A0A077ZES6_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZES6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,220 aa.

						>A0A077ZES6_TRITR|A0A077ZES6
MSILHHWAACLWLLCLYSLQQEVTSQCGEPEKYGGQSIQAYLDNKSEVLPWTVAIRGKFGSFKCLGSIIPETDFNGRHRNSSKLILTAGSCFRHVLKKRWGTPSSYKVFAGLDRLRLFLNEGQSGEPKGIRIMPYNRVNENIWNGIALVTLKKPFVFNKEVSPVCVKAAYAIPSDTSKCFVSTYHNRRLDEDIVRMVPGSLCNFGHFPELAKTKGLCSHHDRTETEKSLGGPLVCLLKGKAYQYGVYLSELITKGASASQKESLHFYGHVATVLDRNPANVYGFIELGLSQKPSPTKKSSSASEEKPDQGCKHPPTDNKPPRPGKLPCPKPTRPAQPAPPVQQRPVYCGDTDTFGRTVESYVTGNNAQDMFPWNVIITSRVKGSTKCIGSLVHRGGYQQIANTSDLIITAADCFKKYTPASAKSELLIFANSPRFSRQKRRGIKVKIADVKLYGLPWGNNETLRGIAILKLERPLSRVDNVVPVCLAERDSVPPPSASCYVTYYDKREHRMDEEIVMITRKPRCLAANSKAPQYRGVCAMEEKKRQYIQLGSPMVCLVNGRVYLYGVYLNQLSLKINNNVKQNLGFYGEINVAHDVFSGKKVQTLYENVDHQPGVKPHKPTHASSSSSSSSSASREKRRRRTRIISEVYIPIPTTQPTISRPEQKRSKSSSSSSSSSLDSSSKHITVSHEIKDSSKSAEETDDSTAVIRLNAKLIKTRLAASLGFNKTKRPHHSGSSSSSLGEEIIPHPLPDRHWNTVPKSAEETEDSTRVIRVNVKLVKTRLAGLLRFNETKRPHHSGSSSSSLGEEIIPHPLPERPKGPVICPTPGQRPVKPTPDSSNGVLICPTHDNAIQIVPLPTPLPTAEYPSSSLEAVNMVILPSLPKYDLSDQTIADHEHILVQDNIVGESAIAKGRTASCDIIGIDNSMHSLLPGKSSGEIIGNEIDSRIPDVTEALQTVPCTRGNSTEHHQYDHLPGASGVHIFIVSGSFIEPLCTGTLYAKRGEEYSDEVVTSSRCVPPTGNNKYQVYIGSLLPRKMAVDQLNRTLIEVGNVYARPFYEGYDELKNIGMTMLKLKHRVKVINGVQPFPLPYSGTGASSRMQCYISGVCQHGMPVRVQYQLLTPTECKQHLGKKFLPSVMYCGVGQKNVLQYPIGSPLVCQSSGNWVQFGIYDHSFPTRRSYAAGESENEIIPDDVALFVKLEGDNVGQVQNADTISNDIV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.4	Low	71.5	Confident	205 Å²	205	115.3 Å²	115.3	100%	1.01	61%	0.61	S	S	*	*				0	-48.1	0	-75.4	-179.2	173.1	0	0	113.9	I3 L4 H5	M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.24Å; M1-I3 VanDerWaalsContact O-N 3.08Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-H5 PolarHBondContact O-N 3.14Å
2	S	63.1	Low	72.1	Confident	80 Å²	80	121.3 Å²	121.3	56%	0.559	62%	0.618	S	S	*	*	H	α-helix	trans	-47.5	-42.2	-174.6	-166.1	0	0	0	0	115.4	L4 H5 H6	S2-L4 VanDerWaalsContact C-N 3.34Å; S2-L4 PolarHBondContact O-N 3.3Å; S2-H5 PolarHBondContact O-N 3Å; S2-H6 PolarHBondContact O-CD2 2.72Å; S2-H6 PolarHBondContact O-N 3.4Å
3	I	67.8	Low	72.6	Confident	122 Å²	122	120.9 Å²	120.9	63%	0.626	62%	0.617	S	S	*	*	H	α-helix	trans	-58	-41.6	177.2	-60.3	173.4	0	0	0	112.2	M1 H5 H6 W7	M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.24Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-H5 VanDerWaalsContact C-N 3.31Å; I3-H5 PolarHBondContact O-N 3.41Å; I3-H6 PolarHBondContact O-N 3.02Å; I3-W7 PolarHBondContact O-N 2.86Å
4	L	65.3	Low	72.9	Confident	137 Å²	137	119.1 Å²	119.1	72%	0.717	61%	0.609	S	S	*	*	H	α-helix	trans	-64.7	-35.3	176.1	-99.2	76.7	0	0	0	112	M1 S2 W7 A8	M1-L4 PolarHBondContact O-N 2.95Å; S2-L4 VanDerWaalsContact C-N 3.34Å; S2-L4 PolarHBondContact O-N 3.3Å; L4-W7 PolarHBondContact O-N 2.85Å; L4-A8 WeakPolarHBondContact O-CB 3.44Å; L4-A8 PolarHBondContact O-N 3.39Å
5	H	69.6	Low	73	Confident	138 Å²	138	116.1 Å²	116.1	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-68.1	-37.6	174.5	-83.4	-76.7	0	0	0	112.2	M1 S2 I3 A9	M1-H5 PolarHBondContact O-N 3.14Å; S2-H5 PolarHBondContact O-N 3Å; I3-H5 VanDerWaalsContact C-N 3.31Å; I3-H5 PolarHBondContact O-N 3.41Å; H5-A9 WeakPolarHBondContact O-CB 3.43Å; H5-A9 PolarHBondContact O-N 3.02Å
6	H	71.2	Confident	73	Confident	131 Å²	131	112.9 Å²	112.9	61%	0.606	59%	0.585	S	S	*	*	H	α-helix	trans	-67.3	-40.8	173.2	-75.8	-66.1	0	0	0	112.6	S2 I3 A9 C10	S2-H6 PolarHBondContact O-CD2 2.72Å; S2-H6 PolarHBondContact O-N 3.4Å; I3-H6 PolarHBondContact O-N 3.02Å; H6-A9 PolarHBondContact O-N 3.05Å; H6-C10 WeakPolarHBondContact O-CB 3.13Å; H6-C10 PolarHBondContact O-N 2.74Å
7	W	75.5	Confident	72.6	Confident	178 Å²	178	116.8 Å²	116.8	67%	0.674	59%	0.592	S	S	*	*	H	α-helix	trans	-66.5	-41.5	174	-84.9	82	0	0	0	112.3	I3 L4 C10 L11	I3-W7 PolarHBondContact O-N 2.86Å; L4-W7 PolarHBondContact O-N 2.85Å; W7-C10 PolarHBondContact O-N 3.21Å; W7-L11 WeakPolarHBondContact O-CB 3.33Å; W7-L11 WeakPolarHBondContact O-CG 3.48Å; W7-L11 PolarHBondContact O-N 3.36Å
8	A	80.2	Confident	71.8	Confident	56 Å²	56	114.6 Å²	114.6	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-43.8	174.6	0	0	0	0	0	111.8	L4 L11 W12	L4-A8 WeakPolarHBondContact O-CB 3.44Å; L4-A8 PolarHBondContact O-N 3.39Å; A8-L11 PolarHBondContact O-N 2.85Å; A8-W12 WeakPolarHBondContact O-CB 3.03Å; A8-W12 PolarHBondContact O-N 2.67Å
9	A	79	Confident	70.8	Confident	49 Å²	49	116.2 Å²	116.2	41%	0.405	60%	0.598	S	S	.	*	H	α-helix	trans	-66.1	-38.2	175.9	0	0	0	0	0	112.3	H5 H6 W12 L13	H5-A9 WeakPolarHBondContact O-CB 3.43Å; H5-A9 PolarHBondContact O-N 3.02Å; H6-A9 PolarHBondContact O-N 3.05Å; A9-W12 PolarHBondContact O-N 3.04Å; A9-L13 WeakPolarHBondContact O-CB 2.74Å; A9-L13 VanDerWaalsContact O-CG 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.26Å; A9-L13 PolarHBondContact O-N 2.8Å
10	C	80.4	Confident	69.6	Low	70 Å²	70	117.9 Å²	117.9	47%	0.473	60%	0.603	S	S	.	*	H	α-helix	trans	-68.4	-40.6	175.3	-166	0	0	0	0	111.6	H6 W7 W12 L13 L14	H6-C10 WeakPolarHBondContact O-CB 3.13Å; H6-C10 PolarHBondContact O-N 2.74Å; W7-C10 PolarHBondContact O-N 3.21Å; C10-W12 VanDerWaalsContact C-N 3.35Å; C10-L13 PolarHBondContact O-N 3.11Å; C10-L14 WeakPolarHBondContact O-CB 3.43Å; C10-L14 VanDerWaalsContact O-CG 3.32Å; C10-L14 WeakPolarHBondContact O-CG 3.18Å; C10-L14 PolarHBondContact O-N 3.15Å
11	L	80.1	Confident	68	Low	102 Å²	102	119.2 Å²	119.2	53%	0.534	61%	0.607	S	S	.	*	H	α-helix	trans	-64.6	-36.5	170.9	-79.2	166.1	0	0	0	112.2	W7 A8 L14 C15	W7-L11 WeakPolarHBondContact O-CB 3.33Å; W7-L11 WeakPolarHBondContact O-CG 3.48Å; W7-L11 PolarHBondContact O-N 3.36Å; A8-L11 PolarHBondContact O-N 2.85Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-C15 WeakPolarHBondContact O-CB 3.21Å; L11-C15 PolarHBondContact O-N 3.33Å
12	W	79	Confident	67.3	Low	188 Å²	188	117.6 Å²	117.6	71%	0.712	60%	0.597	S	S	*	*	H	α-helix	trans	-72.3	-37.1	176.6	-147.4	65.3	0	0	0	111.7	A8 A9 C10 C15 L16	A8-W12 WeakPolarHBondContact O-CB 3.03Å; A8-W12 PolarHBondContact O-N 2.67Å; A9-W12 PolarHBondContact O-N 3.04Å; C10-W12 VanDerWaalsContact C-N 3.35Å; W12-C15 PolarHBondContact O-N 2.95Å; W12-L16 HydrophobicContact CD2-CD1 4.26Å; W12-L16 HydrophobicContact CE3-CD1 3.66Å; W12-L16 HydrophobicContact CZ3-CD1 3.89Å; W12-L16 WeakPolarHBondContact O-CB 3.26Å; W12-L16 VanDerWaalsContact O-CG 3.25Å; W12-L16 WeakPolarHBondContact O-CG 3.43Å; W12-L16 PolarHBondContact O-N 2.82Å
13	L	77.7	Confident	66.3	Low	116 Å²	116	119.1 Å²	119.1	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-66.3	-39.9	170.3	-77.2	165.8	0	0	0	111.9	A9 C10 L16 Y17	A9-L13 WeakPolarHBondContact O-CB 2.74Å; A9-L13 VanDerWaalsContact O-CG 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.26Å; A9-L13 PolarHBondContact O-N 2.8Å; C10-L13 PolarHBondContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-Y17 VanDerWaalsContact O-CB 3.28Å; L13-Y17 WeakPolarHBondContact O-CB 3Å; L13-Y17 PolarHBondContact O-N 2.96Å
14	L	76.9	Confident	65.4	Low	96 Å²	96	118.6 Å²	118.6	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-66.2	-42.6	172.8	-78.7	164.4	0	0	0	111.5	C10 L11 Y17 S18	C10-L14 WeakPolarHBondContact O-CB 3.43Å; C10-L14 VanDerWaalsContact O-CG 3.32Å; C10-L14 WeakPolarHBondContact O-CG 3.18Å; C10-L14 PolarHBondContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 2.85Å; L14-Y17 PolarHBondContact O-N 2.98Å; L14-S18 WeakPolarHBondContact O-CB 3.14Å; L14-S18 PolarHBondContact O-N 2.83Å; L14-S18 PolarHBondContact O-OG 3.37Å
15	C	75.2	Confident	65	Low	73 Å²	73	113.7 Å²	113.7	49%	0.493	58%	0.582	S	S	.	*	H	α-helix	trans	-62.3	-40.7	171.8	-86.2	0	0	0	0	112	L11 W12 S18 L19	L11-C15 WeakPolarHBondContact O-CB 3.21Å; L11-C15 PolarHBondContact O-N 3.33Å; W12-C15 PolarHBondContact O-N 2.95Å; C15-S18 PolarHBondContact O-N 3.02Å; C15-L19 VanDerWaalsContact O-CB 3.28Å; C15-L19 WeakPolarHBondContact O-CB 3.41Å; C15-L19 WeakPolarHBondContact O-CD1 3.45Å; C15-L19 VanDerWaalsContact O-CG 3.24Å; C15-L19 WeakPolarHBondContact O-CG 3.29Å; C15-L19 PolarHBondContact O-N 2.93Å
16	L	72	Confident	65.5	Low	66 Å²	66	110.6 Å²	110.6	35%	0.346	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-39.3	173.3	-77.6	166.6	0	0	0	111.3	W12 L13 L19 Q20	W12-L16 HydrophobicContact CD2-CD1 4.26Å; W12-L16 HydrophobicContact CE3-CD1 3.66Å; W12-L16 HydrophobicContact CZ3-CD1 3.89Å; W12-L16 WeakPolarHBondContact O-CB 3.26Å; W12-L16 VanDerWaalsContact O-CG 3.25Å; W12-L16 WeakPolarHBondContact O-CG 3.43Å; W12-L16 PolarHBondContact O-N 2.82Å; L13-L16 PolarHBondContact O-N 3.48Å; L16-L19 CarbonylContact O-C 3.54Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-Q20 VanDerWaalsContact O-CB 3.31Å; L16-Q20 WeakPolarHBondContact O-CB 3.49Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.38Å; L16-Q20 PolarHBondContact O-N 3.18Å
17	Y	67.6	Low	66.3	Low	179 Å²	179	104.6 Å²	104.6	70%	0.702	54%	0.541	S	S	*	.	H	α-helix	trans	-68.6	-35.7	176.3	-158.6	-100.2	0	0	0	112.1	L13 L14 Q20 Q21	L13-Y17 VanDerWaalsContact O-CB 3.28Å; L13-Y17 WeakPolarHBondContact O-CB 3Å; L13-Y17 PolarHBondContact O-N 2.96Å; L14-Y17 PolarHBondContact O-N 2.98Å; Y17-Q20 CarbonylContact O-C 3.5Å; Y17-Q20 PolarHBondContact O-N 3.4Å; Y17-Q21 PolarHBondContact O-N 3.46Å
18	S	57.9	Low	67	Low	77 Å²	77	96.1 Å²	96.1	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-73.3	-28.2	170.4	-63.7	0	0	0	0	113.3	L14 C15 Q21	L14-S18 WeakPolarHBondContact O-CB 3.14Å; L14-S18 PolarHBondContact O-N 2.83Å; L14-S18 PolarHBondContact O-OG 3.37Å; C15-S18 PolarHBondContact O-N 3.02Å; S18-Q21 WeakPolarHBondContact O-CB 3.48Å; S18-Q21 PolarHBondContact O-N 2.77Å
19	L	52.3	Low	67.5	Low	144 Å²	144	95.8 Å²	95.8	75%	0.754	50%	0.498	S	S	*	.	H	α-helix	trans	-79.5	-23.9	171	-75.9	162.9	0	0	0	112.3	C15 L16 Q21	C15-L19 VanDerWaalsContact O-CB 3.28Å; C15-L19 WeakPolarHBondContact O-CB 3.41Å; C15-L19 WeakPolarHBondContact O-CD1 3.45Å; C15-L19 VanDerWaalsContact O-CG 3.24Å; C15-L19 WeakPolarHBondContact O-CG 3.29Å; C15-L19 PolarHBondContact O-N 2.93Å; L16-L19 CarbonylContact O-C 3.54Å; L16-L19 PolarHBondContact O-N 3.22Å; L19-Q21 VanDerWaalsContact C-N 3.34Å
20	Q	46.4	Very low	68	Low	150 Å²	150	93.5 Å²	93.5	70%	0.701	48%	0.479	S	S	*	.	S	Bend	trans	-87.6	1.2	167.2	-71.9	-171.9	-77.7	0	0	113	L16 Y17 E22	L16-Q20 VanDerWaalsContact O-CB 3.31Å; L16-Q20 WeakPolarHBondContact O-CB 3.49Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.38Å; L16-Q20 PolarHBondContact O-N 3.18Å; Y17-Q20 CarbonylContact O-C 3.5Å; Y17-Q20 PolarHBondContact O-N 3.4Å; Q20-E22 PolarHBondContact O-N 2.93Å
21	Q	37.3	Very low	68.4	Low	146 Å²	146	95.1 Å²	95.1	68%	0.682	48%	0.48	S	S	*	.	S	Bend	trans	-60.9	109.4	169.7	-168.7	172	31.5	0	0	107.1	Y17 S18 L19 V23	Y17-Q21 PolarHBondContact O-N 3.46Å; S18-Q21 WeakPolarHBondContact O-CB 3.48Å; S18-Q21 PolarHBondContact O-N 2.77Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-V23 PolarHBondContact O-N 2.86Å
22	E	39.5	Very low	68.7	Low	171 Å²	171	95.5 Å²	95.5	80%	0.799	48%	0.477	S	S	*	.			trans	-45.6	131.3	-168.3	-65.4	-173.2	121.8	0	0	110.7	Q20 T24	Q20-E22 PolarHBondContact O-N 2.93Å; E22-T24 VanDerWaalsContact C-N 3.34Å; E22-T24 WeakPolarHBondContact O-CA 3.1Å; E22-T24 VanDerWaalsContact O-CG2 3.3Å; E22-T24 WeakPolarHBondContact O-CG2 3.2Å; E22-T24 PolarHBondContact O-N 2.84Å
23	V	41.1	Very low	69.2	Low	112 Å²	112	87.9 Å²	87.9	68%	0.679	45%	0.448	S	S	*	.			trans	-57.5	99.1	179.5	177.7	0	0	0	0	108.3	Q21 S25	Q21-V23 PolarHBondContact O-N 2.86Å; V23-S25 PolarHBondContact O-N 3.12Å
24	T	48.6	Very low	69.6	Low	111 Å²	111	85.1 Å²	85.1	68%	0.681	45%	0.448	S	S	*	.			trans	-69.8	95.6	-163	40.9	0	0	0	0	109.8	E22 Q26	E22-T24 VanDerWaalsContact C-N 3.34Å; E22-T24 WeakPolarHBondContact O-CA 3.1Å; E22-T24 VanDerWaalsContact O-CG2 3.3Å; E22-T24 WeakPolarHBondContact O-CG2 3.2Å; E22-T24 PolarHBondContact O-N 2.84Å; T24-Q26 PolarHBondContact O-N 3.3Å
25	S	57.9	Low	70	Confident	34 Å²	34	81.3 Å²	81.3	24%	0.238	43%	0.431	C	S	.	.			trans	-62.3	98	-175.2	46.2	0	0	0	0	110.5	V23 C27 H78 K240	V23-S25 PolarHBondContact O-N 3.12Å; S25-C27 PolarHBondContact O-N 2.86Å; S25-H78 VanDerWaalsContact CB-NE2 3.29Å; S25-H78 WeakPolarHBondContact CB-NE2 3.48Å; S25-K240 WeakPolarHBondContact O-CE 3.46Å; S25-K240 PolarHBondContact O-NZ 2.77Å; S25-K240 PolarHBondContact OG-NZ 3.39Å
26	Q	79.3	Confident	70.5	Confident	74 Å²	74	81.8 Å²	81.8	35%	0.346	43%	0.427	S	S	.	.			trans	-65.4	5.4	-172.8	-65.2	178.1	-16.7	0	0	115.2	T24 Y33	T24-Q26 PolarHBondContact O-N 3.3Å; Q26-Y33 HydrophobicContact CB-CE2 4.41Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.44Å; Q26-Y33 VanDerWaalsContact O-CE2 3.28Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.5Å; Q26-Y33 PolarHBondContact O-OH 3.06Å
27	C	89.4	Confident	71.3	Confident	4 Å²	4	80.7 Å²	80.7	3%	0.027	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	156.9	171.7	57.3	0	0	0	0	111.9	S25 E29 P70 H78 P163 C165 K240	S25-C27 PolarHBondContact O-N 2.86Å; C27-E29 PolarHBondContact O-N 2.78Å; C27-P70 HydrophobicContact CB-CG 4.27Å; C27-H78 VanDerWaalsContact SG-CE1 3.57Å; C27-P163 CarbonylContact C-O 3.55Å; C27-P163 WeakPolarHBondContact CA-O 3.39Å; C27-P163 HydrophobicContact CB-CG 4.08Å; C27-C165 HydrophobicContact CB-CB 4.01Å; C27-C165 WeakPolarHBondContact CB-SG 3.33Å; C27-C165 PolarHBondContact O-SG 2.83Å; C27-C165 WeakPolarHBondContact SG-CA 2.91Å; C27-C165 WeakPolarHBondContact SG-CB 3.3Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 3.47Å; C27-K240 WeakPolarHBondContact O-CE 3.39Å
28	G	89	Confident	72.1	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.01	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	17.2	173.5	0	0	0	0	0	114.8	I38 P163 A241	G28-I38 WeakPolarHBondContact O-CD1 3.28Å; G28-P163 PolarHBondContact N-O 3.41Å; G28-A241 WeakPolarHBondContact CA-O 2.97Å; G28-A241 PolarHBondContact O-N 3.49Å
29	E	90.3	Very high	73.3	Confident	48 Å²	48	72.6 Å²	72.6	22%	0.224	39%	0.385	C	S	.	.			trans	-138.3	81.8	-179.8	-66.6	174.7	54.3	0	0	109.8	C27 E31 K32 K240	C27-E29 PolarHBondContact O-N 2.78Å; E29-E31 PolarHBondContact O-N 3.12Å; E29-K32 HydrophobicContact CB-CG 3.83Å; E29-K32 WeakPolarHBondContact O-CG 3.41Å; E29-K32 PolarHBondContact O-N 2.91Å; E29-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 WeakPolarHBondContact OE1-CE 3.47Å; E29-K32 IonicContact OE1-NZ 2.82Å; E29-K240 HydrophobicContact CG-CB 4.49Å; E29-K240 HydrophobicContact CG-CD 4.26Å; E29-K240 HydrophobicContact CG-CG 4.08Å; E29-K240 WeakPolarHBondContact OE2-CD 3.39Å; E29-K240 VanDerWaalsContact OE2-CE 3.29Å; E29-K240 WeakPolarHBondContact OE2-CE 3.4Å; E29-K240 IonicContact OE2-NZ 3.29Å; E29-K240 PolarHBondContact OE2-NZ 3.07Å
30	P	89.9	Confident	74.8	Confident	1 Å²	1	67 Å²	67	1%	0.006	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-60.1	-29.2	-171.8	-26.8	36.6	0	0	0	115.3	K32 Y33 G34 G35 I38 Y41 P50 W51	P30-K32 PolarHBondContact O-N 2.98Å; P30-K32 VanDerWaalsContact O-N 3.14Å; P30-Y33 PolarHBondContact O-N 2.82Å; P30-G34 PolarHBondContact O-N 2.88Å; P30-G35 PolarHBondContact O-N 3.43Å; P30-I38 HydrophobicContact CG-CG1 4.37Å; P30-Y41 HydrophobicContact CB-CE2 3.85Å; P30-Y41 HydrophobicContact CG-CD2 4.48Å; P30-Y41 HydrophobicContact CG-CE2 4.08Å; P30-P50 HydrophobicContact CB-CG 3.81Å; P30-P50 HydrophobicContact CG-CG 3.69Å; P30-W51 HydrophobicContact CG-CH2 4.44Å; P30-W51 HydrophobicContact CG-CZ3 3.85Å
31	E	88.5	Confident	76.5	Confident	105 Å²	105	60.7 Å²	60.7	49%	0.491	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-49.5	-36.1	173.1	-61.5	172.6	-170.6	0	0	112.6	E29 Y33 G34 G35 S37	E29-E31 PolarHBondContact O-N 3.12Å; E31-Y33 PolarHBondContact O-N 2.87Å; E31-Y33 VanDerWaalsContact O-N 3.1Å; E31-G34 PolarHBondContact O-N 2.87Å; E31-G35 WeakPolarHBondContact CA-O 3.18Å; E31-S37 VanDerWaalsContact OE1-CA 3.25Å; E31-S37 WeakPolarHBondContact OE1-CA 3.48Å; E31-S37 WeakPolarHBondContact OE1-CB 3.42Å
32	K	87.7	Confident	78.5	Confident	109 Å²	109	55.2 Å²	55.2	47%	0.474	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-67.2	-11.5	-179.7	-50.6	-50.4	177.1	-156.8	0	113.3	E29 P30	E29-K32 HydrophobicContact CB-CG 3.83Å; E29-K32 WeakPolarHBondContact O-CG 3.41Å; E29-K32 PolarHBondContact O-N 2.91Å; E29-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 WeakPolarHBondContact OE1-CE 3.47Å; E29-K32 IonicContact OE1-NZ 2.82Å; P30-K32 PolarHBondContact O-N 2.98Å; P30-K32 VanDerWaalsContact O-N 3.14Å
33	Y	87.9	Confident	80.5	Confident	29 Å²	29	52.4 Å²	52.4	11%	0.114	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-116.8	10.9	175.6	-54.6	-70.3	0	0	0	112.8	Q26 P30 E31 F157 N158 K159	Q26-Y33 HydrophobicContact CB-CE2 4.41Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.44Å; Q26-Y33 VanDerWaalsContact O-CE2 3.28Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.5Å; Q26-Y33 PolarHBondContact O-OH 3.06Å; P30-Y33 PolarHBondContact O-N 2.82Å; E31-Y33 PolarHBondContact O-N 2.87Å; E31-Y33 VanDerWaalsContact O-N 3.1Å; Y33-F157 HydrophobicContact CD1-CB 3.55Å; Y33-F157 HydrophobicContact CD1-CD2 4.38Å; Y33-F157 HydrophobicContact CD1-CG 4.45Å; Y33-F157 HydrophobicContact CE1-CB 3.8Å; Y33-F157 AromaticContact CE1-CD2 3.74Å; Y33-F157 HydrophobicContact CE1-CD2 3.74Å; Y33-F157 HydrophobicContact CE1-CG 4.26Å; Y33-F157 HydrophobicContact CE2-CD2 4.35Å; Y33-F157 HydrophobicContact CG-CB 3.94Å; Y33-F157 AromaticContact CZ-CD2 3.71Å; Y33-N158 CarbonylContact O-C 3.6Å; Y33-K159 PolarHBondContact O-N 3.06Å; Y33-K159 VanDerWaalsContact O-N 3.12Å
34	G	86	Confident	82.3	Confident	58 Å²	58	50.4 Å²	50.4	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	13.1	-178.3	0	0	0	0	0	114.9	P30 E31 K159	P30-G34 PolarHBondContact O-N 2.88Å; E31-G34 PolarHBondContact O-N 2.87Å; G34-K159 WeakPolarHBondContact O-CB 3.32Å
35	G	86.1	Confident	83.1	Confident	15 Å²	15	52.9 Å²	52.9	16%	0.155	28%	0.281	C	S	.	.			trans	-76.1	178.6	167.4	0	0	0	0	0	112	P30 E31 Y41	P30-G35 PolarHBondContact O-N 3.43Å; E31-G35 WeakPolarHBondContact CA-O 3.18Å; G35-Y41 WeakPolarHBondContact CA-OH 3.29Å
36	Q	86.8	Confident	83.5	Confident	84 Å²	84	54.1 Å²	54.1	39%	0.393	29%	0.29	S	S	.	.			trans	-75.2	175.1	174.8	-53.4	-156.5	45.3	0	0	112.1	A40 Y41 E47	Q36-A40 HydrophobicContact CB-CB 4.04Å; Q36-Y41 HydrophobicContact CB-CD2 4.08Å; Q36-Y41 HydrophobicContact CB-CE2 3.7Å; Q36-Y41 HydrophobicContact CG-CE2 4.49Å; Q36-Y41 PolarHBondContact N-OH 2.86Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.26Å; Q36-E47 PolarHBondContact NE2-OE1 3.3Å; Q36-E47 PolarHBondContact NE2-OE2 3.18Å
37	S	87.7	Confident	83.4	Confident	42 Å²	42	53.1 Å²	53.1	29%	0.294	29%	0.285	S	S	.	.			trans	-65	149.9	167.1	78.5	0	0	0	0	110.2	E31 Q39 A40 Y41	E31-S37 VanDerWaalsContact OE1-CA 3.25Å; E31-S37 WeakPolarHBondContact OE1-CA 3.48Å; E31-S37 WeakPolarHBondContact OE1-CB 3.42Å; S37-Q39 PolarHBondContact O-N 2.84Å; S37-A40 PolarHBondContact O-N 3.02Å; S37-A40 WeakPolarHBondContact OG-CB 3.41Å; S37-A40 PolarHBondContact OG-N 3.1Å; S37-A40 VanDerWaalsContact OG-N 3.1Å; S37-Y41 VanDerWaalsContact O-CD2 3.26Å; S37-Y41 WeakPolarHBondContact O-CD2 3.23Å; S37-Y41 PolarHBondContact O-N 3.39Å
38	I	84.6	Confident	83.1	Confident	10 Å²	10	54 Å²	54	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-33	178.9	-43.3	171.3	0	0	0	110.8	G28 P30 Y41 L42 W51 L236 G239 A241	G28-I38 WeakPolarHBondContact O-CD1 3.28Å; P30-I38 HydrophobicContact CG-CG1 4.37Å; I38-Y41 PolarHBondContact O-N 2.97Å; I38-L42 HydrophobicContact CG2-CD1 4.24Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 3.26Å; I38-W51 HydrophobicContact CG2-CH2 4.22Å; I38-L236 HydrophobicContact CD1-CD2 4.29Å; I38-L236 HydrophobicContact CG2-CD2 3.76Å; I38-G239 WeakPolarHBondContact CD1-O 3.09Å; I38-A241 HydrophobicContact CD1-CB 4.06Å
39	Q	83.1	Confident	83.2	Confident	77 Å²	77	54 Å²	54	36%	0.36	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-41.6	177	-167.5	55.9	59.6	0	0	110.9	S37 Y41 L42 D43	S37-Q39 PolarHBondContact O-N 2.84Å; Q39-Y41 PolarHBondContact O-N 2.92Å; Q39-L42 PolarHBondContact O-N 2.76Å; Q39-D43 PolarHBondContact NE2-OD1 2.82Å; Q39-D43 WeakPolarHBondContact O-CB 3.48Å; Q39-D43 PolarHBondContact O-N 3.41Å
40	A	84.5	Confident	83.3	Confident	25 Å²	25	52 Å²	52	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-39	176.9	0	0	0	0	0	112.9	Q36 S37 L42 D43 N44	Q36-A40 HydrophobicContact CB-CB 4.04Å; S37-A40 PolarHBondContact O-N 3.02Å; S37-A40 WeakPolarHBondContact OG-CB 3.41Å; S37-A40 PolarHBondContact OG-N 3.1Å; S37-A40 VanDerWaalsContact OG-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.28Å; A40-L42 PolarHBondContact O-N 3.24Å; A40-D43 PolarHBondContact O-N 2.86Å; A40-N44 WeakPolarHBondContact O-CB 3.25Å; A40-N44 PolarHBondContact O-N 3.16Å
41	Y	81.4	Confident	83.5	Confident	18 Å²	18	51.9 Å²	51.9	7%	0.071	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-32.5	172	-74.7	-74.5	0	0	0	113.1	P30 G35 Q36 S37 I38 Q39 E47 L49 P50 K159	P30-Y41 HydrophobicContact CB-CE2 3.85Å; P30-Y41 HydrophobicContact CG-CD2 4.48Å; P30-Y41 HydrophobicContact CG-CE2 4.08Å; G35-Y41 WeakPolarHBondContact CA-OH 3.29Å; Q36-Y41 HydrophobicContact CB-CD2 4.08Å; Q36-Y41 HydrophobicContact CB-CE2 3.7Å; Q36-Y41 HydrophobicContact CG-CE2 4.49Å; Q36-Y41 PolarHBondContact N-OH 2.86Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.26Å; S37-Y41 VanDerWaalsContact O-CD2 3.26Å; S37-Y41 WeakPolarHBondContact O-CD2 3.23Å; S37-Y41 PolarHBondContact O-N 3.39Å; I38-Y41 PolarHBondContact O-N 2.97Å; Q39-Y41 PolarHBondContact O-N 2.92Å; Y41-E47 HydrophobicContact CD1-CB 3.78Å; Y41-E47 HydrophobicContact CE1-CB 4.29Å; Y41-L49 VanDerWaalsContact CB-CD2 3.42Å; Y41-L49 HydrophobicContact CD1-CD2 4.37Å; Y41-L49 HydrophobicContact CD2-CD2 4.14Å; Y41-L49 HydrophobicContact CG-CD2 3.76Å; Y41-P50 HydrophobicContact CE2-CG 4.41Å; Y41-K159 PolarHBondContact OH-O 2.85Å
42	L	79.8	Confident	83.8	Confident	31 Å²	31	47 Å²	47	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-85.2	-30.3	-179.6	-68.1	170	0	0	0	112.9	I38 Q39 A40 L49 F180 L236	I38-L42 HydrophobicContact CG2-CD1 4.24Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 3.26Å; Q39-L42 PolarHBondContact O-N 2.76Å; A40-L42 VanDerWaalsContact C-N 3.28Å; A40-L42 PolarHBondContact O-N 3.24Å; L42-L49 HydrophobicContact CD2-CD1 4.33Å; L42-F180 HydrophobicContact CD1-CD1 4.26Å; L42-F180 HydrophobicContact CD1-CE1 3.94Å; L42-F180 HydrophobicContact CD2-CD1 3.81Å; L42-F180 HydrophobicContact CD2-CE1 4Å; L42-F180 HydrophobicContact CD2-CG 4.1Å; L42-F180 HydrophobicContact CD2-CZ 4.44Å; L42-L236 HydrophobicContact CD1-CD1 3.79Å
43	D	80.8	Confident	84.1	Confident	113 Å²	113	41.9 Å²	41.9	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-73.4	-42.2	173.5	-63.2	-25.6	0	0	0	110.2	Q39 A40 K45	Q39-D43 PolarHBondContact NE2-OD1 2.82Å; Q39-D43 WeakPolarHBondContact O-CB 3.48Å; Q39-D43 PolarHBondContact O-N 3.41Å; A40-D43 PolarHBondContact O-N 2.86Å; D43-K45 PolarHBondContact O-N 3.49Å
44	N	78.7	Confident	84.4	Confident	69 Å²	69	40.5 Å²	40.5	37%	0.369	23%	0.23	S	C	.	.			trans	-88.1	85.9	175.4	-169.9	5	0	0	0	112.1	A40 S46 E47	A40-N44 WeakPolarHBondContact O-CB 3.25Å; A40-N44 PolarHBondContact O-N 3.16Å; N44-S46 PolarHBondContact O-N 2.89Å; N44-S46 WeakPolarHBondContact OD1-CB 3.38Å; N44-S46 PolarHBondContact OD1-N 3.37Å; N44-E47 PolarHBondContact ND2-OE1 3.38Å; N44-E47 PolarHBondContact O-N 3.3Å
45	K	65.4	Low	84.7	Confident	164 Å²	164	37.8 Å²	37.8	71%	0.713	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	4.4	171.9	-57.8	-173.2	-179.7	-176	0	116.2	D43	D43-K45 PolarHBondContact O-N 3.49Å
46	S	67.2	Low	84.9	Confident	59 Å²	59	38.6 Å²	38.6	41%	0.413	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.3	170.5	-86	0	0	0	0	115	N44 R188	N44-S46 PolarHBondContact O-N 2.89Å; N44-S46 WeakPolarHBondContact OD1-CB 3.38Å; N44-S46 PolarHBondContact OD1-N 3.37Å; S46-R188 PolarHBondContact O-NH2 2.73Å; S46-R188 PolarHBondContact OG-NH1 2.68Å; S46-R188 PolarHBondContact OG-NH2 3.19Å
47	E	76.1	Confident	84.9	Confident	53 Å²	53	35.1 Å²	35.1	25%	0.248	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-102.7	145.3	-176.4	-66.2	-175.6	-126.6	0	0	112.4	Q36 Y41 N44	Q36-E47 PolarHBondContact NE2-OE1 3.3Å; Q36-E47 PolarHBondContact NE2-OE2 3.18Å; Y41-E47 HydrophobicContact CD1-CB 3.78Å; Y41-E47 HydrophobicContact CE1-CB 4.29Å; N44-E47 PolarHBondContact ND2-OE1 3.38Å; N44-E47 PolarHBondContact O-N 3.3Å
48	V	84.1	Confident	84.4	Confident	23 Å²	23	39.7 Å²	39.7	14%	0.139	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-101.7	135.6	-177.4	179.2	0	0	0	0	108.4	T52 L189	V48-T52 HydrophobicContact CG1-CG2 4.49Å; V48-L189 HydrophobicContact CB-CB 4.41Å; V48-L189 HydrophobicContact CG1-CB 3.69Å; V48-L189 HydrophobicContact CG1-CD2 4.06Å; V48-L189 HydrophobicContact CG1-CG 4.5Å; V48-L189 HydrophobicContact CG2-CB 3.77Å; V48-L189 WeakPolarHBondContact CG2-O 3.24Å
49	L	90.8	Very high	83.8	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-68.1	136.5	-176.7	-74.5	165.8	0	0	0	111.2	Y41 L42 W51 T52 F180 E191	Y41-L49 VanDerWaalsContact CB-CD2 3.42Å; Y41-L49 HydrophobicContact CD1-CD2 4.37Å; Y41-L49 HydrophobicContact CD2-CD2 4.14Å; Y41-L49 HydrophobicContact CG-CD2 3.76Å; L42-L49 HydrophobicContact CD2-CD1 4.33Å; L49-W51 HydrophobicContact CB-CD2 4.4Å; L49-W51 HydrophobicContact CB-CZ2 4.01Å; L49-W51 HydrophobicContact CD1-CZ2 3.85Å; L49-W51 HydrophobicContact CD2-CH2 4.13Å; L49-W51 HydrophobicContact CD2-CZ2 3.86Å; L49-W51 HydrophobicContact CG-CZ2 4.14Å; L49-W51 PolarHBondContact O-N 2.73Å; L49-T52 VanDerWaalsContact O-CB 3.3Å; L49-T52 WeakPolarHBondContact O-CB 3.31Å; L49-T52 PolarHBondContact O-N 3.12Å; L49-T52 PolarHBondContact O-OG1 3.26Å; L49-F180 HydrophobicContact CD1-CD2 3.73Å; L49-F180 HydrophobicContact CD1-CE2 3.18Å; L49-F180 HydrophobicContact CD1-CZ 3.78Å; L49-E191 HydrophobicContact CB-CG 4.35Å; L49-E191 HydrophobicContact CD1-CB 4.34Å; L49-E191 HydrophobicContact CD1-CG 3.73Å; L49-E191 HydrophobicContact CG-CG 3.96Å
50	P	92.6	Very high	83.1	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.026	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5	-164.1	25.9	-35.1	0	0	0	115	P30 Y41 E160 V161 S162	P30-P50 HydrophobicContact CB-CG 3.81Å; P30-P50 HydrophobicContact CG-CG 3.69Å; Y41-P50 HydrophobicContact CE2-CG 4.41Å; P50-E160 WeakPolarHBondContact CA-O 3.05Å; P50-E160 WeakPolarHBondContact CB-O 3.13Å; P50-V161 CarbonylContact O-C 3.51Å; P50-V161 VanDerWaalsContact O-CA 3.3Å; P50-V161 WeakPolarHBondContact O-CA 3.26Å; P50-S162 CarbonylContact C-O 3.49Å; P50-S162 VanDerWaalsContact CG-OG 3.25Å; P50-S162 WeakPolarHBondContact CG-OG 3.46Å; P50-S162 PolarHBondContact O-N 3.07Å
51	W	94.2	Very high	82.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.4	168.6	43.6	73.1	0	0	0	113.7	P30 I38 L49 S67 I68 S162 V164 F180 V234 A241	P30-W51 HydrophobicContact CG-CH2 4.44Å; P30-W51 HydrophobicContact CG-CZ3 3.85Å; I38-W51 HydrophobicContact CG2-CH2 4.22Å; L49-W51 HydrophobicContact CB-CD2 4.4Å; L49-W51 HydrophobicContact CB-CZ2 4.01Å; L49-W51 HydrophobicContact CD1-CZ2 3.85Å; L49-W51 HydrophobicContact CD2-CH2 4.13Å; L49-W51 HydrophobicContact CD2-CZ2 3.86Å; L49-W51 HydrophobicContact CG-CZ2 4.14Å; L49-W51 PolarHBondContact O-N 2.73Å; W51-S67 CarbonylContact O-C 3.42Å; W51-S67 WeakPolarHBondContact O-CA 3.35Å; W51-I68 PolarHBondContact O-N 2.84Å; W51-S162 WeakPolarHBondContact CA-O 3.19Å; W51-S162 VanDerWaalsContact CB-O 3.29Å; W51-S162 WeakPolarHBondContact CB-O 3.45Å; W51-S162 PolarHBondContact N-O 3.12Å; W51-V164 HydrophobicContact CB-CB 3.96Å; W51-V164 HydrophobicContact CB-CG1 4.37Å; W51-V164 HydrophobicContact CD2-CB 3.73Å; W51-V164 HydrophobicContact CD2-CG2 4.12Å; W51-V164 HydrophobicContact CE3-CB 4.03Å; W51-V164 HydrophobicContact CE3-CG2 4.41Å; W51-V164 HydrophobicContact CG-CB 3.72Å; W51-V164 HydrophobicContact CG-CG1 4.38Å; W51-V164 HydrophobicContact CG-CG2 4.45Å; W51-F180 HydrophobicContact CZ2-CE2 4.12Å; W51-F180 HydrophobicContact CZ2-CZ 4.06Å; W51-V234 HydrophobicContact CZ2-CG1 4.21Å; W51-A241 HydrophobicContact CH2-CB 3.28Å; W51-A241 HydrophobicContact CZ2-CB 3.74Å; W51-A241 HydrophobicContact CZ3-CB 3.95Å
52	T	94.2	Very high	83	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.6	-173	-54.4	0	0	0	0	110.2	V48 L49 L65 S182 L189 E191	V48-T52 HydrophobicContact CG1-CG2 4.49Å; L49-T52 VanDerWaalsContact O-CB 3.3Å; L49-T52 WeakPolarHBondContact O-CB 3.31Å; L49-T52 PolarHBondContact O-N 3.12Å; L49-T52 PolarHBondContact O-OG1 3.26Å; T52-L65 HydrophobicContact CG2-CD2 4.32Å; T52-S182 VanDerWaalsContact CG2-CB 3.45Å; T52-S182 PolarHBondContact OG1-OG 2.82Å; T52-L189 HydrophobicContact CG2-CD2 3.87Å; T52-E191 PolarHBondContact OG1-OE1 3.25Å
53	V	94.7	Very high	83.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145	-177.7	-60	0	0	0	0	113.1	L65 G66 I68 I85 V108 F109 A110 F155	V53-L65 CarbonylContact O-C 3.56Å; V53-L65 VanDerWaalsContact O-C 3.31Å; V53-L65 VanDerWaalsContact O-CA 3.23Å; V53-L65 WeakPolarHBondContact O-CA 3.1Å; V53-G66 VanDerWaalsContact CG2-C 3.44Å; V53-G66 PolarHBondContact N-O 3.31Å; V53-G66 PolarHBondContact O-N 2.89Å; V53-I68 HydrophobicContact CG1-CD1 3.89Å; V53-I68 HydrophobicContact CG1-CG1 3.61Å; V53-I85 HydrophobicContact CG1-CD1 4.41Å; V53-I85 HydrophobicContact CG2-CD1 4.31Å; V53-I85 HydrophobicContact CG2-CG2 3.51Å; V53-V108 HydrophobicContact CB-CG1 3.83Å; V53-V108 HydrophobicContact CG1-CG1 4.47Å; V53-V108 HydrophobicContact CG2-CG1 3.77Å; V53-F109 CarbonylContact C-O 3.58Å; V53-F109 VanDerWaalsContact CA-O 3.23Å; V53-F109 WeakPolarHBondContact CA-O 3.32Å; V53-F109 WeakPolarHBondContact CB-O 3.34Å; V53-A110 HydrophobicContact CG1-CB 3.65Å; V53-F155 HydrophobicContact CG1-CE2 4.18Å
54	A	93.3	Very high	83.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128	175.7	0	0	0	0	0	111.4	V108 F109 L115 L189	A54-V108 CarbonylContact O-C 3.56Å; A54-V108 WeakPolarHBondContact O-CA 3.46Å; A54-F109 PolarHBondContact N-O 3.11Å; A54-F109 PolarHBondContact O-N 3.37Å; A54-L115 HydrophobicContact CB-CD1 3.98Å; A54-L115 HydrophobicContact CB-CD2 4.41Å; A54-L189 HydrophobicContact CB-CD2 4.45Å
55	I	93.3	Very high	84.7	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.3	174.7	-51	-174.2	0	0	0	108.8	K63 C64 T87 F92 Y106 V108	I55-K63 WeakPolarHBondContact O-CB 3.45Å; I55-K63 PolarHBondContact O-N 2.77Å; I55-C64 HydrophobicContact CB-CB 4.36Å; I55-C64 HydrophobicContact CD1-CB 4.4Å; I55-C64 PolarHBondContact N-O 3.15Å; I55-C64 PolarHBondContact O-N 3.42Å; I55-T87 HydrophobicContact CD1-CG2 3.71Å; I55-T87 WeakPolarHBondContact CD1-OG1 3.2Å; I55-F92 HydrophobicContact CD1-CZ 4.09Å; I55-F92 HydrophobicContact CG2-CE1 4.37Å; I55-Y106 HydrophobicContact CG2-CD1 4.35Å; I55-V108 HydrophobicContact CG1-CG1 4.49Å; I55-V108 HydrophobicContact CG1-CG2 4.3Å
56	R	88.7	Confident	86.1	Confident	33 Å²	33	35.1 Å²	35.1	13%	0.125	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.4	-178.9	-158	177.6	178.2	-158.7	-9.4	110.1	G60 S61 Y106 K107 F109 L115 R116 L117	R56-G60 PolarHBondContact NE-O 3.34Å; R56-G60 PolarHBondContact NH2-O 3.46Å; R56-G60 VanDerWaalsContact NH2-O 3.12Å; R56-S61 CarbonylContact C-O 3.57Å; R56-S61 WeakPolarHBondContact CA-O 3.43Å; R56-S61 VanDerWaalsContact CG-O 3.28Å; R56-S61 WeakPolarHBondContact CG-O 3.37Å; R56-Y106 CarbonylContact O-C 3.51Å; R56-Y106 WeakPolarHBondContact O-CA 3.4Å; R56-K107 PolarHBondContact N-O 3.46Å; R56-K107 PolarHBondContact O-N 3.09Å; R56-F109 HydrophobicContact CB-CD2 4.38Å; R56-F109 HydrophobicContact CB-CE2 3.91Å; R56-L115 HydrophobicContact CG-CD2 4.36Å; R56-R116 PolarHBondContact NH1-O 2.91Å; R56-L117 PolarHBondContact NH1-O 3.23Å; R56-L117 PolarHBondContact NH2-O 3.27Å
57	G	87.2	Confident	87.5	Confident	11 Å²	11	32.3 Å²	32.3	11%	0.113	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.7	166.4	0	0	0	0	0	110.5	F59 G60 S61	G57-F59 PolarHBondContact O-N 3.26Å; G57-G60 PolarHBondContact O-N 2.8Å; G57-S61 PolarHBondContact N-O 3.36Å
58	K	77.7	Confident	88.4	Confident	138 Å²	138	29.8 Å²	29.8	60%	0.6	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.2	-176.4	-171	164.8	-175.8	163.9	0	114	G60 S105	K58-G60 VanDerWaalsContact C-N 3.33Å; K58-S105 WeakPolarHBondContact CB-O 3.44Å; K58-S105 PolarHBondContact N-O 2.9Å
59	F	72.2	Confident	88.9	Confident	203 Å²	203	29 Å²	29	89%	0.89	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	28.7	174	-59.1	-72.5	0	0	0	113.7	G57 S61	G57-F59 PolarHBondContact O-N 3.26Å; F59-S61 PolarHBondContact O-N 3.37Å
60	G	67.3	Low	88.8	Confident	26 Å²	26	30.1 Å²	30.1	27%	0.268	15%	0.153	S	C	.	.	S	Bend	trans	95.6	-14.1	157.1	0	0	0	0	0	117.6	R56 G57 K58	R56-G60 PolarHBondContact NE-O 3.34Å; R56-G60 PolarHBondContact NH2-O 3.46Å; R56-G60 VanDerWaalsContact NH2-O 3.12Å; G57-G60 PolarHBondContact O-N 2.8Å; K58-G60 VanDerWaalsContact C-N 3.33Å
61	S	76.6	Confident	88.3	Confident	62 Å²	62	31.4 Å²	31.4	43%	0.434	16%	0.158	S	C	.	.			trans	-80	139	176.5	46.4	0	0	0	0	112.9	R56 G57 F59	R56-S61 CarbonylContact C-O 3.57Å; R56-S61 WeakPolarHBondContact CA-O 3.43Å; R56-S61 VanDerWaalsContact CG-O 3.28Å; R56-S61 WeakPolarHBondContact CG-O 3.37Å; G57-S61 PolarHBondContact N-O 3.36Å; F59-S61 PolarHBondContact O-N 3.37Å
62	F	87.1	Confident	87.2	Confident	39 Å²	39	35.1 Å²	35.1	17%	0.171	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	151	161.1	172.4	-96	0	0	0	110.1	C64 L65 L115 Y184	F62-C64 VanDerWaalsContact CE2-O 3.31Å; F62-C64 WeakPolarHBondContact CE2-O 3.35Å; F62-C64 VanDerWaalsContact CZ-C 3.44Å; F62-L65 HydrophobicContact CE2-CD2 4.13Å; F62-L65 HydrophobicContact CE2-CG 4.27Å; F62-L65 HydrophobicContact CZ-CD2 4.45Å; F62-L65 HydrophobicContact CZ-CG 4.11Å; F62-L115 HydrophobicContact CB-CD2 4.16Å; F62-L115 HydrophobicContact CD2-CD2 4.06Å; F62-Y184 HydrophobicContact CB-CE1 3.88Å; F62-Y184 AromaticContact CD1-CD1 3.76Å; F62-Y184 HydrophobicContact CD1-CD1 3.76Å; F62-Y184 AromaticContact CD1-CE1 3.77Å; F62-Y184 HydrophobicContact CD1-CE1 3.77Å; F62-Y184 AromaticContact CD2-CD1 3.79Å; F62-Y184 HydrophobicContact CD2-CD1 3.79Å; F62-Y184 HydrophobicContact CD2-CD2 4.25Å; F62-Y184 AromaticContact CD2-CE1 3.65Å; F62-Y184 HydrophobicContact CD2-CE1 3.65Å; F62-Y184 HydrophobicContact CD2-CE2 4.11Å; F62-Y184 HydrophobicContact CD2-CG 4.1Å; F62-Y184 AromaticContact CD2-CZ 3.8Å; F62-Y184 AromaticContact CE1-CD1 3.65Å; F62-Y184 HydrophobicContact CE1-CD1 3.65Å; F62-Y184 HydrophobicContact CE1-CE1 4.17Å; F62-Y184 HydrophobicContact CE1-CG 4.28Å; F62-Y184 AromaticContact CE2-CD1 3.68Å; F62-Y184 HydrophobicContact CE2-CD1 3.68Å; F62-Y184 AromaticContact CE2-CD2 3.99Å; F62-Y184 HydrophobicContact CE2-CD2 3.99Å; F62-Y184 HydrophobicContact CE2-CE1 4.05Å; F62-Y184 HydrophobicContact CE2-CE2 4.32Å; F62-Y184 AromaticContact CE2-CG 3.66Å; F62-Y184 HydrophobicContact CE2-CG 3.66Å; F62-Y184 AromaticContact CG-CD1 3.82Å; F62-Y184 HydrophobicContact CG-CD1 3.82Å; F62-Y184 AromaticContact CG-CE1 3.49Å; F62-Y184 HydrophobicContact CG-CE1 3.49Å; F62-Y184 VanDerWaalsContact CG-CE1 3.49Å; F62-Y184 AromaticContact CG-CZ 3.98Å; F62-Y184 AromaticContact CZ-CD1 3.6Å; F62-Y184 HydrophobicContact CZ-CD1 3.6Å; F62-Y184 HydrophobicContact CZ-CE1 4.28Å; F62-Y184 AromaticContact CZ-CG 3.75Å; F62-Y184 HydrophobicContact CZ-CG 3.75Å
63	K	88.7	Confident	85.5	Confident	81 Å²	81	37 Å²	37	35%	0.352	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-49.8	179.2	-72	-76.9	136.2	-93	0	112.1	I55 Y106	I55-K63 WeakPolarHBondContact O-CB 3.45Å; I55-K63 PolarHBondContact O-N 2.77Å; K63-Y106 HydrophobicContact CG-CE1 4.35Å
64	C	92.1	Very high	83.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	167	-175.8	-76.2	0	0	0	0	111.1	I55 F62 C91 L229	I55-C64 HydrophobicContact CB-CB 4.36Å; I55-C64 HydrophobicContact CD1-CB 4.4Å; I55-C64 PolarHBondContact N-O 3.15Å; I55-C64 PolarHBondContact O-N 3.42Å; F62-C64 VanDerWaalsContact CE2-O 3.31Å; F62-C64 WeakPolarHBondContact CE2-O 3.35Å; F62-C64 VanDerWaalsContact CZ-C 3.44Å; C64-C91 HydrophobicContact CB-CB 3.8Å; C64-C91 WeakPolarHBondContact CB-SG 3.23Å; C64-C91 WeakPolarHBondContact SG-CA 3.4Å; C64-C91 WeakPolarHBondContact SG-CB 3.33Å; C64-C91 CovalentContact SG-SG 2.01Å; C64-C91 PolarHBondContact SG-SG 3.01Å; C64-L229 CarbonylContact C-O 3.55Å; C64-L229 WeakPolarHBondContact CA-O 3.38Å; C64-L229 WeakPolarHBondContact CB-O 3.19Å
65	L	94.3	Very high	81.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-177.5	157.3	-67	171.5	0	0	0	111.4	T52 V53 F62 T87 S182 L189 L229 G230	T52-L65 HydrophobicContact CG2-CD2 4.32Å; V53-L65 CarbonylContact O-C 3.56Å; V53-L65 VanDerWaalsContact O-C 3.31Å; V53-L65 VanDerWaalsContact O-CA 3.23Å; V53-L65 WeakPolarHBondContact O-CA 3.1Å; F62-L65 HydrophobicContact CE2-CD2 4.13Å; F62-L65 HydrophobicContact CE2-CG 4.27Å; F62-L65 HydrophobicContact CZ-CD2 4.45Å; F62-L65 HydrophobicContact CZ-CG 4.11Å; L65-T87 PolarHBondContact O-OG1 3.06Å; L65-S182 VanDerWaalsContact CD1-C 3.45Å; L65-S182 WeakPolarHBondContact CD1-O 3.32Å; L65-L189 HydrophobicContact CD2-CD2 3.73Å; L65-L189 HydrophobicContact CD2-CG 4Å; L65-L229 PolarHBondContact N-O 2.62Å; L65-G230 CarbonylContact C-O 3.56Å; L65-G230 CarbonylContact O-C 3.12Å
66	G	95.5	Very high	79.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-178.1	177.3	0	0	0	0	0	110.9	V53 L86 G230	V53-G66 VanDerWaalsContact CG2-C 3.44Å; V53-G66 PolarHBondContact N-O 3.31Å; V53-G66 PolarHBondContact O-N 2.89Å; G66-L86 CarbonylContact C-O 3.57Å; G66-L86 VanDerWaalsContact CA-O 3.23Å; G66-L86 WeakPolarHBondContact CA-O 3.43Å; G66-G230 WeakPolarHBondContact CA-O 3.44Å
67	S	96.7	Very high	78.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137	-175.2	32.8	0	0	0	0	111.8	W51 I85 L86 Q243	W51-S67 CarbonylContact O-C 3.42Å; W51-S67 WeakPolarHBondContact O-CA 3.35Å; S67-I85 CarbonylContact O-C 3.54Å; S67-I85 VanDerWaalsContact O-CA 3.27Å; S67-I85 WeakPolarHBondContact O-CA 3.46Å; S67-L86 PolarHBondContact N-O 3.03Å; S67-L86 PolarHBondContact O-N 3.42Å; S67-L86 PolarHBondContact OG-O 2.65Å; S67-Q243 PolarHBondContact OG-NE2 2.98Å; S67-Q243 PolarHBondContact OG-OE1 3.46Å; S67-Q243 VanDerWaalsContact OG-OE1 3.14Å
