61 L67 L132 D167 Y171 I172 L173	F58-V169 HydrophobicContact CB-CG2 4.4Å; F58-V169 PolarHBondContact O-N 2.82Å; F58-V169 VanDerWaalsContact O-N 3.08Å; K61-V169 HydrophobicContact CB-CG1 4.25Å; K61-V169 HydrophobicContact CB-CG2 3.95Å; L67-V169 HydrophobicContact CD1-CG2 4.26Å; L132-V169 HydrophobicContact CD1-CB 4.48Å; D167-V169 VanDerWaalsContact C-N 3.31Å; D167-V169 PolarHBondContact OD1-N 2.95Å; V169-Y171 PolarHBondContact O-N 2.82Å; V169-I172 PolarHBondContact O-N 2.98Å; V169-L173 HydrophobicContact CG1-CD1 3.69Å; V169-L173 HydrophobicContact CG1-CG 4.13Å; V169-L173 WeakPolarHBondContact O-CB 3.34Å; V169-L173 VanDerWaalsContact O-CG 3.22Å; V169-L173 WeakPolarHBondContact O-CG 3.31Å; V169-L173 PolarHBondContact O-N 2.81Å
170	F	88.5	Confident	89.1	Confident	27 Å²	27	31.2 Å²	31.2	12%	0.118	17%	0.166	C	C	.	.	H	α-helix	trans	-55.6	-50.2	176.3	173.7	-94.5	0	0	0	112.6	L138 P141 D167 A168 L173 Q174	L138-F170 HydrophobicContact CB-CD2 4.08Å; L138-F170 WeakPolarHBondContact O-CE2 3.43Å; P141-F170 HydrophobicContact CB-CB 4.09Å; P141-F170 HydrophobicContact CB-CD1 3.48Å; P141-F170 VanDerWaalsContact CB-CD1 3.48Å; P141-F170 HydrophobicContact CB-CD2 4.44Å; P141-F170 HydrophobicContact CB-CE1 3.91Å; P141-F170 HydrophobicContact CB-CG 3.76Å; P141-F170 VanDerWaalsContact CD-CE1 3.47Å; P141-F170 HydrophobicContact CG-CD1 3.97Å; P141-F170 HydrophobicContact CG-CE1 3.86Å; P141-F170 HydrophobicContact CG-CZ 4.43Å; D167-F170 HydrophobicContact CB-CB 4.36Å; D167-F170 VanDerWaalsContact CG-CB 3.49Å; D167-F170 PolarHBondContact OD1-N 2.87Å; D167-F170 WeakPolarHBondContact OD2-CB 3.39Å; A168-F170 VanDerWaalsContact C-N 3.3Å; A168-F170 PolarHBondContact O-N 2.77Å; F170-L173 PolarHBondContact O-N 3.11Å; F170-Q174 PolarHBondContact O-N 2.96Å
171	Y	87.7	Confident	88.9	Confident	30 Å²	30	33.7 Å²	33.7	12%	0.118	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-38	-179.1	-64.2	-72.7	0	0	0	112.3	P141 D167 A168 V169 Q174 W208 P209 W211 M212	P141-Y171 HydrophobicContact CB-CE2 4.19Å; D167-Y171 WeakPolarHBondContact O-CD2 3.27Å; D167-Y171 WeakPolarHBondContact O-CE2 3.48Å; A168-Y171 PolarHBondContact O-N 2.89Å; V169-Y171 PolarHBondContact O-N 2.82Å; Y171-Q174 WeakPolarHBondContact O-CB 3.37Å; Y171-Q174 PolarHBondContact O-N 2.96Å; Y171-W208 AromaticContact CD1-CD1 3.82Å; Y171-P209 HydrophobicContact CE1-CG 4.04Å; Y171-P209 HydrophobicContact CE2-CG 3.83Å; Y171-P209 VanDerWaalsContact CZ-CD 3.46Å; Y171-P209 VanDerWaalsContact CZ-CG 3.45Å; Y171-P209 VanDerWaalsContact OH-CG 3.24Å; Y171-P209 WeakPolarHBondContact OH-CG 3.31Å; Y171-W211 AromaticContact CD2-CH2 3.84Å; Y171-W211 HydrophobicContact CD2-CH2 3.84Å; Y171-W211 HydrophobicContact CD2-CZ2 4.22Å; Y171-W211 AromaticContact CE2-CH2 3.8Å; Y171-W211 HydrophobicContact CE2-CH2 3.8Å; Y171-W211 AromaticContact CE2-CZ2 3.71Å; Y171-W211 HydrophobicContact CE2-CZ2 3.71Å; Y171-M212 HydrophobicContact CD2-CG 3.98Å; Y171-M212 HydrophobicContact CD2-SD 3.77Å; Y171-M212 HydrophobicContact CG-CE 4.47Å; Y171-M212 HydrophobicContact CG-CG 4.18Å; Y171-M212 HydrophobicContact CG-SD 4.09Å
172	I	85.7	Confident	88.7	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-39.3	176.6	-71.6	159.4	0	0	0	110.9	A168 V169 Q174 L175 M212 Y219 P221	A168-I172 HydrophobicContact CB-CD1 4.11Å; A168-I172 WeakPolarHBondContact O-CB 3.38Å; A168-I172 WeakPolarHBondContact O-CD1 3.44Å; A168-I172 VanDerWaalsContact O-CG1 3.31Å; A168-I172 WeakPolarHBondContact O-CG1 3.1Å; A168-I172 PolarHBondContact O-N 3.04Å; V169-I172 PolarHBondContact O-N 2.98Å; I172-Q174 PolarHBondContact O-N 3.06Å; I172-L175 WeakPolarHBondContact O-CB 3.44Å; I172-L175 PolarHBondContact O-N 2.86Å; I172-M212 HydrophobicContact CG1-CE 4.28Å; I172-Y219 VanDerWaalsContact CD1-O 3.25Å; I172-Y219 WeakPolarHBondContact CD1-O 3.5Å; I172-P221 HydrophobicContact CG2-CB 4.11Å; I172-P221 HydrophobicContact CG2-CG 4.12Å
173	L	82.7	Confident	88.7	Confident	89 Å²	89	40.5 Å²	40.5	47%	0.466	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-18.6	178.1	-75	174.1	0	0	0	113.8	V169 F170 L175 K176	V169-L173 HydrophobicContact CG1-CD1 3.69Å; V169-L173 HydrophobicContact CG1-CG 4.13Å; V169-L173 WeakPolarHBondContact O-CB 3.34Å; V169-L173 VanDerWaalsContact O-CG 3.22Å; V169-L173 WeakPolarHBondContact O-CG 3.31Å; V169-L173 PolarHBondContact O-N 2.81Å; F170-L173 PolarHBondContact O-N 3.11Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-K176 WeakPolarHBondContact O-CG 3.32Å
174	Q	83.8	Confident	88.7	Confident	67 Å²	67	42.8 Å²	42.8	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-74.6	-23.7	172.1	-64.3	-178.1	9.5	0	0	112.5	F170 Y171 I172 K176 I204	F170-Q174 PolarHBondContact O-N 2.96Å; Y171-Q174 WeakPolarHBondContact O-CB 3.37Å; Y171-Q174 PolarHBondContact O-N 2.96Å; I172-Q174 PolarHBondContact O-N 3.06Å; Q174-K176 PolarHBondContact O-N 3.07Å; Q174-I204 HydrophobicContact CB-CG2 3.88Å; Q174-I204 WeakPolarHBondContact O-CD1 3.46Å
175	L	84.4	Confident	88.8	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.026	25%	0.246	C	C	.	.	S	Bend	trans	-76.8	63.5	174.7	-63.3	-179.3	0	0	0	110.8	I172 L173 I204 V205 W208 P221 Y222 I254 H277	I172-L175 WeakPolarHBondContact O-CB 3.44Å; I172-L175 PolarHBondContact O-N 2.86Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L175-I204 HydrophobicContact CD2-CB 4.47Å; L175-I204 HydrophobicContact CD2-CG2 4.28Å; L175-V205 HydrophobicContact CD2-CG2 3.98Å; L175-W208 HydrophobicContact CD1-CH2 3.65Å; L175-W208 HydrophobicContact CD1-CZ2 3.54Å; L175-W208 HydrophobicContact CD2-CZ2 4.1Å; L175-W208 HydrophobicContact CG-CH2 4.45Å; L175-W208 HydrophobicContact CG-CZ2 3.85Å; L175-P221 HydrophobicContact CB-CG 3.7Å; L175-P221 HydrophobicContact CD1-CG 4.08Å; L175-Y222 HydrophobicContact CB-CE2 3.84Å; L175-Y222 WeakPolarHBondContact CB-OH 3.29Å; L175-Y222 HydrophobicContact CD1-CE2 4.11Å; L175-Y222 HydrophobicContact CG-CE2 4.4Å; L175-Y222 PolarHBondContact O-OH 3.17Å; L175-I254 WeakPolarHBondContact CD1-O 3.46Å; L175-H277 PolarHBondContact O-NE2 3.47Å
176	K	78.7	Confident	88.9	Confident	120 Å²	120	45.6 Å²	45.6	52%	0.522	25%	0.247	S	C	.	.			trans	-74.3	148.3	179.8	-63.2	-175.9	179.7	178.5	0	110.9	L173 Q174 Y222	L173-K176 WeakPolarHBondContact O-CG 3.32Å; Q174-K176 PolarHBondContact O-N 3.07Å; K176-Y222 PolarHBondContact O-OH 2.87Å
177	G	80.4	Confident	89	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	27%	0.274	C	S	.	.			trans	-114.5	150.3	161.2	0	0	0	0	0	110.2	Q280	G177-Q280 VanDerWaalsContact O-CD 3.26Å; G177-Q280 PolarHBondContact O-NE2 3.11Å; G177-Q280 PolarHBondContact O-OE1 2.96Å
178	T	87	Confident	89.2	Confident	116 Å²	116	52.7 Å²	52.7	71%	0.712	29%	0.294	S	S	*	.			trans	-96.1	122.4	163.4	-54.5	0	0	0	0	107.5	S180	T178-S180 PolarHBondContact O-N 3.45Å
179	P	90.2	Very high	89.4	Confident	65 Å²	65	52.9 Å²	52.9	42%	0.422	30%	0.295	S	S	.	.			trans	-55.6	129.2	172.4	-25.6	34.7	0	0	0	110.3	Q280 P283	P179-Q280 HydrophobicContact CG-CB 4.45Å; P179-P283 CarbonylContact C-O 3.57Å; P179-P283 VanDerWaalsContact CA-O 3.31Å; P179-P283 WeakPolarHBondContact CA-O 3.32Å
180	S	91.6	Very high	89.4	Confident	37 Å²	37	54.8 Å²	54.8	26%	0.259	31%	0.309	S	S	.	.			trans	-137.3	125.3	-174.8	-177	0	0	0	0	110.3	T178 K182 P283 I284	T178-S180 PolarHBondContact O-N 3.45Å; S180-K182 PolarHBondContact O-N 2.86Å; S180-K182 WeakPolarHBondContact OG-CB 3.46Å; S180-K182 WeakPolarHBondContact OG-CG 3Å; S180-K182 PolarHBondContact OG-N 2.81Å; S180-P283 PolarHBondContact N-O 3.41Å; S180-P283 WeakPolarHBondContact O-CG 3.38Å; S180-I284 VanDerWaalsContact CB-O 3.28Å; S180-I284 WeakPolarHBondContact CB-O 3.44Å
181	A	90.2	Very high	89.4	Confident	53 Å²	53	54.8 Å²	54.8	44%	0.438	31%	0.309	S	S	.	.			trans	-79.5	1.1	170.7	0	0	0	0	0	113
182	K	91.4	Very high	89.5	Confident	152 Å²	152	55.1 Å²	55.1	66%	0.661	31%	0.311	S	S	*	.			trans	-71.1	150.1	178.4	-61.5	-177.6	178.6	-179.7	0	110.8	S180	S180-K182 PolarHBondContact O-N 2.86Å; S180-K182 WeakPolarHBondContact OG-CB 3.46Å; S180-K182 WeakPolarHBondContact OG-CG 3Å; S180-K182 PolarHBondContact OG-N 2.81Å
183	I	95.1	Very high	89.9	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.072	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.2	174.7	-56	170.9	0	0	0	107.4	A235 T286 A288 V291 P297 V299	I183-A235 HydrophobicContact CG1-CB 4.01Å; I183-T286 CarbonylContact C-O 3.49Å; I183-T286 WeakPolarHBondContact CA-O 3.5Å; I183-T286 HydrophobicContact CG1-CG2 4.26Å; I183-T286 HydrophobicContact CG2-CG2 4.23Å; I183-A288 HydrophobicContact CG2-CB 3.75Å; I183-V291 HydrophobicContact CB-CG1 3.85Å; I183-V291 HydrophobicContact CD1-CG1 4.19Å; I183-V291 HydrophobicContact CG2-CG1 3.48Å; I183-V291 VanDerWaalsContact CG2-CG1 3.48Å; I183-P297 HydrophobicContact CB-CG 4.42Å; I183-P297 HydrophobicContact CD1-CB 4.21Å; I183-P297 HydrophobicContact CD1-CG 4.2Å; I183-P297 WeakPolarHBondContact CD1-O 3.39Å; I183-P297 HydrophobicContact CG1-CG 4.14Å; I183-V299 HydrophobicContact CD1-CG2 3.82Å
184	D	95.3	Very high	90.5	Very high	50 Å²	50	53.2 Å²	53.2	27%	0.267	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127	178	-73.4	-0.2	0	0	0	109.7	V186 R285 T286 F287 A288	D184-V186 PolarHBondContact O-N 2.85Å; D184-R285 IonicContact OD2-CZ 3.48Å; D184-R285 IonicContact OD2-NE 3.75Å; D184-R285 PolarHBondContact OD2-NE 3.1Å; D184-R285 IonicContact OD2-NH2 2.9Å; D184-R285 PolarHBondContact OD2-NH2 3.4Å; D184-T286 PolarHBondContact N-O 3.42Å; D184-F287 HydrophobicContact CB-CD1 3.81Å; D184-F287 HydrophobicContact CB-CE1 4.03Å; D184-F287 WeakPolarHBondContact O-CA 2.99Å; D184-A288 PolarHBondContact O-N 2.88Å
185	V	96.4	Very high	91	Very high	85 Å²	85	53 Å²	53	52%	0.515	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115	-179.8	-179.7	0	0	0	0	108.9	A288 G289 V291	V185-A288 CarbonylContact C-O 3.59Å; V185-A288 VanDerWaalsContact CA-O 3.3Å; V185-A288 WeakPolarHBondContact CA-O 3.48Å; V185-G289 WeakPolarHBondContact CG1-O 3.31Å; V185-V291 HydrophobicContact CG2-CG1 4.34Å; V185-V291 HydrophobicContact CG2-CG2 3.67Å
186	V	96.4	Very high	91.5	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.042	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-94.7	121	176.8	177.9	0	0	0	0	108.3	D184 I189 Y194 L196 F287 A288 L303	D184-V186 PolarHBondContact O-N 2.85Å; V186-I189 HydrophobicContact CG1-CG1 4.18Å; V186-Y194 HydrophobicContact CG1-CE1 3.93Å; V186-Y194 WeakPolarHBondContact CG1-OH 3.47Å; V186-L196 HydrophobicContact CG2-CD2 4.33Å; V186-F287 HydrophobicContact CG2-CB 3.87Å; V186-F287 HydrophobicContact CG2-CD1 3.79Å; V186-F287 HydrophobicContact CG2-CG 4.28Å; V186-A288 PolarHBondContact N-O 2.75Å; V186-L303 HydrophobicContact CB-CD2 3.57Å; V186-L303 HydrophobicContact CG1-CD2 3.92Å; V186-L303 HydrophobicContact CG2-CD2 3.95Å
187	P	94.5	Very high	92.2	Very high	89 Å²	89	51.3 Å²	51.3	58%	0.578	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-63.2	160.7	173.8	28.6	-34.7	0	0	0	110.6	I189	P187-I189 PolarHBondContact O-N 3.36Å; P187-I189 VanDerWaalsContact O-N 3.15Å
188	P	94.2	Very high	92.8	Very high	65 Å²	65	51.2 Å²	51.2	42%	0.422	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-49.2	124.3	176.5	-28.2	35.9	0	0	0	111.8	S190 S304 D306	P188-S190 PolarHBondContact O-N 3.05Å; P188-S304 CarbonylContact C-O 3.57Å; P188-S304 WeakPolarHBondContact CA-O 3.26Å; P188-D306 HydrophobicContact CB-CB 3.86Å
189	I	93.6	Very high	92.8	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-73.2	126.9	-173.5	-60.1	170.9	0	0	0	108.2	V186 P187 E191 F192 Y194 L260 S304 I305 D306	V186-I189 HydrophobicContact CG1-CG1 4.18Å; P187-I189 PolarHBondContact O-N 3.36Å; P187-I189 VanDerWaalsContact O-N 3.15Å; I189-E191 WeakPolarHBondContact CG2-O 3.25Å; I189-F192 HydrophobicContact CB-CE2 4.13Å; I189-F192 HydrophobicContact CB-CZ 4.18Å; I189-F192 HydrophobicContact CD1-CZ 4.25Å; I189-F192 HydrophobicContact CG2-CD2 4.01Å; I189-F192 HydrophobicContact CG2-CE1 4.42Å; I189-F192 HydrophobicContact CG2-CE2 3.49Å; I189-F192 VanDerWaalsContact CG2-CE2 3.49Å; I189-F192 HydrophobicContact CG2-CZ 3.73Å; I189-Y194 HydrophobicContact CD1-CD1 3.88Å; I189-Y194 HydrophobicContact CD1-CE1 4.32Å; I189-Y194 HydrophobicContact CD1-CG 4.01Å; I189-Y194 HydrophobicContact CG1-CD1 4.28Å; I189-Y194 HydrophobicContact CG1-CD2 4.21Å; I189-Y194 HydrophobicContact CG1-CE1 4.43Å; I189-Y194 HydrophobicContact CG1-CE2 4.37Å; I189-Y194 HydrophobicContact CG1-CG 4.17Å; I189-Y194 HydrophobicContact CG2-CD2 3.71Å; I189-Y194 HydrophobicContact CG2-CE2 4.48Å; I189-Y194 HydrophobicContact CG2-CG 3.87Å; I189-L260 HydrophobicContact CD1-CD2 4.2Å; I189-S304 PolarHBondContact N-O 2.89Å; I189-I305 CarbonylContact O-C 3.49Å; I189-I305 WeakPolarHBondContact O-CA 3.13Å; I189-I305 WeakPolarHBondContact O-CG2 3.3Å; I189-D306 PolarHBondContact O-N 3.38Å
190	S	89.2	Confident	92.5	Very high	52 Å²	52	49.2 Å²	49.2	36%	0.364	27%	0.267	S	S	.	.			trans	-101.6	-21.4	-179.6	41.9	0	0	0	0	113.6	P188	P188-S190 PolarHBondContact O-N 3.05Å
191	E	89.2	Confident	92	Very high	26 Å²	26	51.5 Å²	51.5	12%	0.121	28%	0.277	C	S	.	.	S	Bend	trans	-140.3	143.6	-176.6	-62.6	-168.9	157.2	0	0	111.7	I189 S312 S313 R344	I189-E191 WeakPolarHBondContact CG2-O 3.25Å; E191-S312 WeakPolarHBondContact OE1-CA 3.3Å; E191-S312 VanDerWaalsContact OE1-CB 3.3Å; E191-S312 WeakPolarHBondContact OE1-CB 3.26Å; E191-S312 PolarHBondContact OE1-N 3.43Å; E191-S312 PolarHBondContact OE1-OG 2.96Å; E191-S313 PolarHBondContact OE1-N 3.48Å; E191-R344 VanDerWaalsContact OE2-CD 3.23Å; E191-R344 WeakPolarHBondContact OE2-CD 3.32Å; E191-R344 IonicContact OE2-CZ 2.72Å; E191-R344 IonicContact OE2-NE 3.61Å; E191-R344 PolarHBondContact OE2-NE 2.89Å; E191-R344 IonicContact OE2-NH1 3.48Å; E191-R344 PolarHBondContact OE2-NH1 3.42Å
192	F	90.1	Very high	91.1	Very high	37 Å²	37	52.1 Å²	52.1	16%	0.162	27%	0.272	C	S	.	.	S	Bend	trans	-123	146.5	174.4	-71.5	-103.6	0	0	0	109.6	I189 L260 A263 V266 I305	I189-F192 HydrophobicContact CB-CE2 4.13Å; I189-F192 HydrophobicContact CB-CZ 4.18Å; I189-F192 HydrophobicContact CD1-CZ 4.25Å; I189-F192 HydrophobicContact CG2-CD2 4.01Å; I189-F192 HydrophobicContact CG2-CE1 4.42Å; I189-F192 HydrophobicContact CG2-CE2 3.49Å; I189-F192 VanDerWaalsContact CG2-CE2 3.49Å; I189-F192 HydrophobicContact CG2-CZ 3.73Å; F192-L260 HydrophobicContact CD1-CG 4.44Å; F192-L260 WeakPolarHBondContact CD1-O 3.36Å; F192-L260 HydrophobicContact CE1-CD2 3.81Å; F192-L260 HydrophobicContact CE1-CG 3.93Å; F192-A263 HydrophobicContact CD1-CB 4.27Å; F192-A263 HydrophobicContact CD2-CB 3.96Å; F192-A263 HydrophobicContact CE1-CB 4.12Å; F192-A263 HydrophobicContact CE2-CB 3.82Å; F192-A263 HydrophobicContact CG-CB 4.2Å; F192-A263 HydrophobicContact CZ-CB 3.91Å; F192-V266 HydrophobicContact CZ-CG2 4.42Å; F192-I305 HydrophobicContact CE2-CD1 3.7Å; F192-I305 HydrophobicContact CE2-CG1 4.1Å; F192-I305 HydrophobicContact CZ-CD1 3.83Å; F192-I305 HydrophobicContact CZ-CG1 4.15Å
193	P	93.8	Very high	90.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.258	C	S	.	.	S	Bend	cis	-67.2	141.5	-1.2	-20	33.3	0	0	0	113.8	Y259 L260 T261 L319 L342 Y343 Y369	P193-Y259 HydrophobicContact CB-CD1 4.05Å; P193-Y259 HydrophobicContact CB-CG 4.48Å; P193-L260 CarbonylContact C-O 3.6Å; P193-L260 VanDerWaalsContact CA-O 3.25Å; P193-L260 WeakPolarHBondContact CA-O 3.47Å; P193-T261 HydrophobicContact CB-CG2 4.01Å; P193-T261 HydrophobicContact CG-CG2 4.11Å; P193-L319 HydrophobicContact CB-CD1 4.44Å; P193-L319 HydrophobicContact CG-CD1 4.39Å; P193-L342 HydrophobicContact CB-CD2 4.37Å; P193-L342 HydrophobicContact CG-CD2 4.12Å; P193-Y343 WeakPolarHBondContact CD-O 3.41Å; P193-Y369 HydrophobicContact CG-CD2 4.48Å; P193-Y369 HydrophobicContact CG-CE1 4.07Å; P193-Y369 HydrophobicContact CG-CE2 3.8Å
194	Y	94.4	Very high	89.8	Confident	67 Å²	67	47.9 Å²	47.9	26%	0.263	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125	-179.1	-176.4	-98	0	0	0	111.3	V186 I189 L196 Y259 L260	V186-Y194 HydrophobicContact CG1-CE1 3.93Å; V186-Y194 WeakPolarHBondContact CG1-OH 3.47Å; I189-Y194 HydrophobicContact CD1-CD1 3.88Å; I189-Y194 HydrophobicContact CD1-CE1 4.32Å; I189-Y194 HydrophobicContact CD1-CG 4.01Å; I189-Y194 HydrophobicContact CG1-CD1 4.28Å; I189-Y194 HydrophobicContact CG1-CD2 4.21Å; I189-Y194 HydrophobicContact CG1-CE1 4.43Å; I189-Y194 HydrophobicContact CG1-CE2 4.37Å; I189-Y194 HydrophobicContact CG1-CG 4.17Å; I189-Y194 HydrophobicContact CG2-CD2 3.71Å; I189-Y194 HydrophobicContact CG2-CE2 4.48Å; I189-Y194 HydrophobicContact CG2-CG 3.87Å; Y194-L196 HydrophobicContact CD1-CD2 4.2Å; Y194-L196 HydrophobicContact CD1-CG 4.07Å; Y194-L196 HydrophobicContact CE1-CD2 3.59Å; Y194-L196 HydrophobicContact CE1-CG 3.97Å; Y194-Y259 CarbonylContact O-C 3.51Å; Y194-Y259 WeakPolarHBondContact O-CA 3.39Å; Y194-L260 PolarHBondContact N-O 2.95Å; Y194-L260 PolarHBondContact O-N 3.11Å
195	E	95.1	Very high	89.2	Confident	64 Å²	64	46.4 Å²	46.4	30%	0.299	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134	-176.3	-169.3	-179.8	173.3	0	0	112	R197 V258 Y259	E195-R197 HydrophobicContact CG-CG 4.43Å; E195-R197 IonicContact OE1-CZ 3.23Å; E195-R197 IonicContact OE1-NE 3.86Å; E195-R197 PolarHBondContact OE1-NE 3.43Å; E195-R197 IonicContact OE1-NH2 2.69Å; E195-R197 PolarHBondContact OE1-NH2 2.85Å; E195-R197 IonicContact OE2-NH2 2.97Å; E195-V258 CarbonylContact C-O 3.48Å; E195-V258 WeakPolarHBondContact CA-O 3.36Å; E195-Y259 HydrophobicContact CB-CD1 3.98Å; E195-Y259 HydrophobicContact CB-CE1 3.6Å; E195-Y259 VanDerWaalsContact CD-OH 3.28Å; E195-Y259 HydrophobicContact CG-CD1 4.43Å; E195-Y259 HydrophobicContact CG-CE1 3.86Å; E195-Y259 HydrophobicContact CG-CE2 4.19Å; E195-Y259 PolarHBondContact OE2-OH 3.05Å
196	L	95.4	Very high	88.5	Confident	6 Å²	6	47 Å²	47	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.9	167.7	-67.6	170	0	0	0	108.9	V186 Y194 W224 S257 V258 I273 F287	V186-L196 HydrophobicContact CG2-CD2 4.33Å; Y194-L196 HydrophobicContact CD1-CD2 4.2Å; Y194-L196 HydrophobicContact CD1-CG 4.07Å; Y194-L196 HydrophobicContact CE1-CD2 3.59Å; Y194-L196 HydrophobicContact CE1-CG 3.97Å; L196-W224 HydrophobicContact CB-CH2 3.73Å; L196-W224 HydrophobicContact CB-CZ3 4.03Å; L196-S257 CarbonylContact O-C 3.53Å; L196-S257 WeakPolarHBondContact O-CA 3.41Å; L196-V258 HydrophobicContact CB-CG1 3.72Å; L196-V258 HydrophobicContact CD1-CG1 4.48Å; L196-V258 PolarHBondContact N-O 2.68Å; L196-V258 PolarHBondContact O-N 2.65Å; L196-I273 HydrophobicContact CD1-CB 4.31Å; L196-I273 HydrophobicContact CD1-CD1 3.7Å; L196-I273 HydrophobicContact CD1-CG2 4.13Å; L196-F287 HydrophobicContact CB-CE2 4.34Å; L196-F287 HydrophobicContact CB-CZ 4.45Å; L196-F287 HydrophobicContact CD1-CD2 4.33Å; L196-F287 HydrophobicContact CD1-CG 4.47Å; L196-F287 HydrophobicContact CD2-CB 4.39Å; L196-F287 HydrophobicContact CD2-CD1 3.64Å; L196-F287 HydrophobicContact CD2-CD2 4.14Å; L196-F287 HydrophobicContact CD2-CE1 3.82Å; L196-F287 HydrophobicContact CD2-CE2 4.31Å; L196-F287 HydrophobicContact CD2-CG 3.79Å; L196-F287 HydrophobicContact CD2-CZ 4.13Å
197	R	93.2	Very high	87.9	Confident	83 Å²	83	54.9 Å²	54.9	31%	0.313	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127	-179.5	-67.2	-171.7	179.1	-179.8	2.6	111.3	E195 V199 R285 F287	E195-R197 HydrophobicContact CG-CG 4.43Å; E195-R197 IonicContact OE1-CZ 3.23Å; E195-R197 IonicContact OE1-NE 3.86Å; E195-R197 PolarHBondContact OE1-NE 3.43Å; E195-R197 IonicContact OE1-NH2 2.69Å; E195-R197 PolarHBondContact OE1-NH2 2.85Å; E195-R197 IonicContact OE2-NH2 2.97Å; R197-V199 VanDerWaalsContact C-N 3.32Å; R197-R285 WeakPolarHBondContact O-CD 3.45Å; R197-R285 PolarHBondContact O-NH1 3.43Å; R197-F287 WeakPolarHBondContact O-CZ 3.39Å
198	C	92	Very high	87.5	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.02	27%	0.266	C	S	.	.	S	Bend	trans	-67.4	-39	174.9	-162.4	0	0	0	0	111.2	Y222 W224 G256 C275 I284	C198-Y222 HydrophobicContact CB-CD1 4.13Å; C198-Y222 HydrophobicContact CB-CE1 4.45Å; C198-Y222 HydrophobicContact CB-CG 4.39Å; C198-Y222 VanDerWaalsContact SG-CD1 3.52Å; C198-W224 HydrophobicContact CB-CH2 4.33Å; C198-W224 HydrophobicContact CB-CZ2 3.8Å; C198-G256 VanDerWaalsContact CB-O 3.24Å; C198-G256 WeakPolarHBondContact CB-O 3.43Å; C198-G256 PolarHBondContact N-O 3.01Å; C198-C275 HydrophobicContact CB-CB 3.76Å; C198-C275 WeakPolarHBondContact CB-SG 3.33Å; C198-C275 WeakPolarHBondContact SG-CB 3.34Å; C198-C275 CovalentContact SG-SG 2.01Å; C198-C275 PolarHBondContact SG-SG 3.02Å; C198-I284 VanDerWaalsContact SG-CD1 3.53Å
199	V	88	Confident	87.2	Confident	33 Å²	33	49.8 Å²	49.8	20%	0.2	26%	0.255	C	S	.	.			trans	-136.3	141.6	-179.8	-177.7	0	0	0	0	108.7	R197 Y222 I284	R197-V199 VanDerWaalsContact C-N 3.32Å; V199-Y222 HydrophobicContact CG2-CE1 3.91Å; V199-Y222 WeakPolarHBondContact CG2-OH 3.26Å; V199-I284 HydrophobicContact CG2-CG2 4.42Å
200	D	83.8	Confident	86.7	Confident	106 Å²	106	55.7 Å²	55.7	57%	0.567	28%	0.278	S	S	*	.	S	Bend	trans	-81.7	-29.7	-176.2	-61.5	-42.2	0	0	0	112.8	I202 R285	D200-I202 PolarHBondContact O-N 3.46Å; D200-R285 IonicContact OD1-CZ 2.65Å; D200-R285 IonicContact OD1-NH1 3.51Å; D200-R285 PolarHBondContact OD1-NH1 2.85Å; D200-R285 IonicContact OD1-NH2 2.65Å; D200-R285 IonicContact OD2-NH1 3.82Å; D200-R285 PolarHBondContact OD2-NH1 2.77Å; D200-R285 IonicContact OD2-NH2 2.77Å
201	D	79.8	Confident	86.4	Confident	86 Å²	86	54 Å²	54	46%	0.46	26%	0.264	S	S	.	.			trans	-80.5	99.3	178.2	-174.7	8.3	0	0	0	111.9	S203	D201-S203 WeakPolarHBondContact OD1-CB 3.47Å; D201-S203 PolarHBondContact OD1-N 3.12Å; D201-S203 PolarHBondContact OD1-OG 3.27Å
202	I	72.5	Confident	86.2	Confident	66 Å²	66	52.7 Å²	52.7	34%	0.338	26%	0.258	S	S	.	.			trans	-96.9	3.3	173.5	59.7	169.5	0	0	0	113	D200 I204 V205	D200-I202 PolarHBondContact O-N 3.46Å; I202-I204 PolarHBondContact O-N 3.19Å; I202-V205 PolarHBondContact O-N 2.64Å
203	S	79.8	Confident	85.5	Confident	50 Å²	50	55.3 Å²	55.3	35%	0.35	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.4	-177	74.1	0	0	0	0	112.8	D201 S206	D201-S203 WeakPolarHBondContact OD1-CB 3.47Å; D201-S203 PolarHBondContact OD1-N 3.12Å; D201-S203 PolarHBondContact OD1-OG 3.27Å; S203-S206 PolarHBondContact O-N 3.36Å; S203-S206 PolarHBondContact O-OG 2.83Å
204	I	80	Confident	84.5	Confident	26 Å²	26	56.2 Å²	56.2	13%	0.133	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-44	178	-60.4	174.2	0	0	0	110.5	Q174 L175 I202 S206 R207 W208	Q174-I204 HydrophobicContact CB-CG2 3.88Å; Q174-I204 WeakPolarHBondContact O-CD1 3.46Å; L175-I204 HydrophobicContact CD2-CB 4.47Å; L175-I204 HydrophobicContact CD2-CG2 4.28Å; I202-I204 PolarHBondContact O-N 3.19Å; I204-S206 VanDerWaalsContact C-N 3.28Å; I204-S206 PolarHBondContact O-N 2.87Å; I204-R207 PolarHBondContact O-N 3.36Å; I204-R207 VanDerWaalsContact O-N 3.14Å; I204-W208 VanDerWaalsContact O-CD1 3.29Å
205	V	81.3	Confident	83.6	Confident	19 Å²	19	53.7 Å²	53.7	12%	0.115	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-69.7	-27.2	-176.1	179.7	0	0	0	0	112.1	L175 I202 R207 W208 N255	L175-V205 HydrophobicContact CD2-CG2 3.98Å; I202-V205 PolarHBondContact O-N 2.64Å; V205-R207 PolarHBondContact O-N 3.32Å; V205-W208 HydrophobicContact CB-CD2 4.34Å; V205-W208 HydrophobicContact CB-CE3 4.49Å; V205-W208 HydrophobicContact CG1-CD2 4.12Å; V205-W208 HydrophobicContact CG1-CE3 3.83Å; V205-W208 HydrophobicContact CG1-CZ3 4.18Å; V205-W208 HydrophobicContact CG2-CD2 4.34Å; V205-W208 HydrophobicContact CG2-CE3 4.48Å; V205-W208 HydrophobicContact CG2-CH2 4.17Å; V205-W208 HydrophobicContact CG2-CZ2 3.97Å; V205-W208 HydrophobicContact CG2-CZ3 4.41Å; V205-W208 WeakPolarHBondContact O-CB 3.08Å; V205-W208 PolarHBondContact O-N 3.19Å; V205-N255 HydrophobicContact CB-CB 4.39Å; V205-N255 HydrophobicContact CG1-CB 4.43Å; V205-N255 HydrophobicContact CG2-CB 3.65Å
206	S	81.4	Confident	82.3	Confident	99 Å²	99	51.1 Å²	51.1	69%	0.692	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.4	-17.2	175	73.1	0	0	0	0	114	S203 I204	S203-S206 PolarHBondContact O-N 3.36Å; S203-S206 PolarHBondContact O-OG 2.83Å; I204-S206 VanDerWaalsContact C-N 3.28Å; I204-S206 PolarHBondContact O-N 2.87Å
207	R	84.1	Confident	81	Confident	171 Å²	171	52 Å²	52	65%	0.645	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-100.8	4.4	179.6	-69.6	179.5	-83.9	160.8	-8.3	113.1	I204 V205	I204-R207 PolarHBondContact O-N 3.36Å; I204-R207 VanDerWaalsContact O-N 3.14Å; V205-R207 PolarHBondContact O-N 3.32Å
208	W	87	Confident	80.1	Confident	17 Å²	17	52.5 Å²	52.5	6%	0.064	27%	0.267	C	S	.	.	S	Bend	trans	-72.1	145.9	-177.9	-76.7	1	0	0	0	112.2	Y171 L175 I204 V205 M212 I254	Y171-W208 AromaticContact CD1-CD1 3.82Å; L175-W208 HydrophobicContact CD1-CH2 3.65Å; L175-W208 HydrophobicContact CD1-CZ2 3.54Å; L175-W208 HydrophobicContact CD2-CZ2 4.1Å; L175-W208 HydrophobicContact CG-CH2 4.45Å; L175-W208 HydrophobicContact CG-CZ2 3.85Å; I204-W208 VanDerWaalsContact O-CD1 3.29Å; V205-W208 HydrophobicContact CB-CD2 4.34Å; V205-W208 HydrophobicContact CB-CE3 4.49Å; V205-W208 HydrophobicContact CG1-CD2 4.12Å; V205-W208 HydrophobicContact CG1-CE3 3.83Å; V205-W208 HydrophobicContact CG1-CZ3 4.18Å; V205-W208 HydrophobicContact CG2-CD2 4.34Å; V205-W208 HydrophobicContact CG2-CE3 4.48Å; V205-W208 HydrophobicContact CG2-CH2 4.17Å; V205-W208 HydrophobicContact CG2-CZ2 3.97Å; V205-W208 HydrophobicContact CG2-CZ3 4.41Å; V205-W208 WeakPolarHBondContact O-CB 3.08Å; V205-W208 PolarHBondContact O-N 3.19Å; W208-M212 HydrophobicContact CB-CB 3.94Å; W208-M212 HydrophobicContact CB-CG 4.21Å; W208-M212 HydrophobicContact CD2-CB 4.02Å; W208-M212 HydrophobicContact CD2-CE 4.07Å; W208-M212 HydrophobicContact CD2-CG 4.28Å; W208-M212 HydrophobicContact CE3-CB 3.6Å; W208-M212 HydrophobicContact CE3-CE 3.89Å; W208-M212 HydrophobicContact CE3-CG 4.3Å; W208-M212 HydrophobicContact CG-CB 4.21Å; W208-M212 HydrophobicContact CG-CG 4.29Å; W208-M212 HydrophobicContact CH2-CE 3.73Å; W208-M212 HydrophobicContact CZ2-CE 3.95Å; W208-M212 HydrophobicContact CZ3-CB 4.28Å; W208-M212 HydrophobicContact CZ3-CE 3.7Å; W208-I254 HydrophobicContact CH2-CG1 4.48Å; W208-I254 HydrophobicContact CH2-CG2 3.72Å; W208-I254 HydrophobicContact CZ3-CG2 3.42Å; W208-I254 VanDerWaalsContact CZ3-CG2 3.42Å
209	P	87.3	Confident	79.4	Confident	31 Å²	31	53.8 Å²	53.8	20%	0.201	27%	0.271	C	S	.	.			trans	-57.3	149.2	166.2	-22.2	32.4	0	0	0	111	Y171 W211 M212	Y171-P209 HydrophobicContact CE1-CG 4.04Å; Y171-P209 HydrophobicContact CE2-CG 3.83Å; Y171-P209 VanDerWaalsContact CZ-CD 3.46Å; Y171-P209 VanDerWaalsContact CZ-CG 3.45Å; Y171-P209 VanDerWaalsContact OH-CG 3.24Å; Y171-P209 WeakPolarHBondContact OH-CG 3.31Å; P209-W211 HydrophobicContact CB-CD2 4.24Å; P209-W211 HydrophobicContact CB-CG 4.21Å; P209-W211 HydrophobicContact CB-CZ2 4.22Å; P209-W211 VanDerWaalsContact CB-NE1 3.29Å; P209-W211 HydrophobicContact CG-CZ2 4.02Å; P209-W211 PolarHBondContact O-N 3.15Å; P209-M212 WeakPolarHBondContact O-CB 3.05Å; P209-M212 PolarHBondContact O-N 3.28Å
210	Y	82.4	Confident	79.1	Confident	127 Å²	127	52.4 Å²	52.4	50%	0.498	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-53	-35.1	-177.7	76.9	-84.6	0	0	0	113.3	R166 M212 H213 Q214	R166-Y210 PolarHBondContact NH2-OH 3.18Å; Y210-M212 VanDerWaalsContact C-N 3.3Å; Y210-M212 PolarHBondContact O-N 3.47Å; Y210-H213 PolarHBondContact O-N 2.89Å; Y210-Q214 VanDerWaalsContact CD2-NE2 3.31Å
211	W	83.7	Confident	79.2	Confident	15 Å²	15	47.7 Å²	47.7	6%	0.057	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-70.7	-20.8	-178.2	60.1	-106.6	0	0	0	113.7	Y57 R166 A168 Y171 P209 H213 Q214 L215	Y57-W211 HydrophobicContact CD1-CE3 4.42Å; Y57-W211 HydrophobicContact CD1-CZ3 4.42Å; Y57-W211 HydrophobicContact CE1-CE3 4.01Å; Y57-W211 HydrophobicContact CE1-CZ3 4.46Å; R166-W211 HydrophobicContact CB-CD2 4.3Å; R166-W211 HydrophobicContact CB-CE3 4.27Å; R166-W211 HydrophobicContact CB-CH2 3.87Å; R166-W211 HydrophobicContact CB-CZ2 3.84Å; R166-W211 HydrophobicContact CB-CZ3 4.05Å; R166-W211 HydrophobicContact CG-CD2 4.17Å; R166-W211 HydrophobicContact CG-CZ2 4.2Å; A168-W211 HydrophobicContact CB-CH2 4.45Å; A168-W211 HydrophobicContact CB-CZ3 4.09Å; Y171-W211 AromaticContact CD2-CH2 3.84Å; Y171-W211 HydrophobicContact CD2-CH2 3.84Å; Y171-W211 HydrophobicContact CD2-CZ2 4.22Å; Y171-W211 AromaticContact CE2-CH2 3.8Å; Y171-W211 HydrophobicContact CE2-CH2 3.8Å; Y171-W211 AromaticContact CE2-CZ2 3.71Å; Y171-W211 HydrophobicContact CE2-CZ2 3.71Å; P209-W211 HydrophobicContact CB-CD2 4.24Å; P209-W211 HydrophobicContact CB-CG 4.21Å; P209-W211 HydrophobicContact CB-CZ2 4.22Å; P209-W211 VanDerWaalsContact CB-NE1 3.29Å; P209-W211 HydrophobicContact CG-CZ2 4.02Å; P209-W211 PolarHBondContact O-N 3.15Å; W211-H213 PolarHBondContact O-N 3.41Å; W211-Q214 WeakPolarHBondContact O-CB 3.25Å; W211-Q214 PolarHBondContact O-N 3.1Å; W211-Q214 VanDerWaalsContact O-N 3.08Å; W211-L215 HydrophobicContact CZ3-CD1 4.18Å
212	M	85.1	Confident	79.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29.7	176.1	-81.9	-66.5	-57.9	0	0	112	A168 Y171 I172 W208 P209 Y210 Q214 L215	A168-M212 HydrophobicContact CB-SD 3.98Å; Y171-M212 HydrophobicContact CD2-CG 3.98Å; Y171-M212 HydrophobicContact CD2-SD 3.77Å; Y171-M212 HydrophobicContact CG-CE 4.47Å; Y171-M212 HydrophobicContact CG-CG 4.18Å; Y171-M212 HydrophobicContact CG-SD 4.09Å; I172-M212 HydrophobicContact CG1-CE 4.28Å; W208-M212 HydrophobicContact CB-CB 3.94Å; W208-M212 HydrophobicContact CB-CG 4.21Å; W208-M212 HydrophobicContact CD2-CB 4.02Å; W208-M212 HydrophobicContact CD2-CE 4.07Å; W208-M212 HydrophobicContact CD2-CG 4.28Å; W208-M212 HydrophobicContact CE3-CB 3.6Å; W208-M212 HydrophobicContact CE3-CE 3.89Å; W208-M212 HydrophobicContact CE3-CG 4.3Å; W208-M212 HydrophobicContact CG-CB 4.21Å; W208-M212 HydrophobicContact CG-CG 4.29Å; W208-M212 HydrophobicContact CH2-CE 3.73Å; W208-M212 HydrophobicContact CZ2-CE 3.95Å; W208-M212 HydrophobicContact CZ3-CB 4.28Å; W208-M212 HydrophobicContact CZ3-CE 3.7Å; P209-M212 WeakPolarHBondContact O-CB 3.05Å; P209-M212 PolarHBondContact O-N 3.28Å; Y210-M212 VanDerWaalsContact C-N 3.3Å; Y210-M212 PolarHBondContact O-N 3.47Å; M212-Q214 PolarHBondContact O-N 3.41Å; M212-L215 HydrophobicContact CE-CD1 3.98Å; M212-L215 PolarHBondContact O-N 2.83Å; M212-L215 HydrophobicContact SD-CD1 3.63Å
213	H	75.1	Confident	80.5	Confident	91 Å²	91	43.9 Å²	43.9	42%	0.421	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.4	-10.6	177.1	-59.4	-64.9	0	0	0	113.4	Y210 W211	Y210-H213 PolarHBondContact O-N 2.89Å; W211-H213 PolarHBondContact O-N 3.41Å
214	Q	73.1	Confident	81.2	Confident	21 Å²	21	41.9 Å²	41.9	10%	0.098	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-92.9	-14	179.1	-55.7	164.1	7.6	0	0	111.8	Y210 W211 M212 V327	Y210-Q214 VanDerWaalsContact CD2-NE2 3.31Å; W211-Q214 WeakPolarHBondContact O-CB 3.25Å; W211-Q214 PolarHBondContact O-N 3.1Å; W211-Q214 VanDerWaalsContact O-N 3.08Å; M212-Q214 PolarHBondContact O-N 3.41Å; Q214-V327 PolarHBondContact NE2-O 2.93Å; Q214-V327 PolarHBondContact OE1-O 3.32Å; Q214-V327 VanDerWaalsContact OE1-O 3.12Å
215	L	74.6	Confident	81.9	Confident	14 Å²	14	41.4 Å²	41.4	7%	0.073	20%	0.196	C	C	.	.	S	Bend	trans	-67	140.2	175.6	-68.6	177.1	0	0	0	110.2	F36 Y57 A168 W211 M212 Y219	F36-L215 HydrophobicContact CE1-CD2 4.4Å; Y57-L215 HydrophobicContact CD1-CD2 4.05Å; Y57-L215 HydrophobicContact CE1-CD2 4.2Å; A168-L215 HydrophobicContact CB-CD1 3.45Å; A168-L215 VanDerWaalsContact CB-CD1 3.45Å; W211-L215 HydrophobicContact CZ3-CD1 4.18Å; M212-L215 HydrophobicContact CE-CD1 3.98Å; M212-L215 PolarHBondContact O-N 2.83Å; M212-L215 HydrophobicContact SD-CD1 3.63Å; L215-Y219 HydrophobicContact CB-CD2 4.17Å; L215-Y219 HydrophobicContact CD2-CD2 4.24Å; L215-Y219 HydrophobicContact CD2-CE2 4.45Å
216	D	69.4	Low	82.6	Confident	9 Å²	9	41.3 Å²	41.3	5%	0.048	19%	0.194	C	C	.	.			trans	-55.8	139	169.5	167	7.5	0	0	0	110.9	R218 Y219	D216-R218 PolarHBondContact O-N 2.77Å; D216-R218 VanDerWaalsContact O-N 3.1Å; D216-R218 WeakPolarHBondContact OD1-CG 3.16Å; D216-R218 PolarHBondContact OD1-N 2.79Å; D216-R218 IonicContact OD1-NE 3.13Å; D216-R218 IonicContact OD2-CZ 3.92Å; D216-R218 IonicContact OD2-NE 3.79Å; D216-R218 PolarHBondContact OD2-NE 2.81Å; D216-R218 IonicContact OD2-NH2 3.95Å; D216-R218 PolarHBondContact OD2-NH2 2.74Å; D216-Y219 HydrophobicContact CB-CD2 3.95Å; D216-Y219 HydrophobicContact CB-CE2 3.93Å; D216-Y219 WeakPolarHBondContact O-CD2 3.46Å; D216-Y219 PolarHBondContact O-N 2.79Å; D216-Y219 VanDerWaalsContact O-N 3.08Å
217	G	68	Low	83.3	Confident	26 Å²	26	36.9 Å²	36.9	27%	0.268	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-57.6	-22	177.8	0	0	0	0	0	114.1	Y219 G220	G217-Y219 PolarHBondContact O-N 2.85Å; G217-G220 PolarHBondContact O-N 2.8Å
218	R	73.3	Confident	83.9	Confident	92 Å²	92	32.5 Å²	32.5	35%	0.347	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-65.5	-22.2	176.1	-64.1	-179.2	-55.2	136.1	37.2	113.1	D216 G220 R223	D216-R218 PolarHBondContact O-N 2.77Å; D216-R218 VanDerWaalsContact O-N 3.1Å; D216-R218 WeakPolarHBondContact OD1-CG 3.16Å; D216-R218 PolarHBondContact OD1-N 2.79Å; D216-R218 IonicContact OD1-NE 3.13Å; D216-R218 IonicContact OD2-CZ 3.92Å; D216-R218 IonicContact OD2-NE 3.79Å; D216-R218 PolarHBondContact OD2-NE 2.81Å; D216-R218 IonicContact OD2-NH2 3.95Å; D216-R218 PolarHBondContact OD2-NH2 2.74Å; R218-G220 VanDerWaalsContact C-N 3.27Å; R218-R223 PolarHBondContact O-NH2 2.87Å
219	Y	78.3	Confident	84.2	Confident	31 Å²	31	32.2 Å²	32.2	12%	0.122	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-75.9	-15.9	171.8	-59.9	-58.8	0	0	0	113	A59 Q60 I172 L215 D216 G217	A59-Y219 HydrophobicContact CB-CD1 4.15Å; A59-Y219 HydrophobicContact CB-CE1 3.82Å; Q60-Y219 HydrophobicContact CB-CD1 4.04Å; Q60-Y219 HydrophobicContact CB-CE1 4.47Å; I172-Y219 VanDerWaalsContact CD1-O 3.25Å; I172-Y219 WeakPolarHBondContact CD1-O 3.5Å; L215-Y219 HydrophobicContact CB-CD2 4.17Å; L215-Y219 HydrophobicContact CD2-CD2 4.24Å; L215-Y219 HydrophobicContact CD2-CE2 4.45Å; D216-Y219 HydrophobicContact CB-CD2 3.95Å; D216-Y219 HydrophobicContact CB-CE2 3.93Å; D216-Y219 WeakPolarHBondContact O-CD2 3.46Å; D216-Y219 PolarHBondContact O-N 2.79Å; D216-Y219 VanDerWaalsContact O-N 3.08Å; G217-Y219 PolarHBondContact O-N 2.85Å
220	G	81.1	Confident	84.3	Confident	4 Å²	4	37 Å²	37	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	-60.7	151.3	174.4	0	0	0	0	0	112.1	G217 R218 R223 I254	G217-G220 PolarHBondContact O-N 2.8Å; R218-G220 VanDerWaalsContact C-N 3.27Å; G220-R223 PolarHBondContact O-NH1 3.26Å; G220-I254 VanDerWaalsContact CA-CG1 3.49Å
221	P	85.1	Confident	84.5	Confident	7 Å²	7	34.1 Å²	34.1	5%	0.045	19%	0.189	C	C	.	.	S	Bend	trans	-82.7	-18.1	-177.1	31.2	-30.5	0	0	0	112.9	I172 L175 H277 V278	I172-P221 HydrophobicContact CG2-CB 4.11Å; I172-P221 HydrophobicContact CG2-CG 4.12Å; L175-P221 HydrophobicContact CB-CG 3.7Å; L175-P221 HydrophobicContact CD1-CG 4.08Å; P221-H277 WeakPolarHBondContact CB-NE2 3.41Å; P221-H277 CarbonylContact O-C 3.55Å; P221-H277 WeakPolarHBondContact O-CA 3.39Å; P221-V278 WeakPolarHBondContact O-CG2 3.5Å; P221-V278 PolarHBondContact O-N 3.15Å
222	Y	89.7	Confident	84.9	Confident	12 Å²	12	39.7 Å²	39.7	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	142.5	-174.8	-53.9	-63.7	0	0	0	111.4	L175 K176 C198 V199 K276 I284	L175-Y222 HydrophobicContact CB-CE2 3.84Å; L175-Y222 WeakPolarHBondContact CB-OH 3.29Å; L175-Y222 HydrophobicContact CD1-CE2 4.11Å; L175-Y222 HydrophobicContact CG-CE2 4.4Å; L175-Y222 PolarHBondContact O-OH 3.17Å; K176-Y222 PolarHBondContact O-OH 2.87Å; C198-Y222 HydrophobicContact CB-CD1 4.13Å; C198-Y222 HydrophobicContact CB-CE1 4.45Å; C198-Y222 HydrophobicContact CB-CG 4.39Å; C198-Y222 VanDerWaalsContact SG-CD1 3.52Å; V199-Y222 HydrophobicContact CG2-CE1 3.91Å; V199-Y222 WeakPolarHBondContact CG2-OH 3.26Å; Y222-K276 CarbonylContact C-O 3.54Å; Y222-K276 WeakPolarHBondContact CA-O 3.45Å; Y222-I284 HydrophobicContact CD1-CD1 3.63Å; Y222-I284 HydrophobicContact CE1-CD1 3.61Å
223	R	90.6	Very high	85.3	Confident	60 Å²	60	40.1 Å²	40.1	23%	0.226	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.4	171.7	-63.3	-68.1	-179.9	-90.5	-2.7	109.1	R218 G220 C275 K276 V278	R218-R223 PolarHBondContact O-NH2 2.87Å; G220-R223 PolarHBondContact O-NH1 3.26Å; R223-C275 WeakPolarHBondContact O-CA 3.17Å; R223-K276 HydrophobicContact CB-CD 4.31Å; R223-K276 HydrophobicContact CB-CG 3.74Å; R223-K276 PolarHBondContact N-O 2.93Å; R223-K276 PolarHBondContact O-N 3.41Å; R223-V278 HydrophobicContact CG-CG2 3.77Å
224	W	93.9	Very high	86.2	Confident	8 Å²	8	38 Å²	38	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.4	177.7	-68.3	95.7	0	0	0	110.6	L196 C198 F245 I250 E252 G256 V258 I273 C275 F287	L196-W224 HydrophobicContact CB-CH2 3.73Å; L196-W224 HydrophobicContact CB-CZ3 4.03Å; C198-W224 HydrophobicContact CB-CH2 4.33Å; C198-W224 HydrophobicContact CB-CZ2 3.8Å; W224-F245 HydrophobicContact CB-CE2 4.27Å; W224-F245 WeakPolarHBondContact O-CD2 3.47Å; W224-I250 HydrophobicContact CB-CD1 4.23Å; W224-E252 WeakPolarHBondContact CB-OE1 3.3Å; W224-G256 WeakPolarHBondContact CZ2-O 3.46Å; W224-V258 HydrophobicContact CB-CG2 4.48Å; W224-V258 HydrophobicContact CD2-CB 3.82Å; W224-V258 HydrophobicContact CD2-CG1 3.39Å; W224-V258 HydrophobicContact CE3-CB 4.5Å; W224-V258 HydrophobicContact CE3-CG1 3.6Å; W224-V258 HydrophobicContact CG-CB 3.87Å; W224-V258 HydrophobicContact CG-CG1 3.92Å; W224-V258 HydrophobicContact CG-CG2 4.18Å; W224-V258 HydrophobicContact CH2-CG1 3.7Å; W224-V258 HydrophobicContact CZ2-CB 4.08Å; W224-V258 HydrophobicContact CZ2-CG1 3.51Å; W224-V258 HydrophobicContact CZ3-CG1 3.75Å; W224-I273 HydrophobicContact CE3-CG2 3.63Å; W224-I273 HydrophobicContact CZ3-CG2 3.84Å; W224-C275 HydrophobicContact CD2-CB 4.02Å; W224-C275 HydrophobicContact CE3-CB 3.78Å; W224-C275 HydrophobicContact CH2-CB 3.87Å; W224-C275 HydrophobicContact CZ2-CB 4.08Å; W224-C275 HydrophobicContact CZ3-CB 3.71Å; W224-F287 AromaticContact CH2-CE2 3.71Å; W224-F287 HydrophobicContact CH2-CE2 3.71Å; W224-F287 HydrophobicContact CH2-CZ 4.42Å; W224-F287 HydrophobicContact CZ3-CD2 4.02Å; W224-F287 AromaticContact CZ3-CE2 3.64Å; W224-F287 HydrophobicContact CZ3-CE2 3.64Å
225	E	95.7	Very high	87.2	Confident	16 Å²	16	37.1 Å²	37.1	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	171.8	179.2	-66.2	170.3	161.8	0	0	109.2	P242 F245 V274 K276	E225-P242 HydrophobicContact CB-CB 3.62Å; E225-P242 HydrophobicContact CG-CB 4.1Å; E225-P242 WeakPolarHBondContact OE2-CB 2.91Å; E225-P242 WeakPolarHBondContact OE2-CG 3.28Å; E225-F245 VanDerWaalsContact C-CE2 3.4Å; E225-V274 HydrophobicContact CB-CG1 4.21Å; E225-V274 PolarHBondContact N-O 3Å; E225-V274 PolarHBondContact O-N 3.33Å; E225-K276 VanDerWaalsContact CD-CE 3.49Å; E225-K276 WeakPolarHBondContact OE1-CE 3.44Å; E225-K276 IonicContact OE1-NZ 2.79Å; E225-K276 PolarHBondContact OE1-NZ 3.08Å; E225-K276 WeakPolarHBondContact OE2-CE 3.3Å; E225-K276 IonicContact OE2-NZ 2.7Å; E225-K276 PolarHBondContact OE2-NZ 3.06Å
226	Y	96.3	Very high	88.1	Confident	17 Å²	17	40.1 Å²	40.1	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.3	176.8	73.3	-90	0	0	0	112.1	L228 P242 I243 Q244 F245 I271 A272	Y226-L228 HydrophobicContact CE2-CD2 4.49Å; Y226-P242 CarbonylContact O-C 3.53Å; Y226-I243 HydrophobicContact CD1-CB 4.39Å; Y226-I243 WeakPolarHBondContact CD1-O 3.46Å; Y226-I243 HydrophobicContact CD2-CB 4.28Å; Y226-I243 HydrophobicContact CE1-CB 4.03Å; Y226-I243 HydrophobicContact CE1-CG2 3.84Å; Y226-I243 HydrophobicContact CE2-CB 3.89Å; Y226-I243 HydrophobicContact CE2-CD1 3.9Å; Y226-I243 HydrophobicContact CE2-CG1 4.45Å; Y226-I243 HydrophobicContact CE2-CG2 4.07Å; Y226-I243 VanDerWaalsContact CZ-CG2 3.5Å; Y226-I243 PolarHBondContact N-O 3.44Å; Y226-I243 WeakPolarHBondContact O-CA 3.43Å; Y226-I243 WeakPolarHBondContact O-CB 3.49Å; Y226-I243 PolarHBondContact O-N 2.8Å; Y226-I243 WeakPolarHBondContact OH-CG2 3.27Å; Y226-Q244 WeakPolarHBondContact CE1-O 3.33Å; Y226-F245 AromaticContact CD1-CD1 3.66Å; Y226-F245 HydrophobicContact CD1-CD1 3.66Å; Y226-F245 HydrophobicContact CD1-CD2 4.2Å; Y226-F245 AromaticContact CD1-CE1 3.59Å; Y226-F245 HydrophobicContact CD1-CE1 3.59Å; Y226-F245 HydrophobicContact CD1-CE2 4.16Å; Y226-F245 AromaticContact CD1-CG 3.99Å; Y226-F245 HydrophobicContact CD1-CG 3.99Å; Y226-F245 AromaticContact CD1-CZ 3.87Å; Y226-F245 HydrophobicContact CD1-CZ 3.87Å; Y226-F245 HydrophobicContact CE1-CD1 4.12Å; Y226-F245 HydrophobicContact CE1-CE1 4.41Å; Y226-F245 HydrophobicContact CE1-CG 4.46Å; Y226-F245 HydrophobicContact CG-CE1 4.16Å; Y226-F245 HydrophobicContact CG-CZ 4.22Å; Y226-I271 HydrophobicContact CD2-CB 3.98Å; Y226-I271 HydrophobicContact CD2-CG2 3.54Å; Y226-I271 HydrophobicContact CE2-CG2 3.86Å; Y226-I271 HydrophobicContact CG-CD1 4.47Å; Y226-I271 HydrophobicContact CG-CG2 4.46Å; Y226-A272 CarbonylContact C-O 3.52Å; Y226-A272 WeakPolarHBondContact CA-O 3.4Å; Y226-A272 WeakPolarHBondContact CB-O 3.35Å
227	C	95.9	Very high	89.3	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.9	173.1	65.7	0	0	0	0	111	C238 I271 A272	C227-C238 HydrophobicContact CB-CB 4Å; C227-C238 WeakPolarHBondContact CB-SG 3.28Å; C227-C238 VanDerWaalsContact SG-CA 3.57Å; C227-C238 WeakPolarHBondContact SG-CB 3.49Å; C227-C238 CovalentContact SG-SG 2.04Å; C227-C238 PolarHBondContact SG-SG 3.1Å; C227-I271 WeakPolarHBondContact O-CA 3.39Å; C227-A272 PolarHBondContact N-O 3.06Å; C227-A272 PolarHBondContact O-N 2.75Å
228	L	95.7	Very high	90.6	Very high	79 Å²	79	41.6 Å²	41.6	41%	0.414	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.6	175.3	-60.1	176.3	0	0	0	110.6	Y226 I243 K269 I271	Y226-L228 HydrophobicContact CE2-CD2 4.49Å; L228-I243 HydrophobicContact CD1-CD1 4.31Å; L228-I243 HydrophobicContact CD2-CD1 4.5Å; L228-I243 HydrophobicContact CG-CD1 3.92Å; L228-K269 HydrophobicContact CD2-CB 4.43Å; L228-K269 HydrophobicContact CD2-CD 4.39Å; L228-I271 HydrophobicContact CD2-CG2 4.28Å
229	T	93.3	Very high	91.5	Very high	10 Å²	10	39.7 Å²	39.7	6%	0.061	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-87.3	-3.6	-176.2	70	0	0	0	0	114.6	G231 K232 S270 A272 V299	T229-G231 PolarHBondContact O-N 3.34Å; T229-G231 VanDerWaalsContact O-N 3.09Å; T229-K232 PolarHBondContact O-N 3.03Å; T229-S270 PolarHBondContact N-O 2.93Å; T229-S270 VanDerWaalsContact OG1-CB 3.31Å; T229-S270 WeakPolarHBondContact OG1-CB 3.31Å; T229-S270 PolarHBondContact OG1-O 3.4Å; T229-S270 PolarHBondContact OG1-OG 3.06Å; T229-A272 HydrophobicContact CG2-CB 4.25Å; T229-V299 HydrophobicContact CG2-CG1 3.52Å
230	T	89.1	Confident	92.2	Very high	133 Å²	133	45.6 Å²	45.6	82%	0.816	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-56.7	-28.4	-176.7	48.5	0	0	0	0	113.4
231	G	88.3	Confident	92.6	Very high	65 Å²	65	55.2 Å²	55.2	67%	0.67	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-91.5	7.5	176.4	0	0	0	0	0	115.5	T229	T229-G231 PolarHBondContact O-N 3.34Å; T229-G231 VanDerWaalsContact O-N 3.09Å
232	K	91.1	Very high	92.9	Very high	133 Å²	133	57 Å²	57	58%	0.578	29%	0.29	S	S	*	.			trans	48.2	62.5	-172.2	-62	-176.2	-179.4	179.8	0	111.7	T229 V298 V299	T229-K232 PolarHBondContact O-N 3.03Å; K232-V298 HydrophobicContact CB-CG1 3.64Å; K232-V298 WeakPolarHBondContact O-CG1 3.34Å; K232-V299 WeakPolarHBondContact CA-O 3.41Å
233	P	94.1	Very high	93.1	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.058	30%	0.303	C	S	.	.			trans	-68.9	150.6	179.7	30.6	-35.1	0	0	0	110.9	T237 V299	P233-T237 HydrophobicContact CB-CG2 4.15Å; P233-V299 HydrophobicContact CG-CB 4.34Å; P233-V299 HydrophobicContact CG-CG2 4.45Å; P233-V299 WeakPolarHBondContact O-CB 3.41Å; P233-V299 VanDerWaalsContact O-CG2 3.3Å; P233-V299 WeakPolarHBondContact O-CG2 3.35Å; P233-V299 PolarHBondContact O-N 2.89Å
234	N	94.3	Very high	93.2	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.251	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-92.9	177.4	158.8	65.4	32.5	0	0	0	110	I236 T237 C238 P297 V298	N234-I236 VanDerWaalsContact C-N 3.26Å; N234-I236 PolarHBondContact O-N 3.29Å; N234-I236 WeakPolarHBondContact OD1-CB 3.36Å; N234-I236 PolarHBondContact OD1-N 3.4Å; N234-T237 PolarHBondContact O-N 3.18Å; N234-T237 PolarHBondContact OD1-N 3.23Å; N234-T237 PolarHBondContact OD1-OG1 2.79Å; N234-T237 VanDerWaalsContact OD1-OG1 3.06Å; N234-C238 WeakPolarHBondContact O-CB 3.48Å; N234-C238 PolarHBondContact O-N 2.88Å; N234-P297 VanDerWaalsContact CB-O 3.31Å; N234-P297 WeakPolarHBondContact CB-O 3.48Å; N234-V298 HydrophobicContact CB-CG2 4.33Å
235	A	94	Very high	93.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-52.9	-42.6	179.5	0	0	0	0	0	112.7	I183 C238 Y239 P283 T286	I183-A235 HydrophobicContact CG1-CB 4.01Å; A235-C238 PolarHBondContact O-N 3.35Å; A235-Y239 WeakPolarHBondContact O-CB 3.33Å; A235-Y239 PolarHBondContact O-N 2.69Å; A235-P283 HydrophobicContact CB-CG 3.88Å; A235-T286 WeakPolarHBondContact CB-OG1 3.42Å
236	I	93.7	Very high	92.7	Very high	78 Å²	78	66.6 Å²	66.6	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-43	-179.3	-60	172.2	0	0	0	111.1	N234 C238 Y239 K240	N234-I236 VanDerWaalsContact C-N 3.26Å; N234-I236 PolarHBondContact O-N 3.29Å; N234-I236 WeakPolarHBondContact OD1-CB 3.36Å; N234-I236 PolarHBondContact OD1-N 3.4Å; I236-C238 VanDerWaalsContact C-N 3.33Å; I236-Y239 PolarHBondContact O-N 2.03Å; I236-K240 HydrophobicContact CG2-CD 4.25Å; I236-K240 HydrophobicContact CG2-CG 4.47Å; I236-K240 WeakPolarHBondContact O-CB 3.38Å; I236-K240 WeakPolarHBondContact O-CG 3.3Å; I236-K240 PolarHBondContact O-N 3.36Å
237	T	93.8	Very high	91.9	Very high	65 Å²	65	71.6 Å²	71.6	40%	0.399	38%	0.38	S	S	.	.	H	α-helix	trans	-65.1	-39.5	177.5	-51.2	0	0	0	0	111.1	P233 N234 K240 R241	P233-T237 HydrophobicContact CB-CG2 4.15Å; N234-T237 PolarHBondContact O-N 3.18Å; N234-T237 PolarHBondContact OD1-N 3.23Å; N234-T237 PolarHBondContact OD1-OG1 2.79Å; N234-T237 VanDerWaalsContact OD1-OG1 3.06Å; T237-K240 PolarHBondContact O-N 2.98Å; T237-R241 PolarHBondContact O-N 3.18Å
238	C	94.3	Very high	91.3	Very high	1 Å²	1	76.4 Å²	76.4	1%	0.007	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-46.6	175	-161.5	0	0	0	0	111.1	C227 N234 A235 I236 K240 R241	C227-C238 HydrophobicContact CB-CB 4Å; C227-C238 WeakPolarHBondContact CB-SG 3.28Å; C227-C238 VanDerWaalsContact SG-CA 3.57Å; C227-C238 WeakPolarHBondContact SG-CB 3.49Å; C227-C238 CovalentContact SG-SG 2.04Å; C227-C238 PolarHBondContact SG-SG 3.1Å; N234-C238 WeakPolarHBondContact O-CB 3.48Å; N234-C238 PolarHBondContact O-N 2.88Å; A235-C238 PolarHBondContact O-N 3.35Å; I236-C238 VanDerWaalsContact C-N 3.33Å; C238-K240 PolarHBondContact O-N 3.2Å; C238-R241 CarbonylContact O-C 3.59Å; C238-R241 PolarHBondContact O-N 2.81Å
239	Y	93.8	Very high	91	Very high	52 Å²	52	72.8 Å²	72.8	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-59.4	-38.7	174.2	164.9	-94.9	0	0	0	113.8	A235 I236 P242 K276 G282	A235-Y239 WeakPolarHBondContact O-CB 3.33Å; A235-Y239 PolarHBondContact O-N 2.69Å; I236-Y239 PolarHBondContact O-N 2.03Å; Y239-P242 WeakPolarHBondContact O-CD 3.42Å; Y239-K276 HydrophobicContact CD2-CB 3.91Å; Y239-K276 HydrophobicContact CD2-CD 4.41Å; Y239-K276 HydrophobicContact CE2-CB 3.91Å; Y239-K276 HydrophobicContact CE2-CD 4.24Å; Y239-G282 VanDerWaalsContact CD2-C 3.48Å; Y239-G282 WeakPolarHBondContact CE2-O 3.48Å; Y239-G282 VanDerWaalsContact CZ-N 3.33Å; Y239-G282 PolarHBondContact OH-N 2.84Å
240	K	92.3	Very high	90.9	Very high	154 Å²	154	73.1 Å²	73.1	67%	0.67	39%	0.388	S	S	*	.	H	α-helix	trans	-76.4	-26.1	-177.2	-77.1	-176.2	178.6	-176.2	0	114.1	I236 T237 C238 P242	I236-K240 HydrophobicContact CG2-CD 4.25Å; I236-K240 HydrophobicContact CG2-CG 4.47Å; I236-K240 WeakPolarHBondContact O-CB 3.38Å; I236-K240 WeakPolarHBondContact O-CG 3.3Å; I236-K240 PolarHBondContact O-N 3.36Å; T237-K240 PolarHBondContact O-N 2.98Å; C238-K240 PolarHBondContact O-N 3.2Å; K240-P242 VanDerWaalsContact C-CD 3.41Å
241	R	89.5	Confident	91	Very high	207 Å²	207	67.1 Å²	67.1	78%	0.781	35%	0.351	S	S	*	.	S	Bend	trans	-130.7	63	-179.8	-65.3	-175.9	-178.9	172.1	0	111.4	T237 C238	T237-R241 PolarHBondContact O-N 3.18Å; C238-R241 CarbonylContact O-C 3.59Å; C238-R241 PolarHBondContact O-N 2.81Å
242	P	90.6	Very high	90.9	Very high	44 Å²	44	67.1 Å²	67.1	29%	0.286	33%	0.334	S	S	.	.			trans	-78.9	159.7	-179.2	32.9	-33	0	0	0	111.8	E225 Y226 Y239 K240	E225-P242 HydrophobicContact CB-CB 3.62Å; E225-P242 HydrophobicContact CG-CB 4.1Å; E225-P242 WeakPolarHBondContact OE2-CB 2.91Å; E225-P242 WeakPolarHBondContact OE2-CG 3.28Å; Y226-P242 CarbonylContact O-C 3.53Å; Y239-P242 WeakPolarHBondContact O-CD 3.42Å; K240-P242 VanDerWaalsContact C-CD 3.41Å