68	I	95.8	Very high	77.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.1	169.2	-58.5	170.4	0	0	0	108.6	W51 V53 I85 A110 F155 F157 V161 P163 V164	W51-I68 PolarHBondContact O-N 2.84Å; V53-I68 HydrophobicContact CG1-CD1 3.89Å; V53-I68 HydrophobicContact CG1-CG1 3.61Å; I68-I85 HydrophobicContact CB-CD1 4.37Å; I68-I85 HydrophobicContact CG1-CD1 3.71Å; I68-A110 HydrophobicContact CD1-CB 3.94Å; I68-F155 HydrophobicContact CD1-CB 4.46Å; I68-F155 HydrophobicContact CD1-CD2 3.83Å; I68-F155 HydrophobicContact CG1-CD2 4.09Å; I68-F157 HydrophobicContact CG2-CE1 3.91Å; I68-F157 HydrophobicContact CG2-CZ 4.37Å; I68-V161 HydrophobicContact CD1-CG1 3.55Å; I68-P163 HydrophobicContact CG2-CB 4.09Å; I68-P163 CarbonylContact O-C 3.51Å; I68-P163 VanDerWaalsContact O-CA 3.31Å; I68-P163 WeakPolarHBondContact O-CA 3.42Å; I68-V164 PolarHBondContact O-N 3.02Å
69	I	93.4	Very high	76.9	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.1	174.9	71	170.5	0	0	0	109.7	S82 L84 L86 L148 V164 V166 L274	I69-S82 VanDerWaalsContact O-CB 3.24Å; I69-S82 WeakPolarHBondContact O-CB 3.48Å; I69-S82 PolarHBondContact O-OG 3.02Å; I69-L84 HydrophobicContact CD1-CB 4.09Å; I69-L84 HydrophobicContact CG1-CB 3.52Å; I69-L84 HydrophobicContact CG1-CD1 4.49Å; I69-L84 PolarHBondContact N-O 3.49Å; I69-L84 VanDerWaalsContact N-O 3.12Å; I69-L86 HydrophobicContact CD1-CB 4.43Å; I69-L86 HydrophobicContact CG2-CB 3.77Å; I69-L86 HydrophobicContact CG2-CD2 4.06Å; I69-L148 HydrophobicContact CD1-CD1 3.75Å; I69-V164 HydrophobicContact CG2-CG1 4.5Å; I69-V166 HydrophobicContact CB-CG2 3.65Å; I69-V166 HydrophobicContact CG2-CG2 3.41Å; I69-V166 VanDerWaalsContact CG2-CG2 3.41Å; I69-L274 HydrophobicContact CD1-CD2 4.13Å
70	P	88.9	Confident	77.6	Confident	26 Å²	26	57.1 Å²	57.1	17%	0.169	29%	0.293	C	S	.	.			trans	-66.9	141.1	-175.7	25.5	-34.6	0	0	0	112.9	C27 H78 P163 V164	C27-P70 HydrophobicContact CB-CG 4.27Å; P70-H78 VanDerWaalsContact CB-ND1 3.3Å; P70-H78 WeakPolarHBondContact CB-ND1 3.12Å; P70-P163 HydrophobicContact CB-CB 4.4Å; P70-V164 WeakPolarHBondContact CD-O 3.45Å
71	E	83	Confident	78.6	Confident	30 Å²	30	57.1 Å²	57.1	14%	0.14	29%	0.289	C	S	.	.			trans	-94.7	112.5	163.4	-173.1	-179.6	-102.3	0	0	107.5	R79 K83 L84	E71-R79 PolarHBondContact O-N 2.84Å; E71-R79 WeakPolarHBondContact OE2-CD 3.33Å; E71-R79 IonicContact OE2-CZ 2.87Å; E71-R79 IonicContact OE2-NE 3.69Å; E71-R79 IonicContact OE2-NH1 3.58Å; E71-R79 PolarHBondContact OE2-NH1 2.94Å; E71-K83 VanDerWaalsContact CD-NZ 3.31Å; E71-K83 IonicContact OE1-NZ 3.65Å; E71-K83 PolarHBondContact OE1-NZ 2.95Å; E71-K83 IonicContact OE2-NZ 2.63Å; E71-K83 PolarHBondContact OE2-NZ 3.07Å; E71-L84 HydrophobicContact CB-CD1 4.33Å
72	T	70.9	Confident	79.4	Confident	78 Å²	78	54.2 Å²	54.2	48%	0.479	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-75.1	144.5	170.3	47.1	0	0	0	0	110.5	R77	T72-R77 WeakPolarHBondContact CA-O 3.22Å
73	D	58.5	Low	79.7	Confident	43 Å²	43	54.7 Å²	54.7	23%	0.23	27%	0.271	C	S	.	.			trans	-82.1	-179.6	169.3	67.6	32.1	0	0	0	112.2	N75 G76 R77 R79	D73-N75 PolarHBondContact O-N 2.8Å; D73-N75 VanDerWaalsContact O-N 3.16Å; D73-N75 WeakPolarHBondContact OD1-CA 3.34Å; D73-N75 WeakPolarHBondContact OD1-CB 3.39Å; D73-N75 PolarHBondContact OD1-N 3.24Å; D73-G76 PolarHBondContact O-N 2.85Å; D73-G76 PolarHBondContact OD1-N 2.93Å; D73-R77 VanDerWaalsContact CG-O 3.31Å; D73-R77 PolarHBondContact N-O 2.99Å; D73-R77 PolarHBondContact OD1-N 2.95Å; D73-R77 WeakPolarHBondContact OD2-CB 3.34Å; D73-R79 HydrophobicContact CB-CG 4.32Å
74	F	48.2	Very low	79.9	Confident	202 Å²	202	52.5 Å²	52.5	89%	0.886	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.4	-178.6	-66	-77	0	0	0	113.9
75	N	47.8	Very low	80.1	Confident	153 Å²	153	52.5 Å²	52.5	82%	0.818	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	8.4	178.9	-61.8	22	0	0	0	111.3	D73 R77	D73-N75 PolarHBondContact O-N 2.8Å; D73-N75 VanDerWaalsContact O-N 3.16Å; D73-N75 WeakPolarHBondContact OD1-CA 3.34Å; D73-N75 WeakPolarHBondContact OD1-CB 3.39Å; D73-N75 PolarHBondContact OD1-N 3.24Å; N75-R77 PolarHBondContact O-N 3.47Å
76	G	57.5	Low	80.2	Confident	42 Å²	42	52.5 Å²	52.5	43%	0.433	26%	0.263	S	S	.	.	S	Bend	trans	77	-1.4	-177.8	0	0	0	0	0	114.7	D73	D73-G76 PolarHBondContact O-N 2.85Å; D73-G76 PolarHBondContact OD1-N 2.93Å
77	R	60.9	Low	80.2	Confident	173 Å²	173	52.5 Å²	52.5	65%	0.653	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-74.1	144.9	177.9	166.4	179.6	-73.2	-158.9	-1.9	109.9	T72 D73 N75	T72-R77 WeakPolarHBondContact CA-O 3.22Å; D73-R77 VanDerWaalsContact CG-O 3.31Å; D73-R77 PolarHBondContact N-O 2.99Å; D73-R77 PolarHBondContact OD1-N 2.95Å; D73-R77 WeakPolarHBondContact OD2-CB 3.34Å; N75-R77 PolarHBondContact O-N 3.47Å
78	H	65.7	Low	80.1	Confident	34 Å²	34	52.5 Å²	52.5	16%	0.157	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-74.2	132.8	175.8	-73	-121.5	0	0	0	110.1	S25 C27 P70	S25-H78 VanDerWaalsContact CB-NE2 3.29Å; S25-H78 WeakPolarHBondContact CB-NE2 3.48Å; C27-H78 VanDerWaalsContact SG-CE1 3.57Å; P70-H78 VanDerWaalsContact CB-ND1 3.3Å; P70-H78 WeakPolarHBondContact CB-ND1 3.12Å
79	R	74.6	Confident	79.9	Confident	98 Å²	98	52.5 Å²	52.5	37%	0.37	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-78	146.7	172.3	-70.4	-178.5	148.9	167	-0.1	111.2	E71 D73 S81 F157	E71-R79 PolarHBondContact O-N 2.84Å; E71-R79 WeakPolarHBondContact OE2-CD 3.33Å; E71-R79 IonicContact OE2-CZ 2.87Å; E71-R79 IonicContact OE2-NE 3.69Å; E71-R79 IonicContact OE2-NH1 3.58Å; E71-R79 PolarHBondContact OE2-NH1 2.94Å; D73-R79 HydrophobicContact CB-CG 4.32Å; R79-S81 VanDerWaalsContact CB-O 3.32Å; R79-S81 WeakPolarHBondContact CB-O 3.44Å; R79-S81 PolarHBondContact O-N 3.18Å; R79-F157 WeakPolarHBondContact O-CE2 3.47Å
80	N	85.7	Confident	79.7	Confident	106 Å²	106	52.9 Å²	52.9	57%	0.567	27%	0.266	S	S	*	.	S	Bend	trans	-71.5	22.5	171	-60.8	14.2	0	0	0	113.4	F157	N80-F157 PolarHBondContact O-N 2.87Å
81	S	89.2	Confident	79.8	Confident	27 Å²	27	52 Å²	52	19%	0.189	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	150.8	179.4	74.4	0	0	0	0	109.4	R79 F155	R79-S81 VanDerWaalsContact CB-O 3.32Å; R79-S81 WeakPolarHBondContact CB-O 3.44Å; R79-S81 PolarHBondContact O-N 3.18Å; S81-F155 CarbonylContact C-O 3.6Å; S81-F155 WeakPolarHBondContact CA-O 3.27Å; S81-F155 WeakPolarHBondContact CB-O 3.48Å
82	S	92	Very high	80.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.7	175.1	-178	0	0	0	0	113.5	I69 L84 P154 F155	I69-S82 VanDerWaalsContact O-CB 3.24Å; I69-S82 WeakPolarHBondContact O-CB 3.48Å; I69-S82 PolarHBondContact O-OG 3.02Å; S82-L84 PolarHBondContact OG-N 3.2Å; S82-P154 CarbonylContact O-C 3.53Å; S82-P154 WeakPolarHBondContact O-CA 3.37Å; S82-P154 WeakPolarHBondContact O-CB 3.44Å; S82-F155 PolarHBondContact N-O 2.97Å; S82-F155 PolarHBondContact O-N 2.91Å
83	K	93.4	Very high	80.8	Confident	49 Å²	49	49.8 Å²	49.8	21%	0.213	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-4.7	171.6	-54.6	-176.1	-158.6	78.3	0	112.6	E71 T150 L151 P154	E71-K83 VanDerWaalsContact CD-NZ 3.31Å; E71-K83 IonicContact OE1-NZ 3.65Å; E71-K83 PolarHBondContact OE1-NZ 2.95Å; E71-K83 IonicContact OE2-NZ 2.63Å; E71-K83 PolarHBondContact OE2-NZ 3.07Å; K83-T150 HydrophobicContact CB-CG2 4.39Å; K83-T150 CarbonylContact O-C 3.48Å; K83-T150 WeakPolarHBondContact O-CA 3.19Å; K83-L151 HydrophobicContact CB-CB 4.45Å; K83-L151 PolarHBondContact O-N 3Å; K83-P154 HydrophobicContact CG-CB 3.76Å
84	L	94.4	Very high	81.4	Confident	35 Å²	35	51.8 Å²	51.8	18%	0.183	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.6	-166.4	-59	-179.6	0	0	0	110.3	I69 E71 S82 L148	I69-L84 HydrophobicContact CD1-CB 4.09Å; I69-L84 HydrophobicContact CG1-CB 3.52Å; I69-L84 HydrophobicContact CG1-CD1 4.49Å; I69-L84 PolarHBondContact N-O 3.49Å; I69-L84 VanDerWaalsContact N-O 3.12Å; E71-L84 HydrophobicContact CB-CD1 4.33Å; S82-L84 PolarHBondContact OG-N 3.2Å; L84-L148 HydrophobicContact CB-CD1 4.3Å; L84-L148 HydrophobicContact CD2-CD1 4.5Å
85	I	96.5	Very high	82.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.6	176.5	-51.4	-62.7	0	0	0	109.1	V53 S67 I68 V108 V149 L151 F155	V53-I85 HydrophobicContact CG1-CD1 4.41Å; V53-I85 HydrophobicContact CG2-CD1 4.31Å; V53-I85 HydrophobicContact CG2-CG2 3.51Å; S67-I85 CarbonylContact O-C 3.54Å; S67-I85 VanDerWaalsContact O-CA 3.27Å; S67-I85 WeakPolarHBondContact O-CA 3.46Å; I68-I85 HydrophobicContact CB-CD1 4.37Å; I68-I85 HydrophobicContact CG1-CD1 3.71Å; I85-V108 HydrophobicContact CG1-CG1 4.35Å; I85-V149 HydrophobicContact CB-CB 4.19Å; I85-V149 PolarHBondContact N-O 3.31Å; I85-V149 PolarHBondContact O-N 3.5Å; I85-L151 HydrophobicContact CD1-CD1 4.14Å; I85-L151 HydrophobicContact CG1-CD1 3.88Å; I85-L151 HydrophobicContact CG1-CD2 4.37Å; I85-L151 HydrophobicContact CG1-CG 4.05Å; I85-F155 HydrophobicContact CD1-CD2 3.95Å; I85-F155 HydrophobicContact CD1-CE2 3.8Å
86	L	95.6	Very high	82.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.9	-180	-167.9	57.5	0	0	0	109.8	G66 S67 I69 I146 L148 V246 V270 V273	G66-L86 CarbonylContact C-O 3.57Å; G66-L86 VanDerWaalsContact CA-O 3.23Å; G66-L86 WeakPolarHBondContact CA-O 3.43Å; S67-L86 PolarHBondContact N-O 3.03Å; S67-L86 PolarHBondContact O-N 3.42Å; S67-L86 PolarHBondContact OG-O 2.65Å; I69-L86 HydrophobicContact CD1-CB 4.43Å; I69-L86 HydrophobicContact CG2-CB 3.77Å; I69-L86 HydrophobicContact CG2-CD2 4.06Å; L86-I146 HydrophobicContact CD1-CG2 3.66Å; L86-I146 HydrophobicContact CG-CG2 4.38Å; L86-L148 HydrophobicContact CD1-CD1 4.48Å; L86-V246 HydrophobicContact CD2-CG2 4.34Å; L86-V246 HydrophobicContact CG-CG2 3.84Å; L86-V270 HydrophobicContact CD2-CB 4Å; L86-V270 HydrophobicContact CD2-CG1 3.62Å; L86-V273 HydrophobicContact CD1-CG1 3.51Å
87	T	95.8	Very high	82.5	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-179.6	-168.9	-174.5	0	0	0	0	110.8	I55 L65 C91 F92 I146 A147 V149	I55-T87 HydrophobicContact CD1-CG2 3.71Å; I55-T87 WeakPolarHBondContact CD1-OG1 3.2Å; L65-T87 PolarHBondContact O-OG1 3.06Å; T87-C91 PolarHBondContact OG1-SG 3.44Å; T87-C91 VanDerWaalsContact OG1-SG 3.38Å; T87-F92 HydrophobicContact CG2-CE2 3.72Å; T87-F92 HydrophobicContact CG2-CZ 3.95Å; T87-I146 VanDerWaalsContact O-CG2 3.25Å; T87-I146 WeakPolarHBondContact O-CG2 2.92Å; T87-A147 HydrophobicContact CG2-CB 4.17Å; T87-A147 PolarHBondContact N-O 3.14Å; T87-A147 PolarHBondContact O-N 3.26Å; T87-A147 VanDerWaalsContact O-O 3.05Å; T87-V149 HydrophobicContact CG2-CG2 3.87Å
88	A	94	Very high	82.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	151.4	179.6	0	0	0	0	0	112.6	S90 C91 L229 V246 L248	A88-S90 VanDerWaalsContact C-N 3.31Å; A88-S90 PolarHBondContact O-N 2.79Å; A88-C91 WeakPolarHBondContact O-CB 3.5Å; A88-C91 PolarHBondContact O-SG 3.37Å; A88-L229 HydrophobicContact CB-CD1 3.98Å; A88-L229 HydrophobicContact CB-CG 4.31Å; A88-V246 HydrophobicContact CB-CG1 4.46Å; A88-L248 HydrophobicContact CB-CD2 3.47Å; A88-L248 VanDerWaalsContact CB-CD2 3.47Å
89	G	91.7	Very high	83	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-66.1	-33.7	172.4	0	0	0	0	0	113.2	C91 F92 G145	G89-C91 PolarHBondContact O-N 2.91Å; G89-C91 VanDerWaalsContact O-N 3.16Å; G89-F92 PolarHBondContact O-N 3.1Å; G89-F92 VanDerWaalsContact O-N 3.08Å; G89-G145 PolarHBondContact N-O 3.2Å
90	S	89.5	Confident	83.4	Confident	15 Å²	15	54.3 Å²	54.3	11%	0.105	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-60.4	-26.9	-177.6	-58.8	0	0	0	0	113	A88 F92 R93 N141 N144	A88-S90 VanDerWaalsContact C-N 3.31Å; A88-S90 PolarHBondContact O-N 2.79Å; S90-F92 PolarHBondContact O-N 3.37Å; S90-R93 PolarHBondContact O-N 3.46Å; S90-R93 VanDerWaalsContact O-N 3.11Å; S90-N141 PolarHBondContact OG-O 2.7Å; S90-N144 WeakPolarHBondContact OG-CB 3.08Å; S90-N144 PolarHBondContact OG-ND2 3.05Å
91	C	90.7	Very high	83.2	Confident	6 Å²	6	49.6 Å²	49.6	4%	0.041	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-52.1	-28.6	173.5	-51.8	0	0	0	0	114.1	C64 T87 A88 G89 Y106	C64-C91 HydrophobicContact CB-CB 3.8Å; C64-C91 WeakPolarHBondContact CB-SG 3.23Å; C64-C91 WeakPolarHBondContact SG-CA 3.4Å; C64-C91 WeakPolarHBondContact SG-CB 3.33Å; C64-C91 CovalentContact SG-SG 2.01Å; C64-C91 PolarHBondContact SG-SG 3.01Å; T87-C91 PolarHBondContact OG1-SG 3.44Å; T87-C91 VanDerWaalsContact OG1-SG 3.38Å; A88-C91 WeakPolarHBondContact O-CB 3.5Å; A88-C91 PolarHBondContact O-SG 3.37Å; G89-C91 PolarHBondContact O-N 2.91Å; G89-C91 VanDerWaalsContact O-N 3.16Å; C91-Y106 WeakPolarHBondContact O-CE1 3.41Å
92	F	91.1	Very high	83.1	Confident	1 Å²	1	52 Å²	52	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-106.8	3.3	-173.7	-52	-65.9	0	0	0	113.7	I55 T87 G89 S90 W100 G101 Y106 I130 I132 A147 V149 L287	I55-F92 HydrophobicContact CD1-CZ 4.09Å; I55-F92 HydrophobicContact CG2-CE1 4.37Å; T87-F92 HydrophobicContact CG2-CE2 3.72Å; T87-F92 HydrophobicContact CG2-CZ 3.95Å; G89-F92 PolarHBondContact O-N 3.1Å; G89-F92 VanDerWaalsContact O-N 3.08Å; S90-F92 PolarHBondContact O-N 3.37Å; F92-W100 HydrophobicContact CB-CE3 4.3Å; F92-W100 CarbonylContact O-C 3.52Å; F92-W100 WeakPolarHBondContact O-CA 3.2Å; F92-G101 PolarHBondContact O-N 3.1Å; F92-Y106 WeakPolarHBondContact CA-OH 3.11Å; F92-Y106 HydrophobicContact CD1-CD1 4.14Å; F92-Y106 AromaticContact CD1-CD2 3.89Å; F92-Y106 HydrophobicContact CD1-CD2 3.89Å; F92-Y106 HydrophobicContact CD1-CE1 4.01Å; F92-Y106 AromaticContact CD1-CE2 3.78Å; F92-Y106 HydrophobicContact CD1-CE2 3.78Å; F92-Y106 HydrophobicContact CD1-CG 4.09Å; F92-Y106 AromaticContact CD1-CZ 3.85Å; F92-Y106 HydrophobicContact CE1-CD1 4.24Å; F92-Y106 HydrophobicContact CE1-CD2 4.27Å; F92-Y106 HydrophobicContact CE1-CG 4.12Å; F92-Y106 PolarHBondContact O-OH 2.99Å; F92-I130 HydrophobicContact CB-CD1 4.48Å; F92-I130 HydrophobicContact CD1-CD1 3.5Å; F92-I130 HydrophobicContact CD2-CD1 4.34Å; F92-I130 HydrophobicContact CD2-CG2 3.75Å; F92-I130 HydrophobicContact CE1-CD1 3.76Å; F92-I130 HydrophobicContact CE1-CG1 4.44Å; F92-I130 HydrophobicContact CE2-CG2 3.81Å; F92-I130 HydrophobicContact CG-CD1 3.83Å; F92-I130 HydrophobicContact CG-CG2 4.28Å; F92-I130 HydrophobicContact CZ-CD1 4.29Å; F92-I130 HydrophobicContact CZ-CG2 4.4Å; F92-I132 HydrophobicContact CB-CD1 4.22Å; F92-I132 HydrophobicContact CD2-CD1 4.21Å; F92-A147 HydrophobicContact CD2-CB 4Å; F92-A147 HydrophobicContact CE2-CB 3.74Å; F92-V149 HydrophobicContact CE2-CG2 3.88Å; F92-V149 HydrophobicContact CZ-CG2 3.52Å; F92-L287 HydrophobicContact CB-CD1 4.19Å
93	R	84	Confident	82.9	Confident	62 Å²	62	52.7 Å²	52.7	23%	0.234	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123	179	-166.3	169	175	-177.4	-5.2	110.9	S90 V95 W100 N144	S90-R93 PolarHBondContact O-N 3.46Å; S90-R93 VanDerWaalsContact O-N 3.11Å; R93-V95 PolarHBondContact O-N 2.9Å; R93-W100 HydrophobicContact CB-CE3 4.01Å; R93-W100 HydrophobicContact CB-CH2 4.33Å; R93-W100 HydrophobicContact CB-CZ3 3.78Å; R93-W100 HydrophobicContact CG-CE3 4.49Å; R93-W100 HydrophobicContact CG-CZ3 4.39Å; R93-N144 WeakPolarHBondContact CD-OD1 3.48Å; R93-N144 PolarHBondContact NH1-OD1 3.01Å
94	H	71.9	Confident	82.6	Confident	85 Å²	85	53.3 Å²	53.3	39%	0.394	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	98	172.1	-67.5	-77.7	0	0	0	110	L96 K97 K98 R99	H94-L96 PolarHBondContact O-N 3.01Å; H94-K97 HydrophobicContact CB-CB 4.11Å; H94-K97 CarbonylContact O-C 3.52Å; H94-K97 PolarHBondContact O-N 2.87Å; H94-K98 PolarHBondContact O-N 2.91Å; H94-R99 WeakPolarHBondContact CB-O 3.09Å; H94-R99 PolarHBondContact N-O 3.05Å; H94-R99 PolarHBondContact O-N 3.49Å
95	V	62.1	Low	82.3	Confident	91 Å²	91	53 Å²	53	55%	0.552	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-42.8	-64.3	179.6	-176.9	0	0	0	0	112	R93 K97 K98	R93-V95 PolarHBondContact O-N 2.9Å; V95-K97 PolarHBondContact O-N 3.08Å; V95-K98 PolarHBondContact O-N 3.43Å
96	L	56.7	Low	82.1	Confident	179 Å²	179	53.4 Å²	53.4	94%	0.937	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.3	-10.7	-179.4	-66.6	175.3	0	0	0	116	H94	H94-L96 PolarHBondContact O-N 3.01Å
97	K	57.3	Low	81.9	Confident	153 Å²	153	57.1 Å²	57.1	67%	0.665	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-121.4	0.6	179.6	-67.9	-175.7	176.1	178.9	0	113.2	H94 V95 R99	H94-K97 HydrophobicContact CB-CB 4.11Å; H94-K97 CarbonylContact O-C 3.52Å; H94-K97 PolarHBondContact O-N 2.87Å; V95-K97 PolarHBondContact O-N 3.08Å; K97-R99 HydrophobicContact CB-CB 4.27Å; K97-R99 WeakPolarHBondContact O-CB 3.44Å; K97-R99 VanDerWaalsContact O-CG 3.22Å; K97-R99 WeakPolarHBondContact O-CG 3.39Å; K97-R99 PolarHBondContact O-N 2.9Å
98	K	65.1	Low	81.8	Confident	148 Å²	148	57.1 Å²	57.1	64%	0.643	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.8	41.3	-171.1	-62.1	-165.9	172.5	-164.1	0	113.3	H94 V95 E140	H94-K98 PolarHBondContact O-N 2.91Å; V95-K98 PolarHBondContact O-N 3.43Å; K98-E140 IonicContact NZ-OE1 2.62Å
99	R	72.7	Confident	81.8	Confident	108 Å²	108	58 Å²	58	41%	0.408	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.1	-170.4	-87.5	167.6	179.7	-171.3	-6.6	113.1	H94 K97 E508	H94-R99 WeakPolarHBondContact CB-O 3.09Å; H94-R99 PolarHBondContact N-O 3.05Å; H94-R99 PolarHBondContact O-N 3.49Å; K97-R99 HydrophobicContact CB-CB 4.27Å; K97-R99 WeakPolarHBondContact O-CB 3.44Å; K97-R99 VanDerWaalsContact O-CG 3.22Å; K97-R99 WeakPolarHBondContact O-CG 3.39Å; K97-R99 PolarHBondContact O-N 2.9Å; R99-E508 IonicContact CZ-OE1 2.99Å; R99-E508 IonicContact CZ-OE2 2.86Å; R99-E508 IonicContact NH1-OE1 2.75Å; R99-E508 PolarHBondContact NH1-OE1 2.78Å; R99-E508 IonicContact NH1-OE2 3.92Å; R99-E508 PolarHBondContact NH1-OE2 3.02Å; R99-E508 IonicContact NH2-OE1 2.78Å; R99-E508 IonicContact NH2-OE2 2.96Å; R99-E508 PolarHBondContact NH2-OE2 2.9Å
100	W	82.8	Confident	81.8	Confident	76 Å²	76	58 Å²	58	29%	0.288	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.8	168.2	-58.9	109.7	0	0	0	111.4	F92 R93 I132 N144 I285 L287	F92-W100 HydrophobicContact CB-CE3 4.3Å; F92-W100 CarbonylContact O-C 3.52Å; F92-W100 WeakPolarHBondContact O-CA 3.2Å; R93-W100 HydrophobicContact CB-CE3 4.01Å; R93-W100 HydrophobicContact CB-CH2 4.33Å; R93-W100 HydrophobicContact CB-CZ3 3.78Å; R93-W100 HydrophobicContact CG-CE3 4.49Å; R93-W100 HydrophobicContact CG-CZ3 4.39Å; W100-I132 HydrophobicContact CE3-CD1 3.82Å; W100-I132 HydrophobicContact CH2-CD1 4.06Å; W100-I132 HydrophobicContact CZ3-CD1 3.44Å; W100-I132 VanDerWaalsContact CZ3-CD1 3.44Å; W100-N144 HydrophobicContact CH2-CB 4.07Å; W100-N144 WeakPolarHBondContact CH2-OD1 3.14Å; W100-I285 HydrophobicContact CD2-CG2 4.49Å; W100-I285 HydrophobicContact CH2-CD1 4.29Å; W100-I285 HydrophobicContact CZ2-CD1 3.47Å; W100-I285 VanDerWaalsContact CZ2-CD1 3.47Å; W100-I285 HydrophobicContact CZ2-CG2 4.43Å; W100-L287 HydrophobicContact CB-CD1 4.08Å; W100-L287 HydrophobicContact CB-CD2 3.72Å; W100-L287 HydrophobicContact CD2-CD1 4.48Å; W100-L287 HydrophobicContact CE3-CD1 4.19Å; W100-L287 HydrophobicContact CG-CD1 4.46Å; W100-L287 HydrophobicContact CG-CD2 3.97Å
101	G	81.3	Confident	81.8	Confident	7 Å²	7	58.2 Å²	58.2	7%	0.072	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-78	161.1	169	0	0	0	0	0	112	F92	F92-G101 PolarHBondContact O-N 3.1Å
102	T	86.3	Confident	81.5	Confident	77 Å²	77	58.8 Å²	58.8	47%	0.472	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-79.3	150.1	172.2	56.9	0	0	0	0	110.7	S104 S105 Y106	T102-S104 WeakPolarHBondContact CB-OG 3.49Å; T102-S104 PolarHBondContact O-N 2.86Å; T102-S104 PolarHBondContact OG1-OG 3.13Å; T102-S105 PolarHBondContact N-OG 3.08Å; T102-S105 PolarHBondContact O-N 2.97Å; T102-S105 PolarHBondContact O-OG 2.04Å; T102-S105 PolarHBondContact OG1-N 3.49Å; T102-S105 PolarHBondContact OG1-OG 3.17Å; T102-Y106 WeakPolarHBondContact O-CD2 3.4Å; T102-Y106 WeakPolarHBondContact O-CE2 3.47Å
103	P	88.9	Confident	81	Confident	14 Å²	14	61.4 Å²	61.4	9%	0.091	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.5	172.2	-29.1	36.7	0	0	0	113.2	S105 Y106 P127 I130 L287	P103-S105 VanDerWaalsContact C-N 3.29Å; P103-S105 PolarHBondContact O-N 3.16Å; P103-Y106 PolarHBondContact O-N 3.12Å; P103-P127 HydrophobicContact CB-CB 3.83Å; P103-I130 HydrophobicContact CB-CD1 4.36Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.43Å; P103-L287 HydrophobicContact CG-CB 4.27Å; P103-L287 WeakPolarHBondContact CG-O 3.2Å
104	S	87.2	Confident	80.8	Confident	63 Å²	63	64.5 Å²	64.5	44%	0.441	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-70	-6.9	175.9	47.1	0	0	0	0	116.9	T102	T102-S104 WeakPolarHBondContact CB-OG 3.49Å; T102-S104 PolarHBondContact O-N 2.86Å; T102-S104 PolarHBondContact OG1-OG 3.13Å
105	S	87.6	Confident	81	Confident	29 Å²	29	60.9 Å²	60.9	20%	0.203	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-93.3	4.3	174.3	50	0	0	0	0	113.8	K58 T102 P103	K58-S105 WeakPolarHBondContact CB-O 3.44Å; K58-S105 PolarHBondContact N-O 2.9Å; T102-S105 PolarHBondContact N-OG 3.08Å; T102-S105 PolarHBondContact O-N 2.97Å; T102-S105 PolarHBondContact O-OG 2.04Å; T102-S105 PolarHBondContact OG1-N 3.49Å; T102-S105 PolarHBondContact OG1-OG 3.17Å; P103-S105 VanDerWaalsContact C-N 3.29Å; P103-S105 PolarHBondContact O-N 3.16Å
106	Y	91.7	Very high	81.4	Confident	8 Å²	8	61 Å²	61	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156.7	-179.5	-55.1	-88.6	0	0	0	111.3	I55 R56 K63 C91 F92 T102 P103 P127	I55-Y106 HydrophobicContact CG2-CD1 4.35Å; R56-Y106 CarbonylContact O-C 3.51Å; R56-Y106 WeakPolarHBondContact O-CA 3.4Å; K63-Y106 HydrophobicContact CG-CE1 4.35Å; C91-Y106 WeakPolarHBondContact O-CE1 3.41Å; F92-Y106 WeakPolarHBondContact CA-OH 3.11Å; F92-Y106 HydrophobicContact CD1-CD1 4.14Å; F92-Y106 AromaticContact CD1-CD2 3.89Å; F92-Y106 HydrophobicContact CD1-CD2 3.89Å; F92-Y106 HydrophobicContact CD1-CE1 4.01Å; F92-Y106 AromaticContact CD1-CE2 3.78Å; F92-Y106 HydrophobicContact CD1-CE2 3.78Å; F92-Y106 HydrophobicContact CD1-CG 4.09Å; F92-Y106 AromaticContact CD1-CZ 3.85Å; F92-Y106 HydrophobicContact CE1-CD1 4.24Å; F92-Y106 HydrophobicContact CE1-CD2 4.27Å; F92-Y106 HydrophobicContact CE1-CG 4.12Å; F92-Y106 PolarHBondContact O-OH 2.99Å; T102-Y106 WeakPolarHBondContact O-CD2 3.4Å; T102-Y106 WeakPolarHBondContact O-CE2 3.47Å; P103-Y106 PolarHBondContact O-N 3.12Å; Y106-P127 WeakPolarHBondContact O-CD 3.47Å
107	K	91.9	Very high	81.5	Confident	77 Å²	77	56.7 Å²	56.7	34%	0.335	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.5	171.8	-175.8	168.5	172.3	171.7	0	108.9	R56 F109 S124	R56-K107 PolarHBondContact N-O 3.46Å; R56-K107 PolarHBondContact O-N 3.09Å; K107-F109 HydrophobicContact CB-CE2 4.08Å; K107-F109 HydrophobicContact CD-CE1 4.33Å; K107-F109 HydrophobicContact CD-CE2 4.09Å; K107-F109 HydrophobicContact CD-CZ 3.69Å; K107-F109 HydrophobicContact CG-CD2 4.41Å; K107-F109 HydrophobicContact CG-CE2 3.75Å; K107-F109 HydrophobicContact CG-CZ 3.87Å; K107-S124 WeakPolarHBondContact CE-OG 3.48Å; K107-S124 PolarHBondContact NZ-OG 3.11Å
108	V	93.8	Very high	81.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.9	179.3	-172	0	0	0	0	108.8	V53 A54 I55 I85 S124 G125 P127 L151 F155	V53-V108 HydrophobicContact CB-CG1 3.83Å; V53-V108 HydrophobicContact CG1-CG1 4.47Å; V53-V108 HydrophobicContact CG2-CG1 3.77Å; A54-V108 CarbonylContact O-C 3.56Å; A54-V108 WeakPolarHBondContact O-CA 3.46Å; I55-V108 HydrophobicContact CG1-CG1 4.49Å; I55-V108 HydrophobicContact CG1-CG2 4.3Å; I85-V108 HydrophobicContact CG1-CG1 4.35Å; V108-S124 CarbonylContact O-C 3.46Å; V108-S124 VanDerWaalsContact O-CA 3.3Å; V108-S124 WeakPolarHBondContact O-CA 3.46Å; V108-G125 PolarHBondContact N-O 2.92Å; V108-G125 PolarHBondContact O-N 2.85Å; V108-P127 HydrophobicContact CG2-CG 4.29Å; V108-L151 HydrophobicContact CB-CD2 4.14Å; V108-L151 HydrophobicContact CG2-CD2 3.89Å; V108-F155 HydrophobicContact CB-CZ 4.27Å; V108-F155 HydrophobicContact CG1-CE2 4.02Å; V108-F155 HydrophobicContact CG1-CZ 4.07Å
109	F	92.8	Very high	81.4	Confident	18 Å²	18	58 Å²	58	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.2	178	-61.3	-100.8	0	0	0	110.8	V53 A54 R56 K107 L112 L115 N120 Q123 S124	V53-F109 CarbonylContact C-O 3.58Å; V53-F109 VanDerWaalsContact CA-O 3.23Å; V53-F109 WeakPolarHBondContact CA-O 3.32Å; V53-F109 WeakPolarHBondContact CB-O 3.34Å; A54-F109 PolarHBondContact N-O 3.11Å; A54-F109 PolarHBondContact O-N 3.37Å; R56-F109 HydrophobicContact CB-CD2 4.38Å; R56-F109 HydrophobicContact CB-CE2 3.91Å; K107-F109 HydrophobicContact CB-CE2 4.08Å; K107-F109 HydrophobicContact CD-CE1 4.33Å; K107-F109 HydrophobicContact CD-CE2 4.09Å; K107-F109 HydrophobicContact CD-CZ 3.69Å; K107-F109 HydrophobicContact CG-CD2 4.41Å; K107-F109 HydrophobicContact CG-CE2 3.75Å; K107-F109 HydrophobicContact CG-CZ 3.87Å; F109-L112 HydrophobicContact CB-CD1 3.58Å; F109-L112 HydrophobicContact CD1-CD1 4.24Å; F109-L112 HydrophobicContact CG-CD1 4.18Å; F109-L115 HydrophobicContact CD2-CD1 4.2Å; F109-L115 HydrophobicContact CG-CD1 4.44Å; F109-N120 HydrophobicContact CD1-CB 3.99Å; F109-N120 WeakPolarHBondContact CD1-ND2 3.48Å; F109-N120 HydrophobicContact CE1-CB 4.04Å; F109-N120 VanDerWaalsContact CE1-ND2 3.26Å; F109-N120 WeakPolarHBondContact CE1-ND2 3.39Å; F109-Q123 CarbonylContact C-O 3.6Å; F109-Q123 VanDerWaalsContact CA-O 3.32Å; F109-Q123 WeakPolarHBondContact CA-O 3.43Å; F109-S124 VanDerWaalsContact CD1-CB 3.45Å
110	A	92.6	Very high	80.9	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.1	-179.8	0	0	0	0	0	110.7	V53 I68 G122 Q123 F155 V161	V53-A110 HydrophobicContact CG1-CB 3.65Å; I68-A110 HydrophobicContact CD1-CB 3.94Å; A110-G122 CarbonylContact O-C 3.55Å; A110-G122 WeakPolarHBondContact O-CA 3.43Å; A110-Q123 PolarHBondContact N-O 2.99Å; A110-Q123 PolarHBondContact O-N 3.49Å; A110-F155 HydrophobicContact CB-CD1 4.35Å; A110-F155 HydrophobicContact CB-CD2 3.8Å; A110-F155 HydrophobicContact CB-CE1 4.26Å; A110-F155 HydrophobicContact CB-CE2 3.7Å; A110-F155 HydrophobicContact CB-CG 4.14Å; A110-F155 HydrophobicContact CB-CZ 3.94Å; A110-V161 HydrophobicContact CB-CG1 4.16Å; A110-V161 HydrophobicContact CB-CG2 4.14Å
111	G	88.6	Confident	80.3	Confident	18 Å²	18	57.7 Å²	57.7	19%	0.186	29%	0.29	C	S	.	.	S	Bend	trans	65.7	60	-178.4	0	0	0	0	0	112.1	G122 E160	G111-G122 VanDerWaalsContact O-CA 3.23Å; G111-G122 WeakPolarHBondContact O-CA 3.1Å; G111-E160 WeakPolarHBondContact CA-O 3.28Å
112	L	86	Confident	80.3	Confident	18 Å²	18	58.3 Å²	58.3	9%	0.094	30%	0.296	C	S	.	.			trans	-140.5	132.9	-179.6	-72.8	179.2	0	0	0	111	F109 L115 N120 G122	F109-L112 HydrophobicContact CB-CD1 3.58Å; F109-L112 HydrophobicContact CD1-CD1 4.24Å; F109-L112 HydrophobicContact CG-CD1 4.18Å; L112-L115 HydrophobicContact CD1-CD1 4.25Å; L112-N120 HydrophobicContact CD1-CB 3.9Å; L112-N120 HydrophobicContact CD2-CB 3.92Å; L112-G122 VanDerWaalsContact CD2-N 3.26Å
113	D	79.7	Confident	80.5	Confident	57 Å²	57	57 Å²	57	31%	0.305	29%	0.285	S	S	.	.	S	Bend	trans	-73.6	-41.5	166.4	79.6	-47.8	0	0	0	111.2	R188 L189	D113-R188 WeakPolarHBondContact O-CA 3.31Å; D113-R188 WeakPolarHBondContact O-CG 3.44Å; D113-L189 PolarHBondContact O-N 3.38Å
114	R	80.3	Confident	80.5	Confident	127 Å²	127	59.1 Å²	59.1	48%	0.479	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-137.7	136.3	-171.9	-69.3	166.5	-152.6	-135	-1.6	111.8	R116 R187 R188	R114-R116 PolarHBondContact O-N 3.46Å; R114-R116 VanDerWaalsContact O-N 3.11Å; R114-R187 CarbonylContact C-O 3.55Å; R114-R187 VanDerWaalsContact CA-O 3.23Å; R114-R187 WeakPolarHBondContact CA-O 3.46Å; R114-R188 HydrophobicContact CG-CB 4.42Å; R114-R188 HydrophobicContact CG-CG 4.15Å
115	L	76.2	Confident	80.7	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	28%	0.281	C	S	.	.			trans	-82.3	89.2	173.1	-166.7	71.8	0	0	0	110.4	A54 R56 F62 F109 L112 N120 Y184 R187	A54-L115 HydrophobicContact CB-CD1 3.98Å; A54-L115 HydrophobicContact CB-CD2 4.41Å; R56-L115 HydrophobicContact CG-CD2 4.36Å; F62-L115 HydrophobicContact CB-CD2 4.16Å; F62-L115 HydrophobicContact CD2-CD2 4.06Å; F109-L115 HydrophobicContact CD2-CD1 4.2Å; F109-L115 HydrophobicContact CG-CD1 4.44Å; L112-L115 HydrophobicContact CD1-CD1 4.25Å; L115-N120 WeakPolarHBondContact CD1-ND2 3.35Å; L115-Y184 HydrophobicContact CB-CE2 3.85Å; L115-Y184 HydrophobicContact CD2-CE2 4.4Å; L115-R187 PolarHBondContact N-O 3.08Å
116	R	70.1	Confident	80.9	Confident	93 Å²	93	58.5 Å²	58.5	35%	0.351	29%	0.288	S	S	.	.			trans	-71.2	157.2	176	-52.3	-174	-167.5	162.3	10.2	110.7	R56 R114 F118 N120 E121	R56-R116 PolarHBondContact NH1-O 2.91Å; R114-R116 PolarHBondContact O-N 3.46Å; R114-R116 VanDerWaalsContact O-N 3.11Å; R116-F118 VanDerWaalsContact C-N 3.35Å; R116-F118 VanDerWaalsContact CB-O 3.26Å; R116-F118 WeakPolarHBondContact CB-O 3.31Å; R116-N120 WeakPolarHBondContact CA-OD1 3.25Å; R116-N120 WeakPolarHBondContact CB-OD1 3.37Å; R116-N120 PolarHBondContact N-OD1 3.32Å; R116-N120 PolarHBondContact O-OD1 3.37Å; R116-N120 VanDerWaalsContact O-OD1 3.13Å; R116-E121 IonicContact CZ-OE1 2.99Å; R116-E121 IonicContact CZ-OE2 2.84Å; R116-E121 VanDerWaalsContact NH1-CD 3.3Å; R116-E121 IonicContact NH1-OE1 2.81Å; R116-E121 PolarHBondContact NH1-OE1 2.88Å; R116-E121 IonicContact NH1-OE2 3.25Å; R116-E121 VanDerWaalsContact NH2-CD 3.27Å; R116-E121 IonicContact NH2-OE1 2.69Å; R116-E121 PolarHBondContact NH2-OE1 3.29Å; R116-E121 IonicContact NH2-OE2 3.97Å; R116-E121 PolarHBondContact NH2-OE2 2.75Å
117	L	58.9	Low	81	Confident	90 Å²	90	58.2 Å²	58.2	47%	0.471	29%	0.287	S	S	.	.	S	Bend	trans	-69.2	-36.9	-179.8	-76.3	170.8	0	0	0	111.8	R56	R56-L117 PolarHBondContact NH1-O 3.23Å; R56-L117 PolarHBondContact NH2-O 3.27Å
118	F	59.5	Low	81	Confident	173 Å²	173	60.9 Å²	60.9	76%	0.759	30%	0.298	S	S	*	.	S	Bend	trans	-136.7	163.5	175.1	-50.5	-82.2	0	0	0	108	R116	R116-F118 VanDerWaalsContact C-N 3.35Å; R116-F118 VanDerWaalsContact CB-O 3.26Å; R116-F118 WeakPolarHBondContact CB-O 3.31Å
119	L	60.5	Low	80.9	Confident	155 Å²	155	60.9 Å²	60.9	81%	0.812	30%	0.298	S	S	*	.			trans	49.8	64.1	175.5	-60.5	173.3	0	0	0	113.5
120	N	62.3	Low	80.9	Confident	29 Å²	29	60 Å²	60	16%	0.155	29%	0.294	C	S	.	.			trans	-77.8	125.2	164.9	-75.9	-10.4	0	0	0	108.5	F109 L112 L115 R116 G122	F109-N120 HydrophobicContact CD1-CB 3.99Å; F109-N120 WeakPolarHBondContact CD1-ND2 3.48Å; F109-N120 HydrophobicContact CE1-CB 4.04Å; F109-N120 VanDerWaalsContact CE1-ND2 3.26Å; F109-N120 WeakPolarHBondContact CE1-ND2 3.39Å; L112-N120 HydrophobicContact CD1-CB 3.9Å; L112-N120 HydrophobicContact CD2-CB 3.92Å; L115-N120 WeakPolarHBondContact CD1-ND2 3.35Å; R116-N120 WeakPolarHBondContact CA-OD1 3.25Å; R116-N120 WeakPolarHBondContact CB-OD1 3.37Å; R116-N120 PolarHBondContact N-OD1 3.32Å; R116-N120 PolarHBondContact O-OD1 3.37Å; R116-N120 VanDerWaalsContact O-OD1 3.13Å; N120-G122 VanDerWaalsContact C-N 3.26Å; N120-G122 PolarHBondContact O-N 2.77Å
121	E	70.1	Confident	80.8	Confident	148 Å²	148	62.2 Å²	62.2	69%	0.692	30%	0.302	S	S	*	.			trans	-79.4	-2.8	-172.8	-74.9	157	-171.5	0	0	114.5	R116	R116-E121 IonicContact CZ-OE1 2.99Å; R116-E121 IonicContact CZ-OE2 2.84Å; R116-E121 VanDerWaalsContact NH1-CD 3.3Å; R116-E121 IonicContact NH1-OE1 2.81Å; R116-E121 PolarHBondContact NH1-OE1 2.88Å; R116-E121 IonicContact NH1-OE2 3.25Å; R116-E121 VanDerWaalsContact NH2-CD 3.27Å; R116-E121 IonicContact NH2-OE1 2.69Å; R116-E121 PolarHBondContact NH2-OE1 3.29Å; R116-E121 IonicContact NH2-OE2 3.97Å; R116-E121 PolarHBondContact NH2-OE2 2.75Å
122	G	81	Confident	80.8	Confident	20 Å²	20	61.3 Å²	61.3	21%	0.206	29%	0.294	C	S	.	.	S	Bend	trans	-101.9	174	-177.2	0	0	0	0	0	115.3	A110 G111 L112 N120	A110-G122 CarbonylContact O-C 3.55Å; A110-G122 WeakPolarHBondContact O-CA 3.43Å; G111-G122 VanDerWaalsContact O-CA 3.23Å; G111-G122 WeakPolarHBondContact O-CA 3.1Å; L112-G122 VanDerWaalsContact CD2-N 3.26Å; N120-G122 VanDerWaalsContact C-N 3.26Å; N120-G122 PolarHBondContact O-N 2.77Å
123	Q	90.5	Very high	80.9	Confident	51 Å²	51	61.9 Å²	61.9	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	147.3	179.4	-62.5	-175	47.3	0	0	111.5	F109 A110 F155 V156 V161	F109-Q123 CarbonylContact C-O 3.6Å; F109-Q123 VanDerWaalsContact CA-O 3.32Å; F109-Q123 WeakPolarHBondContact CA-O 3.43Å; A110-Q123 PolarHBondContact N-O 2.99Å; A110-Q123 PolarHBondContact O-N 3.49Å; Q123-F155 HydrophobicContact CB-CD1 3.69Å; Q123-F155 HydrophobicContact CB-CE1 3.97Å; Q123-V156 PolarHBondContact NE2-O 3.41Å; Q123-V161 HydrophobicContact CG-CG2 4.43Å
124	S	90.1	Very high	81	Confident	57 Å²	57	59.7 Å²	59.7	40%	0.399	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135	179.5	73.6	0	0	0	0	114.6	K107 V108 F109	K107-S124 WeakPolarHBondContact CE-OG 3.48Å; K107-S124 PolarHBondContact NZ-OG 3.11Å; V108-S124 CarbonylContact O-C 3.46Å; V108-S124 VanDerWaalsContact O-CA 3.3Å; V108-S124 WeakPolarHBondContact O-CA 3.46Å; F109-S124 VanDerWaalsContact CD1-CB 3.45Å
125	G	90.6	Very high	80.8	Confident	4 Å²	4	54.4 Å²	54.4	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.4	-170	0	0	0	0	0	112.4	V108	V108-G125 PolarHBondContact N-O 2.92Å; V108-G125 PolarHBondContact O-N 2.85Å
126	E	91.8	Very high	80.4	Confident	76 Å²	76	57.6 Å²	57.6	36%	0.355	28%	0.282	S	S	.	.			trans	-93	134.7	169.7	-66.8	-167.8	153.3	0	0	110.1	K128 L151 K152	E126-K128 PolarHBondContact O-N 3.06Å; E126-L151 WeakPolarHBondContact O-CA 3.13Å; E126-K152 HydrophobicContact CB-CD 3.98Å; E126-K152 HydrophobicContact CB-CG 4.45Å; E126-K152 WeakPolarHBondContact O-CG 3.18Å; E126-K152 PolarHBondContact O-N 3.24Å; E126-K152 IonicContact OE2-NZ 3.24Å; E126-K152 PolarHBondContact OE2-NZ 2.75Å
127	P	93.3	Very high	79.8	Confident	1 Å²	1	55 Å²	55	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	130.3	168.2	-28.1	38.7	0	0	0	112.4	P103 Y106 V108 I130 V149 K152	P103-P127 HydrophobicContact CB-CB 3.83Å; Y106-P127 WeakPolarHBondContact O-CD 3.47Å; V108-P127 HydrophobicContact CG2-CG 4.29Å; P127-I130 HydrophobicContact CB-CG1 4.45Å; P127-V149 HydrophobicContact CB-CG1 3.73Å; P127-V149 HydrophobicContact CG-CG1 3.84Å; P127-K152 WeakPolarHBondContact O-CE 3.38Å
128	K	92.4	Very high	79.3	Confident	134 Å²	134	51.4 Å²	51.4	58%	0.583	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	-43.5	165.1	-177.2	-177	175.5	-176.1	0	110.1	E126 T150 K152	E126-K128 PolarHBondContact O-N 3.06Å; K128-T150 WeakPolarHBondContact CA-O 3.41Å; K128-T150 WeakPolarHBondContact CB-O 3.42Å; K128-T150 PolarHBondContact N-O 2.95Å; K128-K152 HydrophobicContact CB-CG 3.81Å
129	G	91.6	Very high	79.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	162.6	178.4	0	0	0	0	0	111.7	T150 L287	G129-T150 PolarHBondContact N-O 2.88Å; G129-T150 PolarHBondContact O-N 2.88Å; G129-L287 CarbonylContact C-O 3.5Å; G129-L287 VanDerWaalsContact CA-O 3.22Å; G129-L287 WeakPolarHBondContact CA-O 3.41Å
130	I	92.4	Very high	79.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131	-178	-52.1	154.6	0	0	0	107.5	F92 P103 P127 I132 A147 L148 V149 E286 L287	F92-I130 HydrophobicContact CB-CD1 4.48Å; F92-I130 HydrophobicContact CD1-CD1 3.5Å; F92-I130 HydrophobicContact CD2-CD1 4.34Å; F92-I130 HydrophobicContact CD2-CG2 3.75Å; F92-I130 HydrophobicContact CE1-CD1 3.76Å; F92-I130 HydrophobicContact CE1-CG1 4.44Å; F92-I130 HydrophobicContact CE2-CG2 3.81Å; F92-I130 HydrophobicContact CG-CD1 3.83Å; F92-I130 HydrophobicContact CG-CG2 4.28Å; F92-I130 HydrophobicContact CZ-CD1 4.29Å; F92-I130 HydrophobicContact CZ-CG2 4.4Å; P103-I130 HydrophobicContact CB-CD1 4.36Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.43Å; P127-I130 HydrophobicContact CB-CG1 4.45Å; I130-I132 HydrophobicContact CG2-CD1 4.18Å; I130-I132 HydrophobicContact CG2-CG1 3.79Å; I130-A147 HydrophobicContact CG2-CB 4.04Å; I130-L148 WeakPolarHBondContact CA-O 3.25Å; I130-V149 HydrophobicContact CG1-CG1 4.15Å; I130-V149 HydrophobicContact CG1-CG2 4.32Å; I130-V149 HydrophobicContact CG2-CG2 4.23Å; I130-E286 WeakPolarHBondContact O-CA 3.38Å; I130-L287 HydrophobicContact CB-CB 4.21Å; I130-L287 HydrophobicContact CB-CD1 4.42Å; I130-L287 HydrophobicContact CD1-CB 4.48Å; I130-L287 HydrophobicContact CD1-CD1 4.2Å; I130-L287 PolarHBondContact N-O 3.16Å; I130-L287 PolarHBondContact O-N 2.91Å
131	R	90.7	Very high	79.2	Confident	47 Å²	47	44 Å²	44	18%	0.177	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.4	174.9	175.9	173.3	174	-134.5	2	108.2	A147 L148 D275 F284 E286 L289	R131-A147 WeakPolarHBondContact O-CA 3.48Å; R131-L148 PolarHBondContact N-O 3.02Å; R131-L148 PolarHBondContact O-N 3.21Å; R131-D275 PolarHBondContact NH2-O 3.44Å; R131-F284 HydrophobicContact CG-CB 4.24Å; R131-F284 HydrophobicContact CG-CD1 3.55Å; R131-F284 HydrophobicContact CG-CE1 4.25Å; R131-F284 HydrophobicContact CG-CG 4.15Å; R131-F284 VanDerWaalsContact CZ-CE1 3.5Å; R131-F284 VanDerWaalsContact NH2-CE1 3.34Å; R131-E286 HydrophobicContact CB-CG 4.35Å; R131-E286 HydrophobicContact CG-CG 4.2Å; R131-L289 HydrophobicContact CB-CD1 4.18Å
132	I	89.7	Confident	79.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.4	-173.1	-47.5	-176.7	0	0	0	109	F92 W100 I130 P134 N144 I146 A147 F284 I285 L287	F92-I132 HydrophobicContact CB-CD1 4.22Å; F92-I132 HydrophobicContact CD2-CD1 4.21Å; W100-I132 HydrophobicContact CE3-CD1 3.82Å; W100-I132 HydrophobicContact CH2-CD1 4.06Å; W100-I132 HydrophobicContact CZ3-CD1 3.44Å; W100-I132 VanDerWaalsContact CZ3-CD1 3.44Å; I130-I132 HydrophobicContact CG2-CD1 4.18Å; I130-I132 HydrophobicContact CG2-CG1 3.79Å; I132-P134 WeakPolarHBondContact O-CD 3.3Å; I132-N144 WeakPolarHBondContact CG2-O 2.97Å; I132-I146 WeakPolarHBondContact CA-O 3.47Å; I132-A147 HydrophobicContact CB-CB 4.46Å; I132-A147 HydrophobicContact CG1-CB 3.89Å; I132-A147 HydrophobicContact CG2-CB 4.42Å; I132-F284 CarbonylContact O-C 3.59Å; I132-F284 WeakPolarHBondContact O-CA 3.43Å; I132-I285 HydrophobicContact CB-CB 4.29Å; I132-I285 PolarHBondContact N-O 2.77Å; I132-I285 PolarHBondContact O-N 3.05Å; I132-L287 HydrophobicContact CD1-CD1 3.94Å
133	M	86.8	Confident	79	Confident	29 Å²	29	39.7 Å²	39.7	14%	0.143	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98.6	168	173.3	49	68.5	0	0	108.4	G145 I146 V273 F284	M133-G145 VanDerWaalsContact O-CA 3.3Å; M133-G145 WeakPolarHBondContact O-CA 3.43Å; M133-I146 PolarHBondContact N-O 3.24Å; M133-I146 PolarHBondContact O-N 3.05Å; M133-V273 HydrophobicContact CB-CB 4.17Å; M133-V273 HydrophobicContact CB-CG2 4.18Å; M133-F284 HydrophobicContact CB-CD1 4.09Å; M133-F284 HydrophobicContact CB-CE1 3.83Å; M133-F284 HydrophobicContact CE-CD1 3.87Å; M133-F284 HydrophobicContact CE-CD2 3.7Å; M133-F284 HydrophobicContact CE-CE1 3.6Å; M133-F284 HydrophobicContact CE-CE2 3.37Å; M133-F284 HydrophobicContact CE-CG 3.93Å; M133-F284 HydrophobicContact CE-CZ 3.31Å
134	P	83.3	Confident	78.6	Confident	11 Å²	11	37.5 Å²	37.5	7%	0.071	18%	0.182	C	C	.	.			trans	-72.3	139.6	178.1	32.5	-35	0	0	0	110.7	I132 N136 W143 G283 I285	I132-P134 WeakPolarHBondContact O-CD 3.3Å; P134-N136 VanDerWaalsContact C-N 3.33Å; P134-W143 CarbonylContact C-O 3.59Å; P134-W143 WeakPolarHBondContact CB-O 3.32Å; P134-G283 WeakPolarHBondContact CD-O 3.5Å; P134-I285 HydrophobicContact CB-CD1 4.4Å; P134-I285 HydrophobicContact CG-CD1 4.04Å; P134-I285 HydrophobicContact CG-CG1 4.29Å
135	Y	75.8	Confident	78.6	Confident	17 Å²	17	34.8 Å²	34.8	7%	0.067	16%	0.163	C	C	.	.			trans	-84.3	-9.3	174.8	-66.5	-20.2	0	0	0	113.3	R137 I142 W143 I146 T213 L248 F266 G268 H269 T272	Y135-R137 WeakPolarHBondContact O-CB 3.33Å; Y135-R137 PolarHBondContact O-N 2.94Å; Y135-R137 PolarHBondContact O-NE 3Å; Y135-I142 HydrophobicContact CD2-CG2 4.13Å; Y135-W143 PolarHBondContact N-O 2.86Å; Y135-I146 WeakPolarHBondContact OH-CD1 3.32Å; Y135-T213 HydrophobicContact CD1-CG2 3.92Å; Y135-T213 HydrophobicContact CD2-CG2 3.52Å; Y135-T213 HydrophobicContact CE1-CG2 3.88Å; Y135-T213 HydrophobicContact CE2-CG2 3.45Å; Y135-T213 VanDerWaalsContact CE2-CG2 3.45Å; Y135-T213 HydrophobicContact CG-CG2 3.73Å; Y135-L248 HydrophobicContact CD2-CD1 3.86Å; Y135-L248 HydrophobicContact CE2-CD1 3.51Å; Y135-F266 HydrophobicContact CD2-CE1 4.24Å; Y135-F266 HydrophobicContact CE2-CE1 4.06Å; Y135-F266 HydrophobicContact CE2-CZ 4.47Å; Y135-G268 WeakPolarHBondContact OH-CA 3.39Å; Y135-H269 PolarHBondContact OH-N 3.03Å; Y135-T272 HydrophobicContact CE1-CG2 3.9Å; Y135-T272 WeakPolarHBondContact OH-CG2 3.31Å; Y135-T272 PolarHBondContact OH-OG1 3.4Å
136	N	66.3	Low	78.6	Confident	75 Å²	75	34.6 Å²	34.6	40%	0.401	16%	0.161	S	C	.	.			trans	48.1	43.3	178.1	-65.1	-33.8	0	0	0	112.4	P134 W143 R1002	P134-N136 VanDerWaalsContact C-N 3.33Å; N136-W143 HydrophobicContact CB-CZ2 4.43Å; N136-W143 PolarHBondContact N-O 2.9Å; N136-W143 VanDerWaalsContact N-O 3.13Å; N136-R1002 PolarHBondContact O-NH1 2.68Å; N136-R1002 PolarHBondContact O-NH2 3.03Å
137	R	57.6	Low	78.7	Confident	37 Å²	37	31 Å²	31	14%	0.14	14%	0.144	C	C	.	.			trans	-134.6	143.5	-159.6	-125.5	175	-85.9	-130.9	5.9	111.7	Y135 N139 I142 W143 E209 K212 T213	Y135-R137 WeakPolarHBondContact O-CB 3.33Å; Y135-R137 PolarHBondContact O-N 2.94Å; Y135-R137 PolarHBondContact O-NE 3Å; R137-N139 PolarHBondContact O-N 2.78Å; R137-I142 HydrophobicContact CB-CG2 4.46Å; R137-W143 WeakPolarHBondContact O-CA 3.18Å; R137-W143 PolarHBondContact O-N 2.96Å; R137-E209 WeakPolarHBondContact CD-O 3.39Å; R137-E209 WeakPolarHBondContact CG-OE2 3.42Å; R137-E209 PolarHBondContact NH1-O 2.9Å; R137-K212 PolarHBondContact NH1-O 2.96Å; R137-K212 VanDerWaalsContact NH1-O 3.16Å; R137-K212 PolarHBondContact NH2-O 2.83Å; R137-T213 VanDerWaalsContact CZ-OG1 3.29Å; R137-T213 PolarHBondContact NH1-OG1 2.8Å
138	V	48.6	Very low	78.8	Confident	16 Å²	16	32 Å²	32	10%	0.097	15%	0.149	C	C	.	.	S	Bend	trans	32.8	-121.6	160.3	-77.9	0	0	0	0	113.9	I142 E209 L210 R1002 G1003	V138-I142 HydrophobicContact CG2-CD1 4.42Å; V138-I142 HydrophobicContact CG2-CG2 4.44Å; V138-E209 HydrophobicContact CG1-CB 4.01Å; V138-E209 HydrophobicContact CG1-CG 4.21Å; V138-L210 HydrophobicContact CG2-CD2 3.78Å; V138-R1002 CarbonylContact C-O 3.5Å; V138-R1002 VanDerWaalsContact CA-C 3.47Å; V138-R1002 WeakPolarHBondContact CA-O 3.33Å; V138-R1002 HydrophobicContact CB-CG 4.35Å; V138-R1002 HydrophobicContact CG1-CG 3.88Å; V138-G1003 VanDerWaalsContact CB-CA 3.49Å
139	N	60.1	Low	78.9	Confident	40 Å²	40	25.6 Å²	25.6	21%	0.214	12%	0.121	C	C	.	.	S	Bend	trans	-62.3	140.1	-167.5	-178.6	-32.1	0	0	0	111.5	R137 N141 I142 W143 S249 R1002	R137-N139 PolarHBondContact O-N 2.78Å; N139-N141 PolarHBondContact O-N 2.99Å; N139-N141 WeakPolarHBondContact OD1-CB 3.37Å; N139-N141 PolarHBondContact OD1-N 3.12Å; N139-I142 HydrophobicContact CB-CB 4.31Å; N139-I142 HydrophobicContact CB-CD1 4.11Å; N139-I142 HydrophobicContact CB-CG1 4.07Å; N139-I142 PolarHBondContact O-N 2.78Å; N139-W143 PolarHBondContact O-N 3.22Å; N139-S249 PolarHBondContact ND2-OG 3.18Å; N139-R1002 WeakPolarHBondContact CA-O 3.24Å; N139-R1002 PolarHBondContact N-O 2.96Å
140	E	58.3	Low	79.1	Confident	95 Å²	95	27.3 Å²	27.3	44%	0.444	13%	0.131	S	C	.	.	H	α-helix	trans	-52.9	-28	176.9	-72	-151.7	155.1	0	0	112.7	K98 N144	K98-E140 IonicContact NZ-OE1 2.62Å; E140-N144 PolarHBondContact O-ND2 3.07Å
141	N	62.3	Low	79.2	Confident	65 Å²	65	27.3 Å²	27.3	35%	0.348	13%	0.132	S	C	.	.	H	α-helix	trans	-73.6	-37.3	174.7	-66	-21.5	0	0	0	113.4	S90 N139	S90-N141 PolarHBondContact OG-O 2.7Å; N139-N141 PolarHBondContact O-N 2.99Å; N139-N141 WeakPolarHBondContact OD1-CB 3.37Å; N139-N141 PolarHBondContact OD1-N 3.12Å
142	I	73.2	Confident	79.3	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-81.9	-31.6	178.4	-60.4	177.5	0	0	0	111.1	Y135 R137 V138 N139 N144 G145 L210 L251 F266	Y135-I142 HydrophobicContact CD2-CG2 4.13Å; R137-I142 HydrophobicContact CB-CG2 4.46Å; V138-I142 HydrophobicContact CG2-CD1 4.42Å; V138-I142 HydrophobicContact CG2-CG2 4.44Å; N139-I142 HydrophobicContact CB-CB 4.31Å; N139-I142 HydrophobicContact CB-CD1 4.11Å; N139-I142 HydrophobicContact CB-CG1 4.07Å; N139-I142 PolarHBondContact O-N 2.78Å; I142-N144 PolarHBondContact O-N 3.06Å; I142-G145 PolarHBondContact O-N 3.44Å; I142-L210 HydrophobicContact CD1-CD2 4.37Å; I142-L210 HydrophobicContact CG2-CD2 4.39Å; I142-L251 HydrophobicContact CD1-CD2 4.01Å; I142-F266 HydrophobicContact CD1-CB 4.42Å; I142-F266 HydrophobicContact CD1-CD1 3.95Å; I142-F266 HydrophobicContact CD1-CE1 4.5Å; I142-F266 HydrophobicContact CD1-CG 4.19Å; I142-F266 HydrophobicContact CG1-CD1 4.08Å; I142-F266 HydrophobicContact CG2-CD1 4.14Å; I142-F266 HydrophobicContact CG2-CE1 3.79Å
143	W	72.8	Confident	79.4	Confident	78 Å²	78	38.2 Å²	38.2	30%	0.295	18%	0.18	S	C	.	.	H	α-helix	trans	-45.2	-43.6	-175.9	-176.4	-73.7	0	0	0	113.5	P134 Y135 N136 R137 N139 G145	P134-W143 CarbonylContact C-O 3.59Å; P134-W143 WeakPolarHBondContact CB-O 3.32Å; Y135-W143 PolarHBondContact N-O 2.86Å; N136-W143 HydrophobicContact CB-CZ2 4.43Å; N136-W143 PolarHBondContact N-O 2.9Å; N136-W143 VanDerWaalsContact N-O 3.13Å; R137-W143 WeakPolarHBondContact O-CA 3.18Å; R137-W143 PolarHBondContact O-N 2.96Å; N139-W143 PolarHBondContact O-N 3.22Å; W143-G145 VanDerWaalsContact C-N 3.28Å; W143-G145 PolarHBondContact O-N 2.01Å
144	N	83.8	Confident	79.6	Confident	5 Å²	5	39 Å²	39	3%	0.027	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.7	-173.3	-49.3	-62.5	0	0	0	113.5	S90 R93 W100 I132 E140 I142	S90-N144 WeakPolarHBondContact OG-CB 3.08Å; S90-N144 PolarHBondContact OG-ND2 3.05Å; R93-N144 WeakPolarHBondContact CD-OD1 3.48Å; R93-N144 PolarHBondContact NH1-OD1 3.01Å; W100-N144 HydrophobicContact CH2-CB 4.07Å; W100-N144 WeakPolarHBondContact CH2-OD1 3.14Å; I132-N144 WeakPolarHBondContact CG2-O 2.97Å; E140-N144 PolarHBondContact O-ND2 3.07Å; I142-N144 PolarHBondContact O-N 3.06Å
145	G	88.4	Confident	80.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.			trans	54.9	-141.1	175.8	0	0	0	0	0	113.9	G89 M133 I142 W143 L248	G89-G145 PolarHBondContact N-O 3.2Å; M133-G145 VanDerWaalsContact O-CA 3.3Å; M133-G145 WeakPolarHBondContact O-CA 3.43Å; I142-G145 PolarHBondContact O-N 3.44Å; W143-G145 VanDerWaalsContact C-N 3.28Å; W143-G145 PolarHBondContact O-N 2.01Å; G145-L248 VanDerWaalsContact O-CD2 3.29Å; G145-L248 WeakPolarHBondContact O-CD2 3.36Å
146	I	92.3	Very high	80.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.5	-176.4	-45.9	-179	0	0	0	110.8	L86 T87 I132 M133 Y135 V246 G268 H269 T272 V273	L86-I146 HydrophobicContact CD1-CG2 3.66Å; L86-I146 HydrophobicContact CG-CG2 4.38Å; T87-I146 VanDerWaalsContact O-CG2 3.25Å; T87-I146 WeakPolarHBondContact O-CG2 2.92Å; I132-I146 WeakPolarHBondContact CA-O 3.47Å; M133-I146 PolarHBondContact N-O 3.24Å; M133-I146 PolarHBondContact O-N 3.05Å; Y135-I146 WeakPolarHBondContact OH-CD1 3.32Å; I146-V246 HydrophobicContact CG2-CB 4.24Å; I146-V246 HydrophobicContact CG2-CG2 3.89Å; I146-G268 VanDerWaalsContact CD1-C 3.45Å; I146-G268 VanDerWaalsContact CD1-O 3.29Å; I146-G268 WeakPolarHBondContact CD1-O 3.2Å; I146-H269 WeakPolarHBondContact CD1-O 3.43Å; I146-T272 WeakPolarHBondContact CD1-OG1 3.47Å; I146-V273 HydrophobicContact CB-CB 4.13Å; I146-V273 HydrophobicContact CB-CG1 4.07Å; I146-V273 HydrophobicContact CG2-CB 4.3Å; I146-V273 HydrophobicContact CG2-CG1 3.71Å
147	A	93.8	Very high	82.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.9	172.4	0	0	0	0	0	112.8	T87 F92 I130 R131 I132	T87-A147 HydrophobicContact CG2-CB 4.17Å; T87-A147 PolarHBondContact N-O 3.14Å; T87-A147 PolarHBondContact O-N 3.26Å; T87-A147 VanDerWaalsContact O-O 3.05Å; F92-A147 HydrophobicContact CD2-CB 4Å; F92-A147 HydrophobicContact CE2-CB 3.74Å; I130-A147 HydrophobicContact CG2-CB 4.04Å; R131-A147 WeakPolarHBondContact O-CA 3.48Å; I132-A147 HydrophobicContact CB-CB 4.46Å; I132-A147 HydrophobicContact CG1-CB 3.89Å; I132-A147 HydrophobicContact CG2-CB 4.42Å
148	L	94.5	Very high	83.6	Confident	22 Å²	22	40 Å²	40	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.1	165	-179.7	66.8	0	0	0	109	I69 L84 L86 I130 R131 V273 L274	I69-L148 HydrophobicContact CD1-CD1 3.75Å; L84-L148 HydrophobicContact CB-CD1 4.3Å; L84-L148 HydrophobicContact CD2-CD1 4.5Å; L86-L148 HydrophobicContact CD1-CD1 4.48Å; I130-L148 WeakPolarHBondContact CA-O 3.25Å; R131-L148 PolarHBondContact N-O 3.02Å; R131-L148 PolarHBondContact O-N 3.21Å; L148-V273 HydrophobicContact CB-CG1 4.49Å; L148-V273 HydrophobicContact CB-CG2 4.04Å; L148-L274 HydrophobicContact CD2-CD2 4.27Å
149	V	95.3	Very high	85.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.3	177.5	-172.7	0	0	0	0	109.3	I85 T87 F92 P127 I130 L151	I85-V149 HydrophobicContact CB-CB 4.19Å; I85-V149 PolarHBondContact N-O 3.31Å; I85-V149 PolarHBondContact O-N 3.5Å; T87-V149 HydrophobicContact CG2-CG2 3.87Å; F92-V149 HydrophobicContact CE2-CG2 3.88Å; F92-V149 HydrophobicContact CZ-CG2 3.52Å; P127-V149 HydrophobicContact CB-CG1 3.73Å; P127-V149 HydrophobicContact CG-CG1 3.84Å; I130-V149 HydrophobicContact CG1-CG1 4.15Å; I130-V149 HydrophobicContact CG1-CG2 4.32Å; I130-V149 HydrophobicContact CG2-CG2 4.23Å; V149-L151 HydrophobicContact CG1-CD2 4.41Å
150	T	95.3	Very high	86.8	Confident	35 Å²	35	47.3 Å²	47.3	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.6	168.7	-53.7	0	0	0	0	109.3	K83 K128 G129	K83-T150 HydrophobicContact CB-CG2 4.39Å; K83-T150 CarbonylContact O-C 3.48Å; K83-T150 WeakPolarHBondContact O-CA 3.19Å; K128-T150 WeakPolarHBondContact CA-O 3.41Å; K128-T150 WeakPolarHBondContact CB-O 3.42Å; K128-T150 PolarHBondContact N-O 2.95Å; G129-T150 PolarHBondContact N-O 2.88Å; G129-T150 PolarHBondContact O-N 2.88Å
151	L	94.6	Very high	88.4	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	155.3	176.7	-59.7	177.5	0	0	0	112.5	K83 I85 V108 E126 V149 K153 F155	K83-L151 HydrophobicContact CB-CB 4.45Å; K83-L151 PolarHBondContact O-N 3Å; I85-L151 HydrophobicContact CD1-CD1 4.14Å; I85-L151 HydrophobicContact CG1-CD1 3.88Å; I85-L151 HydrophobicContact CG1-CD2 4.37Å; I85-L151 HydrophobicContact CG1-CG 4.05Å; V108-L151 HydrophobicContact CB-CD2 4.14Å; V108-L151 HydrophobicContact CG2-CD2 3.89Å; E126-L151 WeakPolarHBondContact O-CA 3.13Å; V149-L151 HydrophobicContact CG1-CD2 4.41Å; L151-K153 WeakPolarHBondContact CB-O 3.47Å; L151-F155 HydrophobicContact CD1-CD2 3.83Å; L151-F155 HydrophobicContact CD1-CE1 4.29Å; L151-F155 HydrophobicContact CD1-CE2 3.57Å; L151-F155 HydrophobicContact CD1-CG 4.31Å; L151-F155 HydrophobicContact CD1-CZ 3.83Å
152	K	92.3	Very high	89.9	Confident	110 Å²	110	39.8 Å²	39.8	48%	0.478	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-41.4	174.6	-66.7	-179.5	-168	174.3	0	112.7	E126 P127 K128	E126-K152 HydrophobicContact CB-CD 3.98Å; E126-K152 HydrophobicContact CB-CG 4.45Å; E126-K152 WeakPolarHBondContact O-CG 3.18Å; E126-K152 PolarHBondContact O-N 3.24Å; E126-K152 IonicContact OE2-NZ 3.24Å; E126-K152 PolarHBondContact OE2-NZ 2.75Å; P127-K152 WeakPolarHBondContact O-CE 3.38Å; K128-K152 HydrophobicContact CB-CG 3.81Å
153	K	91.7	Very high	90.9	Very high	165 Å²	165	39.8 Å²	39.8	72%	0.717	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116	144.2	172.3	-66	-173.2	176.6	-172.2	0	107.9	L151	L151-K153 WeakPolarHBondContact CB-O 3.47Å
154	P	92.2	Very high	91.9	Very high	47 Å²	47	36 Å²	36	31%	0.305	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	157	172.9	32.8	-35.4	0	0	0	110.9	S82 K83	S82-P154 CarbonylContact O-C 3.53Å; S82-P154 WeakPolarHBondContact O-CA 3.37Å; S82-P154 WeakPolarHBondContact O-CB 3.44Å; K83-P154 HydrophobicContact CG-CB 3.76Å
155	F	93.2	Very high	92.3	Very high	4 Å²	4	36 Å²	36	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132	155.8	-65.1	-42.2	0	0	0	108.8	V53 I68 S81 S82 I85 V108 A110 Q123 L151 V161	V53-F155 HydrophobicContact CG1-CE2 4.18Å; I68-F155 HydrophobicContact CD1-CB 4.46Å; I68-F155 HydrophobicContact CD1-CD2 3.83Å; I68-F155 HydrophobicContact CG1-CD2 4.09Å; S81-F155 CarbonylContact C-O 3.6Å; S81-F155 WeakPolarHBondContact CA-O 3.27Å; S81-F155 WeakPolarHBondContact CB-O 3.48Å; S82-F155 PolarHBondContact N-O 2.97Å; S82-F155 PolarHBondContact O-N 2.91Å; I85-F155 HydrophobicContact CD1-CD2 3.95Å; I85-F155 HydrophobicContact CD1-CE2 3.8Å; V108-F155 HydrophobicContact CB-CZ 4.27Å; V108-F155 HydrophobicContact CG1-CE2 4.02Å; V108-F155 HydrophobicContact CG1-CZ 4.07Å; A110-F155 HydrophobicContact CB-CD1 4.35Å; A110-F155 HydrophobicContact CB-CD2 3.8Å; A110-F155 HydrophobicContact CB-CE1 4.26Å; A110-F155 HydrophobicContact CB-CE2 3.7Å; A110-F155 HydrophobicContact CB-CG 4.14Å; A110-F155 HydrophobicContact CB-CZ 3.94Å; Q123-F155 HydrophobicContact CB-CD1 3.69Å; Q123-F155 HydrophobicContact CB-CE1 3.97Å; L151-F155 HydrophobicContact CD1-CD2 3.83Å; L151-F155 HydrophobicContact CD1-CE1 4.29Å; L151-F155 HydrophobicContact CD1-CE2 3.57Å; L151-F155 HydrophobicContact CD1-CG 4.31Å; L151-F155 HydrophobicContact CD1-CZ 3.83Å; F155-V161 HydrophobicContact CB-CG1 4.06Å
156	V	91.7	Very high	92.4	Very high	86 Å²	86	37.6 Å²	37.6	52%	0.521	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.2	177.5	-179.4	0	0	0	0	108.5	Q123	Q123-V156 PolarHBondContact NE2-O 3.41Å
157	F	91.3	Very high	91.9	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.083	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-83.4	136.8	-177	-54	-27.2	0	0	0	112.5	Y33 I68 R79 N80 V161 P163	Y33-F157 HydrophobicContact CD1-CB 3.55Å; Y33-F157 HydrophobicContact CD1-CD2 4.38Å; Y33-F157 HydrophobicContact CD1-CG 4.45Å; Y33-F157 HydrophobicContact CE1-CB 3.8Å; Y33-F157 AromaticContact CE1-CD2 3.74Å; Y33-F157 HydrophobicContact CE1-CD2 3.74Å; Y33-F157 HydrophobicContact CE1-CG 4.26Å; Y33-F157 HydrophobicContact CE2-CD2 4.35Å; Y33-F157 HydrophobicContact CG-CB 3.94Å; Y33-F157 AromaticContact CZ-CD2 3.71Å; I68-F157 HydrophobicContact CG2-CE1 3.91Å; I68-F157 HydrophobicContact CG2-CZ 4.37Å; R79-F157 WeakPolarHBondContact O-CE2 3.47Å; N80-F157 PolarHBondContact O-N 2.87Å; F157-V161 CarbonylContact C-O 3.51Å; F157-V161 WeakPolarHBondContact CA-O 3.36Å; F157-V161 WeakPolarHBondContact CB-O 3.43Å; F157-V161 HydrophobicContact CD1-CG1 4.49Å; F157-P163 HydrophobicContact CD2-CG 4.06Å; F157-P163 HydrophobicContact CE1-CB 4.3Å; F157-P163 HydrophobicContact CE1-CG 4.28Å; F157-P163 HydrophobicContact CE2-CB 4.15Å; F157-P163 HydrophobicContact CE2-CG 3.42Å; F157-P163 VanDerWaalsContact CE2-CG 3.42Å; F157-P163 HydrophobicContact CZ-CB 3.74Å; F157-P163 HydrophobicContact CZ-CG 3.55Å
158	N	89.8	Confident	90.7	Very high	50 Å²	50	44.2 Å²	44.2	27%	0.267	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-155.9	-170.6	-179.8	77.9	-13.5	0	0	0	109.8	Y33 E160 V161	Y33-N158 CarbonylContact O-C 3.6Å; N158-E160 PolarHBondContact ND2-OE2 3.43Å; N158-E160 PolarHBondContact O-N 2.67Å; N158-E160 PolarHBondContact OD1-N 3.01Å; N158-V161 PolarHBondContact N-O 3.07Å; N158-V161 CarbonylContact O-C 3.49Å; N158-V161 PolarHBondContact O-N 3.12Å; N158-V161 WeakPolarHBondContact OD1-CB 3.29Å; N158-V161 PolarHBondContact OD1-N 3.16Å
159	K	88.6	Confident	89.6	Confident	123 Å²	123	47.5 Å²	47.5	54%	0.535	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.3	179.7	69.1	174.4	-165.6	174.6	0	116	Y33 G34 Y41	Y33-K159 PolarHBondContact O-N 3.06Å; Y33-K159 VanDerWaalsContact O-N 3.12Å; G34-K159 WeakPolarHBondContact O-CB 3.32Å; Y41-K159 PolarHBondContact OH-O 2.85Å
160	E	87.8	Confident	88.6	Confident	88 Å²	88	51.7 Å²	51.7	41%	0.411	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-11.3	178	-55.9	110.8	-173.8	0	0	113.1	P50 G111 N158	P50-E160 WeakPolarHBondContact CA-O 3.05Å; P50-E160 WeakPolarHBondContact CB-O 3.13Å; G111-E160 WeakPolarHBondContact CA-O 3.28Å; N158-E160 PolarHBondContact ND2-OE2 3.43Å; N158-E160 PolarHBondContact O-N 2.67Å; N158-E160 PolarHBondContact OD1-N 3.01Å
161	V	92	Very high	88	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-141.8	111	-168.1	-176	0	0	0	0	110.2	P50 I68 A110 Q123 F155 F157 N158	P50-V161 CarbonylContact O-C 3.51Å; P50-V161 VanDerWaalsContact O-CA 3.3Å; P50-V161 WeakPolarHBondContact O-CA 3.26Å; I68-V161 HydrophobicContact CD1-CG1 3.55Å; A110-V161 HydrophobicContact CB-CG1 4.16Å; A110-V161 HydrophobicContact CB-CG2 4.14Å; Q123-V161 HydrophobicContact CG-CG2 4.43Å; F155-V161 HydrophobicContact CB-CG1 4.06Å; F157-V161 CarbonylContact C-O 3.51Å; F157-V161 WeakPolarHBondContact CA-O 3.36Å; F157-V161 WeakPolarHBondContact CB-O 3.43Å; F157-V161 HydrophobicContact CD1-CG1 4.49Å; N158-V161 PolarHBondContact N-O 3.07Å; N158-V161 CarbonylContact O-C 3.49Å; N158-V161 PolarHBondContact O-N 3.12Å; N158-V161 WeakPolarHBondContact OD1-CB 3.29Å; N158-V161 PolarHBondContact OD1-N 3.16Å
162	S	92.6	Very high	87.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.007	29%	0.294	C	S	.	.			trans	-151.7	159.4	176.2	59	0	0	0	0	111.3	P50 W51	P50-S162 CarbonylContact C-O 3.49Å; P50-S162 VanDerWaalsContact CG-OG 3.25Å; P50-S162 WeakPolarHBondContact CG-OG 3.46Å; P50-S162 PolarHBondContact O-N 3.07Å; W51-S162 WeakPolarHBondContact CA-O 3.19Å; W51-S162 VanDerWaalsContact CB-O 3.29Å; W51-S162 WeakPolarHBondContact CB-O 3.45Å; W51-S162 PolarHBondContact N-O 3.12Å
163	P	94.4	Very high	87.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-89.5	144.3	-171.3	35.4	-34.1	0	0	0	112	C27 G28 I68 P70 F157	C27-P163 CarbonylContact C-O 3.55Å; C27-P163 WeakPolarHBondContact CA-O 3.39Å; C27-P163 HydrophobicContact CB-CG 4.08Å; G28-P163 PolarHBondContact N-O 3.41Å; I68-P163 HydrophobicContact CG2-CB 4.09Å; I68-P163 CarbonylContact O-C 3.51Å; I68-P163 VanDerWaalsContact O-CA 3.31Å; I68-P163 WeakPolarHBondContact O-CA 3.42Å; P70-P163 HydrophobicContact CB-CB 4.4Å; F157-P163 HydrophobicContact CD2-CG 4.06Å; F157-P163 HydrophobicContact CE1-CB 4.3Å; F157-P163 HydrophobicContact CE1-CG 4.28Å; F157-P163 HydrophobicContact CE2-CB 4.15Å; F157-P163 HydrophobicContact CE2-CG 3.42Å; F157-P163 VanDerWaalsContact CE2-CG 3.42Å; F157-P163 HydrophobicContact CZ-CB 3.74Å; F157-P163 HydrophobicContact CZ-CG 3.55Å
164	V	94.3	Very high	86.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-80.9	144.7	167.5	70.7	0	0	0	0	110.1	W51 I68 I69 P70 V234 A241 Q243	W51-V164 HydrophobicContact CB-CB 3.96Å; W51-V164 HydrophobicContact CB-CG1 4.37Å; W51-V164 HydrophobicContact CD2-CB 3.73Å; W51-V164 HydrophobicContact CD2-CG2 4.12Å; W51-V164 HydrophobicContact CE3-CB 4.03Å; W51-V164 HydrophobicContact CE3-CG2 4.41Å; W51-V164 HydrophobicContact CG-CB 3.72Å; W51-V164 HydrophobicContact CG-CG1 4.38Å; W51-V164 HydrophobicContact CG-CG2 4.45Å; I68-V164 PolarHBondContact O-N 3.02Å; I69-V164 HydrophobicContact CG2-CG1 4.5Å; P70-V164 WeakPolarHBondContact CD-O 3.45Å; V164-V234 HydrophobicContact CG2-CG1 3.77Å; V164-V234 HydrophobicContact CG2-CG2 4.05Å; V164-A241 HydrophobicContact CG2-CB 4.19Å; V164-Q243 HydrophobicContact CG1-CB 3.82Å; V164-Q243 HydrophobicContact CG2-CB 4.12Å
165	C	92.6	Very high	85.5	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	151.5	170.5	-66	0	0	0	0	110.2	C27 K240 A241 Y242 Q243	C27-C165 HydrophobicContact CB-CB 4.01Å; C27-C165 WeakPolarHBondContact CB-SG 3.33Å; C27-C165 PolarHBondContact O-SG 2.83Å; C27-C165 WeakPolarHBondContact SG-CA 2.91Å; C27-C165 WeakPolarHBondContact SG-CB 3.3Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 3.47Å; C165-K240 WeakPolarHBondContact SG-CE 3.48Å; C165-A241 WeakPolarHBondContact CB-O 3.33Å; C165-A241 PolarHBondContact N-O 3.04Å; C165-Y242 HydrophobicContact CB-CD1 3.55Å; C165-Y242 HydrophobicContact CB-CE1 3.69Å; C165-Y242 HydrophobicContact CB-CG 4.21Å; C165-Y242 CarbonylContact O-C 3.44Å; C165-Y242 WeakPolarHBondContact O-CA 3.18Å; C165-Q243 PolarHBondContact O-N 3.33Å
166	V	90.2	Very high	84.5	Confident	34 Å²	34	52.8 Å²	52.8	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	179.5	-171.5	0	0	0	0	110.3	I69 A168 V270 L274	I69-V166 HydrophobicContact CB-CG2 3.65Å; I69-V166 HydrophobicContact CG2-CG2 3.41Å; I69-V166 VanDerWaalsContact CG2-CG2 3.41Å; V166-A168 PolarHBondContact O-N 3.24Å; V166-V270 HydrophobicContact CG1-CB 3.74Å; V166-V270 HydrophobicContact CG1-CG1 4.16Å; V166-V270 HydrophobicContact CG1-CG2 3.49Å; V166-V270 VanDerWaalsContact CG1-CG2 3.49Å; V166-L274 HydrophobicContact CG1-CD1 3.71Å
167	K	82.3	Confident	83.9	Confident	70 Å²	70	49.6 Å²	49.6	30%	0.304	28%	0.284	S	S	.	.			trans	-87.6	104	-179.1	-151.6	76.2	177.7	-177.5	0	111.1	A171 Y242 Q243 Y244 H269 V270	K167-A171 HydrophobicContact CB-CB 4.35Å; K167-A171 HydrophobicContact CG-CB 3.44Å; K167-A171 VanDerWaalsContact CG-CB 3.44Å; K167-Y242 HydrophobicContact CD-CD1 3.89Å; K167-Y242 HydrophobicContact CD-CE1 4.34Å; K167-Y242 HydrophobicContact CD-CG 4.47Å; K167-Q243 PolarHBondContact N-O 2.93Å; K167-Y244 HydrophobicContact CB-CD1 4.19Å; K167-Y244 HydrophobicContact CB-CE1 4.05Å; K167-Y244 HydrophobicContact CG-CD1 4.46Å; K167-Y244 HydrophobicContact CG-CE1 3.86Å; K167-H269 PolarHBondContact O-CE1 2.95Å; K167-V270 WeakPolarHBondContact O-CG2 3.43Å
168	A	67.6	Low	83.7	Confident	70 Å²	70	55.3 Å²	55.3	58%	0.579	31%	0.309	S	S	*	.			trans	-70.1	172.4	175.9	0	0	0	0	0	112.9	V166	V166-A168 PolarHBondContact O-N 3.24Å
169	A	71.3	Confident	83.7	Confident	91 Å²	91	53 Å²	53	75%	0.752	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	44.9	170.4	0	0	0	0	0	116.7	A171	A169-A171 PolarHBondContact O-N 3.4Å
170	Y	75.1	Confident	83.8	Confident	88 Å²	88	47.3 Å²	47.3	35%	0.345	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	30.3	175.3	-67.8	-77.4	0	0	0	114.4	K214 H269 A271 T272	Y170-K214 HydrophobicContact CD1-CB 3.64Å; Y170-K214 HydrophobicContact CD1-CD 3.62Å; Y170-K214 HydrophobicContact CD1-CG 4.23Å; Y170-K214 HydrophobicContact CD2-CD 4.28Å; Y170-K214 HydrophobicContact CE1-CB 3.96Å; Y170-K214 HydrophobicContact CE1-CD 3.96Å; Y170-K214 HydrophobicContact CE1-CG 4.45Å; Y170-K214 HydrophobicContact CG-CD 3.79Å; Y170-H269 VanDerWaalsContact C-NE2 3.27Å; Y170-H269 HydrophobicContact CD1-CB 4.33Å; Y170-H269 AromaticContact CD1-CG 4Å; Y170-H269 PolarHBondContact N-CE1 3.43Å; Y170-A271 HydrophobicContact CD1-CB 4.34Å; Y170-A271 HydrophobicContact CD2-CB 4.33Å; Y170-A271 HydrophobicContact CE1-CB 4.37Å; Y170-A271 HydrophobicContact CE2-CB 4.34Å; Y170-A271 HydrophobicContact CG-CB 4.33Å; Y170-T272 HydrophobicContact CE1-CG2 3.74Å
171	A	83.1	Confident	83.9	Confident	27 Å²	27	43.1 Å²	43.1	22%	0.223	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.5	141.1	178.4	0	0	0	0	0	111	K167 A169 Y244 H269	K167-A171 HydrophobicContact CB-CB 4.35Å; K167-A171 HydrophobicContact CG-CB 3.44Å; K167-A171 VanDerWaalsContact CG-CB 3.44Å; A169-A171 PolarHBondContact O-N 3.4Å; A171-Y244 HydrophobicContact CB-CE1 4.2Å; A171-Y244 VanDerWaalsContact O-CD1 3.26Å; A171-Y244 WeakPolarHBondContact O-CD1 3.34Å; A171-H269 WeakPolarHBondContact CA-NE2 3.42Å; A171-H269 PolarHBondContact N-NE2 2.84Å; A171-H269 PolarHBondContact O-CD2 3.33Å; A171-H269 PolarHBondContact O-NE2 2.9Å
172	I	83.4	Confident	83.8	Confident	76 Å²	76	43 Å²	43	39%	0.39	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-103	138.8	-177.2	-58.6	169.8	0	0	0	107.1	G199 L201 L216 Y244	I172-G199 WeakPolarHBondContact CG2-O 3.42Å; I172-L201 HydrophobicContact CD1-CD1 3.73Å; I172-L201 HydrophobicContact CD1-CD2 4.09Å; I172-L201 HydrophobicContact CD1-CG 3.85Å; I172-L201 HydrophobicContact CG1-CD2 4.27Å; I172-L201 HydrophobicContact CG1-CG 4.37Å; I172-L216 HydrophobicContact CG2-CD2 4.32Å; I172-Y244 WeakPolarHBondContact O-CE1 3.27Å
173	P	85	Confident	83.6	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.026	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67	160.1	172.2	28.5	-30.5	0	0	0	109.6	M196 S200 C235 Y244	P173-M196 HydrophobicContact CG-CE 3.81Å; P173-M196 HydrophobicContact CG-CG 4.18Å; P173-M196 HydrophobicContact CG-SD 4.38Å; P173-S200 PolarHBondContact O-OG 2.81Å; P173-C235 HydrophobicContact CB-CB 4.4Å; P173-Y244 HydrophobicContact CB-CD1 4.11Å; P173-Y244 HydrophobicContact CB-CD2 4.18Å; P173-Y244 HydrophobicContact CB-CE1 4.07Å; P173-Y244 HydrophobicContact CB-CE2 4.17Å; P173-Y244 HydrophobicContact CB-CG 4.15Å; P173-Y244 HydrophobicContact CG-CD1 4.26Å; P173-Y244 HydrophobicContact CG-CG 4.34Å; P173-Y244 VanDerWaalsContact N-CE1 3.3Å
174	S	79	Confident	83.2	Confident	60 Å²	60	44.8 Å²	44.8	42%	0.42	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-82.5	142.3	173.5	-173.2	0	0	0	0	109	T176 S177	S174-T176 PolarHBondContact O-N 3.41Å; S174-T176 PolarHBondContact OG-OG1 3.49Å; S174-T176 VanDerWaalsContact OG-OG1 3.09Å; S174-S177 PolarHBondContact N-OG 2.83Å; S174-S177 WeakPolarHBondContact O-CB 3.18Å; S174-S177 PolarHBondContact O-N 2.98Å; S174-S177 PolarHBondContact O-OG 2.75Å
175	D	70.5	Confident	82.5	Confident	86 Å²	86	48.4 Å²	48.4	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17	175.4	-49.8	-23	0	0	0	112	G199 S200	D175-G199 VanDerWaalsContact CG-N 3.32Å; D175-G199 PolarHBondContact OD1-N 2.8Å; D175-G199 PolarHBondContact OD2-N 2.81Å; D175-S200 PolarHBondContact OD1-N 3.28Å; D175-S200 PolarHBondContact OD1-OG 2.89Å
176	T	72.1	Confident	81.7	Confident	131 Å²	131	54.7 Å²	54.7	80%	0.804	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.3	171	63.7	0	0	0	0	114.8	S174	S174-T176 PolarHBondContact O-N 3.41Å; S174-T176 PolarHBondContact OG-OG1 3.49Å; S174-T176 VanDerWaalsContact OG-OG1 3.09Å
177	S	78.5	Confident	81	Confident	19 Å²	19	60 Å²	60	13%	0.133	33%	0.327	C	S	.	.	S	Bend	trans	-86.2	132.2	-177	66.7	0	0	0	0	111.9	S174 C179	S174-S177 PolarHBondContact N-OG 2.83Å; S174-S177 WeakPolarHBondContact O-CB 3.18Å; S174-S177 PolarHBondContact O-N 2.98Å; S174-S177 PolarHBondContact O-OG 2.75Å; S177-C179 PolarHBondContact O-N 3Å; S177-C179 VanDerWaalsContact O-N 3.17Å; S177-C179 PolarHBondContact O-SG 2.75Å
178	K	87.5	Confident	81	Confident	139 Å²	139	59.6 Å²	59.6	60%	0.604	32%	0.323	S	S	*	.			trans	-67.2	113.4	175.3	-67.1	-174.2	180	-177.4	0	109.1	C235 L236	K178-C235 CarbonylContact O-C 3.3Å; K178-C235 WeakPolarHBondContact O-CA 3.37Å; K178-L236 PolarHBondContact O-N 3.2Å
179	C	90.5	Very high	81.8	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	154.1	178.2	-60.3	0	0	0	0	111.7	S177 V194 M196 L233 V234 C235	S177-C179 PolarHBondContact O-N 3Å; S177-C179 VanDerWaalsContact O-N 3.17Å; S177-C179 PolarHBondContact O-SG 2.75Å; C179-V194 HydrophobicContact CB-CG2 3.94Å; C179-V194 PolarHBondContact O-N 2.99Å; C179-M196 HydrophobicContact CB-CG 4.13Å; C179-M196 HydrophobicContact CB-SD 4.11Å; C179-M196 VanDerWaalsContact SG-CG 3.55Å; C179-L233 HydrophobicContact CB-CD1 4.17Å; C179-V234 CarbonylContact C-O 3.58Å; C179-V234 VanDerWaalsContact CA-O 3.25Å; C179-V234 WeakPolarHBondContact CA-O 3.47Å; C179-C235 HydrophobicContact CB-CB 4.09Å; C179-C235 WeakPolarHBondContact CB-SG 3.12Å; C179-C235 WeakPolarHBondContact SG-CB 3.23Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 3.23Å
180	F	89.4	Confident	82.2	Confident	3 Å²	3	54.1 Å²	54.1	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.1	177.3	49.1	-91.3	0	0	0	110.8	L42 L49 W51 D192 V234 L236	L42-F180 HydrophobicContact CD1-CD1 4.26Å; L42-F180 HydrophobicContact CD1-CE1 3.94Å; L42-F180 HydrophobicContact CD2-CD1 3.81Å; L42-F180 HydrophobicContact CD2-CE1 4Å; L42-F180 HydrophobicContact CD2-CG 4.1Å; L42-F180 HydrophobicContact CD2-CZ 4.44Å; L49-F180 HydrophobicContact CD1-CD2 3.73Å; L49-F180 HydrophobicContact CD1-CE2 3.18Å; L49-F180 HydrophobicContact CD1-CZ 3.78Å; W51-F180 HydrophobicContact CZ2-CE2 4.12Å; W51-F180 HydrophobicContact CZ2-CZ 4.06Å; F180-D192 CarbonylContact C-O 3.52Å; F180-D192 WeakPolarHBondContact CA-O 3.37Å; F180-D192 WeakPolarHBondContact CB-O 3.32Å; F180-V234 HydrophobicContact CD2-CB 4.07Å; F180-V234 HydrophobicContact CE1-CG1 4.35Å; F180-V234 HydrophobicContact CE2-CB 3.46Å; F180-V234 VanDerWaalsContact CE2-CB 3.46Å; F180-V234 HydrophobicContact CE2-CG1 3.71Å; F180-V234 HydrophobicContact CE2-CG2 4.2Å; F180-V234 HydrophobicContact CZ-CB 3.74Å; F180-V234 HydrophobicContact CZ-CG1 3.5Å; F180-V234 VanDerWaalsContact CZ-CG1 3.5Å; F180-V234 PolarHBondContact N-O 2.75Å; F180-V234 PolarHBondContact O-N 2.78Å; F180-L236 HydrophobicContact CE1-CD2 3.89Å; F180-L236 HydrophobicContact CE1-CG 4.12Å; F180-L236 HydrophobicContact CZ-CD2 4.28Å
181	V	90.9	Very high	82.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.8	174.6	65.3	0	0	0	0	110.3	T183 D192 V194 P232 Y267	V181-T183 HydrophobicContact CG1-CG2 4.14Å; V181-D192 HydrophobicContact CG1-CB 4.29Å; V181-D192 PolarHBondContact N-O 2.78Å; V181-D192 PolarHBondContact O-N 3.14Å; V181-V194 HydrophobicContact CB-CG1 4.4Å; V181-V194 HydrophobicContact CG1-CG1 3.65Å; V181-P232 WeakPolarHBondContact CA-O 3.35Å; V181-Y267 HydrophobicContact CB-CE1 4.09Å; V181-Y267 HydrophobicContact CG2-CE1 3.81Å
182	S	90.5	Very high	82.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.6	175.2	-36.6	0	0	0	0	111.2	T52 L65 D190 E191 P232	T52-S182 VanDerWaalsContact CG2-CB 3.45Å; T52-S182 PolarHBondContact OG1-OG 2.82Å; L65-S182 VanDerWaalsContact CD1-C 3.45Å; L65-S182 WeakPolarHBondContact CD1-O 3.32Å; S182-D190 CarbonylContact C-O 3.45Å; S182-D190 WeakPolarHBondContact CA-O 3.34Å; S182-E191 WeakPolarHBondContact CA-OE2 3.14Å; S182-E191 WeakPolarHBondContact CB-OE1 3.28Å; S182-E191 WeakPolarHBondContact CB-OE2 3.25Å; S182-E191 PolarHBondContact N-OE2 3.11Å; S182-E191 PolarHBondContact OG-OE1 2.81Å; S182-E191 VanDerWaalsContact OG-OE1 3.08Å; S182-E191 PolarHBondContact OG-OE2 2.84Å; S182-P232 WeakPolarHBondContact OG-CD 3.19Å; S182-P232 WeakPolarHBondContact OG-CG 3.35Å
183	T	87.5	Confident	82.8	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	171.9	-179.3	76	0	0	0	0	111	V181 D190 D192 S228	V181-T183 HydrophobicContact CG1-CG2 4.14Å; T183-D190 PolarHBondContact N-O 2.68Å; T183-D190 PolarHBondContact O-N 3.46Å; T183-D192 WeakPolarHBondContact CB-OD2 3.46Å; T183-D192 HydrophobicContact CG2-CB 3.96Å; T183-D192 WeakPolarHBondContact CG2-OD2 3.4Å; T183-D192 PolarHBondContact OG1-OD2 2.79Å; T183-S228 WeakPolarHBondContact CB-OG 3.22Å; T183-S228 WeakPolarHBondContact CG2-OG 3.19Å
184	Y	86.4	Confident	82.9	Confident	29 Å²	29	53.3 Å²	53.3	11%	0.114	27%	0.268	C	S	.	.			trans	-139	85.4	-171.8	174.6	-103.4	0	0	0	111.9	F62 L115 R188 L189 K227	F62-Y184 HydrophobicContact CB-CE1 3.88Å; F62-Y184 AromaticContact CD1-CD1 3.76Å; F62-Y184 HydrophobicContact CD1-CD1 3.76Å; F62-Y184 AromaticContact CD1-CE1 3.77Å; F62-Y184 HydrophobicContact CD1-CE1 3.77Å; F62-Y184 AromaticContact CD2-CD1 3.79Å; F62-Y184 HydrophobicContact CD2-CD1 3.79Å; F62-Y184 HydrophobicContact CD2-CD2 4.25Å; F62-Y184 AromaticContact CD2-CE1 3.65Å; F62-Y184 HydrophobicContact CD2-CE1 3.65Å; F62-Y184 HydrophobicContact CD2-CE2 4.11Å; F62-Y184 HydrophobicContact CD2-CG 4.1Å; F62-Y184 AromaticContact CD2-CZ 3.8Å; F62-Y184 AromaticContact CE1-CD1 3.65Å; F62-Y184 HydrophobicContact CE1-CD1 3.65Å; F62-Y184 HydrophobicContact CE1-CE1 4.17Å; F62-Y184 HydrophobicContact CE1-CG 4.28Å; F62-Y184 AromaticContact CE2-CD1 3.68Å; F62-Y184 HydrophobicContact CE2-CD1 3.68Å; F62-Y184 AromaticContact CE2-CD2 3.99Å; F62-Y184 HydrophobicContact CE2-CD2 3.99Å; F62-Y184 HydrophobicContact CE2-CE1 4.05Å; F62-Y184 HydrophobicContact CE2-CE2 4.32Å; F62-Y184 AromaticContact CE2-CG 3.66Å; F62-Y184 HydrophobicContact CE2-CG 3.66Å; F62-Y184 AromaticContact CG-CD1 3.82Å; F62-Y184 HydrophobicContact CG-CD1 3.82Å; F62-Y184 AromaticContact CG-CE1 3.49Å; F62-Y184 HydrophobicContact CG-CE1 3.49Å; F62-Y184 VanDerWaalsContact CG-CE1 3.49Å; F62-Y184 AromaticContact CG-CZ 3.98Å; F62-Y184 AromaticContact CZ-CD1 3.6Å; F62-Y184 HydrophobicContact CZ-CD1 3.6Å; F62-Y184 HydrophobicContact CZ-CE1 4.28Å; F62-Y184 AromaticContact CZ-CG 3.75Å; F62-Y184 HydrophobicContact CZ-CG 3.75Å; L115-Y184 HydrophobicContact CB-CE2 3.85Å; L115-Y184 HydrophobicContact CD2-CE2 4.4Å; Y184-R188 CarbonylContact C-O 3.4Å; Y184-R188 WeakPolarHBondContact CA-O 3.46Å; Y184-R188 WeakPolarHBondContact CD2-O 3.44Å; Y184-L189 HydrophobicContact CD2-CD1 4.16Å; Y184-L189 HydrophobicContact CD2-CG 4.24Å; Y184-L189 HydrophobicContact CE2-CD1 4.4Å; Y184-K227 VanDerWaalsContact O-CB 3.24Å; Y184-K227 WeakPolarHBondContact O-CB 3.18Å; Y184-K227 VanDerWaalsContact O-CD 3.3Å; Y184-K227 WeakPolarHBondContact O-CD 3.48Å
185	H	78.9	Confident	83.3	Confident	76 Å²	76	59.6 Å²	59.6	35%	0.352	28%	0.282	S	S	.	.			trans	-106.8	138.4	-177.9	-170.8	88.8	0	0	0	112	R187 R188 E224	H185-R187 VanDerWaalsContact C-N 3.25Å; H185-R187 PolarHBondContact O-N 3.41Å; H185-R187 VanDerWaalsContact O-N 3.08Å; H185-R188 PolarHBondContact N-O 3.21Å; H185-R188 WeakPolarHBondContact O-CA 3.16Å; H185-R188 WeakPolarHBondContact O-CB 3.37Å; H185-R188 PolarHBondContact O-N 3.36Å; H185-E224 IonicContact CE1-OE2 3.81Å; H185-E224 PolarHBondContact CE1-OE2 3.46Å; H185-E224 IonicContact ND1-OE2 3.06Å; H185-E224 PolarHBondContact ND1-OE2 2.8Å
186	N	75	Confident	84	Confident	134 Å²	134	56.4 Å²	56.4	72%	0.717	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	39.7	178.5	-69.9	-17.4	0	0	0	116.4	R188	N186-R188 PolarHBondContact O-N 3.29Å
187	R	76.3	Confident	84.5	Confident	147 Å²	147	50.4 Å²	50.4	56%	0.555	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	-2.7	-174.9	-48	-178.7	-174.5	169.1	2.9	115.7	R114 L115 H185	R114-R187 CarbonylContact C-O 3.55Å; R114-R187 VanDerWaalsContact CA-O 3.23Å; R114-R187 WeakPolarHBondContact CA-O 3.46Å; L115-R187 PolarHBondContact N-O 3.08Å; H185-R187 VanDerWaalsContact C-N 3.25Å; H185-R187 PolarHBondContact O-N 3.41Å; H185-R187 VanDerWaalsContact O-N 3.08Å
188	R	82.2	Confident	84.4	Confident	61 Å²	61	54.5 Å²	54.5	23%	0.23	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-78.7	152.4	166.4	-148	-162.6	-167.9	143.6	13.4	109.4	S46 D113 R114 Y184 H185 N186	S46-R188 PolarHBondContact O-NH2 2.73Å; S46-R188 PolarHBondContact OG-NH1 2.68Å; S46-R188 PolarHBondContact OG-NH2 3.19Å; D113-R188 WeakPolarHBondContact O-CA 3.31Å; D113-R188 WeakPolarHBondContact O-CG 3.44Å; R114-R188 HydrophobicContact CG-CB 4.42Å; R114-R188 HydrophobicContact CG-CG 4.15Å; Y184-R188 CarbonylContact C-O 3.4Å; Y184-R188 WeakPolarHBondContact CA-O 3.46Å; Y184-R188 WeakPolarHBondContact CD2-O 3.44Å; H185-R188 PolarHBondContact N-O 3.21Å; H185-R188 WeakPolarHBondContact O-CA 3.16Å; H185-R188 WeakPolarHBondContact O-CB 3.37Å; H185-R188 PolarHBondContact O-N 3.36Å; N186-R188 PolarHBondContact O-N 3.29Å
189	L	84.4	Confident	83.8	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	25%	0.245	C	C	.	.			trans	-89.7	147.2	155.9	-66.5	75.2	0	0	0	107.3	V48 T52 A54 L65 D113 Y184	V48-L189 HydrophobicContact CB-CB 4.41Å; V48-L189 HydrophobicContact CG1-CB 3.69Å; V48-L189 HydrophobicContact CG1-CD2 4.06Å; V48-L189 HydrophobicContact CG1-CG 4.5Å; V48-L189 HydrophobicContact CG2-CB 3.77Å; V48-L189 WeakPolarHBondContact CG2-O 3.24Å; T52-L189 HydrophobicContact CG2-CD2 3.87Å; A54-L189 HydrophobicContact CB-CD2 4.45Å; L65-L189 HydrophobicContact CD2-CD2 3.73Å; L65-L189 HydrophobicContact CD2-CG 4Å; D113-L189 PolarHBondContact O-N 3.38Å; Y184-L189 HydrophobicContact CD2-CD1 4.16Å; Y184-L189 HydrophobicContact CD2-CG 4.24Å; Y184-L189 HydrophobicContact CE2-CD1 4.4Å
190	D	81.1	Confident	83.2	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.219	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	167.8	-176.8	-151.6	-23.4	0	0	0	108.5	S182 T183	S182-D190 CarbonylContact C-O 3.45Å; S182-D190 WeakPolarHBondContact CA-O 3.34Å; T183-D190 PolarHBondContact N-O 2.68Å; T183-D190 PolarHBondContact O-N 3.46Å
191	E	85.2	Confident	82.7	Confident	25 Å²	25	52.4 Å²	52.4	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	104.8	-176.6	-56.2	-74.4	165.5	0	0	109.7	L49 T52 S182	L49-E191 HydrophobicContact CB-CG 4.35Å; L49-E191 HydrophobicContact CD1-CB 4.34Å; L49-E191 HydrophobicContact CD1-CG 3.73Å; L49-E191 HydrophobicContact CG-CG 3.96Å; T52-E191 PolarHBondContact OG1-OE1 3.25Å; S182-E191 WeakPolarHBondContact CA-OE2 3.14Å; S182-E191 WeakPolarHBondContact CB-OE1 3.28Å; S182-E191 WeakPolarHBondContact CB-OE2 3.25Å; S182-E191 PolarHBondContact N-OE2 3.11Å; S182-E191 PolarHBondContact OG-OE1 2.81Å; S182-E191 VanDerWaalsContact OG-OE1 3.08Å; S182-E191 PolarHBondContact OG-OE2 2.84Å
192	D	82.5	Confident	82	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.112	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.6	-179.3	-81.4	-79.2	0	0	0	110.6	F180 V181 T183 H220 R222	F180-D192 CarbonylContact C-O 3.52Å; F180-D192 WeakPolarHBondContact CA-O 3.37Å; F180-D192 WeakPolarHBondContact CB-O 3.32Å; V181-D192 HydrophobicContact CG1-CB 4.29Å; V181-D192 PolarHBondContact N-O 2.78Å; V181-D192 PolarHBondContact O-N 3.14Å; T183-D192 WeakPolarHBondContact CB-OD2 3.46Å; T183-D192 HydrophobicContact CG2-CB 3.96Å; T183-D192 WeakPolarHBondContact CG2-OD2 3.4Å; T183-D192 PolarHBondContact OG1-OD2 2.79Å; D192-H220 IonicContact OD1-CE1 3.07Å; D192-R222 IonicContact OD1-CZ 3.45Å; D192-R222 IonicContact OD1-NE 2.95Å; D192-R222 IonicContact OD1-NH1 3.46Å; D192-R222 PolarHBondContact OD1-NH1 2.97Å; D192-R222 IonicContact OD2-NH1 2.67Å
193	I	85.7	Confident	80.8	Confident	125 Å²	125	58.2 Å²	58.2	64%	0.641	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.2	172.1	-59.9	175.4	0	0	0	108.8