243	I	94.7	Very high	90.7	Very high	64 Å²	64	63.2 Å²	63.2	33%	0.328	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.6	169.7	-53.5	172.6	0	0	0	106.9	Y226 L228	Y226-I243 HydrophobicContact CD1-CB 4.39Å; Y226-I243 WeakPolarHBondContact CD1-O 3.46Å; Y226-I243 HydrophobicContact CD2-CB 4.28Å; Y226-I243 HydrophobicContact CE1-CB 4.03Å; Y226-I243 HydrophobicContact CE1-CG2 3.84Å; Y226-I243 HydrophobicContact CE2-CB 3.89Å; Y226-I243 HydrophobicContact CE2-CD1 3.9Å; Y226-I243 HydrophobicContact CE2-CG1 4.45Å; Y226-I243 HydrophobicContact CE2-CG2 4.07Å; Y226-I243 VanDerWaalsContact CZ-CG2 3.5Å; Y226-I243 PolarHBondContact N-O 3.44Å; Y226-I243 WeakPolarHBondContact O-CA 3.43Å; Y226-I243 WeakPolarHBondContact O-CB 3.49Å; Y226-I243 PolarHBondContact O-N 2.8Å; Y226-I243 WeakPolarHBondContact OH-CG2 3.27Å; L228-I243 HydrophobicContact CD1-CD1 4.31Å; L228-I243 HydrophobicContact CD2-CD1 4.5Å; L228-I243 HydrophobicContact CG-CD1 3.92Å
244	Q	93	Very high	90.1	Very high	153 Å²	153	64 Å²	64	72%	0.715	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.6	178	-69.1	-178.2	-22.1	0	0	111	Y226	Y226-Q244 WeakPolarHBondContact CE1-O 3.33Å
245	F	92	Very high	89.6	Confident	24 Å²	24	63.4 Å²	63.4	11%	0.105	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.6	153.1	172.2	-72	-83	0	0	0	111.5	W224 E225 Y226 I250 L260 L265 I273	W224-F245 HydrophobicContact CB-CE2 4.27Å; W224-F245 WeakPolarHBondContact O-CD2 3.47Å; E225-F245 VanDerWaalsContact C-CE2 3.4Å; Y226-F245 AromaticContact CD1-CD1 3.66Å; Y226-F245 HydrophobicContact CD1-CD1 3.66Å; Y226-F245 HydrophobicContact CD1-CD2 4.2Å; Y226-F245 AromaticContact CD1-CE1 3.59Å; Y226-F245 HydrophobicContact CD1-CE1 3.59Å; Y226-F245 HydrophobicContact CD1-CE2 4.16Å; Y226-F245 AromaticContact CD1-CG 3.99Å; Y226-F245 HydrophobicContact CD1-CG 3.99Å; Y226-F245 AromaticContact CD1-CZ 3.87Å; Y226-F245 HydrophobicContact CD1-CZ 3.87Å; Y226-F245 HydrophobicContact CE1-CD1 4.12Å; Y226-F245 HydrophobicContact CE1-CE1 4.41Å; Y226-F245 HydrophobicContact CE1-CG 4.46Å; Y226-F245 HydrophobicContact CG-CE1 4.16Å; Y226-F245 HydrophobicContact CG-CZ 4.22Å; F245-I250 HydrophobicContact CB-CD1 3.62Å; F245-I250 HydrophobicContact CB-CG1 3.73Å; F245-I250 HydrophobicContact CB-CG2 4.32Å; F245-I250 HydrophobicContact CD1-CG2 3.66Å; F245-I250 HydrophobicContact CD2-CD1 3.49Å; F245-I250 VanDerWaalsContact CD2-CD1 3.49Å; F245-I250 HydrophobicContact CD2-CG1 4.33Å; F245-I250 HydrophobicContact CD2-CG2 4.18Å; F245-I250 HydrophobicContact CE1-CG2 3.88Å; F245-I250 HydrophobicContact CE2-CD1 4.24Å; F245-I250 HydrophobicContact CE2-CG2 4.35Å; F245-I250 HydrophobicContact CG-CD1 3.66Å; F245-I250 HydrophobicContact CG-CG1 4.02Å; F245-I250 HydrophobicContact CG-CG2 3.8Å; F245-I250 HydrophobicContact CZ-CG2 4.2Å; F245-L260 HydrophobicContact CE1-CD1 4.3Å; F245-L265 HydrophobicContact CD1-CD2 3.63Å; F245-L265 HydrophobicContact CE1-CD2 3.65Å; F245-I273 HydrophobicContact CE1-CD1 4.37Å; F245-I273 HydrophobicContact CE2-CG2 4.32Å; F245-I273 HydrophobicContact CZ-CD1 3.87Å; F245-I273 HydrophobicContact CZ-CG1 3.9Å; F245-I273 HydrophobicContact CZ-CG2 4.05Å
246	S	87.7	Confident	89.3	Confident	57 Å²	57	63.3 Å²	63.3	40%	0.399	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.4	149.4	163.8	89.1	0	0	0	0	109.6	N248 S249	S246-N248 PolarHBondContact O-N 2.83Å; S246-S249 WeakPolarHBondContact O-CB 3.12Å; S246-S249 PolarHBondContact O-N 2.78Å; S246-S249 PolarHBondContact OG-N 3.41Å; S246-S249 PolarHBondContact OG-OG 3.33Å
247	P	78.2	Confident	89.2	Confident	121 Å²	121	59.8 Å²	59.8	79%	0.786	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.2	179.5	-27.2	35	0	0	0	114.9
248	N	83.3	Confident	89.1	Confident	107 Å²	107	56.9 Å²	56.9	57%	0.572	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.3	179.9	-66.3	-20.3	0	0	0	113.4	S246 T261 T367	S246-N248 PolarHBondContact O-N 2.83Å; N248-T261 PolarHBondContact O-OG1 2.95Å; N248-T367 WeakPolarHBondContact OD1-CG2 3.45Å
249	S	90.6	Very high	89.1	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.028	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-24.2	-175.6	-60	0	0	0	0	113.1	S246 T261 D262	S246-S249 WeakPolarHBondContact O-CB 3.12Å; S246-S249 PolarHBondContact O-N 2.78Å; S246-S249 PolarHBondContact OG-N 3.41Å; S246-S249 PolarHBondContact OG-OG 3.33Å; S249-T261 PolarHBondContact O-N 3.16Å; S249-T261 PolarHBondContact O-OG1 2.85Å; S249-D262 PolarHBondContact O-N 3.01Å; S249-D262 PolarHBondContact OG-OD2 3.05Å
250	I	91.2	Very high	89.2	Confident	17 Å²	17	55.7 Å²	55.7	9%	0.087	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156	-178.4	61.5	169.1	0	0	0	112.4	W224 F245 E252 V258 Y259 L260 T261	W224-I250 HydrophobicContact CB-CD1 4.23Å; F245-I250 HydrophobicContact CB-CD1 3.62Å; F245-I250 HydrophobicContact CB-CG1 3.73Å; F245-I250 HydrophobicContact CB-CG2 4.32Å; F245-I250 HydrophobicContact CD1-CG2 3.66Å; F245-I250 HydrophobicContact CD2-CD1 3.49Å; F245-I250 VanDerWaalsContact CD2-CD1 3.49Å; F245-I250 HydrophobicContact CD2-CG1 4.33Å; F245-I250 HydrophobicContact CD2-CG2 4.18Å; F245-I250 HydrophobicContact CE1-CG2 3.88Å; F245-I250 HydrophobicContact CE2-CD1 4.24Å; F245-I250 HydrophobicContact CE2-CG2 4.35Å; F245-I250 HydrophobicContact CG-CD1 3.66Å; F245-I250 HydrophobicContact CG-CG1 4.02Å; F245-I250 HydrophobicContact CG-CG2 3.8Å; F245-I250 HydrophobicContact CZ-CG2 4.2Å; I250-E252 HydrophobicContact CD1-CG 3.59Å; I250-E252 WeakPolarHBondContact CD1-OE1 3.4Å; I250-E252 HydrophobicContact CG1-CG 4.27Å; I250-V258 HydrophobicContact CB-CG2 3.65Å; I250-V258 HydrophobicContact CD1-CG2 4Å; I250-V258 HydrophobicContact CG1-CG2 4.35Å; I250-V258 HydrophobicContact CG2-CG2 4Å; I250-Y259 CarbonylContact C-O 3.53Å; I250-Y259 WeakPolarHBondContact CA-O 3.46Å; I250-L260 HydrophobicContact CG2-CD1 3.98Å; I250-T261 PolarHBondContact N-OG1 3.05Å
251	V	90.1	Very high	89.2	Confident	7 Å²	7	49 Å²	49	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.3	165.7	178.4	0	0	0	0	108.4	F253 V258 Y259 T261 R340 L342	V251-F253 HydrophobicContact CG1-CE2 3.83Å; V251-F253 HydrophobicContact CG1-CZ 4.23Å; V251-V258 CarbonylContact O-C 3.48Å; V251-V258 WeakPolarHBondContact O-CA 3.31Å; V251-Y259 PolarHBondContact N-O 3.31Å; V251-Y259 PolarHBondContact O-N 3.04Å; V251-T261 HydrophobicContact CG2-CG2 3.96Å; V251-R340 HydrophobicContact CG1-CB 4.49Å; V251-R340 HydrophobicContact CG1-CG 3.98Å; V251-L342 HydrophobicContact CB-CD2 4.28Å; V251-L342 HydrophobicContact CG2-CD2 4.18Å
252	E	86.8	Confident	89.3	Confident	65 Å²	65	41.4 Å²	41.4	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.8	-177.3	-60.8	-176.3	174.7	0	0	112.1	W224 I250 V258 R340	W224-E252 WeakPolarHBondContact CB-OE1 3.3Å; I250-E252 HydrophobicContact CD1-CG 3.59Å; I250-E252 WeakPolarHBondContact CD1-OE1 3.4Å; I250-E252 HydrophobicContact CG1-CG 4.27Å; E252-V258 HydrophobicContact CG-CG2 3.9Å; E252-R340 PolarHBondContact O-NE 2.81Å; E252-R340 PolarHBondContact O-NH1 2.81Å; E252-R340 PolarHBondContact O-NH2 2.96Å; E252-R340 VanDerWaalsContact O-NH2 3.11Å
253	F	86.1	Confident	89.3	Confident	51 Å²	51	40.9 Å²	40.9	22%	0.224	22%	0.222	C	C	.	.			trans	-121.5	146.7	172.7	-68.2	-98.7	0	0	0	110.6	V251 N255 G256 S257 Y259 T320 R340 L342	V251-F253 HydrophobicContact CG1-CE2 3.83Å; V251-F253 HydrophobicContact CG1-CZ 4.23Å; F253-N255 WeakPolarHBondContact CB-OD1 3.38Å; F253-N255 PolarHBondContact O-N 3.11Å; F253-N255 VanDerWaalsContact O-N 3.12Å; F253-G256 PolarHBondContact O-N 2.85Å; F253-S257 PolarHBondContact N-O 3.03Å; F253-Y259 HydrophobicContact CD2-CD2 4.03Å; F253-Y259 HydrophobicContact CD2-CE2 4.1Å; F253-Y259 AromaticContact CE2-CD2 3.57Å; F253-Y259 HydrophobicContact CE2-CD2 3.57Å; F253-Y259 AromaticContact CE2-CE2 3.69Å; F253-Y259 HydrophobicContact CE2-CE2 3.69Å; F253-Y259 HydrophobicContact CZ-CE2 4.49Å; F253-T320 HydrophobicContact CZ-CG2 4.48Å; F253-R340 HydrophobicContact CE1-CB 4.5Å; F253-R340 HydrophobicContact CZ-CB 4.24Å; F253-L342 HydrophobicContact CE2-CD1 3.75Å; F253-L342 HydrophobicContact CZ-CD1 3.83Å
254	I	82.5	Confident	89.2	Confident	24 Å²	24	43.5 Å²	43.5	12%	0.123	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.2	-177.1	-149.9	170.3	0	0	0	112.5	L175 W208 G220 G256	L175-I254 WeakPolarHBondContact CD1-O 3.46Å; W208-I254 HydrophobicContact CH2-CG1 4.48Å; W208-I254 HydrophobicContact CH2-CG2 3.72Å; W208-I254 HydrophobicContact CZ3-CG2 3.42Å; W208-I254 VanDerWaalsContact CZ3-CG2 3.42Å; G220-I254 VanDerWaalsContact CA-CG1 3.49Å; I254-G256 PolarHBondContact O-N 3.06Å
255	N	83.6	Confident	89.2	Confident	35 Å²	35	36.8 Å²	36.8	19%	0.187	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	1.1	175.4	72.9	-7.3	0	0	0	113.7	V205 F253 S257	V205-N255 HydrophobicContact CB-CB 4.39Å; V205-N255 HydrophobicContact CG1-CB 4.43Å; V205-N255 HydrophobicContact CG2-CB 3.65Å; F253-N255 WeakPolarHBondContact CB-OD1 3.38Å; F253-N255 PolarHBondContact O-N 3.11Å; F253-N255 VanDerWaalsContact O-N 3.12Å; N255-S257 PolarHBondContact ND2-OG 2.99Å; N255-S257 VanDerWaalsContact OD1-CB 3.26Å; N255-S257 WeakPolarHBondContact OD1-CB 3.35Å; N255-S257 PolarHBondContact OD1-N 2.8Å; N255-S257 PolarHBondContact OD1-OG 3.29Å; N255-S257 VanDerWaalsContact OD1-OG 3.05Å
256	G	88.3	Confident	89.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	82.3	15.1	-178.8	0	0	0	0	0	113.9	C198 W224 F253 I254	C198-G256 VanDerWaalsContact CB-O 3.24Å; C198-G256 WeakPolarHBondContact CB-O 3.43Å; C198-G256 PolarHBondContact N-O 3.01Å; W224-G256 WeakPolarHBondContact CZ2-O 3.46Å; F253-G256 PolarHBondContact O-N 2.85Å; I254-G256 PolarHBondContact O-N 3.06Å
257	S	90.2	Very high	89.5	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	144.8	167.3	-51.5	0	0	0	0	110	L196 F253 N255	L196-S257 CarbonylContact O-C 3.53Å; L196-S257 WeakPolarHBondContact O-CA 3.41Å; F253-S257 PolarHBondContact N-O 3.03Å; N255-S257 PolarHBondContact ND2-OG 2.99Å; N255-S257 VanDerWaalsContact OD1-CB 3.26Å; N255-S257 WeakPolarHBondContact OD1-CB 3.35Å; N255-S257 PolarHBondContact OD1-N 2.8Å; N255-S257 PolarHBondContact OD1-OG 3.29Å; N255-S257 VanDerWaalsContact OD1-OG 3.05Å
258	V	92.8	Very high	90.1	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.1	170.5	68.7	0	0	0	0	109.3	E195 L196 W224 I250 V251 E252	E195-V258 CarbonylContact C-O 3.48Å; E195-V258 WeakPolarHBondContact CA-O 3.36Å; L196-V258 HydrophobicContact CB-CG1 3.72Å; L196-V258 HydrophobicContact CD1-CG1 4.48Å; L196-V258 PolarHBondContact N-O 2.68Å; L196-V258 PolarHBondContact O-N 2.65Å; W224-V258 HydrophobicContact CB-CG2 4.48Å; W224-V258 HydrophobicContact CD2-CB 3.82Å; W224-V258 HydrophobicContact CD2-CG1 3.39Å; W224-V258 HydrophobicContact CE3-CB 4.5Å; W224-V258 HydrophobicContact CE3-CG1 3.6Å; W224-V258 HydrophobicContact CG-CB 3.87Å; W224-V258 HydrophobicContact CG-CG1 3.92Å; W224-V258 HydrophobicContact CG-CG2 4.18Å; W224-V258 HydrophobicContact CH2-CG1 3.7Å; W224-V258 HydrophobicContact CZ2-CB 4.08Å; W224-V258 HydrophobicContact CZ2-CG1 3.51Å; W224-V258 HydrophobicContact CZ3-CG1 3.75Å; I250-V258 HydrophobicContact CB-CG2 3.65Å; I250-V258 HydrophobicContact CD1-CG2 4Å; I250-V258 HydrophobicContact CG1-CG2 4.35Å; I250-V258 HydrophobicContact CG2-CG2 4Å; V251-V258 CarbonylContact O-C 3.48Å; V251-V258 WeakPolarHBondContact O-CA 3.31Å; E252-V258 HydrophobicContact CG-CG2 3.9Å
259	Y	94.4	Very high	90.5	Very high	27 Å²	27	35 Å²	35	11%	0.106	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.3	170.8	-71.2	-97.4	0	0	0	108.9	P193 Y194 E195 I250 V251 F253 T261 L319 L342	P193-Y259 HydrophobicContact CB-CD1 4.05Å; P193-Y259 HydrophobicContact CB-CG 4.48Å; Y194-Y259 CarbonylContact O-C 3.51Å; Y194-Y259 WeakPolarHBondContact O-CA 3.39Å; E195-Y259 HydrophobicContact CB-CD1 3.98Å; E195-Y259 HydrophobicContact CB-CE1 3.6Å; E195-Y259 VanDerWaalsContact CD-OH 3.28Å; E195-Y259 HydrophobicContact CG-CD1 4.43Å; E195-Y259 HydrophobicContact CG-CE1 3.86Å; E195-Y259 HydrophobicContact CG-CE2 4.19Å; E195-Y259 PolarHBondContact OE2-OH 3.05Å; I250-Y259 CarbonylContact C-O 3.53Å; I250-Y259 WeakPolarHBondContact CA-O 3.46Å; V251-Y259 PolarHBondContact N-O 3.31Å; V251-Y259 PolarHBondContact O-N 3.04Å; F253-Y259 HydrophobicContact CD2-CD2 4.03Å; F253-Y259 HydrophobicContact CD2-CE2 4.1Å; F253-Y259 AromaticContact CE2-CD2 3.57Å; F253-Y259 HydrophobicContact CE2-CD2 3.57Å; F253-Y259 AromaticContact CE2-CE2 3.69Å; F253-Y259 HydrophobicContact CE2-CE2 3.69Å; F253-Y259 HydrophobicContact CZ-CE2 4.49Å; Y259-T261 PolarHBondContact O-N 2.7Å; Y259-L319 HydrophobicContact CE1-CD1 4.38Å; Y259-L342 HydrophobicContact CD1-CD1 3.89Å; Y259-L342 HydrophobicContact CD2-CD1 3.29Å; Y259-L342 HydrophobicContact CE1-CD1 4.1Å; Y259-L342 HydrophobicContact CE2-CD1 3.52Å; Y259-L342 HydrophobicContact CG-CD1 3.47Å; Y259-L342 VanDerWaalsContact CG-CD1 3.47Å; Y259-L342 HydrophobicContact CG-CD2 4.38Å
260	L	95	Very high	90.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.7	169.6	-175.4	67.6	0	0	0	108.3	I189 F192 P193 Y194 F245 I250 L265 V266 I273	I189-L260 HydrophobicContact CD1-CD2 4.2Å; F192-L260 HydrophobicContact CD1-CG 4.44Å; F192-L260 WeakPolarHBondContact CD1-O 3.36Å; F192-L260 HydrophobicContact CE1-CD2 3.81Å; F192-L260 HydrophobicContact CE1-CG 3.93Å; P193-L260 CarbonylContact C-O 3.6Å; P193-L260 VanDerWaalsContact CA-O 3.25Å; P193-L260 WeakPolarHBondContact CA-O 3.47Å; Y194-L260 PolarHBondContact N-O 2.95Å; Y194-L260 PolarHBondContact O-N 3.11Å; F245-L260 HydrophobicContact CE1-CD1 4.3Å; I250-L260 HydrophobicContact CG2-CD1 3.98Å; L260-L265 HydrophobicContact CD1-CD2 4.39Å; L260-V266 HydrophobicContact CD2-CG2 3.56Å; L260-I273 HydrophobicContact CD1-CD1 4.39Å; L260-I273 HydrophobicContact CD2-CD1 4.28Å
261	T	92.9	Very high	90.9	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.08	19%	0.193	C	C	.	.			trans	-105.9	-22.5	-171.6	47.3	0	0	0	0	113.3	P193 N248 S249 I250 V251 Y259 L342 Y369	P193-T261 HydrophobicContact CB-CG2 4.01Å; P193-T261 HydrophobicContact CG-CG2 4.11Å; N248-T261 PolarHBondContact O-OG1 2.95Å; S249-T261 PolarHBondContact O-N 3.16Å; S249-T261 PolarHBondContact O-OG1 2.85Å; I250-T261 PolarHBondContact N-OG1 3.05Å; V251-T261 HydrophobicContact CG2-CG2 3.96Å; Y259-T261 PolarHBondContact O-N 2.7Å; T261-L342 HydrophobicContact CG2-CD2 4.44Å; T261-Y369 HydrophobicContact CG2-CD2 3.42Å; T261-Y369 VanDerWaalsContact CG2-CD2 3.42Å; T261-Y369 HydrophobicContact CG2-CE2 3.6Å; T261-Y369 HydrophobicContact CG2-CG 4.42Å
262	D	91.1	Very high	91.2	Very high	49 Å²	49	36.3 Å²	36.3	26%	0.262	19%	0.191	S	C	.	.			trans	-103.6	103.1	-177.3	178.5	12.4	0	0	0	111.7	S249 H264 L265	S249-D262 PolarHBondContact O-N 3.01Å; S249-D262 PolarHBondContact OG-OD2 3.05Å; D262-H264 VanDerWaalsContact C-N 3.32Å; D262-H264 VanDerWaalsContact OD1-CB 3.27Å; D262-H264 WeakPolarHBondContact OD1-CB 2.87Å; D262-H264 PolarHBondContact OD1-N 3.17Å; D262-L265 HydrophobicContact CB-CB 4.37Å; D262-L265 PolarHBondContact O-N 3.39Å; D262-L265 PolarHBondContact OD1-N 3.45Å
263	A	91.1	Very high	91.7	Very high	33 Å²	33	33.3 Å²	33.3	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-64.6	-35.1	175.2	0	0	0	0	0	112.4	F192 L265 V266 E267 I305	F192-A263 HydrophobicContact CD1-CB 4.27Å; F192-A263 HydrophobicContact CD2-CB 3.96Å; F192-A263 HydrophobicContact CE1-CB 4.12Å; F192-A263 HydrophobicContact CE2-CB 3.82Å; F192-A263 HydrophobicContact CG-CB 4.2Å; F192-A263 HydrophobicContact CZ-CB 3.91Å; A263-L265 PolarHBondContact O-N 2.98Å; A263-V266 PolarHBondContact O-N 3.17Å; A263-E267 PolarHBondContact O-N 2.89Å; A263-E267 VanDerWaalsContact O-N 3.09Å; A263-I305 HydrophobicContact CB-CD1 3.71Å
264	H	92.4	Very high	92.2	Very high	119 Å²	119	31 Å²	31	55%	0.551	17%	0.166	S	C	*	.	H	α-helix	trans	-62.6	-32.8	-177.9	-179	-65.3	0	0	0	111.1	D262 V266 E267 S268	D262-H264 VanDerWaalsContact C-N 3.32Å; D262-H264 VanDerWaalsContact OD1-CB 3.27Å; D262-H264 WeakPolarHBondContact OD1-CB 2.87Å; D262-H264 PolarHBondContact OD1-N 3.17Å; H264-V266 VanDerWaalsContact C-N 3.26Å; H264-V266 PolarHBondContact O-N 3.26Å; H264-E267 PolarHBondContact O-N 2.65Å; H264-S268 VanDerWaalsContact CE1-CB 3.49Å; H264-S268 WeakPolarHBondContact CE1-CB 3.28Å; H264-S268 PolarHBondContact ND1-OG 2.81Å; H264-S268 VanDerWaalsContact O-CB 3.24Å; H264-S268 WeakPolarHBondContact O-CB 3.42Å; H264-S268 PolarHBondContact O-N 3.45Å; H264-S268 PolarHBondContact O-OG 3.43Å
265	L	93.5	Very high	92.8	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-41.3	175.2	179.9	61	0	0	0	112.1	F245 L260 D262 A263 K269 I271	F245-L265 HydrophobicContact CD1-CD2 3.63Å; F245-L265 HydrophobicContact CE1-CD2 3.65Å; L260-L265 HydrophobicContact CD1-CD2 4.39Å; D262-L265 HydrophobicContact CB-CB 4.37Å; D262-L265 PolarHBondContact O-N 3.39Å; D262-L265 PolarHBondContact OD1-N 3.45Å; A263-L265 PolarHBondContact O-N 2.98Å; L265-K269 HydrophobicContact CD1-CD 4.23Å; L265-K269 PolarHBondContact O-N 3.38Å; L265-I271 HydrophobicContact CD2-CD1 4.15Å; L265-I271 HydrophobicContact CG-CD1 3.98Å
266	V	93.7	Very high	93.2	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-76.3	-37.1	179.2	-177.8	0	0	0	0	111.5	F192 L260 A263 H264 K269 L303 I305	F192-V266 HydrophobicContact CZ-CG2 4.42Å; L260-V266 HydrophobicContact CD2-CG2 3.56Å; A263-V266 PolarHBondContact O-N 3.17Å; H264-V266 VanDerWaalsContact C-N 3.26Å; H264-V266 PolarHBondContact O-N 3.26Å; V266-K269 VanDerWaalsContact O-O 3.11Å; V266-L303 VanDerWaalsContact CG1-C 3.45Å; V266-L303 HydrophobicContact CG1-CB 3.81Å; V266-L303 VanDerWaalsContact CG1-O 3.31Å; V266-L303 WeakPolarHBondContact CG1-O 3.37Å; V266-I305 HydrophobicContact CB-CD1 4.46Å; V266-I305 HydrophobicContact CB-CG1 4.28Å; V266-I305 HydrophobicContact CG1-CG1 4.03Å
267	E	91.9	Very high	93.3	Very high	112 Å²	112	31.3 Å²	31.3	52%	0.523	17%	0.166	S	C	.	.	H	α-helix	trans	-70.9	-40.3	179	-65	-169.9	140.9	0	0	113	A263 H264 I305	A263-E267 PolarHBondContact O-N 2.89Å; A263-E267 VanDerWaalsContact O-N 3.09Å; H264-E267 PolarHBondContact O-N 2.65Å; E267-I305 HydrophobicContact CG-CD1 3.4Å; E267-I305 HydrophobicContact CG-CG1 4.07Å
268	S	91.6	Very high	92.9	Very high	64 Å²	64	34.5 Å²	34.5	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-81.5	-23.5	-174.8	62.4	0	0	0	0	113.5	H264	H264-S268 VanDerWaalsContact CE1-CB 3.49Å; H264-S268 WeakPolarHBondContact CE1-CB 3.28Å; H264-S268 PolarHBondContact ND1-OG 2.81Å; H264-S268 VanDerWaalsContact O-CB 3.24Å; H264-S268 WeakPolarHBondContact O-CB 3.42Å; H264-S268 PolarHBondContact O-N 3.45Å; H264-S268 PolarHBondContact O-OG 3.43Å
269	K	91.6	Very high	92.1	Very high	91 Å²	91	37.1 Å²	37.1	40%	0.396	21%	0.212	S	C	.	.	S	Bend	trans	-138.1	129.3	-175.5	-61	177.1	-171	171.4	0	110.3	L228 L265 V266 I271	L228-K269 HydrophobicContact CD2-CB 4.43Å; L228-K269 HydrophobicContact CD2-CD 4.39Å; L265-K269 HydrophobicContact CD1-CD 4.23Å; L265-K269 PolarHBondContact O-N 3.38Å; V266-K269 VanDerWaalsContact O-O 3.11Å; K269-I271 HydrophobicContact CB-CG2 3.69Å; K269-I271 PolarHBondContact O-N 2.71Å; K269-I271 VanDerWaalsContact O-N 3.1Å
270	S	93.8	Very high	91.5	Very high	55 Å²	55	38.4 Å²	38.4	39%	0.385	22%	0.219	S	C	.	.			trans	-73.7	103.1	167.3	-175.4	0	0	0	0	109.4	T229 G302	T229-S270 PolarHBondContact N-O 2.93Å; T229-S270 VanDerWaalsContact OG1-CB 3.31Å; T229-S270 WeakPolarHBondContact OG1-CB 3.31Å; T229-S270 PolarHBondContact OG1-O 3.4Å; T229-S270 PolarHBondContact OG1-OG 3.06Å; S270-G302 WeakPolarHBondContact OG-CA 3.41Å; S270-G302 PolarHBondContact OG-N 2.81Å
271	I	95.9	Very high	91	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.3	-174	62.4	165.9	0	0	0	112.6	Y226 C227 L228 L265 K269 I273 G302 L303	Y226-I271 HydrophobicContact CD2-CB 3.98Å; Y226-I271 HydrophobicContact CD2-CG2 3.54Å; Y226-I271 HydrophobicContact CE2-CG2 3.86Å; Y226-I271 HydrophobicContact CG-CD1 4.47Å; Y226-I271 HydrophobicContact CG-CG2 4.46Å; C227-I271 WeakPolarHBondContact O-CA 3.39Å; L228-I271 HydrophobicContact CD2-CG2 4.28Å; L265-I271 HydrophobicContact CD2-CD1 4.15Å; L265-I271 HydrophobicContact CG-CD1 3.98Å; K269-I271 HydrophobicContact CB-CG2 3.69Å; K269-I271 PolarHBondContact O-N 2.71Å; K269-I271 VanDerWaalsContact O-N 3.1Å; I271-I273 HydrophobicContact CD1-CG1 4.33Å; I271-G302 CarbonylContact O-C 3.44Å; I271-G302 WeakPolarHBondContact O-CA 3.49Å; I271-L303 PolarHBondContact O-N 3.02Å
272	A	96.7	Very high	90.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.3	161.2	0	0	0	0	0	108.8	Y226 C227 T229 F287 A288 V299	Y226-A272 CarbonylContact C-O 3.52Å; Y226-A272 WeakPolarHBondContact CA-O 3.4Å; Y226-A272 WeakPolarHBondContact CB-O 3.35Å; C227-A272 PolarHBondContact N-O 3.06Å; C227-A272 PolarHBondContact O-N 2.75Å; T229-A272 HydrophobicContact CG2-CB 4.25Å; A272-F287 CarbonylContact C-O 3.49Å; A272-F287 VanDerWaalsContact CA-O 3.25Å; A272-F287 WeakPolarHBondContact CA-O 3.25Å; A272-F287 WeakPolarHBondContact CB-O 3.31Å; A272-A288 HydrophobicContact CB-CB 4.09Å; A272-V299 HydrophobicContact CB-CG2 4.18Å
273	I	97.2	Very high	91	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135	-177.3	-60.7	-175.9	0	0	0	108.6	L196 W224 F245 L260 I271 T286 F287 L303	L196-I273 HydrophobicContact CD1-CB 4.31Å; L196-I273 HydrophobicContact CD1-CD1 3.7Å; L196-I273 HydrophobicContact CD1-CG2 4.13Å; W224-I273 HydrophobicContact CE3-CG2 3.63Å; W224-I273 HydrophobicContact CZ3-CG2 3.84Å; F245-I273 HydrophobicContact CE1-CD1 4.37Å; F245-I273 HydrophobicContact CE2-CG2 4.32Å; F245-I273 HydrophobicContact CZ-CD1 3.87Å; F245-I273 HydrophobicContact CZ-CG1 3.9Å; F245-I273 HydrophobicContact CZ-CG2 4.05Å; L260-I273 HydrophobicContact CD1-CD1 4.39Å; L260-I273 HydrophobicContact CD2-CD1 4.28Å; I271-I273 HydrophobicContact CD1-CG1 4.33Å; I273-T286 CarbonylContact O-C 3.49Å; I273-T286 VanDerWaalsContact O-CA 3.3Å; I273-T286 WeakPolarHBondContact O-CA 3.46Å; I273-F287 HydrophobicContact CB-CB 4.43Å; I273-F287 PolarHBondContact N-O 3.37Å; I273-F287 PolarHBondContact O-N 2.99Å; I273-L303 HydrophobicContact CD1-CD1 3.45Å; I273-L303 VanDerWaalsContact CD1-CD1 3.45Å; I273-L303 HydrophobicContact CG1-CD1 3.69Å
274	V	96.4	Very high	91.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.9	178.7	60.8	0	0	0	0	109.9	E225 P283	E225-V274 HydrophobicContact CB-CG1 4.21Å; E225-V274 PolarHBondContact N-O 3Å; E225-V274 PolarHBondContact O-N 3.33Å; V274-P283 HydrophobicContact CG2-CB 3.73Å
275	C	95.5	Very high	91.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.4	164	-178.1	0	0	0	0	109.6	C198 R223 W224 I284 R285	C198-C275 HydrophobicContact CB-CB 3.76Å; C198-C275 WeakPolarHBondContact CB-SG 3.33Å; C198-C275 WeakPolarHBondContact SG-CB 3.34Å; C198-C275 CovalentContact SG-SG 2.01Å; C198-C275 PolarHBondContact SG-SG 3.02Å; R223-C275 WeakPolarHBondContact O-CA 3.17Å; W224-C275 HydrophobicContact CD2-CB 4.02Å; W224-C275 HydrophobicContact CE3-CB 3.78Å; W224-C275 HydrophobicContact CH2-CB 3.87Å; W224-C275 HydrophobicContact CZ2-CB 4.08Å; W224-C275 HydrophobicContact CZ3-CB 3.71Å; C275-I284 PolarHBondContact O-N 3.1Å; C275-R285 PolarHBondContact N-O 3.25Å; C275-R285 PolarHBondContact O-N 2.85Å
276	K	92.1	Very high	91.4	Very high	42 Å²	42	39 Å²	39	18%	0.183	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	160.8	175.5	68.1	-177.5	-176.8	-170.3	0	111.6	Y222 R223 E225 Y239	Y222-K276 CarbonylContact C-O 3.54Å; Y222-K276 WeakPolarHBondContact CA-O 3.45Å; R223-K276 HydrophobicContact CB-CD 4.31Å; R223-K276 HydrophobicContact CB-CG 3.74Å; R223-K276 PolarHBondContact N-O 2.93Å; R223-K276 PolarHBondContact O-N 3.41Å; E225-K276 VanDerWaalsContact CD-CE 3.49Å; E225-K276 WeakPolarHBondContact OE1-CE 3.44Å; E225-K276 IonicContact OE1-NZ 2.79Å; E225-K276 PolarHBondContact OE1-NZ 3.08Å; E225-K276 WeakPolarHBondContact OE2-CE 3.3Å; E225-K276 IonicContact OE2-NZ 2.7Å; E225-K276 PolarHBondContact OE2-NZ 3.06Å; Y239-K276 HydrophobicContact CD2-CB 3.91Å; Y239-K276 HydrophobicContact CD2-CD 4.41Å; Y239-K276 HydrophobicContact CE2-CB 3.91Å; Y239-K276 HydrophobicContact CE2-CD 4.24Å
277	H	89.1	Confident	91.6	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.111	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133	172.6	-164	-84.6	0	0	0	109.5	L175 P221 G279 Q280 I284	L175-H277 PolarHBondContact O-NE2 3.47Å; P221-H277 WeakPolarHBondContact CB-NE2 3.41Å; P221-H277 CarbonylContact O-C 3.55Å; P221-H277 WeakPolarHBondContact O-CA 3.39Å; H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 WeakPolarHBondContact ND1-CA 3.28Å; H277-G279 PolarHBondContact ND1-N 3.26Å; H277-G279 PolarHBondContact O-N 3Å; H277-Q280 HydrophobicContact CB-CB 3.97Å; H277-Q280 HydrophobicContact CB-CG 4.1Å; H277-Q280 PolarHBondContact O-N 3.34Å; H277-I284 HydrophobicContact CB-CD1 3.59Å; H277-I284 HydrophobicContact CB-CG1 4.14Å
278	V	82.3	Confident	91.8	Very high	72 Å²	72	34 Å²	34	44%	0.436	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.8	179.2	176.1	0	0	0	0	111.7	P221 R223	P221-V278 WeakPolarHBondContact O-CG2 3.5Å; P221-V278 PolarHBondContact O-N 3.15Å; R223-V278 HydrophobicContact CG-CG2 3.77Å
279	G	76.7	Confident	92	Very high	57 Å²	57	31.7 Å²	31.7	59%	0.588	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	8.9	-179.2	0	0	0	0	0	117.3	H277	H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 WeakPolarHBondContact ND1-CA 3.28Å; H277-G279 PolarHBondContact ND1-N 3.26Å; H277-G279 PolarHBondContact O-N 3Å
280	Q	80.7	Confident	92.2	Very high	55 Å²	55	32 Å²	32	26%	0.257	18%	0.184	S	C	.	.	S	Bend	trans	-131.9	149	-179.3	-59.8	177.6	-20.4	0	0	112.2	G177 P179 H277 G282	G177-Q280 VanDerWaalsContact O-CD 3.26Å; G177-Q280 PolarHBondContact O-NE2 3.11Å; G177-Q280 PolarHBondContact O-OE1 2.96Å; P179-Q280 HydrophobicContact CG-CB 4.45Å; H277-Q280 HydrophobicContact CB-CB 3.97Å; H277-Q280 HydrophobicContact CB-CG 4.1Å; H277-Q280 PolarHBondContact O-N 3.34Å; Q280-G282 PolarHBondContact O-N 3.19Å
281	L	84.5	Confident	92.3	Very high	157 Å²	157	30.7 Å²	30.7	82%	0.822	17%	0.173	S	C	*	.	S	Bend	trans	-85.5	111	174.6	-66.9	175.4	0	0	0	110.4
282	G	90.8	Very high	92.2	Very high	12 Å²	12	32.5 Å²	32.5	12%	0.124	19%	0.185	C	C	.	.	S	Bend	trans	122	167.4	171.1	0	0	0	0	0	114.2	Y239 Q280	Y239-G282 VanDerWaalsContact CD2-C 3.48Å; Y239-G282 WeakPolarHBondContact CE2-O 3.48Å; Y239-G282 VanDerWaalsContact CZ-N 3.33Å; Y239-G282 PolarHBondContact OH-N 2.84Å; Q280-G282 PolarHBondContact O-N 3.19Å
283	P	93.5	Very high	91.8	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	139.5	173.9	27.2	-31.6	0	0	0	110.4	P179 S180 A235 V274	P179-P283 CarbonylContact C-O 3.57Å; P179-P283 VanDerWaalsContact CA-O 3.31Å; P179-P283 WeakPolarHBondContact CA-O 3.32Å; S180-P283 PolarHBondContact N-O 3.41Å; S180-P283 WeakPolarHBondContact O-CG 3.38Å; A235-P283 HydrophobicContact CB-CG 3.88Å; V274-P283 HydrophobicContact CG2-CB 3.73Å
284	I	93.6	Very high	91.3	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-46.7	166.1	-63.4	169.9	0	0	0	108.9	S180 C198 V199 Y222 C275 H277	S180-I284 VanDerWaalsContact CB-O 3.28Å; S180-I284 WeakPolarHBondContact CB-O 3.44Å; C198-I284 VanDerWaalsContact SG-CD1 3.53Å; V199-I284 HydrophobicContact CG2-CG2 4.42Å; Y222-I284 HydrophobicContact CD1-CD1 3.63Å; Y222-I284 HydrophobicContact CE1-CD1 3.61Å; C275-I284 PolarHBondContact O-N 3.1Å; H277-I284 HydrophobicContact CB-CD1 3.59Å; H277-I284 HydrophobicContact CB-CG1 4.14Å
285	R	94.9	Very high	90.6	Very high	55 Å²	55	52.4 Å²	52.4	21%	0.208	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	139.5	-175.5	-151.8	162.3	-177.9	169.3	10.1	110.1	D184 R197 D200 C275 F287	D184-R285 IonicContact OD2-CZ 3.48Å; D184-R285 IonicContact OD2-NE 3.75Å; D184-R285 PolarHBondContact OD2-NE 3.1Å; D184-R285 IonicContact OD2-NH2 2.9Å; D184-R285 PolarHBondContact OD2-NH2 3.4Å; R197-R285 WeakPolarHBondContact O-CD 3.45Å; R197-R285 PolarHBondContact O-NH1 3.43Å; D200-R285 IonicContact OD1-CZ 2.65Å; D200-R285 IonicContact OD1-NH1 3.51Å; D200-R285 PolarHBondContact OD1-NH1 2.85Å; D200-R285 IonicContact OD1-NH2 2.65Å; D200-R285 IonicContact OD2-NH1 3.82Å; D200-R285 PolarHBondContact OD2-NH1 2.77Å; D200-R285 IonicContact OD2-NH2 2.77Å; C275-R285 PolarHBondContact N-O 3.25Å; C275-R285 PolarHBondContact O-N 2.85Å; R285-F287 HydrophobicContact CB-CE2 4.08Å; R285-F287 HydrophobicContact CB-CZ 4.28Å; R285-F287 VanDerWaalsContact CD-CZ 3.5Å; R285-F287 HydrophobicContact CG-CE1 4.23Å; R285-F287 HydrophobicContact CG-CE2 3.89Å; R285-F287 HydrophobicContact CG-CZ 3.64Å
286	T	96.4	Very high	90.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.2	176.5	-56.9	0	0	0	0	108.9	I183 D184 A235 I273	I183-T286 CarbonylContact C-O 3.49Å; I183-T286 WeakPolarHBondContact CA-O 3.5Å; I183-T286 HydrophobicContact CG1-CG2 4.26Å; I183-T286 HydrophobicContact CG2-CG2 4.23Å; D184-T286 PolarHBondContact N-O 3.42Å; A235-T286 WeakPolarHBondContact CB-OG1 3.42Å; I273-T286 CarbonylContact O-C 3.49Å; I273-T286 VanDerWaalsContact O-CA 3.3Å; I273-T286 WeakPolarHBondContact O-CA 3.46Å
287	F	97.5	Very high	90.1	Very high	11 Å²	11	55.2 Å²	55.2	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.5	-176.3	-60	-84.8	0	0	0	110.3	D184 V186 L196 R197 W224 A272 I273 R285	D184-F287 HydrophobicContact CB-CD1 3.81Å; D184-F287 HydrophobicContact CB-CE1 4.03Å; D184-F287 WeakPolarHBondContact O-CA 2.99Å; V186-F287 HydrophobicContact CG2-CB 3.87Å; V186-F287 HydrophobicContact CG2-CD1 3.79Å; V186-F287 HydrophobicContact CG2-CG 4.28Å; L196-F287 HydrophobicContact CB-CE2 4.34Å; L196-F287 HydrophobicContact CB-CZ 4.45Å; L196-F287 HydrophobicContact CD1-CD2 4.33Å; L196-F287 HydrophobicContact CD1-CG 4.47Å; L196-F287 HydrophobicContact CD2-CB 4.39Å; L196-F287 HydrophobicContact CD2-CD1 3.64Å; L196-F287 HydrophobicContact CD2-CD2 4.14Å; L196-F287 HydrophobicContact CD2-CE1 3.82Å; L196-F287 HydrophobicContact CD2-CE2 4.31Å; L196-F287 HydrophobicContact CD2-CG 3.79Å; L196-F287 HydrophobicContact CD2-CZ 4.13Å; R197-F287 WeakPolarHBondContact O-CZ 3.39Å; W224-F287 AromaticContact CH2-CE2 3.71Å; W224-F287 HydrophobicContact CH2-CE2 3.71Å; W224-F287 HydrophobicContact CH2-CZ 4.42Å; W224-F287 HydrophobicContact CZ3-CD2 4.02Å; W224-F287 AromaticContact CZ3-CE2 3.64Å; W224-F287 HydrophobicContact CZ3-CE2 3.64Å; A272-F287 CarbonylContact C-O 3.49Å; A272-F287 VanDerWaalsContact CA-O 3.25Å; A272-F287 WeakPolarHBondContact CA-O 3.25Å; A272-F287 WeakPolarHBondContact CB-O 3.31Å; I273-F287 HydrophobicContact CB-CB 4.43Å; I273-F287 PolarHBondContact N-O 3.37Å; I273-F287 PolarHBondContact O-N 2.99Å; R285-F287 HydrophobicContact CB-CE2 4.08Å; R285-F287 HydrophobicContact CB-CZ 4.28Å; R285-F287 VanDerWaalsContact CD-CZ 3.5Å; R285-F287 HydrophobicContact CG-CE1 4.23Å; R285-F287 HydrophobicContact CG-CE2 3.89Å; R285-F287 HydrophobicContact CG-CZ 3.64Å
288	A	97.4	Very high	90.4	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163.4	178.3	0	0	0	0	0	111.3	I183 D184 V185 V186 A272 V291 V299	I183-A288 HydrophobicContact CG2-CB 3.75Å; D184-A288 PolarHBondContact O-N 2.88Å; V185-A288 CarbonylContact C-O 3.59Å; V185-A288 VanDerWaalsContact CA-O 3.3Å; V185-A288 WeakPolarHBondContact CA-O 3.48Å; V186-A288 PolarHBondContact N-O 2.75Å; A272-A288 HydrophobicContact CB-CB 4.09Å; A288-V291 HydrophobicContact CB-CG1 4.26Å; A288-V299 HydrophobicContact CB-CB 4.41Å; A288-V299 HydrophobicContact CB-CG1 3.78Å; A288-V299 HydrophobicContact CB-CG2 3.81Å
289	G	96.3	Very high	91	Very high	17 Å²	17	52.5 Å²	52.5	18%	0.175	31%	0.308	C	S	.	.	S	Bend	trans	-79.4	-28.5	179.8	0	0	0	0	0	113.7	V185 E301 G302	V185-G289 WeakPolarHBondContact CG1-O 3.31Å; G289-E301 PolarHBondContact N-O 3.11Å; G289-E301 VanDerWaalsContact N-O 3.12Å; G289-G302 VanDerWaalsContact CA-O 3.25Å; G289-G302 WeakPolarHBondContact CA-O 3.28Å; G289-G302 PolarHBondContact N-O 2.79Å
290	K	95.6	Very high	91.8	Very high	97 Å²	97	52.9 Å²	52.9	42%	0.422	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	142.8	178.6	-163.8	179.4	-179.5	174.7	0	112.3	L300 E301	K290-L300 HydrophobicContact CB-CB 4.32Å; K290-L300 HydrophobicContact CD-CB 4.41Å; K290-L300 HydrophobicContact CG-CB 4.3Å; K290-L300 HydrophobicContact CG-CD1 4.38Å; K290-L300 PolarHBondContact O-N 3.49Å; K290-E301 HydrophobicContact CB-CB 3.8Å; K290-E301 HydrophobicContact CB-CG 4.22Å; K290-E301 VanDerWaalsContact CD-CD 3.44Å; K290-E301 HydrophobicContact CD-CG 4.11Å; K290-E301 WeakPolarHBondContact CD-OE1 3.28Å; K290-E301 PolarHBondContact N-O 3Å; K290-E301 IonicContact NZ-OE1 2.83Å; K290-E301 PolarHBondContact NZ-OE1 2.88Å; K290-E301 PolarHBondContact O-N 3.2Å
291	V	95.8	Very high	92.4	Very high	28 Å²	28	54.9 Å²	54.9	17%	0.17	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	162.6	-176.5	-57.1	0	0	0	0	112.1	I183 V185 A288 P297 V298	I183-V291 HydrophobicContact CB-CG1 3.85Å; I183-V291 HydrophobicContact CD1-CG1 4.19Å; I183-V291 HydrophobicContact CG2-CG1 3.48Å; I183-V291 VanDerWaalsContact CG2-CG1 3.48Å; V185-V291 HydrophobicContact CG2-CG1 4.34Å; V185-V291 HydrophobicContact CG2-CG2 3.67Å; A288-V291 HydrophobicContact CB-CG1 4.26Å; V291-P297 HydrophobicContact CB-CB 4.24Å; V291-P297 HydrophobicContact CG2-CB 4.35Å; V291-V298 CarbonylContact C-O 3.51Å; V291-V298 WeakPolarHBondContact CA-O 3.17Å
292	T	93.7	Very high	92.9	Very high	38 Å²	38	47.6 Å²	47.6	23%	0.233	27%	0.268	C	S	.	.			trans	-70.6	140.8	169.9	56.6	0	0	0	0	111.3	T294 V298 L300	T292-T294 PolarHBondContact O-N 3.12Å; T292-T294 PolarHBondContact OG1-OG1 3.28Å; T292-V298 HydrophobicContact CG2-CB 4.22Å; T292-V298 PolarHBondContact N-O 3.08Å; T292-V298 PolarHBondContact OG1-N 3.12Å; T292-L300 HydrophobicContact CG2-CD1 4.11Å; T292-L300 HydrophobicContact CG2-CD2 3.74Å; T292-L300 HydrophobicContact CG2-CG 3.95Å
293	S	87.2	Confident	93.2	Very high	134 Å²	134	47.3 Å²	47.3	94%	0.937	26%	0.264	S	S	*	.	S	Bend	trans	-80.3	60	174.5	-52	0	0	0	0	111.5
294	T	87.3	Confident	93.3	Very high	82 Å²	82	49.4 Å²	49.4	50%	0.503	28%	0.278	S	S	.	.	S	Bend	trans	-125.1	160	-177.7	49.4	0	0	0	0	110.8	T292 S296	T292-T294 PolarHBondContact O-N 3.12Å; T292-T294 PolarHBondContact OG1-OG1 3.28Å; T294-S296 PolarHBondContact O-N 3.09Å; T294-S296 PolarHBondContact OG1-O 3.49Å
295	E	81.5	Confident	93.3	Very high	204 Å²	204	50.6 Å²	50.6	95%	0.953	28%	0.284	S	S	*	.	S	Bend	trans	-59.5	-31.9	176.5	-68.8	-175	169.8	0	0	113	P297	E295-P297 WeakPolarHBondContact O-CD 3.4Å
296	S	85.7	Confident	93	Very high	83 Å²	83	49.5 Å²	49.5	58%	0.58	28%	0.283	S	S	*	.	S	Bend	trans	-108.8	90	167.6	-66.5	0	0	0	0	108.7	T294	T294-S296 PolarHBondContact O-N 3.09Å; T294-S296 PolarHBondContact OG1-O 3.49Å
297	P	91.9	Very high	92.5	Very high	18 Å²	18	57.6 Å²	57.6	12%	0.117	32%	0.318	C	S	.	.			trans	-68.6	141.3	-175.9	27.3	-34	0	0	0	111	I183 N234 V291 E295	I183-P297 HydrophobicContact CB-CG 4.42Å; I183-P297 HydrophobicContact CD1-CB 4.21Å; I183-P297 HydrophobicContact CD1-CG 4.2Å; I183-P297 WeakPolarHBondContact CD1-O 3.39Å; I183-P297 HydrophobicContact CG1-CG 4.14Å; N234-P297 VanDerWaalsContact CB-O 3.31Å; N234-P297 WeakPolarHBondContact CB-O 3.48Å; V291-P297 HydrophobicContact CB-CB 4.24Å; V291-P297 HydrophobicContact CG2-CB 4.35Å; E295-P297 WeakPolarHBondContact O-CD 3.4Å
298	V	94.6	Very high	91.7	Very high	40 Å²	40	63.1 Å²	63.1	24%	0.242	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-118.2	139.9	176.4	177.5	0	0	0	0	108.9	K232 N234 V291 T292 L300	K232-V298 HydrophobicContact CB-CG1 3.64Å; K232-V298 WeakPolarHBondContact O-CG1 3.34Å; N234-V298 HydrophobicContact CB-CG2 4.33Å; V291-V298 CarbonylContact C-O 3.51Å; V291-V298 WeakPolarHBondContact CA-O 3.17Å; T292-V298 HydrophobicContact CG2-CB 4.22Å; T292-V298 PolarHBondContact N-O 3.08Å; T292-V298 PolarHBondContact OG1-N 3.12Å; V298-L300 PolarHBondContact O-N 3.22Å
299	V	95.1	Very high	90.5	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.5	178.4	-178	0	0	0	0	110.3	I183 T229 K232 P233 A272 A288 E301	I183-V299 HydrophobicContact CD1-CG2 3.82Å; T229-V299 HydrophobicContact CG2-CG1 3.52Å; K232-V299 WeakPolarHBondContact CA-O 3.41Å; P233-V299 HydrophobicContact CG-CB 4.34Å; P233-V299 HydrophobicContact CG-CG2 4.45Å; P233-V299 WeakPolarHBondContact O-CB 3.41Å; P233-V299 VanDerWaalsContact O-CG2 3.3Å; P233-V299 WeakPolarHBondContact O-CG2 3.35Å; P233-V299 PolarHBondContact O-N 2.89Å; A272-V299 HydrophobicContact CB-CG2 4.18Å; A288-V299 HydrophobicContact CB-CB 4.41Å; A288-V299 HydrophobicContact CB-CG1 3.78Å; A288-V299 HydrophobicContact CB-CG2 3.81Å; V299-E301 WeakPolarHBondContact CG1-O 3.44Å
300	L	93.7	Very high	89.1	Confident	65 Å²	65	74.5 Å²	74.5	34%	0.34	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-42.2	173.4	-65.1	179	0	0	0	111.2	K290 T292 V298	K290-L300 HydrophobicContact CB-CB 4.32Å; K290-L300 HydrophobicContact CD-CB 4.41Å; K290-L300 HydrophobicContact CG-CB 4.3Å; K290-L300 HydrophobicContact CG-CD1 4.38Å; K290-L300 PolarHBondContact O-N 3.49Å; T292-L300 HydrophobicContact CG2-CD1 4.11Å; T292-L300 HydrophobicContact CG2-CD2 3.74Å; T292-L300 HydrophobicContact CG2-CG 3.95Å; V298-L300 PolarHBondContact O-N 3.22Å
301	E	94.1	Very high	87.7	Confident	97 Å²	97	71.5 Å²	71.5	45%	0.453	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.7	-178.8	-60.8	166.8	-150.8	0	0	109.1	G289 K290 V299	G289-E301 PolarHBondContact N-O 3.11Å; G289-E301 VanDerWaalsContact N-O 3.12Å; K290-E301 HydrophobicContact CB-CB 3.8Å; K290-E301 HydrophobicContact CB-CG 4.22Å; K290-E301 VanDerWaalsContact CD-CD 3.44Å; K290-E301 HydrophobicContact CD-CG 4.11Å; K290-E301 WeakPolarHBondContact CD-OE1 3.28Å; K290-E301 PolarHBondContact N-O 3Å; K290-E301 IonicContact NZ-OE1 2.83Å; K290-E301 PolarHBondContact NZ-OE1 2.88Å; K290-E301 PolarHBondContact O-N 3.2Å; V299-E301 WeakPolarHBondContact CG1-O 3.44Å
302	G	95.6	Very high	86.3	Confident	4 Å²	4	74.7 Å²	74.7	4%	0.041	42%	0.418	C	S	.	.			trans	-74.5	-176.4	176.2	0	0	0	0	0	112.6	S270 I271 G289	S270-G302 WeakPolarHBondContact OG-CA 3.41Å; S270-G302 PolarHBondContact OG-N 2.81Å; I271-G302 CarbonylContact O-C 3.44Å; I271-G302 WeakPolarHBondContact O-CA 3.49Å; G289-G302 VanDerWaalsContact CA-O 3.25Å; G289-G302 WeakPolarHBondContact CA-O 3.28Å; G289-G302 PolarHBondContact N-O 2.79Å
303	L	96.6	Very high	85.3	Confident	6 Å²	6	73.9 Å²	73.9	3%	0.031	41%	0.414	C	S	.	.			trans	-56.1	147.9	169.5	-60.1	179	0	0	0	110	V186 V266 I271 I273	V186-L303 HydrophobicContact CB-CD2 3.57Å; V186-L303 HydrophobicContact CG1-CD2 3.92Å; V186-L303 HydrophobicContact CG2-CD2 3.95Å; V266-L303 VanDerWaalsContact CG1-C 3.45Å; V266-L303 HydrophobicContact CG1-CB 3.81Å; V266-L303 VanDerWaalsContact CG1-O 3.31Å; V266-L303 WeakPolarHBondContact CG1-O 3.37Å; I271-L303 PolarHBondContact O-N 3.02Å; I273-L303 HydrophobicContact CD1-CD1 3.45Å; I273-L303 VanDerWaalsContact CD1-CD1 3.45Å; I273-L303 HydrophobicContact CG1-CD1 3.69Å
304	S	95.2	Very high	85.1	Confident	48 Å²	48	73.7 Å²	73.7	34%	0.336	41%	0.408	S	S	.	.			trans	-140.5	164.3	179.8	59.1	0	0	0	0	110.5	P188 I189	P188-S304 CarbonylContact C-O 3.57Å; P188-S304 WeakPolarHBondContact CA-O 3.26Å; I189-S304 PolarHBondContact N-O 2.89Å
305	I	92.6	Very high	85.2	Confident	35 Å²	35	75 Å²	75	18%	0.179	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-106.3	134.5	178.4	-59.1	-167.2	0	0	0	109.4	I189 F192 A263 V266 E267 K307	I189-I305 CarbonylContact O-C 3.49Å; I189-I305 WeakPolarHBondContact O-CA 3.13Å; I189-I305 WeakPolarHBondContact O-CG2 3.3Å; F192-I305 HydrophobicContact CE2-CD1 3.7Å; F192-I305 HydrophobicContact CE2-CG1 4.1Å; F192-I305 HydrophobicContact CZ-CD1 3.83Å; F192-I305 HydrophobicContact CZ-CG1 4.15Å; A263-I305 HydrophobicContact CB-CD1 3.71Å; V266-I305 HydrophobicContact CB-CD1 4.46Å; V266-I305 HydrophobicContact CB-CG1 4.28Å; V266-I305 HydrophobicContact CG1-CG1 4.03Å; E267-I305 HydrophobicContact CG-CD1 3.4Å; E267-I305 HydrophobicContact CG-CG1 4.07Å; I305-K307 PolarHBondContact O-N 2.91Å; I305-K307 VanDerWaalsContact O-N 3.11Å
306	D	90.4	Very high	85.7	Confident	32 Å²	32	66 Å²	66	17%	0.171	36%	0.364	C	S	.	.			trans	-73.8	96.1	170.9	-170.6	-11.6	0	0	0	109.8	P188 I189 T308 K309	P188-D306 HydrophobicContact CB-CB 3.86Å; I189-D306 PolarHBondContact O-N 3.38Å; D306-T308 PolarHBondContact O-N 2.88Å; D306-T308 WeakPolarHBondContact OD1-CA 3.45Å; D306-T308 WeakPolarHBondContact OD1-CB 3.46Å; D306-T308 PolarHBondContact OD1-N 3.13Å; D306-T308 PolarHBondContact OD1-OG1 2.87Å; D306-K309 PolarHBondContact OD1-N 2.81Å; D306-K309 WeakPolarHBondContact OD2-CD 3.36Å; D306-K309 WeakPolarHBondContact OD2-CG 3.44Å
307	K	84.2	Confident	86	Confident	171 Å²	171	68.4 Å²	68.4	74%	0.743	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-6.8	177.5	-61.1	-173.1	178.2	-173.4	0	113.7	I305	I305-K307 PolarHBondContact O-N 2.91Å; I305-K307 VanDerWaalsContact O-N 3.11Å
308	T	80.6	Confident	86.2	Confident	126 Å²	126	69.3 Å²	69.3	77%	0.773	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-22.8	-177.1	69.5	0	0	0	0	113	D306	D306-T308 PolarHBondContact O-N 2.88Å; D306-T308 WeakPolarHBondContact OD1-CA 3.45Å; D306-T308 WeakPolarHBondContact OD1-CB 3.46Å; D306-T308 PolarHBondContact OD1-N 3.13Å; D306-T308 PolarHBondContact OD1-OG1 2.87Å
309	K	73	Confident	86.1	Confident	126 Å²	126	69.5 Å²	69.5	55%	0.548	37%	0.367	S	S	.	.			trans	-95.7	112.9	173	-75.2	-176.7	-178.6	176.3	0	110.1	D306	D306-K309 PolarHBondContact OD1-N 2.81Å; D306-K309 WeakPolarHBondContact OD2-CD 3.36Å; D306-K309 WeakPolarHBondContact OD2-CG 3.44Å
310	N	66.8	Low	86	Confident	131 Å²	131	71 Å²	71	70%	0.701	38%	0.376	S	S	*	.			trans	-65.7	152.7	160.3	-72.1	-13.1	0	0	0	109.4	S312	N310-S312 PolarHBondContact O-N 2.84Å; N310-S312 VanDerWaalsContact O-N 3.15Å
311	S	66.4	Low	85.9	Confident	33 Å²	33	72.3 Å²	72.3	23%	0.231	39%	0.387	C	S	.	.			trans	-38.8	122.1	170.9	159.2	0	0	0	0	110.1	S313	S311-S313 PolarHBondContact O-N 2.92Å; S311-S313 PolarHBondContact OG-N 3.41Å; S311-S313 PolarHBondContact OG-O 2.69Å
312	S	67	Low	86	Confident	96 Å²	96	71.1 Å²	71.1	67%	0.671	38%	0.384	S	S	*	.			trans	-75	-15.1	176.2	72.7	0	0	0	0	112	E191 N310 T314	E191-S312 WeakPolarHBondContact OE1-CA 3.3Å; E191-S312 VanDerWaalsContact OE1-CB 3.3Å; E191-S312 WeakPolarHBondContact OE1-CB 3.26Å; E191-S312 PolarHBondContact OE1-N 3.43Å; E191-S312 PolarHBondContact OE1-OG 2.96Å; N310-S312 PolarHBondContact O-N 2.84Å; N310-S312 VanDerWaalsContact O-N 3.15Å; S312-T314 PolarHBondContact O-N 3.04Å
313	S	72.8	Confident	86	Confident	20 Å²	20	75.3 Å²	75.3	14%	0.14	41%	0.412	C	S	.	.			trans	-72.1	113.6	178.6	-58.6	0	0	0	0	110.3	E191 S311 P346	E191-S313 PolarHBondContact OE1-N 3.48Å; S311-S313 PolarHBondContact O-N 2.92Å; S311-S313 PolarHBondContact OG-N 3.41Å; S311-S313 PolarHBondContact OG-O 2.69Å; S313-P346 WeakPolarHBondContact O-CB 3.12Å
314	T	82.8	Confident	85.8	Confident	131 Å²	131	76.4 Å²	76.4	80%	0.804	42%	0.42	S	S	*	.	S	Bend	trans	-85.4	-15	175	56.4	0	0	0	0	113.3	S312	S312-T314 PolarHBondContact O-N 3.04Å
315	K	88.4	Confident	85.6	Confident	110 Å²	110	77.7 Å²	77.7	48%	0.478	43%	0.429	S	S	.	.	S	Bend	trans	-143.2	164.3	178.7	-69.7	-163.5	172.7	-155.8	0	109.6	Y317 P346	K315-Y317 PolarHBondContact O-N 2.91Å; K315-P346 VanDerWaalsContact C-CG 3.48Å
316	L	92.5	Very high	85.5	Confident	13 Å²	13	78.1 Å²	78.1	7%	0.068	43%	0.429	C	S	.	.			trans	-56.7	132.4	169.7	-70.4	167.5	0	0	0	110.3	Y343 R344 Q345 Y350 V389 D397 L399	L316-Y343 HydrophobicContact CD2-CD2 3.96Å; L316-Y343 HydrophobicContact CD2-CE2 4.2Å; L316-R344 WeakPolarHBondContact CA-O 3.43Å; L316-Q345 HydrophobicContact CD2-CB 3.88Å; L316-Y350 HydrophobicContact CD1-CD1 3.95Å; L316-Y350 HydrophobicContact CD1-CE1 3.73Å; L316-Y350 HydrophobicContact CD2-CD1 3.83Å; L316-Y350 HydrophobicContact CD2-CE1 3.74Å; L316-Y350 HydrophobicContact CG-CD1 4.03Å; L316-Y350 HydrophobicContact CG-CE1 3.54Å; L316-V389 HydrophobicContact CD1-CB 4.31Å; L316-V389 HydrophobicContact CD1-CG1 3.95Å; L316-V389 HydrophobicContact CD2-CG1 3.83Å; L316-D397 WeakPolarHBondContact CB-OD1 3.22Å; L316-D397 WeakPolarHBondContact CD1-O 3.32Å; L316-D397 PolarHBondContact N-OD1 2.55Å; L316-D397 PolarHBondContact N-OD2 2.82Å; L316-L399 HydrophobicContact CB-CD1 3.7Å; L316-L399 HydrophobicContact CB-CD2 4.47Å; L316-L399 HydrophobicContact CB-CG 3.68Å; L316-L399 HydrophobicContact CD1-CG 4.31Å
317	Y	92.9	Very high	85.5	Confident	134 Å²	134	78 Å²	78	53%	0.525	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	120.3	-178.4	179.7	-98.1	0	0	0	111.1	K315 L319 Y343 R344	K315-Y317 PolarHBondContact O-N 2.91Å; Y317-L319 HydrophobicContact CD1-CD2 3.96Å; Y317-L319 HydrophobicContact CE1-CD2 3.89Å; Y317-Y343 CarbonylContact O-C 3.5Å; Y317-Y343 WeakPolarHBondContact O-CA 3.29Å; Y317-Y343 WeakPolarHBondContact O-CB 2.94Å; Y317-R344 PolarHBondContact N-O 2.82Å; Y317-R344 PolarHBondContact O-N 3.21Å
318	P	94.9	Very high	85.8	Confident	37 Å²	37	70.1 Å²	70.1	24%	0.24	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.3	-179.9	30.8	-33.2	0	0	0	111.6	L322 L399 F401	P318-L322 HydrophobicContact CB-CD2 3.85Å; P318-L322 HydrophobicContact CB-CG 4.33Å; P318-L322 HydrophobicContact CG-CD2 4.24Å; P318-L322 HydrophobicContact CG-CG 4.39Å; P318-L399 HydrophobicContact CB-CD1 4.22Å; P318-L399 HydrophobicContact CG-CD2 4.32Å; P318-F401 HydrophobicContact CB-CE1 4.09Å; P318-F401 HydrophobicContact CB-CZ 3.88Å
319	L	93.5	Very high	86.2	Confident	44 Å²	44	64.7 Å²	64.7	23%	0.23	36%	0.361	C	S	.	.	S	Bend	trans	-101.1	-22.8	172.8	-60.9	176.1	0	0	0	112.2	P193 Y259 Y317 L342 R344	P193-L319 HydrophobicContact CB-CD1 4.44Å; P193-L319 HydrophobicContact CG-CD1 4.39Å; Y259-L319 HydrophobicContact CE1-CD1 4.38Å; Y317-L319 HydrophobicContact CD1-CD2 3.96Å; Y317-L319 HydrophobicContact CE1-CD2 3.89Å; L319-L342 WeakPolarHBondContact CA-O 3.14Å; L319-L342 HydrophobicContact CB-CB 3.81Å; L319-L342 WeakPolarHBondContact CB-O 3.45Å; L319-L342 HydrophobicContact CD1-CB 4.32Å; L319-L342 PolarHBondContact N-O 3.21Å; L319-R344 HydrophobicContact CD1-CG 3.99Å; L319-R344 HydrophobicContact CD2-CG 4.2Å; L319-R344 HydrophobicContact CG-CG 4.22Å
320	T	91.6	Very high	87	Confident	32 Å²	32	62.4 Å²	62.4	20%	0.196	35%	0.351	C	S	.	.	S	Bend	trans	-108.9	166.8	169.9	50.5	0	0	0	0	110.9	F253 L342 F401	F253-T320 HydrophobicContact CZ-CG2 4.48Å; T320-L342 HydrophobicContact CG2-CB 3.92Å; T320-L342 HydrophobicContact CG2-CD1 4.03Å; T320-L342 HydrophobicContact CG2-CG 4.16Å; T320-L342 PolarHBondContact N-O 3.21Å; T320-L342 PolarHBondContact OG1-N 2.93Å; T320-L342 PolarHBondContact OG1-O 2.67Å; T320-F401 WeakPolarHBondContact OG1-CE1 3.38Å
321	T	91.8	Very high	87.9	Confident	92 Å²	92	57.6 Å²	57.6	56%	0.564	33%	0.333	S	S	*	.			trans	-60.8	141	175.4	51.3	0	0	0	0	111	S323 S324 F401	T321-S323 VanDerWaalsContact C-N 3.26Å; T321-S323 PolarHBondContact O-N 3.29Å; T321-S324 PolarHBondContact OG1-OG 3.07Å; T321-S324 VanDerWaalsContact OG1-OG 3.12Å; T321-F401 WeakPolarHBondContact O-CD1 3.37Å
322	L	96.6	Very high	88.7	Confident	73 Å²	73	56.5 Å²	56.5	38%	0.382	33%	0.325	S	S	.	.	S	Bend	trans	-75	-16.8	177.7	-67.2	176	0	0	0	113	P318 L399 F401 T402	P318-L322 HydrophobicContact CB-CD2 3.85Å; P318-L322 HydrophobicContact CB-CG 4.33Å; P318-L322 HydrophobicContact CG-CD2 4.24Å; P318-L322 HydrophobicContact CG-CG 4.39Å; L322-L399 HydrophobicContact CD2-CD2 4.33Å; L322-F401 HydrophobicContact CD2-CD1 3.95Å; L322-F401 HydrophobicContact CD2-CD2 4.44Å; L322-F401 HydrophobicContact CD2-CE1 3.79Å; L322-F401 HydrophobicContact CD2-CE2 4.31Å; L322-F401 HydrophobicContact CD2-CG 4.26Å; L322-F401 HydrophobicContact CD2-CZ 3.97Å; L322-F401 CarbonylContact O-C 3.57Å; L322-F401 WeakPolarHBondContact O-CA 3.36Å; L322-T402 PolarHBondContact O-N 2.03Å
323	S	95.8	Very high	89.4	Confident	91 Å²	91	58 Å²	58	64%	0.636	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	133.2	178.4	-170.2	0	0	0	0	109.8	T321 T402	T321-S323 VanDerWaalsContact C-N 3.26Å; T321-S323 PolarHBondContact O-N 3.29Å; S323-T402 CarbonylContact C-O 3.54Å; S323-T402 VanDerWaalsContact CA-O 3.3Å; S323-T402 WeakPolarHBondContact CA-O 3.3Å
324	S	92	Very high	89.6	Confident	29 Å²	29	57.4 Å²	57.4	20%	0.203	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.9	176.2	-65.2	0	0	0	0	109.8	T321 T402 Y403 D404	T321-S324 PolarHBondContact OG1-OG 3.07Å; T321-S324 VanDerWaalsContact OG1-OG 3.12Å; S324-T402 PolarHBondContact N-O 3.21Å; S324-Y403 WeakPolarHBondContact O-CA 3.43Å; S324-D404 PolarHBondContact O-N 2.62Å
325	S	91.7	Very high	89.1	Confident	76 Å²	76	55.8 Å²	55.8	53%	0.531	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.6	175.7	-179.5	0	0	0	0	109.8	D404	S325-D404 CarbonylContact C-O 2.95Å; S325-D404 VanDerWaalsContact CA-O 3.29Å; S325-D404 WeakPolarHBondContact CA-O 3.39Å; S325-D404 PolarHBondContact OG-O 3.41Å
326	Y	91	Very high	88.4	Confident	44 Å²	44	55 Å²	55	17%	0.173	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.4	179.7	-63.4	-78.9	0	0	0	109.5	F337 L339 Y403 D404 V405 K406	Y326-F337 AromaticContact CD1-CZ 3.92Å; Y326-F337 HydrophobicContact CD1-CZ 3.92Å; Y326-F337 AromaticContact CE1-CZ 3.87Å; Y326-F337 HydrophobicContact CE1-CZ 3.87Å; Y326-F337 HydrophobicContact CG-CZ 4.5Å; Y326-L339 HydrophobicContact CD2-CD2 3.84Å; Y326-L339 HydrophobicContact CE2-CD2 3.56Å; Y326-Y403 AromaticContact CE2-CD1 3.82Å; Y326-Y403 HydrophobicContact CE2-CD1 3.82Å; Y326-D404 PolarHBondContact N-O 2.85Å; Y326-V405 HydrophobicContact CD2-CG2 4.34Å; Y326-K406 PolarHBondContact O-N 3.31Å
327	V	90	Very high	88	Confident	30 Å²	30	55 Å²	55	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.5	173.4	177.9	0	0	0	0	107.7	Q214 K406 V408 Y516	Q214-V327 PolarHBondContact NE2-O 2.93Å; Q214-V327 PolarHBondContact OE1-O 3.32Å; Q214-V327 VanDerWaalsContact OE1-O 3.12Å; V327-K406 CarbonylContact C-O 3.59Å; V327-K406 WeakPolarHBondContact CA-O 3.09Å; V327-K406 HydrophobicContact CG2-CB 4.45Å; V327-V408 HydrophobicContact CG1-CB 4.28Å; V327-V408 HydrophobicContact CG1-CG1 3.79Å; V327-V408 HydrophobicContact CG1-CG2 3.45Å; V327-V408 VanDerWaalsContact CG1-CG2 3.45Å; V327-Y516 HydrophobicContact CG1-CD1 4.31Å; V327-Y516 HydrophobicContact CG1-CE1 3.82Å
328	I	90.1	Very high	87.8	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135	-174.4	-52.6	177.4	0	0	0	109.2	T332 L334 L373 I377 V405 K406 V407 V408	I328-T332 HydrophobicContact CG2-CG2 4.47Å; I328-L334 HydrophobicContact CD1-CD1 4.13Å; I328-L373 HydrophobicContact CD1-CD1 3.94Å; I328-I377 HydrophobicContact CG2-CB 4.44Å; I328-I377 HydrophobicContact CG2-CG1 4.08Å; I328-I377 HydrophobicContact CG2-CG2 4.06Å; I328-V405 HydrophobicContact CD1-CG1 4.1Å; I328-K406 PolarHBondContact N-O 3.17Å; I328-V407 CarbonylContact O-C 3.6Å; I328-V407 VanDerWaalsContact O-CA 3.31Å; I328-V407 WeakPolarHBondContact O-CA 3.43Å; I328-V408 PolarHBondContact O-N 2.94Å
329	N	88.8	Confident	87.6	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.064	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.5	177.4	-67.4	-32.2	0	0	0	110.9	L34 I55 G331 T332 V408	L34-N329 HydrophobicContact CD1-CB 3.91Å; L34-N329 HydrophobicContact CD2-CB 4.08Å; I55-N329 WeakPolarHBondContact CD1-ND2 3.22Å; N329-G331 PolarHBondContact O-N 3.06Å; N329-T332 VanDerWaalsContact O-CB 3.25Å; N329-T332 WeakPolarHBondContact O-CB 3.47Å; N329-T332 PolarHBondContact O-N 3.01Å; N329-T332 VanDerWaalsContact O-N 3.13Å; N329-T332 PolarHBondContact O-OG1 3.01Å; N329-V408 CarbonylContact C-O 3.57Å; N329-V408 VanDerWaalsContact CA-O 3.31Å; N329-V408 WeakPolarHBondContact CA-O 3.3Å
330	K	89.2	Confident	87.5	Confident	78 Å²	78	49.6 Å²	49.6	34%	0.339	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	137.1	170.5	-173.6	178.6	178.4	176.3	0	110.1	L34 T332 E379 V407 V408	L34-K330 WeakPolarHBondContact CD1-O 3.24Å; K330-T332 VanDerWaalsContact C-N 3.3Å; K330-E379 HydrophobicContact CD-CG 4.16Å; K330-E379 IonicContact NZ-OE1 3.6Å; K330-E379 PolarHBondContact NZ-OE1 2.98Å; K330-V407 HydrophobicContact CB-CG1 3.91Å; K330-V407 HydrophobicContact CG-CG1 4.46Å; K330-V408 PolarHBondContact N-O 2.87Å
331	G	85.6	Confident	87.6	Confident	31 Å²	31	48.1 Å²	48.1	32%	0.32	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-2.7	-176.3	0	0	0	0	0	114.6	N329 K333 I377	N329-G331 PolarHBondContact O-N 3.06Å; G331-K333 PolarHBondContact O-N 3.49Å; G331-I377 PolarHBondContact N-O 3.39Å
332	T	84.8	Confident	87.7	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.055	24%	0.236	C	C	.	.			trans	-59.7	129.5	175.4	-59.1	0	0	0	0	110	L34 F36 I328 N329 K330 L334 I377	L34-T332 WeakPolarHBondContact CD1-OG1 3.33Å; F36-T332 HydrophobicContact CZ-CG2 4.27Å; I328-T332 HydrophobicContact CG2-CG2 4.47Å; N329-T332 VanDerWaalsContact O-CB 3.25Å; N329-T332 WeakPolarHBondContact O-CB 3.47Å; N329-T332 PolarHBondContact O-N 3.01Å; N329-T332 VanDerWaalsContact O-N 3.13Å; N329-T332 PolarHBondContact O-OG1 3.01Å; K330-T332 VanDerWaalsContact C-N 3.3Å; T332-L334 HydrophobicContact CG2-CD2 3.53Å; T332-L334 HydrophobicContact CG2-CG 4.07Å; T332-L334 PolarHBondContact O-N 3.04Å; T332-I377 WeakPolarHBondContact O-CG1 3.43Å; T332-I377 PolarHBondContact O-N 3.1Å
333	K	81.5	Confident	87.6	Confident	129 Å²	129	40.3 Å²	40.3	56%	0.561	22%	0.218	S	C	*	.	B	Isolated β-bridge	trans	-87.3	90.8	169.9	-69.2	174.1	-175.4	160.9	0	108.6	E32 G331 S375 L376	E32-K333 IonicContact OE1-NZ 3.32Å; G331-K333 PolarHBondContact O-N 3.49Å; K333-S375 CarbonylContact C-O 3.49Å; K333-S375 VanDerWaalsContact CA-O 3.24Å; K333-S375 WeakPolarHBondContact CA-O 3.38Å; K333-L376 HydrophobicContact CG-CD1 4.23Å
334	L	76.7	Confident	87.4	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	20%	0.202	C	C	.	.			trans	-76.8	132.3	168.9	-59.2	-176.7	0	0	0	108.4	I328 T332 F337 L373 S375 I377	I328-L334 HydrophobicContact CD1-CD1 4.13Å; T332-L334 HydrophobicContact CG2-CD2 3.53Å; T332-L334 HydrophobicContact CG2-CG 4.07Å; T332-L334 PolarHBondContact O-N 3.04Å; L334-F337 HydrophobicContact CB-CB 3.86Å; L334-F337 HydrophobicContact CD1-CB 3.66Å; L334-F337 HydrophobicContact CD1-CD1 4.14Å; L334-F337 HydrophobicContact CD1-CG 3.9Å; L334-F337 HydrophobicContact CD2-CB 4.19Å; L334-F337 HydrophobicContact CD2-CG 4.5Å; L334-F337 HydrophobicContact CG-CB 4.11Å; L334-L373 HydrophobicContact CD1-CB 4.41Å; L334-L373 HydrophobicContact CD1-CD1 4.35Å; L334-S375 PolarHBondContact N-O 3.39Å; L334-S375 CarbonylContact O-C 3.58Å; L334-S375 WeakPolarHBondContact O-CA 3.48Å; L334-S375 WeakPolarHBondContact O-CB 3.48Å; L334-I377 HydrophobicContact CD1-CD1 3.52Å; L334-I377 HydrophobicContact CD1-CG1 3.69Å; L334-I377 HydrophobicContact CG-CD1 4.11Å; L334-I377 HydrophobicContact CG-CG1 3.79Å
335	Q	71.7	Confident	87.2	Confident	97 Å²	97	41.8 Å²	41.8	45%	0.453	21%	0.208	S	C	.	.	S	Bend	trans	-113.4	116	166.1	-77.1	-176.4	-16.9	0	0	105.3	F337	Q335-F337 VanDerWaalsContact C-N 3.26Å; Q335-F337 PolarHBondContact O-N 3.3Å; Q335-F337 VanDerWaalsContact O-N 3.13Å
336	D	74.1	Confident	86.9	Confident	94 Å²	94	38.8 Å²	38.8	50%	0.503	19%	0.187	S	C	.	.	S	Bend	trans	60	23.7	176.6	-47.5	-41.4	0	0	0	116.5	M338	D336-M338 PolarHBondContact O-N 3.45Å
337	F	84.7	Confident	86.5	Confident	14 Å²	14	44.2 Å²	44.2	6%	0.061	21%	0.214	C	C	.	.			trans	-63.8	127.5	170.7	-175.9	-84	0	0	0	110	Y326 L334 Q335 L339 T372 L373	Y326-F337 AromaticContact CD1-CZ 3.92Å; Y326-F337 HydrophobicContact CD1-CZ 3.92Å; Y326-F337 AromaticContact CE1-CZ 3.87Å; Y326-F337 HydrophobicContact CE1-CZ 3.87Å; Y326-F337 HydrophobicContact CG-CZ 4.5Å; L334-F337 HydrophobicContact CB-CB 3.86Å; L334-F337 HydrophobicContact CD1-CB 3.66Å; L334-F337 HydrophobicContact CD1-CD1 4.14Å; L334-F337 HydrophobicContact CD1-CG 3.9Å; L334-F337 HydrophobicContact CD2-CB 4.19Å; L334-F337 HydrophobicContact CD2-CG 4.5Å; L334-F337 HydrophobicContact CG-CB 4.11Å; Q335-F337 VanDerWaalsContact C-N 3.26Å; Q335-F337 PolarHBondContact O-N 3.3Å; Q335-F337 VanDerWaalsContact O-N 3.13Å; F337-L339 HydrophobicContact CE1-CD2 4.12Å; F337-T372 WeakPolarHBondContact O-CA 3.49Å; F337-L373 HydrophobicContact CD1-CB 4.47Å; F337-L373 HydrophobicContact CD1-CD1 3.72Å; F337-L373 HydrophobicContact CD1-CG 4.12Å; F337-L373 HydrophobicContact CE1-CD1 3.92Å; F337-L373 PolarHBondContact O-N 2.83Å
338	M	87	Confident	86.1	Confident	52 Å²	52	44.9 Å²	44.9	26%	0.256	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.7	-175.9	-70.9	-177.5	-71.6	0	0	111.5	D336 R340 Y371 T372	D336-M338 PolarHBondContact O-N 3.45Å; M338-R340 HydrophobicContact CB-CG 4.34Å; M338-Y371 CarbonylContact C-O 3.47Å; M338-Y371 VanDerWaalsContact CA-O 3.3Å; M338-Y371 WeakPolarHBondContact CA-O 3.44Å; M338-T372 HydrophobicContact CG-CG2 4.45Å; M338-T372 WeakPolarHBondContact CG-OG1 3.26Å
339	L	91.6	Very high	86	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.8	158.3	-54.4	178.9	0	0	0	107.7	Y326 F337 W354 S370 Y371 L373 Y385 Y403 V405	Y326-L339 HydrophobicContact CD2-CD2 3.84Å; Y326-L339 HydrophobicContact CE2-CD2 3.56Å; F337-L339 HydrophobicContact CE1-CD2 4.12Å; L339-W354 HydrophobicContact CB-CH2 4.08Å; L339-W354 HydrophobicContact CB-CZ3 4.28Å; L339-W354 HydrophobicContact CD1-CZ3 4.3Å; L339-S370 CarbonylContact O-C 3.51Å; L339-S370 WeakPolarHBondContact O-CA 3.24Å; L339-Y371 HydrophobicContact CD1-CD1 4.26Å; L339-Y371 PolarHBondContact N-O 2.92Å; L339-Y371 PolarHBondContact O-N 3.31Å; L339-L373 HydrophobicContact CD1-CD2 4.26Å; L339-L373 HydrophobicContact CG-CD2 4.42Å; L339-L373 HydrophobicContact CG-CG 4.47Å; L339-Y385 HydrophobicContact CD1-CD1 4.07Å; L339-Y385 HydrophobicContact CD1-CD2 4.25Å; L339-Y385 HydrophobicContact CD1-CG 3.73Å; L339-Y403 HydrophobicContact CB-CD1 4.43Å; L339-Y403 HydrophobicContact CB-CD2 4.26Å; L339-Y403 HydrophobicContact CB-CE1 4.47Å; L339-Y403 HydrophobicContact CB-CE2 4.34Å; L339-Y403 HydrophobicContact CB-CG 4.31Å; L339-Y403 HydrophobicContact CD1-CD2 4.08Å; L339-Y403 HydrophobicContact CD1-CG 4.08Å; L339-Y403 HydrophobicContact CD2-CD1 4.24Å; L339-Y403 HydrophobicContact CD2-CG 4.17Å; L339-Y403 HydrophobicContact CG-CG 4.43Å; L339-V405 HydrophobicContact CD2-CG2 4.25Å
340	R	90.4	Very high	86.1	Confident	49 Å²	49	50.5 Å²	50.5	19%	0.185	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.4	-171.1	-65.9	172.6	-173	150.6	4	111.3	V251 E252 F253 M338 Y369 Y403	V251-R340 HydrophobicContact CG1-CB 4.49Å; V251-R340 HydrophobicContact CG1-CG 3.98Å; E252-R340 PolarHBondContact O-NE 2.81Å; E252-R340 PolarHBondContact O-NH1 2.81Å; E252-R340 PolarHBondContact O-NH2 2.96Å; E252-R340 VanDerWaalsContact O-NH2 3.11Å; F253-R340 HydrophobicContact CE1-CB 4.5Å; F253-R340 HydrophobicContact CZ-CB 4.24Å; M338-R340 HydrophobicContact CB-CG 4.34Å; R340-Y369 WeakPolarHBondContact CA-O 3.36Å; R340-Y403 PolarHBondContact O-OH 2.9Å
341	A	94	Very high	86.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.			trans	-119.2	96.4	179.4	0	0	0	0	0	109.7	W354 Y369 L387 F401 Y403	A341-W354 HydrophobicContact CB-CH2 4.5Å; A341-Y369 PolarHBondContact N-O 3.05Å; A341-Y369 WeakPolarHBondContact O-CA 3.29Å; A341-Y369 WeakPolarHBondContact O-CD1 3.39Å; A341-L387 HydrophobicContact CB-CB 4.41Å; A341-L387 HydrophobicContact CB-CD2 3.38Å; A341-F401 HydrophobicContact CB-CB 4.11Å; A341-F401 HydrophobicContact CB-CD1 3.91Å; A341-F401 HydrophobicContact CB-CD2 3.85Å; A341-F401 HydrophobicContact CB-CE1 4.3Å; A341-F401 HydrophobicContact CB-CE2 4.25Å; A341-F401 HydrophobicContact CB-CG 3.68Å; A341-F401 HydrophobicContact CB-CZ 4.46Å; A341-Y403 VanDerWaalsContact CA-OH 3.29Å; A341-Y403 WeakPolarHBondContact CA-OH 3.34Å; A341-Y403 WeakPolarHBondContact CB-OH 3.28Å; A341-Y403 PolarHBondContact N-OH 3.45Å
342	L	94.6	Very high	86.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.			trans	-97.2	134.6	177.4	-64.1	167.2	0	0	0	109.9	P193 V251 F253 Y259 T261 L319 T320 Y369	P193-L342 HydrophobicContact CB-CD2 4.37Å; P193-L342 HydrophobicContact CG-CD2 4.12Å; V251-L342 HydrophobicContact CB-CD2 4.28Å; V251-L342 HydrophobicContact CG2-CD2 4.18Å; F253-L342 HydrophobicContact CE2-CD1 3.75Å; F253-L342 HydrophobicContact CZ-CD1 3.83Å; Y259-L342 HydrophobicContact CD1-CD1 3.89Å; Y259-L342 HydrophobicContact CD2-CD1 3.29Å; Y259-L342 HydrophobicContact CE1-CD1 4.1Å; Y259-L342 HydrophobicContact CE2-CD1 3.52Å; Y259-L342 HydrophobicContact CG-CD1 3.47Å; Y259-L342 VanDerWaalsContact CG-CD1 3.47Å; Y259-L342 HydrophobicContact CG-CD2 4.38Å; T261-L342 HydrophobicContact CG2-CD2 4.44Å; L319-L342 WeakPolarHBondContact CA-O 3.14Å; L319-L342 HydrophobicContact CB-CB 3.81Å; L319-L342 WeakPolarHBondContact CB-O 3.45Å; L319-L342 HydrophobicContact CD1-CB 4.32Å; L319-L342 PolarHBondContact N-O 3.21Å; T320-L342 HydrophobicContact CG2-CB 3.92Å; T320-L342 HydrophobicContact CG2-CD1 4.03Å; T320-L342 HydrophobicContact CG2-CG 4.16Å; T320-L342 PolarHBondContact N-O 3.21Å; T320-L342 PolarHBondContact OG1-N 2.93Å; T320-L342 PolarHBondContact OG1-O 2.67Å; L342-Y369 HydrophobicContact CD2-CD1 4.41Å; L342-Y369 HydrophobicContact CD2-CG 4.14Å
343	Y	94.7	Very high	87	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.4	177.1	59.3	-85.8	0	0	0	110.5	P193 L316 Y317 Q345 K368 Y369 L387 V389 L399 F401	P193-Y343 WeakPolarHBondContact CD-O 3.41Å; L316-Y343 HydrophobicContact CD2-CD2 3.96Å; L316-Y343 HydrophobicContact CD2-CE2 4.2Å; Y317-Y343 CarbonylContact O-C 3.5Å; Y317-Y343 WeakPolarHBondContact O-CA 3.29Å; Y317-Y343 WeakPolarHBondContact O-CB 2.94Å; Y343-Q345 HydrophobicContact CD2-CB 4.47Å; Y343-Q345 HydrophobicContact CE2-CB 4.32Å; Y343-K368 WeakPolarHBondContact CE1-O 3.34Å; Y343-Y369 AromaticContact CD1-CD1 3.95Å; Y343-Y369 HydrophobicContact CD1-CD1 3.95Å; Y343-Y369 AromaticContact CD1-CE1 3.89Å; Y343-Y369 HydrophobicContact CD1-CE1 3.89Å; Y343-Y369 HydrophobicContact CD2-CE1 4.45Å; Y343-Y369 AromaticContact CE1-CD1 3.61Å; Y343-Y369 HydrophobicContact CE1-CD1 3.61Å; Y343-Y369 AromaticContact CE1-CE1 3.59Å; Y343-Y369 HydrophobicContact CE1-CE1 3.59Å; Y343-Y369 HydrophobicContact CE2-CE1 4.19Å; Y343-Y369 HydrophobicContact CG-CE1 4.31Å; Y343-Y369 AromaticContact CZ-CE1 3.76Å; Y343-L387 HydrophobicContact CE1-CD2 4.13Å; Y343-V389 HydrophobicContact CD1-CG2 4.15Å; Y343-V389 HydrophobicContact CD2-CG1 4.35Å; Y343-V389 HydrophobicContact CE1-CG2 3.58Å; Y343-V389 HydrophobicContact CE2-CB 4.45Å; Y343-V389 HydrophobicContact CE2-CG1 3.66Å; Y343-V389 HydrophobicContact CE2-CG2 4.15Å; Y343-L399 HydrophobicContact CG-CD1 4.36Å; Y343-F401 AromaticContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CZ 4.28Å; Y343-F401 HydrophobicContact CG-CE2 4.41Å
344	R	92.3	Very high	87.7	Confident	80 Å²	80	46.4 Å²	46.4	30%	0.302	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.5	167.2	-62.9	-172.4	-175.7	153	10.8	109.4	E191 L316 Y317 L319	E191-R344 VanDerWaalsContact OE2-CD 3.23Å; E191-R344 WeakPolarHBondContact OE2-CD 3.32Å; E191-R344 IonicContact OE2-CZ 2.72Å; E191-R344 IonicContact OE2-NE 3.61Å; E191-R344 PolarHBondContact OE2-NE 2.89Å; E191-R344 IonicContact OE2-NH1 3.48Å; E191-R344 PolarHBondContact OE2-NH1 3.42Å; L316-R344 WeakPolarHBondContact CA-O 3.43Å; Y317-R344 PolarHBondContact N-O 2.82Å; Y317-R344 PolarHBondContact O-N 3.21Å; L319-R344 HydrophobicContact CD1-CG 3.99Å; L319-R344 HydrophobicContact CD2-CG 4.2Å; L319-R344 HydrophobicContact CG-CG 4.22Å
345	Q	88	Confident	88.6	Confident	72 Å²	72	48.3 Å²	48.3	34%	0.336	24%	0.237	S	C	.	.			trans	-118.2	139.9	177.9	69.5	-179.1	31.8	0	0	110.7	L316 Y343	L316-Q345 HydrophobicContact CD2-CB 3.88Å; Y343-Q345 HydrophobicContact CD2-CB 4.47Å; Y343-Q345 HydrophobicContact CE2-CB 4.32Å
346	P	85.2	Confident	89.7	Confident	13 Å²	13	45.6 Å²	45.6	8%	0.084	22%	0.223	C	C	.	.			trans	-60.8	171.1	167.5	-22	34	0	0	0	112.8	S313 K315 G348 Y350	S313-P346 WeakPolarHBondContact O-CB 3.12Å; K315-P346 VanDerWaalsContact C-CG 3.48Å; P346-G348 PolarHBondContact O-N 3.39Å; P346-Y350 HydrophobicContact CB-CE2 4.25Å; P346-Y350 WeakPolarHBondContact CD-OH 2.97Å; P346-Y350 HydrophobicContact CG-CE2 4.4Å; P346-Y350 WeakPolarHBondContact CG-OH 3.46Å
347	Q	80.8	Confident	90.8	Very high	158 Å²	158	44.6 Å²	44.6	74%	0.738	22%	0.218	S	C	*	.	S	Bend	trans	-66.6	126.3	162.2	-70.5	-80.5	-27.5	0	0	108.5
348	G	82.1	Confident	91.2	Very high	44 Å²	44	52.8 Å²	52.8	45%	0.454	26%	0.257	S	S	.	.	S	Bend	trans	154.1	177.8	-177.9	0	0	0	0	0	112.1	P346	P346-G348 PolarHBondContact O-N 3.39Å
349	D	88	Confident	91.5	Very high	96 Å²	96	57.4 Å²	57.4	51%	0.513	28%	0.277	S	S	.	.			trans	-91.4	119.2	176	-167.9	24.8	0	0	0	110.7	N392	D349-N392 HydrophobicContact CB-CB 4.33Å; D349-N392 PolarHBondContact O-N 2.99Å; D349-N392 PolarHBondContact OD2-ND2 2.79Å
350	Y	91.6	Very high	91.6	Very high	37 Å²	37	62.3 Å²	62.3	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.7	-176.6	-74.1	-93.9	0	0	0	109.6	L316 P346 K390 S391 D397	L316-Y350 HydrophobicContact CD1-CD1 3.95Å; L316-Y350 HydrophobicContact CD1-CE1 3.73Å; L316-Y350 HydrophobicContact CD2-CD1 3.83Å; L316-Y350 HydrophobicContact CD2-CE1 3.74Å; L316-Y350 HydrophobicContact CG-CD1 4.03Å; L316-Y350 HydrophobicContact CG-CE1 3.54Å; P346-Y350 HydrophobicContact CB-CE2 4.25Å; P346-Y350 WeakPolarHBondContact CD-OH 2.97Å; P346-Y350 HydrophobicContact CG-CE2 4.4Å; P346-Y350 WeakPolarHBondContact CG-OH 3.46Å; Y350-K390 WeakPolarHBondContact CA-O 3.34Å; Y350-K390 WeakPolarHBondContact CD1-O 3.43Å; Y350-S391 VanDerWaalsContact CD1-CA 3.49Å; Y350-S391 VanDerWaalsContact CE1-CB 3.44Å; Y350-D397 WeakPolarHBondContact CE1-OD2 3.24Å; Y350-D397 PolarHBondContact OH-OD2 2.81Å
351	E	92.1	Very high	91.7	Very high	56 Å²	56	61.3 Å²	61.3	26%	0.262	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.1	172.9	63.4	178.8	167.9	0	0	111.3	H353 V389 K390 N392	E351-H353 IonicContact OE2-CD2 3.61Å; E351-H353 IonicContact OE2-CE1 2.77Å; E351-H353 IonicContact OE2-NE2 3.54Å; E351-H353 PolarHBondContact OE2-NE2 3.47Å; E351-V389 WeakPolarHBondContact O-CA 3.36Å; E351-K390 HydrophobicContact CG-CD 4.19Å; E351-K390 HydrophobicContact CG-CG 3.67Å; E351-K390 PolarHBondContact N-O 3.02Å; E351-K390 PolarHBondContact O-N 3.34Å; E351-K390 WeakPolarHBondContact OE1-CD 3.34Å; E351-K390 WeakPolarHBondContact OE1-CE 3.18Å; E351-K390 IonicContact OE1-NZ 3.1Å; E351-K390 PolarHBondContact OE1-NZ 3.02Å; E351-N392 WeakPolarHBondContact CG-OD1 3.45Å
352	F	92.5	Very high	91.1	Very high	66 Å²	66	69 Å²	69	29%	0.289	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.3	176.1	69	-88.3	0	0	0	109.9	K368 L387 V388 V389	F352-K368 HydrophobicContact CD1-CB 3.76Å; F352-K368 HydrophobicContact CD2-CB 4.04Å; F352-K368 HydrophobicContact CE1-CB 3.74Å; F352-K368 HydrophobicContact CE2-CB 4.02Å; F352-K368 HydrophobicContact CG-CB 3.91Å; F352-K368 HydrophobicContact CZ-CB 3.87Å; F352-L387 HydrophobicContact CB-CD1 4.07Å; F352-L387 HydrophobicContact CD2-CD1 4.41Å; F352-V388 VanDerWaalsContact CA-O 3.31Å; F352-V388 WeakPolarHBondContact CA-O 3.11Å; F352-V389 HydrophobicContact CB-CG2 4.36Å
353	H	94.3	Very high	90	Very high	39 Å²	39	72.8 Å²	72.8	18%	0.181	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.2	-179.9	-61.9	-68.9	0	0	0	109.9	E351 F355 M360 V388	E351-H353 IonicContact OE2-CD2 3.61Å; E351-H353 IonicContact OE2-CE1 2.77Å; E351-H353 IonicContact OE2-NE2 3.54Å; E351-H353 PolarHBondContact OE2-NE2 3.47Å; H353-F355 HydrophobicContact CB-CD2 4.42Å; H353-F355 HydrophobicContact CB-CE2 3.48Å; H353-F355 VanDerWaalsContact CB-CE2 3.48Å; H353-F355 HydrophobicContact CB-CZ 3.67Å; H353-F355 WeakPolarHBondContact O-CD2 2.99Å; H353-F355 WeakPolarHBondContact O-CE2 3.01Å; H353-M360 HydrophobicContact CB-CE 4.42Å; H353-M360 WeakPolarHBondContact ND1-CE 3.16Å; H353-V388 PolarHBondContact N-O 2.98Å; H353-V388 PolarHBondContact O-N 3.22Å
354	W	95.7	Very high	88.7	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.9	172.9	-78	92	0	0	0	110.1	L339 A341 L361 A366 T367 Y371 S386 L387 Y403	L339-W354 HydrophobicContact CB-CH2 4.08Å; L339-W354 HydrophobicContact CB-CZ3 4.28Å; L339-W354 HydrophobicContact CD1-CZ3 4.3Å; A341-W354 HydrophobicContact CB-CH2 4.5Å; W354-L361 HydrophobicContact CB-CB 4.13Å; W354-L361 HydrophobicContact CB-CD1 4.14Å; W354-L361 PolarHBondContact O-N 2.87Å; W354-A366 HydrophobicContact CG-CB 4.17Å; W354-T367 PolarHBondContact NE1-O 2.93Å; W354-Y371 HydrophobicContact CD2-CD2 4.37Å; W354-Y371 HydrophobicContact CD2-CG 4.31Å; W354-Y371 HydrophobicContact CE3-CG 4.22Å; W354-Y371 HydrophobicContact CG-CD2 4.35Å; W354-S386 CarbonylContact C-O 3.2Å; W354-S386 WeakPolarHBondContact CA-O 3.4Å; W354-L387 HydrophobicContact CD2-CB 3.99Å; W354-L387 HydrophobicContact CD2-CD1 4.06Å; W354-L387 HydrophobicContact CE3-CB 4.03Å; W354-L387 HydrophobicContact CG-CD1 4.06Å; W354-L387 HydrophobicContact CH2-CB 3.98Å; W354-L387 HydrophobicContact CZ2-CB 3.92Å; W354-L387 HydrophobicContact CZ2-CD1 4.38Å; W354-L387 HydrophobicContact CZ2-CD2 4.02Å; W354-L387 HydrophobicContact CZ2-CG 4.32Å; W354-L387 HydrophobicContact CZ3-CB 4.03Å; W354-Y403 HydrophobicContact CH2-CD2 4.39Å; W354-Y403 AromaticContact CH2-CE2 3.76Å; W354-Y403 HydrophobicContact CH2-CE2 3.76Å; W354-Y403 AromaticContact CZ3-CD2 3.97Å; W354-Y403 HydrophobicContact CZ3-CD2 3.97Å; W354-Y403 AromaticContact CZ3-CE2 3.75Å; W354-Y403 HydrophobicContact CZ3-CE2 3.75Å
355	F	95.8	Very high	87.9	Confident	47 Å²	47	85.8 Å²	85.8	21%	0.206	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152	177.4	-55.9	-97.2	0	0	0	110.3	H353 Q359 M360 Y385 S386 V388	H353-F355 HydrophobicContact CB-CD2 4.42Å; H353-F355 HydrophobicContact CB-CE2 3.48Å; H353-F355 VanDerWaalsContact CB-CE2 3.48Å; H353-F355 HydrophobicContact CB-CZ 3.67Å; H353-F355 WeakPolarHBondContact O-CD2 2.99Å; H353-F355 WeakPolarHBondContact O-CE2 3.01Å; F355-Q359 CarbonylContact C-O 3.56Å; F355-Q359 WeakPolarHBondContact CA-O 3.1Å; F355-M360 HydrophobicContact CD1-CB 4.09Å; F355-M360 HydrophobicContact CE1-CB 3.98Å; F355-M360 HydrophobicContact CE1-CG 4.35Å; F355-Y385 CarbonylContact O-C 3.59Å; F355-Y385 VanDerWaalsContact O-CA 3.26Å; F355-Y385 WeakPolarHBondContact O-CA 3.14Å; F355-S386 PolarHBondContact N-O 3.03Å; F355-S386 PolarHBondContact O-N 2.89Å; F355-V388 HydrophobicContact CD2-CG2 3.92Å; F355-V388 HydrophobicContact CE2-CB 3.98Å; F355-V388 HydrophobicContact CE2-CG2 3.69Å
356	K	95.5	Very high	87.7	Confident	39 Å²	39	83 Å²	83	17%	0.17	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.3	164.6	-176.3	-173.9	-173.7	-81.5	0	107.6	E358 Q359 L361 S380 S382 V384 Y385	K356-E358 PolarHBondContact O-N 3.03Å; K356-Q359 PolarHBondContact N-O 2.98Å; K356-Q359 WeakPolarHBondContact O-CA 3.39Å; K356-Q359 WeakPolarHBondContact O-CB 3.36Å; K356-Q359 PolarHBondContact O-N 2.87Å; K356-L361 HydrophobicContact CB-CD1 3.99Å; K356-L361 HydrophobicContact CB-CD2 3.84Å; K356-L361 HydrophobicContact CB-CG 4.02Å; K356-S380 WeakPolarHBondContact CE-O 3.38Å; K356-S380 PolarHBondContact NZ-O 2.79Å; K356-S382 WeakPolarHBondContact CE-O 3.23Å; K356-S382 PolarHBondContact NZ-O 3.21Å; K356-V384 WeakPolarHBondContact CA-O 3.36Å; K356-Y385 HydrophobicContact CB-CD1 4.15Å; K356-Y385 HydrophobicContact CB-CE1 4.05Å; K356-Y385 HydrophobicContact CD-CE1 3.87Å; K356-Y385 HydrophobicContact CD-CE2 4.22Å; K356-Y385 WeakPolarHBondContact CD-OH 2.87Å; K356-Y385 WeakPolarHBondContact CE-OH 3.36Å; K356-Y385 HydrophobicContact CG-CD1 4.28Å; K356-Y385 HydrophobicContact CG-CD2 4.5Å; K356-Y385 HydrophobicContact CG-CE1 3.94Å; K356-Y385 HydrophobicContact CG-CE2 4.17Å
357	D	95.6	Very high	87.9	Confident	73 Å²	73	84.1 Å²	84.1	39%	0.39	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	46.7	179	-50.5	-45.1	0	0	0	111.2	Q359 G383 V384	D357-Q359 PolarHBondContact O-N 3.37Å; D357-Q359 VanDerWaalsContact O-N 3.09Å; D357-G383 VanDerWaalsContact OD1-CA 3.25Å; D357-G383 WeakPolarHBondContact OD1-CA 3.49Å; D357-V384 PolarHBondContact N-O 3.04Å; D357-V384 PolarHBondContact OD1-N 3.11Å
358	E	93.2	Very high	88.3	Confident	187 Å²	187	79.7 Å²	79.7	87%	0.874	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	-3.4	-176.8	-50.1	-179.6	167.9	0	0	116.1	K356	K356-E358 PolarHBondContact O-N 3.03Å
359	Q	94.7	Very high	88.7	Confident	148 Å²	148	77.9 Å²	77.9	69%	0.692	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.2	175.9	-59.3	-177.5	14.4	0	0	111.4	F355 K356 D357 L361	F355-Q359 CarbonylContact C-O 3.56Å; F355-Q359 WeakPolarHBondContact CA-O 3.1Å; K356-Q359 PolarHBondContact N-O 2.98Å; K356-Q359 WeakPolarHBondContact O-CA 3.39Å; K356-Q359 WeakPolarHBondContact O-CB 3.36Å; K356-Q359 PolarHBondContact O-N 2.87Å; D357-Q359 PolarHBondContact O-N 3.37Å; D357-Q359 VanDerWaalsContact O-N 3.09Å; Q359-L361 PolarHBondContact O-N 3.25Å
360	M	93.6	Very high	88.8	Confident	103 Å²	103	73.6 Å²	73.6	51%	0.507	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.3	-180	-172.8	176.7	176.1	0	0	111.4	H353 F355	H353-M360 HydrophobicContact CB-CE 4.42Å; H353-M360 WeakPolarHBondContact ND1-CE 3.16Å; F355-M360 HydrophobicContact CD1-CB 4.09Å; F355-M360 HydrophobicContact CE1-CB 3.98Å; F355-M360 HydrophobicContact CE1-CG 4.35Å
361	L	91.9	Very high	88.8	Confident	29 Å²	29	72.5 Å²	72.5	15%	0.152	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.5	149.8	178	-69.3	169.1	0	0	0	111.2	W354 K356 Q359 Y371 Y385	W354-L361 HydrophobicContact CB-CB 4.13Å; W354-L361 HydrophobicContact CB-CD1 4.14Å; W354-L361 PolarHBondContact O-N 2.87Å; K356-L361 HydrophobicContact CB-CD1 3.99Å; K356-L361 HydrophobicContact CB-CD2 3.84Å; K356-L361 HydrophobicContact CB-CG 4.02Å; Q359-L361 PolarHBondContact O-N 3.25Å; L361-Y371 HydrophobicContact CB-CE2 4.23Å; L361-Y371 HydrophobicContact CD1-CD2 4.24Å; L361-Y371 HydrophobicContact CD1-CE1 4.19Å; L361-Y371 HydrophobicContact CD1-CE2 3.71Å; L361-Y371 HydrophobicContact CG-CE2 4.46Å; L361-Y385 HydrophobicContact CD1-CD1 3.79Å; L361-Y385 HydrophobicContact CD1-CE1 4.02Å
362	H	80.6	Confident	88.7	Confident	161 Å²	161	71.7 Å²	71.7	75%	0.745	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-74.7	131.1	178.9	-71.8	72.2	0	0	0	111.5	R364	H362-R364 PolarHBondContact O-N 3.42Å
363	N	71.5	Confident	88.5	Confident	80 Å²	80	68.7 Å²	68.7	43%	0.428	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-66.7	-8.7	-172.9	-73.9	-11.5	0	0	0	116.2	I365 A366	N363-I365 PolarHBondContact O-N 2.93Å; N363-I365 VanDerWaalsContact O-N 3.17Å; N363-A366 PolarHBondContact O-N 2.82Å; N363-A366 VanDerWaalsContact O-N 3.16Å
364	R	68.4	Low	88.3	Confident	254 Å²	254	69.8 Å²	69.8	96%	0.958	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.3	-24.6	-173.1	-71.8	-170	-178.8	-172.1	2	114.6	H362	H362-R364 PolarHBondContact O-N 3.42Å
365	I	74.7	Confident	87.8	Confident	100 Å²	100	73.3 Å²	73.3	51%	0.513	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-112.8	2.5	178.9	30.2	170	0	0	0	112.2	N363 Y371 T372	N363-I365 PolarHBondContact O-N 2.93Å; N363-I365 VanDerWaalsContact O-N 3.17Å; I365-Y371 HydrophobicContact CD1-CE2 4.27Å; I365-Y371 HydrophobicContact CG1-CE2 4.38Å; I365-T372 PolarHBondContact O-N 2.76Å
366	A	85.1	Confident	87.4	Confident	13 Å²	13	76.2 Å²	76.2	11%	0.107	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-112.5	131.7	-175.8	0	0	0	0	0	110.1	W354 N363 Y371	W354-A366 HydrophobicContact CG-CB 4.17Å; N363-A366 PolarHBondContact O-N 2.82Å; N363-A366 VanDerWaalsContact O-N 3.16Å; A366-Y371 HydrophobicContact CB-CD2 3.75Å; A366-Y371 HydrophobicContact CB-CE2 4.34Å
367	T	87.9	Confident	87.2	Confident	37 Å²	37	74.4 Å²	74.4	23%	0.227	37%	0.369	C	S	.	.			trans	-104.7	172.3	166.3	81	0	0	0	0	109.3	N248 W354 Y369 S370	N248-T367 WeakPolarHBondContact OD1-CG2 3.45Å; W354-T367 PolarHBondContact NE1-O 2.93Å; T367-Y369 PolarHBondContact O-N 2.68Å; T367-Y369 PolarHBondContact OG1-N 2.76Å; T367-Y369 VanDerWaalsContact OG1-N 3.13Å; T367-S370 PolarHBondContact N-O 2.95Å; T367-S370 PolarHBondContact OG1-N 3.04Å; T367-S370 PolarHBondContact OG1-O 2.84Å; T367-S370 PolarHBondContact OG1-OG 3.36Å
368	K	89	Confident	87	Confident	64 Å²	64	74.5 Å²	74.5	28%	0.278	37%	0.369	S	S	.	.	S	Bend	trans	-61.3	-20.3	172.3	61.4	165.3	170.4	164.7	0	114.1	Y343 F352 L387	Y343-K368 WeakPolarHBondContact CE1-O 3.34Å; F352-K368 HydrophobicContact CD1-CB 3.76Å; F352-K368 HydrophobicContact CD2-CB 4.04Å; F352-K368 HydrophobicContact CE1-CB 3.74Å; F352-K368 HydrophobicContact CE2-CB 4.02Å; F352-K368 HydrophobicContact CG-CB 3.91Å; F352-K368 HydrophobicContact CZ-CB 3.87Å; K368-L387 WeakPolarHBondContact O-CD2 3.08Å
369	Y	92	Very high	86.8	Confident	6 Å²	6	69 Å²	69	2%	0.024	34%	0.343	C	S	.	.	S	Bend	trans	-118.9	-6.9	-176.5	-60	-48.3	0	0	0	114	P193 T261 R340 A341 L342 Y343 T367	P193-Y369 HydrophobicContact CG-CD2 4.48Å; P193-Y369 HydrophobicContact CG-CE1 4.07Å; P193-Y369 HydrophobicContact CG-CE2 3.8Å; T261-Y369 HydrophobicContact CG2-CD2 3.42Å; T261-Y369 VanDerWaalsContact CG2-CD2 3.42Å; T261-Y369 HydrophobicContact CG2-CE2 3.6Å; T261-Y369 HydrophobicContact CG2-CG 4.42Å; R340-Y369 WeakPolarHBondContact CA-O 3.36Å; A341-Y369 PolarHBondContact N-O 3.05Å; A341-Y369 WeakPolarHBondContact O-CA 3.29Å; A341-Y369 WeakPolarHBondContact O-CD1 3.39Å; L342-Y369 HydrophobicContact CD2-CD1 4.41Å; L342-Y369 HydrophobicContact CD2-CG 4.14Å; Y343-Y369 AromaticContact CD1-CD1 3.95Å; Y343-Y369 HydrophobicContact CD1-CD1 3.95Å; Y343-Y369 AromaticContact CD1-CE1 3.89Å; Y343-Y369 HydrophobicContact CD1-CE1 3.89Å; Y343-Y369 HydrophobicContact CD2-CE1 4.45Å; Y343-Y369 AromaticContact CE1-CD1 3.61Å; Y343-Y369 HydrophobicContact CE1-CD1 3.61Å; Y343-Y369 AromaticContact CE1-CE1 3.59Å; Y343-Y369 HydrophobicContact CE1-CE1 3.59Å; Y343-Y369 HydrophobicContact CE2-CE1 4.19Å; Y343-Y369 HydrophobicContact CG-CE1 4.31Å; Y343-Y369 AromaticContact CZ-CE1 3.76Å; T367-Y369 PolarHBondContact O-N 2.68Å; T367-Y369 PolarHBondContact OG1-N 2.76Å; T367-Y369 VanDerWaalsContact OG1-N 3.13Å
370	S	90.1	Very high	86.7	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	152.4	-175.9	63.4	0	0	0	0	113.9	L339 T367	L339-S370 CarbonylContact O-C 3.51Å; L339-S370 WeakPolarHBondContact O-CA 3.24Å; T367-S370 PolarHBondContact N-O 2.95Å; T367-S370 PolarHBondContact OG1-N 3.04Å; T367-S370 PolarHBondContact OG1-O 2.84Å; T367-S370 PolarHBondContact OG1-OG 3.36Å
371	Y	91.3	Very high	86.7	Confident	15 Å²	15	61 Å²	61	6%	0.059	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.7	170.1	-179.3	-95.8	0	0	0	109.5	M338 L339 W354 L361 I365 A366 L373 Y385	M338-Y371 CarbonylContact C-O 3.47Å; M338-Y371 VanDerWaalsContact CA-O 3.3Å; M338-Y371 WeakPolarHBondContact CA-O 3.44Å; L339-Y371 HydrophobicContact CD1-CD1 4.26Å; L339-Y371 PolarHBondContact N-O 2.92Å; L339-Y371 PolarHBondContact O-N 3.31Å; W354-Y371 HydrophobicContact CD2-CD2 4.37Å; W354-Y371 HydrophobicContact CD2-CG 4.31Å; W354-Y371 HydrophobicContact CE3-CG 4.22Å; W354-Y371 HydrophobicContact CG-CD2 4.35Å; L361-Y371 HydrophobicContact CB-CE2 4.23Å; L361-Y371 HydrophobicContact CD1-CD2 4.24Å; L361-Y371 HydrophobicContact CD1-CE1 4.19Å; L361-Y371 HydrophobicContact CD1-CE2 3.71Å; L361-Y371 HydrophobicContact CG-CE2 4.46Å; I365-Y371 HydrophobicContact CD1-CE2 4.27Å; I365-Y371 HydrophobicContact CG1-CE2 4.38Å; A366-Y371 HydrophobicContact CB-CD2 3.75Å; A366-Y371 HydrophobicContact CB-CE2 4.34Å; Y371-L373 HydrophobicContact CD1-CD2 4.09Å; Y371-L373 HydrophobicContact CE1-CD2 3.99Å; Y371-Y385 HydrophobicContact CD1-CD1 4.11Å; Y371-Y385 HydrophobicContact CD1-CE1 4.16Å; Y371-Y385 AromaticContact CE1-CD1 3.94Å; Y371-Y385 HydrophobicContact CE1-CD1 3.94Å; Y371-Y385 AromaticContact CE1-CE1 3.57Å; Y371-Y385 HydrophobicContact CE1-CE1 3.57Å
372	T	89.1	Confident	86.8	Confident	38 Å²	38	61.5 Å²	61.5	23%	0.233	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.4	-180	-53.8	0	0	0	0	110.3	F337 M338 I365	F337-T372 WeakPolarHBondContact O-CA 3.49Å; M338-T372 HydrophobicContact CG-CG2 4.45Å; M338-T372 WeakPolarHBondContact CG-OG1 3.26Å; I365-T372 PolarHBondContact O-N 2.76Å
373	L	89.7	Confident	87.6	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.8	155.5	173.7	-67.3	-174.6	0	0	0	110.9	I328 L334 F337 L339 Y371 V381 Y385 V405	I328-L373 HydrophobicContact CD1-CD1 3.94Å; L334-L373 HydrophobicContact CD1-CB 4.41Å; L334-L373 HydrophobicContact CD1-CD1 4.35Å; F337-L373 HydrophobicContact CD1-CB 4.47Å; F337-L373 HydrophobicContact CD1-CD1 3.72Å; F337-L373 HydrophobicContact CD1-CG 4.12Å; F337-L373 HydrophobicContact CE1-CD1 3.92Å; F337-L373 PolarHBondContact O-N 2.83Å; L339-L373 HydrophobicContact CD1-CD2 4.26Å; L339-L373 HydrophobicContact CG-CD2 4.42Å; L339-L373 HydrophobicContact CG-CG 4.47Å; Y371-L373 HydrophobicContact CD1-CD2 4.09Å; Y371-L373 HydrophobicContact CE1-CD2 3.99Å; L373-V381 HydrophobicContact CD1-CG1 4.37Å; L373-V381 HydrophobicContact CD2-CG1 4.22Å; L373-Y385 HydrophobicContact CD2-CE1 4.12Å; L373-Y385 HydrophobicContact CD2-CE2 4.34Å; L373-V405 HydrophobicContact CD1-CG1 4.45Å
374	P	88.6	Confident	88.8	Confident	61 Å²	61	53.6 Å²	53.6	40%	0.396	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-55.1	147.9	173.9	-25.4	35.6	0	0	0	112.4	L376 I377 V381	P374-L376 PolarHBondContact O-N 3.49Å; P374-I377 WeakPolarHBondContact O-CD1 3.46Å; P374-V381 HydrophobicContact CB-CG2 4.45Å; P374-V381 HydrophobicContact CG-CG2 4Å
375	S	85.9	Confident	90.1	Very high	74 Å²	74	41.8 Å²	41.8	52%	0.517	24%	0.243	S	C	.	.	S	Bend	trans	-70.8	-31.2	-175.3	-56.4	0	0	0	0	113.9	K333 L334	K333-S375 CarbonylContact C-O 3.49Å; K333-S375 VanDerWaalsContact CA-O 3.24Å; K333-S375 WeakPolarHBondContact CA-O 3.38Å; L334-S375 PolarHBondContact N-O 3.39Å; L334-S375 CarbonylContact O-C 3.58Å; L334-S375 WeakPolarHBondContact O-CA 3.48Å; L334-S375 WeakPolarHBondContact O-CB 3.48Å
376	L	88	Confident	91.2	Very high	108 Å²	108	38.1 Å²	38.1	57%	0.565	23%	0.226	S	C	*	.	B	Isolated β-bridge	trans	-107	124.7	172.1	-177.1	66	0	0	0	108.5	K333 P374	K333-L376 HydrophobicContact CG-CD1 4.23Å; P374-L376 PolarHBondContact O-N 3.49Å
377	I	89.6	Confident	91.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	22%	0.221	C	C	.	.			trans	-90.3	121.3	-176.7	-59.3	-62.7	0	0	0	110.9	I328 G331 T332 L334 P374 V381 V407	I328-I377 HydrophobicContact CG2-CB 4.44Å; I328-I377 HydrophobicContact CG2-CG1 4.08Å; I328-I377 HydrophobicContact CG2-CG2 4.06Å; G331-I377 PolarHBondContact N-O 3.39Å; T332-I377 WeakPolarHBondContact O-CG1 3.43Å; T332-I377 PolarHBondContact O-N 3.1Å; L334-I377 HydrophobicContact CD1-CD1 3.52Å; L334-I377 HydrophobicContact CD1-CG1 3.69Å; L334-I377 HydrophobicContact CG-CD1 4.11Å; L334-I377 HydrophobicContact CG-CG1 3.79Å; P374-I377 WeakPolarHBondContact O-CD1 3.46Å; I377-V381 HydrophobicContact CD1-CB 4.41Å; I377-V381 HydrophobicContact CD1-CG1 3.96Å; I377-V381 HydrophobicContact CD1-CG2 4.17Å; I377-V407 HydrophobicContact CG2-CB 4.44Å; I377-V407 HydrophobicContact CG2-CG1 3.82Å; I377-V407 HydrophobicContact CG2-CG2 3.73Å
378	D	91.6	Very high	92.1	Very high	74 Å²	74	37 Å²	37	40%	0.396	22%	0.218	S	C	.	.			trans	-122.9	-177.6	168.7	67.4	24.8	0	0	0	110.5	S380 V381 V407	D378-S380 PolarHBondContact O-N 3.25Å; D378-S380 WeakPolarHBondContact OD1-CA 3.49Å; D378-S380 VanDerWaalsContact OD1-CB 3.24Å; D378-S380 WeakPolarHBondContact OD1-CB 3.17Å; D378-S380 PolarHBondContact OD1-N 2.71Å; D378-S380 PolarHBondContact OD1-OG 2.87Å; D378-V381 PolarHBondContact O-N 3.27Å; D378-V407 WeakPolarHBondContact O-CG2 3.01Å
379	E	90.2	Very high	92.4	Very high	73 Å²	73	34 Å²	34	34%	0.341	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-65.9	-22.8	-176.9	-65.1	178.9	-159.2	0	0	113.5	K330 V381 S382 R440	K330-E379 HydrophobicContact CD-CG 4.16Å; K330-E379 IonicContact NZ-OE1 3.6Å; K330-E379 PolarHBondContact NZ-OE1 2.98Å; E379-V381 PolarHBondContact O-N 3.22Å; E379-S382 VanDerWaalsContact O-CB 3.29Å; E379-S382 WeakPolarHBondContact O-CB 3.18Å; E379-S382 PolarHBondContact O-N 2.87Å; E379-R440 VanDerWaalsContact CD-NH2 3.35Å; E379-R440 IonicContact OE1-CZ 2.69Å; E379-R440 IonicContact OE1-NH1 2.69Å; E379-R440 IonicContact OE1-NH2 3.52Å; E379-R440 PolarHBondContact OE1-NH2 2.82Å; E379-R440 IonicContact OE2-CZ 3.97Å; E379-R440 IonicContact OE2-NH1 2.77Å; E379-R440 PolarHBondContact OE2-NH1 3.22Å; E379-R440 IonicContact OE2-NH2 3.14Å; E379-R440 PolarHBondContact OE2-NH2 3.24Å
380	S	92.1	Very high	92.6	Very high	80 Å²	80	37.3 Å²	37.3	56%	0.559	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-68.1	-22	179.4	79.1	0	0	0	0	112.7	K356 D378 S382	K356-S380 WeakPolarHBondContact CE-O 3.38Å; K356-S380 PolarHBondContact NZ-O 2.79Å; D378-S380 PolarHBondContact O-N 3.25Å; D378-S380 WeakPolarHBondContact OD1-CA 3.49Å; D378-S380 VanDerWaalsContact OD1-CB 3.24Å; D378-S380 WeakPolarHBondContact OD1-CB 3.17Å; D378-S380 PolarHBondContact OD1-N 2.71Å; D378-S380 PolarHBondContact OD1-OG 2.87Å; S380-S382 VanDerWaalsContact C-N 3.27Å
381	V	93.3	Very high	92.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-73.7	-20.4	174.8	-174.4	0	0	0	0	111.5	L373 P374 I377 D378 E379 Y385 V405 V407	L373-V381 HydrophobicContact CD1-CG1 4.37Å; L373-V381 HydrophobicContact CD2-CG1 4.22Å; P374-V381 HydrophobicContact CB-CG2 4.45Å; P374-V381 HydrophobicContact CG-CG2 4Å; I377-V381 HydrophobicContact CD1-CB 4.41Å; I377-V381 HydrophobicContact CD1-CG1 3.96Å; I377-V381 HydrophobicContact CD1-CG2 4.17Å; D378-V381 PolarHBondContact O-N 3.27Å; E379-V381 PolarHBondContact O-N 3.22Å; V381-Y385 WeakPolarHBondContact O-CE2 3.32Å; V381-Y385 PolarHBondContact O-OH 2.83Å; V381-V405 HydrophobicContact CG1-CG1 4.37Å; V381-V407 HydrophobicContact CB-CG2 4.1Å
382	S	94.6	Very high	92.7	Very high	38 Å²	38	40.3 Å²	40.3	27%	0.266	24%	0.237	S	C	.	.			trans	-65.2	140.4	176.1	-152.4	0	0	0	0	110.5	K356 E379 S380 V405 V407	K356-S382 WeakPolarHBondContact CE-O 3.23Å; K356-S382 PolarHBondContact NZ-O 3.21Å; E379-S382 VanDerWaalsContact O-CB 3.29Å; E379-S382 WeakPolarHBondContact O-CB 3.18Å; E379-S382 PolarHBondContact O-N 2.87Å; S380-S382 VanDerWaalsContact C-N 3.27Å; S382-V405 CarbonylContact C-O 3.42Å; S382-V405 VanDerWaalsContact CA-O 3.25Å; S382-V405 WeakPolarHBondContact CA-O 3.32Å; S382-V405 PolarHBondContact OG-O 3.39Å; S382-V405 VanDerWaalsContact OG-O 3.09Å; S382-V407 PolarHBondContact OG-N 2.94Å; S382-V407 VanDerWaalsContact OG-N 3.16Å
383	G	96	Very high	92.7	Very high	12 Å²	12	46 Å²	46	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.2	-179.1	178.2	0	0	0	0	0	113.1	D357 V405	D357-G383 VanDerWaalsContact OD1-CA 3.25Å; D357-G383 WeakPolarHBondContact OD1-CA 3.49Å; G383-V405 PolarHBondContact N-O 2.84Å; G383-V405 PolarHBondContact O-N 2.86Å
384	V	97.5	Very high	92.6	Very high	64 Å²	64	49 Å²	49	39%	0.388	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.8	178.9	-177.9	0	0	0	0	109	K356 D357 T402	K356-V384 WeakPolarHBondContact CA-O 3.36Å; D357-V384 PolarHBondContact N-O 3.04Å; D357-V384 PolarHBondContact OD1-N 3.11Å; V384-T402 HydrophobicContact CG1-CG2 3.44Å; V384-T402 VanDerWaalsContact CG1-CG2 3.44Å
385	Y	96.7	Very high	92.4	Very high	6 Å²	6	52.8 Å²	52.8	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.3	172.6	-66.9	-103	0	0	0	109.5	L339 F355 K356 L361 Y371 L373 V381 T402 Y403 V405	L339-Y385 HydrophobicContact CD1-CD1 4.07Å; L339-Y385 HydrophobicContact CD1-CD2 4.25Å; L339-Y385 HydrophobicContact CD1-CG 3.73Å; F355-Y385 CarbonylContact O-C 3.59Å; F355-Y385 VanDerWaalsContact O-CA 3.26Å; F355-Y385 WeakPolarHBondContact O-CA 3.14Å; K356-Y385 HydrophobicContact CB-CD1 4.15Å; K356-Y385 HydrophobicContact CB-CE1 4.05Å; K356-Y385 HydrophobicContact CD-CE1 3.87Å; K356-Y385 HydrophobicContact CD-CE2 4.22Å; K356-Y385 WeakPolarHBondContact CD-OH 2.87Å; K356-Y385 WeakPolarHBondContact CE-OH 3.36Å; K356-Y385 HydrophobicContact CG-CD1 4.28Å; K356-Y385 HydrophobicContact CG-CD2 4.5Å; K356-Y385 HydrophobicContact CG-CE1 3.94Å; K356-Y385 HydrophobicContact CG-CE2 4.17Å; L361-Y385 HydrophobicContact CD1-CD1 3.79Å; L361-Y385 HydrophobicContact CD1-CE1 4.02Å; Y371-Y385 HydrophobicContact CD1-CD1 4.11Å; Y371-Y385 HydrophobicContact CD1-CE1 4.16Å; Y371-Y385 AromaticContact CE1-CD1 3.94Å; Y371-Y385 HydrophobicContact CE1-CD1 3.94Å; Y371-Y385 AromaticContact CE1-CE1 3.57Å; Y371-Y385 HydrophobicContact CE1-CE1 3.57Å; L373-Y385 HydrophobicContact CD2-CE1 4.12Å; L373-Y385 HydrophobicContact CD2-CE2 4.34Å; V381-Y385 WeakPolarHBondContact O-CE2 3.32Å; V381-Y385 PolarHBondContact O-OH 2.83Å; Y385-T402 CarbonylContact O-C 3.58Å; Y385-T402 WeakPolarHBondContact O-CA 3.34Å; Y385-Y403 PolarHBondContact N-O 3.46Å; Y385-Y403 PolarHBondContact O-N 3.28Å; Y385-V405 HydrophobicContact CD2-CB 4.06Å; Y385-V405 HydrophobicContact CD2-CG2 3.65Å; Y385-V405 HydrophobicContact CE2-CB 3.96Å; Y385-V405 HydrophobicContact CE2-CG2 3.92Å
386	S	97	Very high	92.5	Very high	22 Å²	22	53.2 Å²	53.2	15%	0.154	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.2	174	65.5	0	0	0	0	113	W354 F355 F401	W354-S386 CarbonylContact C-O 3.2Å; W354-S386 WeakPolarHBondContact CA-O 3.4Å; F355-S386 PolarHBondContact N-O 3.03Å; F355-S386 PolarHBondContact O-N 2.89Å; S386-F401 CarbonylContact C-O 3.51Å; S386-F401 WeakPolarHBondContact CA-O 3.3Å; S386-F401 WeakPolarHBondContact CB-O 3.4Å
387	L	96.6	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.1	165	174.8	63.6	0	0	0	108.5	A341 Y343 F352 W354 K368 V389 I400 F401	A341-L387 HydrophobicContact CB-CB 4.41Å; A341-L387 HydrophobicContact CB-CD2 3.38Å; Y343-L387 HydrophobicContact CE1-CD2 4.13Å; F352-L387 HydrophobicContact CB-CD1 4.07Å; F352-L387 HydrophobicContact CD2-CD1 4.41Å; W354-L387 HydrophobicContact CD2-CB 3.99Å; W354-L387 HydrophobicContact CD2-CD1 4.06Å; W354-L387 HydrophobicContact CE3-CB 4.03Å; W354-L387 HydrophobicContact CG-CD1 4.06Å; W354-L387 HydrophobicContact CH2-CB 3.98Å; W354-L387 HydrophobicContact CZ2-CB 3.92Å; W354-L387 HydrophobicContact CZ2-CD1 4.38Å; W354-L387 HydrophobicContact CZ2-CD2 4.02Å; W354-L387 HydrophobicContact CZ2-CG 4.32Å; W354-L387 HydrophobicContact CZ3-CB 4.03Å; K368-L387 WeakPolarHBondContact O-CD2 3.08Å; L387-V389 HydrophobicContact CD1-CG2 4.41Å; L387-V389 HydrophobicContact CD2-CG2 3.99Å; L387-V389 HydrophobicContact CG-CG2 3.92Å; L387-I400 WeakPolarHBondContact O-CA 3.33Å; L387-F401 HydrophobicContact CB-CB 4.23Å; L387-F401 HydrophobicContact CB-CD2 4.44Å; L387-F401 HydrophobicContact CD2-CD2 4.25Å; L387-F401 PolarHBondContact N-O 2.87Å; L387-F401 PolarHBondContact O-N 3.31Å
388	V	95.7	Very high	93	Very high	28 Å²	28	55.9 Å²	55.9	17%	0.17	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.1	171.5	-176.9	0	0	0	0	108.4	F352 H353 F355 L399 I400	F352-V388 VanDerWaalsContact CA-O 3.31Å; F352-V388 WeakPolarHBondContact CA-O 3.11Å; H353-V388 PolarHBondContact N-O 2.98Å; H353-V388 PolarHBondContact O-N 3.22Å; F355-V388 HydrophobicContact CD2-CG2 3.92Å; F355-V388 HydrophobicContact CE2-CB 3.98Å; F355-V388 HydrophobicContact CE2-CG2 3.69Å; V388-L399 WeakPolarHBondContact CA-O 3.32Å; V388-I400 HydrophobicContact CG1-CG1 4.45Å; V388-I400 HydrophobicContact CG2-CG1 4.36Å; V388-I400 HydrophobicContact CG2-CG2 4.38Å
389	V	95.5	Very high	93.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.9	172.1	-171.9	0	0	0	0	107.3	L316 Y343 E351 F352 L387 R398 L399	L316-V389 HydrophobicContact CD1-CB 4.31Å; L316-V389 HydrophobicContact CD1-CG1 3.95Å; L316-V389 HydrophobicContact CD2-CG1 3.83Å; Y343-V389 HydrophobicContact CD1-CG2 4.15Å; Y343-V389 HydrophobicContact CD2-CG1 4.35Å; Y343-V389 HydrophobicContact CE1-CG2 3.58Å; Y343-V389 HydrophobicContact CE2-CB 4.45Å; Y343-V389 HydrophobicContact CE2-CG1 3.66Å; Y343-V389 HydrophobicContact CE2-CG2 4.15Å; E351-V389 WeakPolarHBondContact O-CA 3.36Å; F352-V389 HydrophobicContact CB-CG2 4.36Å; L387-V389 HydrophobicContact CD1-CG2 4.41Å; L387-V389 HydrophobicContact CD2-CG2 3.99Å; L387-V389 HydrophobicContact CG-CG2 3.92Å; V389-R398 CarbonylContact O-C 3.53Å; V389-R398 WeakPolarHBondContact O-CA 2.93Å; V389-R398 WeakPolarHBondContact O-CB 3.21Å; V389-L399 PolarHBondContact N-O 2.88Å; V389-L399 PolarHBondContact O-N 2.89Å
390	K	94.4	Very high	93.6	Very high	76 Å²	76	53 Å²	53	33%	0.33	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.4	-179.3	49.9	167.4	158.5	147.6	0	111.7	Y350 E351 R398	Y350-K390 WeakPolarHBondContact CA-O 3.34Å; Y350-K390 WeakPolarHBondContact CD1-O 3.43Å; E351-K390 HydrophobicContact CG-CD 4.19Å; E351-K390 HydrophobicContact CG-CG 3.67Å; E351-K390 PolarHBondContact N-O 3.02Å; E351-K390 PolarHBondContact O-N 3.34Å; E351-K390 WeakPolarHBondContact OE1-CD 3.34Å; E351-K390 WeakPolarHBondContact OE1-CE 3.18Å; E351-K390 IonicContact OE1-NZ 3.1Å; E351-K390 PolarHBondContact OE1-NZ 3.02Å; K390-R398 HydrophobicContact CB-CB 4.07Å
391	S	93.5	Very high	93.9	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.8	168.6	-178.8	0	0	0	0	110.1	Y350 E393 D394 D397	Y350-S391 VanDerWaalsContact CD1-CA 3.49Å; Y350-S391 VanDerWaalsContact CE1-CB 3.44Å; S391-E393 PolarHBondContact OG-N 2.92Å; S391-E393 VanDerWaalsContact OG-N 3.08Å; S391-D394 WeakPolarHBondContact CB-O 3.49Å; S391-D394 PolarHBondContact OG-N 3.34Å; S391-D394 VanDerWaalsContact OG-N 3.09Å; S391-D397 PolarHBondContact N-O 2.88Å
392	N	91.3	Very high	94.1	Very high	76 Å²	76	51.1 Å²	51.1	41%	0.406	27%	0.27	S	S	.	.	S	Bend	trans	-76.5	-14.3	170	-69.6	-18	0	0	0	112.2	D349 E351	D349-N392 HydrophobicContact CB-CB 4.33Å; D349-N392 PolarHBondContact O-N 2.99Å; D349-N392 PolarHBondContact OD2-ND2 2.79Å; E351-N392 WeakPolarHBondContact CG-OD1 3.45Å
393	E	89.1	Confident	94.2	Very high	159 Å²	159	49.4 Å²	49.4	74%	0.743	26%	0.257	S	S	*	.	S	Bend	trans	-104.2	-43.1	-176.1	-60.9	-179.2	-177.7	0	0	112.6	S391	S391-E393 PolarHBondContact OG-N 2.92Å; S391-E393 VanDerWaalsContact OG-N 3.08Å
394	D	88.2	Confident	94.2	Very high	66 Å²	66	52.4 Å²	52.4	35%	0.353	27%	0.27	S	S	.	.			trans	-116.4	96.4	175.4	-179.6	3.9	0	0	0	110.9	S391 S396 D397	S391-D394 WeakPolarHBondContact CB-O 3.49Å; S391-D394 PolarHBondContact OG-N 3.34Å; S391-D394 VanDerWaalsContact OG-N 3.09Å; D394-S396 VanDerWaalsContact CG-OG 3.26Å; D394-S396 PolarHBondContact O-N 2.91Å; D394-S396 VanDerWaalsContact OD1-CB 3.28Å; D394-S396 WeakPolarHBondContact OD1-CB 3.46Å; D394-S396 PolarHBondContact OD1-N 2.86Å; D394-S396 PolarHBondContact OD1-OG 3.33Å; D394-S396 PolarHBondContact OD2-OG 2.8Å; D394-D397 HydrophobicContact CB-CB 4.21Å; D394-D397 PolarHBondContact O-N 2.82Å
395	I	83.8	Confident	94	Very high	141 Å²	141	49.3 Å²	49.3	72%	0.723	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.6	-179.4	-57.5	167.5	0	0	0	112.3
396	S	88.6	Confident	93.9	Very high	82 Å²	82	51.8 Å²	51.8	57%	0.573	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.3	176.8	80.7	0	0	0	0	113.2	D394 R398	D394-S396 VanDerWaalsContact CG-OG 3.26Å; D394-S396 PolarHBondContact O-N 2.91Å; D394-S396 VanDerWaalsContact OD1-CB 3.28Å; D394-S396 WeakPolarHBondContact OD1-CB 3.46Å; D394-S396 PolarHBondContact OD1-N 2.86Å; D394-S396 PolarHBondContact OD1-OG 3.33Å; D394-S396 PolarHBondContact OD2-OG 2.8Å; S396-R398 PolarHBondContact O-N 2.98Å; S396-R398 VanDerWaalsContact O-N 3.16Å
397	D	93.5	Very high	93.7	Very high	10 Å²	10	51 Å²	51	5%	0.053	26%	0.257	C	S	.	.			trans	-83.3	88	174.6	-168.3	29.4	0	0	0	109.9	L316 Y350 S391 D394	L316-D397 WeakPolarHBondContact CB-OD1 3.22Å; L316-D397 WeakPolarHBondContact CD1-O 3.32Å; L316-D397 PolarHBondContact N-OD1 2.55Å; L316-D397 PolarHBondContact N-OD2 2.82Å; Y350-D397 WeakPolarHBondContact CE1-OD2 3.24Å; Y350-D397 PolarHBondContact OH-OD2 2.81Å; S391-D397 PolarHBondContact N-O 2.88Å; D394-D397 HydrophobicContact CB-CB 4.21Å; D394-D397 PolarHBondContact O-N 2.82Å
398	R	94.7	Very high	93.4	Very high	157 Å²	157	51.1 Å²	51.1	59%	0.592	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.3	-180	69.8	-179.1	-170.8	175.6	2.7	112.3	V389 K390 S396	V389-R398 CarbonylContact O-C 3.53Å; V389-R398 WeakPolarHBondContact O-CA 2.93Å; V389-R398 WeakPolarHBondContact O-CB 3.21Å; K390-R398 HydrophobicContact CB-CB 4.07Å; S396-R398 PolarHBondContact O-N 2.98Å; S396-R398 VanDerWaalsContact O-N 3.16Å
399	L	96.8	Very high	93.1	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.4	167.4	-65	177.4	0	0	0	109.8	L316 P318 L322 Y343 V388 V389 F401	L316-L399 HydrophobicContact CB-CD1 3.7Å; L316-L399 HydrophobicContact CB-CD2 4.47Å; L316-L399 HydrophobicContact CB-CG 3.68Å; L316-L399 HydrophobicContact CD1-CG 4.31Å; P318-L399 HydrophobicContact CB-CD1 4.22Å; P318-L399 HydrophobicContact CG-CD2 4.32Å; L322-L399 HydrophobicContact CD2-CD2 4.33Å; Y343-L399 HydrophobicContact CG-CD1 4.36Å; V388-L399 WeakPolarHBondContact CA-O 3.32Å; V389-L399 PolarHBondContact N-O 2.88Å; V389-L399 PolarHBondContact O-N 2.89Å; L399-F401 HydrophobicContact CB-CD2 4.45Å; L399-F401 HydrophobicContact CB-CE2 3.9Å; L399-F401 HydrophobicContact CD1-CE2 4.09Å; L399-F401 HydrophobicContact CD1-CZ 4.21Å
400	I	96.8	Very high	92.8	Very high	67 Å²	67	51.6 Å²	51.6	34%	0.344	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.3	174.4	-54.8	177.1	0	0	0	106.9	L387 V388	L387-I400 WeakPolarHBondContact O-CA 3.33Å; V388-I400 HydrophobicContact CG1-CG1 4.45Å; V388-I400 HydrophobicContact CG2-CG1 4.36Å; V388-I400 HydrophobicContact CG2-CG2 4.38Å
401	F	97.9	Very high	92.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131	170	-62.7	-96.8	0	0	0	108.1	P318 T320 T321 L322 A341 Y343 S386 L387 L399 Y403	P318-F401 HydrophobicContact CB-CE1 4.09Å; P318-F401 HydrophobicContact CB-CZ 3.88Å; T320-F401 WeakPolarHBondContact OG1-CE1 3.38Å; T321-F401 WeakPolarHBondContact O-CD1 3.37Å; L322-F401 HydrophobicContact CD2-CD1 3.95Å; L322-F401 HydrophobicContact CD2-CD2 4.44Å; L322-F401 HydrophobicContact CD2-CE1 3.79Å; L322-F401 HydrophobicContact CD2-CE2 4.31Å; L322-F401 HydrophobicContact CD2-CG 4.26Å; L322-F401 HydrophobicContact CD2-CZ 3.97Å; L322-F401 CarbonylContact O-C 3.57Å; L322-F401 WeakPolarHBondContact O-CA 3.36Å; A341-F401 HydrophobicContact CB-CB 4.11Å; A341-F401 HydrophobicContact CB-CD1 3.91Å; A341-F401 HydrophobicContact CB-CD2 3.85Å; A341-F401 HydrophobicContact CB-CE1 4.3Å; A341-F401 HydrophobicContact CB-CE2 4.25Å; A341-F401 HydrophobicContact CB-CG 3.68Å; A341-F401 HydrophobicContact CB-CZ 4.46Å; Y343-F401 AromaticContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CZ 4.28Å; Y343-F401 HydrophobicContact CG-CE2 4.41Å; S386-F401 CarbonylContact C-O 3.51Å; S386-F401 WeakPolarHBondContact CA-O 3.3Å; S386-F401 WeakPolarHBondContact CB-O 3.4Å; L387-F401 HydrophobicContact CB-CB 4.23Å; L387-F401 HydrophobicContact CB-CD2 4.44Å; L387-F401 HydrophobicContact CD2-CD2 4.25Å; L387-F401 PolarHBondContact N-O 2.87Å; L387-F401 PolarHBondContact O-N 3.31Å; L399-F401 HydrophobicContact CB-CD2 4.45Å; L399-F401 HydrophobicContact CB-CE2 3.9Å; L399-F401 HydrophobicContact CD1-CE2 4.09Å; L399-F401 HydrophobicContact CD1-CZ 4.21Å; F401-Y403 HydrophobicContact CB-CE2 3.83Å