194	V	86.5	Confident	79.6	Confident	7 Å²	7	60 Å²	60	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.4	-178.9	-60.8	0	0	0	0	112	C179 V181 M196 S218 L233	C179-V194 HydrophobicContact CB-CG2 3.94Å; C179-V194 PolarHBondContact O-N 2.99Å; V181-V194 HydrophobicContact CB-CG1 4.4Å; V181-V194 HydrophobicContact CG1-CG1 3.65Å; V194-M196 HydrophobicContact CG2-SD 4.47Å; V194-S218 WeakPolarHBondContact CB-OG 3.45Å; V194-L233 HydrophobicContact CG2-CD1 3.71Å
195	R	86.9	Confident	77.8	Confident	193 Å²	193	60.5 Å²	60.5	73%	0.728	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.2	174	-62.1	-177.7	-175.6	-165.5	2	108.1	S218 H219	R195-S218 CarbonylContact O-C 3.55Å; R195-S218 WeakPolarHBondContact O-CA 3.34Å; R195-S218 VanDerWaalsContact O-CB 3.24Å; R195-S218 WeakPolarHBondContact O-CB 3.37Å; R195-H219 PolarHBondContact O-N 3.05Å
196	M	87	Confident	76.7	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.089	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145	174.7	-63.7	-52.3	-61.6	0	0	110.3	P173 C179 V194 S200 L216 C217 L233	P173-M196 HydrophobicContact CG-CE 3.81Å; P173-M196 HydrophobicContact CG-CG 4.18Å; P173-M196 HydrophobicContact CG-SD 4.38Å; C179-M196 HydrophobicContact CB-CG 4.13Å; C179-M196 HydrophobicContact CB-SD 4.11Å; C179-M196 VanDerWaalsContact SG-CG 3.55Å; V194-M196 HydrophobicContact CG2-SD 4.47Å; M196-S200 VanDerWaalsContact CB-OG 3.3Å; M196-S200 WeakPolarHBondContact CB-OG 3.5Å; M196-L216 HydrophobicContact CE-CB 4.27Å; M196-C217 WeakPolarHBondContact CE-O 3.33Å; M196-L233 HydrophobicContact CE-CD2 3.89Å; M196-L233 HydrophobicContact SD-CD1 3.98Å; M196-L233 HydrophobicContact SD-CD2 4.03Å
197	V	80.8	Confident	75.9	Confident	6 Å²	6	54 Å²	54	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	151.6	171.1	169.5	0	0	0	0	109.2	G199 S200 F204 C217 L264	V197-G199 PolarHBondContact O-N 3.4Å; V197-S200 WeakPolarHBondContact O-CA 3.42Å; V197-S200 PolarHBondContact O-N 3.16Å; V197-F204 HydrophobicContact CB-CZ 4.16Å; V197-F204 HydrophobicContact CG1-CE1 3.67Å; V197-F204 HydrophobicContact CG1-CE2 4.47Å; V197-F204 HydrophobicContact CG1-CZ 3.42Å; V197-F204 VanDerWaalsContact CG1-CZ 3.42Å; V197-F204 HydrophobicContact CG2-CE2 4.5Å; V197-F204 HydrophobicContact CG2-CZ 3.68Å; V197-C217 HydrophobicContact CB-CB 4.5Å; V197-C217 WeakPolarHBondContact CB-O 3.3Å; V197-C217 HydrophobicContact CG2-CB 3.88Å; V197-C217 WeakPolarHBondContact CG2-O 3.47Å; V197-C217 PolarHBondContact N-O 2.88Å; V197-C217 VanDerWaalsContact N-O 3.14Å; V197-L264 HydrophobicContact CG2-CD2 4.4Å
198	P	77.7	Confident	75	Confident	105 Å²	105	50.6 Å²	50.6	68%	0.682	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	128.2	171.9	-28.4	36.4	0	0	0	112.9	S200	P198-S200 PolarHBondContact O-N 3.03Å
199	G	75.3	Confident	73.8	Confident	40 Å²	40	50.1 Å²	50.1	41%	0.412	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	2.4	-171	0	0	0	0	0	114.8	I172 D175 V197 L201	I172-G199 WeakPolarHBondContact CG2-O 3.42Å; D175-G199 VanDerWaalsContact CG-N 3.32Å; D175-G199 PolarHBondContact OD1-N 2.8Å; D175-G199 PolarHBondContact OD2-N 2.81Å; V197-G199 PolarHBondContact O-N 3.4Å; G199-L201 PolarHBondContact O-N 3.31Å
200	S	76.3	Confident	72.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.3	0	173.1	-65.2	0	0	0	0	117.9	P173 D175 M196 V197 P198 L216 C217	P173-S200 PolarHBondContact O-OG 2.81Å; D175-S200 PolarHBondContact OD1-N 3.28Å; D175-S200 PolarHBondContact OD1-OG 2.89Å; M196-S200 VanDerWaalsContact CB-OG 3.3Å; M196-S200 WeakPolarHBondContact CB-OG 3.5Å; V197-S200 WeakPolarHBondContact O-CA 3.42Å; V197-S200 PolarHBondContact O-N 3.16Å; P198-S200 PolarHBondContact O-N 3.03Å; S200-L216 VanDerWaalsContact O-CA 3.22Å; S200-L216 WeakPolarHBondContact O-CA 3.43Å; S200-L216 WeakPolarHBondContact O-CB 3.37Å; S200-L216 WeakPolarHBondContact O-CD2 3.36Å; S200-C217 PolarHBondContact O-N 3.06Å
201	L	79.3	Confident	72.1	Confident	60 Å²	60	49.7 Å²	49.7	31%	0.314	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.6	178.3	-73.4	168.2	0	0	0	111.9	I172 G199 N203 L216	I172-L201 HydrophobicContact CD1-CD1 3.73Å; I172-L201 HydrophobicContact CD1-CD2 4.09Å; I172-L201 HydrophobicContact CD1-CG 3.85Å; I172-L201 HydrophobicContact CG1-CD2 4.27Å; I172-L201 HydrophobicContact CG1-CG 4.37Å; G199-L201 PolarHBondContact O-N 3.31Å; L201-N203 HydrophobicContact CB-CB 4.28Å; L201-N203 PolarHBondContact O-N 3.14Å; L201-L216 HydrophobicContact CD2-CD2 4.18Å
202	C	75.7	Confident	71.2	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.02	30%	0.295	C	S	.	.			trans	-77.1	55	167.6	-51.6	0	0	0	0	112	F204 L210 G215 L216 C217 F266	C202-F204 VanDerWaalsContact C-N 3.34Å; C202-L210 HydrophobicContact CB-CB 4.46Å; C202-G215 PolarHBondContact N-O 3.24Å; C202-L216 PolarHBondContact SG-O 3.21Å; C202-C217 HydrophobicContact CB-CB 4.09Å; C202-C217 WeakPolarHBondContact CB-SG 3.47Å; C202-C217 WeakPolarHBondContact SG-CB 3.42Å; C202-C217 PolarHBondContact SG-N 3.03Å; C202-C217 VanDerWaalsContact SG-N 3.41Å; C202-C217 CovalentContact SG-SG 2.04Å; C202-C217 PolarHBondContact SG-SG 2.78Å; C202-F266 HydrophobicContact CB-CD2 4.12Å; C202-F266 HydrophobicContact CB-CE2 3.99Å; C202-F266 WeakPolarHBondContact SG-CD2 3.14Å; C202-F266 VanDerWaalsContact SG-CE2 3.55Å
203	N	66	Low	70.7	Confident	118 Å²	118	53.6 Å²	53.6	63%	0.631	29%	0.292	S	S	*	.			trans	-99.5	42.7	179.8	-163.4	53.5	0	0	0	112	L201 A211	L201-N203 HydrophobicContact CB-CB 4.28Å; L201-N203 PolarHBondContact O-N 3.14Å; N203-A211 WeakPolarHBondContact OD1-CB 3.49Å
204	F	61.7	Low	70.3	Confident	48 Å²	48	53.3 Å²	53.3	21%	0.211	29%	0.286	C	S	.	.			trans	-79.2	141.3	176	-54.3	-72	0	0	0	111	V197 C202 H206 F207 C217 L264	V197-F204 HydrophobicContact CB-CZ 4.16Å; V197-F204 HydrophobicContact CG1-CE1 3.67Å; V197-F204 HydrophobicContact CG1-CE2 4.47Å; V197-F204 HydrophobicContact CG1-CZ 3.42Å; V197-F204 VanDerWaalsContact CG1-CZ 3.42Å; V197-F204 HydrophobicContact CG2-CE2 4.5Å; V197-F204 HydrophobicContact CG2-CZ 3.68Å; C202-F204 VanDerWaalsContact C-N 3.34Å; F204-H206 HydrophobicContact CB-CB 4.46Å; F204-H206 PolarHBondContact O-N 3.22Å; F204-H206 VanDerWaalsContact O-N 3.16Å; F204-F207 HydrophobicContact CB-CD2 4.39Å; F204-F207 HydrophobicContact CD2-CD2 4.32Å; F204-F207 CarbonylContact O-C 3.38Å; F204-F207 PolarHBondContact O-N 2.86Å; F204-C217 HydrophobicContact CE2-CB 3.89Å; F204-C217 HydrophobicContact CZ-CB 4.37Å; F204-L264 HydrophobicContact CD2-CD1 4.22Å; F204-L264 HydrophobicContact CE1-CD1 4.13Å; F204-L264 HydrophobicContact CE2-CD1 3.37Å; F204-L264 HydrophobicContact CZ-CD1 3.29Å
205	G	49.7	Very low	70.3	Confident	38 Å²	38	53 Å²	53	39%	0.392	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.7	170.4	0	0	0	0	0	113.5	F207 P208	G205-F207 PolarHBondContact O-N 2.83Å; G205-P208 WeakPolarHBondContact O-CD 3.26Å
206	H	55.7	Low	70.4	Confident	58 Å²	58	43.9 Å²	43.9	27%	0.269	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.8	174.7	-56.6	-68.9	0	0	0	114.3	F204 V1080	F204-H206 HydrophobicContact CB-CB 4.46Å; F204-H206 PolarHBondContact O-N 3.22Å; F204-H206 VanDerWaalsContact O-N 3.16Å; H206-V1080 PolarHBondContact ND1-O 2.82Å; H206-V1080 VanDerWaalsContact ND1-O 3.13Å
207	F	57.2	Low	70.5	Confident	16 Å²	16	43 Å²	43	7%	0.07	25%	0.246	C	C	.	.			trans	-135.5	64.2	-177.7	-57.2	-73.2	0	0	0	112.5	F204 G205 E209 L210 A211 L251 T253 E1005	F204-F207 HydrophobicContact CB-CD2 4.39Å; F204-F207 HydrophobicContact CD2-CD2 4.32Å; F204-F207 CarbonylContact O-C 3.38Å; F204-F207 PolarHBondContact O-N 2.86Å; G205-F207 PolarHBondContact O-N 2.83Å; F207-E209 PolarHBondContact O-N 3.13Å; F207-L210 HydrophobicContact CB-CB 3.9Å; F207-L210 HydrophobicContact CB-CD1 3.68Å; F207-L210 HydrophobicContact CB-CG 3.81Å; F207-L210 HydrophobicContact CD1-CD1 4.09Å; F207-L210 HydrophobicContact CD2-CD1 4.37Å; F207-L210 HydrophobicContact CG-CD1 3.81Å; F207-L210 HydrophobicContact CG-CG 4.41Å; F207-L210 WeakPolarHBondContact O-CB 3.41Å; F207-L210 PolarHBondContact O-N 3.3Å; F207-A211 PolarHBondContact O-N 2.86Å; F207-L251 HydrophobicContact CD2-CD1 4.06Å; F207-L251 HydrophobicContact CE1-CD2 4.02Å; F207-L251 HydrophobicContact CE2-CB 3.9Å; F207-L251 HydrophobicContact CE2-CD1 3.89Å; F207-L251 HydrophobicContact CE2-CD2 4.4Å; F207-L251 HydrophobicContact CE2-CG 4.28Å; F207-L251 HydrophobicContact CZ-CB 3.81Å; F207-L251 HydrophobicContact CZ-CD1 4.27Å; F207-L251 HydrophobicContact CZ-CD2 3.94Å; F207-L251 HydrophobicContact CZ-CG 4.21Å; F207-T253 HydrophobicContact CE2-CG2 3.95Å; F207-E1005 HydrophobicContact CE1-CG 4.01Å; F207-E1005 HydrophobicContact CE2-CG 4.45Å; F207-E1005 HydrophobicContact CZ-CG 3.55Å
208	P	58.1	Low	70.8	Confident	75 Å²	75	42.7 Å²	42.7	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-28.1	-179.8	28.7	-34.2	0	0	0	111.6	G205 L210 A211	G205-P208 WeakPolarHBondContact O-CD 3.26Å; P208-L210 VanDerWaalsContact C-N 3.27Å; P208-L210 PolarHBondContact O-N 3.02Å; P208-A211 PolarHBondContact O-N 2.81Å
209	E	58.1	Low	71	Confident	51 Å²	51	40.2 Å²	40.2	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-33.5	168.6	-83.1	-141.3	-139.7	0	0	113.2	R137 V138 F207 R1002	R137-E209 WeakPolarHBondContact CD-O 3.39Å; R137-E209 WeakPolarHBondContact CG-OE2 3.42Å; R137-E209 PolarHBondContact NH1-O 2.9Å; V138-E209 HydrophobicContact CG1-CB 4.01Å; V138-E209 HydrophobicContact CG1-CG 4.21Å; F207-E209 PolarHBondContact O-N 3.13Å; E209-R1002 IonicContact OE1-CZ 2.83Å; E209-R1002 IonicContact OE1-NE 2.73Å; E209-R1002 PolarHBondContact OE1-NE 2.86Å; E209-R1002 IonicContact OE1-NH2 2.7Å; E209-R1002 IonicContact OE2-CZ 2.96Å; E209-R1002 VanDerWaalsContact OE2-CZ 3.23Å; E209-R1002 IonicContact OE2-NE 3.85Å; E209-R1002 PolarHBondContact OE2-NE 2.86Å; E209-R1002 VanDerWaalsContact OE2-NE 3.11Å; E209-R1002 IonicContact OE2-NH2 3.58Å; E209-R1002 PolarHBondContact OE2-NH2 3.33Å
210	L	64.9	Low	70.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-83.7	-23.5	-177.8	-64.6	-177.9	0	0	0	113.8	V138 I142 C202 F207 P208 K212 T213 L251 F266	V138-L210 HydrophobicContact CG2-CD2 3.78Å; I142-L210 HydrophobicContact CD1-CD2 4.37Å; I142-L210 HydrophobicContact CG2-CD2 4.39Å; C202-L210 HydrophobicContact CB-CB 4.46Å; F207-L210 HydrophobicContact CB-CB 3.9Å; F207-L210 HydrophobicContact CB-CD1 3.68Å; F207-L210 HydrophobicContact CB-CG 3.81Å; F207-L210 HydrophobicContact CD1-CD1 4.09Å; F207-L210 HydrophobicContact CD2-CD1 4.37Å; F207-L210 HydrophobicContact CG-CD1 3.81Å; F207-L210 HydrophobicContact CG-CG 4.41Å; F207-L210 WeakPolarHBondContact O-CB 3.41Å; F207-L210 PolarHBondContact O-N 3.3Å; P208-L210 VanDerWaalsContact C-N 3.27Å; P208-L210 PolarHBondContact O-N 3.02Å; L210-K212 PolarHBondContact O-N 3.07Å; L210-T213 WeakPolarHBondContact O-CB 3.32Å; L210-T213 PolarHBondContact O-N 2.91Å; L210-T213 PolarHBondContact O-OG1 3.24Å; L210-L251 HydrophobicContact CD1-CD1 3.55Å; L210-L251 HydrophobicContact CD1-CD2 3.91Å; L210-L251 HydrophobicContact CD1-CG 4.39Å; L210-F266 HydrophobicContact CB-CE2 4.14Å; L210-F266 HydrophobicContact CD1-CD2 3.77Å; L210-F266 HydrophobicContact CD1-CE2 3.87Å; L210-F266 HydrophobicContact CD2-CD2 4.4Å; L210-F266 HydrophobicContact CD2-CE1 4.46Å; L210-F266 HydrophobicContact CD2-CE2 3.85Å; L210-F266 HydrophobicContact CD2-CZ 3.89Å; L210-F266 HydrophobicContact CG-CE2 4.17Å
211	A	63.8	Low	70.3	Confident	36 Å²	36	46.1 Å²	46.1	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-52.4	-42.8	174.8	0	0	0	0	0	111.7	N203 F207 P208 T213 K214	N203-A211 WeakPolarHBondContact OD1-CB 3.49Å; F207-A211 PolarHBondContact O-N 2.86Å; P208-A211 PolarHBondContact O-N 2.81Å; A211-T213 PolarHBondContact O-N 2.77Å; A211-K214 PolarHBondContact O-N 2.61Å
212	K	67.1	Low	69.4	Low	121 Å²	121	49.9 Å²	49.9	53%	0.526	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	9.1	177.5	-59.4	-169.3	178.4	-172.9	0	114.7	R137 L210 G1163 N1164	R137-K212 PolarHBondContact NH1-O 2.96Å; R137-K212 VanDerWaalsContact NH1-O 3.16Å; R137-K212 PolarHBondContact NH2-O 2.83Å; L210-K212 PolarHBondContact O-N 3.07Å; K212-G1163 PolarHBondContact NZ-O 3.02Å; K212-N1164 PolarHBondContact NZ-OD1 2.83Å
213	T	71.6	Confident	68.5	Low	7 Å²	7	55.5 Å²	55.5	4%	0.043	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-21.9	175.5	-19.9	0	0	0	0	112	Y135 R137 L210 A211 G215 F266	Y135-T213 HydrophobicContact CD1-CG2 3.92Å; Y135-T213 HydrophobicContact CD2-CG2 3.52Å; Y135-T213 HydrophobicContact CE1-CG2 3.88Å; Y135-T213 HydrophobicContact CE2-CG2 3.45Å; Y135-T213 VanDerWaalsContact CE2-CG2 3.45Å; Y135-T213 HydrophobicContact CG-CG2 3.73Å; R137-T213 VanDerWaalsContact CZ-OG1 3.29Å; R137-T213 PolarHBondContact NH1-OG1 2.8Å; L210-T213 WeakPolarHBondContact O-CB 3.32Å; L210-T213 PolarHBondContact O-N 2.91Å; L210-T213 PolarHBondContact O-OG1 3.24Å; A211-T213 PolarHBondContact O-N 2.77Å; T213-G215 PolarHBondContact O-N 2.97Å; T213-F266 HydrophobicContact CG2-CZ 4.18Å
214	K	77.9	Confident	68.1	Low	119 Å²	119	54.5 Å²	54.5	52%	0.517	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	37.8	-159.3	-52.9	-179.3	-179.6	-175.7	0	111.3	Y170 A211 H269	Y170-K214 HydrophobicContact CD1-CB 3.64Å; Y170-K214 HydrophobicContact CD1-CD 3.62Å; Y170-K214 HydrophobicContact CD1-CG 4.23Å; Y170-K214 HydrophobicContact CD2-CD 4.28Å; Y170-K214 HydrophobicContact CE1-CB 3.96Å; Y170-K214 HydrophobicContact CE1-CD 3.96Å; Y170-K214 HydrophobicContact CE1-CG 4.45Å; Y170-K214 HydrophobicContact CG-CD 3.79Å; A211-K214 PolarHBondContact O-N 2.61Å; K214-H269 VanDerWaalsContact O-CB 3.3Å; K214-H269 WeakPolarHBondContact O-CB 3.41Å
215	G	84.8	Confident	67.9	Low	1 Å²	1	52.7 Å²	52.7	1%	0.01	27%	0.274	C	S	.	.			trans	-74.5	155	177	0	0	0	0	0	111.2	C202 T213 Y267	C202-G215 PolarHBondContact N-O 3.24Å; T213-G215 PolarHBondContact O-N 2.97Å; G215-Y267 WeakPolarHBondContact CA-O 3.2Å
216	L	89.9	Confident	68.3	Low	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.4	-178.9	-58.6	172.9	0	0	0	110	I172 M196 S200 L201 C202 L233 Y244 Y267	I172-L216 HydrophobicContact CG2-CD2 4.32Å; M196-L216 HydrophobicContact CE-CB 4.27Å; S200-L216 VanDerWaalsContact O-CA 3.22Å; S200-L216 WeakPolarHBondContact O-CA 3.43Å; S200-L216 WeakPolarHBondContact O-CB 3.37Å; S200-L216 WeakPolarHBondContact O-CD2 3.36Å; L201-L216 HydrophobicContact CD2-CD2 4.18Å; C202-L216 PolarHBondContact SG-O 3.21Å; L216-L233 HydrophobicContact CB-CD2 4.19Å; L216-L233 HydrophobicContact CD1-CD2 4.13Å; L216-Y244 HydrophobicContact CD1-CD1 4.46Å; L216-Y267 PolarHBondContact N-O 2.96Å; L216-Y267 VanDerWaalsContact O-CD2 3.32Å; L216-Y267 WeakPolarHBondContact O-CD2 2.99Å; L216-Y267 PolarHBondContact O-N 3.25Å
217	C	88.7	Confident	69.1	Low	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145	-176.7	-83	0	0	0	0	112.6	M196 V197 S200 C202 F204 H265	M196-C217 WeakPolarHBondContact CE-O 3.33Å; V197-C217 HydrophobicContact CB-CB 4.5Å; V197-C217 WeakPolarHBondContact CB-O 3.3Å; V197-C217 HydrophobicContact CG2-CB 3.88Å; V197-C217 WeakPolarHBondContact CG2-O 3.47Å; V197-C217 PolarHBondContact N-O 2.88Å; V197-C217 VanDerWaalsContact N-O 3.14Å; S200-C217 PolarHBondContact O-N 3.06Å; C202-C217 HydrophobicContact CB-CB 4.09Å; C202-C217 WeakPolarHBondContact CB-SG 3.47Å; C202-C217 WeakPolarHBondContact SG-CB 3.42Å; C202-C217 PolarHBondContact SG-N 3.03Å; C202-C217 VanDerWaalsContact SG-N 3.41Å; C202-C217 CovalentContact SG-SG 2.04Å; C202-C217 PolarHBondContact SG-SG 2.78Å; F204-C217 HydrophobicContact CE2-CB 3.89Å; F204-C217 HydrophobicContact CZ-CB 4.37Å; C217-H265 WeakPolarHBondContact CA-O 3.24Å
218	S	88	Confident	70.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.3	175	76.1	0	0	0	0	110.8	V194 R195 L264 H265 Y267	V194-S218 WeakPolarHBondContact CB-OG 3.45Å; R195-S218 CarbonylContact O-C 3.55Å; R195-S218 WeakPolarHBondContact O-CA 3.34Å; R195-S218 VanDerWaalsContact O-CB 3.24Å; R195-S218 WeakPolarHBondContact O-CB 3.37Å; S218-L264 CarbonylContact O-C 3.59Å; S218-L264 VanDerWaalsContact O-CA 3.25Å; S218-L264 WeakPolarHBondContact O-CA 3.05Å; S218-H265 PolarHBondContact N-O 3.46Å; S218-H265 PolarHBondContact O-N 2.96Å; S218-Y267 VanDerWaalsContact OG-CE2 3.25Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.48Å; S218-Y267 PolarHBondContact OG-OH 2.74Å
219	H	81.2	Confident	71.9	Confident	53 Å²	53	56.1 Å²	56.1	25%	0.245	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.8	166.3	-50.2	-104.3	0	0	0	109.9	R195 E262 L264	R195-H219 PolarHBondContact O-N 3.05Å; H219-E262 IonicContact CE1-OE2 3.35Å; H219-E262 PolarHBondContact CE1-OE2 3.01Å; H219-E262 IonicContact CG-OE2 2.76Å; H219-E262 IonicContact ND1-OE2 3.22Å; H219-E262 PolarHBondContact ND1-OE2 2.93Å; H219-L264 HydrophobicContact CB-CD2 4.14Å; H219-L264 WeakPolarHBondContact ND1-CD2 3.14Å
220	H	73.1	Confident	73.5	Confident	16 Å²	16	53.7 Å²	53.7	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	136.8	179	-169.7	62.3	0	0	0	111.5	D192 R222 S263 H265	D192-H220 IonicContact OD1-CE1 3.07Å; H220-R222 PolarHBondContact CD2-O 2.82Å; H220-R222 VanDerWaalsContact CD2-O 3.24Å; H220-S263 WeakPolarHBondContact CA-O 3.44Å; H220-S263 WeakPolarHBondContact CB-O 3.44Å; H220-S263 PolarHBondContact N-O 2.61Å; H220-S263 PolarHBondContact O-OG 2.85Å; H220-H265 AromaticContact CD2-CE1 3.12Å; H220-H265 PolarHBondContact CD2-CE1 2.67Å; H220-H265 AromaticContact CD2-NE2 3.1Å; H220-H265 PolarHBondContact CD2-NE2 2.87Å; H220-H265 AromaticContact CE1-CE1 3.93Å; H220-H265 AromaticContact CG-CE1 3.37Å; H220-H265 AromaticContact CG-ND1 3.96Å; H220-H265 AromaticContact CG-NE2 3.59Å; H220-H265 AromaticContact ND1-CE1 3.87Å; H220-H265 AromaticContact NE2-CE1 3.5Å; H220-H265 PolarHBondContact NE2-CE1 2.79Å; H220-H265 AromaticContact NE2-NE2 3.83Å
221	D	63.5	Low	74.9	Confident	148 Å²	148	53.7 Å²	53.7	79%	0.791	26%	0.262	S	S	*	.	S	Bend	trans	-93.5	4.9	-170	-48.8	-45.8	0	0	0	114
222	R	61.2	Low	76.4	Confident	138 Å²	138	52 Å²	52	52%	0.521	25%	0.248	S	C	.	.			trans	-125.8	137.8	-171.5	-65.2	171.7	149	-174.6	-12.2	112.7	D192 H220 T225	D192-R222 IonicContact OD1-CZ 3.45Å; D192-R222 IonicContact OD1-NE 2.95Å; D192-R222 IonicContact OD1-NH1 3.46Å; D192-R222 PolarHBondContact OD1-NH1 2.97Å; D192-R222 IonicContact OD2-NH1 2.67Å; H220-R222 PolarHBondContact CD2-O 2.82Å; H220-R222 VanDerWaalsContact CD2-O 3.24Å; R222-T225 VanDerWaalsContact O-CG2 3.31Å; R222-T225 WeakPolarHBondContact O-CG2 3.06Å
223	T	55.4	Low	77.7	Confident	122 Å²	122	46.2 Å²	46.2	75%	0.748	22%	0.223	S	C	*	.	S	Bend	trans	-95.8	13	-173.3	49.8	0	0	0	0	115.4
224	E	58	Low	78.8	Confident	97 Å²	97	45.9 Å²	45.9	45%	0.453	22%	0.221	S	C	.	.			trans	-102.4	37.4	-178.5	-74	-149.5	137.8	0	0	114.3	H185 E226 K227	H185-E224 IonicContact CE1-OE2 3.81Å; H185-E224 PolarHBondContact CE1-OE2 3.46Å; H185-E224 IonicContact ND1-OE2 3.06Å; H185-E224 PolarHBondContact ND1-OE2 2.8Å; E224-E226 PolarHBondContact O-N 3.28Å; E224-K227 IonicContact OE1-NZ 2.77Å; E224-K227 PolarHBondContact OE1-NZ 2.95Å; E224-K227 IonicContact OE2-NZ 3.18Å; E224-K227 PolarHBondContact OE2-NZ 2.9Å
225	T	59.1	Low	79.5	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.055	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75	-15.7	-159.7	74.2	0	0	0	0	115.7	R222 K227 S228 Y247 E250 H265	R222-T225 VanDerWaalsContact O-CG2 3.31Å; R222-T225 WeakPolarHBondContact O-CG2 3.06Å; T225-K227 PolarHBondContact O-N 2.96Å; T225-K227 VanDerWaalsContact O-N 3.08Å; T225-S228 WeakPolarHBondContact O-CB 3.4Å; T225-S228 PolarHBondContact O-N 3.41Å; T225-S228 VanDerWaalsContact O-N 3.09Å; T225-Y247 WeakPolarHBondContact CB-OH 3.45Å; T225-Y247 WeakPolarHBondContact O-CE1 3.31Å; T225-Y247 PolarHBondContact O-OH 3.46Å; T225-Y247 PolarHBondContact OG1-OH 2.91Å; T225-Y247 VanDerWaalsContact OG1-OH 3.13Å; T225-E250 WeakPolarHBondContact CB-OE2 3.24Å; T225-E250 HydrophobicContact CG2-CB 4.28Å; T225-E250 HydrophobicContact CG2-CG 4.11Å; T225-E250 WeakPolarHBondContact CG2-OE2 3.42Å; T225-E250 WeakPolarHBondContact OG1-CB 3.03Å; T225-E250 PolarHBondContact OG1-OE2 2.7Å; T225-H265 VanDerWaalsContact CG2-NE2 3.3Å; T225-H265 WeakPolarHBondContact CG2-NE2 3.32Å
226	E	57.2	Low	79.7	Confident	168 Å²	168	41.4 Å²	41.4	79%	0.785	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-52.9	-33.8	178	-74.8	-159.4	140.4	0	0	112.7	E224 S228 L229	E224-E226 PolarHBondContact O-N 3.28Å; E226-S228 PolarHBondContact O-N 3.41Å; E226-L229 WeakPolarHBondContact O-CB 3.47Å; E226-L229 PolarHBondContact O-N 2.73Å
227	K	73.3	Confident	79.5	Confident	60 Å²	60	43.9 Å²	43.9	26%	0.261	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-75.7	-16.5	-172.5	-54.9	171.8	-162.9	169.7	0	112.1	Y184 E224 T225 L229	Y184-K227 VanDerWaalsContact O-CB 3.24Å; Y184-K227 WeakPolarHBondContact O-CB 3.18Å; Y184-K227 VanDerWaalsContact O-CD 3.3Å; Y184-K227 WeakPolarHBondContact O-CD 3.48Å; E224-K227 IonicContact OE1-NZ 2.77Å; E224-K227 PolarHBondContact OE1-NZ 2.95Å; E224-K227 IonicContact OE2-NZ 3.18Å; E224-K227 PolarHBondContact OE2-NZ 2.9Å; T225-K227 PolarHBondContact O-N 2.96Å; T225-K227 VanDerWaalsContact O-N 3.08Å; K227-L229 VanDerWaalsContact C-N 3.34Å
228	S	82.3	Confident	79.2	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.021	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-83.5	-6.7	179	-45.6	0	0	0	0	113.2	T183 T225 E226 G230 G231 Y247	T183-S228 WeakPolarHBondContact CB-OG 3.22Å; T183-S228 WeakPolarHBondContact CG2-OG 3.19Å; T225-S228 WeakPolarHBondContact O-CB 3.4Å; T225-S228 PolarHBondContact O-N 3.41Å; T225-S228 VanDerWaalsContact O-N 3.09Å; E226-S228 PolarHBondContact O-N 3.41Å; S228-G230 PolarHBondContact O-N 2.88Å; S228-G231 WeakPolarHBondContact O-CA 3.12Å; S228-G231 PolarHBondContact O-N 2.95Å; S228-Y247 VanDerWaalsContact O-CD1 3.26Å; S228-Y247 WeakPolarHBondContact O-CD1 3.31Å
229	L	90.5	Very high	78.9	Confident	29 Å²	29	57.4 Å²	57.4	15%	0.152	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	123.1	-173.8	-175.1	63.8	0	0	0	112.7	C64 L65 A88 E226 K227 G231 L248	C64-L229 CarbonylContact C-O 3.55Å; C64-L229 WeakPolarHBondContact CA-O 3.38Å; C64-L229 WeakPolarHBondContact CB-O 3.19Å; L65-L229 PolarHBondContact N-O 2.62Å; A88-L229 HydrophobicContact CB-CD1 3.98Å; A88-L229 HydrophobicContact CB-CG 4.31Å; E226-L229 WeakPolarHBondContact O-CB 3.47Å; E226-L229 PolarHBondContact O-N 2.73Å; K227-L229 VanDerWaalsContact C-N 3.34Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-L248 VanDerWaalsContact CD1-O 3.26Å; L229-L248 WeakPolarHBondContact CD1-O 3.32Å
230	G	92.9	Very high	79.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-1.9	-176.5	0	0	0	0	0	115.4	L65 G66 S228 Y247	L65-G230 CarbonylContact C-O 3.56Å; L65-G230 CarbonylContact O-C 3.12Å; G66-G230 WeakPolarHBondContact CA-O 3.44Å; S228-G230 PolarHBondContact O-N 2.88Å; G230-Y247 PolarHBondContact N-O 3.09Å
231	G	93.2	Very high	80.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.			trans	-62	142.9	175.4	0	0	0	0	0	112.3	S228 L229 V246 Y247	S228-G231 WeakPolarHBondContact O-CA 3.12Å; S228-G231 PolarHBondContact O-N 2.95Å; L229-G231 VanDerWaalsContact C-N 3.31Å; G231-V246 WeakPolarHBondContact O-CA 3.32Å; G231-Y247 PolarHBondContact O-N 2.95Å
232	P	95.7	Very high	81.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	137.1	178.6	33	-36.5	0	0	0	111.7	V181 S182 V234 Q243	V181-P232 WeakPolarHBondContact CA-O 3.35Å; S182-P232 WeakPolarHBondContact OG-CD 3.19Å; S182-P232 WeakPolarHBondContact OG-CG 3.35Å; P232-V234 HydrophobicContact CB-CG2 3.73Å; P232-V234 HydrophobicContact CG-CG2 4.03Å; P232-Q243 HydrophobicContact CB-CG 4Å
233	L	94.3	Very high	83.1	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.3	160.7	174.4	67	0	0	0	108.1	C179 V194 M196 L216 Q243 Y244 G245 Y267	C179-L233 HydrophobicContact CB-CD1 4.17Å; V194-L233 HydrophobicContact CG2-CD1 3.71Å; M196-L233 HydrophobicContact CE-CD2 3.89Å; M196-L233 HydrophobicContact SD-CD1 3.98Å; M196-L233 HydrophobicContact SD-CD2 4.03Å; L216-L233 HydrophobicContact CB-CD2 4.19Å; L216-L233 HydrophobicContact CD1-CD2 4.13Å; L233-Q243 CarbonylContact O-C 3.57Å; L233-Q243 WeakPolarHBondContact O-CA 3.46Å; L233-Q243 WeakPolarHBondContact O-CG 3.3Å; L233-Y244 PolarHBondContact O-N 2.73Å; L233-G245 PolarHBondContact N-O 2.85Å; L233-G245 PolarHBondContact O-N 2.87Å; L233-Y267 HydrophobicContact CB-CD1 3.56Å; L233-Y267 HydrophobicContact CB-CE1 3.85Å; L233-Y267 HydrophobicContact CB-CG 3.93Å; L233-Y267 HydrophobicContact CD1-CE1 4.17Å; L233-Y267 HydrophobicContact CD1-CE2 4.23Å; L233-Y267 HydrophobicContact CD2-CD1 4.29Å; L233-Y267 HydrophobicContact CD2-CD2 3.79Å; L233-Y267 HydrophobicContact CD2-CE2 4.2Å; L233-Y267 HydrophobicContact CD2-CG 3.84Å; L233-Y267 HydrophobicContact CG-CD1 4.34Å; L233-Y267 HydrophobicContact CG-CE1 4.43Å; L233-Y267 HydrophobicContact CG-CG 4.38Å
234	V	94	Very high	84.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.3	-176.1	-176.3	0	0	0	0	109.5	W51 V164 C179 F180 P232 A241 Y242 Q243	W51-V234 HydrophobicContact CZ2-CG1 4.21Å; V164-V234 HydrophobicContact CG2-CG1 3.77Å; V164-V234 HydrophobicContact CG2-CG2 4.05Å; C179-V234 CarbonylContact C-O 3.58Å; C179-V234 VanDerWaalsContact CA-O 3.25Å; C179-V234 WeakPolarHBondContact CA-O 3.47Å; F180-V234 HydrophobicContact CD2-CB 4.07Å; F180-V234 HydrophobicContact CE1-CG1 4.35Å; F180-V234 HydrophobicContact CE2-CB 3.46Å; F180-V234 VanDerWaalsContact CE2-CB 3.46Å; F180-V234 HydrophobicContact CE2-CG1 3.71Å; F180-V234 HydrophobicContact CE2-CG2 4.2Å; F180-V234 HydrophobicContact CZ-CB 3.74Å; F180-V234 HydrophobicContact CZ-CG1 3.5Å; F180-V234 VanDerWaalsContact CZ-CG1 3.5Å; F180-V234 PolarHBondContact N-O 2.75Å; F180-V234 PolarHBondContact O-N 2.78Å; P232-V234 HydrophobicContact CB-CG2 3.73Å; P232-V234 HydrophobicContact CG-CG2 4.03Å; V234-A241 HydrophobicContact CG1-CB 3.75Å; V234-Y242 CarbonylContact C-O 3.55Å; V234-Y242 WeakPolarHBondContact CA-O 3.19Å; V234-Q243 HydrophobicContact CG2-CB 4.29Å; V234-Q243 HydrophobicContact CG2-CG 4.39Å
235	C	92.5	Very high	86.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145	179.5	-53.8	0	0	0	0	110.8	P173 K178 C179 L237 Y242 Y244	P173-C235 HydrophobicContact CB-CB 4.4Å; K178-C235 CarbonylContact O-C 3.3Å; K178-C235 WeakPolarHBondContact O-CA 3.37Å; C179-C235 HydrophobicContact CB-CB 4.09Å; C179-C235 WeakPolarHBondContact CB-SG 3.12Å; C179-C235 WeakPolarHBondContact SG-CB 3.23Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 3.23Å; C235-L237 HydrophobicContact CB-CD1 4.41Å; C235-Y242 PolarHBondContact N-O 2.83Å; C235-Y242 PolarHBondContact O-N 2.77Å; C235-Y244 HydrophobicContact CB-CD2 3.97Å; C235-Y244 HydrophobicContact CB-CE2 4Å
236	L	89.6	Confident	88.2	Confident	26 Å²	26	33.4 Å²	33.4	14%	0.136	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.4	177.3	-56.3	-172.6	0	0	0	111.1	I38 L42 K178 F180 K240 A241	I38-L236 HydrophobicContact CD1-CD2 4.29Å; I38-L236 HydrophobicContact CG2-CD2 3.76Å; L42-L236 HydrophobicContact CD1-CD1 3.79Å; K178-L236 PolarHBondContact O-N 3.2Å; F180-L236 HydrophobicContact CE1-CD2 3.89Å; F180-L236 HydrophobicContact CE1-CG 4.12Å; F180-L236 HydrophobicContact CZ-CD2 4.28Å; L236-K240 WeakPolarHBondContact CA-O 3.32Å; L236-A241 HydrophobicContact CD2-CB 4.1Å
237	L	85.5	Confident	89.9	Confident	53 Å²	53	25.6 Å²	25.6	28%	0.277	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.9	168.7	-67.9	93.9	0	0	0	109.2	C235 G239 K240 Y242 Y244	C235-L237 HydrophobicContact CB-CD1 4.41Å; L237-G239 VanDerWaalsContact C-N 3.3Å; L237-G239 PolarHBondContact O-N 3.29Å; L237-K240 PolarHBondContact N-O 3.39Å; L237-K240 WeakPolarHBondContact O-CB 3.3Å; L237-K240 PolarHBondContact O-N 2.91Å; L237-Y242 HydrophobicContact CB-CD2 4.11Å; L237-Y242 HydrophobicContact CB-CE2 4.26Å; L237-Y242 HydrophobicContact CD1-CD2 3.91Å; L237-Y242 HydrophobicContact CD1-CG 4.37Å; L237-Y244 HydrophobicContact CD1-CE2 3.72Å
238	K	82.3	Confident	90.7	Very high	222 Å²	222	22.7 Å²	22.7	97%	0.965	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	46.1	-179.4	-58	-173.4	177.7	-173.7	0	113.4	K240	K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 PolarHBondContact O-N 3.36Å
239	G	81.3	Confident	90.9	Very high	61 Å²	61	23 Å²	23	63%	0.629	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	7.4	179.5	0	0	0	0	0	115.7	I38 L237	I38-G239 WeakPolarHBondContact CD1-O 3.09Å; L237-G239 VanDerWaalsContact C-N 3.3Å; L237-G239 PolarHBondContact O-N 3.29Å
240	K	88.5	Confident	90.5	Very high	25 Å²	25	23.5 Å²	23.5	11%	0.109	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	-173.2	-176.6	166.1	-174	146.9	0	112.2	S25 C27 E29 C165 L236 L237 K238 Y242	S25-K240 WeakPolarHBondContact O-CE 3.46Å; S25-K240 PolarHBondContact O-NZ 2.77Å; S25-K240 PolarHBondContact OG-NZ 3.39Å; C27-K240 WeakPolarHBondContact O-CE 3.39Å; E29-K240 HydrophobicContact CG-CB 4.49Å; E29-K240 HydrophobicContact CG-CD 4.26Å; E29-K240 HydrophobicContact CG-CG 4.08Å; E29-K240 WeakPolarHBondContact OE2-CD 3.39Å; E29-K240 VanDerWaalsContact OE2-CE 3.29Å; E29-K240 WeakPolarHBondContact OE2-CE 3.4Å; E29-K240 IonicContact OE2-NZ 3.29Å; E29-K240 PolarHBondContact OE2-NZ 3.07Å; C165-K240 WeakPolarHBondContact SG-CE 3.48Å; L236-K240 WeakPolarHBondContact CA-O 3.32Å; L237-K240 PolarHBondContact N-O 3.39Å; L237-K240 WeakPolarHBondContact O-CB 3.3Å; L237-K240 PolarHBondContact O-N 2.91Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 PolarHBondContact O-N 3.36Å; K240-Y242 HydrophobicContact CB-CE2 4.02Å; K240-Y242 HydrophobicContact CD-CE2 4.07Å; K240-Y242 HydrophobicContact CG-CD2 4.43Å; K240-Y242 HydrophobicContact CG-CE2 3.77Å; K240-Y242 WeakPolarHBondContact O-CD2 3.34Å
241	A	91.9	Very high	89.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.9	-175.5	0	0	0	0	0	113.1	G28 I38 W51 V164 C165 V234 L236	G28-A241 WeakPolarHBondContact CA-O 2.97Å; G28-A241 PolarHBondContact O-N 3.49Å; I38-A241 HydrophobicContact CD1-CB 4.06Å; W51-A241 HydrophobicContact CH2-CB 3.28Å; W51-A241 HydrophobicContact CZ2-CB 3.74Å; W51-A241 HydrophobicContact CZ3-CB 3.95Å; V164-A241 HydrophobicContact CG2-CB 4.19Å; C165-A241 WeakPolarHBondContact CB-O 3.33Å; C165-A241 PolarHBondContact N-O 3.04Å; V234-A241 HydrophobicContact CG1-CB 3.75Å; L236-A241 HydrophobicContact CD2-CB 4.1Å
242	Y	92.6	Very high	88.5	Confident	48 Å²	48	27.7 Å²	27.7	19%	0.188	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.6	176.3	-71.8	-90.1	0	0	0	111.2	C165 K167 V234 C235 L237 K240 Y244	C165-Y242 HydrophobicContact CB-CD1 3.55Å; C165-Y242 HydrophobicContact CB-CE1 3.69Å; C165-Y242 HydrophobicContact CB-CG 4.21Å; C165-Y242 CarbonylContact O-C 3.44Å; C165-Y242 WeakPolarHBondContact O-CA 3.18Å; K167-Y242 HydrophobicContact CD-CD1 3.89Å; K167-Y242 HydrophobicContact CD-CE1 4.34Å; K167-Y242 HydrophobicContact CD-CG 4.47Å; V234-Y242 CarbonylContact C-O 3.55Å; V234-Y242 WeakPolarHBondContact CA-O 3.19Å; C235-Y242 PolarHBondContact N-O 2.83Å; C235-Y242 PolarHBondContact O-N 2.77Å; L237-Y242 HydrophobicContact CB-CD2 4.11Å; L237-Y242 HydrophobicContact CB-CE2 4.26Å; L237-Y242 HydrophobicContact CD1-CD2 3.91Å; L237-Y242 HydrophobicContact CD1-CG 4.37Å; K240-Y242 HydrophobicContact CB-CE2 4.02Å; K240-Y242 HydrophobicContact CD-CE2 4.07Å; K240-Y242 HydrophobicContact CG-CD2 4.43Å; K240-Y242 HydrophobicContact CG-CE2 3.77Å; K240-Y242 WeakPolarHBondContact O-CD2 3.34Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.47Å
243	Q	94.4	Very high	86.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.7	169.5	-169.7	-177	4.2	0	0	110.8	S67 V164 C165 K167 P232 L233 V234 G245 V270	S67-Q243 PolarHBondContact OG-NE2 2.98Å; S67-Q243 PolarHBondContact OG-OE1 3.46Å; S67-Q243 VanDerWaalsContact OG-OE1 3.14Å; V164-Q243 HydrophobicContact CG1-CB 3.82Å; V164-Q243 HydrophobicContact CG2-CB 4.12Å; C165-Q243 PolarHBondContact O-N 3.33Å; K167-Q243 PolarHBondContact N-O 2.93Å; P232-Q243 HydrophobicContact CB-CG 4Å; L233-Q243 CarbonylContact O-C 3.57Å; L233-Q243 WeakPolarHBondContact O-CA 3.46Å; L233-Q243 WeakPolarHBondContact O-CG 3.3Å; V234-Q243 HydrophobicContact CG2-CB 4.29Å; V234-Q243 HydrophobicContact CG2-CG 4.39Å; Q243-G245 WeakPolarHBondContact CG-O 3.4Å; Q243-G245 PolarHBondContact NE2-O 2.87Å; Q243-V270 HydrophobicContact CG-CG1 3.92Å
244	Y	92.9	Very high	84.6	Confident	6 Å²	6	29.5 Å²	29.5	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-31.2	179.4	-82.2	-92.4	0	0	0	112.4	K167 A171 I172 P173 L216 L233 C235 L237 Y242 H269 V270	K167-Y244 HydrophobicContact CB-CD1 4.19Å; K167-Y244 HydrophobicContact CB-CE1 4.05Å; K167-Y244 HydrophobicContact CG-CD1 4.46Å; K167-Y244 HydrophobicContact CG-CE1 3.86Å; A171-Y244 HydrophobicContact CB-CE1 4.2Å; A171-Y244 VanDerWaalsContact O-CD1 3.26Å; A171-Y244 WeakPolarHBondContact O-CD1 3.34Å; I172-Y244 WeakPolarHBondContact O-CE1 3.27Å; P173-Y244 HydrophobicContact CB-CD1 4.11Å; P173-Y244 HydrophobicContact CB-CD2 4.18Å; P173-Y244 HydrophobicContact CB-CE1 4.07Å; P173-Y244 HydrophobicContact CB-CE2 4.17Å; P173-Y244 HydrophobicContact CB-CG 4.15Å; P173-Y244 HydrophobicContact CG-CD1 4.26Å; P173-Y244 HydrophobicContact CG-CG 4.34Å; P173-Y244 VanDerWaalsContact N-CE1 3.3Å; L216-Y244 HydrophobicContact CD1-CD1 4.46Å; L233-Y244 PolarHBondContact O-N 2.73Å; C235-Y244 HydrophobicContact CB-CD2 3.97Å; C235-Y244 HydrophobicContact CB-CE2 4Å; L237-Y244 HydrophobicContact CD1-CE2 3.72Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.47Å; Y244-H269 AromaticContact CD1-NE2 3.93Å; Y244-V270 PolarHBondContact O-N 2.91Å
245	G	92.8	Very high	82.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-179.8	-178.5	0	0	0	0	0	115	L233 Q243 G268	L233-G245 PolarHBondContact N-O 2.85Å; L233-G245 PolarHBondContact O-N 2.87Å; Q243-G245 WeakPolarHBondContact CG-O 3.4Å; Q243-G245 PolarHBondContact NE2-O 2.87Å; G245-G268 CarbonylContact C-O 3.58Å; G245-G268 WeakPolarHBondContact CA-O 3.39Å
246	V	94.6	Very high	79.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126	171.1	176	0	0	0	0	107.9	L86 A88 I146 G231 L248 Y267 G268	L86-V246 HydrophobicContact CD2-CG2 4.34Å; L86-V246 HydrophobicContact CG-CG2 3.84Å; A88-V246 HydrophobicContact CB-CG1 4.46Å; I146-V246 HydrophobicContact CG2-CB 4.24Å; I146-V246 HydrophobicContact CG2-CG2 3.89Å; G231-V246 WeakPolarHBondContact O-CA 3.32Å; V246-L248 HydrophobicContact CG1-CD2 4.1Å; V246-L248 WeakPolarHBondContact O-CG 3.33Å; V246-L248 PolarHBondContact O-N 2.85Å; V246-Y267 CarbonylContact O-C 3.51Å; V246-Y267 VanDerWaalsContact O-CA 3.25Å; V246-Y267 WeakPolarHBondContact O-CA 3.28Å; V246-G268 PolarHBondContact N-O 3.04Å; V246-G268 PolarHBondContact O-N 3.49Å
247	Y	93.5	Very high	77.2	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.3	-179.9	176.5	-99.3	0	0	0	111.4	T225 S228 G230 G231 S249 E250 H265 Y267	T225-Y247 WeakPolarHBondContact CB-OH 3.45Å; T225-Y247 WeakPolarHBondContact O-CE1 3.31Å; T225-Y247 PolarHBondContact O-OH 3.46Å; T225-Y247 PolarHBondContact OG1-OH 2.91Å; T225-Y247 VanDerWaalsContact OG1-OH 3.13Å; S228-Y247 VanDerWaalsContact O-CD1 3.26Å; S228-Y247 WeakPolarHBondContact O-CD1 3.31Å; G230-Y247 PolarHBondContact N-O 3.09Å; G231-Y247 PolarHBondContact O-N 2.95Å; Y247-S249 VanDerWaalsContact CE2-C 3.46Å; Y247-S249 VanDerWaalsContact CE2-O 3.28Å; Y247-S249 WeakPolarHBondContact CE2-O 3.41Å; Y247-S249 VanDerWaalsContact CZ-C 3.46Å; Y247-S249 VanDerWaalsContact OH-C 3.23Å; Y247-E250 PolarHBondContact OH-N 3.04Å; Y247-H265 HydrophobicContact CD2-CB 3.83Å; Y247-H265 AromaticContact CD2-CG 3.87Å; Y247-H265 HydrophobicContact CE2-CB 3.71Å; Y247-H265 AromaticContact CE2-CD2 3.56Å; Y247-H265 AromaticContact CE2-CG 3.48Å; Y247-H265 VanDerWaalsContact CE2-CG 3.48Å; Y247-H265 AromaticContact CE2-ND1 3.9Å; Y247-H265 AromaticContact CE2-NE2 3.98Å; Y247-Y267 HydrophobicContact CD2-CD1 4.2Å; Y247-Y267 AromaticContact CD2-CE1 3.91Å; Y247-Y267 HydrophobicContact CD2-CE1 3.91Å; Y247-Y267 HydrophobicContact CG-CD1 4.45Å; Y247-Y267 HydrophobicContact CG-CE1 4.29Å
248	L	89.9	Confident	75	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-31.5	-176.8	-53.6	-174.9	0	0	0	113.9	A88 Y135 G145 L229 V246 F266	A88-L248 HydrophobicContact CB-CD2 3.47Å; A88-L248 VanDerWaalsContact CB-CD2 3.47Å; Y135-L248 HydrophobicContact CD2-CD1 3.86Å; Y135-L248 HydrophobicContact CE2-CD1 3.51Å; G145-L248 VanDerWaalsContact O-CD2 3.29Å; G145-L248 WeakPolarHBondContact O-CD2 3.36Å; L229-L248 VanDerWaalsContact CD1-O 3.26Å; L229-L248 WeakPolarHBondContact CD1-O 3.32Å; V246-L248 HydrophobicContact CG1-CD2 4.1Å; V246-L248 WeakPolarHBondContact O-CG 3.33Å; V246-L248 PolarHBondContact O-N 2.85Å; L248-F266 HydrophobicContact CB-CD1 4.22Å; L248-F266 HydrophobicContact CD1-CD1 4.29Å; L248-F266 HydrophobicContact CD1-CE1 4.09Å; L248-F266 PolarHBondContact N-O 3.22Å
249	S	86.5	Confident	73	Confident	8 Å²	8	33.8 Å²	33.8	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	155.5	179.3	-170.3	0	0	0	0	110.5	N139 Y247 F266	N139-S249 PolarHBondContact ND2-OG 3.18Å; Y247-S249 VanDerWaalsContact CE2-C 3.46Å; Y247-S249 VanDerWaalsContact CE2-O 3.28Å; Y247-S249 WeakPolarHBondContact CE2-O 3.41Å; Y247-S249 VanDerWaalsContact CZ-C 3.46Å; Y247-S249 VanDerWaalsContact OH-C 3.23Å; S249-F266 WeakPolarHBondContact O-CB 3.1Å; S249-F266 PolarHBondContact O-N 2.78Å
250	E	82.9	Confident	71.3	Confident	41 Å²	41	37.2 Å²	37.2	19%	0.192	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.7	159.4	-172.8	178.5	163.8	0	0	108.4	T225 Y247 S263 L264	T225-E250 WeakPolarHBondContact CB-OE2 3.24Å; T225-E250 HydrophobicContact CG2-CB 4.28Å; T225-E250 HydrophobicContact CG2-CG 4.11Å; T225-E250 WeakPolarHBondContact CG2-OE2 3.42Å; T225-E250 WeakPolarHBondContact OG1-CB 3.03Å; T225-E250 PolarHBondContact OG1-OE2 2.7Å; Y247-E250 PolarHBondContact OH-N 3.04Å; E250-S263 WeakPolarHBondContact OE1-CB 3.32Å; E250-L264 WeakPolarHBondContact CA-O 3.24Å
251	L	75	Confident	69.5	Low	8 Å²	8	42 Å²	42	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	103.8	160.7	-56.5	174.4	0	0	0	104.8	I142 F207 L210 T253 L264 F266	I142-L251 HydrophobicContact CD1-CD2 4.01Å; F207-L251 HydrophobicContact CD2-CD1 4.06Å; F207-L251 HydrophobicContact CE1-CD2 4.02Å; F207-L251 HydrophobicContact CE2-CB 3.9Å; F207-L251 HydrophobicContact CE2-CD1 3.89Å; F207-L251 HydrophobicContact CE2-CD2 4.4Å; F207-L251 HydrophobicContact CE2-CG 4.28Å; F207-L251 HydrophobicContact CZ-CB 3.81Å; F207-L251 HydrophobicContact CZ-CD1 4.27Å; F207-L251 HydrophobicContact CZ-CD2 3.94Å; F207-L251 HydrophobicContact CZ-CG 4.21Å; L210-L251 HydrophobicContact CD1-CD1 3.55Å; L210-L251 HydrophobicContact CD1-CD2 3.91Å; L210-L251 HydrophobicContact CD1-CG 4.39Å; L251-T253 PolarHBondContact O-N 2.91Å; L251-L264 CarbonylContact C-O 3.55Å; L251-L264 HydrophobicContact CB-CB 4.29Å; L251-L264 PolarHBondContact N-O 2.81Å; L251-L264 CarbonylContact O-C 3.57Å; L251-L264 WeakPolarHBondContact O-CA 3.45Å; L251-L264 WeakPolarHBondContact O-CB 3.18Å; L251-L264 PolarHBondContact O-N 3.13Å; L251-L264 VanDerWaalsContact O-O 3.07Å; L251-F266 HydrophobicContact CD1-CB 3.89Å; L251-F266 HydrophobicContact CD1-CD2 4.03Å; L251-F266 HydrophobicContact CD1-CG 4.37Å; L251-F266 HydrophobicContact CD2-CB 4.34Å; L251-F266 HydrophobicContact CG-CB 3.86Å