402	T	97.6	Very high	92.7	Very high	45 Å²	45	51.1 Å²	51.1	28%	0.276	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.7	-176.7	-50.8	0	0	0	0	109.7	L322 S323 S324 V384 Y385	L322-T402 PolarHBondContact O-N 2.03Å; S323-T402 CarbonylContact C-O 3.54Å; S323-T402 VanDerWaalsContact CA-O 3.3Å; S323-T402 WeakPolarHBondContact CA-O 3.3Å; S324-T402 PolarHBondContact N-O 3.21Å; V384-T402 HydrophobicContact CG1-CG2 3.44Å; V384-T402 VanDerWaalsContact CG1-CG2 3.44Å; Y385-T402 CarbonylContact O-C 3.58Å; Y385-T402 WeakPolarHBondContact O-CA 3.34Å
403	Y	96.1	Very high	92.8	Very high	2 Å²	2	48 Å²	48	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	109.2	-179.8	-51.8	-84.4	0	0	0	108.6	S324 Y326 L339 R340 A341 W354 Y385 F401 V405	S324-Y403 WeakPolarHBondContact O-CA 3.43Å; Y326-Y403 AromaticContact CE2-CD1 3.82Å; Y326-Y403 HydrophobicContact CE2-CD1 3.82Å; L339-Y403 HydrophobicContact CB-CD1 4.43Å; L339-Y403 HydrophobicContact CB-CD2 4.26Å; L339-Y403 HydrophobicContact CB-CE1 4.47Å; L339-Y403 HydrophobicContact CB-CE2 4.34Å; L339-Y403 HydrophobicContact CB-CG 4.31Å; L339-Y403 HydrophobicContact CD1-CD2 4.08Å; L339-Y403 HydrophobicContact CD1-CG 4.08Å; L339-Y403 HydrophobicContact CD2-CD1 4.24Å; L339-Y403 HydrophobicContact CD2-CG 4.17Å; L339-Y403 HydrophobicContact CG-CG 4.43Å; R340-Y403 PolarHBondContact O-OH 2.9Å; A341-Y403 VanDerWaalsContact CA-OH 3.29Å; A341-Y403 WeakPolarHBondContact CA-OH 3.34Å; A341-Y403 WeakPolarHBondContact CB-OH 3.28Å; A341-Y403 PolarHBondContact N-OH 3.45Å; W354-Y403 HydrophobicContact CH2-CD2 4.39Å; W354-Y403 AromaticContact CH2-CE2 3.76Å; W354-Y403 HydrophobicContact CH2-CE2 3.76Å; W354-Y403 AromaticContact CZ3-CD2 3.97Å; W354-Y403 HydrophobicContact CZ3-CD2 3.97Å; W354-Y403 AromaticContact CZ3-CE2 3.75Å; W354-Y403 HydrophobicContact CZ3-CE2 3.75Å; Y385-Y403 PolarHBondContact N-O 3.46Å; Y385-Y403 PolarHBondContact O-N 3.28Å; F401-Y403 HydrophobicContact CB-CE2 3.83Å; Y403-V405 PolarHBondContact O-N 2.76Å
404	D	95.9	Very high	93	Very high	74 Å²	74	44.4 Å²	44.4	40%	0.396	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	104.1	172.8	179.4	17.6	0	0	0	108.9	S324 S325 Y326	S324-D404 PolarHBondContact O-N 2.62Å; S325-D404 CarbonylContact C-O 2.95Å; S325-D404 VanDerWaalsContact CA-O 3.29Å; S325-D404 WeakPolarHBondContact CA-O 3.39Å; S325-D404 PolarHBondContact OG-O 3.41Å; Y326-D404 PolarHBondContact N-O 2.85Å
405	V	94.9	Very high	93.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.3	179.4	-178.8	0	0	0	0	108.4	Y326 I328 L339 L373 V381 S382 G383 Y385 Y403	Y326-V405 HydrophobicContact CD2-CG2 4.34Å; I328-V405 HydrophobicContact CD1-CG1 4.1Å; L339-V405 HydrophobicContact CD2-CG2 4.25Å; L373-V405 HydrophobicContact CD1-CG1 4.45Å; V381-V405 HydrophobicContact CG1-CG1 4.37Å; S382-V405 CarbonylContact C-O 3.42Å; S382-V405 VanDerWaalsContact CA-O 3.25Å; S382-V405 WeakPolarHBondContact CA-O 3.32Å; S382-V405 PolarHBondContact OG-O 3.39Å; S382-V405 VanDerWaalsContact OG-O 3.09Å; G383-V405 PolarHBondContact N-O 2.84Å; G383-V405 PolarHBondContact O-N 2.86Å; Y385-V405 HydrophobicContact CD2-CB 4.06Å; Y385-V405 HydrophobicContact CD2-CG2 3.65Å; Y385-V405 HydrophobicContact CE2-CB 3.96Å; Y385-V405 HydrophobicContact CE2-CG2 3.92Å; Y403-V405 PolarHBondContact O-N 2.76Å
406	K	93.3	Very high	93.6	Very high	58 Å²	58	39.2 Å²	39.2	25%	0.252	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.5	179.2	-166.9	-179	-175	176.3	0	110.2	Y326 V327 I328 V408 W441 Y516	Y326-K406 PolarHBondContact O-N 3.31Å; V327-K406 CarbonylContact C-O 3.59Å; V327-K406 WeakPolarHBondContact CA-O 3.09Å; V327-K406 HydrophobicContact CG2-CB 4.45Å; I328-K406 PolarHBondContact N-O 3.17Å; K406-V408 HydrophobicContact CD-CG1 3.97Å; K406-V408 HydrophobicContact CG-CG1 3.8Å; K406-W441 HydrophobicContact CD-CH2 4.45Å; K406-W441 HydrophobicContact CD-CZ3 4.26Å; K406-W441 VanDerWaalsContact CE-CE3 3.45Å; K406-W441 VanDerWaalsContact CE-CH2 3.42Å; K406-W441 HydrophobicContact CG-CH2 4.13Å; K406-W441 HydrophobicContact CG-CZ3 4.42Å; K406-Y516 WeakPolarHBondContact CE-OH 3.46Å; K406-Y516 PolarHBondContact NZ-OH 3.09Å
407	V	93.1	Very high	93.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.7	173.8	-179.3	0	0	0	0	109.2	I328 K330 I377 D378 V381 S382 W441	I328-V407 CarbonylContact O-C 3.6Å; I328-V407 VanDerWaalsContact O-CA 3.31Å; I328-V407 WeakPolarHBondContact O-CA 3.43Å; K330-V407 HydrophobicContact CB-CG1 3.91Å; K330-V407 HydrophobicContact CG-CG1 4.46Å; I377-V407 HydrophobicContact CG2-CB 4.44Å; I377-V407 HydrophobicContact CG2-CG1 3.82Å; I377-V407 HydrophobicContact CG2-CG2 3.73Å; D378-V407 WeakPolarHBondContact O-CG2 3.01Å; V381-V407 HydrophobicContact CB-CG2 4.1Å; S382-V407 PolarHBondContact OG-N 2.94Å; S382-V407 VanDerWaalsContact OG-N 3.16Å; V407-W441 VanDerWaalsContact O-CZ2 3.28Å; V407-W441 WeakPolarHBondContact O-CZ2 3.12Å
408	V	91.4	Very high	93.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	159.4	-174.3	-58.8	0	0	0	0	111.5	V327 I328 N329 K330 K406 W441 Y516	V327-V408 HydrophobicContact CG1-CB 4.28Å; V327-V408 HydrophobicContact CG1-CG1 3.79Å; V327-V408 HydrophobicContact CG1-CG2 3.45Å; V327-V408 VanDerWaalsContact CG1-CG2 3.45Å; I328-V408 PolarHBondContact O-N 2.94Å; N329-V408 CarbonylContact C-O 3.57Å; N329-V408 VanDerWaalsContact CA-O 3.31Å; N329-V408 WeakPolarHBondContact CA-O 3.3Å; K330-V408 PolarHBondContact N-O 2.87Å; K406-V408 HydrophobicContact CD-CG1 3.97Å; K406-V408 HydrophobicContact CG-CG1 3.8Å; V408-W441 HydrophobicContact CG1-CH2 4.44Å; V408-W441 HydrophobicContact CG1-CZ2 4.13Å; V408-Y516 HydrophobicContact CB-CD1 4.08Å; V408-Y516 HydrophobicContact CB-CD2 3.87Å; V408-Y516 HydrophobicContact CB-CE1 4.39Å; V408-Y516 HydrophobicContact CB-CE2 4.19Å; V408-Y516 HydrophobicContact CB-CG 3.81Å; V408-Y516 HydrophobicContact CG1-CD1 4.15Å; V408-Y516 HydrophobicContact CG1-CD2 3.86Å; V408-Y516 HydrophobicContact CG1-CE1 3.96Å; V408-Y516 HydrophobicContact CG1-CE2 3.64Å; V408-Y516 HydrophobicContact CG1-CG 4.11Å; V408-Y516 HydrophobicContact CG2-CD1 3.86Å; V408-Y516 HydrophobicContact CG2-CE1 4.31Å; V408-Y516 HydrophobicContact CG2-CG 3.98Å
409	S	88.5	Confident	93.6	Very high	17 Å²	17	36.5 Å²	36.5	12%	0.119	18%	0.18	C	C	.	.			trans	-148.2	155.7	170.8	56.5	0	0	0	0	109.5
410	P	89.8	Confident	93.3	Very high	22 Å²	22	39 Å²	39	14%	0.143	19%	0.19	C	C	.	.			trans	-53.4	147.6	163.8	-22.7	33.2	0	0	0	110.2	Q53	Q53-P410 HydrophobicContact CB-CB 4.4Å; Q53-P410 HydrophobicContact CB-CG 4.3Å
411	P	92.3	Very high	92.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.019	20%	0.195	C	C	.	.			trans	-62.3	151.5	172	29.5	-34.2	0	0	0	109.7	T443 L512 G517 S519	P411-T443 HydrophobicContact CB-CG2 3.68Å; P411-T443 HydrophobicContact CG-CG2 4.11Å; P411-L512 HydrophobicContact CB-CB 3.78Å; P411-L512 HydrophobicContact CB-CD1 4.16Å; P411-L512 HydrophobicContact CG-CB 3.69Å; P411-G517 WeakPolarHBondContact CD-O 3.47Å; P411-S519 WeakPolarHBondContact O-CB 3.28Å
412	F	92.5	Very high	92.6	Very high	70 Å²	70	40.3 Å²	40.3	31%	0.307	20%	0.195	S	C	.	.			trans	-146	151.6	-179.1	68.3	-83.5	0	0	0	111.3	T52 F437 D438	T52-F412 HydrophobicContact CG2-CB 3.72Å; F412-F437 WeakPolarHBondContact O-CA 3.36Å; F412-F437 WeakPolarHBondContact O-CB 3.24Å; F412-D438 HydrophobicContact CD1-CB 4.09Å; F412-D438 HydrophobicContact CE1-CB 3.61Å; F412-D438 HydrophobicContact CZ-CB 3.97Å; F412-D438 PolarHBondContact O-N 3.34Å
413	F	94.6	Very high	92.4	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.048	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-79.3	133.7	170.6	-60.5	-83.5	0	0	0	110.1	C435 E436 F437 I510 L512 S519 I521	F413-C435 HydrophobicContact CD1-CB 4Å; F413-C435 HydrophobicContact CE1-CB 4.22Å; F413-E436 WeakPolarHBondContact CA-O 3.33Å; F413-F437 HydrophobicContact CD1-CB 4.25Å; F413-I510 HydrophobicContact CE1-CB 4.32Å; F413-I510 HydrophobicContact CE1-CG2 3.8Å; F413-I510 HydrophobicContact CZ-CB 4.05Å; F413-I510 HydrophobicContact CZ-CG2 3.72Å; F413-L512 HydrophobicContact CD1-CD1 4Å; F413-L512 HydrophobicContact CD1-CG 4.47Å; F413-L512 HydrophobicContact CD2-CD1 4.03Å; F413-L512 HydrophobicContact CE1-CD1 3.84Å; F413-L512 HydrophobicContact CE1-CD2 3.9Å; F413-L512 HydrophobicContact CE1-CG 3.81Å; F413-L512 HydrophobicContact CE2-CD1 3.85Å; F413-L512 HydrophobicContact CE2-CG 3.83Å; F413-L512 HydrophobicContact CG-CD1 4.11Å; F413-L512 HydrophobicContact CZ-CD1 3.77Å; F413-L512 HydrophobicContact CZ-CD2 3.93Å; F413-L512 HydrophobicContact CZ-CG 3.46Å; F413-L512 VanDerWaalsContact CZ-CG 3.46Å; F413-S519 WeakPolarHBondContact CD2-OG 3.25Å; F413-S519 WeakPolarHBondContact CE2-OG 3.09Å; F413-I521 HydrophobicContact CD1-CD1 3.77Å; F413-I521 HydrophobicContact CD1-CG1 4.49Å; F413-I521 HydrophobicContact CD2-CB 4.45Å; F413-I521 HydrophobicContact CD2-CD1 3.9Å; F413-I521 HydrophobicContact CD2-CG1 3.99Å; F413-I521 HydrophobicContact CD2-CG2 3.69Å; F413-I521 HydrophobicContact CE1-CD1 3.71Å; F413-I521 HydrophobicContact CE1-CG1 4.09Å; F413-I521 HydrophobicContact CE2-CB 4.22Å; F413-I521 HydrophobicContact CE2-CD1 3.88Å; F413-I521 HydrophobicContact CE2-CG1 3.56Å; F413-I521 HydrophobicContact CE2-CG2 3.87Å; F413-I521 HydrophobicContact CG-CD1 3.84Å; F413-I521 HydrophobicContact CG-CG1 4.43Å; F413-I521 HydrophobicContact CG-CG2 4.45Å; F413-I521 HydrophobicContact CZ-CD1 3.76Å; F413-I521 HydrophobicContact CZ-CG1 3.59Å
414	K	93.7	Very high	92.4	Very high	83 Å²	83	39.5 Å²	39.5	36%	0.361	19%	0.188	S	C	.	.	S	Bend	trans	-67.2	-39.2	178.7	-64.1	-171.2	-167.1	167	0	112.3	E436 N490	K414-E436 HydrophobicContact CB-CB 4.24Å; K414-E436 HydrophobicContact CD-CB 3.92Å; K414-E436 WeakPolarHBondContact CD-OE2 3.19Å; K414-E436 HydrophobicContact CG-CB 4.24Å; K414-E436 PolarHBondContact N-O 3.2Å; K414-E436 IonicContact NZ-OE2 2.95Å; K414-E436 PolarHBondContact NZ-OE2 3.25Å; K414-N490 WeakPolarHBondContact CE-OD1 3.45Å; K414-N490 PolarHBondContact NZ-OD1 3Å
415	D	93.6	Very high	92.3	Very high	61 Å²	61	36.4 Å²	36.4	33%	0.326	17%	0.171	S	C	.	.			trans	-123.8	102.9	165.3	-170.4	-4.3	0	0	0	109.3	R417 C418	D415-R417 PolarHBondContact O-N 3.36Å; D415-R417 VanDerWaalsContact O-N 3.13Å; D415-R417 VanDerWaalsContact OD1-CB 3.24Å; D415-R417 WeakPolarHBondContact OD1-CB 3.29Å; D415-R417 WeakPolarHBondContact OD1-CG 3.37Å; D415-R417 IonicContact OD1-CZ 2.98Å; D415-R417 PolarHBondContact OD1-N 3.13Å; D415-R417 IonicContact OD1-NE 3.67Å; D415-R417 PolarHBondContact OD1-NE 3.15Å; D415-R417 IonicContact OD1-NH2 3.64Å; D415-R417 IonicContact OD2-CZ 3.65Å; D415-R417 IonicContact OD2-NE 3.89Å; D415-R417 IonicContact OD2-NH2 3.17Å; D415-R417 PolarHBondContact OD2-NH2 2.91Å; D415-C418 WeakPolarHBondContact O-CB 3.44Å; D415-C418 PolarHBondContact O-N 2.85Å; D415-C418 VanDerWaalsContact O-N 3.15Å; D415-C418 PolarHBondContact O-SG 3.05Å
416	P	89.5	Confident	92.2	Very high	37 Å²	37	36.7 Å²	36.7	24%	0.24	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-64.1	-14.4	176.8	25.3	-32.2	0	0	0	112.8	N51 C418 I521	N51-P416 HydrophobicContact CB-CB 4.44Å; P416-C418 PolarHBondContact O-N 2.88Å; P416-I521 HydrophobicContact CB-CG2 4.21Å
417	R	91.1	Very high	92.3	Very high	159 Å²	159	36.6 Å²	36.6	60%	0.6	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-83.7	7.4	176.2	-50.5	170.3	-62	167.6	7.7	113.4	D415 L419 K420	D415-R417 PolarHBondContact O-N 3.36Å; D415-R417 VanDerWaalsContact O-N 3.13Å; D415-R417 VanDerWaalsContact OD1-CB 3.24Å; D415-R417 WeakPolarHBondContact OD1-CB 3.29Å; D415-R417 WeakPolarHBondContact OD1-CG 3.37Å; D415-R417 IonicContact OD1-CZ 2.98Å; D415-R417 PolarHBondContact OD1-N 3.13Å; D415-R417 IonicContact OD1-NE 3.67Å; D415-R417 PolarHBondContact OD1-NE 3.15Å; D415-R417 IonicContact OD1-NH2 3.64Å; D415-R417 IonicContact OD2-CZ 3.65Å; D415-R417 IonicContact OD2-NE 3.89Å; D415-R417 IonicContact OD2-NH2 3.17Å; D415-R417 PolarHBondContact OD2-NH2 2.91Å; R417-L419 PolarHBondContact O-N 2.68Å; R417-K420 WeakPolarHBondContact O-CD 3.37Å; R417-K420 WeakPolarHBondContact O-CE 3.45Å; R417-K420 PolarHBondContact O-NZ 2.88Å
418	C	94.2	Very high	92.1	Very high	26 Å²	26	38.2 Å²	38.2	18%	0.176	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.4	-32	170	64.9	0	0	0	0	111.3	D415 P416 T433 V434 C435 I521	D415-C418 WeakPolarHBondContact O-CB 3.44Å; D415-C418 PolarHBondContact O-N 2.85Å; D415-C418 VanDerWaalsContact O-N 3.15Å; D415-C418 PolarHBondContact O-SG 3.05Å; P416-C418 PolarHBondContact O-N 2.88Å; C418-T433 PolarHBondContact O-OG1 3.5Å; C418-V434 WeakPolarHBondContact CB-O 2.86Å; C418-C435 HydrophobicContact CB-CB 3.85Å; C418-C435 WeakPolarHBondContact CB-SG 3.23Å; C418-C435 WeakPolarHBondContact SG-CB 3.48Å; C418-C435 CovalentContact SG-SG 2.03Å; C418-C435 PolarHBondContact SG-SG 2.76Å; C418-I521 WeakPolarHBondContact SG-CD1 3.4Å
419	L	92.3	Very high	92.2	Very high	7 Å²	7	41 Å²	41	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-99.9	117.9	160	-70.6	-176.9	0	0	0	108.7	R417 F431 T433 L508 I510 I521 T523	R417-L419 PolarHBondContact O-N 2.68Å; L419-F431 HydrophobicContact CD2-CZ 4.3Å; L419-T433 HydrophobicContact CD2-CG2 3.65Å; L419-L508 HydrophobicContact CD2-CD2 4.2Å; L419-I510 HydrophobicContact CD1-CB 4.37Å; L419-I510 HydrophobicContact CD1-CD1 3.89Å; L419-I510 HydrophobicContact CD1-CG1 3.88Å; L419-I510 HydrophobicContact CD2-CD1 4.49Å; L419-I510 HydrophobicContact CG-CD1 4.24Å; L419-I521 HydrophobicContact CB-CD1 4.14Å; L419-I521 HydrophobicContact CD1-CB 4.45Å; L419-I521 HydrophobicContact CD1-CD1 3.9Å; L419-I521 HydrophobicContact CD1-CG1 3.75Å; L419-I521 HydrophobicContact CG-CD1 3.97Å; L419-I521 HydrophobicContact CG-CG1 4.35Å; L419-T523 HydrophobicContact CD2-CG2 3.84Å
420	K	90	Very high	92.4	Very high	70 Å²	70	44.3 Å²	44.3	30%	0.304	22%	0.222	S	C	.	.			trans	-76.9	148	173.6	-55.7	-59.7	-175.3	-158.3	0	109.3	R417 L422 F423 T523 E700	R417-K420 WeakPolarHBondContact O-CD 3.37Å; R417-K420 WeakPolarHBondContact O-CE 3.45Å; R417-K420 PolarHBondContact O-NZ 2.88Å; K420-L422 VanDerWaalsContact C-N 3.3Å; K420-L422 PolarHBondContact O-N 3.17Å; K420-F423 HydrophobicContact CB-CD2 4.28Å; K420-F423 HydrophobicContact CG-CD2 4.23Å; K420-T523 WeakPolarHBondContact O-CA 3.37Å; K420-T523 WeakPolarHBondContact O-CB 3.17Å; K420-T523 PolarHBondContact O-OG1 2.56Å; K420-E700 HydrophobicContact CB-CB 4.05Å; K420-E700 HydrophobicContact CB-CG 4.01Å; K420-E700 HydrophobicContact CD-CG 4.04Å; K420-E700 HydrophobicContact CG-CB 3.85Å; K420-E700 HydrophobicContact CG-CG 3.8Å
421	E	88.8	Confident	92.7	Very high	92 Å²	92	43.6 Å²	43.6	43%	0.43	22%	0.217	S	C	.	.	S	Bend	trans	-60.7	-40.4	-175.5	-63.8	166.8	161.6	0	0	112.6	K22 S524	K22-E421 VanDerWaalsContact CD-CD 3.46Å; K22-E421 HydrophobicContact CD-CG 4.35Å; K22-E421 VanDerWaalsContact CD-OE2 3.24Å; K22-E421 WeakPolarHBondContact CD-OE2 3.12Å; K22-E421 WeakPolarHBondContact CE-OE1 3.47Å; K22-E421 WeakPolarHBondContact CE-OE2 3.23Å; K22-E421 IonicContact NZ-OE1 3.09Å; K22-E421 PolarHBondContact NZ-OE1 3.03Å; K22-E421 IonicContact NZ-OE2 3.78Å; K22-E421 PolarHBondContact NZ-OE2 2.85Å; E421-S524 PolarHBondContact O-N 2.87Å
422	L	91.9	Very high	92.8	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.6	174.2	177.9	64.7	0	0	0	109.2	Y20 K420 Y424 K526 A699 E700	Y20-L422 HydrophobicContact CD1-CB 4.28Å; Y20-L422 HydrophobicContact CD1-CD1 4.03Å; Y20-L422 HydrophobicContact CD1-CD2 3.55Å; Y20-L422 HydrophobicContact CD1-CG 4.18Å; Y20-L422 HydrophobicContact CD2-CB 4.42Å; Y20-L422 HydrophobicContact CE1-CB 4.26Å; Y20-L422 HydrophobicContact CE1-CD2 3.56Å; Y20-L422 HydrophobicContact CE1-CG 4.4Å; Y20-L422 HydrophobicContact CE2-CB 4.47Å; Y20-L422 HydrophobicContact CG-CB 4.35Å; Y20-L422 HydrophobicContact CG-CD1 4.08Å; Y20-L422 HydrophobicContact CG-CD2 4.33Å; K420-L422 VanDerWaalsContact C-N 3.3Å; K420-L422 PolarHBondContact O-N 3.17Å; L422-Y424 HydrophobicContact CD1-CD1 4.29Å; L422-Y424 HydrophobicContact CD1-CE1 3.85Å; L422-Y424 HydrophobicContact CD2-CE1 3.75Å; L422-Y424 HydrophobicContact CG-CD1 4.27Å; L422-Y424 HydrophobicContact CG-CE1 3.85Å; L422-K526 HydrophobicContact CD1-CG 3.81Å; L422-A699 HydrophobicContact CD2-CB 3.54Å; L422-A699 HydrophobicContact CG-CB 3.88Å; L422-E700 PolarHBondContact O-N 3.29Å
423	F	94	Very high	93	Very high	25 Å²	25	42.4 Å²	42.4	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.8	177.7	-157.2	-83.7	0	0	0	111.2	K420 V425 F431 S524 L525 K526 E700 E702	K420-F423 HydrophobicContact CB-CD2 4.28Å; K420-F423 HydrophobicContact CG-CD2 4.23Å; F423-V425 HydrophobicContact CD1-CG2 3.65Å; F423-V425 HydrophobicContact CE1-CG2 3.84Å; F423-F431 HydrophobicContact CB-CE2 4.26Å; F423-F431 AromaticContact CD1-CD2 3.55Å; F423-F431 HydrophobicContact CD1-CD2 3.55Å; F423-F431 AromaticContact CD1-CE2 3.62Å; F423-F431 HydrophobicContact CD1-CE2 3.62Å; F423-F431 HydrophobicContact CD2-CE2 4.03Å; F423-F431 AromaticContact CE1-CD2 3.61Å; F423-F431 HydrophobicContact CE1-CD2 3.61Å; F423-F431 AromaticContact CE1-CE2 3.88Å; F423-F431 HydrophobicContact CE1-CE2 3.88Å; F423-F431 HydrophobicContact CE2-CE2 4.26Å; F423-F431 HydrophobicContact CG-CD2 4.13Å; F423-F431 AromaticContact CG-CE2 3.69Å; F423-F431 HydrophobicContact CG-CE2 3.69Å; F423-F431 HydrophobicContact CZ-CD2 4.22Å; F423-F431 HydrophobicContact CZ-CE2 4.18Å; F423-S524 PolarHBondContact N-O 3.2Å; F423-L525 HydrophobicContact CB-CD1 4.18Å; F423-L525 HydrophobicContact CD1-CD1 4.1Å; F423-K526 PolarHBondContact O-N 2.84Å; F423-E700 CarbonylContact C-O 3.56Å; F423-E700 VanDerWaalsContact CA-O 3.31Å; F423-E700 WeakPolarHBondContact CA-O 3.26Å; F423-E700 HydrophobicContact CD2-CB 3.96Å; F423-E700 HydrophobicContact CE2-CB 4.23Å; F423-E702 HydrophobicContact CZ-CG 4.05Å
424	Y	94.9	Very high	93.1	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.1	174.8	-68.6	-11.4	0	0	0	110.6	L422 K526 V528 F569 I571 V694 A699 E700 F701 I729	L422-Y424 HydrophobicContact CD1-CD1 4.29Å; L422-Y424 HydrophobicContact CD1-CE1 3.85Å; L422-Y424 HydrophobicContact CD2-CE1 3.75Å; L422-Y424 HydrophobicContact CG-CD1 4.27Å; L422-Y424 HydrophobicContact CG-CE1 3.85Å; Y424-K526 WeakPolarHBondContact CA-O 3.46Å; Y424-K526 HydrophobicContact CD1-CB 3.87Å; Y424-K526 HydrophobicContact CD1-CG 4.38Å; Y424-K526 HydrophobicContact CE1-CB 4.07Å; Y424-K526 HydrophobicContact CE1-CG 4.21Å; Y424-V528 HydrophobicContact CD1-CG2 4.48Å; Y424-V528 HydrophobicContact CD2-CG2 4.22Å; Y424-V528 HydrophobicContact CG-CG2 3.94Å; Y424-F569 HydrophobicContact CD1-CD1 4.34Å; Y424-F569 AromaticContact CE1-CD1 3.96Å; Y424-F569 HydrophobicContact CE1-CD1 3.96Å; Y424-F569 HydrophobicContact CE2-CB 4.12Å; Y424-F569 HydrophobicContact CE2-CD1 4.44Å; Y424-F569 WeakPolarHBondContact CE2-O 3.45Å; Y424-F569 WeakPolarHBondContact OH-CA 3.48Å; Y424-F569 PolarHBondContact OH-O 2.86Å; Y424-I571 HydrophobicContact CD2-CD1 4.25Å; Y424-I571 HydrophobicContact CE2-CD1 4.36Å; Y424-I571 HydrophobicContact CE2-CG1 4.48Å; Y424-V694 HydrophobicContact CD2-CG1 4.41Å; Y424-V694 HydrophobicContact CD2-CG2 4.06Å; Y424-V694 HydrophobicContact CE2-CG1 4.08Å; Y424-V694 HydrophobicContact CE2-CG2 4.4Å; Y424-A699 HydrophobicContact CD1-CB 4.05Å; Y424-A699 HydrophobicContact CD2-CB 3.57Å; Y424-A699 HydrophobicContact CE1-CB 3.85Å; Y424-A699 HydrophobicContact CE2-CB 3.32Å; Y424-A699 HydrophobicContact CG-CB 3.93Å; Y424-A699 VanDerWaalsContact CZ-CB 3.47Å; Y424-E700 PolarHBondContact N-O 2.86Å; Y424-F701 VanDerWaalsContact O-CB 3.31Å; Y424-F701 WeakPolarHBondContact O-CB 3.4Å; Y424-I729 VanDerWaalsContact CB-CD1 3.47Å; Y424-I729 HydrophobicContact CD2-CD1 4.19Å; Y424-I729 HydrophobicContact CG-CD1 4.36Å
425	V	94	Very high	93.2	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.1	174.3	-171.6	0	0	0	0	108.3	F423 N429 F431 L500 L525 K526 V527 V528	F423-V425 HydrophobicContact CD1-CG2 3.65Å; F423-V425 HydrophobicContact CE1-CG2 3.84Å; V425-N429 HydrophobicContact CG1-CB 3.79Å; V425-F431 HydrophobicContact CG2-CB 4.1Å; V425-F431 HydrophobicContact CG2-CD2 4.22Å; V425-L500 HydrophobicContact CB-CD1 3.97Å; V425-L500 HydrophobicContact CG1-CD1 3.78Å; V425-L500 HydrophobicContact CG2-CD1 3.99Å; V425-L525 HydrophobicContact CG2-CD1 3.52Å; V425-L525 HydrophobicContact CG2-CG 4.45Å; V425-K526 PolarHBondContact N-O 2.91Å; V425-V527 CarbonylContact O-C 3.48Å; V425-V527 WeakPolarHBondContact O-CA 3.47Å; V425-V528 PolarHBondContact O-N 3Å
426	M	93.9	Very high	93.4	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	139.6	171.7	-65.7	-58.7	-57.5	0	0	109.8	G428 N429 V528 P529 K530 L692 I729 Y730	M426-G428 PolarHBondContact O-N 3.07Å; M426-N429 VanDerWaalsContact O-CB 3.28Å; M426-N429 WeakPolarHBondContact O-CB 3.47Å; M426-N429 PolarHBondContact O-N 2.69Å; M426-V528 CarbonylContact C-O 3.57Å; M426-V528 HydrophobicContact CE-CG1 4.2Å; M426-V528 HydrophobicContact SD-CB 3.82Å; M426-V528 HydrophobicContact SD-CG1 3.71Å; M426-P529 WeakPolarHBondContact CE-O 3.22Å; M426-K530 HydrophobicContact CE-CG 4.27Å; M426-L692 HydrophobicContact CE-CD1 4.02Å; M426-L692 HydrophobicContact SD-CD1 4.42Å; M426-I729 HydrophobicContact CG-CG1 4.25Å; M426-I729 HydrophobicContact SD-CD1 4.32Å; M426-I729 HydrophobicContact SD-CG1 4.16Å; M426-I729 HydrophobicContact SD-CG2 4.49Å; M426-Y730 HydrophobicContact CE-CD2 3.79Å; M426-Y730 HydrophobicContact CE-CG 4.11Å; M426-Y730 HydrophobicContact CG-CD2 4.41Å
427	E	93.7	Very high	93.6	Very high	55 Å²	55	41.4 Å²	41.4	26%	0.257	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	136.7	173.6	174.2	-175.6	-156.8	0	0	111.1	N429 L502 V527 V528 K530	E427-N429 PolarHBondContact O-N 2.77Å; E427-L502 HydrophobicContact CB-CD2 4.45Å; E427-L502 HydrophobicContact CG-CG 4.22Å; E427-L502 WeakPolarHBondContact OE1-CG 3.39Å; E427-V527 HydrophobicContact CB-CG1 4.08Å; E427-V528 PolarHBondContact N-O 2.89Å; E427-K530 HydrophobicContact CB-CG 4.25Å; E427-K530 WeakPolarHBondContact O-CE 3.15Å; E427-K530 PolarHBondContact OE2-N 2.76Å
428	G	90.6	Very high	93.6	Very high	40 Å²	40	34.3 Å²	34.3	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-17.6	-177.2	0	0	0	0	0	114.9	M426 L500	M426-G428 PolarHBondContact O-N 3.07Å; G428-L500 PolarHBondContact N-O 2.79Å
429	N	92.4	Very high	93.1	Very high	61 Å²	61	33 Å²	33	33%	0.326	18%	0.184	S	C	.	.			trans	-79.1	169.8	178	-68.4	2.7	0	0	0	111.9	V425 M426 E427 L500	V425-N429 HydrophobicContact CG1-CB 3.79Å; M426-N429 VanDerWaalsContact O-CB 3.28Å; M426-N429 WeakPolarHBondContact O-CB 3.47Å; M426-N429 PolarHBondContact O-N 2.69Å; E427-N429 PolarHBondContact O-N 2.77Å; N429-L500 PolarHBondContact O-N 2.02Å
430	N	93.5	Very high	92.9	Very high	85 Å²	85	34.7 Å²	34.7	46%	0.455	19%	0.19	S	C	.	.			trans	-98.5	158.9	176.8	-56.6	-30	0	0	0	110	I497 T498 K499	N430-I497 CarbonylContact C-O 3.34Å; N430-I497 VanDerWaalsContact CA-O 3.3Å; N430-I497 WeakPolarHBondContact CA-O 2.99Å; N430-T498 VanDerWaalsContact OD1-CA 3.26Å; N430-T498 WeakPolarHBondContact OD1-CA 3.27Å; N430-K499 PolarHBondContact OD1-N 3.34Å
431	F	95	Very high	92.7	Very high	7 Å²	7	34 Å²	34	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.9	166.8	172.9	-100.2	0	0	0	108.8	L419 F423 V425 T433 N496 I497 L500 L508 T523 L525	L419-F431 HydrophobicContact CD2-CZ 4.3Å; F423-F431 HydrophobicContact CB-CE2 4.26Å; F423-F431 AromaticContact CD1-CD2 3.55Å; F423-F431 HydrophobicContact CD1-CD2 3.55Å; F423-F431 AromaticContact CD1-CE2 3.62Å; F423-F431 HydrophobicContact CD1-CE2 3.62Å; F423-F431 HydrophobicContact CD2-CE2 4.03Å; F423-F431 AromaticContact CE1-CD2 3.61Å; F423-F431 HydrophobicContact CE1-CD2 3.61Å; F423-F431 AromaticContact CE1-CE2 3.88Å; F423-F431 HydrophobicContact CE1-CE2 3.88Å; F423-F431 HydrophobicContact CE2-CE2 4.26Å; F423-F431 HydrophobicContact CG-CD2 4.13Å; F423-F431 AromaticContact CG-CE2 3.69Å; F423-F431 HydrophobicContact CG-CE2 3.69Å; F423-F431 HydrophobicContact CZ-CD2 4.22Å; F423-F431 HydrophobicContact CZ-CE2 4.18Å; V425-F431 HydrophobicContact CG2-CB 4.1Å; V425-F431 HydrophobicContact CG2-CD2 4.22Å; F431-T433 HydrophobicContact CE1-CG2 4.11Å; F431-T433 HydrophobicContact CZ-CG2 4.32Å; F431-N496 CarbonylContact O-C 3.56Å; F431-N496 WeakPolarHBondContact O-CA 3.16Å; F431-I497 HydrophobicContact CB-CB 4.39Å; F431-I497 HydrophobicContact CD1-CD1 4.13Å; F431-I497 HydrophobicContact CD1-CG1 4.43Å; F431-I497 PolarHBondContact N-O 3.3Å; F431-I497 PolarHBondContact O-N 2.78Å; F431-L500 HydrophobicContact CB-CD1 3.9Å; F431-L508 HydrophobicContact CD1-CD2 4.22Å; F431-L508 HydrophobicContact CE1-CD2 3.5Å; F431-L508 HydrophobicContact CZ-CD2 4.33Å; F431-T523 HydrophobicContact CZ-CG2 4.48Å; F431-L525 HydrophobicContact CB-CD1 4.32Å; F431-L525 HydrophobicContact CD1-CD1 4.44Å; F431-L525 HydrophobicContact CD2-CD1 3.78Å; F431-L525 HydrophobicContact CE2-CD1 4.18Å; F431-L525 HydrophobicContact CG-CD1 3.91Å; F431-L525 HydrophobicContact CG-CD2 4.47Å
432	G	95	Very high	92.6	Very high	33 Å²	33	36.6 Å²	36.6	34%	0.34	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140	177.4	0	0	0	0	0	111.4	V495 N496	G432-V495 CarbonylContact C-O 3.49Å; G432-V495 WeakPolarHBondContact CA-O 3.18Å; G432-N496 WeakPolarHBondContact CA-OD1 3.28Å
433	T	96	Very high	92.7	Very high	15 Å²	15	37 Å²	37	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.3	170.7	-173.8	0	0	0	0	111.3	C418 L419 F431 T494 V495	C418-T433 PolarHBondContact O-OG1 3.5Å; L419-T433 HydrophobicContact CD2-CG2 3.65Å; F431-T433 HydrophobicContact CE1-CG2 4.11Å; F431-T433 HydrophobicContact CZ-CG2 4.32Å; T433-T494 WeakPolarHBondContact O-CA 3.39Å; T433-V495 HydrophobicContact CG2-CB 3.95Å; T433-V495 HydrophobicContact CG2-CG2 4.42Å; T433-V495 PolarHBondContact N-O 2.92Å; T433-V495 PolarHBondContact O-N 3.04Å
434	V	96.5	Very high	92.7	Very high	77 Å²	77	38.6 Å²	38.6	47%	0.467	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.9	171.9	-176.5	0	0	0	0	107.9	C418 R492 I493 T494	C418-V434 WeakPolarHBondContact CB-O 2.86Å; V434-R492 HydrophobicContact CG1-CB 4.1Å; V434-R492 HydrophobicContact CG1-CG 4.45Å; V434-I493 WeakPolarHBondContact CA-O 3.44Å; V434-T494 HydrophobicContact CG2-CG2 4.12Å
435	C	96.9	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.6	176.3	-65.9	0	0	0	0	109.9	F413 C418 R492 I493	F413-C435 HydrophobicContact CD1-CB 4Å; F413-C435 HydrophobicContact CE1-CB 4.22Å; C418-C435 HydrophobicContact CB-CB 3.85Å; C418-C435 WeakPolarHBondContact CB-SG 3.23Å; C418-C435 WeakPolarHBondContact SG-CB 3.48Å; C418-C435 CovalentContact SG-SG 2.03Å; C418-C435 PolarHBondContact SG-SG 2.76Å; C435-R492 CarbonylContact O-C 3.57Å; C435-R492 VanDerWaalsContact O-CA 3.28Å; C435-R492 WeakPolarHBondContact O-CA 3.39Å; C435-I493 HydrophobicContact CB-CG2 3.74Å; C435-I493 PolarHBondContact N-O 2.85Å; C435-I493 WeakPolarHBondContact O-CG2 3.25Å; C435-I493 PolarHBondContact O-N 2.96Å
436	E	96.4	Very high	92.9	Very high	95 Å²	95	41.2 Å²	41.2	44%	0.444	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143	170.6	-66	-169.8	-168.1	0	0	111.3	F413 K414 K491 R492	F413-E436 WeakPolarHBondContact CA-O 3.33Å; K414-E436 HydrophobicContact CB-CB 4.24Å; K414-E436 HydrophobicContact CD-CB 3.92Å; K414-E436 WeakPolarHBondContact CD-OE2 3.19Å; K414-E436 HydrophobicContact CG-CB 4.24Å; K414-E436 PolarHBondContact N-O 3.2Å; K414-E436 IonicContact NZ-OE2 2.95Å; K414-E436 PolarHBondContact NZ-OE2 3.25Å; E436-K491 WeakPolarHBondContact CA-O 3.34Å; E436-R492 HydrophobicContact CG-CB 4.27Å
437	F	95.3	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.8	-179.3	65	-85.8	0	0	0	112.5	F412 F413 G439 T443 V445 V484 K491 I493 L512	F412-F437 WeakPolarHBondContact O-CA 3.36Å; F412-F437 WeakPolarHBondContact O-CB 3.24Å; F413-F437 HydrophobicContact CD1-CB 4.25Å; F437-G439 PolarHBondContact O-N 3.05Å; F437-T443 HydrophobicContact CD2-CG2 4.34Å; F437-T443 HydrophobicContact CE2-CG2 4.12Å; F437-V445 HydrophobicContact CE1-CG2 3.87Å; F437-V445 HydrophobicContact CE2-CG2 3.93Å; F437-V445 HydrophobicContact CZ-CG2 3.34Å; F437-V484 HydrophobicContact CE1-CG1 4.32Å; F437-V484 HydrophobicContact CZ-CG1 3.86Å; F437-K491 HydrophobicContact CD1-CB 4.28Å; F437-K491 HydrophobicContact CD2-CB 4.14Å; F437-K491 HydrophobicContact CE1-CB 3.76Å; F437-K491 HydrophobicContact CE2-CB 3.61Å; F437-K491 HydrophobicContact CE2-CD 4.03Å; F437-K491 HydrophobicContact CE2-CG 4.38Å; F437-K491 HydrophobicContact CG-CB 4.45Å; F437-K491 HydrophobicContact CZ-CB 3.38Å; F437-K491 HydrophobicContact CZ-CD 4.02Å; F437-K491 HydrophobicContact CZ-CG 4.33Å; F437-K491 PolarHBondContact N-O 2.98Å; F437-K491 PolarHBondContact O-N 2.69Å; F437-I493 HydrophobicContact CD1-CG2 4.18Å; F437-I493 HydrophobicContact CE1-CB 4.14Å; F437-I493 HydrophobicContact CE1-CG2 4.09Å; F437-L512 HydrophobicContact CB-CD1 3.53Å; F437-L512 HydrophobicContact CB-CD2 4.3Å; F437-L512 HydrophobicContact CD1-CD2 4.12Å; F437-L512 HydrophobicContact CD2-CD1 4.04Å; F437-L512 HydrophobicContact CD2-CD2 3.8Å; F437-L512 HydrophobicContact CE1-CD2 4.38Å; F437-L512 HydrophobicContact CE2-CD2 4.07Å; F437-L512 HydrophobicContact CG-CD1 3.93Å; F437-L512 HydrophobicContact CG-CD2 3.82Å; F437-L512 HydrophobicContact CZ-CD2 4.36Å
438	D	90.3	Very high	93	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.048	21%	0.213	C	C	.	.			trans	-78.1	109.1	170.3	-174.4	-9.5	0	0	0	109.4	F412 R440	F412-D438 HydrophobicContact CD1-CB 4.09Å; F412-D438 HydrophobicContact CE1-CB 3.61Å; F412-D438 HydrophobicContact CZ-CB 3.97Å; F412-D438 PolarHBondContact O-N 3.34Å; D438-R440 VanDerWaalsContact OD1-CB 3.32Å; D438-R440 WeakPolarHBondContact OD1-CB 3.44Å; D438-R440 WeakPolarHBondContact OD1-CG 3.5Å; D438-R440 PolarHBondContact OD1-N 2.92Å; D438-R440 VanDerWaalsContact OD1-N 3.11Å; D438-R440 IonicContact OD1-NE 2.67Å; D438-R440 PolarHBondContact OD1-NE 3.07Å; D438-R440 VanDerWaalsContact OD1-NE 3.1Å; D438-R440 IonicContact OD2-CZ 3.04Å; D438-R440 VanDerWaalsContact OD2-CZ 3.23Å; D438-R440 IonicContact OD2-NE 2.82Å; D438-R440 PolarHBondContact OD2-NE 3.26Å; D438-R440 IonicContact OD2-NH2 2.71Å; D438-R440 PolarHBondContact OD2-NH2 3.36Å
439	G	84.1	Confident	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.			trans	-90.7	8.2	-175.6	0	0	0	0	0	114.8	F437 E488	F437-G439 PolarHBondContact O-N 3.05Å; G439-E488 CarbonylContact C-O 3.57Å; G439-E488 WeakPolarHBondContact CA-O 3.41Å; G439-E488 PolarHBondContact N-O 3Å
440	R	87.4	Confident	92.5	Very high	42 Å²	42	33.5 Å²	33.5	16%	0.158	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	162.6	174.6	-73.6	-176.6	-67.3	-177.8	-0.2	111.7	E379 D438 N442 T443 E488 I489	E379-R440 VanDerWaalsContact CD-NH2 3.35Å; E379-R440 IonicContact OE1-CZ 2.69Å; E379-R440 IonicContact OE1-NH1 2.69Å; E379-R440 IonicContact OE1-NH2 3.52Å; E379-R440 PolarHBondContact OE1-NH2 2.82Å; E379-R440 IonicContact OE2-CZ 3.97Å; E379-R440 IonicContact OE2-NH1 2.77Å; E379-R440 PolarHBondContact OE2-NH1 3.22Å; E379-R440 IonicContact OE2-NH2 3.14Å; E379-R440 PolarHBondContact OE2-NH2 3.24Å; D438-R440 VanDerWaalsContact OD1-CB 3.32Å; D438-R440 WeakPolarHBondContact OD1-CB 3.44Å; D438-R440 WeakPolarHBondContact OD1-CG 3.5Å; D438-R440 PolarHBondContact OD1-N 2.92Å; D438-R440 VanDerWaalsContact OD1-N 3.11Å; D438-R440 IonicContact OD1-NE 2.67Å; D438-R440 PolarHBondContact OD1-NE 3.07Å; D438-R440 VanDerWaalsContact OD1-NE 3.1Å; D438-R440 IonicContact OD2-CZ 3.04Å; D438-R440 VanDerWaalsContact OD2-CZ 3.23Å; D438-R440 IonicContact OD2-NE 2.82Å; D438-R440 PolarHBondContact OD2-NE 3.26Å; D438-R440 IonicContact OD2-NH2 2.71Å; D438-R440 PolarHBondContact OD2-NH2 3.36Å; R440-N442 PolarHBondContact O-N 3.03Å; R440-T443 PolarHBondContact O-N 2.77Å; R440-T443 PolarHBondContact O-OG1 3Å; R440-E488 HydrophobicContact CG-CG 4.16Å; R440-E488 PolarHBondContact N-O 3.41Å; R440-I489 HydrophobicContact CG-CG1 4.27Å
441	W	85.7	Confident	91.9	Very high	56 Å²	56	32 Å²	32	21%	0.212	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	33.6	174.1	-40	121.7	0	0	0	115	K406 V407 V408 T443 Y516	K406-W441 HydrophobicContact CD-CH2 4.45Å; K406-W441 HydrophobicContact CD-CZ3 4.26Å; K406-W441 VanDerWaalsContact CE-CE3 3.45Å; K406-W441 VanDerWaalsContact CE-CH2 3.42Å; K406-W441 HydrophobicContact CG-CH2 4.13Å; K406-W441 HydrophobicContact CG-CZ3 4.42Å; V407-W441 VanDerWaalsContact O-CZ2 3.28Å; V407-W441 WeakPolarHBondContact O-CZ2 3.12Å; V408-W441 HydrophobicContact CG1-CH2 4.44Å; V408-W441 HydrophobicContact CG1-CZ2 4.13Å; W441-T443 PolarHBondContact O-N 2.85Å; W441-Y516 HydrophobicContact CB-CD2 3.74Å; W441-Y516 HydrophobicContact CB-CE2 3.91Å; W441-Y516 HydrophobicContact CD2-CD2 4.05Å; W441-Y516 AromaticContact CD2-CE2 3.85Å; W441-Y516 HydrophobicContact CD2-CE2 3.85Å; W441-Y516 HydrophobicContact CE3-CE2 4.03Å; W441-Y516 AromaticContact CG-CD2 3.63Å; W441-Y516 HydrophobicContact CG-CD2 3.63Å; W441-Y516 AromaticContact CG-CE2 3.83Å; W441-Y516 HydrophobicContact CG-CE2 3.83Å
442	N	88.2	Confident	91.5	Very high	145 Å²	145	34.3 Å²	34.3	78%	0.775	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	41.1	-178.2	-59.8	-32.2	0	0	0	112.6	R440 V444	R440-N442 PolarHBondContact O-N 3.03Å; N442-V444 PolarHBondContact O-N 2.64Å
443	T	93.2	Very high	91.4	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-60.4	124.2	-179.8	-67.1	0	0	0	0	110.9	P411 F437 R440 W441 L512 H513	P411-T443 HydrophobicContact CB-CG2 3.68Å; P411-T443 HydrophobicContact CG-CG2 4.11Å; F437-T443 HydrophobicContact CD2-CG2 4.34Å; F437-T443 HydrophobicContact CE2-CG2 4.12Å; R440-T443 PolarHBondContact O-N 2.77Å; R440-T443 PolarHBondContact O-OG1 3Å; W441-T443 PolarHBondContact O-N 2.85Å; T443-L512 HydrophobicContact CG2-CB 3.88Å; T443-L512 HydrophobicContact CG2-CD2 4.4Å; T443-H513 CarbonylContact C-O 3.57Å; T443-H513 WeakPolarHBondContact CA-O 3.06Å
444	V	93.9	Very high	91.3	Very high	59 Å²	59	34.7 Å²	34.7	36%	0.358	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.5	174.8	-176.4	0	0	0	0	108.8	N442 Y446 P455 H513	N442-V444 PolarHBondContact O-N 2.64Å; V444-Y446 HydrophobicContact CB-CE2 3.98Å; V444-Y446 HydrophobicContact CG1-CD2 4.23Å; V444-Y446 HydrophobicContact CG1-CE2 3.58Å; V444-P455 HydrophobicContact CG1-CB 4.36Å; V444-H513 PolarHBondContact N-O 2.85Å; V444-H513 PolarHBondContact O-N 3.48Å
445	V	96.3	Very high	91.3	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.1	177.7	-174.4	0	0	0	0	109.1	F437 P455 V484 I493 I510 L512	F437-V445 HydrophobicContact CE1-CG2 3.87Å; F437-V445 HydrophobicContact CE2-CG2 3.93Å; F437-V445 HydrophobicContact CZ-CG2 3.34Å; V445-P455 WeakPolarHBondContact O-CA 3.29Å; V445-V484 HydrophobicContact CB-CG2 3.81Å; V445-V484 HydrophobicContact CG1-CG2 4.34Å; V445-V484 HydrophobicContact CG2-CG1 4.48Å; V445-V484 HydrophobicContact CG2-CG2 3.66Å; V445-I493 HydrophobicContact CG1-CB 4.22Å; V445-I493 HydrophobicContact CG1-CD1 4.28Å; V445-I493 HydrophobicContact CG1-CG1 3.96Å; V445-I493 HydrophobicContact CG1-CG2 4.46Å; V445-I510 HydrophobicContact CG1-CG2 3.86Å; V445-L512 HydrophobicContact CB-CD2 4.49Å; V445-L512 HydrophobicContact CG1-CD2 4.31Å; V445-L512 HydrophobicContact CG2-CD2 3.8Å
446	Y	96.1	Very high	91.2	Very high	60 Å²	60	35.8 Å²	35.8	24%	0.235	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.1	170.5	-64	-95.7	0	0	0	108.4	V444 A454 P455 I510 R511 H513	V444-Y446 HydrophobicContact CB-CE2 3.98Å; V444-Y446 HydrophobicContact CG1-CD2 4.23Å; V444-Y446 HydrophobicContact CG1-CE2 3.58Å; Y446-A454 WeakPolarHBondContact CA-O 3.47Å; Y446-P455 HydrophobicContact CD1-CB 4.27Å; Y446-P455 HydrophobicContact CE1-CB 4.13Å; Y446-P455 HydrophobicContact CE1-CG 4.27Å; Y446-I510 WeakPolarHBondContact O-CA 3.25Å; Y446-R511 PolarHBondContact N-O 3.45Å; Y446-R511 PolarHBondContact O-N 3.33Å; Y446-H513 HydrophobicContact CD2-CB 4.19Å; Y446-H513 HydrophobicContact CE2-CB 3.89Å
447	V	96.8	Very high	91.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.4	171.2	179.7	0	0	0	0	108	E453 A454 L460 I480 F482 I493 V495 L508 S509 I510	V447-E453 WeakPolarHBondContact O-CA 3.25Å; V447-A454 PolarHBondContact N-O 2.69Å; V447-A454 PolarHBondContact O-N 2.97Å; V447-L460 HydrophobicContact CG1-CD2 4.4Å; V447-I480 HydrophobicContact CG1-CD1 4.17Å; V447-F482 HydrophobicContact CB-CD1 3.82Å; V447-F482 HydrophobicContact CB-CD2 4.16Å; V447-F482 HydrophobicContact CB-CE1 3.63Å; V447-F482 HydrophobicContact CB-CE2 3.98Å; V447-F482 HydrophobicContact CB-CG 4.07Å; V447-F482 HydrophobicContact CB-CZ 3.7Å; V447-F482 HydrophobicContact CG1-CD1 3.96Å; V447-F482 HydrophobicContact CG1-CE1 4.06Å; V447-F482 HydrophobicContact CG1-CG 4.44Å; V447-F482 HydrophobicContact CG2-CB 4.21Å; V447-F482 HydrophobicContact CG2-CD1 3.93Å; V447-F482 HydrophobicContact CG2-CD2 3.54Å; V447-F482 HydrophobicContact CG2-CE1 4.11Å; V447-F482 HydrophobicContact CG2-CE2 3.73Å; V447-F482 HydrophobicContact CG2-CG 3.63Å; V447-F482 HydrophobicContact CG2-CZ 3.99Å; V447-I493 HydrophobicContact CG2-CD1 4.27Å; V447-I493 HydrophobicContact CG2-CG1 4.37Å; V447-V495 HydrophobicContact CG1-CG1 4.43Å; V447-V495 HydrophobicContact CG1-CG2 4.44Å; V447-V495 HydrophobicContact CG2-CG2 4.18Å; V447-L508 HydrophobicContact CG1-CD1 3.9Å; V447-S509 WeakPolarHBondContact CA-O 3.23Å; V447-I510 HydrophobicContact CG2-CG1 4.48Å
448	G	93.1	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.6	-173.7	0	0	0	0	0	113.2	F452 L508 S509	G448-F452 CarbonylContact C-O 3.5Å; G448-F452 WeakPolarHBondContact CA-O 3.31Å; G448-L508 WeakPolarHBondContact O-CA 3.45Å; G448-L508 WeakPolarHBondContact O-CD1 3.36Å; G448-S509 PolarHBondContact N-O 2.69Å; G448-S509 PolarHBondContact O-N 2.88Å
449	V	91.2	Very high	91.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122	169.9	174.4	0	0	0	0	108.1	S451 F452 L460 I464 L475 L478 I480 C506 E507 L508	V449-S451 PolarHBondContact O-N 3.45Å; V449-F452 PolarHBondContact N-O 3.11Å; V449-F452 PolarHBondContact O-N 2.68Å; V449-L460 HydrophobicContact CG2-CD2 4.12Å; V449-I464 HydrophobicContact CB-CD1 3.9Å; V449-I464 HydrophobicContact CG1-CD1 4.18Å; V449-I464 HydrophobicContact CG2-CD1 4.4Å; V449-L475 HydrophobicContact CG1-CD1 4.07Å; V449-L475 HydrophobicContact CG1-CD2 4.04Å; V449-L475 HydrophobicContact CG1-CG 4.23Å; V449-L478 HydrophobicContact CG1-CD2 4.01Å; V449-L478 HydrophobicContact CG2-CD2 4.07Å; V449-I480 HydrophobicContact CG2-CD1 3.85Å; V449-C506 HydrophobicContact CG1-CB 4.12Å; V449-E507 WeakPolarHBondContact CA-O 3.36Å; V449-L508 HydrophobicContact CG2-CD1 4.13Å
450	A	82.4	Confident	91.8	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	52.4	178.5	0	0	0	0	0	113	L155 F452 L475 E507	L155-A450 HydrophobicContact CB-CB 4.3Å; L155-A450 HydrophobicContact CD2-CB 3.69Å; A450-F452 WeakPolarHBondContact O-CD2 3.31Å; A450-F452 PolarHBondContact O-N 2.9Å; A450-L475 HydrophobicContact CB-CD2 3.91Å; A450-E507 PolarHBondContact N-O 3.4Å
451	S	79.8	Confident	91.9	Very high	54 Å²	54	44.5 Å²	44.5	38%	0.378	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	-5.3	-176.3	-52.8	0	0	0	0	117.6	V449	V449-S451 PolarHBondContact O-N 3.45Å
452	F	88	Confident	92.1	Very high	55 Å²	55	47.6 Å²	47.6	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.9	172.9	-58.6	-74.8	0	0	0	109.6	G448 V449 A450 L460 I464 N467 L468	G448-F452 CarbonylContact C-O 3.5Å; G448-F452 WeakPolarHBondContact CA-O 3.31Å; V449-F452 PolarHBondContact N-O 3.11Å; V449-F452 PolarHBondContact O-N 2.68Å; A450-F452 WeakPolarHBondContact O-CD2 3.31Å; A450-F452 PolarHBondContact O-N 2.9Å; F452-L460 HydrophobicContact CB-CD1 4.35Å; F452-L460 WeakPolarHBondContact O-CD1 3.14Å; F452-I464 HydrophobicContact CB-CG1 4.29Å; F452-I464 HydrophobicContact CD2-CG1 4.48Å; F452-N467 HydrophobicContact CE1-CB 3.55Å; F452-N467 VanDerWaalsContact CE1-ND2 3.26Å; F452-N467 WeakPolarHBondContact CE1-ND2 3.03Å; F452-N467 HydrophobicContact CE2-CB 4.32Å; F452-N467 HydrophobicContact CZ-CB 3.43Å; F452-N467 VanDerWaalsContact CZ-CB 3.43Å; F452-L468 HydrophobicContact CE2-CD1 4.39Å; F452-L468 HydrophobicContact CE2-CD2 4.07Å; F452-L468 HydrophobicContact CE2-CG 4.05Å
453	E	92	Very high	92.1	Very high	51 Å²	51	42.8 Å²	42.8	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.4	-179	-68.1	178.9	170.7	0	0	111.2	V447 R511 R520	V447-E453 WeakPolarHBondContact O-CA 3.25Å; E453-R511 IonicContact OE1-NE 3.82Å; E453-R511 PolarHBondContact OE1-NE 3.25Å; E453-R511 IonicContact OE2-CZ 3.28Å; E453-R511 IonicContact OE2-NE 3.27Å; E453-R511 PolarHBondContact OE2-NE 3.37Å; E453-R511 IonicContact OE2-NH2 2.65Å; E453-R511 PolarHBondContact OE2-NH2 3.26Å; E453-R520 IonicContact OE1-CZ 3.7Å; E453-R520 IonicContact OE1-NE 2.78Å; E453-R520 PolarHBondContact OE1-NE 3.1Å; E453-R520 IonicContact OE1-NH2 3.68Å; E453-R520 PolarHBondContact OE1-NH2 3.17Å; E453-R520 IonicContact OE2-NH2 2.59Å
454	A	94.9	Very high	91.8	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.6	173	0	0	0	0	0	112.5	Y446 V447 E459 L460	Y446-A454 WeakPolarHBondContact CA-O 3.47Å; V447-A454 PolarHBondContact N-O 2.69Å; V447-A454 PolarHBondContact O-N 2.97Å; A454-E459 HydrophobicContact CB-CB 3.8Å; A454-L460 HydrophobicContact CB-CB 3.86Å; A454-L460 HydrophobicContact CB-CD1 4.37Å
455	P	95.1	Very high	91.4	Very high	51 Å²	51	43.4 Å²	43.4	33%	0.331	22%	0.218	S	C	.	.	S	Bend	trans	-79.2	-15.8	179.2	32.8	-36.8	0	0	0	113.9	V444 V445 Y446 E459	V444-P455 HydrophobicContact CG1-CB 4.36Å; V445-P455 WeakPolarHBondContact O-CA 3.29Å; Y446-P455 HydrophobicContact CD1-CB 4.27Å; Y446-P455 HydrophobicContact CE1-CB 4.13Å; Y446-P455 HydrophobicContact CE1-CG 4.27Å; P455-E459 VanDerWaalsContact CD-OE2 3.26Å; P455-E459 WeakPolarHBondContact CD-OE2 3.24Å; P455-E459 VanDerWaalsContact CG-OE2 3.3Å; P455-E459 WeakPolarHBondContact CG-OE2 3.47Å
456	T	95.8	Very high	90.8	Very high	50 Å²	50	51 Å²	51	31%	0.307	25%	0.251	S	S	.	.	S	Bend	trans	-133.1	151.4	177.1	68.7	0	0	0	0	110.9	Q458 E459 L460 F482	T456-Q458 VanDerWaalsContact C-N 3.27Å; T456-Q458 PolarHBondContact O-N 3.48Å; T456-E459 PolarHBondContact O-N 2.85Å; T456-E459 WeakPolarHBondContact OG1-CB 3.41Å; T456-E459 WeakPolarHBondContact OG1-CG 3.33Å; T456-E459 PolarHBondContact OG1-N 2.79Å; T456-L460 PolarHBondContact O-N 2.79Å; T456-F482 WeakPolarHBondContact O-CZ 3.4Å
457	Y	94.5	Very high	90	Very high	78 Å²	78	52.1 Å²	52.1	31%	0.306	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-29.1	-177.7	68.9	-94.2	0	0	0	112.3	L460 R461 I481	Y457-L460 PolarHBondContact O-N 3.04Å; Y457-R461 WeakPolarHBondContact O-CB 3.4Å; Y457-R461 VanDerWaalsContact O-CG 3.3Å; Y457-R461 WeakPolarHBondContact O-CG 3.5Å; Y457-R461 PolarHBondContact O-N 3.29Å; Y457-I481 HydrophobicContact CD1-CG2 4.2Å; Y457-I481 HydrophobicContact CE1-CG2 4.34Å; Y457-I481 HydrophobicContact CG-CG2 4.48Å
458	Q	94.6	Very high	88.8	Confident	90 Å²	90	52.5 Å²	52.5	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-45.7	175.1	-60.6	92.4	-27.7	0	0	111.1	T456 L460 R461 M462	T456-Q458 VanDerWaalsContact C-N 3.27Å; T456-Q458 PolarHBondContact O-N 3.48Å; Q458-L460 VanDerWaalsContact C-N 3.35Å; Q458-R461 PolarHBondContact O-N 2.72Å; Q458-M462 WeakPolarHBondContact O-CG 3.41Å; Q458-M462 PolarHBondContact O-N 3.23Å
459	E	94.8	Very high	87.2	Confident	89 Å²	89	59.3 Å²	59.3	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-66.3	-37.4	177.2	-73.9	173.8	-156.6	0	0	112.4	A454 P455 T456 M462 S463	A454-E459 HydrophobicContact CB-CB 3.8Å; P455-E459 VanDerWaalsContact CD-OE2 3.26Å; P455-E459 WeakPolarHBondContact CD-OE2 3.24Å; P455-E459 VanDerWaalsContact CG-OE2 3.3Å; P455-E459 WeakPolarHBondContact CG-OE2 3.47Å; T456-E459 PolarHBondContact O-N 2.85Å; T456-E459 WeakPolarHBondContact OG1-CB 3.41Å; T456-E459 WeakPolarHBondContact OG1-CG 3.33Å; T456-E459 PolarHBondContact OG1-N 2.79Å; E459-M462 HydrophobicContact CB-CE 4.43Å; E459-M462 HydrophobicContact CG-CE 4.02Å; E459-M462 PolarHBondContact O-N 2.88Å; E459-S463 WeakPolarHBondContact O-CB 3.17Å; E459-S463 PolarHBondContact O-N 3.39Å; E459-S463 PolarHBondContact O-OG 3.1Å
460	L	93.9	Very high	85.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-52.5	175	-174.9	57.5	0	0	0	110.6	V447 V449 F452 A454 T456 Y457 Q458 M462 S463 I464 I480 F482	V447-L460 HydrophobicContact CG1-CD2 4.4Å; V449-L460 HydrophobicContact CG2-CD2 4.12Å; F452-L460 HydrophobicContact CB-CD1 4.35Å; F452-L460 WeakPolarHBondContact O-CD1 3.14Å; A454-L460 HydrophobicContact CB-CB 3.86Å; A454-L460 HydrophobicContact CB-CD1 4.37Å; T456-L460 PolarHBondContact O-N 2.79Å; Y457-L460 PolarHBondContact O-N 3.04Å; Q458-L460 VanDerWaalsContact C-N 3.35Å; L460-M462 VanDerWaalsContact C-N 3.34Å; L460-M462 PolarHBondContact O-N 2.85Å; L460-S463 WeakPolarHBondContact O-CB 3.38Å; L460-S463 PolarHBondContact O-N 3.3Å; L460-I464 HydrophobicContact CD1-CD1 4.01Å; L460-I464 HydrophobicContact CD1-CG1 4.24Å; L460-I464 HydrophobicContact CD2-CD1 4.48Å; L460-I464 HydrophobicContact CG-CD1 3.82Å; L460-I464 HydrophobicContact CG-CG1 4.42Å; L460-I464 WeakPolarHBondContact O-CG1 3.39Å; L460-I464 PolarHBondContact O-N 2.83Å; L460-I480 HydrophobicContact CD2-CD1 4.17Å; L460-I480 HydrophobicContact CD2-CG2 4.17Å; L460-F482 HydrophobicContact CB-CE1 4.26Å; L460-F482 HydrophobicContact CD2-CE1 3.75Å
461	R	90.4	Very high	84.2	Confident	72 Å²	72	71.6 Å²	71.6	27%	0.272	35%	0.349	S	S	.	.	H	α-helix	trans	-57.4	-46.2	178.9	-73.5	178.9	-169.3	-152.4	1.3	111.7	Y457 Q458 S463 I464 D465 D479 I480	Y457-R461 WeakPolarHBondContact O-CB 3.4Å; Y457-R461 VanDerWaalsContact O-CG 3.3Å; Y457-R461 WeakPolarHBondContact O-CG 3.5Å; Y457-R461 PolarHBondContact O-N 3.29Å; Q458-R461 PolarHBondContact O-N 2.72Å; R461-S463 VanDerWaalsContact C-N 3.28Å; R461-S463 PolarHBondContact O-N 3.24Å; R461-I464 PolarHBondContact O-N 3.26Å; R461-D465 VanDerWaalsContact O-CB 3.31Å; R461-D465 WeakPolarHBondContact O-CB 3.41Å; R461-D465 PolarHBondContact O-N 3.11Å; R461-D479 IonicContact CZ-OD1 3.2Å; R461-D479 VanDerWaalsContact CZ-OD1 3.28Å; R461-D479 IonicContact NH1-OD1 3.52Å; R461-D479 PolarHBondContact NH1-OD1 2.9Å; R461-D479 VanDerWaalsContact NH1-OD1 3.17Å; R461-D479 IonicContact NH2-OD1 2.81Å; R461-D479 PolarHBondContact NH2-OD1 3.48Å; R461-I480 PolarHBondContact NE-O 3.48Å; R461-I480 VanDerWaalsContact NE-O 3.11Å; R461-I480 PolarHBondContact NH2-O 3.38Å
462	M	89.9	Confident	83.1	Confident	120 Å²	120	73.8 Å²	73.8	59%	0.591	35%	0.352	S	S	*	.	H	α-helix	trans	-59	-39	176.1	-73	-172	-65.2	0	0	112.7	Q458 E459 L460 K466	Q458-M462 WeakPolarHBondContact O-CG 3.41Å; Q458-M462 PolarHBondContact O-N 3.23Å; E459-M462 HydrophobicContact CB-CE 4.43Å; E459-M462 HydrophobicContact CG-CE 4.02Å; E459-M462 PolarHBondContact O-N 2.88Å; L460-M462 VanDerWaalsContact C-N 3.34Å; L460-M462 PolarHBondContact O-N 2.85Å; M462-K466 VanDerWaalsContact O-CB 3.28Å; M462-K466 WeakPolarHBondContact O-CB 3.36Å; M462-K466 PolarHBondContact O-N 2.9Å; M462-K466 VanDerWaalsContact O-N 3.07Å
463	S	88.3	Confident	81.7	Confident	44 Å²	44	79.4 Å²	79.4	31%	0.308	38%	0.379	S	S	.	.	H	α-helix	trans	-70	-42.6	179.4	-60.7	0	0	0	0	112.1	E459 L460 R461 N467	E459-S463 WeakPolarHBondContact O-CB 3.17Å; E459-S463 PolarHBondContact O-N 3.39Å; E459-S463 PolarHBondContact O-OG 3.1Å; L460-S463 WeakPolarHBondContact O-CB 3.38Å; L460-S463 PolarHBondContact O-N 3.3Å; R461-S463 VanDerWaalsContact C-N 3.28Å; R461-S463 PolarHBondContact O-N 3.24Å; S463-N467 PolarHBondContact O-N 3.05Å; S463-N467 PolarHBondContact O-ND2 2.98Å
464	I	86.8	Confident	80.9	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-50.1	175.6	-64.6	172.7	0	0	0	109.8	V449 F452 L460 R461 K466 N467 L468	V449-I464 HydrophobicContact CB-CD1 3.9Å; V449-I464 HydrophobicContact CG1-CD1 4.18Å; V449-I464 HydrophobicContact CG2-CD1 4.4Å; F452-I464 HydrophobicContact CB-CG1 4.29Å; F452-I464 HydrophobicContact CD2-CG1 4.48Å; L460-I464 HydrophobicContact CD1-CD1 4.01Å; L460-I464 HydrophobicContact CD1-CG1 4.24Å; L460-I464 HydrophobicContact CD2-CD1 4.48Å; L460-I464 HydrophobicContact CG-CD1 3.82Å; L460-I464 HydrophobicContact CG-CG1 4.42Å; L460-I464 WeakPolarHBondContact O-CG1 3.39Å; L460-I464 PolarHBondContact O-N 2.83Å; R461-I464 PolarHBondContact O-N 3.26Å; I464-K466 VanDerWaalsContact C-N 3.28Å; I464-K466 PolarHBondContact O-N 2.73Å; I464-N467 PolarHBondContact O-N 3.46Å; I464-L468 HydrophobicContact CG2-CB 4.49Å; I464-L468 HydrophobicContact CG2-CD1 3.75Å; I464-L468 HydrophobicContact CG2-CG 4.36Å; I464-L468 WeakPolarHBondContact O-CB 3.26Å; I464-L468 PolarHBondContact O-N 3.25Å
465	D	84.4	Confident	80.2	Confident	78 Å²	78	79.8 Å²	79.8	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-38.9	-179.5	-80	-21.8	0	0	0	112.5	R461 K469 S476	R461-D465 VanDerWaalsContact O-CB 3.31Å; R461-D465 WeakPolarHBondContact O-CB 3.41Å; R461-D465 PolarHBondContact O-N 3.11Å; D465-K469 WeakPolarHBondContact O-CB 3.1Å; D465-S476 VanDerWaalsContact OD1-O 3.1Å
466	K	83.4	Confident	79.4	Confident	169 Å²	169	78.9 Å²	78.9	74%	0.735	38%	0.375	S	S	*	.	H	α-helix	trans	-68.9	-40.2	-180	-175.9	179.5	176.6	-175.2	0	112.4	M462 I464	M462-K466 VanDerWaalsContact O-CB 3.28Å; M462-K466 WeakPolarHBondContact O-CB 3.36Å; M462-K466 PolarHBondContact O-N 2.9Å; M462-K466 VanDerWaalsContact O-N 3.07Å; I464-K466 VanDerWaalsContact C-N 3.28Å; I464-K466 PolarHBondContact O-N 2.73Å
467	N	79.2	Confident	78.8	Confident	84 Å²	84	82 Å²	82	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-94.5	-34.9	-170.9	-66.4	-61.2	0	0	0	113.3	F452 S463 I464	F452-N467 HydrophobicContact CE1-CB 3.55Å; F452-N467 VanDerWaalsContact CE1-ND2 3.26Å; F452-N467 WeakPolarHBondContact CE1-ND2 3.03Å; F452-N467 HydrophobicContact CE2-CB 4.32Å; F452-N467 HydrophobicContact CZ-CB 3.43Å; F452-N467 VanDerWaalsContact CZ-CB 3.43Å; S463-N467 PolarHBondContact O-N 3.05Å; S463-N467 PolarHBondContact O-ND2 2.98Å; I464-N467 PolarHBondContact O-N 3.46Å
468	L	71.6	Confident	78.5	Confident	7 Å²	7	78.7 Å²	78.7	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-95.4	2.4	-176.7	-63.1	-175	0	0	0	114.3	L155 F452 I464 Y470 S471 L475	L155-L468 HydrophobicContact CD2-CD1 4.33Å; L155-L468 HydrophobicContact CD2-CD2 4.05Å; F452-L468 HydrophobicContact CE2-CD1 4.39Å; F452-L468 HydrophobicContact CE2-CD2 4.07Å; F452-L468 HydrophobicContact CE2-CG 4.05Å; I464-L468 HydrophobicContact CG2-CB 4.49Å; I464-L468 HydrophobicContact CG2-CD1 3.75Å; I464-L468 HydrophobicContact CG2-CG 4.36Å; I464-L468 WeakPolarHBondContact O-CB 3.26Å; I464-L468 PolarHBondContact O-N 3.25Å; L468-Y470 PolarHBondContact O-N 2.74Å; L468-S471 WeakPolarHBondContact CD2-OG 3.25Å; L468-S471 PolarHBondContact O-N 2.82Å; L468-L475 HydrophobicContact CD1-CB 4.03Å; L468-L475 HydrophobicContact CD1-CD2 3.7Å; L468-L475 HydrophobicContact CD1-CG 4.05Å
469	K	59.5	Low	78.4	Confident	143 Å²	143	77 Å²	77	62%	0.622	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-28.2	179.7	-158	171.1	-178.4	177.4	0	113.7	D465	D465-K469 WeakPolarHBondContact O-CB 3.1Å
470	Y	53.2	Low	78.4	Confident	199 Å²	199	72.9 Å²	72.9	78%	0.78	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-19.1	-171.3	-56.3	-71.3	0	0	0	115	L468	L468-Y470 PolarHBondContact O-N 2.74Å
471	S	57.9	Low	78.4	Confident	61 Å²	61	76.2 Å²	76.2	43%	0.427	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-37.9	-169	55.7	0	0	0	0	115.4	L468	L468-S471 WeakPolarHBondContact CD2-OG 3.25Å; L468-S471 PolarHBondContact O-N 2.82Å
472	K	57.5	Low	78.8	Confident	100 Å²	100	73.3 Å²	73.3	44%	0.435	36%	0.355	S	S	.	.			trans	-151.8	120.2	175.3	-77.8	175.7	176.7	172.8	0	110.6	D153 L155 Q474	D153-K472 IonicContact OD2-NZ 2.7Å; D153-K472 PolarHBondContact OD2-NZ 2.78Å; L155-K472 HydrophobicContact CD1-CB 4.5Å; L155-K472 HydrophobicContact CD1-CD 3.31Å; L155-K472 HydrophobicContact CD1-CG 4.45Å; L155-K472 HydrophobicContact CG-CD 4.13Å; K472-Q474 PolarHBondContact O-N 2.69Å
473	Q	58.2	Low	79.1	Confident	174 Å²	174	72 Å²	72	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.2	-160.3	-74.6	179.3	-18.3	0	0	117.5
474	Q	75	Confident	79.4	Confident	60 Å²	60	73.1 Å²	73.1	28%	0.28	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-26.8	-173.2	-61.4	-150.4	26.1	0	0	115	K472 S476 Q477 K501 L502 Q504	K472-Q474 PolarHBondContact O-N 2.69Å; Q474-S476 VanDerWaalsContact C-N 3.33Å; Q474-S476 PolarHBondContact O-N 3.16Å; Q474-Q477 PolarHBondContact O-N 3.07Å; Q474-Q477 VanDerWaalsContact O-N 3.1Å; Q474-K501 VanDerWaalsContact OE1-CB 3.28Å; Q474-L502 PolarHBondContact NE2-O 3.07Å; Q474-L502 PolarHBondContact OE1-O 2.81Å; Q474-Q504 HydrophobicContact CB-CG 3.84Å; Q474-Q504 PolarHBondContact O-NE2 2.69Å
475	L	79.4	Confident	79.7	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-71.8	-27.7	-176.5	-165.9	63	0	0	0	112.9	L155 V449 A450 L468 Q477 L478 C506	L155-L475 HydrophobicContact CD1-CD2 4.22Å; L155-L475 HydrophobicContact CD2-CD2 4.09Å; V449-L475 HydrophobicContact CG1-CD1 4.07Å; V449-L475 HydrophobicContact CG1-CD2 4.04Å; V449-L475 HydrophobicContact CG1-CG 4.23Å; A450-L475 HydrophobicContact CB-CD2 3.91Å; L468-L475 HydrophobicContact CD1-CB 4.03Å; L468-L475 HydrophobicContact CD1-CD2 3.7Å; L468-L475 HydrophobicContact CD1-CG 4.05Å; L475-Q477 PolarHBondContact O-N 3.36Å; L475-L478 HydrophobicContact CD1-CB 4.34Å; L475-L478 HydrophobicContact CD1-CD1 4.36Å; L475-L478 HydrophobicContact CD1-CD2 4.06Å; L475-L478 WeakPolarHBondContact O-CB 3.26Å; L475-L478 PolarHBondContact O-N 3.14Å; L475-L478 VanDerWaalsContact O-N 3.1Å; L475-C506 HydrophobicContact CD1-CB 3.85Å; L475-C506 HydrophobicContact CD2-CB 4.28Å
476	S	79.4	Confident	80	Confident	32 Å²	32	74 Å²	74	22%	0.224	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63	-21.4	170.6	49.1	0	0	0	0	113.4	D465 Q474 L478	D465-S476 VanDerWaalsContact OD1-O 3.1Å; Q474-S476 VanDerWaalsContact C-N 3.33Å; Q474-S476 PolarHBondContact O-N 3.16Å; S476-L478 VanDerWaalsContact C-N 3.33Å
477	Q	83.9	Confident	80.2	Confident	117 Å²	117	73 Å²	73	55%	0.547	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-91.8	9.2	176	-57.5	-177.2	2.1	0	0	113.2	Q474 L475 D479	Q474-Q477 PolarHBondContact O-N 3.07Å; Q474-Q477 VanDerWaalsContact O-N 3.1Å; L475-Q477 PolarHBondContact O-N 3.36Å; Q477-D479 PolarHBondContact O-N 3.41Å
478	L	87.9	Confident	80.3	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.037	37%	0.37	C	S	.	.			trans	-64	117.6	-178.3	-168.8	74.8	0	0	0	110.5	V449 L475 S476 I480 I497 L500 Q504	V449-L478 HydrophobicContact CG1-CD2 4.01Å; V449-L478 HydrophobicContact CG2-CD2 4.07Å; L475-L478 HydrophobicContact CD1-CB 4.34Å; L475-L478 HydrophobicContact CD1-CD1 4.36Å; L475-L478 HydrophobicContact CD1-CD2 4.06Å; L475-L478 WeakPolarHBondContact O-CB 3.26Å; L475-L478 PolarHBondContact O-N 3.14Å; L475-L478 VanDerWaalsContact O-N 3.1Å; S476-L478 VanDerWaalsContact C-N 3.33Å; L478-I480 VanDerWaalsContact C-N 3.34Å; L478-I480 HydrophobicContact CD2-CB 4.29Å; L478-I480 HydrophobicContact CD2-CG2 4.4Å; L478-I480 HydrophobicContact CG-CB 4.45Å; L478-I480 PolarHBondContact O-N 2.77Å; L478-I480 VanDerWaalsContact O-N 3.08Å; L478-I497 HydrophobicContact CD1-CG2 3.56Å; L478-I497 HydrophobicContact CD2-CD1 4.46Å; L478-I497 HydrophobicContact CG-CG2 3.96Å; L478-L500 HydrophobicContact CD1-CD2 3.76Å; L478-Q504 HydrophobicContact CD1-CB 4.35Å
479	D	91.6	Very high	81	Confident	56 Å²	56	78.6 Å²	78.6	30%	0.299	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	76.9	178.1	-171.8	39.6	0	0	0	110.8	R461 Q477 I497 T498	R461-D479 IonicContact CZ-OD1 3.2Å; R461-D479 VanDerWaalsContact CZ-OD1 3.28Å; R461-D479 IonicContact NH1-OD1 3.52Å; R461-D479 PolarHBondContact NH1-OD1 2.9Å; R461-D479 VanDerWaalsContact NH1-OD1 3.17Å; R461-D479 IonicContact NH2-OD1 2.81Å; R461-D479 PolarHBondContact NH2-OD1 3.48Å; Q477-D479 PolarHBondContact O-N 3.41Å; D479-I497 WeakPolarHBondContact O-CA 3.1Å; D479-T498 PolarHBondContact O-N 2.79Å; D479-T498 PolarHBondContact OD2-OG1 2.69Å
480	I	94.2	Very high	82.4	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130	179.2	-174	167.4	0	0	0	111.7	V447 V449 L460 R461 L478 F482 V495 N496 I497 L508	V447-I480 HydrophobicContact CG1-CD1 4.17Å; V449-I480 HydrophobicContact CG2-CD1 3.85Å; L460-I480 HydrophobicContact CD2-CD1 4.17Å; L460-I480 HydrophobicContact CD2-CG2 4.17Å; R461-I480 PolarHBondContact NE-O 3.48Å; R461-I480 VanDerWaalsContact NE-O 3.11Å; R461-I480 PolarHBondContact NH2-O 3.38Å; L478-I480 VanDerWaalsContact C-N 3.34Å; L478-I480 HydrophobicContact CD2-CB 4.29Å; L478-I480 HydrophobicContact CD2-CG2 4.4Å; L478-I480 HydrophobicContact CG-CB 4.45Å; L478-I480 PolarHBondContact O-N 2.77Å; L478-I480 VanDerWaalsContact O-N 3.08Å; I480-F482 HydrophobicContact CG1-CD1 4.37Å; I480-V495 HydrophobicContact CD1-CG1 4.05Å; I480-V495 HydrophobicContact CG1-CG1 4.23Å; I480-N496 WeakPolarHBondContact CA-O 3.36Å; I480-I497 HydrophobicContact CB-CG1 4.15Å; I480-I497 HydrophobicContact CD1-CD1 4.24Å; I480-I497 HydrophobicContact CD1-CG1 4.09Å; I480-I497 HydrophobicContact CG1-CG1 3.92Å; I480-L508 HydrophobicContact CD1-CD1 3.91Å
481	I	95.7	Very high	84.3	Confident	71 Å²	71	68.6 Å²	68.6	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.6	173.6	-57.8	176.4	0	0	0	108.1	Y457 N496	Y457-I481 HydrophobicContact CD1-CG2 4.2Å; Y457-I481 HydrophobicContact CE1-CG2 4.34Å; Y457-I481 HydrophobicContact CG-CG2 4.48Å; I481-N496 PolarHBondContact N-O 2.79Å; I481-N496 PolarHBondContact O-N 3.44Å
482	F	97.3	Very high	86.1	Confident	11 Å²	11	71 Å²	71	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.2	173.4	59.3	-94.1	0	0	0	111.8	V447 T456 L460 I480 I493 T494 V495	V447-F482 HydrophobicContact CB-CD1 3.82Å; V447-F482 HydrophobicContact CB-CD2 4.16Å; V447-F482 HydrophobicContact CB-CE1 3.63Å; V447-F482 HydrophobicContact CB-CE2 3.98Å; V447-F482 HydrophobicContact CB-CG 4.07Å; V447-F482 HydrophobicContact CB-CZ 3.7Å; V447-F482 HydrophobicContact CG1-CD1 3.96Å; V447-F482 HydrophobicContact CG1-CE1 4.06Å; V447-F482 HydrophobicContact CG1-CG 4.44Å; V447-F482 HydrophobicContact CG2-CB 4.21Å; V447-F482 HydrophobicContact CG2-CD1 3.93Å; V447-F482 HydrophobicContact CG2-CD2 3.54Å; V447-F482 HydrophobicContact CG2-CE1 4.11Å; V447-F482 HydrophobicContact CG2-CE2 3.73Å; V447-F482 HydrophobicContact CG2-CG 3.63Å; V447-F482 HydrophobicContact CG2-CZ 3.99Å; T456-F482 WeakPolarHBondContact O-CZ 3.4Å; L460-F482 HydrophobicContact CB-CE1 4.26Å; L460-F482 HydrophobicContact CD2-CE1 3.75Å; I480-F482 HydrophobicContact CG1-CD1 4.37Å; F482-I493 HydrophobicContact CB-CD1 3.92Å; F482-I493 HydrophobicContact CD2-CD1 4.05Å; F482-I493 HydrophobicContact CG-CD1 4.43Å; F482-T494 WeakPolarHBondContact CA-O 3.26Å; F482-T494 VanDerWaalsContact CB-O 3.3Å; F482-T494 WeakPolarHBondContact CB-O 3.36Å; F482-V495 HydrophobicContact CB-CB 4.34Å; F482-V495 HydrophobicContact CB-CG1 4.4Å; F482-V495 HydrophobicContact CB-CG2 3.94Å
483	H	95.8	Very high	88	Confident	92 Å²	92	66.3 Å²	66.3	43%	0.426	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.2	177.4	64.7	-83.7	0	0	0	111.1	I493 T494	H483-I493 VanDerWaalsContact O-CD1 3.25Å; H483-I493 WeakPolarHBondContact O-CD1 3.34Å; H483-T494 PolarHBondContact N-O 2.76Å; H483-T494 VanDerWaalsContact N-O 3.13Å; H483-T494 PolarHBondContact O-N 2.74Å
484	V	95.2	Very high	89.9	Confident	67 Å²	67	59 Å²	59	41%	0.406	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.3	175.4	-179	0	0	0	0	108.6	F437 V445 K491 R492 I493	F437-V484 HydrophobicContact CE1-CG1 4.32Å; F437-V484 HydrophobicContact CZ-CG1 3.86Å; V445-V484 HydrophobicContact CB-CG2 3.81Å; V445-V484 HydrophobicContact CG1-CG2 4.34Å; V445-V484 HydrophobicContact CG2-CG1 4.48Å; V445-V484 HydrophobicContact CG2-CG2 3.66Å; V484-K491 HydrophobicContact CG1-CD 4.22Å; V484-R492 WeakPolarHBondContact CA-O 3.33Å; V484-I493 HydrophobicContact CG2-CB 4.4Å; V484-I493 HydrophobicContact CG2-CD1 3.85Å
485	D	93.8	Very high	90.9	Very high	50 Å²	50	56.1 Å²	56.1	27%	0.267	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-179.1	173.9	67.9	-24.2	0	0	0	111.2	K491 R492	D485-K491 WeakPolarHBondContact O-CA 3.43Å; D485-R492 VanDerWaalsContact CG-NE 3.25Å; D485-R492 PolarHBondContact N-O 3.35Å; D485-R492 PolarHBondContact O-N 3.06Å; D485-R492 WeakPolarHBondContact OD1-CD 3.47Å; D485-R492 WeakPolarHBondContact OD1-CG 3.26Å; D485-R492 IonicContact OD1-CZ 2.69Å; D485-R492 IonicContact OD1-NE 3.04Å; D485-R492 PolarHBondContact OD1-NE 3.13Å; D485-R492 IonicContact OD1-NH2 3.29Å; D485-R492 IonicContact OD2-CZ 2.82Å; D485-R492 VanDerWaalsContact OD2-CZ 3.27Å; D485-R492 IonicContact OD2-NE 2.68Å; D485-R492 PolarHBondContact OD2-NE 2.05Å; D485-R492 IonicContact OD2-NH2 3.66Å; D485-R492 PolarHBondContact OD2-NH2 2.89Å
486	G	90.3	Very high	91.8	Very high	51 Å²	51	59.3 Å²	59.3	53%	0.526	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	95.4	178.8	-176.4	0	0	0	0	0	114.9
487	E	86.7	Confident	92.6	Very high	149 Å²	149	57.8 Å²	57.8	70%	0.696	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	163.7	-178.6	-64.2	-176.1	170.3	0	0	112	I489 N490 K491	E487-I489 PolarHBondContact O-N 2.84Å; E487-I489 VanDerWaalsContact O-N 3.17Å; E487-N490 CarbonylContact O-C 3.59Å; E487-N490 PolarHBondContact O-N 3.09Å; E487-K491 WeakPolarHBondContact O-CG 3.38Å; E487-K491 PolarHBondContact O-N 2.93Å
488	E	82.8	Confident	93	Very high	110 Å²	110	54.3 Å²	54.3	51%	0.514	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-46.2	-171.1	-166.3	179.1	176.7	0	0	114.8	G439 R440	G439-E488 CarbonylContact C-O 3.57Å; G439-E488 WeakPolarHBondContact CA-O 3.41Å; G439-E488 PolarHBondContact N-O 3Å; R440-E488 HydrophobicContact CG-CG 4.16Å; R440-E488 PolarHBondContact N-O 3.41Å
489	I	85.1	Confident	93.2	Very high	97 Å²	97	61.2 Å²	61.2	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19.5	-179.1	-58.1	169.1	0	0	0	111.9	R440 E487	R440-I489 HydrophobicContact CG-CG1 4.27Å; E487-I489 PolarHBondContact O-N 2.84Å; E487-I489 VanDerWaalsContact O-N 3.17Å
490	N	88.8	Confident	93.2	Very high	80 Å²	80	58.5 Å²	58.5	43%	0.428	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	45.5	-172.2	-62.8	-43	0	0	0	110.8	K414 E487	K414-N490 WeakPolarHBondContact CE-OD1 3.45Å; K414-N490 PolarHBondContact NZ-OD1 3Å; E487-N490 CarbonylContact O-C 3.59Å; E487-N490 PolarHBondContact O-N 3.09Å
491	K	94.6	Very high	93.1	Very high	52 Å²	52	63 Å²	63	23%	0.226	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	151.9	175.8	-70.9	-163.6	-179	170.7	0	109.7	E436 F437 V484 D485 E487	E436-K491 WeakPolarHBondContact CA-O 3.34Å; F437-K491 HydrophobicContact CD1-CB 4.28Å; F437-K491 HydrophobicContact CD2-CB 4.14Å; F437-K491 HydrophobicContact CE1-CB 3.76Å; F437-K491 HydrophobicContact CE2-CB 3.61Å; F437-K491 HydrophobicContact CE2-CD 4.03Å; F437-K491 HydrophobicContact CE2-CG 4.38Å; F437-K491 HydrophobicContact CG-CB 4.45Å; F437-K491 HydrophobicContact CZ-CB 3.38Å; F437-K491 HydrophobicContact CZ-CD 4.02Å; F437-K491 HydrophobicContact CZ-CG 4.33Å; F437-K491 PolarHBondContact N-O 2.98Å; F437-K491 PolarHBondContact O-N 2.69Å; V484-K491 HydrophobicContact CG1-CD 4.22Å; D485-K491 WeakPolarHBondContact O-CA 3.43Å; E487-K491 WeakPolarHBondContact O-CG 3.38Å; E487-K491 PolarHBondContact O-N 2.93Å
492	R	95.5	Very high	92.8	Very high	113 Å²	113	61.6 Å²	61.6	43%	0.426	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.3	174.3	69.4	-169.7	179.1	-172.1	-1.5	110.5	V434 C435 E436 V484 D485	V434-R492 HydrophobicContact CG1-CB 4.1Å; V434-R492 HydrophobicContact CG1-CG 4.45Å; C435-R492 CarbonylContact O-C 3.57Å; C435-R492 VanDerWaalsContact O-CA 3.28Å; C435-R492 WeakPolarHBondContact O-CA 3.39Å; E436-R492 HydrophobicContact CG-CB 4.27Å; V484-R492 WeakPolarHBondContact CA-O 3.33Å; D485-R492 VanDerWaalsContact CG-NE 3.25Å; D485-R492 PolarHBondContact N-O 3.35Å; D485-R492 PolarHBondContact O-N 3.06Å; D485-R492 WeakPolarHBondContact OD1-CD 3.47Å; D485-R492 WeakPolarHBondContact OD1-CG 3.26Å; D485-R492 IonicContact OD1-CZ 2.69Å; D485-R492 IonicContact OD1-NE 3.04Å; D485-R492 PolarHBondContact OD1-NE 3.13Å; D485-R492 IonicContact OD1-NH2 3.29Å; D485-R492 IonicContact OD2-CZ 2.82Å; D485-R492 VanDerWaalsContact OD2-CZ 3.27Å; D485-R492 IonicContact OD2-NE 2.68Å; D485-R492 PolarHBondContact OD2-NE 2.05Å; D485-R492 IonicContact OD2-NH2 3.66Å; D485-R492 PolarHBondContact OD2-NH2 2.89Å
493	I	96.9	Very high	92.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.4	172	172.1	60.4	0	0	0	107.5	V434 C435 F437 V445 V447 F482 H483 V484 V495 I510	V434-I493 WeakPolarHBondContact CA-O 3.44Å; C435-I493 HydrophobicContact CB-CG2 3.74Å; C435-I493 PolarHBondContact N-O 2.85Å; C435-I493 WeakPolarHBondContact O-CG2 3.25Å; C435-I493 PolarHBondContact O-N 2.96Å; F437-I493 HydrophobicContact CD1-CG2 4.18Å; F437-I493 HydrophobicContact CE1-CB 4.14Å; F437-I493 HydrophobicContact CE1-CG2 4.09Å; V445-I493 HydrophobicContact CG1-CB 4.22Å; V445-I493 HydrophobicContact CG1-CD1 4.28Å; V445-I493 HydrophobicContact CG1-CG1 3.96Å; V445-I493 HydrophobicContact CG1-CG2 4.46Å; V447-I493 HydrophobicContact CG2-CD1 4.27Å; V447-I493 HydrophobicContact CG2-CG1 4.37Å; F482-I493 HydrophobicContact CB-CD1 3.92Å; F482-I493 HydrophobicContact CD2-CD1 4.05Å; F482-I493 HydrophobicContact CG-CD1 4.43Å; H483-I493 VanDerWaalsContact O-CD1 3.25Å; H483-I493 WeakPolarHBondContact O-CD1 3.34Å; V484-I493 HydrophobicContact CG2-CB 4.4Å; V484-I493 HydrophobicContact CG2-CD1 3.85Å; I493-V495 HydrophobicContact CD1-CG2 4.33Å; I493-V495 HydrophobicContact CG1-CG2 3.95Å; I493-I510 HydrophobicContact CG2-CD1 4.24Å; I493-I510 HydrophobicContact CG2-CG2 4.11Å
494	T	97.4	Very high	91.8	Very high	20 Å²	20	62.6 Å²	62.6	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.5	174.3	-57.7	0	0	0	0	108.4	T433 V434 F482 H483	T433-T494 WeakPolarHBondContact O-CA 3.39Å; V434-T494 HydrophobicContact CG2-CG2 4.12Å; F482-T494 WeakPolarHBondContact CA-O 3.26Å; F482-T494 VanDerWaalsContact CB-O 3.3Å; F482-T494 WeakPolarHBondContact CB-O 3.36Å; H483-T494 PolarHBondContact N-O 2.76Å; H483-T494 VanDerWaalsContact N-O 3.13Å; H483-T494 PolarHBondContact O-N 2.74Å
495	V	97.5	Very high	91.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.2	176.9	-175	0	0	0	0	108.7	G432 T433 V447 I480 F482 I493 L508 I510	G432-V495 CarbonylContact C-O 3.49Å; G432-V495 WeakPolarHBondContact CA-O 3.18Å; T433-V495 HydrophobicContact CG2-CB 3.95Å; T433-V495 HydrophobicContact CG2-CG2 4.42Å; T433-V495 PolarHBondContact N-O 2.92Å; T433-V495 PolarHBondContact O-N 3.04Å; V447-V495 HydrophobicContact CG1-CG1 4.43Å; V447-V495 HydrophobicContact CG1-CG2 4.44Å; V447-V495 HydrophobicContact CG2-CG2 4.18Å; I480-V495 HydrophobicContact CD1-CG1 4.05Å; I480-V495 HydrophobicContact CG1-CG1 4.23Å; F482-V495 HydrophobicContact CB-CB 4.34Å; F482-V495 HydrophobicContact CB-CG1 4.4Å; F482-V495 HydrophobicContact CB-CG2 3.94Å; I493-V495 HydrophobicContact CD1-CG2 4.33Å; I493-V495 HydrophobicContact CG1-CG2 3.95Å; V495-L508 HydrophobicContact CG1-CD1 4.32Å; V495-L508 HydrophobicContact CG1-CD2 4.33Å; V495-I510 HydrophobicContact CG2-CD1 3.87Å; V495-I510 HydrophobicContact CG2-CG1 4.41Å
496	N	97	Very high	91.1	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.7	177.2	-68.9	-38.3	0	0	0	110	F431 G432 I480 I481	F431-N496 CarbonylContact O-C 3.56Å; F431-N496 WeakPolarHBondContact O-CA 3.16Å; G432-N496 WeakPolarHBondContact CA-OD1 3.28Å; I480-N496 WeakPolarHBondContact CA-O 3.36Å; I481-N496 PolarHBondContact N-O 2.79Å; I481-N496 PolarHBondContact O-N 3.44Å
497	I	95.4	Very high	91.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.3	172.6	-54.6	174.2	0	0	0	107.2	N430 F431 L478 D479 I480 L500 L508 L525	N430-I497 CarbonylContact C-O 3.34Å; N430-I497 VanDerWaalsContact CA-O 3.3Å; N430-I497 WeakPolarHBondContact CA-O 2.99Å; F431-I497 HydrophobicContact CB-CB 4.39Å; F431-I497 HydrophobicContact CD1-CD1 4.13Å; F431-I497 HydrophobicContact CD1-CG1 4.43Å; F431-I497 PolarHBondContact N-O 3.3Å; F431-I497 PolarHBondContact O-N 2.78Å; L478-I497 HydrophobicContact CD1-CG2 3.56Å; L478-I497 HydrophobicContact CD2-CD1 4.46Å; L478-I497 HydrophobicContact CG-CG2 3.96Å; D479-I497 WeakPolarHBondContact O-CA 3.1Å; I480-I497 HydrophobicContact CB-CG1 4.15Å; I480-I497 HydrophobicContact CD1-CD1 4.24Å; I480-I497 HydrophobicContact CD1-CG1 4.09Å; I480-I497 HydrophobicContact CG1-CG1 3.92Å; I497-L500 HydrophobicContact CG2-CD1 4.29Å; I497-L500 HydrophobicContact CG2-CD2 3.74Å; I497-L500 HydrophobicContact CG2-CG 3.85Å; I497-L508 HydrophobicContact CD1-CD2 4.41Å; I497-L525 HydrophobicContact CD1-CD2 3.8Å
498	T	94.2	Very high	91.4	Very high	43 Å²	43	49 Å²	49	26%	0.264	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	147.2	-176.1	86.7	0	0	0	0	112.7	N430 D479 L500	N430-T498 VanDerWaalsContact OD1-CA 3.26Å; N430-T498 WeakPolarHBondContact OD1-CA 3.27Å; D479-T498 PolarHBondContact O-N 2.79Å; D479-T498 PolarHBondContact OD2-OG1 2.69Å; T498-L500 PolarHBondContact O-N 3Å
499	K	91.2	Very high	92	Very high	152 Å²	152	44 Å²	44	66%	0.661	21%	0.214	S	C	*	.	S	Bend	trans	51.1	54.9	171.7	-57.9	179.6	-179.5	179.2	0	113.4	N430 K501	N430-K499 PolarHBondContact OD1-N 3.34Å; K499-K501 PolarHBondContact O-N 2.95Å
500	L	92.5	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.			trans	-60.1	132.4	-179.9	-83	158.1	0	0	0	111.5	V425 G428 N429 F431 L478 I497 T498 Q504 L525 V527	V425-L500 HydrophobicContact CB-CD1 3.97Å; V425-L500 HydrophobicContact CG1-CD1 3.78Å; V425-L500 HydrophobicContact CG2-CD1 3.99Å; G428-L500 PolarHBondContact N-O 2.79Å; N429-L500 PolarHBondContact O-N 2.02Å; F431-L500 HydrophobicContact CB-CD1 3.9Å; L478-L500 HydrophobicContact CD1-CD2 3.76Å; I497-L500 HydrophobicContact CG2-CD1 4.29Å; I497-L500 HydrophobicContact CG2-CD2 3.74Å; I497-L500 HydrophobicContact CG2-CG 3.85Å; T498-L500 PolarHBondContact O-N 3Å; L500-Q504 HydrophobicContact CD2-CB 4.24Å; L500-L525 HydrophobicContact CD1-CD2 3.97Å; L500-L525 HydrophobicContact CD2-CD2 4.13Å; L500-V527 HydrophobicContact CB-CG1 4.46Å; L500-V527 HydrophobicContact CB-CG2 4.05Å; L500-V527 HydrophobicContact CD2-CG2 4.06Å
501	K	91.9	Very high	92.8	Very high	94 Å²	94	37 Å²	37	41%	0.409	18%	0.175	S	C	.	.			trans	-110.6	159.7	-179	-60.2	179	-175.3	172.5	0	111.3	Q474 K499 Q504	Q474-K501 VanDerWaalsContact OE1-CB 3.28Å; K499-K501 PolarHBondContact O-N 2.95Å; K501-Q504 HydrophobicContact CB-CG 4.28Å; K501-Q504 VanDerWaalsContact O-CB 3.28Å; K501-Q504 WeakPolarHBondContact O-CB 3.29Å; K501-Q504 WeakPolarHBondContact O-CG 3.34Å; K501-Q504 PolarHBondContact O-N 2.87Å; K501-Q504 VanDerWaalsContact O-N 3.12Å
502	L	88.7	Confident	92.9	Very high	42 Å²	42	34.6 Å²	34.6	22%	0.22	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143.2	173.1	-66.7	174	0	0	0	112.1	E427 Q474 Q504 V527 P529	E427-L502 HydrophobicContact CB-CD2 4.45Å; E427-L502 HydrophobicContact CG-CG 4.22Å; E427-L502 WeakPolarHBondContact OE1-CG 3.39Å; Q474-L502 PolarHBondContact NE2-O 3.07Å; Q474-L502 PolarHBondContact OE1-O 2.81Å; L502-Q504 PolarHBondContact O-N 3.06Å; L502-V527 HydrophobicContact CD2-CG1 4.43Å; L502-P529 HydrophobicContact CD1-CB 4.36Å; L502-P529 HydrophobicContact CD2-CB 3.73Å; L502-P529 HydrophobicContact CD2-CG 4.42Å
503	N	83.6	Confident	92.7	Very high	120 Å²	120	30.9 Å²	30.9	64%	0.642	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	12.9	-173.8	-43.3	-70.5	0	0	0	115.2	D505	N503-D505 VanDerWaalsContact C-N 3.29Å
504	Q	88.1	Confident	92.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.019	15%	0.153	C	C	.	.			trans	-94.3	24	164.4	-61.9	-173.9	-41.3	0	0	112.5	Q474 L478 L500 K501 L502 C506 V527	Q474-Q504 HydrophobicContact CB-CG 3.84Å; Q474-Q504 PolarHBondContact O-NE2 2.69Å; L478-Q504 HydrophobicContact CD1-CB 4.35Å; L500-Q504 HydrophobicContact CD2-CB 4.24Å; K501-Q504 HydrophobicContact CB-CG 4.28Å; K501-Q504 VanDerWaalsContact O-CB 3.28Å; K501-Q504 WeakPolarHBondContact O-CB 3.29Å; K501-Q504 WeakPolarHBondContact O-CG 3.34Å; K501-Q504 PolarHBondContact O-N 2.87Å; K501-Q504 VanDerWaalsContact O-N 3.12Å; L502-Q504 PolarHBondContact O-N 3.06Å; Q504-C506 PolarHBondContact O-N 3.39Å; Q504-V527 HydrophobicContact CB-CG2 4.41Å
505	D	87.3	Confident	92.1	Very high	23 Å²	23	34.3 Å²	34.3	12%	0.123	17%	0.173	C	C	.	.			trans	-56.4	127.6	168.3	-65.5	-10	0	0	0	108.9	N503 L525 K526 V527 K568	N503-D505 VanDerWaalsContact C-N 3.29Å; D505-L525 WeakPolarHBondContact CA-O 3.45Å; D505-K526 HydrophobicContact CB-CD 4.02Å; D505-K526 WeakPolarHBondContact OD1-CA 3.29Å; D505-V527 PolarHBondContact OD1-N 2.96Å; D505-K568 IonicContact OD2-NZ 3.25Å; D505-K568 PolarHBondContact OD2-NZ 2.9Å
506	C	86.9	Confident	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157.8	-177.5	66.1	0	0	0	0	112.9	V449 L475 Q504 L525	V449-C506 HydrophobicContact CG1-CB 4.12Å; L475-C506 HydrophobicContact CD1-CB 3.85Å; L475-C506 HydrophobicContact CD2-CB 4.28Å; Q504-C506 PolarHBondContact O-N 3.39Å; C506-L525 PolarHBondContact N-O 2.91Å; C506-L525 PolarHBondContact O-N 3.48Å
507	E	90.5	Very high	91.3	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.2	159.3	-170.4	-80.4	144.9	0	0	108.8	V157 I158 V449 A450 S509 S522 T523	V157-E507 WeakPolarHBondContact O-CG 3.48Å; I158-E507 HydrophobicContact CG2-CG 4.04Å; V449-E507 WeakPolarHBondContact CA-O 3.36Å; A450-E507 PolarHBondContact N-O 3.4Å; E507-S509 WeakPolarHBondContact OE1-CB 3.43Å; E507-S509 PolarHBondContact OE1-N 2.52Å; E507-S509 PolarHBondContact OE1-OG 2.94Å; E507-S509 PolarHBondContact OE2-OG 3.19Å; E507-S509 VanDerWaalsContact OE2-OG 3.05Å; E507-S522 WeakPolarHBondContact OE1-CB 3.45Å; E507-T523 WeakPolarHBondContact CA-O 2.84Å
508	L	93.2	Very high	91.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.2	172.7	171.2	76.2	0	0	0	108.6	L419 F431 V447 G448 V449 I480 V495 I497 S522 T523	L419-L508 HydrophobicContact CD2-CD2 4.2Å; F431-L508 HydrophobicContact CD1-CD2 4.22Å; F431-L508 HydrophobicContact CE1-CD2 3.5Å; F431-L508 HydrophobicContact CZ-CD2 4.33Å; V447-L508 HydrophobicContact CG1-CD1 3.9Å; G448-L508 WeakPolarHBondContact O-CA 3.45Å; G448-L508 WeakPolarHBondContact O-CD1 3.36Å; V449-L508 HydrophobicContact CG2-CD1 4.13Å; I480-L508 HydrophobicContact CD1-CD1 3.91Å; V495-L508 HydrophobicContact CG1-CD1 4.32Å; V495-L508 HydrophobicContact CG1-CD2 4.33Å; I497-L508 HydrophobicContact CD1-CD2 4.41Å; L508-S522 CarbonylContact O-C 3.54Å; L508-S522 WeakPolarHBondContact O-CA 3.3Å; L508-T523 HydrophobicContact CB-CG2 3.73Å; L508-T523 HydrophobicContact CD2-CG2 3.95Å; L508-T523 HydrophobicContact CG-CG2 4.21Å; L508-T523 PolarHBondContact N-O 3.26Å; L508-T523 PolarHBondContact O-N 2.89Å
509	S	94.7	Very high	91.2	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.7	179.4	31.1	0	0	0	0	112.2	V447 G448 E507 I521	V447-S509 WeakPolarHBondContact CA-O 3.23Å; G448-S509 PolarHBondContact N-O 2.69Å; G448-S509 PolarHBondContact O-N 2.88Å; E507-S509 WeakPolarHBondContact OE1-CB 3.43Å; E507-S509 PolarHBondContact OE1-N 2.52Å; E507-S509 PolarHBondContact OE1-OG 2.94Å; E507-S509 PolarHBondContact OE2-OG 3.19Å; E507-S509 VanDerWaalsContact OE2-OG 3.05Å; S509-I521 CarbonylContact C-O 3.55Å; S509-I521 VanDerWaalsContact CA-O 3.29Å; S509-I521 WeakPolarHBondContact CA-O 3.33Å
510	I	96.5	Very high	91.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	167.4	-57.1	172.6	0	0	0	107.3	F413 L419 V445 Y446 V447 I493 V495 R520 I521	F413-I510 HydrophobicContact CE1-CB 4.32Å; F413-I510 HydrophobicContact CE1-CG2 3.8Å; F413-I510 HydrophobicContact CZ-CB 4.05Å; F413-I510 HydrophobicContact CZ-CG2 3.72Å; L419-I510 HydrophobicContact CD1-CB 4.37Å; L419-I510 HydrophobicContact CD1-CD1 3.89Å; L419-I510 HydrophobicContact CD1-CG1 3.88Å; L419-I510 HydrophobicContact CD2-CD1 4.49Å; L419-I510 HydrophobicContact CG-CD1 4.24Å; V445-I510 HydrophobicContact CG1-CG2 3.86Å; Y446-I510 WeakPolarHBondContact O-CA 3.25Å; V447-I510 HydrophobicContact CG2-CG1 4.48Å; I493-I510 HydrophobicContact CG2-CD1 4.24Å; I493-I510 HydrophobicContact CG2-CG2 4.11Å; V495-I510 HydrophobicContact CG2-CD1 3.87Å; V495-I510 HydrophobicContact CG2-CG1 4.41Å; I510-R520 WeakPolarHBondContact O-CA 3.47Å; I510-I521 HydrophobicContact CB-CG1 4.2Å; I510-I521 PolarHBondContact N-O 3.37Å; I510-I521 PolarHBondContact O-N 2.94Å
511	R	95.4	Very high	91.4	Very high	31 Å²	31	25.2 Å²	25.2	12%	0.117	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.7	178.6	-177.2	166.4	64.4	81.3	8.8	111.3	Y446 E453 S519 R520	Y446-R511 PolarHBondContact N-O 3.45Å; Y446-R511 PolarHBondContact O-N 3.33Å; E453-R511 IonicContact OE1-NE 3.82Å; E453-R511 PolarHBondContact OE1-NE 3.25Å; E453-R511 IonicContact OE2-CZ 3.28Å; E453-R511 IonicContact OE2-NE 3.27Å; E453-R511 PolarHBondContact OE2-NE 3.37Å; E453-R511 IonicContact OE2-NH2 2.65Å; E453-R511 PolarHBondContact OE2-NH2 3.26Å; R511-S519 CarbonylContact C-O 3.56Å; R511-S519 WeakPolarHBondContact CA-O 3.5Å; R511-R520 HydrophobicContact CB-CB 4.36Å; R511-R520 HydrophobicContact CB-CG 4.46Å; R511-R520 VanDerWaalsContact CD-CZ 3.47Å; R511-R520 VanDerWaalsContact CD-NH2 3.32Å; R511-R520 HydrophobicContact CG-CB 4.32Å
512	L	95.4	Very high	91.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.1	170.1	-51.3	177.4	0	0	0	108.9	P411 F413 F437 T443 V445 Q518 S519	P411-L512 HydrophobicContact CB-CB 3.78Å; P411-L512 HydrophobicContact CB-CD1 4.16Å; P411-L512 HydrophobicContact CG-CB 3.69Å; F413-L512 HydrophobicContact CD1-CD1 4Å; F413-L512 HydrophobicContact CD1-CG 4.47Å; F413-L512 HydrophobicContact CD2-CD1 4.03Å; F413-L512 HydrophobicContact CE1-CD1 3.84Å; F413-L512 HydrophobicContact CE1-CD2 3.9Å; F413-L512 HydrophobicContact CE1-CG 3.81Å; F413-L512 HydrophobicContact CE2-CD1 3.85Å; F413-L512 HydrophobicContact CE2-CG 3.83Å; F413-L512 HydrophobicContact CG-CD1 4.11Å; F413-L512 HydrophobicContact CZ-CD1 3.77Å; F413-L512 HydrophobicContact CZ-CD2 3.93Å; F413-L512 HydrophobicContact CZ-CG 3.46Å; F413-L512 VanDerWaalsContact CZ-CG 3.46Å; F437-L512 HydrophobicContact CB-CD1 3.53Å; F437-L512 HydrophobicContact CB-CD2 4.3Å; F437-L512 HydrophobicContact CD1-CD2 4.12Å; F437-L512 HydrophobicContact CD2-CD1 4.04Å; F437-L512 HydrophobicContact CD2-CD2 3.8Å; F437-L512 HydrophobicContact CE1-CD2 4.38Å; F437-L512 HydrophobicContact CE2-CD2 4.07Å; F437-L512 HydrophobicContact CG-CD1 3.93Å; F437-L512 HydrophobicContact CG-CD2 3.82Å; F437-L512 HydrophobicContact CZ-CD2 4.36Å; T443-L512 HydrophobicContact CG2-CB 3.88Å; T443-L512 HydrophobicContact CG2-CD2 4.4Å; V445-L512 HydrophobicContact CB-CD2 4.49Å; V445-L512 HydrophobicContact CG1-CD2 4.31Å; V445-L512 HydrophobicContact CG2-CD2 3.8Å; L512-Q518 CarbonylContact O-C 3.58Å; L512-Q518 WeakPolarHBondContact O-CA 3.38Å; L512-Q518 WeakPolarHBondContact O-CB 3.34Å; L512-S519 PolarHBondContact N-O 3.16Å; L512-S519 PolarHBondContact O-N 3.4Å
513	H	93.3	Very high	91.6	Very high	36 Å²	36	20.5 Å²	20.5	17%	0.167	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132	-177.5	178.7	83.7	0	0	0	111.3	V93 T443 V444 Y446	V93-H513 WeakPolarHBondContact CG1-CE1 3.26Å; T443-H513 CarbonylContact C-O 3.57Å; T443-H513 WeakPolarHBondContact CA-O 3.06Å; V444-H513 PolarHBondContact N-O 2.85Å; V444-H513 PolarHBondContact O-N 3.48Å; Y446-H513 HydrophobicContact CD2-CB 4.19Å; Y446-H513 HydrophobicContact CE2-CB 3.89Å
514	S	91.9	Very high	92	Very high	4 Å²	4	15.2 Å²	15.2	3%	0.028	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	176.4	171.2	80.3	0	0	0	0	110.6	V93 Y516 G517	V93-S514 WeakPolarHBondContact CG1-O 3.21Å; S514-Y516 PolarHBondContact O-N 2.88Å; S514-Y516 VanDerWaalsContact O-N 3.11Å; S514-Y516 PolarHBondContact OG-N 2.86Å; S514-Y516 VanDerWaalsContact OG-N 3.16Å; S514-G517 PolarHBondContact N-O 2.78Å; S514-G517 PolarHBondContact O-N 3.05Å
515	T	88.6	Confident	92.2	Very high	87 Å²	87	15 Å²	15	53%	0.534	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.5	174.2	55.9	0	0	0	0	113.5
516	Y	88.7	Confident	92.4	Very high	48 Å²	48	14.3 Å²	14.3	19%	0.188	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	3.7	-176.9	-53.9	-58.7	0	0	0	113.5	V327 K406 V408 W441 S514	V327-Y516 HydrophobicContact CG1-CD1 4.31Å; V327-Y516 HydrophobicContact CG1-CE1 3.82Å; K406-Y516 WeakPolarHBondContact CE-OH 3.46Å; K406-Y516 PolarHBondContact NZ-OH 3.09Å; V408-Y516 HydrophobicContact CB-CD1 4.08Å; V408-Y516 HydrophobicContact CB-CD2 3.87Å; V408-Y516 HydrophobicContact CB-CE1 4.39Å; V408-Y516 HydrophobicContact CB-CE2 4.19Å; V408-Y516 HydrophobicContact CB-CG 3.81Å; V408-Y516 HydrophobicContact CG1-CD1 4.15Å; V408-Y516 HydrophobicContact CG1-CD2 3.86Å; V408-Y516 HydrophobicContact CG1-CE1 3.96Å; V408-Y516 HydrophobicContact CG1-CE2 3.64Å; V408-Y516 HydrophobicContact CG1-CG 4.11Å; V408-Y516 HydrophobicContact CG2-CD1 3.86Å; V408-Y516 HydrophobicContact CG2-CE1 4.31Å; V408-Y516 HydrophobicContact CG2-CG 3.98Å; W441-Y516 HydrophobicContact CB-CD2 3.74Å; W441-Y516 HydrophobicContact CB-CE2 3.91Å; W441-Y516 HydrophobicContact CD2-CD2 4.05Å; W441-Y516 AromaticContact CD2-CE2 3.85Å; W441-Y516 HydrophobicContact CD2-CE2 3.85Å; W441-Y516 HydrophobicContact CE3-CE2 4.03Å; W441-Y516 AromaticContact CG-CD2 3.63Å; W441-Y516 HydrophobicContact CG-CD2 3.63Å; W441-Y516 AromaticContact CG-CE2 3.83Å; W441-Y516 HydrophobicContact CG-CE2 3.83Å; S514-Y516 PolarHBondContact O-N 2.88Å; S514-Y516 VanDerWaalsContact O-N 3.11Å; S514-Y516 PolarHBondContact OG-N 2.86Å; S514-Y516 VanDerWaalsContact OG-N 3.16Å
517	G	90	Very high	92.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.1	-162.9	171.8	0	0	0	0	0	113.7	P411 S514	P411-G517 WeakPolarHBondContact CD-O 3.47Å; S514-G517 PolarHBondContact N-O 2.78Å; S514-G517 PolarHBondContact O-N 3.05Å
518	Q	91.9	Very high	92.9	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	163.4	-179	62	179.9	13.9	0	0	114.2	Q53 E162 L512	Q53-Q518 VanDerWaalsContact CB-O 3.3Å; Q53-Q518 WeakPolarHBondContact CB-O 3.28Å; Q53-Q518 PolarHBondContact N-O 2.93Å; Q53-Q518 VanDerWaalsContact N-O 3.14Å; E162-Q518 PolarHBondContact OE1-NE2 2.9Å; E162-Q518 PolarHBondContact OE2-NE2 3.38Å; L512-Q518 CarbonylContact O-C 3.58Å; L512-Q518 WeakPolarHBondContact O-CA 3.38Å; L512-Q518 WeakPolarHBondContact O-CB 3.34Å
519	S	94.1	Very high	93	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.2	169.5	170.6	0	0	0	0	109.1	N51 N161 P411 F413 R511 L512	N51-S519 PolarHBondContact O-OG 2.88Å; N161-S519 VanDerWaalsContact OD1-CA 3.28Å; N161-S519 WeakPolarHBondContact OD1-CA 3.41Å; P411-S519 WeakPolarHBondContact O-CB 3.28Å; F413-S519 WeakPolarHBondContact CD2-OG 3.25Å; F413-S519 WeakPolarHBondContact CE2-OG 3.09Å; R511-S519 CarbonylContact C-O 3.56Å; R511-S519 WeakPolarHBondContact CA-O 3.5Å; L512-S519 PolarHBondContact N-O 3.16Å; L512-S519 PolarHBondContact O-N 3.4Å
520	R	94.1	Very high	92.9	Very high	13 Å²	13	14.7 Å²	14.7	5%	0.049	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.3	179.5	179.6	-177.8	-80	129.1	-15.3	109.3	E159 S160 N161 E453 I510 R511	E159-R520 VanDerWaalsContact CG-NH1 3.29Å; E159-R520 WeakPolarHBondContact O-CD 3.5Å; E159-R520 IonicContact OE1-CZ 3.05Å; E159-R520 IonicContact OE1-NH1 3.72Å; E159-R520 PolarHBondContact OE1-NH1 3.18Å; E159-R520 IonicContact OE1-NH2 3.76Å; E159-R520 IonicContact OE2-CZ 3.87Å; E159-R520 IonicContact OE2-NH1 3.03Å; E159-R520 IonicContact OE2-NH2 2.88Å; E159-R520 PolarHBondContact OE2-NH2 3.27Å; S160-R520 PolarHBondContact O-NH1 3.28Å; N161-R520 PolarHBondContact ND2-O 3.06Å; N161-R520 VanDerWaalsContact ND2-O 3.07Å; N161-R520 PolarHBondContact OD1-N 2.81Å; E453-R520 IonicContact OE1-CZ 3.7Å; E453-R520 IonicContact OE1-NE 2.78Å; E453-R520 PolarHBondContact OE1-NE 3.1Å; E453-R520 IonicContact OE1-NH2 3.68Å; E453-R520 PolarHBondContact OE1-NH2 3.17Å; E453-R520 IonicContact OE2-NH2 2.59Å; I510-R520 WeakPolarHBondContact O-CA 3.47Å; R511-R520 HydrophobicContact CB-CB 4.36Å; R511-R520 HydrophobicContact CB-CG 4.46Å; R511-R520 VanDerWaalsContact CD-CZ 3.47Å; R511-R520 VanDerWaalsContact CD-NH2 3.32Å; R511-R520 HydrophobicContact CG-CB 4.32Å
521	I	94.4	Very high	92.9	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.056	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154.6	167.6	56.6	174.4	0	0	0	108.8	F413 P416 C418 L419 S509 I510	F413-I521 HydrophobicContact CD1-CD1 3.77Å; F413-I521 HydrophobicContact CD1-CG1 4.49Å; F413-I521 HydrophobicContact CD2-CB 4.45Å; F413-I521 HydrophobicContact CD2-CD1 3.9Å; F413-I521 HydrophobicContact CD2-CG1 3.99Å; F413-I521 HydrophobicContact CD2-CG2 3.69Å; F413-I521 HydrophobicContact CE1-CD1 3.71Å; F413-I521 HydrophobicContact CE1-CG1 4.09Å; F413-I521 HydrophobicContact CE2-CB 4.22Å; F413-I521 HydrophobicContact CE2-CD1 3.88Å; F413-I521 HydrophobicContact CE2-CG1 3.56Å; F413-I521 HydrophobicContact CE2-CG2 3.87Å; F413-I521 HydrophobicContact CG-CD1 3.84Å; F413-I521 HydrophobicContact CG-CG1 4.43Å; F413-I521 HydrophobicContact CG-CG2 4.45Å; F413-I521 HydrophobicContact CZ-CD1 3.76Å; F413-I521 HydrophobicContact CZ-CG1 3.59Å; P416-I521 HydrophobicContact CB-CG2 4.21Å; C418-I521 WeakPolarHBondContact SG-CD1 3.4Å; L419-I521 HydrophobicContact CB-CD1 4.14Å; L419-I521 HydrophobicContact CD1-CB 4.45Å; L419-I521 HydrophobicContact CD1-CD1 3.9Å; L419-I521 HydrophobicContact CD1-CG1 3.75Å; L419-I521 HydrophobicContact CG-CD1 3.97Å; L419-I521 HydrophobicContact CG-CG1 4.35Å; S509-I521 CarbonylContact C-O 3.55Å; S509-I521 VanDerWaalsContact CA-O 3.29Å; S509-I521 WeakPolarHBondContact CA-O 3.33Å; I510-I521 HydrophobicContact CB-CG1 4.2Å; I510-I521 PolarHBondContact N-O 3.37Å; I510-I521 PolarHBondContact O-N 2.94Å
522	S	93.1	Very high	92.8	Very high	35 Å²	35	17.3 Å²	17.3	25%	0.245	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.9	-174.7	50.5	0	0	0	0	111.5	E507 L508	E507-S522 WeakPolarHBondContact OE1-CB 3.45Å; L508-S522 CarbonylContact O-C 3.54Å; L508-S522 WeakPolarHBondContact O-CA 3.3Å
523	T	92.7	Very high	92.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.6	169.4	-176.4	0	0	0	0	110.2	L419 K420 F431 E507 L508	L419-T523 HydrophobicContact CD2-CG2 3.84Å; K420-T523 WeakPolarHBondContact O-CA 3.37Å; K420-T523 WeakPolarHBondContact O-CB 3.17Å; K420-T523 PolarHBondContact O-OG1 2.56Å; F431-T523 HydrophobicContact CZ-CG2 4.48Å; E507-T523 WeakPolarHBondContact CA-O 2.84Å; L508-T523 HydrophobicContact CB-CG2 3.73Å; L508-T523 HydrophobicContact CD2-CG2 3.95Å; L508-T523 HydrophobicContact CG-CG2 4.21Å; L508-T523 PolarHBondContact N-O 3.26Å; L508-T523 PolarHBondContact O-N 2.89Å
524	S	91.8	Very high	92.7	Very high	9 Å²	9	21.5 Å²	21.5	6%	0.063	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.9	163.2	-163.9	0	0	0	0	108.9	E421 F423 K526	E421-S524 PolarHBondContact O-N 2.87Å; F423-S524 PolarHBondContact N-O 3.2Å; S524-K526 VanDerWaalsContact OG-CE 3.26Å; S524-K526 WeakPolarHBondContact OG-CE 3.39Å
525	L	92	Very high	92.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.5	176.4	-169.9	67.4	0	0	0	109	F423 V425 F431 I497 L500 D505 C506	F423-L525 HydrophobicContact CB-CD1 4.18Å; F423-L525 HydrophobicContact CD1-CD1 4.1Å; V425-L525 HydrophobicContact CG2-CD1 3.52Å; V425-L525 HydrophobicContact CG2-CG 4.45Å; F431-L525 HydrophobicContact CB-CD1 4.32Å; F431-L525 HydrophobicContact CD1-CD1 4.44Å; F431-L525 HydrophobicContact CD2-CD1 3.78Å; F431-L525 HydrophobicContact CE2-CD1 4.18Å; F431-L525 HydrophobicContact CG-CD1 3.91Å; F431-L525 HydrophobicContact CG-CD2 4.47Å; I497-L525 HydrophobicContact CD1-CD2 3.8Å; L500-L525 HydrophobicContact CD1-CD2 3.97Å; L500-L525 HydrophobicContact CD2-CD2 4.13Å; D505-L525 WeakPolarHBondContact CA-O 3.45Å; C506-L525 PolarHBondContact N-O 2.91Å; C506-L525 PolarHBondContact O-N 3.48Å
526	K	91.4	Very high	93	Very high	9 Å²	9	21.4 Å²	21.4	4%	0.039	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.1	177.6	-53.1	-64.8	-166.9	-177.7	0	110.7	S19 N156 L422 F423 Y424 V425 D505 S524 F569	S19-K526 VanDerWaalsContact O-CE 3.29Å; S19-K526 WeakPolarHBondContact O-CE 3.19Å; S19-K526 PolarHBondContact O-NZ 3.39Å; N156-K526 PolarHBondContact OD1-NZ 3.27Å; L422-K526 HydrophobicContact CD1-CG 3.81Å; F423-K526 PolarHBondContact O-N 2.84Å; Y424-K526 WeakPolarHBondContact CA-O 3.46Å; Y424-K526 HydrophobicContact CD1-CB 3.87Å; Y424-K526 HydrophobicContact CD1-CG 4.38Å; Y424-K526 HydrophobicContact CE1-CB 4.07Å; Y424-K526 HydrophobicContact CE1-CG 4.21Å; V425-K526 PolarHBondContact N-O 2.91Å; D505-K526 HydrophobicContact CB-CD 4.02Å; D505-K526 WeakPolarHBondContact OD1-CA 3.29Å; S524-K526 VanDerWaalsContact OG-CE 3.26Å; S524-K526 WeakPolarHBondContact OG-CE 3.39Å; K526-F569 HydrophobicContact CB-CD1 4.48Å; K526-F569 HydrophobicContact CB-CE1 3.9Å
527	V	93	Very high	93.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.4	179.2	-172.4	0	0	0	0	109.1	V425 E427 L500 L502 Q504 D505 F569	V425-V527 CarbonylContact O-C 3.48Å; V425-V527 WeakPolarHBondContact O-CA 3.47Å; E427-V527 HydrophobicContact CB-CG1 4.08Å; L500-V527 HydrophobicContact CB-CG1 4.46Å; L500-V527 HydrophobicContact CB-CG2 4.05Å; L500-V527 HydrophobicContact CD2-CG2 4.06Å; L502-V527 HydrophobicContact CD2-CG1 4.43Å; Q504-V527 HydrophobicContact CB-CG2 4.41Å; D505-V527 PolarHBondContact OD1-N 2.96Å; V527-F569 VanDerWaalsContact O-CZ 3.32Å; V527-F569 WeakPolarHBondContact O-CZ 3.46Å
528	V	94.7	Very high	93.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.3	-179.5	-178.6	0	0	0	0	109.1	Y424 V425 M426 E427 F569 I571 I729	Y424-V528 HydrophobicContact CD1-CG2 4.48Å; Y424-V528 HydrophobicContact CD2-CG2 4.22Å; Y424-V528 HydrophobicContact CG-CG2 3.94Å; V425-V528 PolarHBondContact O-N 3Å; M426-V528 CarbonylContact C-O 3.57Å; M426-V528 HydrophobicContact CE-CG1 4.2Å; M426-V528 HydrophobicContact SD-CB 3.82Å; M426-V528 HydrophobicContact SD-CG1 3.71Å; E427-V528 PolarHBondContact N-O 2.89Å; V528-F569 HydrophobicContact CG2-CD1 3.74Å; V528-F569 HydrophobicContact CG2-CE1 3.83Å; V528-F569 HydrophobicContact CG2-CG 4.29Å; V528-F569 HydrophobicContact CG2-CZ 4.47Å; V528-I571 HydrophobicContact CG1-CD1 3.68Å; V528-I571 HydrophobicContact CG2-CD1 4.06Å; V528-I729 HydrophobicContact CG2-CD1 4.33Å
529	P	94.8	Very high	93.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-62.6	142.7	178.2	21.7	-28.9	0	0	0	112.1	M426 L502 I561 W565 F569	M426-P529 WeakPolarHBondContact CE-O 3.22Å; L502-P529 HydrophobicContact CD1-CB 4.36Å; L502-P529 HydrophobicContact CD2-CB 3.73Å; L502-P529 HydrophobicContact CD2-CG 4.42Å; P529-I561 HydrophobicContact CB-CD1 3.91Å; P529-I561 HydrophobicContact CG-CD1 4.23Å; P529-W565 PolarHBondContact O-NE1 3.3Å; P529-F569 HydrophobicContact CG-CE2 4.48Å
530	K	94.4	Very high	93.2	Very high	20 Å²	20	30 Å²	30	9%	0.087	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-67	158.4	169.3	-77.2	-168.4	-174.8	-165.1	0	111.2	M426 E427 Q532 E735 L740	M426-K530 HydrophobicContact CE-CG 4.27Å; E427-K530 HydrophobicContact CB-CG 4.25Å; E427-K530 WeakPolarHBondContact O-CE 3.15Å; E427-K530 PolarHBondContact OE2-N 2.76Å; K530-Q532 PolarHBondContact O-N 2.02Å; K530-E735 IonicContact NZ-OE1 3.75Å; K530-E735 PolarHBondContact NZ-OE1 2.99Å; K530-E735 IonicContact NZ-OE2 3.98Å; K530-L740 HydrophobicContact CB-CD2 4.16Å; K530-L740 HydrophobicContact CD-CD2 4.21Å
531	P	94.6	Very high	93.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.019	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-56	138.2	172.4	-24.1	33.8	0	0	0	112.4	L557 W565 I690 Y730 L740	P531-L557 HydrophobicContact CB-CD2 3.95Å; P531-W565 HydrophobicContact CB-CH2 3.94Å; P531-W565 HydrophobicContact CB-CZ2 4.38Å; P531-W565 HydrophobicContact CG-CH2 3.95Å; P531-W565 HydrophobicContact CG-CZ2 4.16Å; P531-I690 HydrophobicContact CB-CD1 4.18Å; P531-I690 HydrophobicContact CB-CG2 4.46Å; P531-I690 HydrophobicContact CG-CG2 4.03Å; P531-Y730 HydrophobicContact CG-CD1 4.09Å; P531-Y730 HydrophobicContact CG-CE1 3.45Å; P531-Y730 VanDerWaalsContact CG-CE1 3.45Å; P531-Y730 HydrophobicContact CG-CE2 4.42Å; P531-L740 WeakPolarHBondContact O-CD1 3.08Å; P531-L740 WeakPolarHBondContact O-CD2 3.3Å
532	Q	94.2	Very high	92.9	Very high	83 Å²	83	33.6 Å²	33.6	39%	0.388	18%	0.184	S	C	.	.			trans	-122	135.1	169.1	-61.7	179.9	-1	0	0	108.1	K530 N558 I561	K530-Q532 PolarHBondContact O-N 2.02Å; Q532-N558 HydrophobicContact CB-CB 4.05Å; Q532-N558 WeakPolarHBondContact O-CB 3.39Å; Q532-N558 PolarHBondContact O-N 2.8Å; Q532-I561 HydrophobicContact CB-CG1 4.23Å; Q532-I561 HydrophobicContact CG-CD1 4.24Å; Q532-I561 HydrophobicContact CG-CG1 4.21Å
533	L	93.3	Very high	92.7	Very high	30 Å²	30	39 Å²	39	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.8	-178.7	-59.3	178.7	0	0	0	110.4	A556 L557 I690 Q743 L744	L533-A556 CarbonylContact C-O 3.58Å; L533-A556 WeakPolarHBondContact CA-O 3.31Å; L533-L557 HydrophobicContact CD2-CD2 4.2Å; L533-I690 HydrophobicContact CD2-CD1 3.86Å; L533-Q743 HydrophobicContact CD1-CB 4.1Å; L533-L744 HydrophobicContact CD1-CD2 3.95Å; L533-L744 HydrophobicContact CD1-CG 4.47Å; L533-L744 HydrophobicContact CD2-CD2 4.38Å
534	T	93.1	Very high	92.3	Very high	95 Å²	95	46.1 Å²	46.1	58%	0.583	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	-34.7	165.4	-50.3	0	0	0	0	110.5	A556 L557 N558	T534-A556 PolarHBondContact N-O 3.16Å; T534-L557 PolarHBondContact OG1-O 3.37Å; T534-N558 VanDerWaalsContact OG1-CA 3.29Å; T534-N558 WeakPolarHBondContact OG1-CA 3.36Å
535	I	92.2	Very high	91.6	Very high	79 Å²	79	48.7 Å²	48.7	41%	0.405	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.4	175.4	-57.2	174.4	0	0	0	107.1	A556	I535-A556 HydrophobicContact CB-CB 3.89Å; I535-A556 HydrophobicContact CD1-CB 3.97Å; I535-A556 HydrophobicContact CG1-CB 3.97Å; I535-A556 PolarHBondContact N-O 3.4Å; I535-A556 PolarHBondContact O-N 3Å; I535-A556 VanDerWaalsContact O-N 3.1Å
536	S	93.8	Very high	91.4	Very high	10 Å²	10	49 Å²	49	7%	0.07	26%	0.255	C	S	.	.			trans	-98.3	130.3	-179.7	172.5	0	0	0	0	110.7	S538 D539 Q743	S536-S538 PolarHBondContact O-N 2.79Å; S536-S538 VanDerWaalsContact O-N 3.12Å; S536-S538 WeakPolarHBondContact OG-CB 3.41Å; S536-S538 PolarHBondContact OG-N 3.47Å; S536-S538 PolarHBondContact OG-OG 2.75Å; S536-D539 WeakPolarHBondContact CB-OD2 3.33Å; S536-D539 PolarHBondContact N-OD2 3.01Å; S536-D539 WeakPolarHBondContact O-CB 3.45Å; S536-D539 PolarHBondContact O-N 2.85Å; S536-Q743 WeakPolarHBondContact OG-CA 3.34Å; S536-Q743 PolarHBondContact OG-O 3.1Å
537	P	94	Very high	91	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-51.9	-32.4	169.1	-28.7	32.4	0	0	0	113.6	D539 E540 V553 S554 C555 W577 C688 Q743 A746	P537-D539 PolarHBondContact O-N 2.8Å; P537-E540 WeakPolarHBondContact O-CA 3.39Å; P537-E540 WeakPolarHBondContact O-CB 3.44Å; P537-E540 PolarHBondContact O-N 2.74Å; P537-V553 HydrophobicContact CB-CG1 3.91Å; P537-S554 WeakPolarHBondContact CD-O 3.49Å; P537-C555 HydrophobicContact CG-CB 3.83Å; P537-W577 HydrophobicContact CB-CH2 4.31Å; P537-W577 HydrophobicContact CB-CZ3 4.43Å; P537-W577 HydrophobicContact CG-CH2 3.84Å; P537-W577 HydrophobicContact CG-CZ3 4.16Å; P537-C688 HydrophobicContact CG-CB 3.78Å; P537-Q743 VanDerWaalsContact CD-O 3.26Å; P537-Q743 WeakPolarHBondContact CD-O 3.19Å; P537-A746 HydrophobicContact CB-CB 3.97Å; P537-A746 VanDerWaalsContact O-CB 3.24Å; P537-A746 WeakPolarHBondContact O-CB 3.02Å
538	S	93.1	Very high	90.5	Very high	28 Å²	28	56.6 Å²	56.6	20%	0.196	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-67	-19.8	-179.1	77.3	0	0	0	0	114.1	S536 E540 N541 K742	S536-S538 PolarHBondContact O-N 2.79Å; S536-S538 VanDerWaalsContact O-N 3.12Å; S536-S538 WeakPolarHBondContact OG-CB 3.41Å; S536-S538 PolarHBondContact OG-N 3.47Å; S536-S538 PolarHBondContact OG-OG 2.75Å; S538-E540 PolarHBondContact O-N 2.77Å; S538-N541 VanDerWaalsContact O-CB 3.32Å; S538-N541 WeakPolarHBondContact O-CB 3.39Å; S538-N541 PolarHBondContact O-N 2.9Å; S538-N541 PolarHBondContact O-ND2 2.92Å; S538-K742 WeakPolarHBondContact CB-O 3.32Å
539	D	91.2	Very high	90.1	Very high	118 Å²	118	61.2 Å²	61.2	63%	0.631	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66	-24.3	171.8	-61.9	-35.4	0	0	0	111	S536 P537 N541	S536-D539 WeakPolarHBondContact CB-OD2 3.33Å; S536-D539 PolarHBondContact N-OD2 3.01Å; S536-D539 WeakPolarHBondContact O-CB 3.45Å; S536-D539 PolarHBondContact O-N 2.85Å; P537-D539 PolarHBondContact O-N 2.8Å; D539-N541 VanDerWaalsContact C-N 3.33Å
540	E	91.2	Very high	89.8	Confident	84 Å²	84	64.6 Å²	64.6	39%	0.393	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-95.9	26	177.3	-62.9	-62.3	159.9	0	0	112.4	P537 S538 V553 R748	P537-E540 WeakPolarHBondContact O-CA 3.39Å; P537-E540 WeakPolarHBondContact O-CB 3.44Å; P537-E540 PolarHBondContact O-N 2.74Å; S538-E540 PolarHBondContact O-N 2.77Å; E540-V553 HydrophobicContact CB-CG1 4.36Å; E540-V553 HydrophobicContact CB-CG2 4.27Å; E540-R748 PolarHBondContact O-NE 2.83Å; E540-R748 PolarHBondContact O-NH2 2.97Å; E540-R748 IonicContact OE2-NH2 3.21Å; E540-R748 PolarHBondContact OE2-NH2 2.81Å; E540-R748 VanDerWaalsContact OE2-NH2 3.17Å