252	I	68.2	Low	68.1	Low	79 Å²	79	45.3 Å²	45.3	41%	0.405	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.5	162.1	-61.7	168.6	0	0	0	106.6	E1005 Y1006	I252-E1005 WeakPolarHBondContact O-CG 3.44Å; I252-E1005 VanDerWaalsContact O-OE2 3.11Å; I252-Y1006 HydrophobicContact CG2-CE2 4.03Å
253	T	56.7	Low	67.1	Low	12 Å²	12	43.6 Å²	43.6	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.6	163.2	57.6	0	0	0	0	109.9	F207 L251 E262 L264 E1005	F207-T253 HydrophobicContact CE2-CG2 3.95Å; L251-T253 PolarHBondContact O-N 2.91Å; T253-E262 PolarHBondContact N-O 3.01Å; T253-E262 PolarHBondContact O-N 2.65Å; T253-E262 VanDerWaalsContact O-O 3.12Å; T253-E262 PolarHBondContact OG1-O 3.31Å; T253-L264 HydrophobicContact CG2-CD1 3.56Å; T253-L264 HydrophobicContact CG2-CG 3.91Å; T253-E1005 WeakPolarHBondContact CA-OE1 3.24Å; T253-E1005 VanDerWaalsContact CA-OE2 3.26Å; T253-E1005 WeakPolarHBondContact CA-OE2 3.35Å
254	K	52.2	Low	66.4	Low	27 Å²	27	43.7 Å²	43.7	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.3	163	-86.4	173.5	165.2	166.1	0	108.9	Y866 E1005 Y1006 K1079	K254-Y866 PolarHBondContact NZ-O 3.07Å; K254-E1005 PolarHBondContact N-OE2 2.91Å; K254-Y1006 HydrophobicContact CD-CE1 4.26Å; K254-Y1006 HydrophobicContact CD-CE2 4.49Å; K254-Y1006 VanDerWaalsContact CE-CE1 3.48Å; K254-Y1006 VanDerWaalsContact CE-OH 3.29Å; K254-Y1006 WeakPolarHBondContact CE-OH 3.38Å; K254-Y1006 HydrophobicContact CG-CE2 4.41Å; K254-Y1006 WeakPolarHBondContact CG-OH 3.42Å; K254-K1079 HydrophobicContact CB-CD 3.81Å; K254-K1079 HydrophobicContact CB-CG 4.45Å; K254-K1079 HydrophobicContact CD-CB 3.99Å; K254-K1079 HydrophobicContact CD-CD 3.73Å; K254-K1079 HydrophobicContact CD-CG 3.94Å; K254-K1079 HydrophobicContact CG-CD 4.43Å; K254-K1079 PolarHBondContact O-NZ 2.85Å
255	G	43.5	Very low	66.2	Low	17 Å²	17	43.4 Å²	43.4	18%	0.175	26%	0.263	C	S	.	.			trans	-63.2	170.2	173.5	0	0	0	0	0	112.6	S257 Q260	G255-S257 PolarHBondContact O-N 3.2Å; G255-S257 VanDerWaalsContact O-N 3.09Å; G255-Q260 PolarHBondContact N-O 3.02Å
256	A	39.4	Very low	66	Low	107 Å²	107	43.4 Å²	43.4	88%	0.884	26%	0.263	S	S	*	.	S	Bend	trans	-76.9	15.7	-177.1	0	0	0	0	0	114.6
257	S	37.6	Very low	65.8	Low	74 Å²	74	43.4 Å²	43.4	52%	0.517	26%	0.263	S	S	.	.	S	Bend	trans	-145.1	132.3	174.2	-174	0	0	0	0	109.5	G255 S259 Q260	G255-S257 PolarHBondContact O-N 3.2Å; G255-S257 VanDerWaalsContact O-N 3.09Å; S257-S259 PolarHBondContact O-N 2.88Å; S257-Q260 PolarHBondContact O-N 3.34Å
258	A	39.4	Very low	65.7	Low	89 Å²	89	43.2 Å²	43.2	74%	0.736	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	2	-159.3	0	0	0	0	0	116.2
259	S	40	Very low	65.7	Low	104 Å²	104	43.3 Å²	43.3	73%	0.727	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.3	-179.8	55.1	0	0	0	0	114.8	S257	S257-S259 PolarHBondContact O-N 2.88Å
260	Q	44.2	Very low	65.9	Low	133 Å²	133	43 Å²	43	62%	0.621	26%	0.26	S	S	*	.			trans	-122	117.7	-179.6	-74.2	-179.9	-64	0	0	112.7	G255 S257	G255-Q260 PolarHBondContact N-O 3.02Å; S257-Q260 PolarHBondContact O-N 3.34Å
261	K	51.8	Low	66.1	Low	124 Å²	124	41.5 Å²	41.5	54%	0.539	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.5	161.4	-62.2	177.3	-179.1	-179.7	0	107.7	E865	K261-E865 WeakPolarHBondContact CE-OE2 3.23Å; K261-E865 IonicContact NZ-OE1 2.72Å; K261-E865 PolarHBondContact NZ-OE1 3.26Å; K261-E865 IonicContact NZ-OE2 2.84Å; K261-E865 PolarHBondContact NZ-OE2 3.34Å
262	E	62.7	Low	66.4	Low	71 Å²	71	41.7 Å²	41.7	33%	0.332	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.6	173.2	-69.7	-167.3	-174.2	0	0	109.8	H219 T253 L264	H219-E262 IonicContact CE1-OE2 3.35Å; H219-E262 PolarHBondContact CE1-OE2 3.01Å; H219-E262 IonicContact CG-OE2 2.76Å; H219-E262 IonicContact ND1-OE2 3.22Å; H219-E262 PolarHBondContact ND1-OE2 2.93Å; T253-E262 PolarHBondContact N-O 3.01Å; T253-E262 PolarHBondContact O-N 2.65Å; T253-E262 VanDerWaalsContact O-O 3.12Å; T253-E262 PolarHBondContact OG1-O 3.31Å; E262-L264 HydrophobicContact CB-CD2 4.47Å; E262-L264 PolarHBondContact O-N 3.43Å
263	S	70.4	Confident	67.2	Low	12 Å²	12	38 Å²	38	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	101.7	167.5	26.7	0	0	0	0	109.2	H220 E250	H220-S263 WeakPolarHBondContact CA-O 3.44Å; H220-S263 WeakPolarHBondContact CB-O 3.44Å; H220-S263 PolarHBondContact N-O 2.61Å; H220-S263 PolarHBondContact O-OG 2.85Å; E250-S263 WeakPolarHBondContact OE1-CB 3.32Å
264	L	80.6	Confident	68.4	Low	2 Å²	2	40 Å²	40	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	152.7	169.5	-54.4	-174	0	0	0	110.5	V197 F204 S218 H219 E250 L251 T253 E262	V197-L264 HydrophobicContact CG2-CD2 4.4Å; F204-L264 HydrophobicContact CD2-CD1 4.22Å; F204-L264 HydrophobicContact CE1-CD1 4.13Å; F204-L264 HydrophobicContact CE2-CD1 3.37Å; F204-L264 HydrophobicContact CZ-CD1 3.29Å; S218-L264 CarbonylContact O-C 3.59Å; S218-L264 VanDerWaalsContact O-CA 3.25Å; S218-L264 WeakPolarHBondContact O-CA 3.05Å; H219-L264 HydrophobicContact CB-CD2 4.14Å; H219-L264 WeakPolarHBondContact ND1-CD2 3.14Å; E250-L264 WeakPolarHBondContact CA-O 3.24Å; L251-L264 CarbonylContact C-O 3.55Å; L251-L264 HydrophobicContact CB-CB 4.29Å; L251-L264 PolarHBondContact N-O 2.81Å; L251-L264 CarbonylContact O-C 3.57Å; L251-L264 WeakPolarHBondContact O-CA 3.45Å; L251-L264 WeakPolarHBondContact O-CB 3.18Å; L251-L264 PolarHBondContact O-N 3.13Å; L251-L264 VanDerWaalsContact O-O 3.07Å; T253-L264 HydrophobicContact CG2-CD1 3.56Å; T253-L264 HydrophobicContact CG2-CG 3.91Å; E262-L264 HydrophobicContact CB-CD2 4.47Å; E262-L264 PolarHBondContact O-N 3.43Å
265	H	87.6	Confident	69.4	Low	0 Å²	0	41.1 Å²	41.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.2	173	-78.7	-176.7	0	0	0	111	C217 S218 H220 T225 Y247 Y267	C217-H265 WeakPolarHBondContact CA-O 3.24Å; S218-H265 PolarHBondContact N-O 3.46Å; S218-H265 PolarHBondContact O-N 2.96Å; H220-H265 AromaticContact CD2-CE1 3.12Å; H220-H265 PolarHBondContact CD2-CE1 2.67Å; H220-H265 AromaticContact CD2-NE2 3.1Å; H220-H265 PolarHBondContact CD2-NE2 2.87Å; H220-H265 AromaticContact CE1-CE1 3.93Å; H220-H265 AromaticContact CG-CE1 3.37Å; H220-H265 AromaticContact CG-ND1 3.96Å; H220-H265 AromaticContact CG-NE2 3.59Å; H220-H265 AromaticContact ND1-CE1 3.87Å; H220-H265 AromaticContact NE2-CE1 3.5Å; H220-H265 PolarHBondContact NE2-CE1 2.79Å; H220-H265 AromaticContact NE2-NE2 3.83Å; T225-H265 VanDerWaalsContact CG2-NE2 3.3Å; T225-H265 WeakPolarHBondContact CG2-NE2 3.32Å; Y247-H265 HydrophobicContact CD2-CB 3.83Å; Y247-H265 AromaticContact CD2-CG 3.87Å; Y247-H265 HydrophobicContact CE2-CB 3.71Å; Y247-H265 AromaticContact CE2-CD2 3.56Å; Y247-H265 AromaticContact CE2-CG 3.48Å; Y247-H265 VanDerWaalsContact CE2-CG 3.48Å; Y247-H265 AromaticContact CE2-ND1 3.9Å; Y247-H265 AromaticContact CE2-NE2 3.98Å; H265-Y267 HydrophobicContact CB-CD2 4.36Å; H265-Y267 HydrophobicContact CB-CE1 4.26Å; H265-Y267 HydrophobicContact CB-CE2 3.48Å; H265-Y267 VanDerWaalsContact CB-CE2 3.48Å; H265-Y267 VanDerWaalsContact CB-CZ 3.42Å; H265-Y267 VanDerWaalsContact CB-OH 3.27Å; H265-Y267 WeakPolarHBondContact CB-OH 3.33Å; H265-Y267 PolarHBondContact ND1-OH 2.89Å; H265-Y267 WeakPolarHBondContact O-CD2 3.3Å; H265-Y267 VanDerWaalsContact O-CE2 3.31Å; H265-Y267 WeakPolarHBondContact O-CE2 3.35Å
266	F	88.6	Confident	70.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.4	172	-174	-103.8	0	0	0	111.6	Y135 I142 C202 L210 T213 L248 S249 L251	Y135-F266 HydrophobicContact CD2-CE1 4.24Å; Y135-F266 HydrophobicContact CE2-CE1 4.06Å; Y135-F266 HydrophobicContact CE2-CZ 4.47Å; I142-F266 HydrophobicContact CD1-CB 4.42Å; I142-F266 HydrophobicContact CD1-CD1 3.95Å; I142-F266 HydrophobicContact CD1-CE1 4.5Å; I142-F266 HydrophobicContact CD1-CG 4.19Å; I142-F266 HydrophobicContact CG1-CD1 4.08Å; I142-F266 HydrophobicContact CG2-CD1 4.14Å; I142-F266 HydrophobicContact CG2-CE1 3.79Å; C202-F266 HydrophobicContact CB-CD2 4.12Å; C202-F266 HydrophobicContact CB-CE2 3.99Å; C202-F266 WeakPolarHBondContact SG-CD2 3.14Å; C202-F266 VanDerWaalsContact SG-CE2 3.55Å; L210-F266 HydrophobicContact CB-CE2 4.14Å; L210-F266 HydrophobicContact CD1-CD2 3.77Å; L210-F266 HydrophobicContact CD1-CE2 3.87Å; L210-F266 HydrophobicContact CD2-CD2 4.4Å; L210-F266 HydrophobicContact CD2-CE1 4.46Å; L210-F266 HydrophobicContact CD2-CE2 3.85Å; L210-F266 HydrophobicContact CD2-CZ 3.89Å; L210-F266 HydrophobicContact CG-CE2 4.17Å; T213-F266 HydrophobicContact CG2-CZ 4.18Å; L248-F266 HydrophobicContact CB-CD1 4.22Å; L248-F266 HydrophobicContact CD1-CD1 4.29Å; L248-F266 HydrophobicContact CD1-CE1 4.09Å; L248-F266 PolarHBondContact N-O 3.22Å; S249-F266 WeakPolarHBondContact O-CB 3.1Å; S249-F266 PolarHBondContact O-N 2.78Å; L251-F266 HydrophobicContact CD1-CB 3.89Å; L251-F266 HydrophobicContact CD1-CD2 4.03Å; L251-F266 HydrophobicContact CD1-CG 4.37Å; L251-F266 HydrophobicContact CD2-CB 4.34Å; L251-F266 HydrophobicContact CG-CB 3.86Å
267	Y	91.3	Very high	71.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	173.6	-48.1	-90.4	0	0	0	110.5	V181 G215 L216 S218 L233 V246 Y247 H265 H269	V181-Y267 HydrophobicContact CB-CE1 4.09Å; V181-Y267 HydrophobicContact CG2-CE1 3.81Å; G215-Y267 WeakPolarHBondContact CA-O 3.2Å; L216-Y267 PolarHBondContact N-O 2.96Å; L216-Y267 VanDerWaalsContact O-CD2 3.32Å; L216-Y267 WeakPolarHBondContact O-CD2 2.99Å; L216-Y267 PolarHBondContact O-N 3.25Å; S218-Y267 VanDerWaalsContact OG-CE2 3.25Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.48Å; S218-Y267 PolarHBondContact OG-OH 2.74Å; L233-Y267 HydrophobicContact CB-CD1 3.56Å; L233-Y267 HydrophobicContact CB-CE1 3.85Å; L233-Y267 HydrophobicContact CB-CG 3.93Å; L233-Y267 HydrophobicContact CD1-CE1 4.17Å; L233-Y267 HydrophobicContact CD1-CE2 4.23Å; L233-Y267 HydrophobicContact CD2-CD1 4.29Å; L233-Y267 HydrophobicContact CD2-CD2 3.79Å; L233-Y267 HydrophobicContact CD2-CE2 4.2Å; L233-Y267 HydrophobicContact CD2-CG 3.84Å; L233-Y267 HydrophobicContact CG-CD1 4.34Å; L233-Y267 HydrophobicContact CG-CE1 4.43Å; L233-Y267 HydrophobicContact CG-CG 4.38Å; V246-Y267 CarbonylContact O-C 3.51Å; V246-Y267 VanDerWaalsContact O-CA 3.25Å; V246-Y267 WeakPolarHBondContact O-CA 3.28Å; Y247-Y267 HydrophobicContact CD2-CD1 4.2Å; Y247-Y267 AromaticContact CD2-CE1 3.91Å; Y247-Y267 HydrophobicContact CD2-CE1 3.91Å; Y247-Y267 HydrophobicContact CG-CD1 4.45Å; Y247-Y267 HydrophobicContact CG-CE1 4.29Å; H265-Y267 HydrophobicContact CB-CD2 4.36Å; H265-Y267 HydrophobicContact CB-CE1 4.26Å; H265-Y267 HydrophobicContact CB-CE2 3.48Å; H265-Y267 VanDerWaalsContact CB-CE2 3.48Å; H265-Y267 VanDerWaalsContact CB-CZ 3.42Å; H265-Y267 VanDerWaalsContact CB-OH 3.27Å; H265-Y267 WeakPolarHBondContact CB-OH 3.33Å; H265-Y267 PolarHBondContact ND1-OH 2.89Å; H265-Y267 WeakPolarHBondContact O-CD2 3.3Å; H265-Y267 VanDerWaalsContact O-CE2 3.31Å; H265-Y267 WeakPolarHBondContact O-CE2 3.35Å; Y267-H269 PolarHBondContact O-N 3.14Å
268	G	90.3	Very high	72.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.9	165.5	0	0	0	0	0	109.9	Y135 I146 G245 V246 V270	Y135-G268 WeakPolarHBondContact OH-CA 3.39Å; I146-G268 VanDerWaalsContact CD1-C 3.45Å; I146-G268 VanDerWaalsContact CD1-O 3.29Å; I146-G268 WeakPolarHBondContact CD1-O 3.2Å; G245-G268 CarbonylContact C-O 3.58Å; G245-G268 WeakPolarHBondContact CA-O 3.39Å; V246-G268 PolarHBondContact N-O 3.04Å; V246-G268 PolarHBondContact O-N 3.49Å; G268-V270 PolarHBondContact O-N 3.43Å
269	H	91.3	Very high	72.6	Confident	2 Å²	2	50 Å²	50	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.4	177.3	-171.8	-65.6	0	0	0	111.8	Y135 I146 K167 Y170 A171 K214 Y244 Y267 A271 T272	Y135-H269 PolarHBondContact OH-N 3.03Å; I146-H269 WeakPolarHBondContact CD1-O 3.43Å; K167-H269 PolarHBondContact O-CE1 2.95Å; Y170-H269 VanDerWaalsContact C-NE2 3.27Å; Y170-H269 HydrophobicContact CD1-CB 4.33Å; Y170-H269 AromaticContact CD1-CG 4Å; Y170-H269 PolarHBondContact N-CE1 3.43Å; A171-H269 WeakPolarHBondContact CA-NE2 3.42Å; A171-H269 PolarHBondContact N-NE2 2.84Å; A171-H269 PolarHBondContact O-CD2 3.33Å; A171-H269 PolarHBondContact O-NE2 2.9Å; K214-H269 VanDerWaalsContact O-CB 3.3Å; K214-H269 WeakPolarHBondContact O-CB 3.41Å; Y244-H269 AromaticContact CD1-NE2 3.93Å; Y267-H269 PolarHBondContact O-N 3.14Å; H269-A271 VanDerWaalsContact CE1-CB 3.44Å; H269-A271 WeakPolarHBondContact CE1-CB 3.19Å; H269-A271 VanDerWaalsContact ND1-CB 3.34Å; H269-A271 WeakPolarHBondContact ND1-CB 3.42Å; H269-A271 PolarHBondContact ND1-N 3.17Å; H269-A271 PolarHBondContact O-N 3Å; H269-T272 WeakPolarHBondContact O-CG2 3.41Å; H269-T272 PolarHBondContact O-N 3.17Å; H269-T272 VanDerWaalsContact O-N 3.11Å; H269-T272 PolarHBondContact O-OG1 2.62Å
270	V	91.1	Very high	73.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.8	-173.6	-66.8	0	0	0	0	115	L86 V166 K167 Q243 Y244 G268 T272 L274	L86-V270 HydrophobicContact CD2-CB 4Å; L86-V270 HydrophobicContact CD2-CG1 3.62Å; V166-V270 HydrophobicContact CG1-CB 3.74Å; V166-V270 HydrophobicContact CG1-CG1 4.16Å; V166-V270 HydrophobicContact CG1-CG2 3.49Å; V166-V270 VanDerWaalsContact CG1-CG2 3.49Å; K167-V270 WeakPolarHBondContact O-CG2 3.43Å; Q243-V270 HydrophobicContact CG-CG1 3.92Å; Y244-V270 PolarHBondContact O-N 2.91Å; G268-V270 PolarHBondContact O-N 3.43Å; V270-T272 PolarHBondContact O-N 2.8Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å
271	A	86.1	Confident	73.9	Confident	11 Å²	11	44.9 Å²	44.9	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-25.5	-179	0	0	0	0	0	113.4	Y170 H269 V273 L274 D275	Y170-A271 HydrophobicContact CD1-CB 4.34Å; Y170-A271 HydrophobicContact CD2-CB 4.33Å; Y170-A271 HydrophobicContact CE1-CB 4.37Å; Y170-A271 HydrophobicContact CE2-CB 4.34Å; Y170-A271 HydrophobicContact CG-CB 4.33Å; H269-A271 VanDerWaalsContact CE1-CB 3.44Å; H269-A271 WeakPolarHBondContact CE1-CB 3.19Å; H269-A271 VanDerWaalsContact ND1-CB 3.34Å; H269-A271 WeakPolarHBondContact ND1-CB 3.42Å; H269-A271 PolarHBondContact ND1-N 3.17Å; H269-A271 PolarHBondContact O-N 3Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 2.75Å; A271-L274 PolarHBondContact O-N 2.93Å; A271-D275 PolarHBondContact O-N 2.97Å; A271-D275 VanDerWaalsContact O-N 3.15Å
272	T	80.8	Confident	73.8	Confident	12 Å²	12	49.3 Å²	49.3	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-32.5	-174.9	61.8	0	0	0	0	113.6	Y135 I146 Y170 H269 V270	Y135-T272 HydrophobicContact CE1-CG2 3.9Å; Y135-T272 WeakPolarHBondContact OH-CG2 3.31Å; Y135-T272 PolarHBondContact OH-OG1 3.4Å; I146-T272 WeakPolarHBondContact CD1-OG1 3.47Å; Y170-T272 HydrophobicContact CE1-CG2 3.74Å; H269-T272 WeakPolarHBondContact O-CG2 3.41Å; H269-T272 PolarHBondContact O-N 3.17Å; H269-T272 VanDerWaalsContact O-N 3.11Å; H269-T272 PolarHBondContact O-OG1 2.62Å; V270-T272 PolarHBondContact O-N 2.8Å
273	V	84.8	Confident	74	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-97.6	-17.8	178.6	74.2	0	0	0	0	113.4	L86 M133 I146 L148 A271 F284	L86-V273 HydrophobicContact CD1-CG1 3.51Å; M133-V273 HydrophobicContact CB-CB 4.17Å; M133-V273 HydrophobicContact CB-CG2 4.18Å; I146-V273 HydrophobicContact CB-CB 4.13Å; I146-V273 HydrophobicContact CB-CG1 4.07Å; I146-V273 HydrophobicContact CG2-CB 4.3Å; I146-V273 HydrophobicContact CG2-CG1 3.71Å; L148-V273 HydrophobicContact CB-CG1 4.49Å; L148-V273 HydrophobicContact CB-CG2 4.04Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 2.75Å; V273-F284 HydrophobicContact CG2-CE1 4.19Å
274	L	83.4	Confident	74.4	Confident	56 Å²	56	48 Å²	48	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-86.1	-12.4	178.8	-64.8	178.1	0	0	0	113.3	I69 L148 V166 V270 A271	I69-L274 HydrophobicContact CD1-CD2 4.13Å; L148-L274 HydrophobicContact CD2-CD2 4.27Å; V166-L274 HydrophobicContact CG1-CD1 3.71Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; A271-L274 PolarHBondContact O-N 2.93Å
275	D	71.8	Confident	74.4	Confident	50 Å²	50	49 Å²	49	27%	0.267	26%	0.257	S	S	.	.			trans	-57.6	141.6	174.5	-171.4	18.5	0	0	0	112.4	R131 A271 N277 N280	R131-D275 PolarHBondContact NH2-O 3.44Å; A271-D275 PolarHBondContact O-N 2.97Å; A271-D275 VanDerWaalsContact O-N 3.15Å; D275-N277 WeakPolarHBondContact OD1-CB 3.29Å; D275-N277 PolarHBondContact OD1-N 2.96Å; D275-N277 WeakPolarHBondContact OD2-CB 3.46Å; D275-N280 PolarHBondContact OD2-ND2 3.24Å
276	R	64.9	Low	74.2	Confident	220 Å²	220	51.6 Å²	51.6	83%	0.83	27%	0.269	S	S	*	.			trans	-119.5	1.9	-179.7	-59.7	-173.1	-178	-173.2	1.6	112.6
277	N	63.3	Low	74	Confident	79 Å²	79	52.7 Å²	52.7	42%	0.422	28%	0.275	S	S	.	.			trans	-56.3	124	177.6	-175.6	-20.2	0	0	0	110.5	D275 A279 N280	D275-N277 WeakPolarHBondContact OD1-CB 3.29Å; D275-N277 PolarHBondContact OD1-N 2.96Å; D275-N277 WeakPolarHBondContact OD2-CB 3.46Å; N277-A279 PolarHBondContact O-N 3.15Å; N277-A279 VanDerWaalsContact O-N 3.14Å; N277-A279 WeakPolarHBondContact OD1-CB 3.18Å; N277-A279 PolarHBondContact OD1-N 3.28Å; N277-N280 PolarHBondContact O-N 3Å
278	P	49.6	Very low	73.2	Confident	102 Å²	102	55.4 Å²	55.4	66%	0.662	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-57.2	-28.7	-178.9	21.4	-33.1	0	0	0	113.6	N280 V281	P278-N280 PolarHBondContact O-N 3.3Å; P278-V281 WeakPolarHBondContact O-CB 3.29Å; P278-V281 WeakPolarHBondContact O-CG2 3.3Å; P278-V281 PolarHBondContact O-N 2.95Å
279	A	50.6	Low	71.8	Confident	72 Å²	72	58 Å²	58	60%	0.595	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-59.7	-34.3	176.6	0	0	0	0	0	112.9	N277	N277-A279 PolarHBondContact O-N 3.15Å; N277-A279 VanDerWaalsContact O-N 3.14Å; N277-A279 WeakPolarHBondContact OD1-CB 3.18Å; N277-A279 PolarHBondContact OD1-N 3.28Å
280	N	58.8	Low	69.9	Low	71 Å²	71	63.4 Å²	63.4	38%	0.38	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-86.7	-5.5	-177.7	-73.8	-29.1	0	0	0	113.5	D275 N277 P278 Y282 G283 F284	D275-N280 PolarHBondContact OD2-ND2 3.24Å; N277-N280 PolarHBondContact O-N 3Å; P278-N280 PolarHBondContact O-N 3.3Å; N280-Y282 VanDerWaalsContact C-N 3.28Å; N280-Y282 PolarHBondContact O-N 2.75Å; N280-G283 PolarHBondContact O-N 2.85Å; N280-F284 HydrophobicContact CB-CE2 4.2Å; N280-F284 WeakPolarHBondContact O-CD2 3.46Å; N280-F284 VanDerWaalsContact O-CE2 3.24Å; N280-F284 WeakPolarHBondContact O-CE2 3.38Å
281	V	51.5	Low	67.5	Low	59 Å²	59	69.6 Å²	69.6	36%	0.358	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-58.3	-37.7	-174.9	170.4	0	0	0	0	112.5	P278 G283 F284	P278-V281 WeakPolarHBondContact O-CB 3.29Å; P278-V281 WeakPolarHBondContact O-CG2 3.3Å; P278-V281 PolarHBondContact O-N 2.95Å; V281-G283 PolarHBondContact O-N 3.24Å; V281-F284 PolarHBondContact O-N 3.37Å
282	Y	49.7	Very low	64.7	Low	217 Å²	217	77.6 Å²	77.6	85%	0.851	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-69.2	-15.6	178.5	-61.8	-75.6	0	0	0	114.4	N280	N280-Y282 VanDerWaalsContact C-N 3.28Å; N280-Y282 PolarHBondContact O-N 2.75Å
283	G	67.9	Low	62.4	Low	35 Å²	35	82.5 Å²	82.5	36%	0.361	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-79.2	-20.1	177.3	0	0	0	0	0	114.2	P134 N280 V281	P134-G283 WeakPolarHBondContact CD-O 3.5Å; N280-G283 PolarHBondContact O-N 2.85Å; V281-G283 PolarHBondContact O-N 3.24Å
284	F	78	Confident	59.6	Low	19 Å²	19	87.9 Å²	87.9	8%	0.083	49%	0.486	C	S	.	.			trans	-81	138.8	-173.2	-67.5	-89.9	0	0	0	113.1	R131 I132 M133 V273 N280 V281	R131-F284 HydrophobicContact CG-CB 4.24Å; R131-F284 HydrophobicContact CG-CD1 3.55Å; R131-F284 HydrophobicContact CG-CE1 4.25Å; R131-F284 HydrophobicContact CG-CG 4.15Å; R131-F284 VanDerWaalsContact CZ-CE1 3.5Å; R131-F284 VanDerWaalsContact NH2-CE1 3.34Å; I132-F284 CarbonylContact O-C 3.59Å; I132-F284 WeakPolarHBondContact O-CA 3.43Å; M133-F284 HydrophobicContact CB-CD1 4.09Å; M133-F284 HydrophobicContact CB-CE1 3.83Å; M133-F284 HydrophobicContact CE-CD1 3.87Å; M133-F284 HydrophobicContact CE-CD2 3.7Å; M133-F284 HydrophobicContact CE-CE1 3.6Å; M133-F284 HydrophobicContact CE-CE2 3.37Å; M133-F284 HydrophobicContact CE-CG 3.93Å; M133-F284 HydrophobicContact CE-CZ 3.31Å; V273-F284 HydrophobicContact CG2-CE1 4.19Å; N280-F284 HydrophobicContact CB-CE2 4.2Å; N280-F284 WeakPolarHBondContact O-CD2 3.46Å; N280-F284 VanDerWaalsContact O-CE2 3.24Å; N280-F284 WeakPolarHBondContact O-CE2 3.38Å; V281-F284 PolarHBondContact O-N 3.37Å
285	I	80.8	Confident	57.3	Low	23 Å²	23	90.6 Å²	90.6	12%	0.118	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.4	168.2	-57.3	174.9	0	0	0	107.9	W100 I132 P134 L287	W100-I285 HydrophobicContact CD2-CG2 4.49Å; W100-I285 HydrophobicContact CH2-CD1 4.29Å; W100-I285 HydrophobicContact CZ2-CD1 3.47Å; W100-I285 VanDerWaalsContact CZ2-CD1 3.47Å; W100-I285 HydrophobicContact CZ2-CG2 4.43Å; I132-I285 HydrophobicContact CB-CB 4.29Å; I132-I285 PolarHBondContact N-O 2.77Å; I132-I285 PolarHBondContact O-N 3.05Å; P134-I285 HydrophobicContact CB-CD1 4.4Å; P134-I285 HydrophobicContact CG-CD1 4.04Å; P134-I285 HydrophobicContact CG-CG1 4.29Å; I285-L287 HydrophobicContact CG2-CD2 4.13Å
286	E	84.5	Confident	55.4	Low	56 Å²	56	94.5 Å²	94.5	26%	0.262	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.9	178	-70.7	-165.5	167.5	0	0	112.3	I130 R131 L289 Q291	I130-E286 WeakPolarHBondContact O-CA 3.38Å; R131-E286 HydrophobicContact CB-CG 4.35Å; R131-E286 HydrophobicContact CG-CG 4.2Å; E286-L289 HydrophobicContact CB-CB 4.3Å; E286-L289 HydrophobicContact CG-CD1 4.37Å; E286-Q291 PolarHBondContact OE1-NE2 2.98Å; E286-Q291 WeakPolarHBondContact OE2-CG 3.28Å; E286-Q291 PolarHBondContact OE2-NE2 3.43Å; E286-Q291 VanDerWaalsContact OE2-NE2 3.14Å
287	L	83	Confident	53.9	Low	23 Å²	23	94 Å²	94	12%	0.12	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.5	179	-51.4	176	0	0	0	109	F92 W100 P103 G129 I130 I132 I285 L289	F92-L287 HydrophobicContact CB-CD1 4.19Å; W100-L287 HydrophobicContact CB-CD1 4.08Å; W100-L287 HydrophobicContact CB-CD2 3.72Å; W100-L287 HydrophobicContact CD2-CD1 4.48Å; W100-L287 HydrophobicContact CE3-CD1 4.19Å; W100-L287 HydrophobicContact CG-CD1 4.46Å; W100-L287 HydrophobicContact CG-CD2 3.97Å; P103-L287 HydrophobicContact CG-CB 4.27Å; P103-L287 WeakPolarHBondContact CG-O 3.2Å; G129-L287 CarbonylContact C-O 3.5Å; G129-L287 VanDerWaalsContact CA-O 3.22Å; G129-L287 WeakPolarHBondContact CA-O 3.41Å; I130-L287 HydrophobicContact CB-CB 4.21Å; I130-L287 HydrophobicContact CB-CD1 4.42Å; I130-L287 HydrophobicContact CD1-CB 4.48Å; I130-L287 HydrophobicContact CD1-CD1 4.2Å; I130-L287 PolarHBondContact N-O 3.16Å; I130-L287 PolarHBondContact O-N 2.91Å; I132-L287 HydrophobicContact CD1-CD1 3.94Å; I285-L287 HydrophobicContact CG2-CD2 4.13Å; L287-L289 PolarHBondContact O-N 3.42Å
288	G	74.1	Confident	52.3	Low	56 Å²	56	99.6 Å²	99.6	58%	0.577	56%	0.557	S	S	*	*	S	Bend	trans	75.1	-4	177	0	0	0	0	0	116.1
289	L	62.8	Low	51.5	Low	55 Å²	55	100.3 Å²	100.3	29%	0.288	57%	0.565	S	S	.	*			trans	-80.9	119.4	160.1	-59.5	175.3	0	0	0	107.7	R131 E286 L287	R131-L289 HydrophobicContact CB-CD1 4.18Å; E286-L289 HydrophobicContact CB-CB 4.3Å; E286-L289 HydrophobicContact CG-CD1 4.37Å; L287-L289 PolarHBondContact O-N 3.42Å
290	S	49.9	Very low	50.7	Low	116 Å²	116	102 Å²	102	81%	0.811	57%	0.572	S	S	*	*			trans	-97.2	94.2	173.1	-66.1	0	0	0	0	109	K292	S290-K292 PolarHBondContact O-N 2.82Å
291	Q	41.6	Very low	49.5	Very low	129 Å²	129	104 Å²	104	60%	0.603	59%	0.591	S	S	*	*			trans	-67	77.6	161.9	-71.6	-170.6	35.3	0	0	109.7	E286 P293	E286-Q291 PolarHBondContact OE1-NE2 2.98Å; E286-Q291 WeakPolarHBondContact OE2-CG 3.28Å; E286-Q291 PolarHBondContact OE2-NE2 3.43Å; E286-Q291 VanDerWaalsContact OE2-NE2 3.14Å; Q291-P293 WeakPolarHBondContact O-CD 3.31Å
292	K	26.6	Very low	48.6	Very low	179 Å²	179	105.7 Å²	105.7	78%	0.778	61%	0.611	S	S	*	*			trans	-76.7	117.4	160.7	-163.6	179.1	-171.3	-175.8	0	105.7	S290 S294	S290-K292 PolarHBondContact O-N 2.82Å; K292-S294 PolarHBondContact O-N 3.28Å
293	P	32.1	Very low	48	Very low	115 Å²	115	100.1 Å²	100.1	75%	0.747	60%	0.604	S	S	*	*			trans	-54.2	121.8	170.9	-21.9	33	0	0	0	107.1	Q291 P295	Q291-P293 WeakPolarHBondContact O-CD 3.31Å; P293-P295 WeakPolarHBondContact O-CD 3.27Å
294	S	26.4	Very low	46.3	Very low	113 Å²	113	107.7 Å²	107.7	79%	0.79	63%	0.63	S	S	*	*			trans	-76.6	111.1	-179.4	40.3	0	0	0	0	107.7	K292 T296	K292-S294 PolarHBondContact O-N 3.28Å; S294-T296 PolarHBondContact O-N 2.73Å
295	P	35.4	Very low	44.3	Very low	113 Å²	113	115.4 Å²	115.4	73%	0.734	67%	0.667	S	S	*	*			trans	-59.9	143.1	164.3	29.2	-34	0	0	0	107.3	P293 K297	P293-P295 WeakPolarHBondContact O-CD 3.27Å; P295-K297 PolarHBondContact O-N 2.83Å
296	T	32.7	Very low	42	Very low	133 Å²	133	123.9 Å²	123.9	82%	0.816	70%	0.703	S	S	*	*			trans	-45.5	134	-179.3	41.2	0	0	0	0	111.8	S294 K298	S294-T296 PolarHBondContact O-N 2.73Å; T296-K298 PolarHBondContact O-N 2.85Å
297	K	32	Very low	39.6	Very low	209 Å²	209	127.2 Å²	127.2	91%	0.909	73%	0.729	S	S	*	*			trans	-56.1	99.5	175.8	-73.3	179.5	178	179.6	0	110.6	P295	P295-K297 PolarHBondContact O-N 2.83Å
298	K	30.5	Very low	37.6	Very low	197 Å²	197	132.9 Å²	132.9	86%	0.857	76%	0.76	S	S	*	*			trans	-103.5	105.3	147.2	-80	-164.7	171.5	-173.1	0	107.7	T296 S300	T296-K298 PolarHBondContact O-N 2.85Å; K298-S300 PolarHBondContact O-N 2.92Å
299	S	33.4	Very low	35.9	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	77%	0.773	S	S	*	*			trans	-77.5	106.8	177.7	44.8	0	0	0	0	110.2
300	S	31.9	Very low	34.6	Very low	108 Å²	108	140 Å²	140	76%	0.755	80%	0.797	S	S	*	*			trans	-154.4	48.2	167	66.5	0	0	0	0	111.4	K298 A302	K298-S300 PolarHBondContact O-N 2.92Å; S300-A302 PolarHBondContact O-N 2.85Å
301	S	33.8	Very low	33.8	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	80%	0.796	S	S	*	*			trans	-86.1	80.9	164.9	55.5	0	0	0	0	109	S303	S301-S303 VanDerWaalsContact C-N 3.28Å; S301-S303 PolarHBondContact O-N 2.53Å
302	A	33.6	Very low	33.6	Very low	94 Å²	94	143.2 Å²	143.2	78%	0.777	81%	0.808	S	S	*	*			trans	-72.9	86.6	167.9	0	0	0	0	0	108.9	S300	S300-A302 PolarHBondContact O-N 2.85Å
303	S	37.6	Very low	34.8	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	81%	0.811	S	S	*	*			trans	-90.8	96.4	160.4	50.8	0	0	0	0	107.4	S301 E305	S301-S303 VanDerWaalsContact C-N 3.28Å; S301-S303 PolarHBondContact O-N 2.53Å; S303-E305 VanDerWaalsContact C-N 3.3Å; S303-E305 PolarHBondContact O-N 3.14Å
304	E	32.4	Very low	35.6	Very low	193 Å²	193	142.9 Å²	142.9	90%	0.902	81%	0.808	S	S	*	*			trans	-72.9	84	176.2	-66.6	179.5	130.5	0	0	110.3
305	E	34.9	Very low	36.6	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87.5	142.6	151.8	-74.2	-169.5	118.4	0	0	109.3	S303	S303-E305 VanDerWaalsContact C-N 3.3Å; S303-E305 PolarHBondContact O-N 3.14Å
306	K	31.6	Very low	37.1	Very low	201 Å²	201	143 Å²	143	87%	0.874	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-48.9	130.6	-166.4	-64.3	173.9	174.6	-178.6	0	114.6
307	P	35.8	Very low	37.6	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.9	148	136.8	33.3	-31.1	0	0	0	109.4
308	D	39.4	Very low	38.2	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-97.8	165	177.4	-157.7	-3.7	0	0	0	111.2
309	Q	38.9	Very low	38.7	Very low	182 Å²	182	139 Å²	139	85%	0.85	79%	0.788	S	S	*	*			trans	67.6	112.5	168.4	-56.1	174.5	-5.1	0	0	117
310	G	35.1	Very low	39.4	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	78%	0.784	S	S	*	*			trans	-176.1	22.6	-178.4	0	0	0	0	0	119.7
311	C	33.8	Very low	40	Very low	119 Å²	119	139 Å²	139	80%	0.804	78%	0.782	S	S	*	*			trans	32.5	126.8	161.6	-67.9	0	0	0	0	123.7
312	K	38.1	Very low	40.2	Very low	194 Å²	194	145 Å²	145	84%	0.843	79%	0.787	S	S	*	*			trans	86.6	86.6	147.4	-62.9	173.3	-179.4	-178.9	0	121.4
313	H	51.8	Low	40.5	Very low	182 Å²	182	146.3 Å²	146.3	84%	0.843	79%	0.788	S	S	*	*				24	160	108.6	-71.5	-63.5	0	0	0	122.3
314	P	48	Very low	40.5	Very low	105 Å²	105	145 Å²	145	68%	0.682	79%	0.79	S	S	*	*			cis	-142.4	-147.5	-43	40.7	-19.8	0	0	0	111.6
315	P	48.6	Very low	40.9	Very low	112 Å²	112	145.8 Å²	145.8	73%	0.727	79%	0.791	S	S	*	*				-98.3	-128	-67.8	20.3	3.8	0	0	0	109.8
316	T	44.7	Very low	41.2	Very low	117 Å²	117	144.9 Å²	144.9	72%	0.718	79%	0.791	S	S	*	*			cis	-163.4	166.7	-7.5	-6.1	0	0	0	0	106.2
317	D	43.7	Very low	41.9	Very low	127 Å²	127	140.8 Å²	140.8	68%	0.679	79%	0.785	S	S	*	*			cis	-162.1	-174.8	-8.1	-153.4	-6.8	0	0	0	111.6
318	N	43.6	Very low	41.9	Very low	128 Å²	128	140.7 Å²	140.7	68%	0.684	79%	0.786	S	S	*	*			trans	62.9	83	146.5	-70.9	-45.1	0	0	0	122.9
319	K	42.7	Very low	42.1	Very low	201 Å²	201	139.8 Å²	139.8	87%	0.874	79%	0.787	S	S	*	*			trans	42.1	147.4	131	-88.9	-175.5	175	174.4	0	124.9
320	P	46.8	Very low	42.3	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	79%	0.788	S	S	*	*			trans	-107.9	-172.1	179.3	49.4	-40.6	0	0	0	112.2
321	P	44.4	Very low	42.7	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	79%	0.788	S	S	*	*				-158.2	147.5	64.4	39.7	-16.2	0	0	0	121
322	R	37.9	Very low	43	Very low	239 Å²	239	143.6 Å²	143.6	90%	0.902	79%	0.79	S	S	*	*			trans	65	164.8	149	-73.8	-172.5	-176.7	-158	2.8	119.7
323	P	41.5	Very low	43.3	Very low	121 Å²	121	145.2 Å²	145.2	79%	0.786	79%	0.791	S	S	*	*			cis	-138.1	155.2	-36.8	36.8	-20.6	0	0	0	115.4
324	G	37	Very low	42.9	Very low	73 Å²	73	142.4 Å²	142.4	75%	0.753	79%	0.789	S	S	*	*			trans	140.9	153	148.1	0	0	0	0	0	119.5
325	K	40.3	Very low	42.7	Very low	210 Å²	210	141.8 Å²	141.8	91%	0.913	79%	0.793	S	S	*	*			trans	68	132.8	169.8	-64.5	-176.6	177.3	178.7	0	119.5
326	L	42.2	Very low	42.7	Very low	164 Å²	164	145.3 Å²	145.3	86%	0.859	80%	0.799	S	S	*	*			trans	-87.3	155.2	159.6	-69.9	71.1	0	0	0	108.6
327	P	45.4	Very low	42.8	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	80%	0.804	S	S	*	*				-149	130.4	93.7	35.9	-17.1	0	0	0	115
328	C	35.5	Very low	42.4	Very low	123 Å²	123	143.8 Å²	143.8	83%	0.831	81%	0.805	S	S	*	*				104.9	157	99.8	-76	0	0	0	0	114.8
329	P	43.9	Very low	42.1	Very low	123 Å²	123	142.8 Å²	142.8	80%	0.799	81%	0.806	S	S	*	*			trans	-113.8	178.4	-160.5	41.6	-32.2	0	0	0	116.1
330	K	43.1	Very low	42	Very low	199 Å²	199	138.8 Å²	138.8	87%	0.865	80%	0.801	S	S	*	*			trans	-134.6	164.2	176.9	-106.7	-178.4	-179.4	179.1	0	111.1
331	P	44	Very low	41.7	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix		-99.8	164.8	-115.3	-8.6	28.7	0	0	0	118.1
332	T	40.8	Very low	41.5	Very low	137 Å²	137	142.9 Å²	142.9	84%	0.84	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.1	135.1	-177.7	-46	0	0	0	0	113.2
333	R	43.2	Very low	42.5	Very low	228 Å²	228	139.6 Å²	139.6	86%	0.86	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.4	136.4	165.4	-174.2	178.9	-175.6	178.8	2.7	109.8	A335	R333-A335 PolarHBondContact O-N 2.91Å
334	P	44.3	Very low	43.8	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.9	124.8	-176.7	-25.7	34.5	0	0	0	112.8
335	A	44.4	Very low	45.8	Very low	92 Å²	92	142.2 Å²	142.2	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-80.2	129.9	168.9	0	0	0	0	0	109.2	R333	R333-A335 PolarHBondContact O-N 2.91Å
336	Q	47.3	Very low	48	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.8	138	166.3	-72.4	176.7	-39.2	0	0	109	A338	Q336-A338 PolarHBondContact O-N 2.91Å; Q336-A338 VanDerWaalsContact O-N 3.14Å
337	P	46.4	Very low	50.4	Low	125 Å²	125	128 Å²	128	81%	0.812	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-60.4	118.9	173.1	-21.5	32.9	0	0	0	109.9
338	A	37	Very low	52.6	Low	87 Å²	87	122.5 Å²	122.5	72%	0.719	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-60.3	135	162.7	0	0	0	0	0	107.8	Q336	Q336-A338 PolarHBondContact O-N 2.91Å; Q336-A338 VanDerWaalsContact O-N 3.14Å
339	P	36.8	Very low	55.3	Low	107 Å²	107	116.6 Å²	116.6	70%	0.695	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-58.3	139	-179.2	24.4	-33.8	0	0	0	109.5	V341	P339-V341 PolarHBondContact O-N 2.97Å
340	P	40.6	Very low	57.5	Low	118 Å²	118	112 Å²	112	77%	0.766	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-60.3	116.1	-176.6	24.4	-33.4	0	0	0	109.2	Q342	P340-Q342 PolarHBondContact O-N 3.24Å
341	V	39.6	Very low	59.6	Low	131 Å²	131	102.7 Å²	102.7	79%	0.794	57%	0.567	S	S	*	*			trans	-61.9	101.9	176.2	178.3	0	0	0	0	107.4	P339 Q343	P339-V341 PolarHBondContact O-N 2.97Å; V341-Q343 PolarHBondContact O-N 2.84Å
342	Q	41.1	Very low	61.6	Low	178 Å²	178	102 Å²	102	83%	0.832	56%	0.556	S	S	*	*			trans	-61.1	99.9	-177	-71	-177.7	-11.7	0	0	109.3	P340 R344	P340-Q342 PolarHBondContact O-N 3.24Å; Q342-R344 PolarHBondContact O-N 2.88Å
343	Q	57.7	Low	63.6	Low	169 Å²	169	96.3 Å²	96.3	79%	0.79	52%	0.521	S	S	*	.			trans	-69.4	100.2	179	-63.2	-172.4	6.8	0	0	107.9	V341	V341-Q343 PolarHBondContact O-N 2.84Å
344	R	69.8	Low	65.6	Low	190 Å²	190	87.8 Å²	87.8	72%	0.717	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-48.3	129.4	175.4	-68.5	-173.3	-179.5	-176.5	-1.3	109.1	Q342 V346 R477	Q342-R344 PolarHBondContact O-N 2.88Å; R344-V346 PolarHBondContact O-N 2.92Å; R344-R477 PolarHBondContact O-NH1 2.82Å
345	P	79.2	Confident	67.4	Low	59 Å²	59	85.4 Å²	85.4	38%	0.383	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-57.4	140	-177	23.9	-33.9	0	0	0	110.4	Y347 I400	P345-Y347 HydrophobicContact CB-CE2 4.01Å; P345-Y347 HydrophobicContact CG-CE2 3.89Å; P345-I400 HydrophobicContact CB-CD1 4.1Å; P345-I400 HydrophobicContact CB-CG1 4.18Å; P345-I400 HydrophobicContact CB-CG2 4.49Å
346	V	86.2	Confident	69	Low	6 Å²	6	84 Å²	84	4%	0.036	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-98.6	123.8	177	-176.2	0	0	0	0	107.7	R344 T353 I400 A401 R477 V482	R344-V346 PolarHBondContact O-N 2.92Å; V346-T353 HydrophobicContact CG1-CG2 4.49Å; V346-I400 CarbonylContact O-C 3.58Å; V346-A401 PolarHBondContact O-N 2.83Å; V346-R477 HydrophobicContact CG2-CB 4.22Å; V346-V482 HydrophobicContact CG1-CG1 4.14Å; V346-V482 HydrophobicContact CG1-CG2 3.77Å
347	Y	91.4	Very high	70.6	Confident	69 Å²	69	78.5 Å²	78.5	27%	0.271	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-102	162.9	171.7	-61.6	-77.1	0	0	0	110.5	P345 Q398 I400 V482	P345-Y347 HydrophobicContact CB-CE2 4.01Å; P345-Y347 HydrophobicContact CG-CE2 3.89Å; Y347-Q398 WeakPolarHBondContact CE1-O 3.42Å; Y347-I400 HydrophobicContact CE1-CG1 4.22Å; Y347-V482 VanDerWaalsContact O-CG1 3.23Å; Y347-V482 WeakPolarHBondContact O-CG1 3.42Å
348	C	93.4	Very high	72.1	Confident	0 Å²	0	73 Å²	73	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	150.6	172.9	62.2	0	0	0	0	111.1	D350 H393 A401 P483 C485 R561	C348-D350 PolarHBondContact O-N 3.27Å; C348-D350 VanDerWaalsContact O-N 3.16Å; C348-H393 HydrophobicContact CB-CB 3.62Å; C348-A401 HydrophobicContact CB-CB 4.15Å; C348-P483 CarbonylContact C-O 3.47Å; C348-P483 WeakPolarHBondContact CA-O 3.4Å; C348-P483 WeakPolarHBondContact CB-O 3.48Å; C348-C485 HydrophobicContact CB-CB 4.01Å; C348-C485 WeakPolarHBondContact CB-SG 3.22Å; C348-C485 PolarHBondContact O-SG 2.88Å; C348-C485 WeakPolarHBondContact SG-CA 3.47Å; C348-C485 WeakPolarHBondContact SG-CB 3.45Å; C348-C485 CovalentContact SG-SG 2.04Å; C348-C485 PolarHBondContact SG-SG 2.76Å; C348-R561 WeakPolarHBondContact O-CD 3.45Å
349	G	91.2	Very high	73.9	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	21.4	175.5	0	0	0	0	0	115.1	P483 V562	G349-P483 PolarHBondContact N-O 2.95Å; G349-V562 WeakPolarHBondContact CA-O 3.34Å; G349-V562 PolarHBondContact O-N 3.45Å
350	D	90	Very high	75.8	Confident	27 Å²	27	67.9 Å²	67.9	14%	0.144	36%	0.36	C	S	.	.			trans	-119	124.8	-174	175.7	-18.9	0	0	0	109.3	C348 D352 V482 R561	C348-D350 PolarHBondContact O-N 3.27Å; C348-D350 VanDerWaalsContact O-N 3.16Å; D350-D352 PolarHBondContact OD1-N 2.73Å; D350-V482 WeakPolarHBondContact O-CG1 3.33Å; D350-R561 IonicContact OD2-NH2 3.67Å
351	T	88.2	Confident	77.5	Confident	3 Å²	3	63 Å²	63	2%	0.018	33%	0.327	C	S	.	.			trans	-106.5	-8.2	-178.2	56.4	0	0	0	0	113.7	T353 F354 R356 T357 V358 Y361 P372 W373	T351-T353 PolarHBondContact O-N 3.48Å; T351-T353 VanDerWaalsContact O-N 3.13Å; T351-F354 PolarHBondContact O-N 2.82Å; T351-R356 CarbonylContact C-O 3.52Å; T351-R356 WeakPolarHBondContact CB-O 3.12Å; T351-R356 PolarHBondContact OG1-O 2.86Å; T351-T357 VanDerWaalsContact OG1-C 3.32Å; T351-V358 HydrophobicContact CG2-CG2 4.18Å; T351-V358 PolarHBondContact OG1-N 3.3Å; T351-Y361 HydrophobicContact CG2-CD2 4.47Å; T351-Y361 HydrophobicContact CG2-CE2 3.9Å; T351-P372 HydrophobicContact CG2-CG 4Å; T351-W373 HydrophobicContact CG2-CH2 4.01Å; T351-W373 HydrophobicContact CG2-CZ3 3.97Å
352	D	85.4	Confident	79	Confident	109 Å²	109	58.4 Å²	58.4	58%	0.583	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20.1	-178	-71.5	-13.9	0	0	0	111.6	D350 F354 G355 R356	D350-D352 PolarHBondContact OD1-N 2.73Å; D352-F354 PolarHBondContact O-N 2.88Å; D352-F354 VanDerWaalsContact O-N 3.12Å; D352-G355 PolarHBondContact O-N 2.79Å; D352-R356 PolarHBondContact N-O 3.16Å
353	T	83.2	Confident	80	Confident	16 Å²	16	53.4 Å²	53.4	10%	0.098	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.3	-18.6	167.9	-132.9	0	0	0	0	113.6	V346 T351 R477 V482	V346-T353 HydrophobicContact CG1-CG2 4.49Å; T351-T353 PolarHBondContact O-N 3.48Å; T351-T353 VanDerWaalsContact O-N 3.13Å; T353-R477 HydrophobicContact CG2-CG 4.1Å; T353-R477 VanDerWaalsContact O-CZ 3.24Å; T353-R477 PolarHBondContact O-NE 3.12Å; T353-R477 VanDerWaalsContact O-NE 3.12Å; T353-R477 PolarHBondContact O-NH2 3.46Å; T353-R477 WeakPolarHBondContact OG1-CD 3.48Å; T353-R477 PolarHBondContact OG1-NE 3.01Å; T353-R477 VanDerWaalsContact OG1-NE 3.15Å; T353-R477 PolarHBondContact OG1-NH1 2.93Å; T353-V482 HydrophobicContact CG2-CG2 3.57Å
354	F	84.6	Confident	79.7	Confident	50 Å²	50	48.6 Å²	48.6	22%	0.219	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-104.4	4.6	172.2	-58.6	-59.9	0	0	0	113.8	T351 D352 R356 P372 R477 N480 V482	T351-F354 PolarHBondContact O-N 2.82Å; D352-F354 PolarHBondContact O-N 2.88Å; D352-F354 VanDerWaalsContact O-N 3.12Å; F354-R356 VanDerWaalsContact C-N 3.33Å; F354-P372 HydrophobicContact CD2-CB 4.41Å; F354-P372 HydrophobicContact CD2-CG 4.44Å; F354-P372 HydrophobicContact CE2-CB 3.7Å; F354-P372 HydrophobicContact CE2-CG 4.03Å; F354-P372 HydrophobicContact CZ-CB 4.46Å; F354-R477 HydrophobicContact CE1-CG 4Å; F354-R477 HydrophobicContact CZ-CG 4.44Å; F354-N480 HydrophobicContact CE1-CB 4.21Å; F354-V482 HydrophobicContact CE2-CB 4.27Å; F354-V482 HydrophobicContact CE2-CG2 3.54Å; F354-V482 HydrophobicContact CZ-CG2 3.76Å