541	N	91.6	Very high	89.6	Confident	72 Å²	72	64.8 Å²	64.8	39%	0.385	34%	0.342	S	S	.	.			trans	-69.5	142.5	172.1	-77.8	-27.4	0	0	0	111.7	S538 D539 A746 F747	S538-N541 VanDerWaalsContact O-CB 3.32Å; S538-N541 WeakPolarHBondContact O-CB 3.39Å; S538-N541 PolarHBondContact O-N 2.9Å; S538-N541 PolarHBondContact O-ND2 2.92Å; D539-N541 VanDerWaalsContact C-N 3.33Å; N541-A746 VanDerWaalsContact OD1-CA 3.29Å; N541-A746 WeakPolarHBondContact OD1-CA 2.94Å; N541-F747 WeakPolarHBondContact CA-O 3.36Å; N541-F747 PolarHBondContact OD1-N 3.34Å
542	C	91.1	Very high	89.4	Confident	29 Å²	29	67.9 Å²	67.9	20%	0.196	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-145.3	136.8	173.5	166.2	0	0	0	0	110.9	K544 C546 F747 R748 T749	C542-K544 PolarHBondContact SG-O 2.86Å; C542-K544 VanDerWaalsContact SG-O 3.39Å; C542-C546 HydrophobicContact CB-CB 3.98Å; C542-C546 WeakPolarHBondContact CB-SG 3.29Å; C542-C546 PolarHBondContact O-SG 2.73Å; C542-C546 WeakPolarHBondContact SG-CB 3.35Å; C542-C546 CovalentContact SG-SG 2.04Å; C542-C546 PolarHBondContact SG-SG 3.32Å; C542-F747 PolarHBondContact N-O 2.77Å; C542-R748 WeakPolarHBondContact O-CA 3.46Å; C542-T749 PolarHBondContact O-N 2.98Å
543	I	87.5	Confident	89.3	Confident	147 Å²	147	64 Å²	64	75%	0.754	34%	0.34	S	S	*	.			trans	-107.7	-14.9	-167.8	-55.8	168.5	0	0	0	111.9	T749	I543-T749 WeakPolarHBondContact O-CB 3.43Å
544	K	84.6	Confident	89.2	Confident	152 Å²	152	63.8 Å²	63.8	66%	0.661	34%	0.341	S	S	*	.	S	Bend	trans	-147.5	137.6	-174.1	-155.1	-162.6	171.4	-129.1	0	112.6	C542 C546	C542-K544 PolarHBondContact SG-O 2.86Å; C542-K544 VanDerWaalsContact SG-O 3.39Å; K544-C546 VanDerWaalsContact C-SG 3.53Å; K544-C546 PolarHBondContact N-SG 2.74Å; K544-C546 PolarHBondContact O-N 3.44Å; K544-C546 PolarHBondContact O-SG 3.35Å
545	D	78.8	Confident	89.2	Confident	62 Å²	62	59.2 Å²	59.2	33%	0.332	31%	0.313	S	S	.	.	S	Bend	trans	52.8	40.2	172.3	-49.2	-29.5	0	0	0	112.1
546	C	85.9	Confident	89.2	Confident	8 Å²	8	56.5 Å²	56.5	5%	0.054	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1.5	-168.6	-48.4	0	0	0	0	114.5	C542 K544 Y551 R748 T749	C542-C546 HydrophobicContact CB-CB 3.98Å; C542-C546 WeakPolarHBondContact CB-SG 3.29Å; C542-C546 PolarHBondContact O-SG 2.73Å; C542-C546 WeakPolarHBondContact SG-CB 3.35Å; C542-C546 CovalentContact SG-SG 2.04Å; C542-C546 PolarHBondContact SG-SG 3.32Å; K544-C546 VanDerWaalsContact C-SG 3.53Å; K544-C546 PolarHBondContact N-SG 2.74Å; K544-C546 PolarHBondContact O-N 3.44Å; K544-C546 PolarHBondContact O-SG 3.35Å; C546-Y551 WeakPolarHBondContact O-CE1 3.47Å; C546-R748 HydrophobicContact CB-CB 4.21Å; C546-T749 WeakPolarHBondContact CB-O 3.41Å; C546-T749 PolarHBondContact SG-O 3.21Å
547	D	83.6	Confident	89.2	Confident	33 Å²	33	56.9 Å²	56.9	18%	0.176	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	17	-173.1	59.7	-29.4	0	0	0	113.9	P611 F750 T751	D547-P611 HydrophobicContact CB-CB 4.33Å; D547-P611 WeakPolarHBondContact O-CB 3.21Å; D547-F750 HydrophobicContact CB-CD1 3.73Å; D547-F750 HydrophobicContact CB-CE1 4.3Å; D547-T751 VanDerWaalsContact OD1-CB 3.31Å; D547-T751 WeakPolarHBondContact OD1-CB 3.38Å; D547-T751 PolarHBondContact OD1-N 2.78Å; D547-T751 PolarHBondContact OD1-OG1 2.83Å; D547-T751 PolarHBondContact OD2-N 3.43Å
548	E	82.3	Confident	89.2	Confident	135 Å²	135	58.9 Å²	58.9	63%	0.631	31%	0.314	S	S	*	.	S	Bend	trans	-92.2	-45.4	179.3	-61.3	-171	168.8	0	0	113.4
549	T	85.8	Confident	89.2	Confident	97 Å²	97	64.8 Å²	64.8	60%	0.595	34%	0.339	S	S	*	.	S	Bend	trans	-117.6	149.6	-173	58	0	0	0	0	112.6	Y551	T549-Y551 WeakPolarHBondContact O-CD1 3.49Å
550	P	88.4	Confident	89.3	Confident	71 Å²	71	65.1 Å²	65.1	46%	0.461	34%	0.341	S	S	.	.			trans	-59.9	145.9	173	-21.5	33.1	0	0	0	112.7	V609 W610	P550-V609 WeakPolarHBondContact CA-O 3.24Å; P550-W610 HydrophobicContact CB-CD2 4.16Å; P550-W610 HydrophobicContact CB-CE3 3.67Å; P550-W610 HydrophobicContact CB-CZ3 3.88Å; P550-W610 HydrophobicContact CG-CD2 4.3Å; P550-W610 HydrophobicContact CG-CE3 3.39Å; P550-W610 HydrophobicContact CG-CZ3 3.61Å
551	Y	90.7	Very high	89.5	Confident	25 Å²	25	61.7 Å²	61.7	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.5	178.8	58.9	-90.7	0	0	0	111.7	C546 T549 V553 T608 V609 P611 L684 R748	C546-Y551 WeakPolarHBondContact O-CE1 3.47Å; T549-Y551 WeakPolarHBondContact O-CD1 3.49Å; Y551-V553 HydrophobicContact CD2-CG2 3.8Å; Y551-V553 HydrophobicContact CE2-CG2 3.76Å; Y551-T608 WeakPolarHBondContact O-CA 3.42Å; Y551-V609 HydrophobicContact CD1-CB 4.46Å; Y551-V609 HydrophobicContact CD2-CB 4.23Å; Y551-V609 HydrophobicContact CD2-CG2 4.39Å; Y551-V609 HydrophobicContact CE1-CB 4.01Å; Y551-V609 HydrophobicContact CE1-CG1 4.05Å; Y551-V609 HydrophobicContact CE2-CB 3.75Å; Y551-V609 HydrophobicContact CE2-CG1 4.35Å; Y551-V609 HydrophobicContact CE2-CG2 3.73Å; Y551-V609 PolarHBondContact N-O 3.36Å; Y551-V609 VanDerWaalsContact N-O 3.07Å; Y551-V609 PolarHBondContact O-N 2.89Å; Y551-P611 HydrophobicContact CE1-CG 4.2Å; Y551-L684 WeakPolarHBondContact OH-CD2 3.28Å; Y551-R748 HydrophobicContact CE2-CG 3.94Å
552	N	90.7	Very high	89.6	Confident	68 Å²	68	59.3 Å²	59.3	36%	0.364	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.5	176.2	-68.4	-21.7	0	0	0	110.2	T606 L607 T608	N552-T606 HydrophobicContact CB-CG2 3.98Å; N552-L607 CarbonylContact C-O 3.5Å; N552-L607 VanDerWaalsContact CA-O 3.26Å; N552-L607 WeakPolarHBondContact CA-O 3.3Å; N552-T608 WeakPolarHBondContact OD1-CB 3.49Å; N552-T608 VanDerWaalsContact OD1-CG2 3.31Å; N552-T608 WeakPolarHBondContact OD1-CG2 3.2Å; N552-T608 PolarHBondContact OD1-OG1 3.43Å
553	V	92.2	Very high	89.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.2	169.4	-175.1	0	0	0	0	107.4	P537 E540 Y551 W577 T606 L607 L686 A746	P537-V553 HydrophobicContact CB-CG1 3.91Å; E540-V553 HydrophobicContact CB-CG1 4.36Å; E540-V553 HydrophobicContact CB-CG2 4.27Å; Y551-V553 HydrophobicContact CD2-CG2 3.8Å; Y551-V553 HydrophobicContact CE2-CG2 3.76Å; V553-W577 HydrophobicContact CB-CH2 4.49Å; V553-W577 HydrophobicContact CG1-CH2 3.84Å; V553-W577 HydrophobicContact CG1-CZ3 4.18Å; V553-T606 WeakPolarHBondContact O-CA 3.02Å; V553-L607 PolarHBondContact N-O 3.47Å; V553-L607 PolarHBondContact O-N 2.77Å; V553-L686 HydrophobicContact CB-CD1 4.28Å; V553-L686 HydrophobicContact CG2-CD1 3.83Å; V553-A746 HydrophobicContact CG1-CB 3.75Å
554	S	92	Very high	89.9	Confident	26 Å²	26	59.4 Å²	59.4	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.8	-175	-63	0	0	0	0	111.1	P537 T605 T606	P537-S554 WeakPolarHBondContact CD-O 3.49Å; S554-T605 CarbonylContact C-O 3.52Å; S554-T605 WeakPolarHBondContact CA-O 3.36Å; S554-T606 VanDerWaalsContact OG-CG2 3.22Å; S554-T606 WeakPolarHBondContact OG-CG2 3.19Å; S554-T606 PolarHBondContact OG-OG1 2.9Å
555	C	92.9	Very high	90.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.			trans	-136.9	117.2	173	-176.8	0	0	0	0	109	P537 W577 T605 C688	P537-C555 HydrophobicContact CG-CB 3.83Å; C555-W577 HydrophobicContact CB-CH2 3.81Å; C555-W577 HydrophobicContact CB-CZ2 3.64Å; C555-T605 PolarHBondContact N-O 2.88Å; C555-T605 WeakPolarHBondContact O-CB 3.47Å; C555-T605 VanDerWaalsContact O-CG2 3.3Å; C555-T605 WeakPolarHBondContact O-CG2 3.45Å; C555-C688 HydrophobicContact CB-CB 3.57Å; C555-C688 WeakPolarHBondContact CB-SG 3.16Å; C555-C688 WeakPolarHBondContact SG-CB 3.42Å; C555-C688 CovalentContact SG-SG 2.03Å; C555-C688 PolarHBondContact SG-SG 2.63Å
556	A	91.9	Very high	90.9	Very high	22 Å²	22	54 Å²	54	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.2	178.5	0	0	0	0	0	110.7	L533 T534 I535	L533-A556 CarbonylContact C-O 3.58Å; L533-A556 WeakPolarHBondContact CA-O 3.31Å; T534-A556 PolarHBondContact N-O 3.16Å; I535-A556 HydrophobicContact CB-CB 3.89Å; I535-A556 HydrophobicContact CD1-CB 3.97Å; I535-A556 HydrophobicContact CG1-CB 3.97Å; I535-A556 PolarHBondContact N-O 3.4Å; I535-A556 PolarHBondContact O-N 3Å; I535-A556 VanDerWaalsContact O-N 3.1Å
557	L	93.4	Very high	91	Very high	18 Å²	18	58 Å²	58	9%	0.094	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	150.5	173.1	-73.7	168.9	0	0	0	111	P531 L533 T534 E559 V562 W565 P573 I575 I690	P531-L557 HydrophobicContact CB-CD2 3.95Å; L533-L557 HydrophobicContact CD2-CD2 4.2Å; T534-L557 PolarHBondContact OG1-O 3.37Å; L557-E559 PolarHBondContact O-N 3.41Å; L557-V562 HydrophobicContact CB-CG2 3.76Å; L557-V562 HydrophobicContact CD1-CG2 4.04Å; L557-W565 HydrophobicContact CD1-CZ3 4.08Å; L557-W565 HydrophobicContact CD2-CH2 4.19Å; L557-W565 HydrophobicContact CD2-CZ3 4.31Å; L557-P573 HydrophobicContact CD1-CB 4.03Å; L557-I575 HydrophobicContact CD1-CD1 3.71Å; L557-I575 HydrophobicContact CD1-CG1 3.83Å; L557-I575 HydrophobicContact CG-CD1 3.85Å; L557-I575 HydrophobicContact CG-CG1 4.35Å; L557-I690 HydrophobicContact CD2-CD1 3.62Å; L557-I690 HydrophobicContact CD2-CG1 4.23Å; L557-I690 HydrophobicContact CD2-CG2 4.45Å; L557-I690 HydrophobicContact CG-CD1 4.32Å
558	N	94.4	Very high	91.1	Very high	41 Å²	41	59.5 Å²	59.5	22%	0.219	31%	0.314	C	S	.	.			trans	-65.1	116.3	168.8	-174.9	-26.9	0	0	0	110	Q532 T534 N560 I561 V562	Q532-N558 HydrophobicContact CB-CB 4.05Å; Q532-N558 WeakPolarHBondContact O-CB 3.39Å; Q532-N558 PolarHBondContact O-N 2.8Å; T534-N558 VanDerWaalsContact OG1-CA 3.29Å; T534-N558 WeakPolarHBondContact OG1-CA 3.36Å; N558-N560 PolarHBondContact O-N 2.98Å; N558-N560 WeakPolarHBondContact OD1-CB 3.13Å; N558-N560 PolarHBondContact OD1-N 3.41Å; N558-I561 HydrophobicContact CB-CB 4.34Å; N558-I561 HydrophobicContact CB-CG1 4.12Å; N558-I561 PolarHBondContact O-N 2.81Å; N558-I561 VanDerWaalsContact O-N 3.12Å; N558-V562 PolarHBondContact O-N 3.21Å; N558-V562 VanDerWaalsContact O-N 3.09Å
559	E	92.8	Very high	91.5	Very high	152 Å²	152	53.1 Å²	53.1	71%	0.71	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-33.3	-177.2	-67.4	-177.2	-179.2	0	0	112.7	L557 I561 V562 Q563	L557-E559 PolarHBondContact O-N 3.41Å; E559-I561 PolarHBondContact O-N 3.12Å; E559-V562 PolarHBondContact O-N 3.08Å; E559-Q563 WeakPolarHBondContact O-CG 3.46Å; E559-Q563 PolarHBondContact O-N 3.39Å
560	N	94.4	Very high	91.7	Very high	126 Å²	126	50.5 Å²	50.5	67%	0.674	27%	0.267	S	S	*	.	H	α-helix	trans	-64.5	-42.3	178.3	-65.8	-31.8	0	0	0	111.5	N558 Q563 E564	N558-N560 PolarHBondContact O-N 2.98Å; N558-N560 WeakPolarHBondContact OD1-CB 3.13Å; N558-N560 PolarHBondContact OD1-N 3.41Å; N560-Q563 PolarHBondContact O-N 2.77Å; N560-E564 PolarHBondContact O-N 2.84Å
561	I	94.4	Very high	91.9	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-40.7	176.6	-66.1	-82.5	0	0	0	110	P529 Q532 N558 E559 Q563 E564 W565	P529-I561 HydrophobicContact CB-CD1 3.91Å; P529-I561 HydrophobicContact CG-CD1 4.23Å; Q532-I561 HydrophobicContact CB-CG1 4.23Å; Q532-I561 HydrophobicContact CG-CD1 4.24Å; Q532-I561 HydrophobicContact CG-CG1 4.21Å; N558-I561 HydrophobicContact CB-CB 4.34Å; N558-I561 HydrophobicContact CB-CG1 4.12Å; N558-I561 PolarHBondContact O-N 2.81Å; N558-I561 VanDerWaalsContact O-N 3.12Å; E559-I561 PolarHBondContact O-N 3.12Å; I561-Q563 VanDerWaalsContact C-N 3.35Å; I561-Q563 PolarHBondContact O-N 3.31Å; I561-E564 PolarHBondContact O-N 2.74Å; I561-W565 HydrophobicContact CG2-CD2 3.81Å; I561-W565 HydrophobicContact CG2-CE3 4.11Å; I561-W565 HydrophobicContact CG2-CH2 3.62Å; I561-W565 HydrophobicContact CG2-CZ2 3.28Å; I561-W565 HydrophobicContact CG2-CZ3 4.02Å; I561-W565 PolarHBondContact O-N 2.74Å
562	V	93.6	Very high	91.9	Very high	22 Å²	22	51.7 Å²	51.7	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-42.4	176.4	171.8	0	0	0	0	111.6	L557 N558 E559 W565 K566 P573	L557-V562 HydrophobicContact CB-CG2 3.76Å; L557-V562 HydrophobicContact CD1-CG2 4.04Å; N558-V562 PolarHBondContact O-N 3.21Å; N558-V562 VanDerWaalsContact O-N 3.09Å; E559-V562 PolarHBondContact O-N 3.08Å; V562-W565 HydrophobicContact CG2-CE3 4.2Å; V562-W565 HydrophobicContact CG2-CZ3 4.1Å; V562-K566 HydrophobicContact CG1-CD 4.38Å; V562-K566 WeakPolarHBondContact O-CG 3.26Å; V562-K566 PolarHBondContact O-N 2.79Å; V562-K566 VanDerWaalsContact O-N 3.11Å; V562-P573 HydrophobicContact CG1-CG 3.95Å; V562-P573 HydrophobicContact CG2-CG 4.3Å
563	Q	93	Very high	92	Very high	114 Å²	114	49.7 Å²	49.7	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-38.7	175	-69.2	-58.4	-28.9	0	0	111.7	E559 N560 I561 K566 S567	E559-Q563 WeakPolarHBondContact O-CG 3.46Å; E559-Q563 PolarHBondContact O-N 3.39Å; N560-Q563 PolarHBondContact O-N 2.77Å; I561-Q563 VanDerWaalsContact C-N 3.35Å; I561-Q563 PolarHBondContact O-N 3.31Å; Q563-K566 PolarHBondContact O-N 2.76Å; Q563-S567 VanDerWaalsContact O-CB 3.28Å; Q563-S567 WeakPolarHBondContact O-CB 3.31Å; Q563-S567 PolarHBondContact O-N 3.48Å; Q563-S567 PolarHBondContact O-OG 2.92Å
564	E	91.7	Very high	92	Very high	63 Å²	63	51.7 Å²	51.7	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-47.6	175.6	-168.5	-179.5	172.6	0	0	111.6	N560 I561 K566 S567 K568 F569	N560-E564 PolarHBondContact O-N 2.84Å; I561-E564 PolarHBondContact O-N 2.74Å; E564-K566 VanDerWaalsContact C-N 3.33Å; E564-K566 PolarHBondContact O-N 2.88Å; E564-S567 PolarHBondContact O-N 2.62Å; E564-K568 HydrophobicContact CG-CB 4.28Å; E564-K568 HydrophobicContact CG-CD 4.34Å; E564-K568 VanDerWaalsContact O-CB 3.3Å; E564-K568 WeakPolarHBondContact O-CB 3.4Å; E564-K568 PolarHBondContact O-N 3.13Å; E564-F569 HydrophobicContact CG-CD2 4.4Å; E564-F569 HydrophobicContact CG-CE2 3.97Å
565	W	93.7	Very high	91.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-47.6	174.6	-72.2	-26	0	0	0	112.3	P529 P531 L557 I561 V562 F569 N570 I571 P573 L692	P529-W565 PolarHBondContact O-NE1 3.3Å; P531-W565 HydrophobicContact CB-CH2 3.94Å; P531-W565 HydrophobicContact CB-CZ2 4.38Å; P531-W565 HydrophobicContact CG-CH2 3.95Å; P531-W565 HydrophobicContact CG-CZ2 4.16Å; L557-W565 HydrophobicContact CD1-CZ3 4.08Å; L557-W565 HydrophobicContact CD2-CH2 4.19Å; L557-W565 HydrophobicContact CD2-CZ3 4.31Å; I561-W565 HydrophobicContact CG2-CD2 3.81Å; I561-W565 HydrophobicContact CG2-CE3 4.11Å; I561-W565 HydrophobicContact CG2-CH2 3.62Å; I561-W565 HydrophobicContact CG2-CZ2 3.28Å; I561-W565 HydrophobicContact CG2-CZ3 4.02Å; I561-W565 PolarHBondContact O-N 2.74Å; V562-W565 HydrophobicContact CG2-CE3 4.2Å; V562-W565 HydrophobicContact CG2-CZ3 4.1Å; W565-F569 CarbonylContact O-C 3.55Å; W565-F569 WeakPolarHBondContact O-CA 3.21Å; W565-F569 WeakPolarHBondContact O-CB 3.47Å; W565-F569 PolarHBondContact O-N 3.5Å; W565-N570 PolarHBondContact O-N 3.36Å; W565-I571 CarbonylContact C-O 3.58Å; W565-I571 HydrophobicContact CB-CB 3.92Å; W565-I571 HydrophobicContact CB-CG2 4.06Å; W565-I571 HydrophobicContact CG-CB 4.43Å; W565-I571 HydrophobicContact CG-CG2 4.22Å; W565-I571 PolarHBondContact O-N 3.05Å; W565-P573 HydrophobicContact CE3-CB 3.97Å; W565-P573 HydrophobicContact CE3-CG 4.13Å; W565-P573 HydrophobicContact CZ3-CB 3.91Å; W565-P573 HydrophobicContact CZ3-CG 4.41Å; W565-L692 HydrophobicContact CD2-CD1 4.33Å; W565-L692 HydrophobicContact CD2-CD2 4.18Å; W565-L692 HydrophobicContact CE3-CD2 3.77Å; W565-L692 HydrophobicContact CH2-CD1 4.09Å; W565-L692 HydrophobicContact CH2-CD2 3.7Å; W565-L692 HydrophobicContact CZ2-CD1 3.65Å; W565-L692 HydrophobicContact CZ2-CD2 4.09Å; W565-L692 HydrophobicContact CZ3-CD2 3.52Å
566	K	91.3	Very high	91.7	Very high	101 Å²	101	54 Å²	54	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-47.5	-179.6	-71.1	-179.8	179.9	-174.9	0	112.5	V562 Q563 E564	V562-K566 HydrophobicContact CG1-CD 4.38Å; V562-K566 WeakPolarHBondContact O-CG 3.26Å; V562-K566 PolarHBondContact O-N 2.79Å; V562-K566 VanDerWaalsContact O-N 3.11Å; Q563-K566 PolarHBondContact O-N 2.76Å; E564-K566 VanDerWaalsContact C-N 3.33Å; E564-K566 PolarHBondContact O-N 2.88Å
567	S	87.1	Confident	91.7	Very high	92 Å²	92	53 Å²	53	64%	0.643	27%	0.273	S	S	*	.	H	α-helix	trans	-83.9	-33.7	-170.5	62.4	0	0	0	0	114.6	Q563 E564	Q563-S567 VanDerWaalsContact O-CB 3.28Å; Q563-S567 WeakPolarHBondContact O-CB 3.31Å; Q563-S567 PolarHBondContact O-N 3.48Å; Q563-S567 PolarHBondContact O-OG 2.92Å; E564-S567 PolarHBondContact O-N 2.62Å
568	K	86.4	Confident	91.5	Very high	64 Å²	64	53.1 Å²	53.1	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-99.8	-34.3	-175.8	-174.6	179.7	171.4	-166	0	112.9	S19 D505 E564	S19-K568 PolarHBondContact OG-O 3.21Å; D505-K568 IonicContact OD2-NZ 3.25Å; D505-K568 PolarHBondContact OD2-NZ 2.9Å; E564-K568 HydrophobicContact CG-CB 4.28Å; E564-K568 HydrophobicContact CG-CD 4.34Å; E564-K568 VanDerWaalsContact O-CB 3.3Å; E564-K568 WeakPolarHBondContact O-CB 3.4Å; E564-K568 PolarHBondContact O-N 3.13Å
569	F	90.3	Very high	91.3	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-114.8	-7	-170.4	-59.3	-80.5	0	0	0	114.3	Y424 K526 V527 V528 P529 E564 W565 I571	Y424-F569 HydrophobicContact CD1-CD1 4.34Å; Y424-F569 AromaticContact CE1-CD1 3.96Å; Y424-F569 HydrophobicContact CE1-CD1 3.96Å; Y424-F569 HydrophobicContact CE2-CB 4.12Å; Y424-F569 HydrophobicContact CE2-CD1 4.44Å; Y424-F569 WeakPolarHBondContact CE2-O 3.45Å; Y424-F569 WeakPolarHBondContact OH-CA 3.48Å; Y424-F569 PolarHBondContact OH-O 2.86Å; K526-F569 HydrophobicContact CB-CD1 4.48Å; K526-F569 HydrophobicContact CB-CE1 3.9Å; V527-F569 VanDerWaalsContact O-CZ 3.32Å; V527-F569 WeakPolarHBondContact O-CZ 3.46Å; V528-F569 HydrophobicContact CG2-CD1 3.74Å; V528-F569 HydrophobicContact CG2-CE1 3.83Å; V528-F569 HydrophobicContact CG2-CG 4.29Å; V528-F569 HydrophobicContact CG2-CZ 4.47Å; P529-F569 HydrophobicContact CG-CE2 4.48Å; E564-F569 HydrophobicContact CG-CD2 4.4Å; E564-F569 HydrophobicContact CG-CE2 3.97Å; W565-F569 CarbonylContact O-C 3.55Å; W565-F569 WeakPolarHBondContact O-CA 3.21Å; W565-F569 WeakPolarHBondContact O-CB 3.47Å; W565-F569 PolarHBondContact O-N 3.5Å; F569-I571 HydrophobicContact CB-CB 4.34Å; F569-I571 HydrophobicContact CB-CD1 3.62Å; F569-I571 HydrophobicContact CB-CG1 3.82Å; F569-I571 HydrophobicContact CG-CD1 4.37Å; F569-I571 PolarHBondContact O-N 3.16Å
570	N	89.7	Confident	91.1	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.23	23%	0.232	C	C	.	.			trans	54.3	40.4	-172.3	-62.7	-31	0	0	0	111.8	W565 T695	W565-N570 PolarHBondContact O-N 3.36Å; N570-T695 WeakPolarHBondContact CB-OG1 3.18Å; N570-T695 WeakPolarHBondContact O-CA 3.46Å; N570-T695 WeakPolarHBondContact O-CB 3.43Å; N570-T695 PolarHBondContact O-N 3.17Å; N570-T695 PolarHBondContact O-OG1 2.62Å
571	I	92.7	Very high	90.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.4	-179.9	-71.3	172.4	0	0	0	110	Y424 V528 W565 F569 L692 S693 V694 I729	Y424-I571 HydrophobicContact CD2-CD1 4.25Å; Y424-I571 HydrophobicContact CE2-CD1 4.36Å; Y424-I571 HydrophobicContact CE2-CG1 4.48Å; V528-I571 HydrophobicContact CG1-CD1 3.68Å; V528-I571 HydrophobicContact CG2-CD1 4.06Å; W565-I571 CarbonylContact C-O 3.58Å; W565-I571 HydrophobicContact CB-CB 3.92Å; W565-I571 HydrophobicContact CB-CG2 4.06Å; W565-I571 HydrophobicContact CG-CB 4.43Å; W565-I571 HydrophobicContact CG-CG2 4.22Å; W565-I571 PolarHBondContact O-N 3.05Å; F569-I571 HydrophobicContact CB-CB 4.34Å; F569-I571 HydrophobicContact CB-CD1 3.62Å; F569-I571 HydrophobicContact CB-CG1 3.82Å; F569-I571 HydrophobicContact CG-CD1 4.37Å; F569-I571 PolarHBondContact O-N 3.16Å; I571-L692 HydrophobicContact CG2-CB 3.73Å; I571-L692 HydrophobicContact CG2-CD2 4.36Å; I571-L692 HydrophobicContact CG2-CG 4.42Å; I571-S693 CarbonylContact C-O 3.56Å; I571-S693 WeakPolarHBondContact CA-O 3.43Å; I571-V694 HydrophobicContact CD1-CG2 4.3Å; I571-V694 HydrophobicContact CG1-CG2 3.93Å; I571-I729 HydrophobicContact CD1-CG2 4.25Å
572	E	91.7	Very high	90	Very high	118 Å²	118	46 Å²	46	55%	0.551	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.1	174.2	-169.3	168.2	-162.6	0	0	110.5	S693 T695	E572-S693 PolarHBondContact N-O 2.95Å; E572-S693 PolarHBondContact O-N 3Å; E572-T695 HydrophobicContact CB-CG2 4.12Å
573	P	93.1	Very high	89.6	Confident	26 Å²	26	46.6 Å²	46.6	17%	0.169	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	145	173.8	32.5	-32.5	0	0	0	111.2	L557 V562 W565 R691 L692	L557-P573 HydrophobicContact CD1-CB 4.03Å; V562-P573 HydrophobicContact CG1-CG 3.95Å; V562-P573 HydrophobicContact CG2-CG 4.3Å; W565-P573 HydrophobicContact CE3-CB 3.97Å; W565-P573 HydrophobicContact CE3-CG 4.13Å; W565-P573 HydrophobicContact CZ3-CB 3.91Å; W565-P573 HydrophobicContact CZ3-CG 4.41Å; P573-R691 CarbonylContact C-O 3.55Å; P573-R691 WeakPolarHBondContact CA-O 3.41Å; P573-L692 HydrophobicContact CB-CD2 3.73Å
574	S	90.6	Very high	89.2	Confident	42 Å²	42	42.6 Å²	42.6	29%	0.294	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.1	166.3	57.4	0	0	0	0	109.9	I690 R691	S574-I690 WeakPolarHBondContact O-CA 3.26Å; S574-R691 PolarHBondContact N-O 3.13Å; S574-R691 PolarHBondContact O-N 2.93Å; S574-R691 WeakPolarHBondContact OG-CB 3.36Å; S574-R691 PolarHBondContact OG-O 3.17Å
575	I	90	Very high	88.4	Confident	48 Å²	48	41.9 Å²	41.9	25%	0.246	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.9	176.8	-55.4	176.6	0	0	0	107.6	L557 T605 W689 I690	L557-I575 HydrophobicContact CD1-CD1 3.71Å; L557-I575 HydrophobicContact CD1-CG1 3.83Å; L557-I575 HydrophobicContact CG-CD1 3.85Å; L557-I575 HydrophobicContact CG-CG1 4.35Å; I575-T605 HydrophobicContact CD1-CG2 4.07Å; I575-W689 CarbonylContact C-O 3.59Å; I575-W689 WeakPolarHBondContact CA-O 3.24Å; I575-I690 HydrophobicContact CG1-CG1 4.31Å
576	D	90.2	Very high	87.5	Confident	26 Å²	26	45.7 Å²	45.7	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-178.6	172.8	-160.4	-16.6	0	0	0	108	K585 W689 R691	D576-K585 WeakPolarHBondContact OD1-CB 3.09Å; D576-W689 HydrophobicContact CB-CB 4.38Å; D576-W689 HydrophobicContact CB-CD2 4.35Å; D576-W689 HydrophobicContact CB-CE3 3.69Å; D576-W689 HydrophobicContact CB-CZ3 4.38Å; D576-W689 PolarHBondContact N-O 2.91Å; D576-W689 WeakPolarHBondContact O-CA 3.19Å; D576-W689 WeakPolarHBondContact O-CB 3.14Å; D576-W689 PolarHBondContact O-N 3.13Å; D576-R691 IonicContact OD2-NH2 3.05Å
577	W	91	Very high	86.9	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141	179.5	-73.6	94	0	0	0	111.6	P537 V553 C555 T584 K585 T605 L607 L686 C688	P537-W577 HydrophobicContact CB-CH2 4.31Å; P537-W577 HydrophobicContact CB-CZ3 4.43Å; P537-W577 HydrophobicContact CG-CH2 3.84Å; P537-W577 HydrophobicContact CG-CZ3 4.16Å; V553-W577 HydrophobicContact CB-CH2 4.49Å; V553-W577 HydrophobicContact CG1-CH2 3.84Å; V553-W577 HydrophobicContact CG1-CZ3 4.18Å; C555-W577 HydrophobicContact CB-CH2 3.81Å; C555-W577 HydrophobicContact CB-CZ2 3.64Å; W577-T584 VanDerWaalsContact O-CA 3.27Å; W577-T584 WeakPolarHBondContact O-CA 3.11Å; W577-K585 PolarHBondContact O-N 2.8Å; W577-T605 WeakPolarHBondContact CZ2-O 3.45Å; W577-L607 HydrophobicContact CB-CD1 3.9Å; W577-L607 HydrophobicContact CB-CD2 4.42Å; W577-L607 HydrophobicContact CB-CG 4.43Å; W577-L607 HydrophobicContact CD2-CD1 3.4Å; W577-L607 VanDerWaalsContact CD2-CD1 3.4Å; W577-L607 HydrophobicContact CD2-CD2 4.42Å; W577-L607 HydrophobicContact CD2-CG 3.64Å; W577-L607 HydrophobicContact CE3-CD1 3.57Å; W577-L607 HydrophobicContact CE3-CG 4.22Å; W577-L607 HydrophobicContact CG-CD1 3.56Å; W577-L607 HydrophobicContact CG-CD2 3.97Å; W577-L607 HydrophobicContact CG-CG 3.71Å; W577-L607 HydrophobicContact CZ2-CG 4.27Å; W577-L607 HydrophobicContact CZ3-CD1 4.24Å; W577-L686 HydrophobicContact CE3-CB 4.48Å; W577-L686 HydrophobicContact CZ3-CB 4.29Å; W577-C688 HydrophobicContact CE3-CB 4.49Å; W577-C688 HydrophobicContact CH2-CB 4.32Å; W577-C688 HydrophobicContact CZ3-CB 4.16Å
578	I	90.1	Very high	86.6	Confident	21 Å²	21	39.8 Å²	39.8	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.6	169.5	-63.5	164.5	0	0	0	108.3	W583 S687 W689 R733	I578-W583 CarbonylContact C-O 3.53Å; I578-W583 WeakPolarHBondContact CA-O 3.27Å; I578-S687 PolarHBondContact N-O 3.3Å; I578-S687 PolarHBondContact O-N 3Å; I578-W689 HydrophobicContact CD1-CB 3.81Å; I578-W689 HydrophobicContact CD1-CD2 4.01Å; I578-W689 HydrophobicContact CD1-CE3 4.46Å; I578-W689 HydrophobicContact CD1-CG 3.71Å; I578-W689 HydrophobicContact CG1-CB 3.91Å; I578-W689 HydrophobicContact CG1-CD2 4.23Å; I578-W689 HydrophobicContact CG1-CE3 4.21Å; I578-W689 HydrophobicContact CG1-CG 4.12Å; I578-R733 HydrophobicContact CD1-CG 3.57Å
579	I	90	Very high	86.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.5	-176.1	-59.4	151	0	0	0	108	N581 H582 W583 L588 I597 L686	I579-N581 PolarHBondContact O-N 3.24Å; I579-H582 PolarHBondContact O-N 3.15Å; I579-W583 HydrophobicContact CG2-CE3 4.35Å; I579-W583 PolarHBondContact N-O 2.59Å; I579-W583 PolarHBondContact O-N 2.83Å; I579-W583 VanDerWaalsContact O-N 3.07Å; I579-L588 HydrophobicContact CD1-CD1 4.44Å; I579-L588 HydrophobicContact CD1-CD2 3.32Å; I579-L588 HydrophobicContact CD1-CG 4.07Å; I579-I597 HydrophobicContact CD1-CD1 4.33Å; I579-I597 HydrophobicContact CD1-CG2 4.45Å; I579-I597 HydrophobicContact CG1-CD1 4.46Å; I579-I597 HydrophobicContact CG2-CD1 3.81Å; I579-L686 HydrophobicContact CB-CD2 4.36Å; I579-L686 HydrophobicContact CG1-CD2 4Å; I579-L686 HydrophobicContact CG2-CD2 4.02Å
580	Q	87.7	Confident	85.6	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.065	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	27.6	-178.2	-74.1	-72.6	19.4	0	0	114.1	H582 W583 L669 I673 D683 L684 I685	Q580-H582 PolarHBondContact O-CD2 2.91Å; Q580-H582 PolarHBondContact O-N 2.87Å; Q580-W583 HydrophobicContact CB-CE3 4.2Å; Q580-W583 HydrophobicContact CB-CZ3 3.86Å; Q580-W583 HydrophobicContact CG-CZ3 4.39Å; Q580-L669 HydrophobicContact CG-CD1 4.18Å; Q580-L669 HydrophobicContact CG-CD2 4.19Å; Q580-I673 HydrophobicContact CB-CD1 4.2Å; Q580-I673 HydrophobicContact CG-CD1 4.32Å; Q580-D683 PolarHBondContact NE2-O 2.8Å; Q580-L684 HydrophobicContact CG-CD1 4Å; Q580-I685 PolarHBondContact N-O 2.84Å
581	N	84.3	Confident	85.1	Confident	83 Å²	83	46.8 Å²	46.8	44%	0.444	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	14.2	-173.7	-55.4	-39.4	0	0	0	115	I579 F713	I579-N581 PolarHBondContact O-N 3.24Å; N581-F713 WeakPolarHBondContact O-CE1 3.43Å; N581-F713 WeakPolarHBondContact O-CZ 3.48Å
582	H	82	Confident	84.6	Confident	84 Å²	84	47.5 Å²	47.5	39%	0.389	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-45.2	-175.1	-74.1	-63.3	0	0	0	113	I579 Q580	I579-H582 PolarHBondContact O-N 3.15Å; Q580-H582 PolarHBondContact O-CD2 2.91Å; Q580-H582 PolarHBondContact O-N 2.87Å
583	W	84.2	Confident	84.2	Confident	36 Å²	36	41.9 Å²	41.9	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.8	-170.6	-55	-74.1	0	0	0	111.6	I578 I579 Q580 T591 L593 L669 K672 I673	I578-W583 CarbonylContact C-O 3.53Å; I578-W583 WeakPolarHBondContact CA-O 3.27Å; I579-W583 HydrophobicContact CG2-CE3 4.35Å; I579-W583 PolarHBondContact N-O 2.59Å; I579-W583 PolarHBondContact O-N 2.83Å; I579-W583 VanDerWaalsContact O-N 3.07Å; Q580-W583 HydrophobicContact CB-CE3 4.2Å; Q580-W583 HydrophobicContact CB-CZ3 3.86Å; Q580-W583 HydrophobicContact CG-CZ3 4.39Å; W583-T591 HydrophobicContact CG-CG2 4.37Å; W583-L593 HydrophobicContact CB-CD1 4.01Å; W583-L593 HydrophobicContact CD2-CD1 3.58Å; W583-L593 HydrophobicContact CE3-CD1 3.59Å; W583-L593 HydrophobicContact CG-CD1 3.78Å; W583-L593 HydrophobicContact CZ3-CD1 4.23Å; W583-L669 HydrophobicContact CH2-CD2 3.9Å; W583-L669 HydrophobicContact CZ3-CD2 3.54Å; W583-K672 HydrophobicContact CH2-CB 4.1Å; W583-K672 HydrophobicContact CZ2-CB 3.97Å; W583-I673 HydrophobicContact CH2-CD1 3.98Å; W583-I673 HydrophobicContact CH2-CG1 3.5Å; W583-I673 HydrophobicContact CZ2-CG1 4.37Å; W583-I673 HydrophobicContact CZ3-CD1 4.14Å; W583-I673 HydrophobicContact CZ3-CG1 4.17Å
584	T	84.9	Confident	83.8	Confident	30 Å²	30	40.9 Å²	40.9	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	162.8	169.3	65.5	0	0	0	0	110.5	W577 A586 H587 W689	W577-T584 VanDerWaalsContact O-CA 3.27Å; W577-T584 WeakPolarHBondContact O-CA 3.11Å; T584-A586 PolarHBondContact O-N 2.8Å; T584-H587 PolarHBondContact O-N 3.06Å; T584-H587 PolarHBondContact OG1-ND1 3.37Å; T584-W689 HydrophobicContact CG2-CE3 4.26Å; T584-W689 HydrophobicContact CG2-CZ3 3.87Å
585	K	74.7	Confident	83.5	Confident	48 Å²	48	42.1 Å²	42.1	21%	0.209	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-50.4	-42.5	178.3	-175.4	-168.5	145.8	167.5	0	112.8	D576 W577 H587 L588 S599 D604	D576-K585 WeakPolarHBondContact OD1-CB 3.09Å; W577-K585 PolarHBondContact O-N 2.8Å; K585-H587 PolarHBondContact O-N 3.1Å; K585-L588 HydrophobicContact CB-CD1 4.48Å; K585-L588 HydrophobicContact CG-CD1 3.94Å; K585-L588 WeakPolarHBondContact O-CB 3.37Å; K585-L588 VanDerWaalsContact O-CG 3.31Å; K585-L588 WeakPolarHBondContact O-CG 3.38Å; K585-L588 PolarHBondContact O-N 2.85Å; K585-S599 WeakPolarHBondContact CE-OG 3.47Å; K585-S599 PolarHBondContact NZ-OG 2.88Å; K585-D604 IonicContact NZ-OD1 3.17Å; K585-D604 PolarHBondContact NZ-OD1 2.74Å; K585-D604 IonicContact NZ-OD2 2.75Å; K585-D604 PolarHBondContact NZ-OD2 2.76Å
586	A	76	Confident	83.4	Confident	80 Å²	80	39.9 Å²	39.9	66%	0.661	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-58	-20.2	-178.6	0	0	0	0	0	114	T584	T584-A586 PolarHBondContact O-N 2.8Å
587	H	78.2	Confident	83.4	Confident	59 Å²	59	38.7 Å²	38.7	27%	0.273	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-105	8.9	-177.9	-57.9	93.7	0	0	0	113.1	T584 K585 S590 T591	T584-H587 PolarHBondContact O-N 3.06Å; T584-H587 PolarHBondContact OG1-ND1 3.37Å; K585-H587 PolarHBondContact O-N 3.1Å; H587-S590 WeakPolarHBondContact CA-OG 3.38Å; H587-S590 PolarHBondContact O-OG 2.86Å; H587-T591 HydrophobicContact CB-CG2 4.09Å; H587-T591 VanDerWaalsContact O-CB 3.26Å; H587-T591 WeakPolarHBondContact O-CB 3.26Å; H587-T591 WeakPolarHBondContact O-CG2 3.46Å; H587-T591 PolarHBondContact O-N 2.85Å; H587-T591 PolarHBondContact O-OG1 3.38Å
588	L	81.1	Confident	83.2	Confident	9 Å²	9	40 Å²	40	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-50.4	-177.9	-79.8	173.4	0	0	0	112.3	I579 K585 T591 G592 L593 G594 I597	I579-L588 HydrophobicContact CD1-CD1 4.44Å; I579-L588 HydrophobicContact CD1-CD2 3.32Å; I579-L588 HydrophobicContact CD1-CG 4.07Å; K585-L588 HydrophobicContact CB-CD1 4.48Å; K585-L588 HydrophobicContact CG-CD1 3.94Å; K585-L588 WeakPolarHBondContact O-CB 3.37Å; K585-L588 VanDerWaalsContact O-CG 3.31Å; K585-L588 WeakPolarHBondContact O-CG 3.38Å; K585-L588 PolarHBondContact O-N 2.85Å; L588-T591 PolarHBondContact O-OG1 2.97Å; L588-T591 VanDerWaalsContact O-OG1 3.11Å; L588-G592 PolarHBondContact O-N 3.32Å; L588-L593 HydrophobicContact CD2-CB 3.6Å; L588-L593 HydrophobicContact CD2-CD1 4.34Å; L588-L593 CarbonylContact O-C 3.45Å; L588-L593 PolarHBondContact O-N 3.05Å; L588-G594 PolarHBondContact O-N 2.8Å; L588-I597 HydrophobicContact CD1-CG2 4.34Å; L588-I597 HydrophobicContact CD2-CB 4.01Å; L588-I597 HydrophobicContact CD2-CG2 4.18Å
589	E	78.2	Confident	82.8	Confident	148 Å²	148	40.8 Å²	40.8	69%	0.692	23%	0.229	S	C	*	.	H	α-helix	trans	-68.9	-47.8	-179.2	-62.1	-60.3	160.7	0	0	111.6	T591 G592	E589-T591 PolarHBondContact O-N 2.81Å; E589-G592 PolarHBondContact O-N 3.08Å
590	S	77	Confident	81.9	Confident	85 Å²	85	47.2 Å²	47.2	59%	0.594	26%	0.255	S	S	*	.	H	α-helix	trans	-65.1	-22.3	-178.7	58.8	0	0	0	0	114	H587	H587-S590 WeakPolarHBondContact CA-OG 3.38Å; H587-S590 PolarHBondContact O-OG 2.86Å
591	T	79.4	Confident	80.6	Confident	22 Å²	22	48.3 Å²	48.3	14%	0.135	27%	0.27	C	S	.	.	H	α-helix	trans	-90.4	-12.5	176.4	57.4	0	0	0	0	113.5	W583 H587 L588 E589 L593 F668 K672	W583-T591 HydrophobicContact CG-CG2 4.37Å; H587-T591 HydrophobicContact CB-CG2 4.09Å; H587-T591 VanDerWaalsContact O-CB 3.26Å; H587-T591 WeakPolarHBondContact O-CB 3.26Å; H587-T591 WeakPolarHBondContact O-CG2 3.46Å; H587-T591 PolarHBondContact O-N 2.85Å; H587-T591 PolarHBondContact O-OG1 3.38Å; L588-T591 PolarHBondContact O-OG1 2.97Å; L588-T591 VanDerWaalsContact O-OG1 3.11Å; E589-T591 PolarHBondContact O-N 2.81Å; T591-L593 VanDerWaalsContact C-N 3.3Å; T591-L593 PolarHBondContact OG1-N 3.36Å; T591-F668 WeakPolarHBondContact O-CZ 3.4Å; T591-K672 WeakPolarHBondContact O-CE 3.42Å; T591-K672 PolarHBondContact O-NZ 2.83Å
592	G	81.3	Confident	79.2	Confident	18 Å²	18	53.5 Å²	53.5	19%	0.186	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	2.9	-168.9	0	0	0	0	0	114.3	L588 E589 G594 Q595	L588-G592 PolarHBondContact O-N 3.32Å; E589-G592 PolarHBondContact O-N 3.08Å; G592-G594 VanDerWaalsContact C-N 3.26Å; G592-G594 PolarHBondContact O-N 3.12Å; G592-Q595 WeakPolarHBondContact O-CG 3.25Å; G592-Q595 PolarHBondContact O-NE2 3.33Å
593	L	84.4	Confident	78.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-70.1	-21.6	173.9	-77	170.1	0	0	0	112.8	W583 L588 T591 Q595 F596 I597 L665 F668 L669	W583-L593 HydrophobicContact CB-CD1 4.01Å; W583-L593 HydrophobicContact CD2-CD1 3.58Å; W583-L593 HydrophobicContact CE3-CD1 3.59Å; W583-L593 HydrophobicContact CG-CD1 3.78Å; W583-L593 HydrophobicContact CZ3-CD1 4.23Å; L588-L593 HydrophobicContact CD2-CB 3.6Å; L588-L593 HydrophobicContact CD2-CD1 4.34Å; L588-L593 CarbonylContact O-C 3.45Å; L588-L593 PolarHBondContact O-N 3.05Å; T591-L593 VanDerWaalsContact C-N 3.3Å; T591-L593 PolarHBondContact OG1-N 3.36Å; L593-Q595 PolarHBondContact O-N 2.8Å; L593-Q595 VanDerWaalsContact O-N 3.11Å; L593-F596 PolarHBondContact O-N 2.89Å; L593-I597 PolarHBondContact O-N 2.87Å; L593-L665 HydrophobicContact CD2-CD1 4.26Å; L593-F668 HydrophobicContact CD2-CD1 3.79Å; L593-F668 HydrophobicContact CD2-CE1 3.58Å; L593-F668 HydrophobicContact CG-CE1 3.88Å; L593-L669 HydrophobicContact CD2-CD2 4.03Å
594	G	84	Confident	77.4	Confident	4 Å²	4	57.8 Å²	57.8	4%	0.041	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-55.9	-26.5	179.7	0	0	0	0	0	114.2	L588 G592 F596 T598	L588-G594 PolarHBondContact O-N 2.8Å; G592-G594 VanDerWaalsContact C-N 3.26Å; G592-G594 PolarHBondContact O-N 3.12Å; G594-F596 VanDerWaalsContact C-N 3.28Å; G594-F596 PolarHBondContact O-N 2.77Å; G594-T598 WeakPolarHBondContact O-CG2 3.43Å
595	Q	85	Confident	77.4	Confident	69 Å²	69	58 Å²	58	32%	0.322	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-69.6	-24	174.3	78.1	-174	-33.5	0	0	113.3	G592 L593 G613 K614	G592-Q595 WeakPolarHBondContact O-CG 3.25Å; G592-Q595 PolarHBondContact O-NE2 3.33Å; L593-Q595 PolarHBondContact O-N 2.8Å; L593-Q595 VanDerWaalsContact O-N 3.11Å; Q595-G613 CarbonylContact O-C 3.52Å; Q595-G613 WeakPolarHBondContact O-CA 3.41Å; Q595-K614 WeakPolarHBondContact O-CB 3.39Å; Q595-K614 PolarHBondContact O-N 2.88Å
596	F	88.2	Confident	78	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-29.3	-178.1	-59.1	-69.9	0	0	0	112.6	L593 G594 V609 W610 T663 L665 F668	L593-F596 PolarHBondContact O-N 2.89Å; G594-F596 VanDerWaalsContact C-N 3.28Å; G594-F596 PolarHBondContact O-N 2.77Å; F596-V609 CarbonylContact O-C 3.55Å; F596-V609 WeakPolarHBondContact O-CA 3.33Å; F596-W610 WeakPolarHBondContact CD1-O 3.13Å; F596-W610 PolarHBondContact O-N 3.5Å; F596-T663 VanDerWaalsContact CE1-O 3.31Å; F596-T663 WeakPolarHBondContact CE1-O 3.49Å; F596-T663 WeakPolarHBondContact CZ-O 3.37Å; F596-L665 HydrophobicContact CB-CB 4.32Å; F596-L665 HydrophobicContact CB-CD1 3.76Å; F596-L665 HydrophobicContact CB-CG 4.42Å; F596-L665 HydrophobicContact CD1-CB 3.93Å; F596-L665 HydrophobicContact CD2-CD1 4.03Å; F596-L665 HydrophobicContact CE1-CB 4.42Å; F596-L665 HydrophobicContact CG-CB 4.07Å; F596-L665 HydrophobicContact CG-CD1 3.91Å; F596-F668 HydrophobicContact CD2-CB 4.36Å; F596-F668 HydrophobicContact CD2-CD1 4.05Å; F596-F668 HydrophobicContact CD2-CG 4.18Å; F596-F668 HydrophobicContact CE2-CB 3.53Å; F596-F668 AromaticContact CE2-CD1 3.8Å; F596-F668 HydrophobicContact CE2-CD1 3.8Å; F596-F668 AromaticContact CE2-CD2 3.93Å; F596-F668 HydrophobicContact CE2-CD2 3.93Å; F596-F668 HydrophobicContact CE2-CE1 4.49Å; F596-F668 AromaticContact CE2-CG 3.46Å; F596-F668 HydrophobicContact CE2-CG 3.46Å; F596-F668 VanDerWaalsContact CE2-CG 3.46Å; F596-F668 HydrophobicContact CZ-CB 3.98Å; F596-F668 HydrophobicContact CZ-CG 4.31Å
597	I	89.6	Confident	78.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121	-174.6	-56.9	177.4	0	0	0	108.5	I579 L588 L593 L607 T608 V609 L686	I579-I597 HydrophobicContact CD1-CD1 4.33Å; I579-I597 HydrophobicContact CD1-CG2 4.45Å; I579-I597 HydrophobicContact CG1-CD1 4.46Å; I579-I597 HydrophobicContact CG2-CD1 3.81Å; L588-I597 HydrophobicContact CD1-CG2 4.34Å; L588-I597 HydrophobicContact CD2-CB 4.01Å; L588-I597 HydrophobicContact CD2-CG2 4.18Å; L593-I597 PolarHBondContact O-N 2.87Å; I597-L607 HydrophobicContact CG2-CB 4.42Å; I597-L607 HydrophobicContact CG2-CD1 4.29Å; I597-L607 HydrophobicContact CG2-CD2 4.04Å; I597-L607 HydrophobicContact CG2-CG 4.49Å; I597-T608 WeakPolarHBondContact CA-O 3.33Å; I597-V609 HydrophobicContact CG1-CG1 4.34Å; I597-V609 HydrophobicContact CG1-CG2 4.34Å; I597-L686 HydrophobicContact CD1-CD2 4.44Å
598	T	86.3	Confident	79.3	Confident	29 Å²	29	50.5 Å²	50.5	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138	177.9	55.7	0	0	0	0	110.1	G594 T608 K614	G594-T598 WeakPolarHBondContact O-CG2 3.43Å; T598-T608 PolarHBondContact N-O 2.97Å; T598-T608 PolarHBondContact O-N 3.06Å; T598-K614 HydrophobicContact CG2-CD 4.24Å
599	S	81.7	Confident	79.8	Confident	36 Å²	36	50.1 Å²	50.1	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.4	170.4	62.1	0	0	0	0	111.2	K585 T606	K585-S599 WeakPolarHBondContact CE-OG 3.47Å; K585-S599 PolarHBondContact NZ-OG 2.88Å; S599-T606 WeakPolarHBondContact CA-O 3.39Å
600	Y	72.4	Confident	80.3	Confident	136 Å²	136	46.1 Å²	46.1	53%	0.533	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.5	168.1	96.5	-86.6	0	0	0	111.9	T606	Y600-T606 HydrophobicContact CD1-CG2 4.17Å; Y600-T606 HydrophobicContact CE1-CG2 3.73Å; Y600-T606 PolarHBondContact N-O 3.03Å
601	G	59.3	Low	80.8	Confident	37 Å²	37	42.3 Å²	42.3	38%	0.381	22%	0.22	S	C	.	.	S	Bend	trans	125	160.4	175.5	0	0	0	0	0	113.3	H603 D604	G601-H603 PolarHBondContact O-N 2.83Å; G601-H603 VanDerWaalsContact O-N 3.15Å; G601-D604 PolarHBondContact O-N 2.88Å; G601-D604 VanDerWaalsContact O-N 3.08Å
602	E	56	Low	81	Confident	191 Å²	191	46 Å²	46	89%	0.893	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.6	-176	-151.3	172.1	-161.8	0	0	113.5
603	H	60.4	Low	81	Confident	144 Å²	144	46.1 Å²	46.1	67%	0.667	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.6	16.5	173.9	-62.3	-38.7	0	0	0	112.9	G601 T605	G601-H603 PolarHBondContact O-N 2.83Å; G601-H603 VanDerWaalsContact O-N 3.15Å; H603-T605 HydrophobicContact CB-CG2 3.98Å; H603-T605 PolarHBondContact O-N 3.46Å
604	D	67.6	Low	80.8	Confident	67 Å²	67	51.7 Å²	51.7	36%	0.358	27%	0.268	S	S	.	.			trans	53.5	31.2	176.6	-67.8	-54.9	0	0	0	115.2	K585 G601 T606	K585-D604 IonicContact NZ-OD1 3.17Å; K585-D604 PolarHBondContact NZ-OD1 2.74Å; K585-D604 IonicContact NZ-OD2 2.75Å; K585-D604 PolarHBondContact NZ-OD2 2.76Å; G601-D604 PolarHBondContact O-N 2.88Å; G601-D604 VanDerWaalsContact O-N 3.08Å; D604-T606 VanDerWaalsContact C-N 3.25Å; D604-T606 PolarHBondContact O-N 2.99Å
605	T	83.7	Confident	80.1	Confident	35 Å²	35	55.6 Å²	55.6	22%	0.215	29%	0.293	C	S	.	.			trans	-77	-6.4	-175.6	46.8	0	0	0	0	114.1	S554 C555 I575 W577 H603	S554-T605 CarbonylContact C-O 3.52Å; S554-T605 WeakPolarHBondContact CA-O 3.36Å; C555-T605 PolarHBondContact N-O 2.88Å; C555-T605 WeakPolarHBondContact O-CB 3.47Å; C555-T605 VanDerWaalsContact O-CG2 3.3Å; C555-T605 WeakPolarHBondContact O-CG2 3.45Å; I575-T605 HydrophobicContact CD1-CG2 4.07Å; W577-T605 WeakPolarHBondContact CZ2-O 3.45Å; H603-T605 HydrophobicContact CB-CG2 3.98Å; H603-T605 PolarHBondContact O-N 3.46Å
606	T	89.2	Confident	79.1	Confident	13 Å²	13	59.1 Å²	59.1	8%	0.08	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.7	-175.7	-57.7	0	0	0	0	111.4	N552 V553 S554 S599 Y600 D604	N552-T606 HydrophobicContact CB-CG2 3.98Å; V553-T606 WeakPolarHBondContact O-CA 3.02Å; S554-T606 VanDerWaalsContact OG-CG2 3.22Å; S554-T606 WeakPolarHBondContact OG-CG2 3.19Å; S554-T606 PolarHBondContact OG-OG1 2.9Å; S599-T606 WeakPolarHBondContact CA-O 3.39Å; Y600-T606 HydrophobicContact CD1-CG2 4.17Å; Y600-T606 HydrophobicContact CE1-CG2 3.73Å; Y600-T606 PolarHBondContact N-O 3.03Å; D604-T606 VanDerWaalsContact C-N 3.25Å; D604-T606 PolarHBondContact O-N 2.99Å
607	L	90.6	Very high	77.2	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133	166.8	-66.3	-179	0	0	0	109.8	N552 V553 W577 I597 L686	N552-L607 CarbonylContact C-O 3.5Å; N552-L607 VanDerWaalsContact CA-O 3.26Å; N552-L607 WeakPolarHBondContact CA-O 3.3Å; V553-L607 PolarHBondContact N-O 3.47Å; V553-L607 PolarHBondContact O-N 2.77Å; W577-L607 HydrophobicContact CB-CD1 3.9Å; W577-L607 HydrophobicContact CB-CD2 4.42Å; W577-L607 HydrophobicContact CB-CG 4.43Å; W577-L607 HydrophobicContact CD2-CD1 3.4Å; W577-L607 VanDerWaalsContact CD2-CD1 3.4Å; W577-L607 HydrophobicContact CD2-CD2 4.42Å; W577-L607 HydrophobicContact CD2-CG 3.64Å; W577-L607 HydrophobicContact CE3-CD1 3.57Å; W577-L607 HydrophobicContact CE3-CG 4.22Å; W577-L607 HydrophobicContact CG-CD1 3.56Å; W577-L607 HydrophobicContact CG-CD2 3.97Å; W577-L607 HydrophobicContact CG-CG 3.71Å; W577-L607 HydrophobicContact CZ2-CG 4.27Å; W577-L607 HydrophobicContact CZ3-CD1 4.24Å; I597-L607 HydrophobicContact CG2-CB 4.42Å; I597-L607 HydrophobicContact CG2-CD1 4.29Å; I597-L607 HydrophobicContact CG2-CD2 4.04Å; I597-L607 HydrophobicContact CG2-CG 4.49Å; L607-L686 HydrophobicContact CD1-CD2 4.22Å
608	T	89.8	Confident	74.6	Confident	16 Å²	16	73.3 Å²	73.3	10%	0.098	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.9	165.6	-56.3	0	0	0	0	108.5	Y551 N552 I597 T598 W610	Y551-T608 WeakPolarHBondContact O-CA 3.42Å; N552-T608 WeakPolarHBondContact OD1-CB 3.49Å; N552-T608 VanDerWaalsContact OD1-CG2 3.31Å; N552-T608 WeakPolarHBondContact OD1-CG2 3.2Å; N552-T608 PolarHBondContact OD1-OG1 3.43Å; I597-T608 WeakPolarHBondContact CA-O 3.33Å; T598-T608 PolarHBondContact N-O 2.97Å; T598-T608 PolarHBondContact O-N 3.06Å; T608-W610 HydrophobicContact CG2-CD2 4.46Å; T608-W610 HydrophobicContact CG2-CZ2 3.79Å
609	V	90.7	Very high	72.1	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.2	178.4	-174.8	0	0	0	0	109.2	P550 Y551 F596 I597 L665 L684 L686	P550-V609 WeakPolarHBondContact CA-O 3.24Å; Y551-V609 HydrophobicContact CD1-CB 4.46Å; Y551-V609 HydrophobicContact CD2-CB 4.23Å; Y551-V609 HydrophobicContact CD2-CG2 4.39Å; Y551-V609 HydrophobicContact CE1-CB 4.01Å; Y551-V609 HydrophobicContact CE1-CG1 4.05Å; Y551-V609 HydrophobicContact CE2-CB 3.75Å; Y551-V609 HydrophobicContact CE2-CG1 4.35Å; Y551-V609 HydrophobicContact CE2-CG2 3.73Å; Y551-V609 PolarHBondContact N-O 3.36Å; Y551-V609 VanDerWaalsContact N-O 3.07Å; Y551-V609 PolarHBondContact O-N 2.89Å; F596-V609 CarbonylContact O-C 3.55Å; F596-V609 WeakPolarHBondContact O-CA 3.33Å; I597-V609 HydrophobicContact CG1-CG1 4.34Å; I597-V609 HydrophobicContact CG1-CG2 4.34Å; V609-L665 HydrophobicContact CG1-CD2 3.57Å; V609-L684 HydrophobicContact CG1-CD2 4.12Å; V609-L684 HydrophobicContact CG2-CD2 4.42Å; V609-L686 HydrophobicContact CG2-CD1 3.9Å
610	W	89.8	Confident	69.8	Low	65 Å²	65	82.4 Å²	82.4	25%	0.246	43%	0.432	C	S	.	.			trans	-115.6	93.9	178.7	-56.5	88	0	0	0	108.3	P550 F596 T608 V612 G613 K614 P615	P550-W610 HydrophobicContact CB-CD2 4.16Å; P550-W610 HydrophobicContact CB-CE3 3.67Å; P550-W610 HydrophobicContact CB-CZ3 3.88Å; P550-W610 HydrophobicContact CG-CD2 4.3Å; P550-W610 HydrophobicContact CG-CE3 3.39Å; P550-W610 HydrophobicContact CG-CZ3 3.61Å; F596-W610 WeakPolarHBondContact CD1-O 3.13Å; F596-W610 PolarHBondContact O-N 3.5Å; T608-W610 HydrophobicContact CG2-CD2 4.46Å; T608-W610 HydrophobicContact CG2-CZ2 3.79Å; W610-V612 PolarHBondContact O-N 3.09Å; W610-V612 VanDerWaalsContact O-N 3.1Å; W610-G613 PolarHBondContact O-N 3.08Å; W610-K614 HydrophobicContact CD2-CB 4.47Å; W610-K614 HydrophobicContact CG-CB 4.26Å; W610-P615 HydrophobicContact CZ3-CG 4.17Å
611	P	86.9	Confident	67.6	Low	5 Å²	5	84.5 Å²	84.5	3%	0.032	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.4	-174.5	-27.7	35.4	0	0	0	115	D547 Y551 T664 L665	D547-P611 HydrophobicContact CB-CB 4.33Å; D547-P611 WeakPolarHBondContact O-CB 3.21Å; Y551-P611 HydrophobicContact CE1-CG 4.2Å; P611-T664 WeakPolarHBondContact O-CA 3.45Å; P611-L665 PolarHBondContact O-N 2.94Å
612	V	84.1	Confident	66.1	Low	99 Å²	99	91.4 Å²	91.4	60%	0.6	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	11.6	-180	-158.3	0	0	0	0	112	W610	W610-V612 PolarHBondContact O-N 3.09Å; W610-V612 VanDerWaalsContact O-N 3.1Å
613	G	81.4	Confident	64.8	Low	21 Å²	21	89.8 Å²	89.8	22%	0.216	46%	0.458	C	S	.	.			trans	89.3	152.3	-177.1	0	0	0	0	0	113.6	Q595 W610	Q595-G613 CarbonylContact O-C 3.52Å; Q595-G613 WeakPolarHBondContact O-CA 3.41Å; W610-G613 PolarHBondContact O-N 3.08Å
614	K	79.5	Confident	63.2	Low	116 Å²	116	90 Å²	90	50%	0.504	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-66	134.5	178.5	-177.5	-177.6	179.5	-179.7	0	109.7	Q595 T598 W610 I616	Q595-K614 WeakPolarHBondContact O-CB 3.39Å; Q595-K614 PolarHBondContact O-N 2.88Å; T598-K614 HydrophobicContact CG2-CD 4.24Å; W610-K614 HydrophobicContact CD2-CB 4.47Å; W610-K614 HydrophobicContact CG-CB 4.26Å; K614-I616 PolarHBondContact O-N 2.97Å; K614-I616 VanDerWaalsContact O-N 3.11Å
615	P	70.7	Confident	61.4	Low	87 Å²	87	92.5 Å²	92.5	57%	0.565	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-63.1	116.9	173.1	23.3	-30.1	0	0	0	109.8	W610 P617	W610-P615 HydrophobicContact CZ3-CG 4.17Å; P615-P617 WeakPolarHBondContact O-CD 3.4Å
616	I	63.6	Low	58.7	Low	143 Å²	143	98.1 Å²	98.1	73%	0.733	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-68.1	121.5	169.7	-56.6	171.2	0	0	0	106.4	K614 F618	K614-I616 PolarHBondContact O-N 2.97Å; K614-I616 VanDerWaalsContact O-N 3.11Å; I616-F618 PolarHBondContact O-N 3.03Å
617	P	48.7	Very low	55.9	Low	104 Å²	104	104.6 Å²	104.6	68%	0.675	54%	0.54	S	S	*	.			trans	-62.8	110.8	171.9	24.3	-29.5	0	0	0	107.4	P615 I619	P615-P617 WeakPolarHBondContact O-CD 3.4Å; P617-I619 PolarHBondContact O-N 3.17Å
618	F	34.2	Very low	52.9	Low	195 Å²	195	113.4 Å²	113.4	86%	0.855	58%	0.578	S	S	*	*			trans	-56.3	102.5	169.1	-88.4	-96.5	0	0	0	107.3	I616 V620	I616-F618 PolarHBondContact O-N 3.03Å; F618-V620 PolarHBondContact O-N 2.78Å
619	I	34.9	Very low	49.8	Very low	150 Å²	150	121.4 Å²	121.4	77%	0.769	61%	0.614	S	S	*	*			trans	-63.8	100.6	160.9	-61.9	173.9	0	0	0	104.2	P617 K621	P617-I619 PolarHBondContact O-N 3.17Å; I619-K621 PolarHBondContact O-N 3.06Å
620	V	32.5	Very low	46.9	Very low	106 Å²	106	126.5 Å²	126.5	64%	0.642	65%	0.647	S	S	*	*			trans	-60.5	96.2	167.6	179.7	0	0	0	0	105.1	F618 H622	F618-V620 PolarHBondContact O-N 2.78Å; V620-H622 PolarHBondContact O-N 2.77Å
621	K	27	Very low	43.8	Very low	181 Å²	181	133.3 Å²	133.3	79%	0.787	68%	0.679	S	S	*	*			trans	-58.5	100.4	158.8	-76.6	-177	177.3	179.7	0	104.6	I619 E623	I619-K621 PolarHBondContact O-N 3.06Å; K621-E623 PolarHBondContact O-N 3.07Å
622	H	27.9	Very low	40.9	Very low	181 Å²	181	142.6 Å²	142.6	84%	0.838	72%	0.721	S	S	*	*			trans	-65.2	91.5	164.7	-105.4	-63.7	0	0	0	106.3	V620 E624	V620-H622 PolarHBondContact O-N 2.77Å; H622-E624 PolarHBondContact O-N 3.1Å
623	E	27.1	Very low	38.1	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	74%	0.735	S	S	*	*			trans	-62.7	120.1	162.5	-83.5	177	161	0	0	108.5	K621	K621-E623 PolarHBondContact O-N 3.07Å
624	E	27.6	Very low	35.4	Very low	149 Å²	149	145 Å²	145	70%	0.696	76%	0.756	S	S	*	*			trans	63.2	105.3	134.8	-59.1	-175.5	159	0	0	118	H622	H622-E624 PolarHBondContact O-N 3.1Å
625	S	30.1	Very low	32.7	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	77%	0.768	S	S	*	*			trans	-120.8	104.3	130.6	98.1	0	0	0	0	109.3	N627	S625-N627 PolarHBondContact O-N 3.21Å
626	H	26.9	Very low	30.4	Very low	154 Å²	154	150 Å²	150	71%	0.713	78%	0.777	S	S	*	*			trans	-41.7	126.5	162	-77	-75.8	0	0	0	112.5
627	N	30.3	Very low	28.6	Very low	148 Å²	148	150.8 Å²	150.8	79%	0.791	78%	0.777	S	S	*	*			trans	-150.5	107.9	140.3	-107.5	-23.7	0	0	0	111.1	S625	S625-N627 PolarHBondContact O-N 3.21Å
628	K	26.4	Very low	27.4	Very low	186 Å²	186	153.4 Å²	153.4	81%	0.809	78%	0.781	S	S	*	*				18.7	122.5	126.7	-78.1	178.4	-179.1	178.1	0	114.3
629	Q	26.1	Very low	26.9	Very low	184 Å²	184	152.9 Å²	152.9	86%	0.86	78%	0.781	S	S	*	*				-176.5	176.7	58.8	-115.4	-178.1	-41.3	0	0	108.5
630	P	28.7	Very low	26.7	Very low	107 Å²	107	155.1 Å²	155.1	70%	0.695	79%	0.788	S	S	*	*			trans	-104.6	155.2	-142.8	37.4	-25.3	0	0	0	115.2
631	K	24.4	Very low	26.4	Very low	208 Å²	208	158.8 Å²	158.8	90%	0.904	80%	0.798	S	S	*	*			trans	17.2	111.3	140.2	-63.1	-177.8	176.6	-176.4	0	116.8
632	E	27.2	Very low	26.3	Very low	199 Å²	199	155.8 Å²	155.8	93%	0.93	80%	0.795	S	S	*	*			trans	-136.2	137.4	145.7	-133.8	166.3	-162.5	0	0	109.5
633	A	25.2	Very low	26.3	Very low	106 Å²	106	153.6 Å²	153.6	88%	0.876	79%	0.788	S	S	*	*			trans	-77.5	152.8	-167.7	0	0	0	0	0	112.7
634	G	23.3	Very low	26.2	Very low	64 Å²	64	153.9 Å²	153.9	66%	0.66	79%	0.789	S	S	*	*			trans	176.3	86.5	170.5	0	0	0	0	0	113.9
635	I	23.9	Very low	26.4	Very low	147 Å²	147	156.3 Å²	156.3	75%	0.754	80%	0.797	S	S	*	*				63.9	114.1	127	-58.8	166.6	0	0	0	118.7