355	G	81.5	Confident	78.7	Confident	73 Å²	73	44.3 Å²	44.3	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	33.9	-173.5	0	0	0	0	0	112.8	D352	D352-G355 PolarHBondContact O-N 2.79Å
356	R	77.5	Confident	77.6	Confident	61 Å²	61	45 Å²	45	23%	0.23	27%	0.269	C	S	.	.			trans	-140.1	132.8	-174.6	-76.6	-173.4	176.4	-167.8	1.3	110.3	T351 D352 F354 S360 Y361 D369	T351-R356 CarbonylContact C-O 3.52Å; T351-R356 WeakPolarHBondContact CB-O 3.12Å; T351-R356 PolarHBondContact OG1-O 2.86Å; D352-R356 PolarHBondContact N-O 3.16Å; F354-R356 VanDerWaalsContact C-N 3.33Å; R356-S360 WeakPolarHBondContact CB-OG 3.46Å; R356-Y361 HydrophobicContact CB-CE2 3.88Å; R356-D369 IonicContact CZ-OD2 2.74Å; R356-D369 VanDerWaalsContact CZ-OD2 3.24Å; R356-D369 IonicContact NH1-OD2 3.72Å; R356-D369 PolarHBondContact NH1-OD2 3.36Å; R356-D369 IonicContact NH2-OD2 3.96Å; R356-D369 PolarHBondContact NH2-OD2 3.46Å
357	T	81.6	Confident	76.3	Confident	71 Å²	71	46.3 Å²	46.3	44%	0.436	28%	0.28	S	S	.	.			trans	-75.7	162.9	167.3	81.6	0	0	0	0	110.5	T351 E359 S360	T351-T357 VanDerWaalsContact OG1-C 3.32Å; T357-E359 VanDerWaalsContact C-N 3.27Å; T357-E359 WeakPolarHBondContact CB-OE2 3.36Å; T357-E359 PolarHBondContact O-N 3.04Å; T357-E359 PolarHBondContact OG1-OE2 3.05Å; T357-S360 WeakPolarHBondContact O-CB 3.38Å; T357-S360 PolarHBondContact O-N 2.71Å; T357-S360 PolarHBondContact O-OG 3.4Å
358	V	77.7	Confident	75	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-61.8	-39.2	-179	-179.2	0	0	0	0	110.9	T351 S360 Y361 F371 L557 V562	T351-V358 HydrophobicContact CG2-CG2 4.18Å; T351-V358 PolarHBondContact OG1-N 3.3Å; V358-S360 PolarHBondContact O-N 3.03Å; V358-Y361 PolarHBondContact O-N 3.1Å; V358-Y361 VanDerWaalsContact O-N 3.16Å; V358-F371 HydrophobicContact CG1-CE1 3.81Å; V358-F371 HydrophobicContact CG1-CZ 4.36Å; V358-L557 HydrophobicContact CB-CD1 4.48Å; V358-L557 HydrophobicContact CG2-CD1 4.18Å; V358-V562 HydrophobicContact CB-CG2 4.25Å; V358-V562 HydrophobicContact CG1-CG2 3.69Å; V358-V562 HydrophobicContact CG2-CG2 3.51Å
359	E	74.9	Confident	74.2	Confident	68 Å²	68	50.5 Å²	50.5	32%	0.318	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-64.3	-26.2	-178.9	-52.3	69.8	-147.3	0	0	111.6	T357 Y361 V362 T363 L557	T357-E359 VanDerWaalsContact C-N 3.27Å; T357-E359 WeakPolarHBondContact CB-OE2 3.36Å; T357-E359 PolarHBondContact O-N 3.04Å; T357-E359 PolarHBondContact OG1-OE2 3.05Å; E359-Y361 PolarHBondContact O-N 2.93Å; E359-V362 CarbonylContact O-C 3.53Å; E359-V362 VanDerWaalsContact O-CG2 3.24Å; E359-V362 WeakPolarHBondContact O-CG2 3.4Å; E359-V362 PolarHBondContact O-N 2.85Å; E359-T363 PolarHBondContact O-N 2.86Å; E359-T363 PolarHBondContact O-OG1 2.96Å; E359-L557 VanDerWaalsContact OE1-CD2 3.23Å; E359-L557 WeakPolarHBondContact OE1-CD2 3.44Å
360	S	76.4	Confident	74	Confident	19 Å²	19	50.9 Å²	50.9	13%	0.133	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-71.4	-11.7	178.3	77.5	0	0	0	0	114.3	R356 T357 V358 N366	R356-S360 WeakPolarHBondContact CB-OG 3.46Å; T357-S360 WeakPolarHBondContact O-CB 3.38Å; T357-S360 PolarHBondContact O-N 2.71Å; T357-S360 PolarHBondContact O-OG 3.4Å; V358-S360 PolarHBondContact O-N 3.03Å; S360-N366 CarbonylContact O-C 3.6Å; S360-N366 WeakPolarHBondContact O-CB 3.26Å
361	Y	77.1	Confident	74.1	Confident	15 Å²	15	49.6 Å²	49.6	6%	0.059	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-86	-16.3	169.6	-68.9	-95.8	0	0	0	112.6	T351 R356 V358 E359 A367 D369 M370 F371	T351-Y361 HydrophobicContact CG2-CD2 4.47Å; T351-Y361 HydrophobicContact CG2-CE2 3.9Å; R356-Y361 HydrophobicContact CB-CE2 3.88Å; V358-Y361 PolarHBondContact O-N 3.1Å; V358-Y361 VanDerWaalsContact O-N 3.16Å; E359-Y361 PolarHBondContact O-N 2.93Å; Y361-A367 WeakPolarHBondContact O-CA 3.36Å; Y361-D369 HydrophobicContact CD1-CB 4.3Å; Y361-D369 HydrophobicContact CE1-CB 4.41Å; Y361-M370 VanDerWaalsContact CD1-O 3.25Å; Y361-M370 WeakPolarHBondContact CD1-O 3.28Å; Y361-M370 WeakPolarHBondContact CE1-O 3.35Å; Y361-F371 HydrophobicContact CD2-CD1 4.47Å; Y361-F371 HydrophobicContact CG-CD1 4.01Å; Y361-F371 HydrophobicContact CG-CE1 4.49Å
362	V	71.2	Confident	74.3	Confident	36 Å²	36	49.9 Å²	49.9	22%	0.218	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-11.4	178.8	-69.5	0	0	0	0	113.7	E359 F371 Y500 E513	E359-V362 CarbonylContact O-C 3.53Å; E359-V362 VanDerWaalsContact O-CG2 3.24Å; E359-V362 WeakPolarHBondContact O-CG2 3.4Å; E359-V362 PolarHBondContact O-N 2.85Å; V362-F371 HydrophobicContact CG1-CE1 4.33Å; V362-F371 HydrophobicContact CG1-CZ 3.89Å; V362-Y500 HydrophobicContact CB-CE1 4.41Å; V362-Y500 HydrophobicContact CG1-CD1 4.04Å; V362-Y500 HydrophobicContact CG1-CE1 4.19Å; V362-Y500 HydrophobicContact CG2-CE1 3.98Å; V362-E513 HydrophobicContact CG1-CB 3.69Å
363	T	60.9	Low	74.8	Confident	73 Å²	73	44.7 Å²	44.7	45%	0.448	27%	0.273	S	S	.	.	S	Bend	trans	-128.9	155.6	179.7	63	0	0	0	0	113.7	E359	E359-T363 PolarHBondContact O-N 2.86Å; E359-T363 PolarHBondContact O-OG1 2.96Å
364	G	51.3	Low	75.3	Confident	67 Å²	67	44 Å²	44	69%	0.691	27%	0.268	S	S	*	.	S	Bend	trans	70.4	-167.1	175.7	0	0	0	0	0	115.2	N366 A367	G364-N366 PolarHBondContact O-N 3.12Å; G364-A367 WeakPolarHBondContact O-CB 3.23Å; G364-A367 PolarHBondContact O-N 2.99Å
365	N	50	Low	75.8	Confident	101 Å²	101	41.6 Å²	41.6	54%	0.54	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.7	-178.9	-79.4	-33.4	0	0	0	113.7
366	N	55.8	Low	76.4	Confident	74 Å²	74	38.2 Å²	38.2	40%	0.396	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-12.9	-180	-69.1	-19.3	0	0	0	113.4	S360 G364 Q368 D369	S360-N366 CarbonylContact O-C 3.6Å; S360-N366 WeakPolarHBondContact O-CB 3.26Å; G364-N366 PolarHBondContact O-N 3.12Å; N366-Q368 PolarHBondContact O-N 3.19Å; N366-D369 PolarHBondContact O-N 2.91Å
367	A	58.8	Low	77.2	Confident	33 Å²	33	35.3 Å²	35.3	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	31.4	174.2	0	0	0	0	0	114.5	Y361 G364	Y361-A367 WeakPolarHBondContact O-CA 3.36Å; G364-A367 WeakPolarHBondContact O-CB 3.23Å; G364-A367 PolarHBondContact O-N 2.99Å
368	Q	64.3	Low	77.7	Confident	99 Å²	99	32 Å²	32	46%	0.463	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-6.6	165.3	-65.5	-176.9	64.8	0	0	111.9	N366 P433	N366-Q368 PolarHBondContact O-N 3.19Å; Q368-P433 WeakPolarHBondContact O-CB 3.19Å
369	D	76.9	Confident	78.2	Confident	57 Å²	57	31.9 Å²	31.9	31%	0.305	19%	0.191	S	C	.	.	S	Bend	trans	-97.2	132.6	174	-66.9	-34.6	0	0	0	110	R356 Y361 N366	R356-D369 IonicContact CZ-OD2 2.74Å; R356-D369 VanDerWaalsContact CZ-OD2 3.24Å; R356-D369 IonicContact NH1-OD2 3.72Å; R356-D369 PolarHBondContact NH1-OD2 3.36Å; R356-D369 IonicContact NH2-OD2 3.96Å; R356-D369 PolarHBondContact NH2-OD2 3.46Å; Y361-D369 HydrophobicContact CD1-CB 4.3Å; Y361-D369 HydrophobicContact CE1-CB 4.41Å; N366-D369 PolarHBondContact O-N 2.91Å
370	M	87	Confident	78.6	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.039	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-65.6	154.5	174.7	53	167.7	38.6	0	0	112	Y361 N374 I376 S432 P433 M511 E513	Y361-M370 VanDerWaalsContact CD1-O 3.25Å; Y361-M370 WeakPolarHBondContact CD1-O 3.28Å; Y361-M370 WeakPolarHBondContact CE1-O 3.35Å; M370-N374 HydrophobicContact CB-CB 4.46Å; M370-N374 HydrophobicContact CE-CB 4.5Å; M370-N374 HydrophobicContact SD-CB 4.47Å; M370-I376 HydrophobicContact CE-CD1 4.1Å; M370-I376 HydrophobicContact CE-CG1 4.24Å; M370-S432 WeakPolarHBondContact CE-O 3.38Å; M370-S432 PolarHBondContact SD-N 2.68Å; M370-P433 HydrophobicContact CG-CB 4.42Å; M370-M511 HydrophobicContact CB-CB 4.3Å; M370-M511 HydrophobicContact CE-CB 4.01Å; M370-M511 HydrophobicContact CE-CE 4.08Å; M370-M511 HydrophobicContact CE-CG 3.55Å; M370-E513 WeakPolarHBondContact CA-OE1 3.46Å
371	F	91.9	Very high	78.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-55.3	143	167.8	-70.7	-50.1	0	0	0	111.5	V358 Y361 V362 W373 N374 Y500 E513 V555	V358-F371 HydrophobicContact CG1-CE1 3.81Å; V358-F371 HydrophobicContact CG1-CZ 4.36Å; Y361-F371 HydrophobicContact CD2-CD1 4.47Å; Y361-F371 HydrophobicContact CG-CD1 4.01Å; Y361-F371 HydrophobicContact CG-CE1 4.49Å; V362-F371 HydrophobicContact CG1-CE1 4.33Å; V362-F371 HydrophobicContact CG1-CZ 3.89Å; F371-W373 HydrophobicContact CB-CD2 4.19Å; F371-W373 VanDerWaalsContact CB-CE2 3.49Å; F371-W373 HydrophobicContact CB-CG 4.49Å; F371-W373 HydrophobicContact CB-CH2 4.48Å; F371-W373 HydrophobicContact CB-CZ2 3.66Å; F371-W373 HydrophobicContact CD1-CH2 4.25Å; F371-W373 AromaticContact CD1-CZ2 3.69Å; F371-W373 HydrophobicContact CD1-CZ2 3.69Å; F371-W373 HydrophobicContact CD2-CZ2 4.01Å; F371-W373 AromaticContact CD2-NE1 3.79Å; F371-W373 HydrophobicContact CE1-CZ2 4.27Å; F371-W373 AromaticContact CG-CE2 3.83Å; F371-W373 HydrophobicContact CG-CH2 4.46Å; F371-W373 AromaticContact CG-CZ2 3.55Å; F371-W373 HydrophobicContact CG-CZ2 3.55Å; F371-W373 AromaticContact CG-NE1 3.81Å; F371-W373 PolarHBondContact O-N 2.94Å; F371-W373 VanDerWaalsContact O-N 3.11Å; F371-N374 WeakPolarHBondContact O-CB 3.26Å; F371-N374 PolarHBondContact O-N 2.95Å; F371-Y500 HydrophobicContact CE2-CG 4.48Å; F371-Y500 HydrophobicContact CZ-CD2 4.35Å; F371-Y500 HydrophobicContact CZ-CG 4.18Å; F371-E513 HydrophobicContact CD2-CG 3.51Å; F371-E513 HydrophobicContact CE2-CB 4.25Å; F371-E513 HydrophobicContact CE2-CG 3.52Å; F371-E513 HydrophobicContact CG-CG 4.2Å; F371-E513 HydrophobicContact CZ-CG 4.22Å; F371-E513 PolarHBondContact N-OE1 3.18Å; F371-V555 HydrophobicContact CD2-CG2 4.42Å; F371-V555 HydrophobicContact CE2-CG2 3.99Å
372	P	93.2	Very high	78.8	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.058	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.3	-168.6	27.2	-34.3	0	0	0	115.1	T351 F354 V481	T351-P372 HydrophobicContact CG2-CG 4Å; F354-P372 HydrophobicContact CD2-CB 4.41Å; F354-P372 HydrophobicContact CD2-CG 4.44Å; F354-P372 HydrophobicContact CE2-CB 3.7Å; F354-P372 HydrophobicContact CE2-CG 4.03Å; F354-P372 HydrophobicContact CZ-CB 4.46Å; P372-V481 WeakPolarHBondContact O-CA 3.5Å; P372-V481 WeakPolarHBondContact O-CB 3.33Å; P372-V481 WeakPolarHBondContact O-CG1 3.37Å
373	W	94.7	Very high	79.2	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.9	171.3	40.8	80.8	0	0	0	113.8	T351 F371 S390 L391 V482 V484 V562	T351-W373 HydrophobicContact CG2-CH2 4.01Å; T351-W373 HydrophobicContact CG2-CZ3 3.97Å; F371-W373 HydrophobicContact CB-CD2 4.19Å; F371-W373 VanDerWaalsContact CB-CE2 3.49Å; F371-W373 HydrophobicContact CB-CG 4.49Å; F371-W373 HydrophobicContact CB-CH2 4.48Å; F371-W373 HydrophobicContact CB-CZ2 3.66Å; F371-W373 HydrophobicContact CD1-CH2 4.25Å; F371-W373 AromaticContact CD1-CZ2 3.69Å; F371-W373 HydrophobicContact CD1-CZ2 3.69Å; F371-W373 HydrophobicContact CD2-CZ2 4.01Å; F371-W373 AromaticContact CD2-NE1 3.79Å; F371-W373 HydrophobicContact CE1-CZ2 4.27Å; F371-W373 AromaticContact CG-CE2 3.83Å; F371-W373 HydrophobicContact CG-CH2 4.46Å; F371-W373 AromaticContact CG-CZ2 3.55Å; F371-W373 HydrophobicContact CG-CZ2 3.55Å; F371-W373 AromaticContact CG-NE1 3.81Å; F371-W373 PolarHBondContact O-N 2.94Å; F371-W373 VanDerWaalsContact O-N 3.11Å; W373-S390 CarbonylContact O-C 3.56Å; W373-S390 WeakPolarHBondContact O-CA 3.5Å; W373-L391 PolarHBondContact O-N 2.84Å; W373-V482 WeakPolarHBondContact CA-O 3.44Å; W373-V482 WeakPolarHBondContact CB-O 3.42Å; W373-V482 PolarHBondContact N-O 3.43Å; W373-V484 HydrophobicContact CB-CB 4.02Å; W373-V484 HydrophobicContact CB-CG1 4.4Å; W373-V484 HydrophobicContact CD2-CB 3.87Å; W373-V484 HydrophobicContact CD2-CG2 4.27Å; W373-V484 HydrophobicContact CE3-CB 4.21Å; W373-V484 HydrophobicContact CG-CB 3.78Å; W373-V484 HydrophobicContact CG-CG1 4.39Å; W373-V562 HydrophobicContact CH2-CB 3.86Å; W373-V562 HydrophobicContact CH2-CG1 3.88Å; W373-V562 HydrophobicContact CH2-CG2 3.82Å; W373-V562 HydrophobicContact CZ2-CB 4.18Å; W373-V562 HydrophobicContact CZ2-CG1 3.66Å; W373-V562 HydrophobicContact CZ2-CG2 4.3Å; W373-V562 HydrophobicContact CZ3-CB 4.46Å
374	N	94.8	Very high	80.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.1	-171.6	-78.1	-21.2	0	0	0	112.8	M370 F371 T502 M511 E513 P553	M370-N374 HydrophobicContact CB-CB 4.46Å; M370-N374 HydrophobicContact CE-CB 4.5Å; M370-N374 HydrophobicContact SD-CB 4.47Å; F371-N374 WeakPolarHBondContact O-CB 3.26Å; F371-N374 PolarHBondContact O-N 2.95Å; N374-T502 WeakPolarHBondContact ND2-CG2 3.26Å; N374-T502 PolarHBondContact ND2-OG1 2.63Å; N374-M511 HydrophobicContact CB-CE 4.09Å; N374-E513 PolarHBondContact ND2-OE1 2.84Å; N374-P553 WeakPolarHBondContact OD1-CG 3.39Å
375	V	94.8	Very high	82.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.7	178.7	-62.8	0	0	0	0	112.3	I388 G389 I407 I428 F429 A430	V375-I388 CarbonylContact O-C 3.55Å; V375-I388 WeakPolarHBondContact O-CA 3.4Å; V375-G389 VanDerWaalsContact CG2-C 3.42Å; V375-G389 WeakPolarHBondContact CG2-O 3.38Å; V375-G389 PolarHBondContact N-O 2.86Å; V375-G389 PolarHBondContact O-N 2.98Å; V375-I407 HydrophobicContact CG1-CD1 4.24Å; V375-I407 HydrophobicContact CG2-CD1 3.98Å; V375-I407 HydrophobicContact CG2-CG1 4.15Å; V375-I407 HydrophobicContact CG2-CG2 3.83Å; V375-I428 HydrophobicContact CB-CG2 3.96Å; V375-I428 HydrophobicContact CG1-CG2 4.32Å; V375-I428 HydrophobicContact CG2-CG2 4.4Å; V375-F429 WeakPolarHBondContact CA-O 3.12Å; V375-A430 HydrophobicContact CG1-CB 3.88Å
376	I	93.6	Very high	84	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.8	-177.7	-51.5	179.9	0	0	0	108.9	M370 T378 T385 I428 F429 F435 M511	M370-I376 HydrophobicContact CE-CD1 4.1Å; M370-I376 HydrophobicContact CE-CG1 4.24Å; I376-T378 HydrophobicContact CG2-CG2 3.77Å; I376-T385 HydrophobicContact CG2-CG2 3.59Å; I376-I428 WeakPolarHBondContact O-CA 3.29Å; I376-F429 HydrophobicContact CB-CB 4.47Å; I376-F429 PolarHBondContact N-O 3.38Å; I376-F429 PolarHBondContact O-N 3.49Å; I376-F435 HydrophobicContact CD1-CB 3.59Å; I376-F435 HydrophobicContact CD1-CG 4.11Å; I376-F435 HydrophobicContact CG2-CD1 4.42Å; I376-M511 HydrophobicContact CD1-CG 3.81Å; I376-M511 HydrophobicContact CD1-SD 4.14Å; I376-M511 HydrophobicContact CG1-CE 4.2Å; I376-M511 HydrophobicContact CG1-CG 4.21Å; I376-M511 HydrophobicContact CG1-SD 4Å
377	I	93.7	Very high	85.8	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.2	178.9	-56.2	173.9	0	0	0	108.8	K386 C387 T409 I428 L469	I377-K386 PolarHBondContact O-N 2.88Å; I377-C387 HydrophobicContact CB-CB 4.3Å; I377-C387 HydrophobicContact CD1-CB 4.29Å; I377-C387 PolarHBondContact N-O 2.91Å; I377-C387 PolarHBondContact O-N 2.83Å; I377-T409 HydrophobicContact CD1-CG2 3.65Å; I377-T409 WeakPolarHBondContact CD1-OG1 3.46Å; I377-I428 HydrophobicContact CG1-CG1 4.47Å; I377-L469 HydrophobicContact CD1-CD1 4.05Å
378	T	91.8	Very high	87.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.7	-168.1	71.6	0	0	0	0	111.8	I376 S384 L426 L427 F429 F435	I376-T378 HydrophobicContact CG2-CG2 3.77Å; T378-S384 WeakPolarHBondContact CA-O 3.09Å; T378-L426 CarbonylContact O-C 3.53Å; T378-L426 VanDerWaalsContact O-CA 3.28Å; T378-L426 WeakPolarHBondContact O-CA 3.49Å; T378-L427 PolarHBondContact N-O 2.87Å; T378-L427 PolarHBondContact O-N 3Å; T378-L427 PolarHBondContact OG1-O 3.09Å; T378-F429 HydrophobicContact CG2-CD2 3.95Å; T378-F429 HydrophobicContact CG2-CE2 4.34Å; T378-F429 WeakPolarHBondContact OG1-CE2 3.3Å; T378-F435 HydrophobicContact CG2-CE1 3.71Å; T378-F435 HydrophobicContact CG2-CE2 4.29Å; T378-F435 HydrophobicContact CG2-CZ 3.6Å
379	S	88.8	Confident	89	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.6	167.3	54.5	0	0	0	0	111	V381 G383 S384 E425	S379-V381 VanDerWaalsContact C-N 3.34Å; S379-V381 PolarHBondContact O-N 3.44Å; S379-G383 VanDerWaalsContact O-CA 3.31Å; S379-G383 WeakPolarHBondContact O-CA 3.41Å; S379-G383 PolarHBondContact O-N 3.34Å; S379-S384 PolarHBondContact N-O 3.04Å; S379-S384 PolarHBondContact OG-N 2.88Å; S379-S384 PolarHBondContact OG-O 2.76Å; S379-S384 PolarHBondContact OG-OG 2.93Å; S379-E425 CarbonylContact C-O 3.59Å
380	R	84.1	Confident	90	Very high	127 Å²	127	25.2 Å²	25.2	48%	0.479	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-53.7	178	-174	174.7	-177.3	163.3	-1.9	112.3	S424 E425 L427 R440	R380-S424 WeakPolarHBondContact CD-O 3.23Å; R380-S424 PolarHBondContact NH1-O 2.78Å; R380-E425 WeakPolarHBondContact CB-O 3.45Å; R380-E425 PolarHBondContact N-O 2.97Å; R380-L427 HydrophobicContact CB-CD1 4.17Å; R380-L427 HydrophobicContact CB-CG 4.1Å; R380-L427 HydrophobicContact CG-CD1 3.95Å; R380-L427 HydrophobicContact CG-CG 4.17Å; R380-R440 PolarHBondContact O-NH1 2.9Å
381	V	80.2	Confident	90.4	Very high	117 Å²	117	24.9 Å²	24.9	71%	0.709	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-72.6	-179.2	-175.7	0	0	0	0	111.3	S379 G383	S379-V381 VanDerWaalsContact C-N 3.34Å; S379-V381 PolarHBondContact O-N 3.44Å; V381-G383 PolarHBondContact O-N 2.83Å; V381-G383 VanDerWaalsContact O-N 3.16Å
382	K	77.6	Confident	90.6	Very high	157 Å²	157	24.9 Å²	24.9	68%	0.683	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-7.1	-169.9	-61.8	-169.9	177.8	-175.7	0	114.8	S384	K382-S384 PolarHBondContact O-N 3.46Å
383	G	78.7	Confident	90.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.			trans	62.8	4.4	-178.4	0	0	0	0	0	115.4	S379 V381	S379-G383 VanDerWaalsContact O-CA 3.31Å; S379-G383 WeakPolarHBondContact O-CA 3.41Å; S379-G383 PolarHBondContact O-N 3.34Å; V381-G383 PolarHBondContact O-N 2.83Å; V381-G383 VanDerWaalsContact O-N 3.16Å
384	S	83.7	Confident	90.3	Very high	20 Å²	20	33.1 Å²	33.1	14%	0.14	15%	0.151	C	C	.	.			trans	-74.7	127.2	179.4	59.2	0	0	0	0	110.8	T378 S379 K382 K386	T378-S384 WeakPolarHBondContact CA-O 3.09Å; S379-S384 PolarHBondContact N-O 3.04Å; S379-S384 PolarHBondContact OG-N 2.88Å; S379-S384 PolarHBondContact OG-O 2.76Å; S379-S384 PolarHBondContact OG-OG 2.93Å; K382-S384 PolarHBondContact O-N 3.46Å; S384-K386 PolarHBondContact O-N 3.13Å; S384-K386 WeakPolarHBondContact OG-CE 3.07Å; S384-K386 PolarHBondContact OG-NZ 3.34Å
385	T	89.1	Confident	89.8	Confident	13 Å²	13	34.1 Å²	34.1	8%	0.08	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.3	134.4	157.1	-48.7	0	0	0	0	109.9	I376 Y504 I548	I376-T385 HydrophobicContact CG2-CG2 3.59Å; T385-Y504 HydrophobicContact CG2-CD1 4Å; T385-Y504 HydrophobicContact CG2-CD2 4.49Å; T385-Y504 HydrophobicContact CG2-CE1 4.32Å; T385-Y504 HydrophobicContact CG2-CG 4.09Å; T385-I548 HydrophobicContact CG2-CD1 3.84Å
386	K	90.5	Very high	89	Confident	67 Å²	67	36 Å²	36	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-49.1	176.6	-60	-53.7	-170.1	-170	0	110.6	I377 S384 Y417	I377-K386 PolarHBondContact O-N 2.88Å; S384-K386 PolarHBondContact O-N 3.13Å; S384-K386 WeakPolarHBondContact OG-CE 3.07Å; S384-K386 PolarHBondContact OG-NZ 3.34Å; K386-Y417 WeakPolarHBondContact CE-OH 3.34Å
387	C	94.2	Very high	88.3	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	167.3	-172.6	-75	0	0	0	0	110.6	I377 C413 L550	I377-C387 HydrophobicContact CB-CB 4.3Å; I377-C387 HydrophobicContact CD1-CB 4.29Å; I377-C387 PolarHBondContact N-O 2.91Å; I377-C387 PolarHBondContact O-N 2.83Å; C387-C413 HydrophobicContact CB-CB 3.87Å; C387-C413 WeakPolarHBondContact CB-SG 3.4Å; C387-C413 WeakPolarHBondContact SG-CA 3.24Å; C387-C413 WeakPolarHBondContact SG-CB 3.39Å; C387-C413 CovalentContact SG-SG 2.01Å; C387-C413 PolarHBondContact SG-SG 2.98Å; C387-L550 VanDerWaalsContact CA-O 3.25Å; C387-L550 WeakPolarHBondContact CA-O 3.42Å; C387-L550 WeakPolarHBondContact CB-O 3.46Å; C387-L550 VanDerWaalsContact SG-CG 3.59Å; C387-L550 PolarHBondContact SG-O 2.83Å
388	I	94.7	Very high	87.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	163	163.7	-65	166	0	0	0	107.6	V375 T409 T502 M511 I548 L550 G551 S552	V375-I388 CarbonylContact O-C 3.55Å; V375-I388 WeakPolarHBondContact O-CA 3.4Å; I388-T409 PolarHBondContact O-OG1 3.4Å; I388-T502 HydrophobicContact CD1-CG2 4.4Å; I388-M511 HydrophobicContact CB-CE 4.46Å; I388-M511 HydrophobicContact CD1-CE 3.83Å; I388-M511 HydrophobicContact CD1-SD 3.74Å; I388-M511 HydrophobicContact CG1-CE 3.79Å; I388-M511 HydrophobicContact CG1-SD 3.87Å; I388-M511 HydrophobicContact CG2-CE 3.84Å; I388-I548 WeakPolarHBondContact CD1-O 3.3Å; I388-L550 PolarHBondContact N-O 2.66Å; I388-G551 CarbonylContact C-O 3.08Å; I388-G551 CarbonylContact O-C 3.53Å; I388-G551 VanDerWaalsContact O-C 3.27Å; I388-G551 WeakPolarHBondContact O-CA 3.45Å; I388-S552 WeakPolarHBondContact CD1-OG 3.13Å
389	G	95.6	Very high	87.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	177.8	164.8	0	0	0	0	0	110.4	V375 I408	V375-G389 VanDerWaalsContact CG2-C 3.42Å; V375-G389 WeakPolarHBondContact CG2-O 3.38Å; V375-G389 PolarHBondContact N-O 2.86Å; V375-G389 PolarHBondContact O-N 2.98Å; G389-I408 VanDerWaalsContact CA-O 3.3Å; G389-I408 WeakPolarHBondContact CA-O 3.09Å
390	S	97	Very high	87.2	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.4	174.8	48.3	0	0	0	0	111	W373 I407 I408 L564	W373-S390 CarbonylContact O-C 3.56Å; W373-S390 WeakPolarHBondContact O-CA 3.5Å; S390-I407 CarbonylContact O-C 3.42Å; S390-I407 WeakPolarHBondContact O-CA 3.41Å; S390-I408 PolarHBondContact N-O 3.2Å; S390-I408 PolarHBondContact O-N 3.4Å; S390-L564 WeakPolarHBondContact OG-CD2 3.3Å
391	L	96.3	Very high	87.2	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.3	165.7	-172.8	74.8	0	0	0	108.3	W373 I407 L471 L475 V481 P483 V484	W373-L391 PolarHBondContact O-N 2.84Å; L391-I407 HydrophobicContact CB-CG1 4.48Å; L391-I407 HydrophobicContact CD1-CD1 4.47Å; L391-I407 HydrophobicContact CD1-CG1 3.95Å; L391-L471 HydrophobicContact CD1-CD1 4.47Å; L391-L475 HydrophobicContact CD2-CB 4.17Å; L391-V481 HydrophobicContact CD2-CB 4.16Å; L391-V481 HydrophobicContact CD2-CG2 3.63Å; L391-P483 HydrophobicContact CD2-CB 4.42Å; L391-P483 HydrophobicContact CG-CB 4.24Å; L391-P483 CarbonylContact O-C 3.52Å; L391-P483 VanDerWaalsContact O-CA 3.28Å; L391-P483 WeakPolarHBondContact O-CA 3.33Å; L391-V484 PolarHBondContact O-N 3.35Å
392	V	95.9	Very high	87.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-121.7	156.9	-170.9	-60.2	0	0	0	0	113	S404 L406 I408 P483 V484 L486 L564	V392-S404 WeakPolarHBondContact O-CB 3.29Å; V392-S404 PolarHBondContact O-OG 3.27Å; V392-L406 HydrophobicContact CG2-CB 3.94Å; V392-L406 PolarHBondContact N-O 2.75Å; V392-I408 HydrophobicContact CB-CD1 4.43Å; V392-I408 HydrophobicContact CG1-CB 4.3Å; V392-I408 HydrophobicContact CG1-CD1 3.99Å; V392-I408 HydrophobicContact CG1-CG1 3.95Å; V392-I408 HydrophobicContact CG2-CD1 3.85Å; V392-I408 HydrophobicContact CG2-CG1 3.78Å; V392-P483 VanDerWaalsContact C-CB 3.46Å; V392-V484 HydrophobicContact CG1-CG1 3.97Å; V392-L486 HydrophobicContact CB-CD2 3.93Å; V392-L486 HydrophobicContact CG1-CD2 4Å; V392-L486 HydrophobicContact CG2-CD2 4.39Å; V392-L564 HydrophobicContact CG1-CD2 3.7Å
393	H	93.3	Very high	88	Confident	21 Å²	21	45.5 Å²	45.5	10%	0.097	23%	0.231	C	C	.	.			trans	-103.6	136.4	170	-172.8	66.6	0	0	0	110.4	C348 G395 A401 P483 V484 L486	C348-H393 HydrophobicContact CB-CB 3.62Å; H393-G395 PolarHBondContact CD2-N 3.48Å; H393-G395 VanDerWaalsContact CD2-N 3.26Å; H393-G395 PolarHBondContact CD2-O 2.81Å; H393-G395 VanDerWaalsContact NE2-CA 3.34Å; H393-G395 WeakPolarHBondContact NE2-CA 3.44Å; H393-G395 PolarHBondContact NE2-N 2.75Å; H393-A401 HydrophobicContact CB-CB 4.27Å; H393-A401 WeakPolarHBondContact ND1-CB 3.08Å; H393-P483 HydrophobicContact CB-CB 4.09Å; H393-P483 HydrophobicContact CB-CG 4.06Å; H393-V484 PolarHBondContact N-O 2.75Å; H393-V484 VanDerWaalsContact N-O 3.08Å; H393-L486 WeakPolarHBondContact O-CD1 3.43Å; H393-L486 WeakPolarHBondContact O-CG 3.13Å
394	R	89	Confident	88.7	Confident	162 Å²	162	46 Å²	46	61%	0.611	23%	0.234	S	C	*	.			trans	-85.1	-24.1	179.7	177.8	175.3	172.5	-133.9	0.6	113.3	L406 F597	R394-L406 HydrophobicContact CB-CD1 4.17Å; R394-F597 HydrophobicContact CG-CB 4.01Å; R394-F597 HydrophobicContact CG-CD1 4.28Å; R394-F597 HydrophobicContact CG-CD2 4.21Å; R394-F597 HydrophobicContact CG-CG 3.92Å; R394-F597 PolarHBondContact NE-O 2.04Å; R394-F597 PolarHBondContact NH2-O 2.8Å
395	G	82.9	Confident	89.2	Confident	21 Å²	21	47.1 Å²	47.1	22%	0.216	24%	0.239	C	C	.	.	S	Bend	trans	-76.6	169.8	179.3	0	0	0	0	0	113.5	H393	H393-G395 PolarHBondContact CD2-N 3.48Å; H393-G395 VanDerWaalsContact CD2-N 3.26Å; H393-G395 PolarHBondContact CD2-O 2.81Å; H393-G395 VanDerWaalsContact NE2-CA 3.34Å; H393-G395 WeakPolarHBondContact NE2-CA 3.44Å; H393-G395 PolarHBondContact NE2-N 2.75Å
396	G	79	Confident	89.5	Confident	40 Å²	40	48 Å²	48	41%	0.412	24%	0.243	S	C	.	.			trans	-67	159.1	170.4	0	0	0	0	0	111.9	Q398 Q399	G396-Q398 PolarHBondContact O-N 2.84Å; G396-Q399 WeakPolarHBondContact O-CB 3.03Å; G396-Q399 PolarHBondContact O-N 2.72Å
397	Y	79.3	Confident	89.8	Confident	102 Å²	102	44.8 Å²	44.8	40%	0.4	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.3	-172.1	69.5	-87.5	0	0	0	114.8	Q399 R561	Y397-Q399 VanDerWaalsContact C-N 3.28Å; Y397-Q399 PolarHBondContact O-N 3.31Å; Y397-R561 PolarHBondContact O-NH1 3.11Å
398	Q	79	Confident	89.9	Confident	142 Å²	142	44.7 Å²	44.7	66%	0.664	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10	176.9	-59.4	-178.3	-12.8	0	0	113.7	Y347 G396	Y347-Q398 WeakPolarHBondContact CE1-O 3.42Å; G396-Q398 PolarHBondContact O-N 2.84Å
399	Q	85.4	Confident	90	Very high	111 Å²	111	44.7 Å²	44.7	52%	0.519	23%	0.228	S	C	.	.	S	Bend	trans	-82.9	146.5	-177.7	-60.4	-179.3	18	0	0	111.3	G396 Y397 A401	G396-Q399 WeakPolarHBondContact O-CB 3.03Å; G396-Q399 PolarHBondContact O-N 2.72Å; Y397-Q399 VanDerWaalsContact C-N 3.28Å; Y397-Q399 PolarHBondContact O-N 3.31Å; Q399-A401 PolarHBondContact O-N 3.3Å
400	I	85.1	Confident	90	Very high	95 Å²	95	44.8 Å²	44.8	49%	0.487	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-75.4	120.3	-179.1	-60.5	175.2	0	0	0	109.3	P345 V346 Y347 N402	P345-I400 HydrophobicContact CB-CD1 4.1Å; P345-I400 HydrophobicContact CB-CG1 4.18Å; P345-I400 HydrophobicContact CB-CG2 4.49Å; V346-I400 CarbonylContact O-C 3.58Å; Y347-I400 HydrophobicContact CE1-CG1 4.22Å; I400-N402 HydrophobicContact CG2-CB 4.42Å; I400-N402 VanDerWaalsContact CG2-CG 3.44Å; I400-N402 WeakPolarHBondContact CG2-OD1 3.2Å
401	A	84.8	Confident	89.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.008	23%	0.229	C	C	.	.			trans	-107.2	39.1	-171.7	0	0	0	0	0	112.8	V346 C348 H393 Q399 T403 P483	V346-A401 PolarHBondContact O-N 2.83Å; C348-A401 HydrophobicContact CB-CB 4.15Å; H393-A401 HydrophobicContact CB-CB 4.27Å; H393-A401 WeakPolarHBondContact ND1-CB 3.08Å; Q399-A401 PolarHBondContact O-N 3.3Å; A401-T403 PolarHBondContact O-N 2.84Å; A401-P483 HydrophobicContact CB-CG 3.82Å
402	N	84.2	Confident	89.6	Confident	78 Å²	78	47.1 Å²	47.1	42%	0.417	24%	0.241	S	C	.	.	S	Bend	trans	-50.9	-31	-175.7	-74.4	-15.4	0	0	0	114.7	I400	I400-N402 HydrophobicContact CG2-CB 4.42Å; I400-N402 VanDerWaalsContact CG2-CG 3.44Å; I400-N402 WeakPolarHBondContact CG2-OD1 3.2Å
403	T	90.2	Very high	89.4	Confident	81 Å²	81	47.6 Å²	47.6	50%	0.497	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.8	179.1	60.3	0	0	0	0	112	A401 L475	A401-T403 PolarHBondContact O-N 2.84Å; T403-L475 CarbonylContact C-O 3.42Å; T403-L475 WeakPolarHBondContact CA-O 3.36Å
404	S	93.7	Very high	89.4	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.2	164.7	-178.9	0	0	0	0	112.2	V392 L406 P474 L475	V392-S404 WeakPolarHBondContact O-CB 3.29Å; V392-S404 PolarHBondContact O-OG 3.27Å; S404-L406 PolarHBondContact OG-N 2.94Å; S404-L406 VanDerWaalsContact OG-N 3.12Å; S404-P474 WeakPolarHBondContact O-CA 3.36Å; S404-L475 PolarHBondContact N-O 3.06Å; S404-L475 PolarHBondContact O-N 2.81Å
405	D	94.7	Very high	89.3	Confident	45 Å²	45	44.8 Å²	44.8	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	5.7	169.8	65.7	-19	0	0	0	112.9	K470 L471 P474	D405-K470 CarbonylContact O-C 3.59Å; D405-K470 WeakPolarHBondContact O-CA 3.46Å; D405-K470 WeakPolarHBondContact OD2-CE 3.25Å; D405-K470 IonicContact OD2-NZ 2.72Å; D405-L471 HydrophobicContact CB-CB 4.21Å; D405-L471 PolarHBondContact O-N 3.47Å; D405-P474 HydrophobicContact CB-CB 4.15Å
406	L	95.5	Very high	89.4	Confident	30 Å²	30	52.4 Å²	52.4	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.2	-174	-63.3	177.7	0	0	0	112	V392 R394 S404 F597	V392-L406 HydrophobicContact CG2-CB 3.94Å; V392-L406 PolarHBondContact N-O 2.75Å; R394-L406 HydrophobicContact CB-CD1 4.17Å; S404-L406 PolarHBondContact OG-N 2.94Å; S404-L406 VanDerWaalsContact OG-N 3.12Å; L406-F597 HydrophobicContact CD1-CE1 3.86Å; L406-F597 HydrophobicContact CD1-CZ 4Å
407	I	96.8	Very high	89.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.7	174.4	-74	158.7	0	0	0	110.7	V375 S390 L391 I428 I468 L469 L471	V375-I407 HydrophobicContact CG1-CD1 4.24Å; V375-I407 HydrophobicContact CG2-CD1 3.98Å; V375-I407 HydrophobicContact CG2-CG1 4.15Å; V375-I407 HydrophobicContact CG2-CG2 3.83Å; S390-I407 CarbonylContact O-C 3.42Å; S390-I407 WeakPolarHBondContact O-CA 3.41Å; L391-I407 HydrophobicContact CB-CG1 4.48Å; L391-I407 HydrophobicContact CD1-CD1 4.47Å; L391-I407 HydrophobicContact CD1-CG1 3.95Å; I407-I428 HydrophobicContact CD1-CD1 3.87Å; I407-I428 HydrophobicContact CD1-CG2 3.9Å; I407-I468 WeakPolarHBondContact O-CA 3.21Å; I407-L469 HydrophobicContact CB-CB 4.28Å; I407-L469 HydrophobicContact CG2-CD1 4.02Å; I407-L469 HydrophobicContact CG2-CG 4.4Å; I407-L469 PolarHBondContact N-O 3.45Å; I407-L469 PolarHBondContact O-N 2.96Å; I407-L471 HydrophobicContact CD1-CD1 3.91Å; I407-L471 HydrophobicContact CD1-CD2 3.75Å; I407-L471 HydrophobicContact CD1-CG 3.96Å
408	I	96.4	Very high	90	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.7	172.8	-54	-174	0	0	0	109.9	G389 S390 V392 I466 I468 L486 V567 I590 A593 F597	G389-I408 VanDerWaalsContact CA-O 3.3Å; G389-I408 WeakPolarHBondContact CA-O 3.09Å; S390-I408 PolarHBondContact N-O 3.2Å; S390-I408 PolarHBondContact O-N 3.4Å; V392-I408 HydrophobicContact CB-CD1 4.43Å; V392-I408 HydrophobicContact CG1-CB 4.3Å; V392-I408 HydrophobicContact CG1-CD1 3.99Å; V392-I408 HydrophobicContact CG1-CG1 3.95Å; V392-I408 HydrophobicContact CG2-CD1 3.85Å; V392-I408 HydrophobicContact CG2-CG1 3.78Å; I408-I466 HydrophobicContact CG2-CB 4.25Å; I408-I466 HydrophobicContact CG2-CD1 4.17Å; I408-I466 HydrophobicContact CG2-CG2 4.47Å; I408-I468 HydrophobicContact CG1-CG1 4.34Å; I408-L486 HydrophobicContact CD1-CD2 4.01Å; I408-V567 HydrophobicContact CG2-CG2 3.76Å; I408-I590 HydrophobicContact CD1-CD1 3.81Å; I408-A593 HydrophobicContact CD1-CB 3.59Å; I408-F597 HydrophobicContact CD1-CE2 4.3Å; I408-F597 HydrophobicContact CD1-CZ 4.42Å
409	T	96.3	Very high	90.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-171.9	-179.8	-173.8	0	0	0	0	109.8	I377 I388 F414 I466 A467 L469 G551	I377-T409 HydrophobicContact CD1-CG2 3.65Å; I377-T409 WeakPolarHBondContact CD1-OG1 3.46Å; I388-T409 PolarHBondContact O-OG1 3.4Å; T409-F414 HydrophobicContact CG2-CE2 3.81Å; T409-F414 HydrophobicContact CG2-CZ 4.43Å; T409-I466 CarbonylContact O-C 3.55Å; T409-I466 WeakPolarHBondContact O-CA 3.1Å; T409-A467 HydrophobicContact CG2-CB 4.02Å; T409-A467 PolarHBondContact N-O 3.12Å; T409-A467 PolarHBondContact O-N 2.87Å; T409-L469 HydrophobicContact CG2-CD1 4.04Å; T409-L469 HydrophobicContact CG2-CD2 4.46Å; T409-L469 HydrophobicContact CG2-CG 4.27Å; T409-G551 WeakPolarHBondContact OG1-CA 3.37Å
410	A	95	Very high	90.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143	178.2	0	0	0	0	0	112.6	D412 C413 L550 L569	A410-D412 PolarHBondContact O-N 3.26Å; A410-C413 WeakPolarHBondContact O-CB 3.07Å; A410-C413 PolarHBondContact O-N 2.86Å; A410-C413 PolarHBondContact O-SG 2.87Å; A410-L550 HydrophobicContact CB-CD1 3.75Å; A410-L550 HydrophobicContact CB-CG 4.09Å; A410-L569 HydrophobicContact CB-CD2 3.56Å
411	A	93.1	Very high	90.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-71.1	-16.8	177	0	0	0	0	0	113.5	C413 F414 L452 R464 G465 A467	A411-C413 VanDerWaalsContact C-N 3.28Å; A411-C413 PolarHBondContact O-N 3.26Å; A411-F414 PolarHBondContact O-N 3.5Å; A411-L452 HydrophobicContact CB-CB 4.49Å; A411-L452 HydrophobicContact CB-CD2 4.36Å; A411-R464 HydrophobicContact CB-CB 3.91Å; A411-R464 HydrophobicContact CB-CG 4.15Å; A411-R464 PolarHBondContact O-NH1 3.24Å; A411-G465 WeakPolarHBondContact CB-O 3.47Å; A411-G465 PolarHBondContact N-O 3.11Å; A411-A467 HydrophobicContact CB-CB 4.41Å
412	D	91.8	Very high	90.3	Very high	50 Å²	50	40 Å²	40	27%	0.267	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-76.9	-13	173.4	-142.8	53.5	0	0	0	113.5	A410 F414 K415 R464 L550	A410-D412 PolarHBondContact O-N 3.26Å; D412-F414 PolarHBondContact O-N 2.03Å; D412-K415 VanDerWaalsContact O-CB 3.29Å; D412-K415 WeakPolarHBondContact O-CB 3.25Å; D412-K415 PolarHBondContact O-N 3.24Å; D412-K415 VanDerWaalsContact O-N 3.16Å; D412-K415 WeakPolarHBondContact OD1-CG 3.48Å; D412-K415 IonicContact OD1-NZ 3.99Å; D412-K415 PolarHBondContact OD1-NZ 3.35Å; D412-K415 IonicContact OD2-NZ 2.67Å; D412-K415 PolarHBondContact OD2-NZ 2.68Å; D412-R464 HydrophobicContact CB-CB 4.3Å; D412-R464 WeakPolarHBondContact OD1-CD 3.36Å; D412-L550 HydrophobicContact CB-CD2 4.27Å
413	C	92.2	Very high	90.5	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.074	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.5	-29.4	165.5	-57.7	0	0	0	0	112	C387 A410 A411	C387-C413 HydrophobicContact CB-CB 3.87Å; C387-C413 WeakPolarHBondContact CB-SG 3.4Å; C387-C413 WeakPolarHBondContact SG-CA 3.24Å; C387-C413 WeakPolarHBondContact SG-CB 3.39Å; C387-C413 CovalentContact SG-SG 2.01Å; C387-C413 PolarHBondContact SG-SG 2.98Å; A410-C413 WeakPolarHBondContact O-CB 3.07Å; A410-C413 PolarHBondContact O-N 2.86Å; A410-C413 PolarHBondContact O-SG 2.87Å; A411-C413 VanDerWaalsContact C-N 3.28Å; A411-C413 PolarHBondContact O-N 3.26Å
414	F	92.3	Very high	90.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-103	21.1	-178.1	-55	-89.9	0	0	0	112.3	T409 A411 D412 K416 Y417 A422 L426 V450 L452 R464 A467 L469	T409-F414 HydrophobicContact CG2-CE2 3.81Å; T409-F414 HydrophobicContact CG2-CZ 4.43Å; A411-F414 PolarHBondContact O-N 3.5Å; D412-F414 PolarHBondContact O-N 2.03Å; F414-K416 PolarHBondContact O-N 2.7Å; F414-Y417 PolarHBondContact O-N 2.04Å; F414-A422 HydrophobicContact CD1-CB 3.82Å; F414-A422 HydrophobicContact CE1-CB 4.01Å; F414-L426 HydrophobicContact CD1-CD1 3.84Å; F414-L426 HydrophobicContact CE1-CD1 3.47Å; F414-L426 VanDerWaalsContact CE1-CD1 3.47Å; F414-L426 HydrophobicContact CZ-CD1 4.39Å; F414-V450 HydrophobicContact CD1-CG1 4.01Å; F414-V450 HydrophobicContact CE1-CG1 4Å; F414-V450 HydrophobicContact CE1-CG2 4.31Å; F414-V450 HydrophobicContact CG-CG1 4.37Å; F414-V450 HydrophobicContact CZ-CG1 4.39Å; F414-L452 HydrophobicContact CB-CD1 4.01Å; F414-L452 HydrophobicContact CB-CD2 3.81Å; F414-L452 HydrophobicContact CD2-CD2 3.68Å; F414-L452 HydrophobicContact CE2-CD2 4.49Å; F414-L452 HydrophobicContact CG-CD2 3.8Å; F414-R464 PolarHBondContact O-NH1 2.81Å; F414-A467 HydrophobicContact CD2-CB 3.93Å; F414-A467 HydrophobicContact CE2-CB 3.77Å; F414-L469 HydrophobicContact CE1-CD2 4.2Å; F414-L469 HydrophobicContact CE2-CD2 3.84Å; F414-L469 HydrophobicContact CZ-CD1 3.95Å; F414-L469 HydrophobicContact CZ-CD2 3.41Å; F414-L469 VanDerWaalsContact CZ-CD2 3.41Å; F414-L469 HydrophobicContact CZ-CG 4.33Å
415	K	86.7	Confident	90.1	Very high	123 Å²	123	42.1 Å²	42.1	54%	0.535	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-10.1	-179.7	-157.6	-162.3	-153	82.5	0	114.6	D412	D412-K415 VanDerWaalsContact O-CB 3.29Å; D412-K415 WeakPolarHBondContact O-CB 3.25Å; D412-K415 PolarHBondContact O-N 3.24Å; D412-K415 VanDerWaalsContact O-N 3.16Å; D412-K415 WeakPolarHBondContact OD1-CG 3.48Å; D412-K415 IonicContact OD1-NZ 3.99Å; D412-K415 PolarHBondContact OD1-NZ 3.35Å; D412-K415 IonicContact OD2-NZ 2.67Å; D412-K415 PolarHBondContact OD2-NZ 2.68Å
416	K	85.9	Confident	90	Very high	181 Å²	181	40.1 Å²	40.1	79%	0.787	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.9	14.4	-175.7	-57.3	-169.4	178.9	-168.9	0	113.1	F414	F414-K416 PolarHBondContact O-N 2.7Å
417	Y	86.3	Confident	89.8	Confident	27 Å²	27	39.1 Å²	39.1	11%	0.106	21%	0.209	C	C	.	.			trans	-139	127.8	-171.1	-62	-72	0	0	0	108.8	K386 F414 E425 L426	K386-Y417 WeakPolarHBondContact CE-OH 3.34Å; F414-Y417 PolarHBondContact O-N 2.04Å; Y417-E425 HydrophobicContact CD1-CB 4.2Å; Y417-E425 HydrophobicContact CE1-CB 3.96Å; Y417-E425 WeakPolarHBondContact CE1-OE2 3.44Å; Y417-L426 HydrophobicContact CD2-CD1 4.21Å; Y417-L426 HydrophobicContact CD2-CD2 4.35Å; Y417-L426 HydrophobicContact CE1-CD2 4.2Å; Y417-L426 HydrophobicContact CE2-CD2 3.88Å; Y417-L426 HydrophobicContact CG-CD1 4.41Å
418	T	84.8	Confident	89.6	Confident	60 Å²	60	39.1 Å²	39.1	37%	0.368	21%	0.209	S	C	.	.			trans	-71.2	157.8	170.6	76.7	0	0	0	0	109.3	A420 S421 A422 E607	T418-A420 PolarHBondContact O-N 3.18Å; T418-A420 PolarHBondContact OG1-N 2.74Å; T418-S421 PolarHBondContact N-OG 2.79Å; T418-S421 PolarHBondContact O-N 3.08Å; T418-S421 VanDerWaalsContact O-N 3.1Å; T418-S421 PolarHBondContact OG1-N 3.02Å; T418-A422 VanDerWaalsContact O-CB 3.26Å; T418-A422 WeakPolarHBondContact O-CB 2.84Å; T418-A422 PolarHBondContact O-N 2.69Å; T418-E607 WeakPolarHBondContact CA-OE2 3.08Å; T418-E607 WeakPolarHBondContact CB-OE2 3.5Å; T418-E607 VanDerWaalsContact CG2-OE2 3.26Å; T418-E607 WeakPolarHBondContact CG2-OE2 3.04Å
419	P	82.4	Confident	89.4	Confident	47 Å²	47	39.4 Å²	39.4	31%	0.305	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.8	174	-27.5	35.9	0	0	0	113.7	K423 E607	P419-K423 VanDerWaalsContact O-CE 3.26Å; P419-K423 WeakPolarHBondContact O-CE 3.41Å; P419-K423 WeakPolarHBondContact O-CG 3.5Å; P419-E607 VanDerWaalsContact CD-OE2 3.23Å; P419-E607 WeakPolarHBondContact CD-OE2 3.19Å
420	A	84.6	Confident	89.2	Confident	70 Å²	70	39.4 Å²	39.4	58%	0.579	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-48.7	171.9	0	0	0	0	0	112.9	T418 A422 K423	T418-A420 PolarHBondContact O-N 3.18Å; T418-A420 PolarHBondContact OG1-N 2.74Å; A420-A422 VanDerWaalsContact C-N 3.27Å; A420-A422 PolarHBondContact O-N 3.24Å; A420-K423 PolarHBondContact O-N 3.14Å; A420-K423 VanDerWaalsContact O-N 3.15Å
421	S	86.9	Confident	88.7	Confident	25 Å²	25	42 Å²	42	18%	0.175	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-28.1	-178.9	103.8	0	0	0	0	112.2	T418 K423 S424 E425	T418-S421 PolarHBondContact N-OG 2.79Å; T418-S421 PolarHBondContact O-N 3.08Å; T418-S421 VanDerWaalsContact O-N 3.1Å; T418-S421 PolarHBondContact OG1-N 3.02Å; S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 2.82Å; S421-S424 PolarHBondContact O-N 3.17Å; S421-S424 PolarHBondContact O-OG 2.95Å; S421-S424 VanDerWaalsContact O-OG 3.11Å; S421-E425 WeakPolarHBondContact CB-OE1 3.38Å; S421-E425 VanDerWaalsContact O-CB 3.25Å; S421-E425 WeakPolarHBondContact O-CB 3.38Å; S421-E425 WeakPolarHBondContact O-CG 3.47Å; S421-E425 PolarHBondContact O-N 2.86Å; S421-E425 PolarHBondContact OG-OE1 2.76Å
422	A	85.9	Confident	88.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-38.2	171.2	0	0	0	0	0	113	F414 T418 A420 L426 V450	F414-A422 HydrophobicContact CD1-CB 3.82Å; F414-A422 HydrophobicContact CE1-CB 4.01Å; T418-A422 VanDerWaalsContact O-CB 3.26Å; T418-A422 WeakPolarHBondContact O-CB 2.84Å; T418-A422 PolarHBondContact O-N 2.69Å; A420-A422 VanDerWaalsContact C-N 3.27Å; A420-A422 PolarHBondContact O-N 3.24Å; A422-L426 HydrophobicContact CB-CD1 4.11Å; A422-L426 VanDerWaalsContact O-CB 3.29Å; A422-L426 WeakPolarHBondContact O-CB 3.25Å; A422-L426 PolarHBondContact O-N 2.6Å; A422-V450 HydrophobicContact CB-CG2 3.91Å
423	K	89	Confident	87.2	Confident	73 Å²	73	41 Å²	41	32%	0.317	22%	0.22	S	C	.	.	H	α-helix	trans	-68.9	-33.8	-180	-57.6	179.7	-168.6	-157.5	0	112.2	P419 A420 S421 A448 D449	P419-K423 VanDerWaalsContact O-CE 3.26Å; P419-K423 WeakPolarHBondContact O-CE 3.41Å; P419-K423 WeakPolarHBondContact O-CG 3.5Å; A420-K423 PolarHBondContact O-N 3.14Å; A420-K423 VanDerWaalsContact O-N 3.15Å; S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 2.82Å; K423-A448 WeakPolarHBondContact CD-O 3.35Å; K423-A448 WeakPolarHBondContact CE-O 3.34Å; K423-A448 PolarHBondContact NZ-O 3.41Å; K423-D449 WeakPolarHBondContact CE-OD1 3.35Å; K423-D449 IonicContact NZ-OD1 3.02Å; K423-D449 PolarHBondContact NZ-OD1 3.08Å
424	S	86.2	Confident	86.1	Confident	64 Å²	64	47.8 Å²	47.8	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-89.7	-38.4	-179.7	61.6	0	0	0	0	113.3	R380 S421	R380-S424 WeakPolarHBondContact CD-O 3.23Å; R380-S424 PolarHBondContact NH1-O 2.78Å; S421-S424 PolarHBondContact O-N 3.17Å; S421-S424 PolarHBondContact O-OG 2.95Å; S421-S424 VanDerWaalsContact O-OG 3.11Å
425	E	89.7	Confident	85.3	Confident	76 Å²	76	47.8 Å²	47.8	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-90.9	-17.6	-172.6	-69	-169.9	-102.7	0	0	115.6	S379 R380 Y417 S421	S379-E425 CarbonylContact C-O 3.59Å; R380-E425 WeakPolarHBondContact CB-O 3.45Å; R380-E425 PolarHBondContact N-O 2.97Å; Y417-E425 HydrophobicContact CD1-CB 4.2Å; Y417-E425 HydrophobicContact CE1-CB 3.96Å; Y417-E425 WeakPolarHBondContact CE1-OE2 3.44Å; S421-E425 WeakPolarHBondContact CB-OE1 3.38Å; S421-E425 VanDerWaalsContact O-CB 3.25Å; S421-E425 WeakPolarHBondContact O-CB 3.38Å; S421-E425 WeakPolarHBondContact O-CG 3.47Å; S421-E425 PolarHBondContact O-N 2.86Å; S421-E425 PolarHBondContact OG-OE1 2.76Å
426	L	92.2	Very high	84.6	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158.1	-177.9	-56.6	175.9	0	0	0	112.4	T378 F414 Y417 A422 I447	T378-L426 CarbonylContact O-C 3.53Å; T378-L426 VanDerWaalsContact O-CA 3.28Å; T378-L426 WeakPolarHBondContact O-CA 3.49Å; F414-L426 HydrophobicContact CD1-CD1 3.84Å; F414-L426 HydrophobicContact CE1-CD1 3.47Å; F414-L426 VanDerWaalsContact CE1-CD1 3.47Å; F414-L426 HydrophobicContact CZ-CD1 4.39Å; Y417-L426 HydrophobicContact CD2-CD1 4.21Å; Y417-L426 HydrophobicContact CD2-CD2 4.35Å; Y417-L426 HydrophobicContact CE1-CD2 4.2Å; Y417-L426 HydrophobicContact CE2-CD2 3.88Å; Y417-L426 HydrophobicContact CG-CD1 4.41Å; A422-L426 HydrophobicContact CB-CD1 4.11Å; A422-L426 VanDerWaalsContact O-CB 3.29Å; A422-L426 WeakPolarHBondContact O-CB 3.25Å; A422-L426 PolarHBondContact O-N 2.6Å; L426-I447 HydrophobicContact CB-CD1 4.01Å
427	L	91.4	Very high	83.7	Confident	9 Å²	9	41.8 Å²	41.8	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.3	174.9	-74.7	177.3	0	0	0	109.8	T378 R380 F429 K444 K446	T378-L427 PolarHBondContact N-O 2.87Å; T378-L427 PolarHBondContact O-N 3Å; T378-L427 PolarHBondContact OG1-O 3.09Å; R380-L427 HydrophobicContact CB-CD1 4.17Å; R380-L427 HydrophobicContact CB-CG 4.1Å; R380-L427 HydrophobicContact CG-CD1 3.95Å; R380-L427 HydrophobicContact CG-CG 4.17Å; L427-F429 HydrophobicContact CB-CE2 3.95Å; L427-F429 HydrophobicContact CD1-CE2 4.45Å; L427-K444 HydrophobicContact CD1-CD 4.33Å; L427-K444 HydrophobicContact CD2-CG 4.34Å; L427-K446 HydrophobicContact CD2-CG 4.35Å
428	I	93.4	Very high	82.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.2	177.7	-64.5	176.1	0	0	0	108.6	V375 I376 I377 I407 K444 V445 I447 L469 L471	V375-I428 HydrophobicContact CB-CG2 3.96Å; V375-I428 HydrophobicContact CG1-CG2 4.32Å; V375-I428 HydrophobicContact CG2-CG2 4.4Å; I376-I428 WeakPolarHBondContact O-CA 3.29Å; I377-I428 HydrophobicContact CG1-CG1 4.47Å; I407-I428 HydrophobicContact CD1-CD1 3.87Å; I407-I428 HydrophobicContact CD1-CG2 3.9Å; I428-K444 WeakPolarHBondContact O-CA 3.46Å; I428-V445 PolarHBondContact N-O 2.99Å; I428-V445 PolarHBondContact O-N 2.92Å; I428-I447 HydrophobicContact CD1-CD1 4.03Å; I428-I447 HydrophobicContact CD1-CG1 3.64Å; I428-I447 HydrophobicContact CG1-CD1 4.26Å; I428-I447 HydrophobicContact CG1-CG1 4.09Å; I428-L469 HydrophobicContact CD1-CD1 3.88Å; I428-L471 HydrophobicContact CD1-CD2 3.69Å
429	F	92.3	Very high	82	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.5	172.8	-70.4	-98.3	0	0	0	109.5	V375 I376 T378 L427 F435 R440 R441 I443 K444	V375-F429 WeakPolarHBondContact CA-O 3.12Å; I376-F429 HydrophobicContact CB-CB 4.47Å; I376-F429 PolarHBondContact N-O 3.38Å; I376-F429 PolarHBondContact O-N 3.49Å; T378-F429 HydrophobicContact CG2-CD2 3.95Å; T378-F429 HydrophobicContact CG2-CE2 4.34Å; T378-F429 WeakPolarHBondContact OG1-CE2 3.3Å; L427-F429 HydrophobicContact CB-CE2 3.95Å; L427-F429 HydrophobicContact CD1-CE2 4.45Å; F429-F435 HydrophobicContact CB-CD2 4.36Å; F429-F435 HydrophobicContact CB-CE2 4.31Å; F429-F435 HydrophobicContact CD1-CD2 4.33Å; F429-F435 AromaticContact CD1-CE2 3.85Å; F429-F435 HydrophobicContact CD1-CE2 3.85Å; F429-F435 HydrophobicContact CD2-CD2 4.43Å; F429-F435 AromaticContact CD2-CE2 3.59Å; F429-F435 HydrophobicContact CD2-CE2 3.59Å; F429-F435 HydrophobicContact CD2-CZ 4.09Å; F429-F435 AromaticContact CE1-CE2 3.99Å; F429-F435 HydrophobicContact CE1-CE2 3.99Å; F429-F435 AromaticContact CE2-CE2 3.76Å; F429-F435 HydrophobicContact CE2-CE2 3.76Å; F429-F435 HydrophobicContact CE2-CZ 4.05Å; F429-F435 HydrophobicContact CG-CD2 4.13Å; F429-F435 AromaticContact CG-CE2 3.65Å; F429-F435 HydrophobicContact CG-CE2 3.65Å; F429-F435 AromaticContact CZ-CE2 3.96Å; F429-F435 HydrophobicContact CZ-CE2 3.96Å; F429-F435 HydrophobicContact CZ-CZ 4.47Å; F429-R440 HydrophobicContact CE1-CB 3.97Å; F429-R440 HydrophobicContact CZ-CB 4.02Å; F429-R441 WeakPolarHBondContact CD1-O 3.21Å; F429-I443 WeakPolarHBondContact CA-O 3.31Å; F429-K444 HydrophobicContact CD1-CB 4.19Å; F429-K444 HydrophobicContact CE1-CB 3.83Å; F429-K444 HydrophobicContact CE1-CG 4.25Å; F429-K444 HydrophobicContact CZ-CB 4.27Å; F429-K444 HydrophobicContact CZ-CD 4.41Å; F429-K444 HydrophobicContact CZ-CG 4.17Å
430	A	91	Very high	81.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	160.5	171.3	0	0	0	0	0	110.4	V375 S432 G442 I443 L475 V481	V375-A430 HydrophobicContact CG1-CB 3.88Å; A430-S432 PolarHBondContact O-N 3.08Å; A430-G442 CarbonylContact O-C 3.54Å; A430-G442 WeakPolarHBondContact O-CA 3.37Å; A430-I443 PolarHBondContact N-O 3.04Å; A430-I443 PolarHBondContact O-N 3.25Å; A430-L475 HydrophobicContact CB-CD1 3.69Å; A430-V481 HydrophobicContact CB-CG1 4.06Å
431	N	85.2	Confident	80.9	Confident	56 Å²	56	60.7 Å²	60.7	30%	0.299	27%	0.27	S	S	.	.	S	Bend	trans	48.7	61.6	179.5	-177.8	12.1	0	0	0	112.1	G442 D479 V481	N431-G442 WeakPolarHBondContact O-CA 3.43Å; N431-D479 PolarHBondContact ND2-O 3.22Å; N431-V481 HydrophobicContact CB-CG1 4.46Å
432	S	82.3	Confident	80.6	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.021	28%	0.28	C	S	.	.			trans	-143	67.5	-176.6	-175.5	0	0	0	0	111.5	M370 A430 R434 R441	M370-S432 WeakPolarHBondContact CE-O 3.38Å; M370-S432 PolarHBondContact SD-N 2.68Å; A430-S432 PolarHBondContact O-N 3.08Å; S432-R434 PolarHBondContact O-N 3.16Å; S432-R441 WeakPolarHBondContact CB-O 3.46Å; S432-R441 PolarHBondContact OG-O 2.01Å; S432-R441 VanDerWaalsContact OG-O 3.06Å
433	P	71.1	Confident	80.6	Confident	25 Å²	25	63.2 Å²	63.2	16%	0.162	29%	0.29	C	S	.	.	S	Bend	trans	-55	-28.8	-179.2	17.3	-29.8	0	0	0	114	Q368 M370 R510 M511	Q368-P433 WeakPolarHBondContact O-CB 3.19Å; M370-P433 HydrophobicContact CG-CB 4.42Å; P433-R510 WeakPolarHBondContact O-CA 3.23Å; P433-R510 WeakPolarHBondContact O-CB 3.23Å; P433-M511 PolarHBondContact O-N 3.03Å; P433-M511 VanDerWaalsContact O-N 3.07Å
434	R	69.6	Low	80.7	Confident	155 Å²	155	66 Å²	66	59%	0.585	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-122.4	110.1	170.1	-56.5	-169.7	-166.6	-178.3	5.9	111	S432 H509 R510	S432-R434 PolarHBondContact O-N 3.16Å; R434-H509 CarbonylContact C-O 3.59Å; R434-H509 VanDerWaalsContact CA-O 3.24Å; R434-H509 WeakPolarHBondContact CA-O 2.91Å; R434-R510 HydrophobicContact CG-CB 4.25Å
435	F	74.9	Confident	81	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	28%	0.283	C	S	.	.			trans	-119.9	118.4	179.6	-177.7	-89	0	0	0	110.5	I376 T378 F429 R440 Y504 H509	I376-F435 HydrophobicContact CD1-CB 3.59Å; I376-F435 HydrophobicContact CD1-CG 4.11Å; I376-F435 HydrophobicContact CG2-CD1 4.42Å; T378-F435 HydrophobicContact CG2-CE1 3.71Å; T378-F435 HydrophobicContact CG2-CE2 4.29Å; T378-F435 HydrophobicContact CG2-CZ 3.6Å; F429-F435 HydrophobicContact CB-CD2 4.36Å; F429-F435 HydrophobicContact CB-CE2 4.31Å; F429-F435 HydrophobicContact CD1-CD2 4.33Å; F429-F435 AromaticContact CD1-CE2 3.85Å; F429-F435 HydrophobicContact CD1-CE2 3.85Å; F429-F435 HydrophobicContact CD2-CD2 4.43Å; F429-F435 AromaticContact CD2-CE2 3.59Å; F429-F435 HydrophobicContact CD2-CE2 3.59Å; F429-F435 HydrophobicContact CD2-CZ 4.09Å; F429-F435 AromaticContact CE1-CE2 3.99Å; F429-F435 HydrophobicContact CE1-CE2 3.99Å; F429-F435 AromaticContact CE2-CE2 3.76Å; F429-F435 HydrophobicContact CE2-CE2 3.76Å; F429-F435 HydrophobicContact CE2-CZ 4.05Å; F429-F435 HydrophobicContact CG-CD2 4.13Å; F429-F435 AromaticContact CG-CE2 3.65Å; F429-F435 HydrophobicContact CG-CE2 3.65Å; F429-F435 AromaticContact CZ-CE2 3.96Å; F429-F435 HydrophobicContact CZ-CE2 3.96Å; F429-F435 HydrophobicContact CZ-CZ 4.47Å; F435-R440 HydrophobicContact CE2-CB 3.72Å; F435-R440 HydrophobicContact CE2-CG 3.92Å; F435-R440 HydrophobicContact CZ-CB 4.16Å; F435-R440 HydrophobicContact CZ-CG 3.82Å; F435-Y504 HydrophobicContact CB-CE2 4.47Å; F435-Y504 PolarHBondContact O-OH 2.85Å; F435-Y504 VanDerWaalsContact O-OH 3.12Å; F435-H509 PolarHBondContact N-O 2.82Å; F435-H509 WeakPolarHBondContact O-CB 2.97Å
436	S	70.9	Confident	81.2	Confident	12 Å²	12	64.3 Å²	64.3	8%	0.084	29%	0.286	C	S	.	.			trans	-127.2	161.9	170.2	92	0	0	0	0	111.9	Q438 K439 R440 H509	S436-Q438 PolarHBondContact O-N 3.11Å; S436-Q438 VanDerWaalsContact O-N 3.1Å; S436-Q438 PolarHBondContact OG-N 2.95Å; S436-K439 PolarHBondContact N-O 3.3Å; S436-K439 CarbonylContact O-C 3.31Å; S436-K439 PolarHBondContact O-N 3.14Å; S436-K439 VanDerWaalsContact O-N 3.1Å; S436-K439 PolarHBondContact OG-N 3Å; S436-R440 WeakPolarHBondContact O-CG 3.16Å; S436-R440 PolarHBondContact O-N 3.03Å; S436-H509 WeakPolarHBondContact CB-CD2 3.37Å
437	R	68.5	Low	81.3	Confident	165 Å²	165	64.2 Å²	64.2	62%	0.623	29%	0.286	S	S	*	.	S	Bend	trans	-54.2	-33.7	177.9	-63.3	-168.6	-173.4	177.6	6.3	113.1	R440	R437-R440 PolarHBondContact O-NE 2.94Å
438	Q	68.3	Low	81.4	Confident	181 Å²	181	65.6 Å²	65.6	85%	0.846	30%	0.298	S	S	*	.	S	Bend	trans	-87.2	-34.7	179.6	-64.8	167	-20.5	0	0	112.3	S436	S436-Q438 PolarHBondContact O-N 3.11Å; S436-Q438 VanDerWaalsContact O-N 3.1Å; S436-Q438 PolarHBondContact OG-N 2.95Å
439	K	66.3	Low	81.4	Confident	140 Å²	140	67.9 Å²	67.9	61%	0.609	31%	0.31	S	S	*	.			trans	-118.9	71.9	-178	-65.1	-178.7	-178.7	176.1	0	109.5	S436 R441	S436-K439 PolarHBondContact N-O 3.3Å; S436-K439 CarbonylContact O-C 3.31Å; S436-K439 PolarHBondContact O-N 3.14Å; S436-K439 VanDerWaalsContact O-N 3.1Å; S436-K439 PolarHBondContact OG-N 3Å; K439-R441 PolarHBondContact O-N 2.92Å
440	R	71	Confident	81.4	Confident	93 Å²	93	67.9 Å²	67.9	35%	0.351	31%	0.311	S	S	.	.			trans	-78.3	65.2	175.7	-54.6	-171.9	-160.4	-170.4	8.6	110.4	R380 F429 F435 S436 R437	R380-R440 PolarHBondContact O-NH1 2.9Å; F429-R440 HydrophobicContact CE1-CB 3.97Å; F429-R440 HydrophobicContact CZ-CB 4.02Å; F435-R440 HydrophobicContact CE2-CB 3.72Å; F435-R440 HydrophobicContact CE2-CG 3.92Å; F435-R440 HydrophobicContact CZ-CB 4.16Å; F435-R440 HydrophobicContact CZ-CG 3.82Å; S436-R440 WeakPolarHBondContact O-CG 3.16Å; S436-R440 PolarHBondContact O-N 3.03Å; R437-R440 PolarHBondContact O-NE 2.94Å
441	R	72.3	Confident	81.4	Confident	187 Å²	187	73 Å²	73	71%	0.706	33%	0.333	S	S	*	.			trans	-76.3	175.7	176.5	-71.5	-174.4	171.2	-172.4	-4.9	110.9	F429 S432 K439	F429-R441 WeakPolarHBondContact CD1-O 3.21Å; S432-R441 WeakPolarHBondContact CB-O 3.46Å; S432-R441 PolarHBondContact OG-O 2.01Å; S432-R441 VanDerWaalsContact OG-O 3.06Å; K439-R441 PolarHBondContact O-N 2.92Å
442	G	80.4	Confident	81.7	Confident	37 Å²	37	70.6 Å²	70.6	38%	0.381	32%	0.321	S	S	.	.	S	Bend	trans	82.6	-179.2	-175.8	0	0	0	0	0	114.2	A430 N431 K444	A430-G442 CarbonylContact O-C 3.54Å; A430-G442 WeakPolarHBondContact O-CA 3.37Å; N431-G442 WeakPolarHBondContact O-CA 3.43Å; G442-K444 PolarHBondContact O-N 2.9Å
443	I	87.2	Confident	82	Confident	41 Å²	41	71.1 Å²	71.1	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.5	-168.4	-64.4	175.4	0	0	0	109.5	F429 A430 V445 L475 D479	F429-I443 WeakPolarHBondContact CA-O 3.31Å; A430-I443 PolarHBondContact N-O 3.04Å; A430-I443 PolarHBondContact O-N 3.25Å; I443-V445 HydrophobicContact CG2-CG2 4.33Å; I443-L475 HydrophobicContact CG2-CD2 3.81Å; I443-D479 HydrophobicContact CD1-CB 3.54Å; I443-D479 WeakPolarHBondContact CD1-O 3.47Å
444	K	90.3	Very high	82.5	Confident	133 Å²	133	70.1 Å²	70.1	58%	0.578	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.3	-179.2	174.8	-173.6	163.5	-167.5	0	110.6	L427 I428 F429 G442	L427-K444 HydrophobicContact CD1-CD 4.33Å; L427-K444 HydrophobicContact CD2-CG 4.34Å; I428-K444 WeakPolarHBondContact O-CA 3.46Å; F429-K444 HydrophobicContact CD1-CB 4.19Å; F429-K444 HydrophobicContact CE1-CB 3.83Å; F429-K444 HydrophobicContact CE1-CG 4.25Å; F429-K444 HydrophobicContact CZ-CB 4.27Å; F429-K444 HydrophobicContact CZ-CD 4.41Å; F429-K444 HydrophobicContact CZ-CG 4.17Å; G442-K444 PolarHBondContact O-N 2.9Å
445	V	92.8	Very high	82.7	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.7	173.2	-156.1	0	0	0	0	110.2	I428 I443 L471 R473 L475	I428-V445 PolarHBondContact N-O 2.99Å; I428-V445 PolarHBondContact O-N 2.92Å; I443-V445 HydrophobicContact CG2-CG2 4.33Å; V445-L471 HydrophobicContact CB-CD1 4.48Å; V445-L471 HydrophobicContact CB-CD2 3.99Å; V445-L471 HydrophobicContact CG1-CB 3.99Å; V445-L471 HydrophobicContact CG1-CD1 4.16Å; V445-L471 HydrophobicContact CG1-CD2 3.84Å; V445-L471 HydrophobicContact CG1-CG 4.23Å; V445-R473 HydrophobicContact CG1-CB 4.22Å; V445-L475 HydrophobicContact CG2-CD1 4.17Å; V445-L475 HydrophobicContact CG2-CD2 3.77Å; V445-L475 HydrophobicContact CG2-CG 4.17Å
446	K	93.8	Very high	82.3	Confident	97 Å²	97	66 Å²	66	42%	0.422	31%	0.309	S	S	.	.			trans	-99.6	166.2	173.3	-53.4	164.9	-176.5	171.5	0	110.7	L427 E472	L427-K446 HydrophobicContact CD2-CG 4.35Å; K446-E472 HydrophobicContact CB-CB 4.37Å; K446-E472 HydrophobicContact CB-CG 4.15Å; K446-E472 WeakPolarHBondContact CB-OE1 3.33Å; K446-E472 HydrophobicContact CD-CG 4.48Å; K446-E472 WeakPolarHBondContact CD-OE1 3.15Å; K446-E472 WeakPolarHBondContact CD-OE2 3.45Å; K446-E472 IonicContact NZ-OE1 3.24Å; K446-E472 PolarHBondContact NZ-OE1 2.87Å; K446-E472 IonicContact NZ-OE2 3.63Å; K446-E472 PolarHBondContact NZ-OE2 3.04Å; K446-E472 PolarHBondContact O-N 2.04Å
447	I	94.2	Very high	81.9	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.6	-176.7	-54.8	172.7	0	0	0	109.6	L426 I428 D449 V450 K470	L426-I447 HydrophobicContact CB-CD1 4.01Å; I428-I447 HydrophobicContact CD1-CD1 4.03Å; I428-I447 HydrophobicContact CD1-CG1 3.64Å; I428-I447 HydrophobicContact CG1-CD1 4.26Å; I428-I447 HydrophobicContact CG1-CG1 4.09Å; I447-D449 WeakPolarHBondContact CG2-O 3.07Å; I447-V450 HydrophobicContact CG2-CG2 3.5Å; I447-V450 VanDerWaalsContact CG2-CG2 3.5Å; I447-K470 CarbonylContact C-O 3.54Å
448	A	94	Very high	81.4	Confident	37 Å²	37	61.1 Å²	61.1	31%	0.306	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-37.8	172.5	0	0	0	0	0	111.8	K423 K470 E472	K423-A448 WeakPolarHBondContact CD-O 3.35Å; K423-A448 WeakPolarHBondContact CE-O 3.34Å; K423-A448 PolarHBondContact NZ-O 3.41Å; A448-K470 PolarHBondContact N-O 3.33Å; A448-E472 HydrophobicContact CB-CG 3.97Å
449	D	93.6	Very high	80.6	Confident	48 Å²	48	59.7 Å²	59.7	26%	0.257	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.3	177.1	-156.6	35.3	0	0	0	115.2	K423 I447 K451 L469 K470	K423-D449 WeakPolarHBondContact CE-OD1 3.35Å; K423-D449 IonicContact NZ-OD1 3.02Å; K423-D449 PolarHBondContact NZ-OD1 3.08Å; I447-D449 WeakPolarHBondContact CG2-O 3.07Å; D449-K451 WeakPolarHBondContact OD2-CE 3.43Å; D449-K451 IonicContact OD2-NZ 3.05Å; D449-L469 WeakPolarHBondContact O-CA 3.3Å; D449-K470 HydrophobicContact CB-CB 3.98Å; D449-K470 PolarHBondContact N-O 2.91Å; D449-K470 VanDerWaalsContact N-O 3.12Å; D449-K470 PolarHBondContact O-N 2.99Å
450	V	92.5	Very high	80.2	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.6	-179.8	-179.7	0	0	0	0	109.2	F414 A422 I447 L452 L469	F414-V450 HydrophobicContact CD1-CG1 4.01Å; F414-V450 HydrophobicContact CE1-CG1 4Å; F414-V450 HydrophobicContact CE1-CG2 4.31Å; F414-V450 HydrophobicContact CG-CG1 4.37Å; F414-V450 HydrophobicContact CZ-CG1 4.39Å; A422-V450 HydrophobicContact CB-CG2 3.91Å; I447-V450 HydrophobicContact CG2-CG2 3.5Å; I447-V450 VanDerWaalsContact CG2-CG2 3.5Å; V450-L452 HydrophobicContact CG1-CD2 3.73Å; V450-L452 HydrophobicContact CG1-CG 4.24Å; V450-L469 HydrophobicContact CB-CD2 4.38Å; V450-L469 HydrophobicContact CG1-CD2 3.97Å; V450-L469 HydrophobicContact CG2-CD2 4.15Å
451	K	91.1	Very high	79.7	Confident	106 Å²	106	62.5 Å²	62.5	46%	0.461	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.7	174.4	-57.6	-171.5	-176	-174.7	0	109.9	D449 Y453 A467 I468	D449-K451 WeakPolarHBondContact OD2-CE 3.43Å; D449-K451 IonicContact OD2-NZ 3.05Å; K451-Y453 HydrophobicContact CB-CE2 3.57Å; K451-Y453 WeakPolarHBondContact CB-OH 3Å; K451-Y453 WeakPolarHBondContact CD-OH 3.06Å; K451-A467 CarbonylContact O-C 3.59Å; K451-A467 VanDerWaalsContact O-CA 3.27Å; K451-A467 WeakPolarHBondContact O-CA 3.43Å; K451-I468 PolarHBondContact N-O 3.11Å; K451-I468 PolarHBondContact O-N 3.24Å
452	L	91.5	Very high	79.4	Confident	7 Å²	7	56 Å²	56	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.2	-176	-55	-176.3	0	0	0	109.7	A411 F414 V450 A467 T604 L605	A411-L452 HydrophobicContact CB-CB 4.49Å; A411-L452 HydrophobicContact CB-CD2 4.36Å; F414-L452 HydrophobicContact CB-CD1 4.01Å; F414-L452 HydrophobicContact CB-CD2 3.81Å; F414-L452 HydrophobicContact CD2-CD2 3.68Å; F414-L452 HydrophobicContact CE2-CD2 4.49Å; F414-L452 HydrophobicContact CG-CD2 3.8Å; V450-L452 HydrophobicContact CG1-CD2 3.73Å; V450-L452 HydrophobicContact CG1-CG 4.24Å; L452-A467 HydrophobicContact CD2-CB 3.61Å; L452-T604 WeakPolarHBondContact O-CA 2.97Å; L452-L605 HydrophobicContact CB-CB 4.3Å; L452-L605 PolarHBondContact O-N 3.34Å
453	Y	88.1	Confident	79.1	Confident	14 Å²	14	57.6 Å²	57.6	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.4	-177	-61.4	-77.6	0	0	0	111.7	K451 G465 I466 I468 V592 V596 V602 T604	K451-Y453 HydrophobicContact CB-CE2 3.57Å; K451-Y453 WeakPolarHBondContact CB-OH 3Å; K451-Y453 WeakPolarHBondContact CD-OH 3.06Å; Y453-G465 WeakPolarHBondContact O-CA 2.93Å; Y453-G465 PolarHBondContact O-N 2.91Å; Y453-I466 WeakPolarHBondContact CB-O 3.44Å; Y453-I466 PolarHBondContact N-O 2.87Å; Y453-I468 HydrophobicContact CD2-CD1 4.39Å; Y453-I468 HydrophobicContact CD2-CG1 4.25Å; Y453-I468 HydrophobicContact CE2-CB 4.17Å; Y453-I468 HydrophobicContact CE2-CD1 3.93Å; Y453-I468 HydrophobicContact CE2-CG1 3.95Å; Y453-V592 HydrophobicContact CG-CG1 4.31Å; Y453-V596 HydrophobicContact CD1-CG2 3.9Å; Y453-V596 HydrophobicContact CD2-CG2 4.35Å; Y453-V596 HydrophobicContact CE1-CG2 3.39Å; Y453-V596 HydrophobicContact CE2-CG1 4.41Å; Y453-V596 HydrophobicContact CE2-CG2 3.91Å; Y453-V596 HydrophobicContact CG-CG2 4.34Å; Y453-V596 VanDerWaalsContact CZ-CG2 3.41Å; Y453-V596 WeakPolarHBondContact OH-CG1 3.33Å; Y453-V602 HydrophobicContact CD1-CB 4.03Å; Y453-V602 HydrophobicContact CD1-CG1 3.67Å; Y453-V602 HydrophobicContact CE1-CB 4.31Å; Y453-V602 HydrophobicContact CE1-CG1 4.43Å; Y453-V602 HydrophobicContact CG-CG1 4.36Å; Y453-T604 HydrophobicContact CD1-CG2 3.88Å; Y453-T604 HydrophobicContact CE1-CG2 3.57Å
454	G	81.1	Confident	79	Confident	4 Å²	4	58.8 Å²	58.8	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	155.8	174.2	0	0	0	0	0	112.3	L463 Q603	G454-L463 CarbonylContact C-O 3.15Å; G454-L463 WeakPolarHBondContact CA-O 3.41Å; G454-Q603 PolarHBondContact N-O 3.38Å
455	L	73.5	Confident	78.8	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.4	157.1	-76.3	172.5	0	0	0	108.4	T462 L463 L569 V592	L455-T462 CarbonylContact O-C 3.07Å; L455-T462 WeakPolarHBondContact O-CA 3.34Å; L455-L463 PolarHBondContact N-O 3.18Å; L455-L463 PolarHBondContact O-N 3.14Å; L455-L569 HydrophobicContact CD1-CD1 3.47Å; L455-L569 VanDerWaalsContact CD1-CD1 3.47Å; L455-V592 HydrophobicContact CD2-CG2 3.8Å
456	P	67.5	Low	78.8	Confident	57 Å²	57	52.3 Å²	52.3	37%	0.37	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.8	170.9	28.6	-33.8	0	0	0	109.7
457	W	62.3	Low	78.8	Confident	63 Å²	63	47.7 Å²	47.7	24%	0.239	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	87.4	-175	-170.5	-92.9	0	0	0	110	E461 L463 L525 Y534 F586	W457-E461 HydrophobicContact CB-CB 4.45Å; W457-E461 PolarHBondContact N-O 3.43Å; W457-E461 WeakPolarHBondContact O-CB 3.44Å; W457-L463 HydrophobicContact CB-CD1 4.13Å; W457-L463 HydrophobicContact CB-CG 3.8Å; W457-L463 HydrophobicContact CD2-CD1 3.39Å; W457-L463 HydrophobicContact CD2-CG 4.09Å; W457-L463 HydrophobicContact CE3-CD1 3.53Å; W457-L463 HydrophobicContact CE3-CG 4.44Å; W457-L463 HydrophobicContact CG-CD1 3.66Å; W457-L463 HydrophobicContact CG-CG 3.8Å; W457-L463 HydrophobicContact CH2-CD1 4.47Å; W457-L463 HydrophobicContact CZ2-CD1 4.38Å; W457-L463 HydrophobicContact CZ3-CD1 4.08Å; W457-L525 HydrophobicContact CH2-CD1 3.44Å; W457-L525 VanDerWaalsContact CH2-CD1 3.44Å; W457-L525 HydrophobicContact CZ2-CD1 4.07Å; W457-L525 HydrophobicContact CZ3-CD1 3.93Å; W457-Y534 HydrophobicContact CD2-CD1 4.03Å; W457-Y534 AromaticContact CD2-CE1 3.83Å; W457-Y534 HydrophobicContact CD2-CE1 3.83Å; W457-Y534 AromaticContact CE3-CD1 3.69Å; W457-Y534 HydrophobicContact CE3-CD1 3.69Å; W457-Y534 HydrophobicContact CE3-CE1 4Å; W457-Y534 HydrophobicContact CG-CE1 4.08Å; W457-Y534 HydrophobicContact CZ3-CD1 4.08Å; W457-F586 HydrophobicContact CZ3-CE1 4.36Å; W457-F586 HydrophobicContact CZ3-CE2 4.3Å; W457-F586 AromaticContact CZ3-CZ 3.89Å; W457-F586 HydrophobicContact CZ3-CZ 3.89Å
458	G	57.7	Low	78.8	Confident	10 Å²	10	48.1 Å²	48.1	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-166.3	-175.7	0	0	0	0	0	113.1	N460 Y534	G458-N460 PolarHBondContact O-N 3.49Å; G458-Y534 WeakPolarHBondContact CA-OH 3.4Å; G458-Y534 VanDerWaalsContact N-CE1 3.3Å; G458-Y534 PolarHBondContact N-OH 3.29Å
459	N	52.4	Low	78.8	Confident	151 Å²	151	46.4 Å²	46.4	81%	0.807	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.3	-156.3	-61.9	11.2	0	0	0	116.7
460	N	56.3	Low	78.9	Confident	164 Å²	164	49 Å²	49	88%	0.877	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-170.8	3.5	167.1	-103	-30.7	0	0	0	115.8	G458	G458-N460 PolarHBondContact O-N 3.49Å
461	E	62	Low	79	Confident	129 Å²	129	49 Å²	49	60%	0.603	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	145.1	178.2	-57.7	-164.9	147.1	0	0	111.9	W457	W457-E461 HydrophobicContact CB-CB 4.45Å; W457-E461 PolarHBondContact N-O 3.43Å; W457-E461 WeakPolarHBondContact O-CB 3.44Å
462	T	66.3	Low	79.2	Confident	51 Å²	51	49 Å²	49	31%	0.313	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.5	170.8	-48.6	0	0	0	0	109.6	L455 Q603 L605	L455-T462 CarbonylContact O-C 3.07Å; L455-T462 WeakPolarHBondContact O-CA 3.34Å; T462-Q603 VanDerWaalsContact CG2-OE1 3.25Å; T462-Q603 PolarHBondContact OG1-NE2 3.09Å; T462-Q603 VanDerWaalsContact OG1-NE2 3.12Å; T462-Q603 PolarHBondContact OG1-OE1 3.26Å; T462-L605 HydrophobicContact CG2-CD2 3.85Å
463	L	74	Confident	79.3	Confident	70 Å²	70	53.6 Å²	53.6	37%	0.366	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	158.7	173.7	-70.7	-173.8	0	0	0	111.6	G454 L455 W457 G465	G454-L463 CarbonylContact C-O 3.15Å; G454-L463 WeakPolarHBondContact CA-O 3.41Å; L455-L463 PolarHBondContact N-O 3.18Å; L455-L463 PolarHBondContact O-N 3.14Å; W457-L463 HydrophobicContact CB-CD1 4.13Å; W457-L463 HydrophobicContact CB-CG 3.8Å; W457-L463 HydrophobicContact CD2-CD1 3.39Å; W457-L463 HydrophobicContact CD2-CG 4.09Å; W457-L463 HydrophobicContact CE3-CD1 3.53Å; W457-L463 HydrophobicContact CE3-CG 4.44Å; W457-L463 HydrophobicContact CG-CD1 3.66Å; W457-L463 HydrophobicContact CG-CG 3.8Å; W457-L463 HydrophobicContact CH2-CD1 4.47Å; W457-L463 HydrophobicContact CZ2-CD1 4.38Å; W457-L463 HydrophobicContact CZ3-CD1 4.08Å; L463-G465 PolarHBondContact O-N 3.42Å; L463-G465 VanDerWaalsContact O-N 3.13Å
464	R	83.2	Confident	79.5	Confident	66 Å²	66	55.9 Å²	55.9	25%	0.249	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	105.6	169.6	-87.1	174.7	178.5	-111.1	4.5	109.6	A411 D412 F414 L605	A411-R464 HydrophobicContact CB-CB 3.91Å; A411-R464 HydrophobicContact CB-CG 4.15Å; A411-R464 PolarHBondContact O-NH1 3.24Å; D412-R464 HydrophobicContact CB-CB 4.3Å; D412-R464 WeakPolarHBondContact OD1-CD 3.36Å; F414-R464 PolarHBondContact O-NH1 2.81Å; R464-L605 HydrophobicContact CB-CD1 4.29Å; R464-L605 HydrophobicContact CG-CD1 3.57Å
465	G	87.1	Confident	80.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-130.1	179.1	0	0	0	0	0	112.5	A411 Y453 L463 L569	A411-G465 WeakPolarHBondContact CB-O 3.47Å; A411-G465 PolarHBondContact N-O 3.11Å; Y453-G465 WeakPolarHBondContact O-CA 2.93Å; Y453-G465 PolarHBondContact O-N 2.91Å; L463-G465 PolarHBondContact O-N 3.42Å; L463-G465 VanDerWaalsContact O-N 3.13Å; G465-L569 WeakPolarHBondContact O-CD2 3.21Å
466	I	92.1	Very high	81	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	156.7	175.2	65.2	168.8	0	0	0	112.2	I408 T409 Y453 I468 V567 V592 A593	I408-I466 HydrophobicContact CG2-CB 4.25Å; I408-I466 HydrophobicContact CG2-CD1 4.17Å; I408-I466 HydrophobicContact CG2-CG2 4.47Å; T409-I466 CarbonylContact O-C 3.55Å; T409-I466 WeakPolarHBondContact O-CA 3.1Å; Y453-I466 WeakPolarHBondContact CB-O 3.44Å; Y453-I466 PolarHBondContact N-O 2.87Å; I466-I468 HydrophobicContact CD1-CD1 4.4Å; I466-I468 HydrophobicContact CD1-CG1 4.33Å; I466-V567 HydrophobicContact CG2-CB 4.02Å; I466-V567 HydrophobicContact CG2-CG2 4.01Å; I466-V592 HydrophobicContact CD1-CB 3.78Å; I466-V592 HydrophobicContact CD1-CG1 3.92Å; I466-V592 HydrophobicContact CG1-CB 4.04Å; I466-V592 HydrophobicContact CG1-CG1 3.84Å; I466-A593 HydrophobicContact CD1-CB 3.96Å
467	A	93.7	Very high	82	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.6	164.8	0	0	0	0	0	109.6	T409 A411 F414 K451 L452 L469	T409-A467 HydrophobicContact CG2-CB 4.02Å; T409-A467 PolarHBondContact N-O 3.12Å; T409-A467 PolarHBondContact O-N 2.87Å; A411-A467 HydrophobicContact CB-CB 4.41Å; F414-A467 HydrophobicContact CD2-CB 3.93Å; F414-A467 HydrophobicContact CE2-CB 3.77Å; K451-A467 CarbonylContact O-C 3.59Å; K451-A467 VanDerWaalsContact O-CA 3.27Å; K451-A467 WeakPolarHBondContact O-CA 3.43Å; L452-A467 HydrophobicContact CD2-CB 3.61Å; A467-L469 HydrophobicContact CB-CD2 4.28Å
468	I	94.5	Very high	83.2	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.2	174	-55.5	179.6	0	0	0	107.5	I407 I408 K451 Y453 I466 A593 V596 F597	I407-I468 WeakPolarHBondContact O-CA 3.21Å; I408-I468 HydrophobicContact CG1-CG1 4.34Å; K451-I468 PolarHBondContact N-O 3.11Å; K451-I468 PolarHBondContact O-N 3.24Å; Y453-I468 HydrophobicContact CD2-CD1 4.39Å; Y453-I468 HydrophobicContact CD2-CG1 4.25Å; Y453-I468 HydrophobicContact CE2-CB 4.17Å; Y453-I468 HydrophobicContact CE2-CD1 3.93Å; Y453-I468 HydrophobicContact CE2-CG1 3.95Å; I466-I468 HydrophobicContact CD1-CD1 4.4Å; I466-I468 HydrophobicContact CD1-CG1 4.33Å; I468-A593 HydrophobicContact CD1-CB 4.19Å; I468-V596 HydrophobicContact CD1-CB 4.14Å; I468-V596 HydrophobicContact CD1-CG1 3.99Å; I468-V596 HydrophobicContact CD1-CG2 4.4Å; I468-F597 HydrophobicContact CD1-CE1 4.25Å; I468-F597 HydrophobicContact CD1-CZ 4.12Å; I468-F597 HydrophobicContact CG2-CE1 4.3Å; I468-F597 HydrophobicContact CG2-CZ 4.31Å
469	L	95.1	Very high	84.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138	-176.7	-40	179.6	0	0	0	109.1	I377 I407 T409 F414 I428 D449 V450 A467	I377-L469 HydrophobicContact CD1-CD1 4.05Å; I407-L469 HydrophobicContact CB-CB 4.28Å; I407-L469 HydrophobicContact CG2-CD1 4.02Å; I407-L469 HydrophobicContact CG2-CG 4.4Å; I407-L469 PolarHBondContact N-O 3.45Å; I407-L469 PolarHBondContact O-N 2.96Å; T409-L469 HydrophobicContact CG2-CD1 4.04Å; T409-L469 HydrophobicContact CG2-CD2 4.46Å; T409-L469 HydrophobicContact CG2-CG 4.27Å; F414-L469 HydrophobicContact CE1-CD2 4.2Å; F414-L469 HydrophobicContact CE2-CD2 3.84Å; F414-L469 HydrophobicContact CZ-CD1 3.95Å; F414-L469 HydrophobicContact CZ-CD2 3.41Å; F414-L469 VanDerWaalsContact CZ-CD2 3.41Å; F414-L469 HydrophobicContact CZ-CG 4.33Å; I428-L469 HydrophobicContact CD1-CD1 3.88Å; D449-L469 WeakPolarHBondContact O-CA 3.3Å; V450-L469 HydrophobicContact CB-CD2 4.38Å; V450-L469 HydrophobicContact CG1-CD2 3.97Å; V450-L469 HydrophobicContact CG2-CD2 4.15Å; A467-L469 HydrophobicContact CB-CD2 4.28Å
470	K	95	Very high	86.3	Confident	104 Å²	104	58.1 Å²	58.1	45%	0.452	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.6	168	-163.8	-177.6	-174.6	-173.9	0	109.5	D405 I447 A448 D449	D405-K470 CarbonylContact O-C 3.59Å; D405-K470 WeakPolarHBondContact O-CA 3.46Å; D405-K470 WeakPolarHBondContact OD2-CE 3.25Å; D405-K470 IonicContact OD2-NZ 2.72Å; I447-K470 CarbonylContact C-O 3.54Å; A448-K470 PolarHBondContact N-O 3.33Å; D449-K470 HydrophobicContact CB-CB 3.98Å; D449-K470 PolarHBondContact N-O 2.91Å; D449-K470 VanDerWaalsContact N-O 3.12Å; D449-K470 PolarHBondContact O-N 2.99Å
471	L	95.3	Very high	88	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	153.5	176.5	-66.1	-179.7	0	0	0	112.4	L391 D405 I407 I428 V445 R473 L475	L391-L471 HydrophobicContact CD1-CD1 4.47Å; D405-L471 HydrophobicContact CB-CB 4.21Å; D405-L471 PolarHBondContact O-N 3.47Å; I407-L471 HydrophobicContact CD1-CD1 3.91Å; I407-L471 HydrophobicContact CD1-CD2 3.75Å; I407-L471 HydrophobicContact CD1-CG 3.96Å; I428-L471 HydrophobicContact CD1-CD2 3.69Å; V445-L471 HydrophobicContact CB-CD1 4.48Å; V445-L471 HydrophobicContact CB-CD2 3.99Å; V445-L471 HydrophobicContact CG1-CB 3.99Å; V445-L471 HydrophobicContact CG1-CD1 4.16Å; V445-L471 HydrophobicContact CG1-CD2 3.84Å; V445-L471 HydrophobicContact CG1-CG 4.23Å; L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 VanDerWaalsContact CB-O 3.26Å; L471-R473 WeakPolarHBondContact CB-O 3.3Å; L471-L475 HydrophobicContact CD1-CD1 3.97Å; L471-L475 HydrophobicContact CD1-CG 4.03Å
472	E	93.7	Very high	89.5	Confident	106 Å²	106	44.3 Å²	44.3	50%	0.495	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-24.2	166.8	-81.9	-173.6	-141.5	0	0	112.8	K446 A448	K446-E472 HydrophobicContact CB-CB 4.37Å; K446-E472 HydrophobicContact CB-CG 4.15Å; K446-E472 WeakPolarHBondContact CB-OE1 3.33Å; K446-E472 HydrophobicContact CD-CG 4.48Å; K446-E472 WeakPolarHBondContact CD-OE1 3.15Å; K446-E472 WeakPolarHBondContact CD-OE2 3.45Å; K446-E472 IonicContact NZ-OE1 3.24Å; K446-E472 PolarHBondContact NZ-OE1 2.87Å; K446-E472 IonicContact NZ-OE2 3.63Å; K446-E472 PolarHBondContact NZ-OE2 3.04Å; K446-E472 PolarHBondContact O-N 2.04Å; A448-E472 HydrophobicContact CB-CG 3.97Å
473	R	94	Very high	90.9	Very high	104 Å²	104	42.1 Å²	42.1	39%	0.392	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.1	175.6	-172	-174.8	64.4	94.4	-23.9	109.5	V445 L471 D479	V445-R473 HydrophobicContact CG1-CB 4.22Å; L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 VanDerWaalsContact CB-O 3.26Å; L471-R473 WeakPolarHBondContact CB-O 3.3Å; R473-D479 IonicContact CZ-OD1 3.74Å; R473-D479 VanDerWaalsContact CZ-OD1 3.31Å; R473-D479 IonicContact CZ-OD2 3.41Å; R473-D479 IonicContact NH1-OD1 2.67Å; R473-D479 PolarHBondContact NH1-OD1 3.37Å; R473-D479 IonicContact NH1-OD2 3.98Å; R473-D479 PolarHBondContact NH1-OD2 3.37Å; R473-D479 IonicContact NH2-OD1 3.31Å; R473-D479 PolarHBondContact NH2-OD1 3.15Å; R473-D479 IonicContact NH2-OD2 3.97Å
474	P	93.7	Very high	91.9	Very high	62 Å²	62	38.8 Å²	38.8	40%	0.403	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	145.4	169.2	27.6	-34	0	0	0	110.9	S404 D405	S404-P474 WeakPolarHBondContact O-CA 3.36Å; D405-P474 HydrophobicContact CB-CB 4.15Å
475	L	93.4	Very high	92.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	154.4	171.7	-64.4	172.6	0	0	0	110.6	L391 T403 S404 A430 I443 V445 L471 D479 V481	L391-L475 HydrophobicContact CD2-CB 4.17Å; T403-L475 CarbonylContact C-O 3.42Å; T403-L475 WeakPolarHBondContact CA-O 3.36Å; S404-L475 PolarHBondContact N-O 3.06Å; S404-L475 PolarHBondContact O-N 2.81Å; A430-L475 HydrophobicContact CB-CD1 3.69Å; I443-L475 HydrophobicContact CG2-CD2 3.81Å; V445-L475 HydrophobicContact CG2-CD1 4.17Å; V445-L475 HydrophobicContact CG2-CD2 3.77Å; V445-L475 HydrophobicContact CG2-CG 4.17Å; L471-L475 HydrophobicContact CD1-CD1 3.97Å; L471-L475 HydrophobicContact CD1-CG 4.03Å; L475-D479 WeakPolarHBondContact CA-OD2 3.49Å; L475-D479 HydrophobicContact CD2-CB 4.01Å; L475-V481 HydrophobicContact CB-CG2 3.56Å; L475-V481 HydrophobicContact CD1-CG2 4.47Å
476	S	91.7	Very high	92.9	Very high	24 Å²	24	36.5 Å²	36.5	17%	0.168	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	174.7	-166.9	69.1	0	0	0	0	112.6	V478 D479 V481	S476-V478 PolarHBondContact O-N 3.16Å; S476-V478 WeakPolarHBondContact OG-CB 3.46Å; S476-V478 PolarHBondContact OG-N 3.2Å; S476-D479 PolarHBondContact N-OD2 2.72Å; S476-D479 WeakPolarHBondContact O-CA 3.47Å; S476-D479 VanDerWaalsContact O-CB 3.29Å; S476-D479 WeakPolarHBondContact O-CB 3.2Å; S476-D479 PolarHBondContact O-N 2.83Å; S476-D479 PolarHBondContact OG-OD2 2.99Å; S476-V481 CarbonylContact C-O 3.56Å; S476-V481 WeakPolarHBondContact O-CG2 3.4Å; S476-V481 PolarHBondContact O-N 3.15Å
477	R	87.9	Confident	93	Very high	82 Å²	82	36.4 Å²	36.4	31%	0.309	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-56.8	-28.4	169.4	-176	174.6	173.6	-162.5	1.9	113.4	R344 V346 T353 F354 D479 N480 V481	R344-R477 PolarHBondContact O-NH1 2.82Å; V346-R477 HydrophobicContact CG2-CB 4.22Å; T353-R477 HydrophobicContact CG2-CG 4.1Å; T353-R477 VanDerWaalsContact O-CZ 3.24Å; T353-R477 PolarHBondContact O-NE 3.12Å; T353-R477 VanDerWaalsContact O-NE 3.12Å; T353-R477 PolarHBondContact O-NH2 3.46Å; T353-R477 WeakPolarHBondContact OG1-CD 3.48Å; T353-R477 PolarHBondContact OG1-NE 3.01Å; T353-R477 VanDerWaalsContact OG1-NE 3.15Å; T353-R477 PolarHBondContact OG1-NH1 2.93Å; F354-R477 HydrophobicContact CE1-CG 4Å; F354-R477 HydrophobicContact CZ-CG 4.44Å; R477-D479 PolarHBondContact O-N 3.01Å; R477-N480 WeakPolarHBondContact O-CA 3.17Å; R477-N480 PolarHBondContact O-N 3.03Å; R477-V481 WeakPolarHBondContact CA-O 3.35Å; R477-V481 PolarHBondContact N-O 3.43Å
478	V	87.3	Confident	92.8	Very high	134 Å²	134	42.9 Å²	42.9	81%	0.812	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-67.9	-26.2	175.4	-174.5	0	0	0	0	111.7	S476 N480	S476-V478 PolarHBondContact O-N 3.16Å; S476-V478 WeakPolarHBondContact OG-CB 3.46Å; S476-V478 PolarHBondContact OG-N 3.2Å; V478-N480 PolarHBondContact O-N 2.86Å
479	D	89.1	Confident	92.4	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.07	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-79.7	-0.1	172	-58.7	-77.6	0	0	0	112.5	N431 I443 R473 L475 S476 R477 V481	N431-D479 PolarHBondContact ND2-O 3.22Å; I443-D479 HydrophobicContact CD1-CB 3.54Å; I443-D479 WeakPolarHBondContact CD1-O 3.47Å; R473-D479 IonicContact CZ-OD1 3.74Å; R473-D479 VanDerWaalsContact CZ-OD1 3.31Å; R473-D479 IonicContact CZ-OD2 3.41Å; R473-D479 IonicContact NH1-OD1 2.67Å; R473-D479 PolarHBondContact NH1-OD1 3.37Å; R473-D479 IonicContact NH1-OD2 3.98Å; R473-D479 PolarHBondContact NH1-OD2 3.37Å; R473-D479 IonicContact NH2-OD1 3.31Å; R473-D479 PolarHBondContact NH2-OD1 3.15Å; R473-D479 IonicContact NH2-OD2 3.97Å; L475-D479 WeakPolarHBondContact CA-OD2 3.49Å; L475-D479 HydrophobicContact CD2-CB 4.01Å; S476-D479 PolarHBondContact N-OD2 2.72Å; S476-D479 WeakPolarHBondContact O-CA 3.47Å; S476-D479 VanDerWaalsContact O-CB 3.29Å; S476-D479 WeakPolarHBondContact O-CB 3.2Å; S476-D479 PolarHBondContact O-N 2.83Å; S476-D479 PolarHBondContact OG-OD2 2.99Å; R477-D479 PolarHBondContact O-N 3.01Å; D479-V481 VanDerWaalsContact C-N 3.35Å; D479-V481 HydrophobicContact CB-CG2 4.23Å
480	N	88.1	Confident	91.8	Very high	91 Å²	91	49.9 Å²	49.9	49%	0.487	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	44.9	-166.9	-51.7	-80.2	0	0	0	113.1	F354 R477 V478	F354-N480 HydrophobicContact CE1-CB 4.21Å; R477-N480 WeakPolarHBondContact O-CA 3.17Å; R477-N480 PolarHBondContact O-N 3.03Å; V478-N480 PolarHBondContact O-N 2.86Å