636	E	22.7	Very low	26.3	Very low	162 Å²	162	159.3 Å²	159.3	76%	0.757	80%	0.798	S	S	*	*				38.2	123.4	128.7	-49.5	170.9	162.1	0	0	119
637	E	24.8	Very low	26.2	Very low	160 Å²	160	158.8 Å²	158.8	75%	0.748	80%	0.799	S	S	*	*				168.4	131.6	108.1	-89.6	173.5	-177.1	0	0	111.9
638	E	23.9	Very low	26.1	Very low	159 Å²	159	160.3 Å²	160.3	74%	0.743	80%	0.804	S	S	*	*			trans	71.4	101.5	139.5	-62.1	-179.2	174.8	0	0	122.1
639	E	24.3	Very low	26	Very low	184 Å²	184	157.2 Å²	157.2	86%	0.86	80%	0.796	S	S	*	*				46.9	116	116.2	-63.8	-178.3	172.6	0	0	120.4
640	E	29.5	Very low	26.1	Very low	197 Å²	197	155.5 Å²	155.5	92%	0.921	79%	0.792	S	S	*	*				-161.7	156.6	124	-116.9	177.9	-173	0	0	111.6
641	E	27.8	Very low	26	Very low	182 Å²	182	156.7 Å²	156.7	85%	0.85	79%	0.793	S	S	*	*			trans	-82.2	154.8	-140.4	-88.7	176.8	135.2	0	0	119.1
642	V	25	Very low	26.2	Very low	118 Å²	118	152 Å²	152	72%	0.715	78%	0.782	S	S	*	*			trans	-71.7	155.6	160.3	173.1	0	0	0	0	110.2
643	I	27.4	Very low	26.3	Very low	135 Å²	135	150.2 Å²	150.2	69%	0.692	77%	0.773	S	S	*	*				172.4	104.4	125	-80.9	155.1	0	0	0	110.7
644	E	25.5	Very low	26.6	Very low	163 Å²	163	151.7 Å²	151.7	76%	0.762	77%	0.766	S	S	*	*				42.8	125.3	129	-54.3	175.9	151.5	0	0	120.8
645	K	31.8	Very low	26.8	Very low	200 Å²	200	157 Å²	157	87%	0.87	77%	0.774	S	S	*	*				-152.9	109.4	121.3	-106.6	170.2	-169.3	-175.9	0	111.8
646	E	27.7	Very low	27.3	Very low	182 Å²	182	155 Å²	155	85%	0.85	77%	0.771	S	S	*	*			trans	45.5	92.1	149.7	-79.3	174	141	0	0	119.5	M648	E646-M648 PolarHBondContact O-N 2.83Å
647	I	23.9	Very low	28.1	Very low	144 Å²	144	151.5 Å²	151.5	74%	0.738	76%	0.76	S	S	*	*			trans	-36.7	108	135.1	-60	159.1	0	0	0	110.6	N649	I647-N649 HydrophobicContact CG2-CB 3.99Å; I647-N649 VanDerWaalsContact CG2-CG 3.49Å
648	M	29.3	Very low	28.5	Very low	179 Å²	179	152.9 Å²	152.9	88%	0.882	77%	0.767	S	S	*	*			trans	-111.9	85.3	144.5	-143.6	-172.9	-38.6	0	0	105.8	E646 L650	E646-M648 PolarHBondContact O-N 2.83Å; M648-L650 VanDerWaalsContact C-N 3.26Å; M648-L650 PolarHBondContact O-N 2.87Å
649	N	24.6	Very low	29.5	Very low	122 Å²	122	146.8 Å²	146.8	65%	0.652	74%	0.739	S	S	*	*			trans	-58	92.1	169.3	-88.3	-11.8	0	0	0	108.5	I647	I647-N649 HydrophobicContact CG2-CB 3.99Å; I647-N649 VanDerWaalsContact CG2-CG 3.49Å
650	L	26.6	Very low	30.7	Very low	148 Å²	148	142 Å²	142	78%	0.775	72%	0.724	S	S	*	*			trans	-118.4	42	150.8	-134.3	91	0	0	0	108.8	M648 T652	M648-L650 VanDerWaalsContact C-N 3.26Å; M648-L650 PolarHBondContact O-N 2.87Å; L650-T652 PolarHBondContact O-N 2.96Å
651	D	27	Very low	31.8	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	72%	0.723	S	S	*	*			trans	-69.9	69.3	156.2	-72	-26.7	0	0	0	107.9	E653	D651-E653 HydrophobicContact CB-CG 4.42Å; D651-E653 PolarHBondContact O-N 3.41Å
652	T	28.9	Very low	33.4	Very low	110 Å²	110	135.5 Å²	135.5	68%	0.675	72%	0.716	S	S	*	*				-66.9	86.4	125	18.6	0	0	0	0	104	L650 D654	L650-T652 PolarHBondContact O-N 2.96Å; T652-D654 PolarHBondContact O-N 3.06Å
653	E	30.1	Very low	35.9	Very low	160 Å²	160	130.8 Å²	130.8	75%	0.748	69%	0.687	S	S	*	*			trans	-48.5	105.5	147.2	-72	-171.1	155.3	0	0	103.5	D651 E655	D651-E653 HydrophobicContact CB-CG 4.42Å; D651-E653 PolarHBondContact O-N 3.41Å; E653-E655 PolarHBondContact O-N 2.89Å
654	D	29.8	Very low	38.6	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	67%	0.667	S	S	*	*			trans	-49.4	105.6	161.3	-83.3	-41.9	0	0	0	103.9	T652 P656	T652-D654 PolarHBondContact O-N 3.06Å; D654-P656 WeakPolarHBondContact O-CD 3.32Å
655	E	27.6	Very low	41.5	Very low	175 Å²	175	118.8 Å²	118.8	82%	0.818	63%	0.631	S	S	*	*			trans	-47.5	117.9	173.7	-92.8	-169.7	150	0	0	104.9	E653 V657	E653-E655 PolarHBondContact O-N 2.89Å; E655-V657 PolarHBondContact O-N 2.95Å
656	P	35	Very low	44.1	Very low	105 Å²	105	110 Å²	110	68%	0.682	59%	0.593	S	S	*	*			trans	-55.7	116.1	178.8	20.5	-30.4	0	0	0	105.2	D654 Q658	D654-P656 WeakPolarHBondContact O-CD 3.32Å; P656-Q658 PolarHBondContact O-N 2.66Å
657	V	39.5	Very low	46.8	Very low	89 Å²	89	106.5 Å²	106.5	54%	0.539	58%	0.577	S	S	.	*			trans	-48.9	108.6	-178.3	-176.7	0	0	0	0	106	E655 I659	E655-V657 PolarHBondContact O-N 2.95Å; V657-I659 HydrophobicContact CB-CD1 4.13Å; V657-I659 HydrophobicContact CB-CG1 4.2Å; V657-I659 HydrophobicContact CG1-CD1 4.06Å; V657-I659 HydrophobicContact CG1-CG1 3.71Å; V657-I659 WeakPolarHBondContact O-CG1 3.18Å; V657-I659 PolarHBondContact O-N 3.25Å
658	Q	34.3	Very low	49.6	Very low	189 Å²	189	99.8 Å²	99.8	88%	0.883	54%	0.542	S	S	*	.			trans	-72.3	86.2	-178.8	-74.7	-158.8	7.1	0	0	107.7	P656	P656-Q658 PolarHBondContact O-N 2.66Å
659	I	44.8	Very low	52.3	Low	30 Å²	30	91.2 Å²	91.2	15%	0.154	50%	0.5	C	S	.	.			trans	-83.3	124.6	176.3	-61.9	150.2	0	0	0	105.6	V657 S661 T663 F668	V657-I659 HydrophobicContact CB-CD1 4.13Å; V657-I659 HydrophobicContact CB-CG1 4.2Å; V657-I659 HydrophobicContact CG1-CD1 4.06Å; V657-I659 HydrophobicContact CG1-CG1 3.71Å; V657-I659 WeakPolarHBondContact O-CG1 3.18Å; V657-I659 PolarHBondContact O-N 3.25Å; I659-S661 PolarHBondContact O-N 3.23Å; I659-T663 HydrophobicContact CG2-CG2 4.12Å; I659-T663 WeakPolarHBondContact CG2-OG1 3.43Å; I659-F668 HydrophobicContact CD1-CD2 4Å; I659-F668 HydrophobicContact CD1-CE2 3.34Å; I659-F668 HydrophobicContact CD1-CZ 4.14Å; I659-F668 HydrophobicContact CG1-CD2 4.38Å; I659-F668 HydrophobicContact CG1-CE2 4.02Å; I659-F668 HydrophobicContact CG2-CD2 4.36Å
660	P	47.7	Very low	55	Low	84 Å²	84	86.1 Å²	86.1	55%	0.545	48%	0.475	S	S	.	.			trans	-58.4	138	-178.6	15.5	-22.6	0	0	0	109.7	T662 T663	P660-T662 PolarHBondContact O-N 3.14Å; P660-T663 WeakPolarHBondContact CG-OG1 3.14Å; P660-T663 PolarHBondContact O-N 3.35Å; P660-T663 PolarHBondContact O-OG1 3.43Å
661	S	53.7	Low	57.6	Low	131 Å²	131	84.9 Å²	84.9	92%	0.916	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	10.6	-175.1	43.2	0	0	0	0	115.8	I659	I659-S661 PolarHBondContact O-N 3.23Å
662	T	62.3	Low	60.1	Low	112 Å²	112	83 Å²	83	69%	0.687	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	4.5	178.3	52	0	0	0	0	113.3	P660 T664	P660-T662 PolarHBondContact O-N 3.14Å; T662-T664 PolarHBondContact O-N 3.31Å
663	T	76.2	Confident	62.4	Low	19 Å²	19	81 Å²	81	12%	0.117	44%	0.435	C	S	.	.			trans	-75.3	124.1	179.1	-45	0	0	0	0	110.3	F596 I659 P660 Q667 F668	F596-T663 VanDerWaalsContact CE1-O 3.31Å; F596-T663 WeakPolarHBondContact CE1-O 3.49Å; F596-T663 WeakPolarHBondContact CZ-O 3.37Å; I659-T663 HydrophobicContact CG2-CG2 4.12Å; I659-T663 WeakPolarHBondContact CG2-OG1 3.43Å; P660-T663 WeakPolarHBondContact CG-OG1 3.14Å; P660-T663 PolarHBondContact O-N 3.35Å; P660-T663 PolarHBondContact O-OG1 3.43Å; T663-Q667 HydrophobicContact CG2-CB 3.8Å; T663-F668 HydrophobicContact CG2-CB 4.21Å
664	T	84.7	Confident	64.2	Low	43 Å²	43	75.5 Å²	75.5	26%	0.264	42%	0.421	S	S	.	.			trans	-81	158.4	173.4	59.2	0	0	0	0	111.3	P611 T662 K666 Q667 F668	P611-T664 WeakPolarHBondContact O-CA 3.45Å; T662-T664 PolarHBondContact O-N 3.31Å; T664-K666 PolarHBondContact O-N 2.9Å; T664-Q667 VanDerWaalsContact N-OE1 3.08Å; T664-Q667 PolarHBondContact O-N 3.37Å; T664-Q667 WeakPolarHBondContact OG1-CG 3.33Å; T664-Q667 PolarHBondContact OG1-N 3.03Å; T664-Q667 PolarHBondContact OG1-OE1 2.93Å; T664-F668 PolarHBondContact O-N 3.32Å
665	L	86.8	Confident	65.6	Low	2 Å²	2	70.5 Å²	70.5	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-52.8	-40.2	174.8	174.3	59.6	0	0	0	111.5	L593 F596 V609 P611 F668 L669 L684 F750	L593-L665 HydrophobicContact CD2-CD1 4.26Å; F596-L665 HydrophobicContact CB-CB 4.32Å; F596-L665 HydrophobicContact CB-CD1 3.76Å; F596-L665 HydrophobicContact CB-CG 4.42Å; F596-L665 HydrophobicContact CD1-CB 3.93Å; F596-L665 HydrophobicContact CD2-CD1 4.03Å; F596-L665 HydrophobicContact CE1-CB 4.42Å; F596-L665 HydrophobicContact CG-CB 4.07Å; F596-L665 HydrophobicContact CG-CD1 3.91Å; V609-L665 HydrophobicContact CG1-CD2 3.57Å; P611-L665 PolarHBondContact O-N 2.94Å; L665-F668 PolarHBondContact O-N 2.88Å; L665-L669 HydrophobicContact CD1-CD1 3.9Å; L665-L669 HydrophobicContact CD1-CD2 4.43Å; L665-L669 HydrophobicContact CD1-CG 3.88Å; L665-L669 HydrophobicContact CG-CD1 4.01Å; L665-L669 HydrophobicContact CG-CG 4.39Å; L665-L669 WeakPolarHBondContact O-CB 3.33Å; L665-L669 VanDerWaalsContact O-CG 3.27Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 3.12Å; L665-L684 HydrophobicContact CD2-CD1 4.36Å; L665-L684 HydrophobicContact CD2-CD2 4.04Å; L665-F750 HydrophobicContact CG-CE1 4.49Å; L665-F750 HydrophobicContact CG-CZ 4.46Å
666	K	86.1	Confident	66.8	Low	16 Å²	16	68.4 Å²	68.4	7%	0.07	41%	0.407	C	S	.	.	H	α-helix	trans	-58	-48.9	176.5	-172.2	-171.9	-178.2	-170.6	0	112.1	T664 A670 P680 F750 T751 D753	T664-K666 PolarHBondContact O-N 2.9Å; K666-A670 PolarHBondContact O-N 3.08Å; K666-A670 VanDerWaalsContact O-N 3.11Å; K666-P680 HydrophobicContact CD-CB 4.41Å; K666-P680 HydrophobicContact CG-CB 3.85Å; K666-F750 HydrophobicContact CB-CD1 3.67Å; K666-F750 HydrophobicContact CB-CE1 3.86Å; K666-F750 HydrophobicContact CB-CG 4.2Å; K666-F750 HydrophobicContact CB-CZ 4.49Å; K666-F750 HydrophobicContact CD-CB 3.88Å; K666-F750 HydrophobicContact CD-CD1 4.25Å; K666-F750 HydrophobicContact CD-CG 4.16Å; K666-F750 HydrophobicContact CG-CB 4.12Å; K666-F750 HydrophobicContact CG-CD1 3.85Å; K666-F750 HydrophobicContact CG-CD2 4.34Å; K666-F750 HydrophobicContact CG-CE1 4.36Å; K666-F750 HydrophobicContact CG-CG 3.85Å; K666-T751 PolarHBondContact NZ-O 2.82Å; K666-D753 IonicContact NZ-OD1 3.52Å; K666-D753 PolarHBondContact NZ-OD1 3.15Å; K666-D753 IonicContact NZ-OD2 3.44Å; K666-D753 PolarHBondContact NZ-OD2 2.82Å
667	Q	83.1	Confident	67.6	Low	109 Å²	109	72.8 Å²	72.8	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-40.4	178.5	-71.8	167.1	-18.5	0	0	111.8	T663 T664 A670 Q671	T663-Q667 HydrophobicContact CG2-CB 3.8Å; T664-Q667 VanDerWaalsContact N-OE1 3.08Å; T664-Q667 PolarHBondContact O-N 3.37Å; T664-Q667 WeakPolarHBondContact OG1-CG 3.33Å; T664-Q667 PolarHBondContact OG1-N 3.03Å; T664-Q667 PolarHBondContact OG1-OE1 2.93Å; Q667-A670 WeakPolarHBondContact O-CB 3.22Å; Q667-A670 PolarHBondContact O-N 2.81Å; Q667-Q671 PolarHBondContact O-N 3.4Å; Q667-Q671 VanDerWaalsContact O-N 3.08Å
668	F	84.1	Confident	68.5	Low	2 Å²	2	70.4 Å²	70.4	1%	0.009	41%	0.408	C	S	.	.	H	α-helix	trans	-62.6	-44.3	178	-176.2	-100.6	0	0	0	112.2	T591 L593 F596 I659 T663 T664 L665 Q671 K672	T591-F668 WeakPolarHBondContact O-CZ 3.4Å; L593-F668 HydrophobicContact CD2-CD1 3.79Å; L593-F668 HydrophobicContact CD2-CE1 3.58Å; L593-F668 HydrophobicContact CG-CE1 3.88Å; F596-F668 HydrophobicContact CD2-CB 4.36Å; F596-F668 HydrophobicContact CD2-CD1 4.05Å; F596-F668 HydrophobicContact CD2-CG 4.18Å; F596-F668 HydrophobicContact CE2-CB 3.53Å; F596-F668 AromaticContact CE2-CD1 3.8Å; F596-F668 HydrophobicContact CE2-CD1 3.8Å; F596-F668 AromaticContact CE2-CD2 3.93Å; F596-F668 HydrophobicContact CE2-CD2 3.93Å; F596-F668 HydrophobicContact CE2-CE1 4.49Å; F596-F668 AromaticContact CE2-CG 3.46Å; F596-F668 HydrophobicContact CE2-CG 3.46Å; F596-F668 VanDerWaalsContact CE2-CG 3.46Å; F596-F668 HydrophobicContact CZ-CB 3.98Å; F596-F668 HydrophobicContact CZ-CG 4.31Å; I659-F668 HydrophobicContact CD1-CD2 4Å; I659-F668 HydrophobicContact CD1-CE2 3.34Å; I659-F668 HydrophobicContact CD1-CZ 4.14Å; I659-F668 HydrophobicContact CG1-CD2 4.38Å; I659-F668 HydrophobicContact CG1-CE2 4.02Å; I659-F668 HydrophobicContact CG2-CD2 4.36Å; T663-F668 HydrophobicContact CG2-CB 4.21Å; T664-F668 PolarHBondContact O-N 3.32Å; L665-F668 PolarHBondContact O-N 2.88Å; F668-Q671 PolarHBondContact O-N 3.49Å; F668-K672 HydrophobicContact CD1-CG 4.35Å; F668-K672 HydrophobicContact CE1-CG 3.91Å; F668-K672 HydrophobicContact CE2-CG 4.28Å; F668-K672 HydrophobicContact CZ-CD 4.35Å; F668-K672 VanDerWaalsContact CZ-CE 3.49Å; F668-K672 HydrophobicContact CZ-CG 3.9Å; F668-K672 WeakPolarHBondContact O-CG 3.36Å; F668-K672 PolarHBondContact O-N 3.5Å
669	L	85.6	Confident	70	Confident	0 Å²	0	70 Å²	70	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-65	-40	176.3	-70.8	174.3	0	0	0	112.2	Q580 W583 L593 L665 Q671 K672 I673 P681 L684 F750	Q580-L669 HydrophobicContact CG-CD1 4.18Å; Q580-L669 HydrophobicContact CG-CD2 4.19Å; W583-L669 HydrophobicContact CH2-CD2 3.9Å; W583-L669 HydrophobicContact CZ3-CD2 3.54Å; L593-L669 HydrophobicContact CD2-CD2 4.03Å; L665-L669 HydrophobicContact CD1-CD1 3.9Å; L665-L669 HydrophobicContact CD1-CD2 4.43Å; L665-L669 HydrophobicContact CD1-CG 3.88Å; L665-L669 HydrophobicContact CG-CD1 4.01Å; L665-L669 HydrophobicContact CG-CG 4.39Å; L665-L669 WeakPolarHBondContact O-CB 3.33Å; L665-L669 VanDerWaalsContact O-CG 3.27Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 3.12Å; L669-Q671 VanDerWaalsContact C-N 3.33Å; L669-Q671 PolarHBondContact O-N 2.77Å; L669-K672 PolarHBondContact O-N 3.23Å; L669-I673 HydrophobicContact CB-CD1 4.46Å; L669-I673 HydrophobicContact CD2-CD1 4.48Å; L669-I673 WeakPolarHBondContact O-CB 3.25Å; L669-I673 WeakPolarHBondContact O-CG1 3.31Å; L669-I673 PolarHBondContact O-N 2.95Å; L669-P681 HydrophobicContact CB-CG 3.91Å; L669-P681 HydrophobicContact CD1-CG 4.36Å; L669-L684 HydrophobicContact CD1-CD1 3.7Å; L669-F750 HydrophobicContact CD1-CE2 4.17Å; L669-F750 HydrophobicContact CD1-CZ 3.77Å
670	A	82	Confident	71.1	Confident	15 Å²	15	70.3 Å²	70.3	12%	0.124	41%	0.41	C	S	.	.	H	α-helix	trans	-56.8	-48.2	174.8	0	0	0	0	0	111.4	K666 Q667 K672 G674 P680	K666-A670 PolarHBondContact O-N 3.08Å; K666-A670 VanDerWaalsContact O-N 3.11Å; Q667-A670 WeakPolarHBondContact O-CB 3.22Å; Q667-A670 PolarHBondContact O-N 2.81Å; A670-K672 PolarHBondContact O-N 3.01Å; A670-G674 PolarHBondContact O-N 3.44Å; A670-P680 HydrophobicContact CB-CB 3.9Å
671	Q	81.1	Confident	72.5	Confident	122 Å²	122	67.7 Å²	67.7	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-40.8	179.3	-171.7	-177.7	13.4	0	0	112.4	Q667 F668 L669 G675	Q667-Q671 PolarHBondContact O-N 3.4Å; Q667-Q671 VanDerWaalsContact O-N 3.08Å; F668-Q671 PolarHBondContact O-N 3.49Å; L669-Q671 VanDerWaalsContact C-N 3.33Å; L669-Q671 PolarHBondContact O-N 2.77Å; Q671-G675 PolarHBondContact O-N 2.67Å
672	K	79.3	Confident	73.9	Confident	91 Å²	91	68.9 Å²	68.9	40%	0.396	38%	0.382	S	S	.	.	H	α-helix	trans	-79.7	-38	-175.7	-74.3	-71.9	-170.2	174.7	0	114.1	W583 T591 F668 L669 A670	W583-K672 HydrophobicContact CH2-CB 4.1Å; W583-K672 HydrophobicContact CZ2-CB 3.97Å; T591-K672 WeakPolarHBondContact O-CE 3.42Å; T591-K672 PolarHBondContact O-NZ 2.83Å; F668-K672 HydrophobicContact CD1-CG 4.35Å; F668-K672 HydrophobicContact CE1-CG 3.91Å; F668-K672 HydrophobicContact CE2-CG 4.28Å; F668-K672 HydrophobicContact CZ-CD 4.35Å; F668-K672 VanDerWaalsContact CZ-CE 3.49Å; F668-K672 HydrophobicContact CZ-CG 3.9Å; F668-K672 WeakPolarHBondContact O-CG 3.36Å; F668-K672 PolarHBondContact O-N 3.5Å; L669-K672 PolarHBondContact O-N 3.23Å; A670-K672 PolarHBondContact O-N 3.01Å
673	I	77.6	Confident	75.1	Confident	68 Å²	68	65.5 Å²	65.5	35%	0.349	36%	0.359	S	S	.	.	H	α-helix	trans	-84.1	-43.7	-174.4	-60.8	176.6	0	0	0	111.4	Q580 W583 L669	Q580-I673 HydrophobicContact CB-CD1 4.2Å; Q580-I673 HydrophobicContact CG-CD1 4.32Å; W583-I673 HydrophobicContact CH2-CD1 3.98Å; W583-I673 HydrophobicContact CH2-CG1 3.5Å; W583-I673 HydrophobicContact CZ2-CG1 4.37Å; W583-I673 HydrophobicContact CZ3-CD1 4.14Å; W583-I673 HydrophobicContact CZ3-CG1 4.17Å; L669-I673 HydrophobicContact CB-CD1 4.46Å; L669-I673 HydrophobicContact CD2-CD1 4.48Å; L669-I673 WeakPolarHBondContact O-CB 3.25Å; L669-I673 WeakPolarHBondContact O-CG1 3.31Å; L669-I673 PolarHBondContact O-N 2.95Å
674	G	67	Low	75.8	Confident	45 Å²	45	64.6 Å²	64.6	46%	0.464	35%	0.354	S	S	.	.	H	α-helix	trans	-118	0.6	-168.9	0	0	0	0	0	115.8	A670 A678	A670-G674 PolarHBondContact O-N 3.44Å; G674-A678 VanDerWaalsContact C-CB 3.4Å; G674-A678 VanDerWaalsContact O-CB 3.3Å; G674-A678 WeakPolarHBondContact O-CB 3.42Å
675	G	59.1	Low	76.1	Confident	34 Å²	34	64.1 Å²	64.1	35%	0.351	35%	0.349	S	S	.	.			trans	73	-170.8	-176.9	0	0	0	0	0	113.2	Q671 E677 A678	Q671-G675 PolarHBondContact O-N 2.67Å; G675-E677 PolarHBondContact O-N 2.71Å; G675-A678 PolarHBondContact O-N 3.4Å
676	S	53.2	Low	76.4	Confident	131 Å²	131	64 Å²	64	92%	0.916	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.3	-164.8	-33.6	0	0	0	0	116
677	E	52.5	Low	76.7	Confident	197 Å²	197	64 Å²	64	92%	0.921	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	9.4	-172.8	-66.5	-171.6	164.4	0	0	114	G675	G675-E677 PolarHBondContact O-N 2.71Å
678	A	58.1	Low	77.2	Confident	38 Å²	38	58.9 Å²	58.9	31%	0.314	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-82.9	142.3	-179.1	0	0	0	0	0	113.6	G674 G675	G674-A678 VanDerWaalsContact C-CB 3.4Å; G674-A678 VanDerWaalsContact O-CB 3.3Å; G674-A678 WeakPolarHBondContact O-CB 3.42Å; G675-A678 PolarHBondContact O-N 3.4Å
679	Q	64.7	Low	77.6	Confident	182 Å²	182	60 Å²	60	85%	0.85	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-61.3	137.8	167.7	-71.1	-176.3	-17.7	0	0	109.8
680	P	69.3	Low	77.9	Confident	35 Å²	35	60 Å²	60	23%	0.227	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-58.2	147.3	175	21	-29	0	0	0	110.6	K666 A670 K682 D753	K666-P680 HydrophobicContact CD-CB 4.41Å; K666-P680 HydrophobicContact CG-CB 3.85Å; A670-P680 HydrophobicContact CB-CB 3.9Å; P680-K682 PolarHBondContact O-N 3.02Å; P680-D753 WeakPolarHBondContact CG-OD2 3.35Å
681	P	77.1	Confident	78.4	Confident	29 Å²	29	62 Å²	62	19%	0.188	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-56.5	140.9	173	25.5	-33.3	0	0	0	109.4	L669 F750	L669-P681 HydrophobicContact CB-CG 3.91Å; L669-P681 HydrophobicContact CD1-CG 4.36Å; P681-F750 HydrophobicContact CG-CE2 4.14Å; P681-F750 WeakPolarHBondContact O-CD2 3.26Å
682	K	82.9	Confident	79.1	Confident	157 Å²	157	56.2 Å²	56.2	68%	0.683	31%	0.308	S	S	*	.	S	Bend	trans	-66.6	-39.8	179	-175.2	-173.2	173.2	-167.1	0	111.9	P680 F750	P680-K682 PolarHBondContact O-N 3.02Å; K682-F750 PolarHBondContact O-N 3.27Å
683	D	87.2	Confident	79.7	Confident	40 Å²	40	52.8 Å²	52.8	21%	0.214	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.1	-173.2	-54.9	-54.2	0	0	0	109.8	Q580 R748 T749	Q580-D683 PolarHBondContact NE2-O 2.8Å; D683-R748 CarbonylContact C-O 3.55Å; D683-R748 WeakPolarHBondContact CA-O 3.46Å; D683-T749 VanDerWaalsContact OD1-CA 3.22Å; D683-T749 WeakPolarHBondContact OD1-CA 3.47Å; D683-T749 VanDerWaalsContact OD1-CB 3.23Å; D683-T749 WeakPolarHBondContact OD1-CB 3.49Å; D683-T749 WeakPolarHBondContact OD1-CG2 3.36Å; D683-T749 PolarHBondContact OD1-OG1 2.71Å
684	L	90.5	Very high	80.4	Confident	1 Å²	1	50 Å²	50	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121	160.7	-176.6	72.4	0	0	0	108.9	Y551 Q580 V609 L665 L669 L686 F747 R748 F750	Y551-L684 WeakPolarHBondContact OH-CD2 3.28Å; Q580-L684 HydrophobicContact CG-CD1 4Å; V609-L684 HydrophobicContact CG1-CD2 4.12Å; V609-L684 HydrophobicContact CG2-CD2 4.42Å; L665-L684 HydrophobicContact CD2-CD1 4.36Å; L665-L684 HydrophobicContact CD2-CD2 4.04Å; L669-L684 HydrophobicContact CD1-CD1 3.7Å; L684-L686 HydrophobicContact CD1-CD2 4.39Å; L684-L686 HydrophobicContact CD2-CD1 3.93Å; L684-L686 HydrophobicContact CD2-CD2 4.14Å; L684-L686 HydrophobicContact CD2-CG 4.04Å; L684-L686 HydrophobicContact CG-CD1 4.48Å; L684-L686 HydrophobicContact CG-CD2 4.14Å; L684-L686 HydrophobicContact CG-CG 4.07Å; L684-F747 WeakPolarHBondContact O-CA 3.35Å; L684-R748 HydrophobicContact CB-CB 4.2Å; L684-R748 PolarHBondContact N-O 2.84Å; L684-R748 PolarHBondContact O-N 3.45Å; L684-F750 HydrophobicContact CB-CE2 3.86Å; L684-F750 HydrophobicContact CB-CZ 3.7Å; L684-F750 HydrophobicContact CD1-CZ 4.29Å; L684-F750 HydrophobicContact CG-CZ 4.5Å
685	I	91.4	Very high	81.3	Confident	32 Å²	32	51 Å²	51	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.5	177.7	-53	177.1	0	0	0	108.6	Q580 T745 F747	Q580-I685 PolarHBondContact N-O 2.84Å; I685-T745 HydrophobicContact CG2-CG2 3.57Å; I685-F747 HydrophobicContact CD1-CE1 4.16Å; I685-F747 HydrophobicContact CG1-CD1 3.98Å; I685-F747 HydrophobicContact CG1-CE1 3.96Å; I685-F747 HydrophobicContact CG2-CE1 4.16Å
686	L	92.7	Very high	82.3	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	111.1	175.6	-58.3	172.4	0	0	0	108.5	V553 W577 I579 I597 L607 V609 L684 T745 A746	V553-L686 HydrophobicContact CB-CD1 4.28Å; V553-L686 HydrophobicContact CG2-CD1 3.83Å; W577-L686 HydrophobicContact CE3-CB 4.48Å; W577-L686 HydrophobicContact CZ3-CB 4.29Å; I579-L686 HydrophobicContact CB-CD2 4.36Å; I579-L686 HydrophobicContact CG1-CD2 4Å; I579-L686 HydrophobicContact CG2-CD2 4.02Å; I597-L686 HydrophobicContact CD1-CD2 4.44Å; L607-L686 HydrophobicContact CD1-CD2 4.22Å; V609-L686 HydrophobicContact CG2-CD1 3.9Å; L684-L686 HydrophobicContact CD1-CD2 4.39Å; L684-L686 HydrophobicContact CD2-CD1 3.93Å; L684-L686 HydrophobicContact CD2-CD2 4.14Å; L684-L686 HydrophobicContact CD2-CG 4.04Å; L684-L686 HydrophobicContact CG-CD1 4.48Å; L684-L686 HydrophobicContact CG-CD2 4.14Å; L684-L686 HydrophobicContact CG-CG 4.07Å; L686-T745 WeakPolarHBondContact O-CA 3.46Å; L686-A746 HydrophobicContact CB-CB 4.37Å; L686-A746 PolarHBondContact N-O 3.39Å; L686-A746 PolarHBondContact O-N 3.04Å
687	S	92.6	Very high	83.7	Confident	14 Å²	14	54.7 Å²	54.7	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.7	-176.6	-63.3	0	0	0	0	110.4	I578 W689 L744 T745	I578-S687 PolarHBondContact N-O 3.3Å; I578-S687 PolarHBondContact O-N 3Å; S687-W689 PolarHBondContact O-N 2.67Å; S687-L744 CarbonylContact C-O 3.59Å; S687-L744 WeakPolarHBondContact CA-O 3.45Å; S687-T745 WeakPolarHBondContact OG-CG2 3.37Å; S687-T745 PolarHBondContact OG-OG1 2.71Å
688	C	93.3	Very high	85.2	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	121.7	170.6	-178	0	0	0	0	109.6	P537 C555 W577 L744	P537-C688 HydrophobicContact CG-CB 3.78Å; C555-C688 HydrophobicContact CB-CB 3.57Å; C555-C688 WeakPolarHBondContact CB-SG 3.16Å; C555-C688 WeakPolarHBondContact SG-CB 3.42Å; C555-C688 CovalentContact SG-SG 2.03Å; C555-C688 PolarHBondContact SG-SG 2.63Å; W577-C688 HydrophobicContact CE3-CB 4.49Å; W577-C688 HydrophobicContact CH2-CB 4.32Å; W577-C688 HydrophobicContact CZ3-CB 4.16Å; C688-L744 HydrophobicContact CB-CD2 4.26Å; C688-L744 PolarHBondContact N-O 2.77Å
689	W	92.1	Very high	86.7	Confident	25 Å²	25	48.7 Å²	48.7	10%	0.095	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	98.2	-175.8	-177.8	28.8	0	0	0	110.6	I575 D576 I578 T584 S687 R691 D731	I575-W689 CarbonylContact C-O 3.59Å; I575-W689 WeakPolarHBondContact CA-O 3.24Å; D576-W689 HydrophobicContact CB-CB 4.38Å; D576-W689 HydrophobicContact CB-CD2 4.35Å; D576-W689 HydrophobicContact CB-CE3 3.69Å; D576-W689 HydrophobicContact CB-CZ3 4.38Å; D576-W689 PolarHBondContact N-O 2.91Å; D576-W689 WeakPolarHBondContact O-CA 3.19Å; D576-W689 WeakPolarHBondContact O-CB 3.14Å; D576-W689 PolarHBondContact O-N 3.13Å; I578-W689 HydrophobicContact CD1-CB 3.81Å; I578-W689 HydrophobicContact CD1-CD2 4.01Å; I578-W689 HydrophobicContact CD1-CE3 4.46Å; I578-W689 HydrophobicContact CD1-CG 3.71Å; I578-W689 HydrophobicContact CG1-CB 3.91Å; I578-W689 HydrophobicContact CG1-CD2 4.23Å; I578-W689 HydrophobicContact CG1-CE3 4.21Å; I578-W689 HydrophobicContact CG1-CG 4.12Å; T584-W689 HydrophobicContact CG2-CE3 4.26Å; T584-W689 HydrophobicContact CG2-CZ3 3.87Å; S687-W689 PolarHBondContact O-N 2.67Å; W689-R691 VanDerWaalsContact CZ2-CD 3.47Å; W689-R691 HydrophobicContact CZ2-CG 4.17Å; W689-D731 PolarHBondContact NE1-OD1 3.05Å
690	I	93.1	Very high	88	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.2	174.9	-64.9	154.1	0	0	0	110.2	P531 L533 L557 S574 I575 L692 Y730 S732 L744	P531-I690 HydrophobicContact CB-CD1 4.18Å; P531-I690 HydrophobicContact CB-CG2 4.46Å; P531-I690 HydrophobicContact CG-CG2 4.03Å; L533-I690 HydrophobicContact CD2-CD1 3.86Å; L557-I690 HydrophobicContact CD2-CD1 3.62Å; L557-I690 HydrophobicContact CD2-CG1 4.23Å; L557-I690 HydrophobicContact CD2-CG2 4.45Å; L557-I690 HydrophobicContact CG-CD1 4.32Å; S574-I690 WeakPolarHBondContact O-CA 3.26Å; I575-I690 HydrophobicContact CG1-CG1 4.31Å; I690-L692 HydrophobicContact CG2-CD2 4.15Å; I690-Y730 HydrophobicContact CB-CE1 4.47Å; I690-Y730 HydrophobicContact CG2-CE1 4.21Å; I690-S732 PolarHBondContact N-OG 3.1Å; I690-S732 WeakPolarHBondContact O-CB 3.44Å; I690-S732 PolarHBondContact O-N 3.08Å; I690-S732 PolarHBondContact O-OG 2.9Å; I690-L744 HydrophobicContact CD1-CD2 3.61Å
691	R	92.5	Very high	89.1	Confident	58 Å²	58	43 Å²	43	22%	0.219	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.5	175	-78.5	179.3	-69.3	-176.8	-4.1	109.8	P573 S574 D576 W689 L728 Y730	P573-R691 CarbonylContact C-O 3.55Å; P573-R691 WeakPolarHBondContact CA-O 3.41Å; S574-R691 PolarHBondContact N-O 3.13Å; S574-R691 PolarHBondContact O-N 2.93Å; S574-R691 WeakPolarHBondContact OG-CB 3.36Å; S574-R691 PolarHBondContact OG-O 3.17Å; D576-R691 IonicContact OD2-NH2 3.05Å; W689-R691 VanDerWaalsContact CZ2-CD 3.47Å; W689-R691 HydrophobicContact CZ2-CG 4.17Å; R691-L728 HydrophobicContact CB-CD1 3.63Å; R691-L728 HydrophobicContact CG-CD1 3.92Å; R691-Y730 WeakPolarHBondContact CA-O 3.39Å
692	L	94.3	Very high	89.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.1	175.5	-52.1	-179	0	0	0	109.9	M426 W565 I571 P573 I690 L728 I729 Y730	M426-L692 HydrophobicContact CE-CD1 4.02Å; M426-L692 HydrophobicContact SD-CD1 4.42Å; W565-L692 HydrophobicContact CD2-CD1 4.33Å; W565-L692 HydrophobicContact CD2-CD2 4.18Å; W565-L692 HydrophobicContact CE3-CD2 3.77Å; W565-L692 HydrophobicContact CH2-CD1 4.09Å; W565-L692 HydrophobicContact CH2-CD2 3.7Å; W565-L692 HydrophobicContact CZ2-CD1 3.65Å; W565-L692 HydrophobicContact CZ2-CD2 4.09Å; W565-L692 HydrophobicContact CZ3-CD2 3.52Å; I571-L692 HydrophobicContact CG2-CB 3.73Å; I571-L692 HydrophobicContact CG2-CD2 4.36Å; I571-L692 HydrophobicContact CG2-CG 4.42Å; P573-L692 HydrophobicContact CB-CD2 3.73Å; I690-L692 HydrophobicContact CG2-CD2 4.15Å; L692-L728 WeakPolarHBondContact O-CA 3.36Å; L692-L728 WeakPolarHBondContact O-CD1 3.44Å; L692-I729 HydrophobicContact CB-CG2 3.83Å; L692-I729 WeakPolarHBondContact O-CG2 3.32Å; L692-I729 PolarHBondContact O-N 3.41Å; L692-Y730 HydrophobicContact CD1-CD1 4.1Å; L692-Y730 HydrophobicContact CD1-CG 4.07Å; L692-Y730 HydrophobicContact CG-CD1 3.86Å; L692-Y730 HydrophobicContact CG-CG 4.19Å; L692-Y730 PolarHBondContact N-O 2.88Å; L692-Y730 PolarHBondContact O-N 3.24Å
693	S	92.9	Very high	89.6	Confident	19 Å²	19	43.7 Å²	43.7	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.5	-179.6	-64.6	0	0	0	0	110.2	I571 E572 T695 R727	I571-S693 CarbonylContact C-O 3.56Å; I571-S693 WeakPolarHBondContact CA-O 3.43Å; E572-S693 PolarHBondContact N-O 2.95Å; E572-S693 PolarHBondContact O-N 3Å; S693-T695 PolarHBondContact O-N 2.82Å; S693-R727 WeakPolarHBondContact CA-O 3.42Å
694	V	91.9	Very high	89.2	Confident	8 Å²	8	42.6 Å²	42.6	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.6	175.2	-179.6	0	0	0	0	109.2	Y424 I571 A699 F701 R727 I729	Y424-V694 HydrophobicContact CD2-CG1 4.41Å; Y424-V694 HydrophobicContact CD2-CG2 4.06Å; Y424-V694 HydrophobicContact CE2-CG1 4.08Å; Y424-V694 HydrophobicContact CE2-CG2 4.4Å; I571-V694 HydrophobicContact CD1-CG2 4.3Å; I571-V694 HydrophobicContact CG1-CG2 3.93Å; V694-A699 HydrophobicContact CG1-CB 4.16Å; V694-F701 HydrophobicContact CB-CD1 4.4Å; V694-F701 HydrophobicContact CB-CE1 3.66Å; V694-F701 HydrophobicContact CB-CZ 4.28Å; V694-F701 HydrophobicContact CG1-CE1 4.21Å; V694-F701 HydrophobicContact CG2-CD1 3.75Å; V694-F701 HydrophobicContact CG2-CE1 3.41Å; V694-F701 VanDerWaalsContact CG2-CE1 3.41Å; V694-F701 HydrophobicContact CG2-CZ 4.02Å; V694-R727 HydrophobicContact CB-CB 4.34Å; V694-R727 PolarHBondContact N-O 2.89Å; V694-R727 WeakPolarHBondContact O-CB 3.4Å; V694-I729 HydrophobicContact CG2-CB 3.87Å; V694-I729 HydrophobicContact CG2-CD1 4.25Å; V694-I729 HydrophobicContact CG2-CG2 3.81Å
695	T	86.7	Confident	88.1	Confident	66 Å²	66	48.6 Å²	48.6	41%	0.405	25%	0.252	S	S	.	.			trans	-87	135.8	173.6	68.4	0	0	0	0	109.6	N570 E572 S693	N570-T695 WeakPolarHBondContact CB-OG1 3.18Å; N570-T695 WeakPolarHBondContact O-CA 3.46Å; N570-T695 WeakPolarHBondContact O-CB 3.43Å; N570-T695 PolarHBondContact O-N 3.17Å; N570-T695 PolarHBondContact O-OG1 2.62Å; E572-T695 HydrophobicContact CB-CG2 4.12Å; S693-T695 PolarHBondContact O-N 2.82Å
696	G	79.6	Confident	86.4	Confident	53 Å²	53	47.6 Å²	47.6	55%	0.546	25%	0.25	S	S	.	.	S	Bend	trans	94.3	176.5	-174.4	0	0	0	0	0	114.3	R727	G696-R727 WeakPolarHBondContact O-CD 3.23Å; G696-R727 PolarHBondContact O-NH1 3.29Å
697	K	83.1	Confident	84.6	Confident	190 Å²	190	51.3 Å²	51.3	83%	0.826	27%	0.27	S	S	*	.	S	Bend	trans	-112.1	-1.5	-174.9	-65.3	-175.8	179.6	179.8	0	114.2
698	E	83.8	Confident	82.5	Confident	105 Å²	105	56.7 Å²	56.7	49%	0.491	30%	0.296	S	S	.	.	S	Bend	trans	-83.1	-52.9	-167.7	-61.6	179.7	-176.9	0	0	113.3	Y20 E700	Y20-E698 WeakPolarHBondContact CE1-OE2 3.23Å; Y20-E698 VanDerWaalsContact OH-CD 3.25Å; Y20-E698 PolarHBondContact OH-OE2 3.37Å; E698-E700 PolarHBondContact O-N 3.16Å
699	A	89.5	Confident	80.2	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.033	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.4	178.4	0	0	0	0	0	110.9	L422 Y424 V694 R727	L422-A699 HydrophobicContact CD2-CB 3.54Å; L422-A699 HydrophobicContact CG-CB 3.88Å; Y424-A699 HydrophobicContact CD1-CB 4.05Å; Y424-A699 HydrophobicContact CD2-CB 3.57Å; Y424-A699 HydrophobicContact CE1-CB 3.85Å; Y424-A699 HydrophobicContact CE2-CB 3.32Å; Y424-A699 HydrophobicContact CG-CB 3.93Å; Y424-A699 VanDerWaalsContact CZ-CB 3.47Å; V694-A699 HydrophobicContact CG1-CB 4.16Å; A699-R727 PolarHBondContact O-NH1 3.47Å; A699-R727 PolarHBondContact O-NH2 2.79Å
700	E	92.2	Very high	77.6	Confident	75 Å²	75	64.7 Å²	64.7	35%	0.35	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	159.7	168.3	-63.5	-72.8	-160	0	0	110.9	K420 L422 F423 Y424 E698 R727	K420-E700 HydrophobicContact CB-CB 4.05Å; K420-E700 HydrophobicContact CB-CG 4.01Å; K420-E700 HydrophobicContact CD-CG 4.04Å; K420-E700 HydrophobicContact CG-CB 3.85Å; K420-E700 HydrophobicContact CG-CG 3.8Å; L422-E700 PolarHBondContact O-N 3.29Å; F423-E700 CarbonylContact C-O 3.56Å; F423-E700 VanDerWaalsContact CA-O 3.31Å; F423-E700 WeakPolarHBondContact CA-O 3.26Å; F423-E700 HydrophobicContact CD2-CB 3.96Å; F423-E700 HydrophobicContact CE2-CB 4.23Å; Y424-E700 PolarHBondContact N-O 2.86Å; E698-E700 PolarHBondContact O-N 3.16Å; E700-R727 IonicContact OE2-NH2 2.73Å; E700-R727 PolarHBondContact OE2-NH2 3.3Å
701	F	92.7	Very high	74.8	Confident	24 Å²	24	72.6 Å²	72.6	11%	0.105	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	162.7	-178.7	50.5	-89.8	0	0	0	110.2	Y424 V694 R727 L728 I729	Y424-F701 VanDerWaalsContact O-CB 3.31Å; Y424-F701 WeakPolarHBondContact O-CB 3.4Å; V694-F701 HydrophobicContact CB-CD1 4.4Å; V694-F701 HydrophobicContact CB-CE1 3.66Å; V694-F701 HydrophobicContact CB-CZ 4.28Å; V694-F701 HydrophobicContact CG1-CE1 4.21Å; V694-F701 HydrophobicContact CG2-CD1 3.75Å; V694-F701 HydrophobicContact CG2-CE1 3.41Å; V694-F701 VanDerWaalsContact CG2-CE1 3.41Å; V694-F701 HydrophobicContact CG2-CZ 4.02Å; F701-R727 HydrophobicContact CE1-CB 4.26Å; F701-R727 HydrophobicContact CZ-CB 3.8Å; F701-R727 WeakPolarHBondContact CZ-O 3.49Å; F701-L728 VanDerWaalsContact CE2-O 3.31Å; F701-L728 WeakPolarHBondContact CE2-O 3.13Å; F701-I729 HydrophobicContact CB-CD1 3.59Å; F701-I729 HydrophobicContact CB-CG1 3.83Å; F701-I729 HydrophobicContact CD1-CB 4.37Å; F701-I729 HydrophobicContact CD1-CD1 4.15Å; F701-I729 HydrophobicContact CD1-CG1 4.41Å; F701-I729 HydrophobicContact CD2-CB 3.63Å; F701-I729 HydrophobicContact CD2-CD1 4.22Å; F701-I729 HydrophobicContact CD2-CG1 3.65Å; F701-I729 HydrophobicContact CE2-CB 3.82Å; F701-I729 HydrophobicContact CE2-CG1 4.36Å; F701-I729 HydrophobicContact CG-CB 3.94Å; F701-I729 HydrophobicContact CG-CD1 3.72Å; F701-I729 HydrophobicContact CG-CG1 3.69Å; F701-I729 HydrophobicContact CZ-CB 4.26Å
702	E	87	Confident	72.3	Confident	106 Å²	106	74.4 Å²	74.4	50%	0.495	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-74.3	130	172.1	-65.1	-172.1	169.4	0	0	110.6	F423	F423-E702 HydrophobicContact CZ-CG 4.05Å
703	I	83.4	Confident	69.7	Low	93 Å²	93	79.9 Å²	79.9	48%	0.477	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-70.3	136.3	174.9	-58.8	173.9	0	0	0	108.2	N705 L707	I703-N705 PolarHBondContact O-N 2.61Å; I703-L707 HydrophobicContact CG2-CB 4.06Å; I703-L707 HydrophobicContact CG2-CD1 3.58Å; I703-L707 HydrophobicContact CG2-CG 4.47Å
704	P	77.6	Confident	67.1	Low	18 Å²	18	80 Å²	80	12%	0.117	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-50.6	127.3	176.2	-28	33.8	0	0	0	112.9	G706 L707 L728 D731	P704-G706 PolarHBondContact O-N 2.89Å; P704-L707 PolarHBondContact O-N 3.24Å; P704-L728 VanDerWaalsContact CD-O 3.27Å; P704-L728 WeakPolarHBondContact CD-O 3.38Å; P704-D731 HydrophobicContact CB-CB 4.48Å; P704-D731 HydrophobicContact CG-CB 4.47Å
705	N	66.9	Low	64.4	Low	126 Å²	126	89.8 Å²	89.8	67%	0.674	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-34.3	-173.1	-71.3	-24.3	0	0	0	115.1	I703 L707 I708	I703-N705 PolarHBondContact O-N 2.61Å; N705-L707 VanDerWaalsContact C-N 3.27Å; N705-L707 PolarHBondContact O-N 3.2Å; N705-I708 PolarHBondContact O-N 3.35Å; N705-I708 VanDerWaalsContact O-N 3.16Å
706	G	57.5	Low	61.9	Low	11 Å²	11	93.1 Å²	93.1	11%	0.113	47%	0.474	C	S	.	.	H	α-helix	trans	-71.2	-14.4	-176.4	0	0	0	0	0	115.9	P704 I708 W734	P704-G706 PolarHBondContact O-N 2.89Å; G706-I708 VanDerWaalsContact C-N 3.29Å; G706-W734 VanDerWaalsContact CA-CE2 3.4Å
707	L	52.9	Low	59.9	Low	80 Å²	80	92.4 Å²	92.4	42%	0.419	46%	0.463	S	S	.	.	H	α-helix	trans	-75.9	-19.2	171.6	-76.2	163.7	0	0	0	112.6	I703 P704 N705 L728	I703-L707 HydrophobicContact CG2-CB 4.06Å; I703-L707 HydrophobicContact CG2-CD1 3.58Å; I703-L707 HydrophobicContact CG2-CG 4.47Å; P704-L707 PolarHBondContact O-N 3.24Å; N705-L707 VanDerWaalsContact C-N 3.27Å; N705-L707 PolarHBondContact O-N 3.2Å; L707-L728 HydrophobicContact CD1-CD2 4.01Å
708	I	50.6	Low	57.5	Low	126 Å²	126	88.6 Å²	88.6	65%	0.646	45%	0.449	S	S	*	.	H	α-helix	trans	-94.1	-26.4	-175.3	-56.5	171.5	0	0	0	111.6	N705 G706	N705-I708 PolarHBondContact O-N 3.35Å; N705-I708 VanDerWaalsContact O-N 3.16Å; G706-I708 VanDerWaalsContact C-N 3.29Å
709	S	44.2	Very low	55	Low	85 Å²	85	92.6 Å²	92.6	59%	0.594	47%	0.465	S	S	*	.	H	α-helix	trans	-112.5	-10.6	-162.2	-52.6	0	0	0	0	117.4
710	H	36.4	Very low	52.4	Low	112 Å²	112	95.8 Å²	95.8	52%	0.519	49%	0.491	S	S	.	.			trans	-132.5	96.4	-176.6	-75.3	-73.7	0	0	0	114.2	S712	H710-S712 VanDerWaalsContact C-N 3.32Å
711	H	35.7	Very low	49.6	Very low	166 Å²	166	98 Å²	98	77%	0.769	50%	0.501	S	S	*	.			trans	-75.2	-11.5	169.3	-83.9	-61.3	0	0	0	114.5	A714	H711-A714 WeakPolarHBondContact O-CB 3.32Å; H711-A714 PolarHBondContact O-N 3.32Å
712	S	38.4	Very low	46.7	Very low	96 Å²	96	102 Å²	102	67%	0.671	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.6	-174.4	52	0	0	0	0	114	H710	H710-S712 VanDerWaalsContact C-N 3.32Å
713	F	40.8	Very low	44.2	Very low	114 Å²	114	100.1 Å²	100.1	50%	0.5	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.9	173.2	-101	-88.6	0	0	0	113.4	N581 R715	N581-F713 WeakPolarHBondContact O-CE1 3.43Å; N581-F713 WeakPolarHBondContact O-CZ 3.48Å; F713-R715 VanDerWaalsContact C-N 3.28Å; F713-R715 PolarHBondContact O-N 3.34Å
714	A	37.5	Very low	42.4	Very low	21 Å²	21	101.2 Å²	101.2	17%	0.174	55%	0.554	C	S	.	*	H	α-helix	trans	-66.8	-26.3	-178.8	0	0	0	0	0	113	H711 Q716 A717 Q718	H711-A714 WeakPolarHBondContact O-CB 3.32Å; H711-A714 PolarHBondContact O-N 3.32Å; A714-Q716 VanDerWaalsContact C-N 3.27Å; A714-Q716 PolarHBondContact O-N 3.44Å; A714-A717 PolarHBondContact O-N 3.17Å; A714-Q718 VanDerWaalsContact O-CB 3.25Å; A714-Q718 WeakPolarHBondContact O-CB 3.2Å; A714-Q718 WeakPolarHBondContact O-CG 3.31Å; A714-Q718 PolarHBondContact O-N 2.88Å
715	R	35.7	Very low	41.3	Very low	214 Å²	214	105.2 Å²	105.2	81%	0.808	58%	0.578	S	S	*	*	H	α-helix	trans	-65.9	-21.7	-178	-88.1	-172.3	179.8	179.3	0.7	115	F713	F713-R715 VanDerWaalsContact C-N 3.28Å; F713-R715 PolarHBondContact O-N 3.34Å
716	Q	35.1	Very low	41.5	Very low	136 Å²	136	104.7 Å²	104.7	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-104.8	-22.1	175.7	-78.6	174.6	-14.2	0	0	113.3	A714	A714-Q716 VanDerWaalsContact C-N 3.27Å; A714-Q716 PolarHBondContact O-N 3.44Å
717	A	37.5	Very low	43	Very low	38 Å²	38	106.9 Å²	106.9	31%	0.314	58%	0.58	S	S	.	*	H	α-helix	trans	-88.1	-7.5	174.1	0	0	0	0	0	114.2	A714 F719 A720	A714-A717 PolarHBondContact O-N 3.17Å; A717-F719 PolarHBondContact O-N 3.39Å; A717-F719 VanDerWaalsContact O-N 3.1Å; A717-A720 PolarHBondContact O-N 3.43Å
718	Q	33.1	Very low	44.8	Very low	111 Å²	111	104.1 Å²	104.1	52%	0.519	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.3	-14.2	-177.3	-100	172.7	-25.8	0	0	114.8	A714	A714-Q718 VanDerWaalsContact O-CB 3.25Å; A714-Q718 WeakPolarHBondContact O-CB 3.2Å; A714-Q718 WeakPolarHBondContact O-CG 3.31Å; A714-Q718 PolarHBondContact O-N 2.88Å
719	F	30.4	Very low	46.8	Very low	189 Å²	189	98.6 Å²	98.6	83%	0.829	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.9	176.9	-79.3	-80.6	0	0	0	115.3	A717	A717-F719 PolarHBondContact O-N 3.39Å; A717-F719 VanDerWaalsContact O-N 3.1Å
720	A	35.8	Very low	49.1	Very low	71 Å²	71	95.2 Å²	95.2	59%	0.587	51%	0.512	S	S	*	.	S	Bend	trans	-99.6	-1.8	169.1	0	0	0	0	0	113.2	A717 S722	A717-A720 PolarHBondContact O-N 3.43Å; A720-S722 VanDerWaalsContact C-N 3.31Å; A720-S722 PolarHBondContact O-N 3.36Å
721	Q	32.2	Very low	51.7	Low	121 Å²	121	90 Å²	90	57%	0.565	49%	0.488	S	S	*	.			trans	-94.8	49.6	179.1	-67.8	-177	-8.4	0	0	111.4	S723	Q721-S723 VanDerWaalsContact C-N 3.32Å; Q721-S723 PolarHBondContact O-N 2.88Å
722	S	31	Very low	54.4	Low	109 Å²	109	82.7 Å²	82.7	76%	0.762	46%	0.455	S	S	*	.			trans	-87.2	69.7	170.5	67.8	0	0	0	0	110.7	A720	A720-S722 VanDerWaalsContact C-N 3.31Å; A720-S722 PolarHBondContact O-N 3.36Å
723	S	36.5	Very low	56.7	Low	65 Å²	65	83.2 Å²	83.2	46%	0.455	44%	0.442	S	S	.	.			trans	167.8	139.1	144	61.5	0	0	0	0	110.2	Q721 T725	Q721-S723 VanDerWaalsContact C-N 3.32Å; Q721-S723 PolarHBondContact O-N 2.88Å; S723-T725 VanDerWaalsContact CB-OG1 3.28Å; S723-T725 WeakPolarHBondContact CB-OG1 3.38Å; S723-T725 PolarHBondContact O-N 2.87Å; S723-T725 PolarHBondContact OG-OG1 3.32Å
724	A	45.2	Very low	58.8	Low	116 Å²	116	82.7 Å²	82.7	96%	0.959	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	33.6	165.1	0	0	0	0	0	113
725	T	53.9	Low	61.2	Low	103 Å²	103	82.9 Å²	82.9	63%	0.632	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-2.6	-173.7	62.8	0	0	0	0	116.3	S723 R727	S723-T725 VanDerWaalsContact CB-OG1 3.28Å; S723-T725 WeakPolarHBondContact CB-OG1 3.38Å; S723-T725 PolarHBondContact O-N 2.87Å; S723-T725 PolarHBondContact OG-OG1 3.32Å; T725-R727 PolarHBondContact O-N 2.83Å
726	N	70.6	Confident	63.6	Low	114 Å²	114	77.8 Å²	77.8	61%	0.61	43%	0.427	S	S	*	.			trans	-87.5	94.4	176	-80.3	-8.2	0	0	0	111.8	L728	N726-L728 PolarHBondContact O-N 3.43Å
727	R	88.9	Confident	66.1	Low	57 Å²	57	74.5 Å²	74.5	22%	0.215	41%	0.414	C	S	.	.			trans	-72.5	72.9	173.2	-67.9	-170.7	83.5	-146.9	1.3	110.5	S693 V694 G696 A699 E700 F701 T725 I729	S693-R727 WeakPolarHBondContact CA-O 3.42Å; V694-R727 HydrophobicContact CB-CB 4.34Å; V694-R727 PolarHBondContact N-O 2.89Å; V694-R727 WeakPolarHBondContact O-CB 3.4Å; G696-R727 WeakPolarHBondContact O-CD 3.23Å; G696-R727 PolarHBondContact O-NH1 3.29Å; A699-R727 PolarHBondContact O-NH1 3.47Å; A699-R727 PolarHBondContact O-NH2 2.79Å; E700-R727 IonicContact OE2-NH2 2.73Å; E700-R727 PolarHBondContact OE2-NH2 3.3Å; F701-R727 HydrophobicContact CE1-CB 4.26Å; F701-R727 HydrophobicContact CZ-CB 3.8Å; F701-R727 WeakPolarHBondContact CZ-O 3.49Å; T725-R727 PolarHBondContact O-N 2.83Å; R727-I729 PolarHBondContact O-N 3.38Å
728	L	91.1	Very high	68.6	Low	23 Å²	23	77 Å²	77	12%	0.12	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	113	-175.3	-169.8	77.9	0	0	0	112	R691 L692 F701 P704 L707 N726 Y730 D731	R691-L728 HydrophobicContact CB-CD1 3.63Å; R691-L728 HydrophobicContact CG-CD1 3.92Å; L692-L728 WeakPolarHBondContact O-CA 3.36Å; L692-L728 WeakPolarHBondContact O-CD1 3.44Å; F701-L728 VanDerWaalsContact CE2-O 3.31Å; F701-L728 WeakPolarHBondContact CE2-O 3.13Å; P704-L728 VanDerWaalsContact CD-O 3.27Å; P704-L728 WeakPolarHBondContact CD-O 3.38Å; L707-L728 HydrophobicContact CD1-CD2 4.01Å; N726-L728 PolarHBondContact O-N 3.43Å; L728-Y730 WeakPolarHBondContact CD1-O 3.4Å; L728-D731 HydrophobicContact CD2-CB 3.97Å
729	I	91.9	Very high	71.4	Confident	9 Å²	9	76.6 Å²	76.6	5%	0.046	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-26.5	177.7	-173.5	168.3	0	0	0	112.9	Y424 M426 V528 I571 L692 V694 F701 R727	Y424-I729 VanDerWaalsContact CB-CD1 3.47Å; Y424-I729 HydrophobicContact CD2-CD1 4.19Å; Y424-I729 HydrophobicContact CG-CD1 4.36Å; M426-I729 HydrophobicContact CG-CG1 4.25Å; M426-I729 HydrophobicContact SD-CD1 4.32Å; M426-I729 HydrophobicContact SD-CG1 4.16Å; M426-I729 HydrophobicContact SD-CG2 4.49Å; V528-I729 HydrophobicContact CG2-CD1 4.33Å; I571-I729 HydrophobicContact CD1-CG2 4.25Å; L692-I729 HydrophobicContact CB-CG2 3.83Å; L692-I729 WeakPolarHBondContact O-CG2 3.32Å; L692-I729 PolarHBondContact O-N 3.41Å; V694-I729 HydrophobicContact CG2-CB 3.87Å; V694-I729 HydrophobicContact CG2-CD1 4.25Å; V694-I729 HydrophobicContact CG2-CG2 3.81Å; F701-I729 HydrophobicContact CB-CD1 3.59Å; F701-I729 HydrophobicContact CB-CG1 3.83Å; F701-I729 HydrophobicContact CD1-CB 4.37Å; F701-I729 HydrophobicContact CD1-CD1 4.15Å; F701-I729 HydrophobicContact CD1-CG1 4.41Å; F701-I729 HydrophobicContact CD2-CB 3.63Å; F701-I729 HydrophobicContact CD2-CD1 4.22Å; F701-I729 HydrophobicContact CD2-CG1 3.65Å; F701-I729 HydrophobicContact CE2-CB 3.82Å; F701-I729 HydrophobicContact CE2-CG1 4.36Å; F701-I729 HydrophobicContact CG-CB 3.94Å; F701-I729 HydrophobicContact CG-CD1 3.72Å; F701-I729 HydrophobicContact CG-CG1 3.69Å; F701-I729 HydrophobicContact CZ-CB 4.26Å; R727-I729 PolarHBondContact O-N 3.38Å
730	Y	93.1	Very high	74.4	Confident	14 Å²	14	68.1 Å²	68.1	6%	0.055	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.9	-177	173.6	-88	0	0	0	111.4	M426 P531 I690 R691 L692 L728 E735	M426-Y730 HydrophobicContact CE-CD2 3.79Å; M426-Y730 HydrophobicContact CE-CG 4.11Å; M426-Y730 HydrophobicContact CG-CD2 4.41Å; P531-Y730 HydrophobicContact CG-CD1 4.09Å; P531-Y730 HydrophobicContact CG-CE1 3.45Å; P531-Y730 VanDerWaalsContact CG-CE1 3.45Å; P531-Y730 HydrophobicContact CG-CE2 4.42Å; I690-Y730 HydrophobicContact CB-CE1 4.47Å; I690-Y730 HydrophobicContact CG2-CE1 4.21Å; R691-Y730 WeakPolarHBondContact CA-O 3.39Å; L692-Y730 HydrophobicContact CD1-CD1 4.1Å; L692-Y730 HydrophobicContact CD1-CG 4.07Å; L692-Y730 HydrophobicContact CG-CD1 3.86Å; L692-Y730 HydrophobicContact CG-CG 4.19Å; L692-Y730 PolarHBondContact N-O 2.88Å; L692-Y730 PolarHBondContact O-N 3.24Å; L728-Y730 WeakPolarHBondContact CD1-O 3.4Å; Y730-E735 VanDerWaalsContact CE2-OE2 3.25Å; Y730-E735 WeakPolarHBondContact CE2-OE2 3.15Å; Y730-E735 PolarHBondContact OH-OE2 3.11Å
731	D	91.3	Very high	77	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.2	172.7	-173.5	-15.4	0	0	0	108.8	W689 P704 L728 R733 W734	W689-D731 PolarHBondContact NE1-OD1 3.05Å; P704-D731 HydrophobicContact CB-CB 4.48Å; P704-D731 HydrophobicContact CG-CB 4.47Å; L728-D731 HydrophobicContact CD2-CB 3.97Å; D731-R733 PolarHBondContact O-N 3.19Å; D731-R733 WeakPolarHBondContact OD1-CB 3.43Å; D731-R733 WeakPolarHBondContact OD1-CG 3.21Å; D731-R733 PolarHBondContact OD1-N 2.92Å; D731-R733 VanDerWaalsContact OD1-N 3.11Å; D731-R733 IonicContact OD1-NE 2.79Å; D731-R733 PolarHBondContact OD1-NE 3.12Å; D731-R733 IonicContact OD2-CZ 3Å; D731-R733 VanDerWaalsContact OD2-CZ 3.25Å; D731-R733 IonicContact OD2-NE 2.69Å; D731-R733 PolarHBondContact OD2-NE 3.21Å; D731-R733 IonicContact OD2-NH2 3.71Å; D731-R733 PolarHBondContact OD2-NH2 2.97Å; D731-W734 PolarHBondContact O-N 3.12Å
732	S	91.8	Very high	79.9	Confident	12 Å²	12	66.4 Å²	66.4	8%	0.084	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-57.6	-19.4	-179.1	48.5	0	0	0	0	114.9	I690 W734 E735	I690-S732 PolarHBondContact N-OG 3.1Å; I690-S732 WeakPolarHBondContact O-CB 3.44Å; I690-S732 PolarHBondContact O-N 3.08Å; I690-S732 PolarHBondContact O-OG 2.9Å; S732-W734 PolarHBondContact O-N 3.28Å; S732-E735 WeakPolarHBondContact O-CB 3.24Å; S732-E735 PolarHBondContact O-N 3.06Å
733	R	87.8	Confident	82.9	Confident	106 Å²	106	65 Å²	65	40%	0.4	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23.8	173.6	-66.3	-177.1	-61.8	162	1.1	113.2	I578 D731	I578-R733 HydrophobicContact CD1-CG 3.57Å; D731-R733 PolarHBondContact O-N 3.19Å; D731-R733 WeakPolarHBondContact OD1-CB 3.43Å; D731-R733 WeakPolarHBondContact OD1-CG 3.21Å; D731-R733 PolarHBondContact OD1-N 2.92Å; D731-R733 VanDerWaalsContact OD1-N 3.11Å; D731-R733 IonicContact OD1-NE 2.79Å; D731-R733 PolarHBondContact OD1-NE 3.12Å; D731-R733 IonicContact OD2-CZ 3Å; D731-R733 VanDerWaalsContact OD2-CZ 3.25Å; D731-R733 IonicContact OD2-NE 2.69Å; D731-R733 PolarHBondContact OD2-NE 3.21Å; D731-R733 IonicContact OD2-NH2 3.71Å; D731-R733 PolarHBondContact OD2-NH2 2.97Å
734	W	84.6	Confident	85.6	Confident	104 Å²	104	62.1 Å²	62.1	39%	0.394	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-114.4	23.5	-178.1	-49.2	107.3	0	0	0	111.7	G706 D731 S732 T736	G706-W734 VanDerWaalsContact CA-CE2 3.4Å; D731-W734 PolarHBondContact O-N 3.12Å; S732-W734 PolarHBondContact O-N 3.28Å; W734-T736 PolarHBondContact O-N 2.98Å
735	E	88.1	Confident	87.9	Confident	25 Å²	25	57.5 Å²	57.5	12%	0.117	29%	0.292	C	S	.	.			trans	-61.5	128.8	176.1	-177.8	51.7	-95.1	0	0	110.1	K530 Y730 S732 D737 L740 A741	K530-E735 IonicContact NZ-OE1 3.75Å; K530-E735 PolarHBondContact NZ-OE1 2.99Å; K530-E735 IonicContact NZ-OE2 3.98Å; Y730-E735 VanDerWaalsContact CE2-OE2 3.25Å; Y730-E735 WeakPolarHBondContact CE2-OE2 3.15Å; Y730-E735 PolarHBondContact OH-OE2 3.11Å; S732-E735 WeakPolarHBondContact O-CB 3.24Å; S732-E735 PolarHBondContact O-N 3.06Å; E735-D737 HydrophobicContact CG-CB 4.26Å; E735-D737 WeakPolarHBondContact OE1-CB 3.44Å; E735-D737 PolarHBondContact OE1-N 2.83Å; E735-L740 HydrophobicContact CG-CB 4.18Å; E735-L740 HydrophobicContact CG-CD2 4.2Å; E735-L740 HydrophobicContact CG-CG 4.19Å; E735-L740 WeakPolarHBondContact OE2-CD2 3.42Å; E735-A741 HydrophobicContact CB-CB 4.43Å; E735-A741 HydrophobicContact CG-CB 4.32Å
736	T	85.3	Confident	89.8	Confident	107 Å²	107	52.6 Å²	52.6	66%	0.656	26%	0.262	S	S	*	.			trans	-95.7	-21.8	-178.5	53.6	0	0	0	0	112.1	W734 T738	W734-T736 PolarHBondContact O-N 2.98Å; T736-T738 PolarHBondContact O-N 3.3Å
737	D	88.6	Confident	90.9	Very high	66 Å²	66	51.5 Å²	51.5	35%	0.353	25%	0.252	S	S	.	.			trans	-72.4	110.3	171	-173.6	-26	0	0	0	109.8	E735 E739 L740 A741	E735-D737 HydrophobicContact CG-CB 4.26Å; E735-D737 WeakPolarHBondContact OE1-CB 3.44Å; E735-D737 PolarHBondContact OE1-N 2.83Å; D737-E739 PolarHBondContact O-N 3.32Å; D737-E739 PolarHBondContact OD1-N 2.71Å; D737-L740 HydrophobicContact CB-CB 4.13Å; D737-L740 PolarHBondContact O-N 3.24Å; D737-L740 PolarHBondContact OD1-N 2.84Å; D737-A741 VanDerWaalsContact O-CB 3.25Å; D737-A741 WeakPolarHBondContact O-CB 3.36Å; D737-A741 PolarHBondContact O-N 3.5Å
738	T	90.1	Very high	90.9	Very high	91 Å²	91	50.2 Å²	50.2	56%	0.558	25%	0.247	S	C	*	.	H	α-helix	trans	-63.6	-27.8	-177.7	54.3	0	0	0	0	113.5	T736 K742	T736-T738 PolarHBondContact O-N 3.3Å; T738-K742 WeakPolarHBondContact O-CD 3.36Å; T738-K742 WeakPolarHBondContact O-CG 3.25Å; T738-K742 PolarHBondContact O-N 3.38Å
739	E	91.5	Very high	90.8	Very high	103 Å²	103	50.3 Å²	50.3	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-78.3	-45.1	180	-66.2	-56	119.1	0	0	110.8	D737 K742 Q743	D737-E739 PolarHBondContact O-N 3.32Å; D737-E739 PolarHBondContact OD1-N 2.71Å; E739-K742 PolarHBondContact O-N 2.68Å; E739-K742 IonicContact OE1-NZ 3.68Å; E739-K742 PolarHBondContact OE1-NZ 3.48Å; E739-Q743 WeakPolarHBondContact O-CG 3.5Å; E739-Q743 PolarHBondContact O-N 3.42Å; E739-Q743 VanDerWaalsContact O-N 3.1Å
740	L	92.4	Very high	90.6	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-42.1	173.6	-177.9	56.1	0	0	0	111.4	K530 P531 E735 D737 K742 Q743 L744	K530-L740 HydrophobicContact CB-CD2 4.16Å; K530-L740 HydrophobicContact CD-CD2 4.21Å; P531-L740 WeakPolarHBondContact O-CD1 3.08Å; P531-L740 WeakPolarHBondContact O-CD2 3.3Å; E735-L740 HydrophobicContact CG-CB 4.18Å; E735-L740 HydrophobicContact CG-CD2 4.2Å; E735-L740 HydrophobicContact CG-CG 4.19Å; E735-L740 WeakPolarHBondContact OE2-CD2 3.42Å; D737-L740 HydrophobicContact CB-CB 4.13Å; D737-L740 PolarHBondContact O-N 3.24Å; D737-L740 PolarHBondContact OD1-N 2.84Å; L740-K742 VanDerWaalsContact C-N 3.31Å; L740-K742 PolarHBondContact O-N 3.23Å; L740-Q743 PolarHBondContact O-N 3.46Å; L740-Q743 VanDerWaalsContact O-N 3.15Å; L740-L744 HydrophobicContact CD1-CG 4.49Å; L740-L744 HydrophobicContact CG-CD1 4.23Å; L740-L744 WeakPolarHBondContact O-CD1 3.44Å; L740-L744 VanDerWaalsContact O-CG 3.28Å; L740-L744 WeakPolarHBondContact O-CG 3.4Å; L740-L744 PolarHBondContact O-N 2.98Å
741	A	91.3	Very high	90.1	Very high	35 Å²	35	51.8 Å²	51.8	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-40.6	176.1	0	0	0	0	0	112.6	E735 D737 L744	E735-A741 HydrophobicContact CB-CB 4.43Å; E735-A741 HydrophobicContact CG-CB 4.32Å; D737-A741 VanDerWaalsContact O-CB 3.25Å; D737-A741 WeakPolarHBondContact O-CB 3.36Å; D737-A741 PolarHBondContact O-N 3.5Å; A741-L744 PolarHBondContact O-N 3.23Å
742	K	92.1	Very high	89.4	Confident	121 Å²	121	56.4 Å²	56.4	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-41.2	175.1	-74.8	167.1	-166.9	167.7	0	112.2	S538 T738 E739 L740 L744 T745	S538-K742 WeakPolarHBondContact CB-O 3.32Å; T738-K742 WeakPolarHBondContact O-CD 3.36Å; T738-K742 WeakPolarHBondContact O-CG 3.25Å; T738-K742 PolarHBondContact O-N 3.38Å; E739-K742 PolarHBondContact O-N 2.68Å; E739-K742 IonicContact OE1-NZ 3.68Å; E739-K742 PolarHBondContact OE1-NZ 3.48Å; L740-K742 VanDerWaalsContact C-N 3.31Å; L740-K742 PolarHBondContact O-N 3.23Å; K742-L744 PolarHBondContact O-N 3.02Å; K742-T745 PolarHBondContact O-N 2.86Å
743	Q	94.4	Very high	88.4	Confident	78 Å²	78	60.3 Å²	60.3	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-26.1	179.7	-72.1	175.5	7.8	0	0	112.6	L533 S536 P537 E739 L740 T745	L533-Q743 HydrophobicContact CD1-CB 4.1Å; S536-Q743 WeakPolarHBondContact OG-CA 3.34Å; S536-Q743 PolarHBondContact OG-O 3.1Å; P537-Q743 VanDerWaalsContact CD-O 3.26Å; P537-Q743 WeakPolarHBondContact CD-O 3.19Å; E739-Q743 WeakPolarHBondContact O-CG 3.5Å; E739-Q743 PolarHBondContact O-N 3.42Å; E739-Q743 VanDerWaalsContact O-N 3.1Å; L740-Q743 PolarHBondContact O-N 3.46Å; L740-Q743 VanDerWaalsContact O-N 3.15Å; Q743-T745 VanDerWaalsContact C-N 3.3Å; Q743-T745 PolarHBondContact O-N 2.81Å
744	L	94.4	Very high	87.1	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12	-178.8	-68.8	163.4	0	0	0	113.7	L533 S687 C688 I690 L740 A741 K742	L533-L744 HydrophobicContact CD1-CD2 3.95Å; L533-L744 HydrophobicContact CD1-CG 4.47Å; L533-L744 HydrophobicContact CD2-CD2 4.38Å; S687-L744 CarbonylContact C-O 3.59Å; S687-L744 WeakPolarHBondContact CA-O 3.45Å; C688-L744 HydrophobicContact CB-CD2 4.26Å; C688-L744 PolarHBondContact N-O 2.77Å; I690-L744 HydrophobicContact CD1-CD2 3.61Å; L740-L744 HydrophobicContact CD1-CG 4.49Å; L740-L744 HydrophobicContact CG-CD1 4.23Å; L740-L744 WeakPolarHBondContact O-CD1 3.44Å; L740-L744 VanDerWaalsContact O-CG 3.28Å; L740-L744 WeakPolarHBondContact O-CG 3.4Å; L740-L744 PolarHBondContact O-N 2.98Å; A741-L744 PolarHBondContact O-N 3.23Å; K742-L744 PolarHBondContact O-N 3.02Å
745	T	93.6	Very high	85.6	Confident	20 Å²	20	63.8 Å²	63.8	12%	0.123	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.9	-172.4	-58.2	0	0	0	0	112.1	I685 L686 S687 K742 Q743 F747	I685-T745 HydrophobicContact CG2-CG2 3.57Å; L686-T745 WeakPolarHBondContact O-CA 3.46Å; S687-T745 WeakPolarHBondContact OG-CG2 3.37Å; S687-T745 PolarHBondContact OG-OG1 2.71Å; K742-T745 PolarHBondContact O-N 2.86Å; Q743-T745 VanDerWaalsContact C-N 3.3Å; Q743-T745 PolarHBondContact O-N 2.81Å; T745-F747 HydrophobicContact CG2-CD2 4.11Å; T745-F747 HydrophobicContact CG2-CE1 4.02Å; T745-F747 HydrophobicContact CG2-CE2 3.55Å; T745-F747 HydrophobicContact CG2-CZ 3.5Å
746	A	93.6	Very high	83.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135	167	0	0	0	0	0	110.5	P537 N541 V553 L686	P537-A746 HydrophobicContact CB-CB 3.97Å; P537-A746 VanDerWaalsContact O-CB 3.24Å; P537-A746 WeakPolarHBondContact O-CB 3.02Å; N541-A746 VanDerWaalsContact OD1-CA 3.29Å; N541-A746 WeakPolarHBondContact OD1-CA 2.94Å; V553-A746 HydrophobicContact CG1-CB 3.75Å; L686-A746 HydrophobicContact CB-CB 4.37Å; L686-A746 PolarHBondContact N-O 3.39Å; L686-A746 PolarHBondContact O-N 3.04Å
747	F	92.4	Very high	81.8	Confident	90 Å²	90	66.2 Å²	66.2	40%	0.395	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.6	173.6	-62.2	-85.7	0	0	0	109.5	N541 C542 L684 I685 T745	N541-F747 WeakPolarHBondContact CA-O 3.36Å; N541-F747 PolarHBondContact OD1-N 3.34Å; C542-F747 PolarHBondContact N-O 2.77Å; L684-F747 WeakPolarHBondContact O-CA 3.35Å; I685-F747 HydrophobicContact CD1-CE1 4.16Å; I685-F747 HydrophobicContact CG1-CD1 3.98Å; I685-F747 HydrophobicContact CG1-CE1 3.96Å; I685-F747 HydrophobicContact CG2-CE1 4.16Å; T745-F747 HydrophobicContact CG2-CD2 4.11Å; T745-F747 HydrophobicContact CG2-CE1 4.02Å; T745-F747 HydrophobicContact CG2-CE2 3.55Å; T745-F747 HydrophobicContact CG2-CZ 3.5Å
748	R	90.4	Very high	79.7	Confident	30 Å²	30	67.8 Å²	67.8	11%	0.113	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107.1	176.8	-70.6	-99.5	162.5	175	13.2	108.9	E540 C542 C546 Y551 D683 L684 F750	E540-R748 PolarHBondContact O-NE 2.83Å; E540-R748 PolarHBondContact O-NH2 2.97Å; E540-R748 IonicContact OE2-NH2 3.21Å; E540-R748 PolarHBondContact OE2-NH2 2.81Å; E540-R748 VanDerWaalsContact OE2-NH2 3.17Å; C542-R748 WeakPolarHBondContact O-CA 3.46Å; C546-R748 HydrophobicContact CB-CB 4.21Å; Y551-R748 HydrophobicContact CE2-CG 3.94Å; D683-R748 CarbonylContact C-O 3.55Å; D683-R748 WeakPolarHBondContact CA-O 3.46Å; L684-R748 HydrophobicContact CB-CB 4.2Å; L684-R748 PolarHBondContact N-O 2.84Å; L684-R748 PolarHBondContact O-N 3.45Å; R748-F750 PolarHBondContact O-N 2.58Å
749	T	88.8	Confident	77.7	Confident	26 Å²	26	66.5 Å²	66.5	16%	0.16	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.4	-178.4	-57.7	0	0	0	0	110.7	C542 I543 C546 D683	C542-T749 PolarHBondContact O-N 2.98Å; I543-T749 WeakPolarHBondContact O-CB 3.43Å; C546-T749 WeakPolarHBondContact CB-O 3.41Å; C546-T749 PolarHBondContact SG-O 3.21Å; D683-T749 VanDerWaalsContact OD1-CA 3.22Å; D683-T749 WeakPolarHBondContact OD1-CA 3.47Å; D683-T749 VanDerWaalsContact OD1-CB 3.23Å; D683-T749 WeakPolarHBondContact OD1-CB 3.49Å; D683-T749 WeakPolarHBondContact OD1-CG2 3.36Å; D683-T749 PolarHBondContact OD1-OG1 2.71Å
750	F	86.6	Confident	75.6	Confident	12 Å²	12	64 Å²	64	5%	0.053	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-67.7	145.2	173.2	-69.8	-70.9	0	0	0	110	D547 L665 K666 L669 P681 K682 L684 R748	D547-F750 HydrophobicContact CB-CD1 3.73Å; D547-F750 HydrophobicContact CB-CE1 4.3Å; L665-F750 HydrophobicContact CG-CE1 4.49Å; L665-F750 HydrophobicContact CG-CZ 4.46Å; K666-F750 HydrophobicContact CB-CD1 3.67Å; K666-F750 HydrophobicContact CB-CE1 3.86Å; K666-F750 HydrophobicContact CB-CG 4.2Å; K666-F750 HydrophobicContact CB-CZ 4.49Å; K666-F750 HydrophobicContact CD-CB 3.88Å; K666-F750 HydrophobicContact CD-CD1 4.25Å; K666-F750 HydrophobicContact CD-CG 4.16Å; K666-F750 HydrophobicContact CG-CB 4.12Å; K666-F750 HydrophobicContact CG-CD1 3.85Å; K666-F750 HydrophobicContact CG-CD2 4.34Å; K666-F750 HydrophobicContact CG-CE1 4.36Å; K666-F750 HydrophobicContact CG-CG 3.85Å; L669-F750 HydrophobicContact CD1-CE2 4.17Å; L669-F750 HydrophobicContact CD1-CZ 3.77Å; P681-F750 HydrophobicContact CG-CE2 4.14Å; P681-F750 WeakPolarHBondContact O-CD2 3.26Å; K682-F750 PolarHBondContact O-N 3.27Å; L684-F750 HydrophobicContact CB-CE2 3.86Å; L684-F750 HydrophobicContact CB-CZ 3.7Å; L684-F750 HydrophobicContact CD1-CZ 4.29Å; L684-F750 HydrophobicContact CG-CZ 4.5Å; R748-F750 PolarHBondContact O-N 2.58Å
751	T	82.7	Confident	73.8	Confident	41 Å²	41	70.2 Å²	70.2	25%	0.252	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-56	126.6	172.6	-59.5	0	0	0	0	108	D547 K666 D753	D547-T751 VanDerWaalsContact OD1-CB 3.31Å; D547-T751 WeakPolarHBondContact OD1-CB 3.38Å; D547-T751 PolarHBondContact OD1-N 2.78Å; D547-T751 PolarHBondContact OD1-OG1 2.83Å; D547-T751 PolarHBondContact OD2-N 3.43Å; K666-T751 PolarHBondContact NZ-O 2.82Å; T751-D753 PolarHBondContact O-N 2.88Å
752	P	77	Confident	72.3	Confident	101 Å²	101	71.9 Å²	71.9	66%	0.656	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-55.1	137	178.5	22.3	-32.1	0	0	0	108.3	I754	P752-I754 PolarHBondContact O-N 2.54Å; P752-I754 VanDerWaalsContact O-N 3.17Å
753	D	71.3	Confident	71.1	Confident	94 Å²	94	72.4 Å²	72.4	50%	0.503	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-55.5	134	170.4	-66.6	-46.8	0	0	0	106.2	K666 P680 T751 I755	K666-D753 IonicContact NZ-OD1 3.52Å; K666-D753 PolarHBondContact NZ-OD1 3.15Å; K666-D753 IonicContact NZ-OD2 3.44Å; K666-D753 PolarHBondContact NZ-OD2 2.82Å; P680-D753 WeakPolarHBondContact CG-OD2 3.35Å; T751-D753 PolarHBondContact O-N 2.88Å; D753-I755 PolarHBondContact O-N 2.93Å
754	I	60.2	Low	70	Confident	156 Å²	156	71.3 Å²	71.3	80%	0.8	42%	0.415	S	S	*	.			trans	-59.2	95.9	163.6	-56.7	169.5	0	0	0	102.7	P752 P756	P752-I754 PolarHBondContact O-N 2.54Å; P752-I754 VanDerWaalsContact O-N 3.17Å; I754-P756 WeakPolarHBondContact O-CD 3.42Å
755	I	52.3	Low	69	Low	127 Å²	127	72.7 Å²	72.7	65%	0.651	43%	0.427	S	S	*	.			trans	-54.5	108.5	158.1	-59.9	173.6	0	0	0	100	D753 A757 T758	D753-I755 PolarHBondContact O-N 2.93Å; I755-A757 VanDerWaalsContact C-N 3.34Å; I755-A757 PolarHBondContact O-N 3.41Å; I755-T758 HydrophobicContact CG2-CG2 4.3Å
756	P	50	Low	68.3	Low	101 Å²	101	74.5 Å²	74.5	66%	0.656	44%	0.444	S	S	*	.			trans	-52.3	116.2	176.8	22	-30.2	0	0	0	102.2	I754 T758	I754-P756 WeakPolarHBondContact O-CD 3.42Å; P756-T758 VanDerWaalsContact C-N 3.27Å; P756-T758 VanDerWaalsContact O-CA 3.26Å; P756-T758 WeakPolarHBondContact O-CA 3.42Å; P756-T758 PolarHBondContact O-N 2.91Å
757	A	44.2	Very low	67.8	Low	82 Å²	82	78 Å²	78	68%	0.678	47%	0.465	S	S	*	.			trans	-42.5	106	-171.5	0	0	0	0	0	104.7	I755 A759	I755-A757 VanDerWaalsContact C-N 3.34Å; I755-A757 PolarHBondContact O-N 3.41Å; A757-A759 WeakPolarHBondContact O-CA 3.45Å; A757-A759 PolarHBondContact O-N 2.88Å
758	T	45.3	Very low	67.4	Low	100 Å²	100	78.1 Å²	78.1	61%	0.613	47%	0.469	S	S	*	.			trans	-65.9	98.8	-167.6	27.7	0	0	0	0	101.9	I755 P756 S760 L761	I755-T758 HydrophobicContact CG2-CG2 4.3Å; P756-T758 VanDerWaalsContact C-N 3.27Å; P756-T758 VanDerWaalsContact O-CA 3.26Å; P756-T758 WeakPolarHBondContact O-CA 3.42Å; P756-T758 PolarHBondContact O-N 2.91Å; T758-S760 VanDerWaalsContact C-N 3.27Å; T758-S760 CarbonylContact O-C 3.6Å; T758-S760 WeakPolarHBondContact O-CA 3.24Å; T758-S760 PolarHBondContact O-N 3.35Å; T758-L761 PolarHBondContact O-N 3.45Å
759	A	46.7	Very low	67.1	Low	63 Å²	63	81.2 Å²	81.2	52%	0.521	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.4	101	-142.1	0	0	0	0	0	107.3	A757 L761 W763	A757-A759 WeakPolarHBondContact O-CA 3.45Å; A757-A759 PolarHBondContact O-N 2.88Å; A759-L761 PolarHBondContact O-N 3.02Å; A759-W763 VanDerWaalsContact CB-NE1 3.26Å; A759-W763 PolarHBondContact O-NE1 2.96Å
760	S	48.8	Very low	67	Low	52 Å²	52	81.7 Å²	81.7	36%	0.364	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-24	116.9	-148	64.6	0	0	0	0	112.3	T758 A762 W763 V764	T758-S760 VanDerWaalsContact C-N 3.27Å; T758-S760 CarbonylContact O-C 3.6Å; T758-S760 WeakPolarHBondContact O-CA 3.24Å; T758-S760 PolarHBondContact O-N 3.35Å; S760-A762 CarbonylContact O-C 3.59Å; S760-A762 PolarHBondContact O-N 2.81Å; S760-W763 VanDerWaalsContact N-CD1 3.28Å; S760-W763 WeakPolarHBondContact O-CA 3.27Å; S760-W763 PolarHBondContact O-N 2.74Å; S760-W763 VanDerWaalsContact OG-CB 3.22Å; S760-W763 WeakPolarHBondContact OG-CB 3.28Å; S760-W763 PolarHBondContact OG-N 3.45Å; S760-V764 PolarHBondContact O-N 3.41Å
761	L	52.7	Low	67	Low	140 Å²	140	84.6 Å²	84.6	73%	0.733	52%	0.515	S	S	*	.	H	α-helix	trans	-51.3	-19.2	168.3	-144.5	124.1	0	0	0	110.5	T758 A759 A765	T758-L761 PolarHBondContact O-N 3.45Å; A759-L761 PolarHBondContact O-N 3.02Å; L761-A765 WeakPolarHBondContact O-CA 2.97Å; L761-A765 WeakPolarHBondContact O-CB 3.15Å; L761-A765 PolarHBondContact O-N 3.04Å
762	A	61.2	Low	67.2	Low	71 Å²	71	87.1 Å²	87.1	59%	0.587	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-40.2	165.9	0	0	0	0	0	116.1	S760 A766	S760-A762 CarbonylContact O-C 3.59Å; S760-A762 PolarHBondContact O-N 2.81Å; A762-A766 WeakPolarHBondContact O-CA 3.42Å; A762-A766 WeakPolarHBondContact O-CB 3.42Å; A762-A766 PolarHBondContact O-N 3.31Å
763	W	67	Low	67.6	Low	131 Å²	131	87.1 Å²	87.1	50%	0.496	52%	0.52	S	S	.	.	H	α-helix	trans	-76	-39.4	172.3	89.7	-97.4	0	0	0	110.7	A759 S760 A765 A766 V767	A759-W763 VanDerWaalsContact CB-NE1 3.26Å; A759-W763 PolarHBondContact O-NE1 2.96Å; S760-W763 VanDerWaalsContact N-CD1 3.28Å; S760-W763 WeakPolarHBondContact O-CA 3.27Å; S760-W763 PolarHBondContact O-N 2.74Å; S760-W763 VanDerWaalsContact OG-CB 3.22Å; S760-W763 WeakPolarHBondContact OG-CB 3.28Å; S760-W763 PolarHBondContact OG-N 3.45Å; W763-A765 VanDerWaalsContact C-N 3.32Å; W763-A766 CarbonylContact O-C 3.51Å; W763-A766 PolarHBondContact O-N 3.32Å; W763-V767 HydrophobicContact CE3-CB 4.22Å; W763-V767 HydrophobicContact CE3-CG2 3.49Å; W763-V767 VanDerWaalsContact CE3-CG2 3.49Å; W763-V767 HydrophobicContact CZ3-CB 4.3Å; W763-V767 HydrophobicContact CZ3-CG2 3.75Å; W763-V767 VanDerWaalsContact O-CB 3.32Å; W763-V767 WeakPolarHBondContact O-CB 3.49Å; W763-V767 VanDerWaalsContact O-CG2 3.29Å; W763-V767 WeakPolarHBondContact O-CG2 3.19Å; W763-V767 PolarHBondContact O-N 2.77Å
764	V	71.3	Confident	68.3	Low	55 Å²	55	88.9 Å²	88.9	33%	0.333	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-44.1	173.5	179.2	0	0	0	0	109	S760 V767 I768	S760-V764 PolarHBondContact O-N 3.41Å; V764-V767 PolarHBondContact O-N 3.39Å; V764-I768 HydrophobicContact CG1-CD1 3.7Å; V764-I768 HydrophobicContact CG1-CG1 4.34Å; V764-I768 VanDerWaalsContact O-CB 3.3Å; V764-I768 WeakPolarHBondContact O-CB 3.47Å; V764-I768 WeakPolarHBondContact O-CD1 2.89Å; V764-I768 WeakPolarHBondContact O-CG1 3.46Å; V764-I768 PolarHBondContact O-N 3.3Å
765	A	72.6	Confident	69.6	Low	34 Å²	34	86.1 Å²	86.1	28%	0.281	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-39.3	172.3	0	0	0	0	0	112	L761 W763 V767 I768 I769	L761-A765 WeakPolarHBondContact O-CA 2.97Å; L761-A765 WeakPolarHBondContact O-CB 3.15Å; L761-A765 PolarHBondContact O-N 3.04Å; W763-A765 VanDerWaalsContact C-N 3.32Å; A765-V767 VanDerWaalsContact C-N 3.34Å; A765-V767 PolarHBondContact O-N 2.98Å; A765-I768 PolarHBondContact O-N 3.03Å; A765-I769 WeakPolarHBondContact O-CB 3.36Å; A765-I769 WeakPolarHBondContact O-CD1 3.49Å; A765-I769 WeakPolarHBondContact O-CG1 3.46Å; A765-I769 PolarHBondContact O-N 2.01Å
766	A	79	Confident	71.1	Confident	58 Å²	58	83.9 Å²	83.9	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-68.1	-33.8	176.7	0	0	0	0	0	112.2	A762 W763 G770	A762-A766 WeakPolarHBondContact O-CA 3.42Å; A762-A766 WeakPolarHBondContact O-CB 3.42Å; A762-A766 PolarHBondContact O-N 3.31Å; W763-A766 CarbonylContact O-C 3.51Å; W763-A766 PolarHBondContact O-N 3.32Å; A766-G770 WeakPolarHBondContact O-CA 3.31Å; A766-G770 PolarHBondContact O-N 2.85Å
767	V	82.7	Confident	72.8	Confident	74 Å²	74	83 Å²	83	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-74.2	-39.6	173	169.4	0	0	0	0	110.2	W763 V764 A765 G770 V771	W763-V767 HydrophobicContact CE3-CB 4.22Å; W763-V767 HydrophobicContact CE3-CG2 3.49Å; W763-V767 VanDerWaalsContact CE3-CG2 3.49Å; W763-V767 HydrophobicContact CZ3-CB 4.3Å; W763-V767 HydrophobicContact CZ3-CG2 3.75Å; W763-V767 VanDerWaalsContact O-CB 3.32Å; W763-V767 WeakPolarHBondContact O-CB 3.49Å; W763-V767 VanDerWaalsContact O-CG2 3.29Å; W763-V767 WeakPolarHBondContact O-CG2 3.19Å; W763-V767 PolarHBondContact O-N 2.77Å; V764-V767 PolarHBondContact O-N 3.39Å; A765-V767 VanDerWaalsContact C-N 3.34Å; A765-V767 PolarHBondContact O-N 2.98Å; V767-G770 CarbonylContact O-C 3.57Å; V767-G770 PolarHBondContact O-N 3.02Å; V767-V771 HydrophobicContact CG1-CG2 4.16Å; V767-V771 VanDerWaalsContact O-CB 3.24Å; V767-V771 WeakPolarHBondContact O-CB 3.41Å; V767-V771 WeakPolarHBondContact O-CG2 3.35Å; V767-V771 PolarHBondContact O-N 2.86Å
768	I	84.5	Confident	74.7	Confident	92 Å²	92	82.3 Å²	82.3	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-46.8	173	-71.3	166.1	0	0	0	109.8	V764 A765 G770 V771 I772	V764-I768 HydrophobicContact CG1-CD1 3.7Å; V764-I768 HydrophobicContact CG1-CG1 4.34Å; V764-I768 VanDerWaalsContact O-CB 3.3Å; V764-I768 WeakPolarHBondContact O-CB 3.47Å; V764-I768 WeakPolarHBondContact O-CD1 2.89Å; V764-I768 WeakPolarHBondContact O-CG1 3.46Å; V764-I768 PolarHBondContact O-N 3.3Å; A765-I768 PolarHBondContact O-N 3.03Å; I768-G770 VanDerWaalsContact C-N 3.34Å; I768-G770 PolarHBondContact O-N 3.46Å; I768-V771 PolarHBondContact O-N 3.05Å; I768-I772 HydrophobicContact CG2-CD1 3.74Å; I768-I772 HydrophobicContact CG2-CG1 4.44Å; I768-I772 WeakPolarHBondContact O-CB 3.33Å; I768-I772 WeakPolarHBondContact O-CD1 3.46Å; I768-I772 WeakPolarHBondContact O-CG1 3.49Å; I768-I772 PolarHBondContact O-N 3.09Å
769	I	83.6	Confident	76.4	Confident	96 Å²	96	80 Å²	80	49%	0.492	47%	0.469	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.2	-69.3	163.3	0	0	0	110	A765 I772 I773	A765-I769 WeakPolarHBondContact O-CB 3.36Å; A765-I769 WeakPolarHBondContact O-CD1 3.49Å; A765-I769 WeakPolarHBondContact O-CG1 3.46Å; A765-I769 PolarHBondContact O-N 2.01Å; I769-I772 PolarHBondContact O-N 2.91Å; I769-I773 HydrophobicContact CG2-CD1 3.83Å; I769-I773 HydrophobicContact CG2-CG1 4.47Å; I769-I773 WeakPolarHBondContact O-CB 3.33Å; I769-I773 VanDerWaalsContact O-CG1 3.22Å; I769-I773 WeakPolarHBondContact O-CG1 3.44Å; I769-I773 PolarHBondContact O-N 3.48Å
770	G	86.7	Confident	77.9	Confident	35 Å²	35	79.4 Å²	79.4	36%	0.361	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-40.4	176.5	0	0	0	0	0	113.1	A766 V767 I768 I773 F774	A766-G770 WeakPolarHBondContact O-CA 3.31Å; A766-G770 PolarHBondContact O-N 2.85Å; V767-G770 CarbonylContact O-C 3.57Å; V767-G770 PolarHBondContact O-N 3.02Å; I768-G770 VanDerWaalsContact C-N 3.34Å; I768-G770 PolarHBondContact O-N 3.46Å; G770-I773 PolarHBondContact O-N 2.87Å; G770-F774 VanDerWaalsContact O-CB 3.28Å; G770-F774 WeakPolarHBondContact O-CB 3.31Å; G770-F774 PolarHBondContact O-N 3.31Å
771	V	87.6	Confident	79.1	Confident	73 Å²	73	79.4 Å²	79.4	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-40.3	174.3	168.4	0	0	0	0	110.2	V767 I768 F774 I775	V767-V771 HydrophobicContact CG1-CG2 4.16Å; V767-V771 VanDerWaalsContact O-CB 3.24Å; V767-V771 WeakPolarHBondContact O-CB 3.41Å; V767-V771 WeakPolarHBondContact O-CG2 3.35Å; V767-V771 PolarHBondContact O-N 2.86Å; I768-V771 PolarHBondContact O-N 3.05Å; V771-F774 PolarHBondContact O-N 2.69Å; V771-I775 HydrophobicContact CG1-CD1 3.75Å; V771-I775 HydrophobicContact CG1-CG1 4.31Å; V771-I775 WeakPolarHBondContact O-CB 3.37Å; V771-I775 WeakPolarHBondContact O-CG1 3.44Å; V771-I775 PolarHBondContact O-N 3.41Å
772	I	86.9	Confident	80.2	Confident	94 Å²	94	77.3 Å²	77.3	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-46.1	173.8	-71	165.5	0	0	0	110	I768 I769 F774 I775 V776	I768-I772 HydrophobicContact CG2-CD1 3.74Å; I768-I772 HydrophobicContact CG2-CG1 4.44Å; I768-I772 WeakPolarHBondContact O-CB 3.33Å; I768-I772 WeakPolarHBondContact O-CD1 3.46Å; I768-I772 WeakPolarHBondContact O-CG1 3.49Å; I768-I772 PolarHBondContact O-N 3.09Å; I769-I772 PolarHBondContact O-N 2.91Å; I772-F774 VanDerWaalsContact C-N 3.32Å; I772-F774 PolarHBondContact O-N 2.93Å; I772-I775 PolarHBondContact O-N 3.24Å; I772-V776 HydrophobicContact CG2-CG2 4.44Å; I772-V776 WeakPolarHBondContact O-CB 3.3Å; I772-V776 VanDerWaalsContact O-CG2 3.23Å; I772-V776 WeakPolarHBondContact O-CG2 3.33Å; I772-V776 PolarHBondContact O-N 3.35Å
773	I	85.7	Confident	80.7	Confident	101 Å²	101	81 Å²	81	52%	0.518	45%	0.448	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.5	-69	165.7	0	0	0	110.3	I769 G770 V776 V777	I769-I773 HydrophobicContact CG2-CD1 3.83Å; I769-I773 HydrophobicContact CG2-CG1 4.47Å; I769-I773 WeakPolarHBondContact O-CB 3.33Å; I769-I773 VanDerWaalsContact O-CG1 3.22Å; I769-I773 WeakPolarHBondContact O-CG1 3.44Å; I769-I773 PolarHBondContact O-N 3.48Å; G770-I773 PolarHBondContact O-N 2.87Å; I773-V776 CarbonylContact O-C 3.57Å; I773-V776 PolarHBondContact O-N 2.87Å; I773-V777 HydrophobicContact CG2-CG2 4.4Å; I773-V777 VanDerWaalsContact O-CG2 3.29Å; I773-V777 WeakPolarHBondContact O-CG2 3.39Å; I773-V777 PolarHBondContact O-N 2.8Å
774	F	86.3	Confident	80.7	Confident	132 Å²	132	79.6 Å²	79.6	58%	0.579	45%	0.45	S	S	*	.	H	α-helix	trans	-65.4	-41.1	178.2	-170.1	-105.8	0	0	0	112.1	G770 V771 I772 V776 V777 I778	G770-F774 VanDerWaalsContact O-CB 3.28Å; G770-F774 WeakPolarHBondContact O-CB 3.31Å; G770-F774 PolarHBondContact O-N 3.31Å; V771-F774 PolarHBondContact O-N 2.69Å; I772-F774 VanDerWaalsContact C-N 3.32Å; I772-F774 PolarHBondContact O-N 2.93Å; F774-V776 VanDerWaalsContact C-N 3.33Å; F774-V777 PolarHBondContact O-N 2.77Å; F774-I778 HydrophobicContact CD1-CD1 3.63Å; F774-I778 HydrophobicContact CD1-CG1 4.34Å; F774-I778 HydrophobicContact CE1-CD1 3.21Å; F774-I778 HydrophobicContact CE1-CG1 4.13Å; F774-I778 HydrophobicContact CZ-CD1 3.79Å; F774-I778 HydrophobicContact CZ-CG1 4.38Å; F774-I778 WeakPolarHBondContact O-CB 3.3Å; F774-I778 WeakPolarHBondContact O-CG1 3.39Å; F774-I778 PolarHBondContact O-N 2.65Å
775	I	86.3	Confident	80.3	Confident	98 Å²	98	81.9 Å²	81.9	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-38.8	172.8	-69.8	168.1	0	0	0	110.3	V771 I772 I778 A779	V771-I775 HydrophobicContact CG1-CD1 3.75Å; V771-I775 HydrophobicContact CG1-CG1 4.31Å; V771-I775 WeakPolarHBondContact O-CB 3.37Å; V771-I775 WeakPolarHBondContact O-CG1 3.44Å; V771-I775 PolarHBondContact O-N 3.41Å; I772-I775 PolarHBondContact O-N 3.24Å; I775-I778 PolarHBondContact O-N 3.26Å; I775-A779 WeakPolarHBondContact O-CB 3.25Å; I775-A779 PolarHBondContact O-N 3.34Å
776	V	84.7	Confident	79.8	Confident	80 Å²	80	83.8 Å²	83.8	49%	0.485	48%	0.475	S	S	.	.	H	α-helix	trans	-67.4	-36.1	175.4	169.5	0	0	0	0	111.1	I772 I773 F774 S780	I772-V776 HydrophobicContact CG2-CG2 4.44Å; I772-V776 WeakPolarHBondContact O-CB 3.3Å; I772-V776 VanDerWaalsContact O-CG2 3.23Å; I772-V776 WeakPolarHBondContact O-CG2 3.33Å; I772-V776 PolarHBondContact O-N 3.35Å; I773-V776 CarbonylContact O-C 3.57Å; I773-V776 PolarHBondContact O-N 2.87Å; F774-V776 VanDerWaalsContact C-N 3.33Å; V776-S780 WeakPolarHBondContact O-CA 3.04Å; V776-S780 WeakPolarHBondContact O-CB 3.47Å; V776-S780 PolarHBondContact O-N 2.85Å; V776-S780 PolarHBondContact O-OG 2.97Å
777	V	86.1	Confident	78.6	Confident	83 Å²	83	88.4 Å²	88.4	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-70.5	-40.8	174.3	171.1	0	0	0	0	110.7	I773 F774 S780 S781	I773-V777 HydrophobicContact CG2-CG2 4.4Å; I773-V777 VanDerWaalsContact O-CG2 3.29Å; I773-V777 WeakPolarHBondContact O-CG2 3.39Å; I773-V777 PolarHBondContact O-N 2.8Å; F774-V777 PolarHBondContact O-N 2.77Å; V777-S780 PolarHBondContact O-N 3.38Å; V777-S781 VanDerWaalsContact O-CB 3.24Å; V777-S781 WeakPolarHBondContact O-CB 3.02Å; V777-S781 PolarHBondContact O-N 3.46Å; V777-S781 PolarHBondContact O-OG 3.15Å
778	I	83.4	Confident	76.9	Confident	67 Å²	67	92.1 Å²	92.1	34%	0.344	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-46.7	172.9	-73.3	178.4	0	0	0	110.3	F774 I775 S780 S781 I782	F774-I778 HydrophobicContact CD1-CD1 3.63Å; F774-I778 HydrophobicContact CD1-CG1 4.34Å; F774-I778 HydrophobicContact CE1-CD1 3.21Å; F774-I778 HydrophobicContact CE1-CG1 4.13Å; F774-I778 HydrophobicContact CZ-CD1 3.79Å; F774-I778 HydrophobicContact CZ-CG1 4.38Å; F774-I778 WeakPolarHBondContact O-CB 3.3Å; F774-I778 WeakPolarHBondContact O-CG1 3.39Å; F774-I778 PolarHBondContact O-N 2.65Å; I775-I778 PolarHBondContact O-N 3.26Å; I778-S780 VanDerWaalsContact C-N 3.31Å; I778-S780 PolarHBondContact O-N 2.9Å; I778-S781 VanDerWaalsContact CA-OG 3.26Å; I778-S781 WeakPolarHBondContact CA-OG 3.42Å; I778-S781 PolarHBondContact O-N 3.37Å; I778-S781 PolarHBondContact O-OG 2.76Å; I778-I782 HydrophobicContact CG2-CD1 3.53Å; I778-I782 HydrophobicContact CG2-CG1 4.16Å; I778-I782 VanDerWaalsContact O-CB 3.27Å; I778-I782 WeakPolarHBondContact O-CB 3.25Å; I778-I782 WeakPolarHBondContact O-CG1 3.4Å; I778-I782 PolarHBondContact O-N 2.82Å
779	A	80.6	Confident	74.7	Confident	52 Å²	52	97.8 Å²	97.8	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-39.4	176.6	0	0	0	0	0	110.6	I775 W783	I775-A779 WeakPolarHBondContact O-CB 3.25Å; I775-A779 PolarHBondContact O-N 3.34Å; A779-W783 WeakPolarHBondContact O-CA 3.08Å; A779-W783 WeakPolarHBondContact O-CB 3.33Å; A779-W783 PolarHBondContact O-N 2.65Å
780	S	77.9	Confident	72.4	Confident	50 Å²	50	96.6 Å²	96.6	35%	0.35	52%	0.524	S	S	.	.	H	α-helix	trans	-71.5	-32.4	176.2	-65.3	0	0	0	0	112.6	V776 V777 I778 W783 L784	V776-S780 WeakPolarHBondContact O-CA 3.04Å; V776-S780 WeakPolarHBondContact O-CB 3.47Å; V776-S780 PolarHBondContact O-N 2.85Å; V776-S780 PolarHBondContact O-OG 2.97Å; V777-S780 PolarHBondContact O-N 3.38Å; I778-S780 VanDerWaalsContact C-N 3.31Å; I778-S780 PolarHBondContact O-N 2.9Å; S780-W783 CarbonylContact O-C 3.52Å; S780-L784 WeakPolarHBondContact O-CB 3.31Å; S780-L784 WeakPolarHBondContact O-CD1 3.31Å; S780-L784 WeakPolarHBondContact O-CG 3.35Å; S780-L784 PolarHBondContact O-N 2.7Å
781	S	75	Confident	69.9	Low	51 Å²	51	103.9 Å²	103.9	36%	0.357	55%	0.549	S	S	.	.	H	α-helix	trans	-80.3	-35.3	176.4	50.8	0	0	0	0	111.8	V777 I778 W783 C785	V777-S781 VanDerWaalsContact O-CB 3.24Å; V777-S781 WeakPolarHBondContact O-CB 3.02Å; V777-S781 PolarHBondContact O-N 3.46Å; V777-S781 PolarHBondContact O-OG 3.15Å; I778-S781 VanDerWaalsContact CA-OG 3.26Å; I778-S781 WeakPolarHBondContact CA-OG 3.42Å; I778-S781 PolarHBondContact O-N 3.37Å; I778-S781 PolarHBondContact O-OG 2.76Å; S781-W783 VanDerWaalsContact C-N 3.33Å; S781-C785 WeakPolarHBondContact O-CB 3.37Å; S781-C785 PolarHBondContact O-N 3.37Å; S781-C785 PolarHBondContact O-SG 2.95Å
782	I	74.2	Confident	67.3	Low	97 Å²	97	106.5 Å²	106.5	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-42.9	165.4	-68.7	170.6	0	0	0	109	I778 C785 T786	I778-I782 HydrophobicContact CG2-CD1 3.53Å; I778-I782 HydrophobicContact CG2-CG1 4.16Å; I778-I782 VanDerWaalsContact O-CB 3.27Å; I778-I782 WeakPolarHBondContact O-CB 3.25Å; I778-I782 WeakPolarHBondContact O-CG1 3.4Å; I778-I782 PolarHBondContact O-N 2.82Å; I782-C785 CarbonylContact O-C 3.59Å; I782-C785 PolarHBondContact O-N 2.84Å; I782-T786 HydrophobicContact CG2-CG2 4.25Å; I782-T786 VanDerWaalsContact O-CB 3.27Å; I782-T786 WeakPolarHBondContact O-CB 3.46Å; I782-T786 VanDerWaalsContact O-CG2 3.23Å; I782-T786 WeakPolarHBondContact O-CG2 3.21Å; I782-T786 PolarHBondContact O-N 2.72Å; I782-T786 PolarHBondContact O-OG1 3.11Å
783	W	72.1	Confident	64.9	Low	148 Å²	148	112.9 Å²	112.9	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-64.9	-44.8	176.4	-175.1	75.8	0	0	0	111	A779 S780 S781 C785 T786 R787	A779-W783 WeakPolarHBondContact O-CA 3.08Å; A779-W783 WeakPolarHBondContact O-CB 3.33Å; A779-W783 PolarHBondContact O-N 2.65Å; S780-W783 CarbonylContact O-C 3.52Å; S781-W783 VanDerWaalsContact C-N 3.33Å; W783-C785 PolarHBondContact O-N 2.86Å; W783-T786 WeakPolarHBondContact CA-OG1 3.3Å; W783-T786 CarbonylContact O-C 3.59Å; W783-T786 PolarHBondContact O-N 3.27Å; W783-T786 PolarHBondContact O-OG1 3.34Å; W783-R787 WeakPolarHBondContact O-CA 3.37Å; W783-R787 WeakPolarHBondContact O-CB 3.37Å; W783-R787 PolarHBondContact O-N 3.1Å
784	L	66.9	Low	62.6	Low	102 Å²	102	115.7 Å²	115.7	53%	0.534	60%	0.598	S	S	.	*	H	α-helix	trans	-62	-43.5	173.4	-81.9	158.8	0	0	0	111.4	S780 T786 R787	S780-L784 WeakPolarHBondContact O-CB 3.31Å; S780-L784 WeakPolarHBondContact O-CD1 3.31Å; S780-L784 WeakPolarHBondContact O-CG 3.35Å; S780-L784 PolarHBondContact O-N 2.7Å; L784-T786 VanDerWaalsContact C-N 3.28Å; L784-T786 PolarHBondContact O-N 2.6Å; L784-R787 PolarHBondContact O-N 2.9Å
785	C	63.5	Low	60.5	Low	103 Å²	103	114.2 Å²	114.2	70%	0.696	60%	0.599	S	S	*	*	H	α-helix	trans	-70.4	-21.9	176.8	-70.1	0	0	0	0	113.3	S781 I782 W783	S781-C785 WeakPolarHBondContact O-CB 3.37Å; S781-C785 PolarHBondContact O-N 3.37Å; S781-C785 PolarHBondContact O-SG 2.95Å; I782-C785 CarbonylContact O-C 3.59Å; I782-C785 PolarHBondContact O-N 2.84Å; W783-C785 PolarHBondContact O-N 2.86Å
786	T	62	Low	58.4	Low	73 Å²	73	118 Å²	118	45%	0.448	61%	0.608	S	S	.	*	H	α-helix	trans	-97.3	-18.9	175.4	52.8	0	0	0	0	112.7	I782 W783 L784 D788 R789	I782-T786 HydrophobicContact CG2-CG2 4.25Å; I782-T786 VanDerWaalsContact O-CB 3.27Å; I782-T786 WeakPolarHBondContact O-CB 3.46Å; I782-T786 VanDerWaalsContact O-CG2 3.23Å; I782-T786 WeakPolarHBondContact O-CG2 3.21Å; I782-T786 PolarHBondContact O-N 2.72Å; I782-T786 PolarHBondContact O-OG1 3.11Å; W783-T786 WeakPolarHBondContact CA-OG1 3.3Å; W783-T786 CarbonylContact O-C 3.59Å; W783-T786 PolarHBondContact O-N 3.27Å; W783-T786 PolarHBondContact O-OG1 3.34Å; L784-T786 VanDerWaalsContact C-N 3.28Å; L784-T786 PolarHBondContact O-N 2.6Å; T786-D788 VanDerWaalsContact C-N 3.31Å; T786-D788 PolarHBondContact O-N 3.22Å; T786-R789 WeakPolarHBondContact O-CB 3.5Å; T786-R789 PolarHBondContact O-N 3.39Å
787	R	54.5	Low	56.8	Low	155 Å²	155	120.3 Å²	120.3	59%	0.585	62%	0.618	S	S	*	*	H	α-helix	trans	-72.7	-21.9	-179.9	175	179.1	142.8	101.9	5.2	113	W783 L784 R789	W783-R787 WeakPolarHBondContact O-CA 3.37Å; W783-R787 WeakPolarHBondContact O-CB 3.37Å; W783-R787 PolarHBondContact O-N 3.1Å; L784-R787 PolarHBondContact O-N 2.9Å; R787-R789 PolarHBondContact O-N 3.32Å
788	D	45.3	Very low	55.2	Low	152 Å²	152	124.1 Å²	124.1	81%	0.813	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	4.8	169	-77.8	-12.9	0	0	0	113.1	T786	T786-D788 VanDerWaalsContact C-N 3.31Å; T786-D788 PolarHBondContact O-N 3.22Å
789	R	40.2	Very low	53.7	Low	212 Å²	212	128.1 Å²	128.1	80%	0.8	65%	0.645	S	S	*	*	S	Bend	trans	-96.3	113.3	159.4	-66.9	-174.3	172.2	173.8	-1.5	108.1	T786 R787	T786-R789 WeakPolarHBondContact O-CB 3.5Å; T786-R789 PolarHBondContact O-N 3.39Å; R787-R789 PolarHBondContact O-N 3.32Å
790	G	34.7	Very low	52.3	Low	70 Å²	70	133.8 Å²	133.8	72%	0.722	66%	0.655	S	S	*	*			trans	-56.1	146.8	-166.3	0	0	0	0	0	114.5
791	E	34.2	Very low	51.4	Low	188 Å²	188	135.6 Å²	135.6	88%	0.879	67%	0.673	S	S	*	*				-169.4	137.4	91.3	-92	-179.7	177.1	0	0	108.9	Y793	E791-Y793 PolarHBondContact O-N 3.44Å
792	T	33.2	Very low	50.7	Low	128 Å²	128	140.6 Å²	140.6	79%	0.785	69%	0.69	S	S	*	*			trans	-67.3	115.6	178	41.5	0	0	0	0	111	M794	T792-M794 PolarHBondContact O-N 2.81Å
793	Y	35	Very low	49.8	Very low	229 Å²	229	138.9 Å²	138.9	90%	0.898	70%	0.697	S	S	*	*			trans	-80.9	108.1	156	-93.3	-95.3	0	0	0	108.7	E791 V795	E791-Y793 PolarHBondContact O-N 3.44Å; Y793-V795 PolarHBondContact O-N 3.04Å
794	M	37.9	Very low	49.1	Very low	159 Å²	159	137.3 Å²	137.3	78%	0.783	70%	0.7	S	S	*	*			trans	-60.8	116.3	170	-71.8	-95.8	-169.9	0	0	108.9	T792 Y796	T792-M794 PolarHBondContact O-N 2.81Å; M794-Y796 PolarHBondContact O-N 2.79Å
795	V	42.5	Very low	48.9	Very low	101 Å²	101	135.8 Å²	135.8	61%	0.612	69%	0.692	S	S	*	*			trans	-63.4	116.2	161.3	174.8	0	0	0	0	106.1	Y793 D797	Y793-V795 PolarHBondContact O-N 3.04Å; V795-D797 PolarHBondContact O-N 2.93Å
796	Y	42	Very low	48.5	Very low	178 Å²	178	135.2 Å²	135.2	70%	0.698	69%	0.687	S	S	*	*			trans	-59.8	111.3	173.8	-88.5	-91.9	0	0	0	108.8	M794 K798 E799	M794-Y796 PolarHBondContact O-N 2.79Å; Y796-K798 PolarHBondContact O-N 2.04Å; Y796-E799 PolarHBondContact O-N 2.84Å
797	D	52.2	Low	48.4	Very low	128 Å²	128	138.3 Å²	138.3	68%	0.684	70%	0.699	S	S	*	*	H	α-helix	trans	-52.8	-16.6	169.8	-71.8	-42.2	0	0	0	112.8	V795 A801	V795-D797 PolarHBondContact O-N 2.93Å; D797-A801 PolarHBondContact O-N 2.94Å
798	K	52.4	Low	48.6	Very low	163 Å²	163	136.8 Å²	136.8	71%	0.709	70%	0.699	S	S	*	*	H	α-helix	trans	-67.9	-30.2	176.4	-141.4	176.6	-175.3	-179.1	0	113.7	Y796 H802	Y796-K798 PolarHBondContact O-N 2.04Å; K798-H802 PolarHBondContact O-CD2 3.45Å
799	E	50.4	Low	49.4	Very low	151 Å²	151	134.5 Å²	134.5	71%	0.706	68%	0.683	S	S	*	*	H	α-helix	trans	-84.1	-32.6	177.7	-67.2	-161.1	165.7	0	0	112.4	Y796 A801 H802	Y796-E799 PolarHBondContact O-N 2.84Å; E799-A801 VanDerWaalsContact C-N 3.26Å; E799-A801 PolarHBondContact O-N 3.32Å; E799-H802 PolarHBondContact O-N 2.96Å
800	R	52.9	Low	50.2	Low	172 Å²	172	131.1 Å²	131.1	65%	0.649	68%	0.681	S	S	*	*	H	α-helix	trans	-67.8	-28.1	175.3	-157.8	-178.8	-73.4	178	-2.3	112.2	H802	R800-H802 VanDerWaalsContact C-N 3.26Å; R800-H802 PolarHBondContact O-N 3.42Å
801	A	58.1	Low	51.3	Low	87 Å²	87	136.2 Å²	136.2	72%	0.719	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-18	171.2	0	0	0	0	0	113.7	D797 E799	D797-A801 PolarHBondContact O-N 2.94Å; E799-A801 VanDerWaalsContact C-N 3.26Å; E799-A801 PolarHBondContact O-N 3.32Å
802	H	60.8	Low	52.4	Low	156 Å²	156	134 Å²	134	72%	0.722	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	10.8	178	-86.8	-65	0	0	0	114	K798 E799 R800 N804	K798-H802 PolarHBondContact O-CD2 3.45Å; E799-H802 PolarHBondContact O-N 2.96Å; R800-H802 VanDerWaalsContact C-N 3.26Å; R800-H802 PolarHBondContact O-N 3.42Å; H802-N804 PolarHBondContact O-N 3.38Å
803	G	54.9	Low	53.4	Low	62 Å²	62	135.2 Å²	135.2	64%	0.639	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.1	5.8	165.2	0	0	0	0	0	116.1	D805	G803-D805 PolarHBondContact O-N 3.44Å
804	N	57.2	Low	54	Low	114 Å²	114	132.7 Å²	132.7	61%	0.61	66%	0.663	S	S	*	*			trans	-85.8	87.1	173.1	-70.1	3.6	0	0	0	109.3	H802 P806	H802-N804 PolarHBondContact O-N 3.38Å; N804-P806 WeakPolarHBondContact O-CD 3.16Å
805	D	62.5	Low	54.3	Low	71 Å²	71	131 Å²	131	38%	0.38	66%	0.662	S	S	.	*			trans	-97	103.7	168.8	-169.5	-15.9	0	0	0	109.8	G803 I807 Q808 E809	G803-D805 PolarHBondContact O-N 3.44Å; D805-I807 PolarHBondContact O-N 2.92Å; D805-I807 VanDerWaalsContact O-N 3.09Å; D805-I807 WeakPolarHBondContact OD1-CB 3.37Å; D805-I807 PolarHBondContact OD1-N 3.27Å; D805-Q808 HydrophobicContact CB-CB 4.23Å; D805-Q808 PolarHBondContact O-N 2.84Å; D805-E809 PolarHBondContact O-N 3.19Å
806	P	55.4	Low	54.2	Low	91 Å²	91	135 Å²	135	59%	0.591	67%	0.672	S	S	*	*	H	α-helix	trans	-63.2	-18.2	-177.3	23.9	-32.2	0	0	0	113.4	N804 L810	N804-P806 WeakPolarHBondContact O-CD 3.16Å; P806-L810 PolarHBondContact O-N 3.01Å
807	I	60.1	Low	54.1	Low	137 Å²	137	135.6 Å²	135.6	70%	0.703	68%	0.68	S	S	*	*	H	α-helix	trans	-75.5	-31.7	176	-58.6	176.1	0	0	0	110.5	D805	D805-I807 PolarHBondContact O-N 2.92Å; D805-I807 VanDerWaalsContact O-N 3.09Å; D805-I807 WeakPolarHBondContact OD1-CB 3.37Å; D805-I807 PolarHBondContact OD1-N 3.27Å
808	Q	58.6	Low	53.6	Low	123 Å²	123	136.1 Å²	136.1	58%	0.575	69%	0.689	S	S	*	*	H	α-helix	trans	-77	-40.5	177.9	-164.6	169.4	-2.8	0	0	111.3	D805 L810 K811	D805-Q808 HydrophobicContact CB-CB 4.23Å; D805-Q808 PolarHBondContact O-N 2.84Å; Q808-L810 VanDerWaalsContact C-N 3.28Å; Q808-L810 PolarHBondContact O-N 3.12Å; Q808-K811 PolarHBondContact O-N 2.97Å; Q808-K811 VanDerWaalsContact O-N 3.14Å
809	E	62	Low	52.7	Low	105 Å²	105	138.6 Å²	138.6	49%	0.491	70%	0.7	S	S	.	*	H	α-helix	trans	-63.2	-31.2	177.4	-68	-171.4	-175.3	0	0	113.5	D805 K811	D805-E809 PolarHBondContact O-N 3.19Å; E809-K811 VanDerWaalsContact C-N 3.29Å; E809-K811 PolarHBondContact O-N 2.63Å
810	L	57.2	Low	52	Low	141 Å²	141	140.1 Å²	140.1	74%	0.738	71%	0.707	S	S	*	*	H	α-helix	trans	-71.4	-27.2	178.1	-138.2	89.9	0	0	0	112.4	P806 Q808	P806-L810 PolarHBondContact O-N 3.01Å; Q808-L810 VanDerWaalsContact C-N 3.28Å; Q808-L810 PolarHBondContact O-N 3.12Å
811	K	57.4	Low	51.4	Low	176 Å²	176	142.9 Å²	142.9	77%	0.765	72%	0.717	S	S	*	*	H	α-helix	trans	-80.4	-20.7	-178.1	-128.4	179.5	-176.3	-177.6	0	113.2	Q808 E809	Q808-K811 PolarHBondContact O-N 2.97Å; Q808-K811 VanDerWaalsContact O-N 3.14Å; E809-K811 VanDerWaalsContact C-N 3.29Å; E809-K811 PolarHBondContact O-N 2.63Å
812	E	56.7	Low	50.5	Low	141 Å²	141	147.7 Å²	147.7	66%	0.659	73%	0.725	S	S	*	*	H	α-helix	trans	-86.2	-14.7	-179.4	-70.4	-175.9	172.7	0	0	113.6	E814	E812-E814 PolarHBondContact O-N 3.34Å
813	K	54.2	Low	49.4	Very low	154 Å²	154	148.8 Å²	148.8	67%	0.67	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	8.1	-177.4	-76.4	-175.6	177.4	172.9	0	115.8	F816	K813-F816 WeakPolarHBondContact O-CD2 3.37Å; K813-F816 WeakPolarHBondContact O-CE2 3.37Å
814	E	49.3	Very low	48.6	Very low	176 Å²	176	154.4 Å²	154.4	82%	0.822	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	4.2	177.7	-77.4	-170.2	162.2	0	0	115.3	E812	E812-E814 PolarHBondContact O-N 3.34Å
815	T	42.6	Very low	47.8	Very low	124 Å²	124	154.7 Å²	154.7	76%	0.761	75%	0.748	S	S	*	*			trans	-106.5	72.5	171.3	54.8	0	0	0	0	112	Q817	T815-Q817 PolarHBondContact O-N 3.04Å
816	F	41.9	Very low	46.5	Very low	186 Å²	186	162.2 Å²	162.2	82%	0.816	77%	0.771	S	S	*	*			trans	-78.8	105.5	163.9	-81.6	-87.3	0	0	0	109.3	K813	K813-F816 WeakPolarHBondContact O-CD2 3.37Å; K813-F816 WeakPolarHBondContact O-CE2 3.37Å
817	Q	39.6	Very low	45.6	Very low	189 Å²	189	165.8 Å²	165.8	88%	0.883	78%	0.784	S	S	*	*			trans	-68	127.8	169.8	-74.9	179.5	-6.6	0	0	110	T815 F819	T815-Q817 PolarHBondContact O-N 3.04Å; Q817-F819 PolarHBondContact O-N 3.05Å
818	T	40.6	Very low	44.4	Very low	139 Å²	139	163.2 Å²	163.2	85%	0.853	78%	0.782	S	S	*	*			trans	-65.2	122	171.3	26.1	0	0	0	0	110.1	Q820	T818-Q820 PolarHBondContact O-N 3.24Å; T818-Q820 VanDerWaalsContact O-N 3.08Å
819	F	34.8	Very low	43	Very low	215 Å²	215	164.4 Å²	164.4	94%	0.943	80%	0.799	S	S	*	*			trans	-65.4	106.1	177.3	-147.2	-90.2	0	0	0	109.5	Q817	Q817-F819 PolarHBondContact O-N 3.05Å
820	Q	35.7	Very low	41.6	Very low	184 Å²	184	163.5 Å²	163.5	86%	0.86	80%	0.804	S	S	*	*			trans	-91.7	117.9	173.5	-140.6	172.5	9.5	0	0	108	T818 Q822	T818-Q820 PolarHBondContact O-N 3.24Å; T818-Q820 VanDerWaalsContact O-N 3.08Å; Q820-Q822 PolarHBondContact O-N 2.82Å
821	R	40	Very low	40.3	Very low	230 Å²	230	168.9 Å²	168.9	87%	0.868	81%	0.814	S	S	*	*			trans	-56.4	127.7	175.9	-163.9	180	-158.7	175.4	4.7	108.7	E823	R821-E823 PolarHBondContact O-N 3.24Å; R821-E823 VanDerWaalsContact O-N 3.08Å
822	Q	38.8	Very low	39.1	Very low	187 Å²	187	171.1 Å²	171.1	87%	0.874	82%	0.82	S	S	*	*			trans	-56.5	113.9	171.8	-88.9	176.6	-39.1	0	0	108.8	Q820 E824	Q820-Q822 PolarHBondContact O-N 2.82Å; Q822-E824 PolarHBondContact O-N 3.07Å
823	E	38.5	Very low	38	Very low	179 Å²	179	169.4 Å²	169.4	84%	0.836	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66.2	117.9	164.3	-78.1	-176.7	148.8	0	0	107.8	R821	R821-E823 PolarHBondContact O-N 3.24Å; R821-E823 VanDerWaalsContact O-N 3.08Å
824	E	38.4	Very low	37.1	Very low	180 Å²	180	170.1 Å²	170.1	84%	0.841	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-58.2	136.7	165.2	-85.4	176.5	155.3	0	0	109.3	Q822 R826	Q822-E824 PolarHBondContact O-N 3.07Å; E824-R826 PolarHBondContact O-N 3.17Å
825	P	39.5	Very low	36.3	Very low	120 Å²	120	168.6 Å²	168.6	78%	0.779	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-62.3	132.5	-173.5	-16.8	28.4	0	0	0	111.3	I827	P825-I827 PolarHBondContact O-N 2.86Å
826	R	35.6	Very low	36	Very low	229 Å²	229	170.7 Å²	170.7	86%	0.864	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-54.2	122	170.3	-69.7	-178.7	-177.4	176.9	1.3	109.6	E824 A828	E824-R826 PolarHBondContact O-N 3.17Å; R826-A828 PolarHBondContact O-N 3.06Å
827	I	35.9	Very low	35.5	Very low	167 Å²	167	164.7 Å²	164.7	86%	0.856	83%	0.828	S	S	*	*			trans	-58.9	109.4	170	-60.4	172.5	0	0	0	107.2	P825 T829	P825-I827 PolarHBondContact O-N 2.86Å; I827-T829 PolarHBondContact O-N 2.83Å; I827-T829 VanDerWaalsContact O-N 3.12Å
828	A	34.1	Very low	35.2	Very low	82 Å²	82	161.5 Å²	161.5	68%	0.678	83%	0.826	S	S	*	*			trans	-66	110.9	179.6	0	0	0	0	0	109.3	R826 S830	R826-A828 PolarHBondContact O-N 3.06Å; A828-S830 VanDerWaalsContact C-N 3.33Å; A828-S830 PolarHBondContact O-N 2.83Å
829	T	29.3	Very low	34.9	Very low	149 Å²	149	160.4 Å²	160.4	91%	0.914	82%	0.82	S	S	*	*			trans	-62.9	91.1	167.4	38.2	0	0	0	0	109.4	I827	I827-T829 PolarHBondContact O-N 2.83Å; I827-T829 VanDerWaalsContact O-N 3.12Å
830	S	33.3	Very low	34.6	Very low	86 Å²	86	159.7 Å²	159.7	60%	0.601	81%	0.811	S	S	*	*			trans	-118.2	128.7	164.5	66.5	0	0	0	0	109.5	A828 Y832	A828-S830 VanDerWaalsContact C-N 3.33Å; A828-S830 PolarHBondContact O-N 2.83Å; S830-Y832 PolarHBondContact O-N 3.09Å; S830-Y832 VanDerWaalsContact O-N 3.17Å
831	R	31.1	Very low	34.6	Very low	254 Å²	254	160 Å²	160	96%	0.958	81%	0.81	S	S	*	*			trans	-42.4	109.9	-175.7	-61.5	169.8	178.1	-178.3	-2.3	111.8
832	Y	32	Very low	34.1	Very low	223 Å²	223	154.2 Å²	154.2	88%	0.875	80%	0.796	S	S	*	*			trans	-99.3	116.1	163.2	-99	-91.6	0	0	0	109.9	S830	S830-Y832 PolarHBondContact O-N 3.09Å; S830-Y832 VanDerWaalsContact O-N 3.17Å
833	S	33.5	Very low	33.6	Very low	104 Å²	104	149.8 Å²	149.8	73%	0.727	79%	0.785	S	S	*	*			trans	-62.1	133.4	178.2	-178.3	0	0	0	0	110.6	N835	S833-N835 VanDerWaalsContact C-N 3.28Å; S833-N835 PolarHBondContact O-N 3.26Å
834	L	34.8	Very low	33.2	Very low	170 Å²	170	149.4 Å²	149.4	89%	0.89	78%	0.784	S	S	*	*	S	Bend	trans	-63.4	85.9	165.1	-82.6	140.5	0	0	0	109.3
835	N	33.2	Very low	33.3	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	78%	0.784	S	S	*	*			trans	177	87.5	153.8	-93.5	-6.3	0	0	0	107.5	S833	S833-N835 VanDerWaalsContact C-N 3.28Å; S833-N835 PolarHBondContact O-N 3.26Å
836	D	35.8	Very low	33	Very low	167 Å²	167	151 Å²	151	89%	0.893	79%	0.791	S	S	*	*	S	Bend	trans	177.2	127.5	131.9	-91	-21.3	0	0	0	110.8
837	G	31.7	Very low	33	Very low	61 Å²	61	143.2 Å²	143.2	63%	0.629	78%	0.782	S	S	*	*			trans	56	98.2	141.7	0	0	0	0	0	119.2	V839	G837-V839 PolarHBondContact O-N 2.95Å
838	S	32.7	Very low	32.6	Very low	121 Å²	121	144.5 Å²	144.5	85%	0.846	79%	0.785	S	S	*	*			trans	10	100.8	145.6	58.6	0	0	0	0	117	R840	S838-R840 PolarHBondContact O-N 2.84Å
839	V	34.9	Very low	32.8	Very low	117 Å²	117	148.2 Å²	148.2	71%	0.709	79%	0.793	S	S	*	*			trans	-81.4	109.1	162.4	179	0	0	0	0	107.7	G837 F841	G837-V839 PolarHBondContact O-N 2.95Å; V839-F841 HydrophobicContact CG1-CD2 4.28Å; V839-F841 HydrophobicContact CG1-CE2 3.84Å; V839-F841 HydrophobicContact CG1-CZ 3.99Å
840	R	28	Very low	33	Very low	200 Å²	200	147.2 Å²	147.2	76%	0.755	78%	0.781	S	S	*	*			trans	-85.5	112.8	175.8	-168.2	177.8	177.7	140.9	3.1	107.5	S838 D842	S838-R840 PolarHBondContact O-N 2.84Å; R840-D842 WeakPolarHBondContact CD-OD2 2.98Å; R840-D842 IonicContact CZ-OD2 2.76Å; R840-D842 IonicContact NE-OD1 3.22Å; R840-D842 IonicContact NE-OD2 2.68Å; R840-D842 PolarHBondContact NE-OD2 2.82Å; R840-D842 IonicContact NH2-OD2 2.74Å; R840-D842 PolarHBondContact O-N 2.93Å
841	F	36.7	Very low	32.8	Very low	191 Å²	191	151.9 Å²	151.9	84%	0.838	79%	0.794	S	S	*	*			trans	-87.3	89.4	168.5	-70.2	-84.5	0	0	0	107.3	V839	V839-F841 HydrophobicContact CG1-CD2 4.28Å; V839-F841 HydrophobicContact CG1-CE2 3.84Å; V839-F841 HydrophobicContact CG1-CZ 3.99Å
842	D	28.5	Very low	32.9	Very low	108 Å²	108	150.4 Å²	150.4	58%	0.578	79%	0.79	S	S	*	*			trans	-90	132.2	166.8	-78.4	-31	0	0	0	109.4	R840	R840-D842 WeakPolarHBondContact CD-OD2 2.98Å; R840-D842 IonicContact CZ-OD2 2.76Å; R840-D842 IonicContact NE-OD1 3.22Å; R840-D842 IonicContact NE-OD2 2.68Å; R840-D842 PolarHBondContact NE-OD2 2.82Å; R840-D842 IonicContact NH2-OD2 2.74Å; R840-D842 PolarHBondContact O-N 2.93Å
843	S	28.3	Very low	32.8	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	78%	0.782	S	S	*	*			trans	73.7	133.3	144.8	83.2	0	0	0	0	123.1
844	E	30.9	Very low	32.4	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	79%	0.788	S	S	*	*			trans	84.8	101.8	137.7	-74	163.7	-160.2	0	0	118.3
845	D	39	Very low	32	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	78%	0.78	S	S	*	*				-167.8	108.5	106	-105	-19.7	0	0	0	110.9
846	D	33.9	Very low	32.2	Very low	174 Å²	174	137 Å²	137	93%	0.93	78%	0.781	S	S	*	*			trans	-70.6	122.7	153.7	-73.6	-44.9	0	0	0	107.5
847	G	34.6	Very low	32.1	Very low	66 Å²	66	138 Å²	138	68%	0.68	78%	0.78	S	S	*	*			trans	-154.9	81.5	179.8	0	0	0	0	0	112.1	L849	G847-L849 PolarHBondContact O-N 3.35Å
848	E	28.6	Very low	31.9	Very low	193 Å²	193	140.6 Å²	140.6	90%	0.902	78%	0.784	S	S	*	*			trans	-53.9	129.8	156.3	-69.3	-176.1	152.8	0	0	109.5
849	L	37.6	Very low	31.5	Very low	161 Å²	161	143.4 Å²	143.4	84%	0.843	78%	0.783	S	S	*	*			trans	-139.2	87.6	169.8	-99.5	162.3	0	0	0	109.8	G847	G847-L849 PolarHBondContact O-N 3.35Å
850	D	34.5	Very low	31.4	Very low	127 Å²	127	142.8 Å²	142.8	68%	0.679	78%	0.781	S	S	*	*			trans	35.6	109.4	139	-61.4	-25.9	0	0	0	120.9	Y852	D850-Y852 PolarHBondContact O-N 2.9Å
851	E	28.9	Very low	31.2	Very low	184 Å²	184	139.8 Å²	139.8	86%	0.86	78%	0.78	S	S	*	*			trans	-14.9	101.5	132	-169.2	172.5	-162.7	0	0	115.4	A853	E851-A853 PolarHBondContact O-N 2.91Å
852	Y	33.1	Very low	30.9	Very low	224 Å²	224	139.2 Å²	139.2	88%	0.878	79%	0.785	S	S	*	*			trans	-87.4	94.6	155.8	-91.7	-89.2	0	0	0	109.7	D850	D850-Y852 PolarHBondContact O-N 2.9Å
853	A	28.8	Very low	30.5	Very low	86 Å²	86	139 Å²	139	71%	0.711	79%	0.787	S	S	*	*			trans	-58.4	149	162.4	0	0	0	0	0	112.2	E851	E851-A853 PolarHBondContact O-N 2.91Å
854	G	26.2	Very low	30.5	Very low	82 Å²	82	140.6 Å²	140.6	85%	0.845	79%	0.793	S	S	*	*			trans	120.3	92.4	134.9	0	0	0	0	0	117.7
855	G	27	Very low	30.3	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	79%	0.786	S	S	*	*				118.3	157.9	123.4	0	0	0	0	0	118.2
856	P	37.4	Very low	29.5	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	78%	0.783	S	S	*	*				-130.8	150.9	-112.1	36.2	-22.2	0	0	0	114
857	Q	32.9	Very low	29.2	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	77%	0.773	S	S	*	*			trans	-141.7	96	155.2	-70.3	-157.5	6.2	0	0	111.9
858	T	27.5	Very low	28.7	Very low	115 Å²	115	137.1 Å²	137.1	71%	0.706	78%	0.78	S	S	*	*			trans	15.6	120	133.6	47	0	0	0	0	120.8
859	H	24.7	Very low	28.9	Very low	179 Å²	179	136.5 Å²	136.5	83%	0.829	78%	0.777	S	S	*	*				46.7	153.7	123.5	-70	-60.3	0	0	0	121.5
860	P	31.4	Very low	28.4	Very low	104 Å²	104	136.2 Å²	136.2	68%	0.675	77%	0.771	S	S	*	*			cis	-145.3	172.3	22.4	41.5	-21.3	0	0	0	118.5
861	L	25	Very low	27.8	Very low	137 Å²	137	138.5 Å²	138.5	72%	0.717	78%	0.778	S	S	*	*			trans	63.3	107.8	139.6	-78.4	155.1	0	0	0	121.2
862	L	29.3	Very low	27.9	Very low	180 Å²	180	135.4 Å²	135.4	94%	0.942	78%	0.776	S	S	*	*				-152	120.3	123.6	-106	145	0	0	0	109.9
863	T	21.9	Very low	27.5	Very low	104 Å²	104	133.1 Å²	133.1	64%	0.638	77%	0.774	S	S	*	*			trans	-121.6	131.9	-174.3	-39.4	0	0	0	0	107.5
864	T	27.8	Very low	27.7	Very low	125 Å²	125	137.5 Å²	137.5	77%	0.767	78%	0.779	S	S	*	*			trans	171.1	103.5	145.9	18.5	0	0	0	0	108.3
865	T	25.3	Very low	27.6	Very low	106 Å²	106	141.9 Å²	141.9	65%	0.65	78%	0.778	S	S	*	*				85	119.6	85.2	42.9	0	0	0	0	117.3
866	I	23.9	Very low	28	Very low	153 Å²	153	145.3 Å²	145.3	79%	0.785	78%	0.778	S	S	*	*				69	113.4	129.5	-54	163	0	0	0	118.1
867	S	27.6	Very low	27.4	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	78%	0.776	S	S	*	*				176.6	129.6	97.8	61.9	0	0	0	0	112.5
868	T	24	Very low	27.4	Very low	135 Å²	135	142.7 Å²	142.7	83%	0.828	77%	0.772	S	S	*	*			trans	-62.5	142.8	163.5	43.2	0	0	0	0	113.1
869	H	31.3	Very low	27.2	Very low	180 Å²	180	144.8 Å²	144.8	83%	0.833	78%	0.779	S	S	*	*			trans	-141.9	129.5	151.4	-114.5	-51.3	0	0	0	112.2
870	Q	27.6	Very low	27.4	Very low	156 Å²	156	148.8 Å²	148.8	73%	0.729	80%	0.797	S	S	*	*			trans	-40.9	141.6	171	-75	162.8	-64.5	0	0	114.9
871	E	23.1	Very low	27.2	Very low	175 Å²	175	151.1 Å²	151.1	82%	0.818	80%	0.803	S	S	*	*				65.1	102.8	69.2	-156	179.4	-139.2	0	0	113.2
872	S	30.4	Very low	27.3	Very low	118 Å²	118	151.8 Å²	151.8	83%	0.825	81%	0.808	S	S	*	*			trans	-163.3	137.1	145.6	60	0	0	0	0	112.8
873	Q	25.4	Very low	27.2	Very low	177 Å²	177	150.2 Å²	150.2	83%	0.827	80%	0.801	S	S	*	*			trans	-75.1	150.8	-179.5	-67.9	144.8	-39.2	0	0	112.2
874	H	31.6	Very low	27.5	Very low	178 Å²	178	152.9 Å²	152.9	82%	0.824	81%	0.81	S	S	*	*			trans	-130.5	103.6	151.6	-103.8	-68.8	0	0	0	109.4
875	Q	25.4	Very low	27.5	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.813	81%	0.813	S	S	*	*			trans	-121	117.4	165.6	-163.4	173.5	4.2	0	0	105.1
876	I	33.9	Very low	27.7	Very low	143 Å²	143	157.9 Å²	157.9	73%	0.733	82%	0.824	S	S	*	*			trans	-115.8	106	177.4	-64.2	176.9	0	0	0	107
877	D	25.3	Very low	27.9	Very low	140 Å²	140	158.3 Å²	158.3	75%	0.749	83%	0.826	S	S	*	*			trans	-76.7	141.9	158.7	-77.9	-38	0	0	0	109.5
878	S	33.5	Very low	27.9	Very low	113 Å²	113	162.5 Å²	162.5	79%	0.79	83%	0.834	S	S	*	*			trans	-148.1	102	148.8	63	0	0	0	0	110
879	N	22.2	Very low	28.3	Very low	159 Å²	159	164.8 Å²	164.8	85%	0.85	84%	0.835	S	S	*	*			trans	-69.4	115.2	158.4	-84.3	-40.8	0	0	0	109.4
880	H	29.7	Very low	28	Very low	264 Å²	264	163.4 Å²	163.4	100%	1.222	84%	0.835	S	S	*	*				-177	0	122.1	-108	-11.6	0	0	0	111.1

Retrieved 880 of 880 residues in 926.7 ms (Link to these results)

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