481	V	91.8	Very high	91.5	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	23%	0.233	C	C	.	.			trans	-127	154.6	169.3	-56.7	0	0	0	0	111.4	P372 L391 A430 N431 L475 S476 R477 D479	P372-V481 WeakPolarHBondContact O-CA 3.5Å; P372-V481 WeakPolarHBondContact O-CB 3.33Å; P372-V481 WeakPolarHBondContact O-CG1 3.37Å; L391-V481 HydrophobicContact CD2-CB 4.16Å; L391-V481 HydrophobicContact CD2-CG2 3.63Å; A430-V481 HydrophobicContact CB-CG1 4.06Å; N431-V481 HydrophobicContact CB-CG1 4.46Å; L475-V481 HydrophobicContact CB-CG2 3.56Å; L475-V481 HydrophobicContact CD1-CG2 4.47Å; S476-V481 CarbonylContact C-O 3.56Å; S476-V481 WeakPolarHBondContact O-CG2 3.4Å; S476-V481 PolarHBondContact O-N 3.15Å; R477-V481 WeakPolarHBondContact CA-O 3.35Å; R477-V481 PolarHBondContact N-O 3.43Å; D479-V481 VanDerWaalsContact C-N 3.35Å; D479-V481 HydrophobicContact CB-CG2 4.23Å
482	V	93	Very high	91	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.			trans	-135.1	133.1	168.9	169.1	0	0	0	0	106.7	V346 Y347 D350 T353 F354 W373	V346-V482 HydrophobicContact CG1-CG1 4.14Å; V346-V482 HydrophobicContact CG1-CG2 3.77Å; Y347-V482 VanDerWaalsContact O-CG1 3.23Å; Y347-V482 WeakPolarHBondContact O-CG1 3.42Å; D350-V482 WeakPolarHBondContact O-CG1 3.33Å; T353-V482 HydrophobicContact CG2-CG2 3.57Å; F354-V482 HydrophobicContact CE2-CB 4.27Å; F354-V482 HydrophobicContact CE2-CG2 3.54Å; F354-V482 HydrophobicContact CZ-CG2 3.76Å; W373-V482 WeakPolarHBondContact CA-O 3.44Å; W373-V482 WeakPolarHBondContact CB-O 3.42Å; W373-V482 PolarHBondContact N-O 3.43Å
483	P	95.4	Very high	90.6	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.026	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-68.2	144.4	175.9	28.1	-35.1	0	0	0	111.9	C348 G349 L391 V392 H393 A401	C348-P483 CarbonylContact C-O 3.47Å; C348-P483 WeakPolarHBondContact CA-O 3.4Å; C348-P483 WeakPolarHBondContact CB-O 3.48Å; G349-P483 PolarHBondContact N-O 2.95Å; L391-P483 HydrophobicContact CD2-CB 4.42Å; L391-P483 HydrophobicContact CG-CB 4.24Å; L391-P483 CarbonylContact O-C 3.52Å; L391-P483 VanDerWaalsContact O-CA 3.28Å; L391-P483 WeakPolarHBondContact O-CA 3.33Å; V392-P483 VanDerWaalsContact C-CB 3.46Å; H393-P483 HydrophobicContact CB-CB 4.09Å; H393-P483 HydrophobicContact CB-CG 4.06Å; A401-P483 HydrophobicContact CB-CG 3.82Å
484	V	95.5	Very high	89.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-75	147.7	170.8	70.3	0	0	0	0	110.5	W373 L391 V392 H393 V555 V562 L564	W373-V484 HydrophobicContact CB-CB 4.02Å; W373-V484 HydrophobicContact CB-CG1 4.4Å; W373-V484 HydrophobicContact CD2-CB 3.87Å; W373-V484 HydrophobicContact CD2-CG2 4.27Å; W373-V484 HydrophobicContact CE3-CB 4.21Å; W373-V484 HydrophobicContact CG-CB 3.78Å; W373-V484 HydrophobicContact CG-CG1 4.39Å; L391-V484 PolarHBondContact O-N 3.35Å; V392-V484 HydrophobicContact CG1-CG1 3.97Å; H393-V484 PolarHBondContact N-O 2.75Å; H393-V484 VanDerWaalsContact N-O 3.08Å; V484-V555 HydrophobicContact CG2-CG1 4.08Å; V484-V562 HydrophobicContact CG2-CB 4.46Å; V484-V562 HydrophobicContact CG2-CG1 3.98Å; V484-V562 WeakPolarHBondContact CG2-O 3.1Å; V484-L564 HydrophobicContact CG1-CB 3.81Å; V484-L564 HydrophobicContact CG1-CD2 4.19Å; V484-L564 HydrophobicContact CG2-CB 4.25Å
485	C	95.5	Very high	88.4	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	147.9	170.6	-61.6	0	0	0	0	110.3	C348 V562 Y563 L564	C348-C485 HydrophobicContact CB-CB 4.01Å; C348-C485 WeakPolarHBondContact CB-SG 3.22Å; C348-C485 PolarHBondContact O-SG 2.88Å; C348-C485 WeakPolarHBondContact SG-CA 3.47Å; C348-C485 WeakPolarHBondContact SG-CB 3.45Å; C348-C485 CovalentContact SG-SG 2.04Å; C348-C485 PolarHBondContact SG-SG 2.76Å; C485-V562 PolarHBondContact N-O 3.2Å; C485-Y563 HydrophobicContact CB-CD1 3.58Å; C485-Y563 HydrophobicContact CB-CE1 3.81Å; C485-Y563 HydrophobicContact CB-CG 4.38Å; C485-L564 WeakPolarHBondContact O-CB 3.33Å; C485-L564 PolarHBondContact O-N 3.02Å
486	L	95.1	Very high	86.7	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.089	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.1	164.4	-53.7	171.8	0	0	0	108.1	V392 H393 I408 L564 I590 F597	V392-L486 HydrophobicContact CB-CD2 3.93Å; V392-L486 HydrophobicContact CG1-CD2 4Å; V392-L486 HydrophobicContact CG2-CD2 4.39Å; H393-L486 WeakPolarHBondContact O-CD1 3.43Å; H393-L486 WeakPolarHBondContact O-CG 3.13Å; I408-L486 HydrophobicContact CD1-CD2 4.01Å; L486-L564 HydrophobicContact CD2-CD2 4.31Å; L486-I590 HydrophobicContact CB-CG1 4.3Å; L486-I590 HydrophobicContact CD2-CD1 3.86Å; L486-I590 HydrophobicContact CD2-CG1 3.68Å; L486-F597 HydrophobicContact CD1-CD2 3.8Å; L486-F597 HydrophobicContact CD1-CE2 3.72Å
487	A	93.4	Very high	85.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.5	155.4	168.7	0	0	0	0	0	111	L564 Y565 I590 H594	A487-L564 WeakPolarHBondContact CB-O 3.15Å; A487-L564 PolarHBondContact N-O 2.97Å; A487-Y565 HydrophobicContact CB-CD1 3.4Å; A487-Y565 VanDerWaalsContact CB-CD1 3.4Å; A487-Y565 HydrophobicContact CB-CD2 3.98Å; A487-Y565 HydrophobicContact CB-CE1 3.44Å; A487-Y565 VanDerWaalsContact CB-CE1 3.44Å; A487-Y565 HydrophobicContact CB-CE2 4Å; A487-Y565 HydrophobicContact CB-CG 3.68Å; A487-I590 HydrophobicContact CB-CG2 4.23Å; A487-H594 PolarHBondContact O-NE2 2.79Å
488	E	89.7	Confident	85.2	Confident	136 Å²	136	40.1 Å²	40.1	64%	0.636	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-60.2	152.3	-177.4	-64.3	-174.6	161.3	0	0	112.8	D490 S491	E488-D490 PolarHBondContact O-N 3.49Å; E488-S491 PolarHBondContact N-OG 2.88Å; E488-S491 VanDerWaalsContact O-CB 3.27Å; E488-S491 WeakPolarHBondContact O-CB 3.25Å; E488-S491 PolarHBondContact O-N 3.48Å; E488-S491 VanDerWaalsContact O-N 3.13Å; E488-S491 PolarHBondContact O-OG 3.44Å
489	R	86.9	Confident	85.2	Confident	100 Å²	100	33.8 Å²	33.8	38%	0.377	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	135.9	-177	-161.2	-178.3	-179	-84	0.7	110.5	S491 N591 H594 D595	R489-S491 PolarHBondContact O-N 3.03Å; R489-N591 WeakPolarHBondContact CG-OD1 3.29Å; R489-H594 HydrophobicContact CG-CB 4.18Å; R489-D595 IonicContact CZ-OD1 3.11Å; R489-D595 VanDerWaalsContact CZ-OD1 3.29Å; R489-D595 IonicContact CZ-OD2 2.7Å; R489-D595 IonicContact NE-OD1 2.77Å; R489-D595 PolarHBondContact NE-OD1 2.99Å; R489-D595 IonicContact NE-OD2 2.75Å; R489-D595 IonicContact NH2-OD1 2.87Å; R489-D595 PolarHBondContact NH2-OD1 2.86Å; R489-D595 IonicContact NH2-OD2 3.9Å; R489-D595 PolarHBondContact NH2-OD2 1.86Å
490	D	83.2	Confident	85.2	Confident	59 Å²	59	34 Å²	34	32%	0.316	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	2.6	-174.6	-59.9	-68.5	0	0	0	116.5	E488 R523 R535 N591	E488-D490 PolarHBondContact O-N 3.49Å; D490-R523 PolarHBondContact O-NH1 3.21Å; D490-R523 PolarHBondContact O-NH2 2.59Å; D490-R535 IonicContact OD1-CZ 3.58Å; D490-R535 IonicContact OD1-NH1 3.55Å; D490-R535 PolarHBondContact OD1-NH1 3.24Å; D490-R535 IonicContact OD1-NH2 2.69Å; D490-R535 PolarHBondContact OD1-NH2 3Å; D490-N591 PolarHBondContact N-OD1 3.24Å; D490-N591 PolarHBondContact OD1-ND2 3.04Å
491	S	87.1	Confident	85.3	Confident	36 Å²	36	29.7 Å²	29.7	25%	0.252	17%	0.165	S	C	.	.			trans	-68	159.8	171	76.7	0	0	0	0	112.4	E488 R489 Y565	E488-S491 PolarHBondContact N-OG 2.88Å; E488-S491 VanDerWaalsContact O-CB 3.27Å; E488-S491 WeakPolarHBondContact O-CB 3.25Å; E488-S491 PolarHBondContact O-N 3.48Å; E488-S491 VanDerWaalsContact O-N 3.13Å; E488-S491 PolarHBondContact O-OG 3.44Å; R489-S491 PolarHBondContact O-N 3.03Å; S491-Y565 WeakPolarHBondContact OG-CE1 3.32Å
492	V	85.4	Confident	85.3	Confident	41 Å²	41	29.5 Å²	29.5	25%	0.248	16%	0.164	C	C	.	.			trans	-130.2	157.7	173.3	-68	0	0	0	0	107.7	P522 R523 Y565	V492-P522 HydrophobicContact CB-CB 4.1Å; V492-P522 HydrophobicContact CB-CG 3.74Å; V492-P522 HydrophobicContact CG1-CB 4.48Å; V492-P522 HydrophobicContact CG1-CG 4.07Å; V492-P522 HydrophobicContact CG2-CB 4.5Å; V492-P522 HydrophobicContact CG2-CG 3.65Å; V492-R523 HydrophobicContact CG1-CG 4.11Å; V492-Y565 VanDerWaalsContact O-CE1 3.3Å; V492-Y565 WeakPolarHBondContact O-CE1 3.16Å
493	P	84.8	Confident	85.1	Confident	2 Å²	2	30 Å²	30	1%	0.013	17%	0.166	C	C	.	.			trans	-52.8	127.9	176.4	-26.8	34.5	0	0	0	111	I518 V537 M554 Y565	P493-I518 HydrophobicContact CB-CD1 4.2Å; P493-I518 HydrophobicContact CB-CG1 3.89Å; P493-I518 HydrophobicContact CB-CG2 4.27Å; P493-I518 HydrophobicContact CG-CD1 4.06Å; P493-I518 HydrophobicContact CG-CG1 4.3Å; P493-V537 HydrophobicContact CG-CG1 4.14Å; P493-M554 HydrophobicContact CG-CE 3.83Å; P493-Y565 HydrophobicContact CB-CD2 4.5Å; P493-Y565 HydrophobicContact CB-CG 4.42Å; P493-Y565 HydrophobicContact CG-CD1 3.89Å; P493-Y565 HydrophobicContact CG-CD2 4.15Å; P493-Y565 HydrophobicContact CG-CG 3.68Å
494	P	78.8	Confident	84.9	Confident	37 Å²	37	30.4 Å²	30.4	24%	0.24	17%	0.167	C	C	.	.			trans	-56.9	138.6	167.9	-21.5	32.2	0	0	0	108.6	S496 A497 V558 Y565	P494-S496 PolarHBondContact O-N 3.27Å; P494-S496 VanDerWaalsContact O-N 3.15Å; P494-A497 HydrophobicContact CB-CB 4.25Å; P494-A497 HydrophobicContact CG-CB 4.36Å; P494-A497 WeakPolarHBondContact O-CB 3.39Å; P494-A497 PolarHBondContact O-N 3.19Å; P494-V558 HydrophobicContact CG-CG1 4.38Å; P494-V558 HydrophobicContact CG-CG2 4.14Å; P494-Y565 WeakPolarHBondContact CD-OH 3.46Å
495	P	62.6	Low	84.5	Confident	49 Å²	49	31 Å²	31	32%	0.318	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.4	175.8	-24.3	33.2	0	0	0	111.6	A497 L1135 P1136 S1137	P495-A497 PolarHBondContact O-N 2.96Å; P495-A497 VanDerWaalsContact O-N 3.15Å; P495-L1135 HydrophobicContact CB-CB 4.42Å; P495-L1135 HydrophobicContact CB-CD2 4.22Å; P495-L1135 HydrophobicContact CG-CD2 4.16Å; P495-P1136 HydrophobicContact CB-CG 4.28Å; P495-S1137 WeakPolarHBondContact O-CA 3.49Å; P495-S1137 WeakPolarHBondContact O-CB 3.29Å; P495-S1137 PolarHBondContact O-N 3.46Å; P495-S1137 PolarHBondContact O-OG 3Å
496	S	58.2	Low	84	Confident	65 Å²	65	35.2 Å²	35.2	46%	0.455	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.9	176.6	51.9	0	0	0	0	115.7	P494	P494-S496 PolarHBondContact O-N 3.27Å; P494-S496 VanDerWaalsContact O-N 3.15Å
497	A	69.3	Low	83.4	Confident	14 Å²	14	42.8 Å²	42.8	12%	0.116	22%	0.216	C	C	.	.	S	Bend	trans	-87.1	126.8	-168.8	0	0	0	0	0	112.1	P494 P495 C499 C556 L557 V558	P494-A497 HydrophobicContact CB-CB 4.25Å; P494-A497 HydrophobicContact CG-CB 4.36Å; P494-A497 WeakPolarHBondContact O-CB 3.39Å; P494-A497 PolarHBondContact O-N 3.19Å; P495-A497 PolarHBondContact O-N 2.96Å; P495-A497 VanDerWaalsContact O-N 3.15Å; A497-C499 PolarHBondContact O-N 3.17Å; A497-C499 VanDerWaalsContact O-N 3.11Å; A497-C556 HydrophobicContact CB-CB 4.02Å; A497-L557 WeakPolarHBondContact CB-O 3.5Å; A497-V558 HydrophobicContact CB-CG2 3.95Å
498	S	79.8	Confident	82.8	Confident	38 Å²	38	46.9 Å²	46.9	27%	0.266	24%	0.235	S	C	.	.			trans	-66.6	108.8	167.9	-55.6	0	0	0	0	109.1	C556 L557	S498-C556 WeakPolarHBondContact O-CA 3.45Å; S498-L557 PolarHBondContact O-N 3.02Å
499	C	86.1	Confident	82.5	Confident	1 Å²	1	44 Å²	44	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.6	179.8	-65.7	0	0	0	0	110.8	A497 I515 V516 I518 M554 V555 C556	A497-C499 PolarHBondContact O-N 3.17Å; A497-C499 VanDerWaalsContact O-N 3.11Å; C499-I515 CarbonylContact O-C 3.55Å; C499-I515 WeakPolarHBondContact O-CA 3.44Å; C499-I515 WeakPolarHBondContact O-CG1 3.12Å; C499-V516 HydrophobicContact CB-CG2 4.11Å; C499-V516 PolarHBondContact O-N 2.87Å; C499-I518 HydrophobicContact CB-CD1 4.06Å; C499-I518 HydrophobicContact CB-CG1 4.23Å; C499-M554 HydrophobicContact CB-CG 4.5Å; C499-V555 CarbonylContact C-O 3.42Å; C499-V555 VanDerWaalsContact CA-O 3.32Å; C499-V555 WeakPolarHBondContact CA-O 3.24Å; C499-C556 HydrophobicContact CB-CB 4.09Å; C499-C556 WeakPolarHBondContact CB-SG 3.34Å; C499-C556 WeakPolarHBondContact SG-CB 3.26Å; C499-C556 CovalentContact SG-SG 2.04Å; C499-C556 PolarHBondContact SG-SG 3.01Å
500	Y	89.7	Confident	82.4	Confident	18 Å²	18	42.9 Å²	42.9	7%	0.071	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.5	-178.5	-57.9	-84.1	0	0	0	111	V362 F371 E514 I515 V555	V362-Y500 HydrophobicContact CB-CE1 4.41Å; V362-Y500 HydrophobicContact CG1-CD1 4.04Å; V362-Y500 HydrophobicContact CG1-CE1 4.19Å; V362-Y500 HydrophobicContact CG2-CE1 3.98Å; F371-Y500 HydrophobicContact CE2-CG 4.48Å; F371-Y500 HydrophobicContact CZ-CD2 4.35Å; F371-Y500 HydrophobicContact CZ-CG 4.18Å; Y500-E514 CarbonylContact C-O 3.48Å; Y500-E514 WeakPolarHBondContact CA-O 3.2Å; Y500-I515 HydrophobicContact CD1-CB 4.05Å; Y500-I515 HydrophobicContact CD1-CG1 4.35Å; Y500-I515 HydrophobicContact CE1-CB 3.97Å; Y500-I515 HydrophobicContact CE1-CD1 4.32Å; Y500-I515 HydrophobicContact CE1-CG1 4.11Å; Y500-V555 PolarHBondContact N-O 2.97Å; Y500-V555 PolarHBondContact O-N 3.41Å
501	V	90.6	Very high	82.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.2	178.3	175.1	0	0	0	0	108.7	Y503 E514 V516 Q549 M554 Y587	V501-Y503 HydrophobicContact CB-CE2 3.8Å; V501-Y503 HydrophobicContact CG1-CD2 4.25Å; V501-Y503 HydrophobicContact CG1-CE2 3.54Å; V501-Y503 WeakPolarHBondContact O-CD2 3.15Å; V501-Y503 WeakPolarHBondContact O-CE2 3.04Å; V501-E514 PolarHBondContact N-O 3.13Å; V501-E514 PolarHBondContact O-N 2.9Å; V501-V516 HydrophobicContact CB-CG1 3.96Å; V501-V516 HydrophobicContact CG2-CB 4.26Å; V501-V516 HydrophobicContact CG2-CG1 3.67Å; V501-V516 HydrophobicContact CG2-CG2 3.55Å; V501-Q549 HydrophobicContact CG1-CG 4.24Å; V501-M554 HydrophobicContact CG2-CB 4.05Å; V501-M554 HydrophobicContact CG2-CG 4.13Å; V501-Y587 VanDerWaalsContact CG1-OH 3.31Å; V501-Y587 WeakPolarHBondContact CG1-OH 3.42Å; V501-Y587 HydrophobicContact CG2-CE1 4.23Å; V501-Y587 WeakPolarHBondContact CG2-OH 3.47Å
502	T	91.2	Very high	82.3	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	143.4	178.9	-48.7	0	0	0	0	111.8	N374 I388 M511 D512 E513 S552	N374-T502 WeakPolarHBondContact ND2-CG2 3.26Å; N374-T502 PolarHBondContact ND2-OG1 2.63Å; I388-T502 HydrophobicContact CD1-CG2 4.4Å; T502-M511 HydrophobicContact CG2-CB 4.33Å; T502-M511 HydrophobicContact CG2-CE 3.51Å; T502-M511 HydrophobicContact CG2-SD 4.31Å; T502-D512 CarbonylContact C-O 3.58Å; T502-D512 WeakPolarHBondContact CA-O 3.37Å; T502-E513 HydrophobicContact CG2-CG 4.22Å; T502-E513 WeakPolarHBondContact CG2-OE1 3.39Å; T502-S552 WeakPolarHBondContact O-CB 3.36Å; T502-S552 PolarHBondContact O-OG 3.42Å
503	Y	90	Very high	82.3	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.4	-179.3	-60.1	-101.9	0	0	0	109.4	V501 M511 D512 E514 Y547 Q549	V501-Y503 HydrophobicContact CB-CE2 3.8Å; V501-Y503 HydrophobicContact CG1-CD2 4.25Å; V501-Y503 HydrophobicContact CG1-CE2 3.54Å; V501-Y503 WeakPolarHBondContact O-CD2 3.15Å; V501-Y503 WeakPolarHBondContact O-CE2 3.04Å; Y503-M511 CarbonylContact O-C 3.45Å; Y503-M511 WeakPolarHBondContact O-CA 3.42Å; Y503-D512 PolarHBondContact N-O 2.84Å; Y503-D512 PolarHBondContact O-N 3.42Å; Y503-E514 HydrophobicContact CD2-CB 4.21Å; Y503-E514 HydrophobicContact CE2-CB 3.86Å; Y503-E514 HydrophobicContact CE2-CG 4.5Å; Y503-Y547 AromaticContact CD1-CD2 3.7Å; Y503-Y547 HydrophobicContact CD1-CD2 3.7Å; Y503-Y547 HydrophobicContact CD1-CG 4.42Å; Y503-Y547 AromaticContact CG-CD2 3.85Å; Y503-Y547 HydrophobicContact CG-CD2 3.85Å; Y503-Y547 HydrophobicContact CG-CE2 4.47Å; Y503-Q549 HydrophobicContact CD1-CB 3.96Å; Y503-Q549 HydrophobicContact CD1-CG 3.8Å; Y503-Q549 HydrophobicContact CE1-CB 4.13Å; Y503-Q549 HydrophobicContact CE1-CG 3.6Å; Y503-Q549 PolarHBondContact OH-NE2 3.46Å; Y503-Q549 VanDerWaalsContact OH-NE2 3.16Å
504	Y	90.3	Very high	82	Confident	13 Å²	13	42 Å²	42	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118	170.7	169.7	-92.3	0	0	0	110.1	T385 F435 K506 H509 R510 M511 Y547 I548	T385-Y504 HydrophobicContact CG2-CD1 4Å; T385-Y504 HydrophobicContact CG2-CD2 4.49Å; T385-Y504 HydrophobicContact CG2-CE1 4.32Å; T385-Y504 HydrophobicContact CG2-CG 4.09Å; F435-Y504 HydrophobicContact CB-CE2 4.47Å; F435-Y504 PolarHBondContact O-OH 2.85Å; F435-Y504 VanDerWaalsContact O-OH 3.12Å; Y504-K506 HydrophobicContact CD1-CG 4.34Å; Y504-K506 HydrophobicContact CE1-CG 4.2Å; Y504-K506 PolarHBondContact O-N 3.06Å; Y504-H509 PolarHBondContact OH-ND1 2.93Å; Y504-R510 WeakPolarHBondContact CA-O 3.49Å; Y504-R510 WeakPolarHBondContact CD2-O 3.25Å; Y504-M511 HydrophobicContact CD2-CG 4.42Å; Y504-M511 HydrophobicContact CD2-SD 4.17Å; Y504-M511 HydrophobicContact CG-SD 4.46Å; Y504-Y547 CarbonylContact O-C 3.56Å; Y504-Y547 VanDerWaalsContact O-CA 3.32Å; Y504-Y547 WeakPolarHBondContact O-CA 3.05Å; Y504-I548 HydrophobicContact CD1-CB 4.33Å; Y504-I548 HydrophobicContact CD1-CD1 3.77Å; Y504-I548 HydrophobicContact CD1-CG1 4Å; Y504-I548 HydrophobicContact CE1-CD1 4.24Å; Y504-I548 PolarHBondContact N-O 3.44Å; Y504-I548 PolarHBondContact O-N 2.93Å
505	D	87.7	Confident	81.9	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.9	175	-170.4	-11.7	0	0	0	111	R507 E508 H509 R510 Y547	D505-R507 VanDerWaalsContact C-N 3.3Å; D505-R507 PolarHBondContact O-N 3.39Å; D505-R507 WeakPolarHBondContact OD1-CB 3.3Å; D505-R507 PolarHBondContact OD1-N 2.85Å; D505-E508 HydrophobicContact CB-CB 4.28Å; D505-E508 PolarHBondContact OD1-N 3.45Å; D505-E508 WeakPolarHBondContact OD2-CG 3.26Å; D505-H509 WeakPolarHBondContact O-CA 3.44Å; D505-H509 PolarHBondContact O-N 2.93Å; D505-R510 HydrophobicContact CB-CG 4.48Å; D505-R510 PolarHBondContact N-O 2.83Å; D505-Y547 HydrophobicContact CB-CD1 4.02Å; D505-Y547 HydrophobicContact CB-CE1 3.82Å
506	K	84	Confident	82.5	Confident	92 Å²	92	40.5 Å²	40.5	40%	0.4	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.4	176.7	-62.3	175.7	-154.3	116.4	0	113.5	Y504 H509 R545 Q546 Y547 I548	Y504-K506 HydrophobicContact CD1-CG 4.34Å; Y504-K506 HydrophobicContact CE1-CG 4.2Å; Y504-K506 PolarHBondContact O-N 3.06Å; K506-H509 PolarHBondContact O-CE1 3.41Å; K506-H509 PolarHBondContact O-ND1 2.9Å; K506-H509 VanDerWaalsContact O-ND1 3.12Å; K506-R545 PolarHBondContact NZ-O 2.88Å; K506-Q546 WeakPolarHBondContact CB-O 3.38Å; K506-Q546 WeakPolarHBondContact CD-O 3.43Å; K506-Q546 VanDerWaalsContact CE-O 3.23Å; K506-Q546 WeakPolarHBondContact CE-O 3.2Å; K506-Q546 WeakPolarHBondContact CG-O 3.37Å; K506-Q546 VanDerWaalsContact NZ-C 3.27Å; K506-Q546 PolarHBondContact NZ-O 2.9Å; K506-Y547 WeakPolarHBondContact CE-O 3.29Å; K506-Y547 PolarHBondContact NZ-O 2.73Å; K506-I548 HydrophobicContact CD-CG1 4.23Å; K506-I548 HydrophobicContact CG-CD1 4.3Å; K506-I548 HydrophobicContact CG-CG1 4.02Å
507	R	82.2	Confident	82.7	Confident	176 Å²	176	39.3 Å²	39.3	66%	0.664	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-53.6	177.4	-71.4	-167.6	174.2	164.1	-9.1	111.4	D505 H509 Q546	D505-R507 VanDerWaalsContact C-N 3.3Å; D505-R507 PolarHBondContact O-N 3.39Å; D505-R507 WeakPolarHBondContact OD1-CB 3.3Å; D505-R507 PolarHBondContact OD1-N 2.85Å; R507-H509 VanDerWaalsContact C-N 3.33Å; R507-Q546 VanDerWaalsContact CZ-CD 3.49Å; R507-Q546 VanDerWaalsContact NE-OE1 3.11Å
508	E	81.2	Confident	82.9	Confident	85 Å²	85	39.3 Å²	39.3	40%	0.397	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.4	-173.8	-65.1	-63.4	170.2	0	0	113.9	R99 D505 R510	R99-E508 IonicContact CZ-OE1 2.99Å; R99-E508 IonicContact CZ-OE2 2.86Å; R99-E508 IonicContact NH1-OE1 2.75Å; R99-E508 PolarHBondContact NH1-OE1 2.78Å; R99-E508 IonicContact NH1-OE2 3.92Å; R99-E508 PolarHBondContact NH1-OE2 3.02Å; R99-E508 IonicContact NH2-OE1 2.78Å; R99-E508 IonicContact NH2-OE2 2.96Å; R99-E508 PolarHBondContact NH2-OE2 2.9Å; D505-E508 HydrophobicContact CB-CB 4.28Å; D505-E508 PolarHBondContact OD1-N 3.45Å; D505-E508 WeakPolarHBondContact OD2-CG 3.26Å; E508-R510 HydrophobicContact CB-CG 4.11Å; E508-R510 PolarHBondContact O-N 3.02Å
509	H	84.1	Confident	82	Confident	76 Å²	76	38.7 Å²	38.7	35%	0.352	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	38.1	175.5	-65.3	-22.5	0	0	0	112.7	R434 F435 S436 Y504 D505 K506 R507	R434-H509 CarbonylContact C-O 3.59Å; R434-H509 VanDerWaalsContact CA-O 3.24Å; R434-H509 WeakPolarHBondContact CA-O 2.91Å; F435-H509 PolarHBondContact N-O 2.82Å; F435-H509 WeakPolarHBondContact O-CB 2.97Å; S436-H509 WeakPolarHBondContact CB-CD2 3.37Å; Y504-H509 PolarHBondContact OH-ND1 2.93Å; D505-H509 WeakPolarHBondContact O-CA 3.44Å; D505-H509 PolarHBondContact O-N 2.93Å; K506-H509 PolarHBondContact O-CE1 3.41Å; K506-H509 PolarHBondContact O-ND1 2.9Å; K506-H509 VanDerWaalsContact O-ND1 3.12Å; R507-H509 VanDerWaalsContact C-N 3.33Å
510	R	84.5	Confident	80.7	Confident	77 Å²	77	40.1 Å²	40.1	29%	0.291	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	163.2	-179.6	70.5	177.6	-174.6	137.3	7.7	112	P433 R434 Y504 D505 E508 D512	P433-R510 WeakPolarHBondContact O-CA 3.23Å; P433-R510 WeakPolarHBondContact O-CB 3.23Å; R434-R510 HydrophobicContact CG-CB 4.25Å; Y504-R510 WeakPolarHBondContact CA-O 3.49Å; Y504-R510 WeakPolarHBondContact CD2-O 3.25Å; D505-R510 HydrophobicContact CB-CG 4.48Å; D505-R510 PolarHBondContact N-O 2.83Å; E508-R510 HydrophobicContact CB-CG 4.11Å; E508-R510 PolarHBondContact O-N 3.02Å; R510-D512 WeakPolarHBondContact CD-OD1 3.33Å; R510-D512 WeakPolarHBondContact CG-OD1 3.34Å; R510-D512 IonicContact CZ-OD1 3.52Å; R510-D512 IonicContact CZ-OD2 3Å; R510-D512 VanDerWaalsContact NE-CG 3.3Å; R510-D512 IonicContact NE-OD1 3.13Å; R510-D512 PolarHBondContact NE-OD1 2.87Å; R510-D512 IonicContact NE-OD2 2.6Å; R510-D512 PolarHBondContact NE-OD2 3.07Å; R510-D512 IonicContact NH1-OD1 2.88Å; R510-D512 PolarHBondContact NH1-OD1 3.12Å; R510-D512 IonicContact NH2-OD1 2.65Å; R510-D512 PolarHBondContact NH2-OD1 3.04Å; R510-D512 IonicContact NH2-OD2 2.68Å; R510-D512 PolarHBondContact NH2-OD2 3Å
511	M	85.1	Confident	79.6	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.2	165.3	-65.9	-85	-77.6	0	0	107.9	M370 N374 I376 I388 P433 T502 Y503 Y504	M370-M511 HydrophobicContact CB-CB 4.3Å; M370-M511 HydrophobicContact CE-CB 4.01Å; M370-M511 HydrophobicContact CE-CE 4.08Å; M370-M511 HydrophobicContact CE-CG 3.55Å; N374-M511 HydrophobicContact CB-CE 4.09Å; I376-M511 HydrophobicContact CD1-CG 3.81Å; I376-M511 HydrophobicContact CD1-SD 4.14Å; I376-M511 HydrophobicContact CG1-CE 4.2Å; I376-M511 HydrophobicContact CG1-CG 4.21Å; I376-M511 HydrophobicContact CG1-SD 4Å; I388-M511 HydrophobicContact CB-CE 4.46Å; I388-M511 HydrophobicContact CD1-CE 3.83Å; I388-M511 HydrophobicContact CD1-SD 3.74Å; I388-M511 HydrophobicContact CG1-CE 3.79Å; I388-M511 HydrophobicContact CG1-SD 3.87Å; I388-M511 HydrophobicContact CG2-CE 3.84Å; P433-M511 PolarHBondContact O-N 3.03Å; P433-M511 VanDerWaalsContact O-N 3.07Å; T502-M511 HydrophobicContact CG2-CB 4.33Å; T502-M511 HydrophobicContact CG2-CE 3.51Å; T502-M511 HydrophobicContact CG2-SD 4.31Å; Y503-M511 CarbonylContact O-C 3.45Å; Y503-M511 WeakPolarHBondContact O-CA 3.42Å; Y504-M511 HydrophobicContact CD2-CG 4.42Å; Y504-M511 HydrophobicContact CD2-SD 4.17Å; Y504-M511 HydrophobicContact CG-SD 4.46Å
512	D	82.1	Confident	78.7	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.8	-178.3	-72.9	-21.4	0	0	0	109.8	T502 Y503 R510	T502-D512 CarbonylContact C-O 3.58Å; T502-D512 WeakPolarHBondContact CA-O 3.37Å; Y503-D512 PolarHBondContact N-O 2.84Å; Y503-D512 PolarHBondContact O-N 3.42Å; R510-D512 WeakPolarHBondContact CD-OD1 3.33Å; R510-D512 WeakPolarHBondContact CG-OD1 3.34Å; R510-D512 IonicContact CZ-OD1 3.52Å; R510-D512 IonicContact CZ-OD2 3Å; R510-D512 VanDerWaalsContact NE-CG 3.3Å; R510-D512 IonicContact NE-OD1 3.13Å; R510-D512 PolarHBondContact NE-OD1 2.87Å; R510-D512 IonicContact NE-OD2 2.6Å; R510-D512 PolarHBondContact NE-OD2 3.07Å; R510-D512 IonicContact NH1-OD1 2.88Å; R510-D512 PolarHBondContact NH1-OD1 3.12Å; R510-D512 IonicContact NH2-OD1 2.65Å; R510-D512 PolarHBondContact NH2-OD1 3.04Å; R510-D512 IonicContact NH2-OD2 2.68Å; R510-D512 PolarHBondContact NH2-OD2 3Å
513	E	86.6	Confident	78.2	Confident	34 Å²	34	50.6 Å²	50.6	16%	0.159	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.6	-176.9	-81.1	75.9	179.3	0	0	109.8	V362 M370 F371 N374 T502	V362-E513 HydrophobicContact CG1-CB 3.69Å; M370-E513 WeakPolarHBondContact CA-OE1 3.46Å; F371-E513 HydrophobicContact CD2-CG 3.51Å; F371-E513 HydrophobicContact CE2-CB 4.25Å; F371-E513 HydrophobicContact CE2-CG 3.52Å; F371-E513 HydrophobicContact CG-CG 4.2Å; F371-E513 HydrophobicContact CZ-CG 4.22Å; F371-E513 PolarHBondContact N-OE1 3.18Å; N374-E513 PolarHBondContact ND2-OE1 2.84Å; T502-E513 HydrophobicContact CG2-CG 4.22Å; T502-E513 WeakPolarHBondContact CG2-OE1 3.39Å
514	E	77.7	Confident	77.1	Confident	63 Å²	63	50.5 Å²	50.5	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.5	-174.8	172.4	167.2	-155.3	0	0	110.8	Y500 V501 Y503 K544	Y500-E514 CarbonylContact C-O 3.48Å; Y500-E514 WeakPolarHBondContact CA-O 3.2Å; V501-E514 PolarHBondContact N-O 3.13Å; V501-E514 PolarHBondContact O-N 2.9Å; Y503-E514 HydrophobicContact CD2-CB 4.21Å; Y503-E514 HydrophobicContact CE2-CB 3.86Å; Y503-E514 HydrophobicContact CE2-CG 4.5Å; E514-K544 IonicContact OE1-NZ 3.79Å; E514-K544 PolarHBondContact OE1-NZ 3.28Å; E514-K544 IonicContact OE2-NZ 2.78Å; E514-K544 PolarHBondContact OE2-NZ 3.12Å
515	I	76.8	Confident	75.8	Confident	46 Å²	46	51.9 Å²	51.9	24%	0.236	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.9	178.2	-165.4	171.9	0	0	0	110.5	C499 Y500	C499-I515 CarbonylContact O-C 3.55Å; C499-I515 WeakPolarHBondContact O-CA 3.44Å; C499-I515 WeakPolarHBondContact O-CG1 3.12Å; Y500-I515 HydrophobicContact CD1-CB 4.05Å; Y500-I515 HydrophobicContact CD1-CG1 4.35Å; Y500-I515 HydrophobicContact CE1-CB 3.97Å; Y500-I515 HydrophobicContact CE1-CD1 4.32Å; Y500-I515 HydrophobicContact CE1-CG1 4.11Å
516	V	75.1	Confident	74.1	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.3	-178.5	-57.5	0	0	0	0	112.3	C499 V501 A539 E541 M554	C499-V516 HydrophobicContact CB-CG2 4.11Å; C499-V516 PolarHBondContact O-N 2.87Å; V501-V516 HydrophobicContact CB-CG1 3.96Å; V501-V516 HydrophobicContact CG2-CB 4.26Å; V501-V516 HydrophobicContact CG2-CG1 3.67Å; V501-V516 HydrophobicContact CG2-CG2 3.55Å; V516-A539 HydrophobicContact CB-CB 3.98Å; V516-A539 HydrophobicContact CG2-CB 3.81Å; V516-E541 HydrophobicContact CG1-CG 4.01Å; V516-M554 HydrophobicContact CG2-CG 4.45Å
517	M	63.6	Low	71.9	Confident	40 Å²	40	53.3 Å²	53.3	20%	0.197	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.1	-175	-64.1	-58.6	-83.5	0	0	111.5	A539 M540 V1138	M517-A539 CarbonylContact O-C 3.47Å; M517-A539 WeakPolarHBondContact O-CA 3.47Å; M517-M540 HydrophobicContact CB-CE 3.51Å; M517-M540 HydrophobicContact CG-CE 4.41Å; M517-M540 PolarHBondContact O-N 2.69Å; M517-V1138 HydrophobicContact CE-CG1 3.48Å; M517-V1138 VanDerWaalsContact CE-CG1 3.48Å
518	I	72.2	Confident	69.9	Low	15 Å²	15	51.2 Å²	51.2	8%	0.077	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.6	-178.7	-54.8	-59.4	0	0	0	111.1	P493 C499 P522 A539 M554	P493-I518 HydrophobicContact CB-CD1 4.2Å; P493-I518 HydrophobicContact CB-CG1 3.89Å; P493-I518 HydrophobicContact CB-CG2 4.27Å; P493-I518 HydrophobicContact CG-CD1 4.06Å; P493-I518 HydrophobicContact CG-CG1 4.3Å; C499-I518 HydrophobicContact CB-CD1 4.06Å; C499-I518 HydrophobicContact CB-CG1 4.23Å; I518-P522 HydrophobicContact CG2-CB 3.71Å; I518-A539 HydrophobicContact CD1-CB 4.17Å; I518-M554 HydrophobicContact CD1-CE 4.33Å; I518-M554 HydrophobicContact CD1-SD 3.57Å; I518-M554 VanDerWaalsContact CD1-SD 3.57Å
519	T	62.2	Low	67.8	Low	25 Å²	25	50.9 Å²	50.9	15%	0.153	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	149.5	-178.1	53.6	0	0	0	0	113	K521 P522 C538 M540 L584	T519-K521 VanDerWaalsContact C-N 3.31Å; T519-K521 CarbonylContact O-C 3.55Å; T519-K521 PolarHBondContact O-N 2.85Å; T519-K521 PolarHBondContact OG1-O 2.73Å; T519-P522 VanDerWaalsContact O-CA 3.3Å; T519-P522 WeakPolarHBondContact O-CA 3.24Å; T519-C538 HydrophobicContact CG2-CB 4.04Å; T519-C538 PolarHBondContact N-O 2.74Å; T519-C538 VanDerWaalsContact OG1-CB 3.25Å; T519-C538 WeakPolarHBondContact OG1-CB 3.23Å; T519-C538 PolarHBondContact OG1-O 2.76Å; T519-M540 HydrophobicContact CG2-CG 4.04Å; T519-L584 HydrophobicContact CG2-CD1 4.26Å; T519-L584 HydrophobicContact CG2-CD2 4.01Å
520	R	58.3	Low	65.9	Low	30 Å²	30	58.3 Å²	58.3	11%	0.113	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	-45.7	-175.6	-133.3	180	-158	143.1	14	114.4	P522 Y1058 Y1061 L1064 L1135	R520-P522 WeakPolarHBondContact O-CD 3.17Å; R520-Y1058 HydrophobicContact CB-CD1 3.88Å; R520-Y1058 HydrophobicContact CB-CE1 3.58Å; R520-Y1058 HydrophobicContact CG-CD1 3.96Å; R520-Y1058 HydrophobicContact CG-CE1 3.55Å; R520-Y1058 VanDerWaalsContact CZ-CG 3.44Å; R520-Y1058 VanDerWaalsContact NH2-CD2 3.27Å; R520-Y1058 VanDerWaalsContact NH2-CE2 3.3Å; R520-Y1061 HydrophobicContact CB-CE2 4.11Å; R520-L1064 VanDerWaalsContact CZ-CB 3.44Å; R520-L1064 PolarHBondContact NH1-O 2.97Å; R520-L1135 HydrophobicContact CB-CD2 4.46Å; R520-L1135 HydrophobicContact CG-CD1 3.57Å; R520-L1135 HydrophobicContact CG-CD2 3.54Å; R520-L1135 HydrophobicContact CG-CG 4.2Å
521	K	65.5	Low	63.7	Low	128 Å²	128	57 Å²	57	56%	0.557	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	106.2	156.5	-72.1	170.6	-171	157.6	0	105	T519 R523 Y1061	T519-K521 VanDerWaalsContact C-N 3.31Å; T519-K521 CarbonylContact O-C 3.55Å; T519-K521 PolarHBondContact O-N 2.85Å; T519-K521 PolarHBondContact OG1-O 2.73Å; K521-R523 VanDerWaalsContact C-N 3.26Å; K521-R523 PolarHBondContact O-N 3.32Å; K521-Y1061 HydrophobicContact CD-CE1 4.4Å; K521-Y1061 VanDerWaalsContact CD-OH 3.24Å; K521-Y1061 WeakPolarHBondContact CD-OH 3.34Å; K521-Y1061 VanDerWaalsContact CG-OH 3.27Å; K521-Y1061 WeakPolarHBondContact CG-OH 3.5Å
522	P	71.7	Confident	61.7	Low	28 Å²	28	62.3 Å²	62.3	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	-33.5	-176.9	21.9	-31.6	0	0	0	110.7	V492 I518 T519 R520 C524 V537 C538	V492-P522 HydrophobicContact CB-CB 4.1Å; V492-P522 HydrophobicContact CB-CG 3.74Å; V492-P522 HydrophobicContact CG1-CB 4.48Å; V492-P522 HydrophobicContact CG1-CG 4.07Å; V492-P522 HydrophobicContact CG2-CB 4.5Å; V492-P522 HydrophobicContact CG2-CG 3.65Å; I518-P522 HydrophobicContact CG2-CB 3.71Å; T519-P522 VanDerWaalsContact O-CA 3.3Å; T519-P522 WeakPolarHBondContact O-CA 3.24Å; R520-P522 WeakPolarHBondContact O-CD 3.17Å; P522-C524 PolarHBondContact O-N 3.21Å; P522-V537 HydrophobicContact CB-CG1 4.15Å; P522-V537 CarbonylContact O-C 3.58Å; P522-V537 VanDerWaalsContact O-CA 3.24Å; P522-V537 WeakPolarHBondContact O-CA 3.33Å; P522-V537 WeakPolarHBondContact O-CG1 3.48Å; P522-C538 PolarHBondContact O-N 3.42Å
523	R	81	Confident	60.4	Low	84 Å²	84	65.6 Å²	65.6	32%	0.317	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	117.3	173.1	-73.9	177.4	166.4	116.3	15.5	111	D490 V492 K521 A526 G536 E589	D490-R523 PolarHBondContact O-NH1 3.21Å; D490-R523 PolarHBondContact O-NH2 2.59Å; V492-R523 HydrophobicContact CG1-CG 4.11Å; K521-R523 VanDerWaalsContact C-N 3.26Å; K521-R523 PolarHBondContact O-N 3.32Å; R523-A526 HydrophobicContact CB-CB 4.31Å; R523-G536 WeakPolarHBondContact CA-O 3.03Å; R523-E589 IonicContact CZ-OE1 2.83Å; R523-E589 VanDerWaalsContact CZ-OE1 3.22Å; R523-E589 IonicContact NE-OE1 3.35Å; R523-E589 PolarHBondContact NE-OE1 2.97Å; R523-E589 IonicContact NH2-OE1 3.97Å; R523-E589 PolarHBondContact NH2-OE1 2.87Å; R523-E589 IonicContact NH2-OE2 3.85Å
524	C	68.2	Low	59.1	Low	7 Å²	7	67.1 Å²	67.1	5%	0.047	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	153	170.6	-48	0	0	0	0	110.8	P522 A526 G536 V537 C538 F586	P522-C524 PolarHBondContact O-N 3.21Å; C524-A526 PolarHBondContact O-N 3.07Å; C524-G536 PolarHBondContact N-O 3.23Å; C524-V537 PolarHBondContact SG-O 2.86Å; C524-C538 HydrophobicContact CB-CB 4.28Å; C524-C538 WeakPolarHBondContact CB-SG 3.44Å; C524-C538 WeakPolarHBondContact SG-CA 3.3Å; C524-C538 WeakPolarHBondContact SG-CB 3.44Å; C524-C538 PolarHBondContact SG-N 2.95Å; C524-C538 CovalentContact SG-SG 2.03Å; C524-C538 PolarHBondContact SG-SG 3.2Å; C524-F586 HydrophobicContact CB-CD2 4.03Å; C524-F586 HydrophobicContact CB-CE2 4.04Å; C524-F586 VanDerWaalsContact SG-CD2 3.51Å
525	L	61.7	Low	58.8	Low	42 Å²	42	68.7 Å²	68.7	22%	0.22	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	13.1	165.1	-52.6	174.1	0	0	0	116.3	W457 A527 Y534 L710	W457-L525 HydrophobicContact CH2-CD1 3.44Å; W457-L525 VanDerWaalsContact CH2-CD1 3.44Å; W457-L525 HydrophobicContact CZ2-CD1 4.07Å; W457-L525 HydrophobicContact CZ3-CD1 3.93Å; L525-A527 PolarHBondContact O-N 3.08Å; L525-Y534 HydrophobicContact CB-CD2 4.35Å; L525-Y534 HydrophobicContact CB-CG 4.34Å; L525-Y534 HydrophobicContact CD1-CD1 4.39Å; L525-Y534 HydrophobicContact CD1-CG 4.47Å; L525-L710 HydrophobicContact CD2-CD1 4.15Å
526	A	52.9	Low	59	Low	71 Å²	71	66.5 Å²	66.5	59%	0.587	36%	0.355	S	S	*	.			trans	-77.5	48.8	-178.8	0	0	0	0	0	113.7	R523 C524	R523-A526 HydrophobicContact CB-CB 4.31Å; C524-A526 PolarHBondContact O-N 3.07Å
527	A	37.3	Very low	59.6	Low	62 Å²	62	66.2 Å²	66.2	51%	0.512	35%	0.354	S	S	.	.	S	Bend	trans	-133	134.4	-176.7	0	0	0	0	0	112.5	L525 S529	L525-A527 PolarHBondContact O-N 3.08Å; A527-S529 PolarHBondContact O-N 2.76Å
528	N	39.7	Very low	60.5	Low	132 Å²	132	64.6 Å²	64.6	71%	0.706	35%	0.346	S	S	*	.	S	Bend	trans	52.2	53.2	169.8	-65.1	15.1	0	0	0	116.4
529	S	38.5	Very low	60.8	Low	79 Å²	79	63.9 Å²	63.9	55%	0.552	34%	0.342	S	S	*	.			trans	-145.6	133	164.7	-71.2	0	0	0	0	110.5	A527 A531	A527-S529 PolarHBondContact O-N 2.76Å; S529-A531 PolarHBondContact O-N 3.17Å
530	K	42.7	Very low	61.1	Low	231 Å²	231	64.9 Å²	64.9	100%	1.004	35%	0.346	S	S	*	.	S	Bend	trans	-68.7	3.7	178.1	-72.7	-169.9	176	-175.6	0	114.3
531	A	39.2	Very low	61.8	Low	49 Å²	49	64 Å²	64	41%	0.405	34%	0.343	S	S	.	.	S	Bend	trans	-138.4	118.6	172.3	0	0	0	0	0	110.1	S529 Q533	S529-A531 PolarHBondContact O-N 3.17Å; A531-Q533 VanDerWaalsContact C-N 3.26Å; A531-Q533 HydrophobicContact CB-CG 4.28Å; A531-Q533 PolarHBondContact O-N 2.62Å
532	P	43.7	Very low	62	Low	116 Å²	116	61.4 Å²	61.4	75%	0.753	33%	0.333	S	S	*	.			trans	-81.6	68	179.4	33.9	-35.6	0	0	0	111.2
533	Q	53.7	Low	61.8	Low	88 Å²	88	66.2 Å²	66.2	41%	0.411	35%	0.351	S	S	.	.			trans	-74.7	-26.5	-178.5	-71.8	-173.4	-12.9	0	0	113.5	A531 R535	A531-Q533 VanDerWaalsContact C-N 3.26Å; A531-Q533 HydrophobicContact CB-CG 4.28Å; A531-Q533 PolarHBondContact O-N 2.62Å; Q533-R535 PolarHBondContact O-N 2.82Å
534	Y	59.2	Low	61.3	Low	66 Å²	66	66 Å²	66	26%	0.259	35%	0.352	S	S	.	.			trans	-78.4	107.6	179.7	-50.9	-76.4	0	0	0	111.2	W457 G458 L525	W457-Y534 HydrophobicContact CD2-CD1 4.03Å; W457-Y534 AromaticContact CD2-CE1 3.83Å; W457-Y534 HydrophobicContact CD2-CE1 3.83Å; W457-Y534 AromaticContact CE3-CD1 3.69Å; W457-Y534 HydrophobicContact CE3-CD1 3.69Å; W457-Y534 HydrophobicContact CE3-CE1 4Å; W457-Y534 HydrophobicContact CG-CE1 4.08Å; W457-Y534 HydrophobicContact CZ3-CD1 4.08Å; G458-Y534 WeakPolarHBondContact CA-OH 3.4Å; G458-Y534 VanDerWaalsContact N-CE1 3.3Å; G458-Y534 PolarHBondContact N-OH 3.29Å; L525-Y534 HydrophobicContact CB-CD2 4.35Å; L525-Y534 HydrophobicContact CB-CG 4.34Å; L525-Y534 HydrophobicContact CD1-CD1 4.39Å; L525-Y534 HydrophobicContact CD1-CG 4.47Å
535	R	72.1	Confident	61.3	Low	97 Å²	97	75.8 Å²	75.8	37%	0.366	39%	0.388	S	S	.	.			trans	-109.9	90.3	176.6	-74.2	-175.3	177.2	-130.4	-6.2	111.4	D490 Q533 E589 N591	D490-R535 IonicContact OD1-CZ 3.58Å; D490-R535 IonicContact OD1-NH1 3.55Å; D490-R535 PolarHBondContact OD1-NH1 3.24Å; D490-R535 IonicContact OD1-NH2 2.69Å; D490-R535 PolarHBondContact OD1-NH2 3Å; Q533-R535 PolarHBondContact O-N 2.82Å; R535-E589 HydrophobicContact CB-CB 4.44Å; R535-E589 HydrophobicContact CB-CG 4.32Å; R535-E589 WeakPolarHBondContact CB-OE2 3.27Å; R535-E589 PolarHBondContact O-N 2.04Å; R535-N591 PolarHBondContact NH1-ND2 3.13Å
536	G	80.7	Confident	62.1	Low	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	148.4	174	0	0	0	0	0	113.4	R523 C524 Y587	R523-G536 WeakPolarHBondContact CA-O 3.03Å; C524-G536 PolarHBondContact N-O 3.23Å; G536-Y587 CarbonylContact C-O 3.47Å; G536-Y587 WeakPolarHBondContact CA-O 3.05Å
537	V	86.8	Confident	63.7	Low	1 Å²	1	76.9 Å²	76.9	1%	0.006	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	143.9	-179.5	-173.9	0	0	0	0	110.5	P493 P522 C524 M554 Y587 E589	P493-V537 HydrophobicContact CG-CG1 4.14Å; P522-V537 HydrophobicContact CB-CG1 4.15Å; P522-V537 CarbonylContact O-C 3.58Å; P522-V537 VanDerWaalsContact O-CA 3.24Å; P522-V537 WeakPolarHBondContact O-CA 3.33Å; P522-V537 WeakPolarHBondContact O-CG1 3.48Å; C524-V537 PolarHBondContact SG-O 2.86Å; V537-M554 HydrophobicContact CB-CE 3.98Å; V537-M554 HydrophobicContact CG1-CE 3.77Å; V537-Y587 PolarHBondContact N-O 3.33Å; V537-Y587 PolarHBondContact O-N 3.05Å; V537-E589 HydrophobicContact CG2-CG 4.12Å
538	C	82.5	Confident	66.1	Low	5 Å²	5	75.2 Å²	75.2	3%	0.034	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.6	-179.7	-89.9	0	0	0	0	111.3	T519 P522 C524 L584 G585	T519-C538 HydrophobicContact CG2-CB 4.04Å; T519-C538 PolarHBondContact N-O 2.74Å; T519-C538 VanDerWaalsContact OG1-CB 3.25Å; T519-C538 WeakPolarHBondContact OG1-CB 3.23Å; T519-C538 PolarHBondContact OG1-O 2.76Å; P522-C538 PolarHBondContact O-N 3.42Å; C524-C538 HydrophobicContact CB-CB 4.28Å; C524-C538 WeakPolarHBondContact CB-SG 3.44Å; C524-C538 WeakPolarHBondContact SG-CA 3.3Å; C524-C538 WeakPolarHBondContact SG-CB 3.44Å; C524-C538 PolarHBondContact SG-N 2.95Å; C524-C538 CovalentContact SG-SG 2.03Å; C524-C538 PolarHBondContact SG-SG 3.2Å; C538-L584 HydrophobicContact CB-CD1 4.13Å; C538-G585 WeakPolarHBondContact CA-O 3.19Å
539	A	80.2	Confident	68.6	Low	0 Å²	0	70 Å²	70	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.6	169.4	0	0	0	0	0	110.1	V516 M517 I518 M554 L584 G585 Y587	V516-A539 HydrophobicContact CB-CB 3.98Å; V516-A539 HydrophobicContact CG2-CB 3.81Å; M517-A539 CarbonylContact O-C 3.47Å; M517-A539 WeakPolarHBondContact O-CA 3.47Å; I518-A539 HydrophobicContact CD1-CB 4.17Å; A539-M554 HydrophobicContact CB-SD 4.44Å; A539-L584 CarbonylContact O-C 3.59Å; A539-L584 WeakPolarHBondContact O-CA 3.07Å; A539-L584 WeakPolarHBondContact O-CB 3.46Å; A539-G585 PolarHBondContact N-O 2.73Å; A539-G585 PolarHBondContact O-N 2.8Å; A539-Y587 HydrophobicContact CB-CE2 4.14Å
540	M	67.3	Low	71.2	Confident	47 Å²	47	68.2 Å²	68.2	23%	0.232	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.2	178.7	-58.8	-170.2	-69.1	0	0	110.1	M517 T519 Q582 L584	M517-M540 HydrophobicContact CB-CE 3.51Å; M517-M540 HydrophobicContact CG-CE 4.41Å; M517-M540 PolarHBondContact O-N 2.69Å; T519-M540 HydrophobicContact CG2-CG 4.04Å; M540-Q582 PolarHBondContact SD-NE2 3.07Å; M540-L584 HydrophobicContact CB-CD2 4.24Å; M540-L584 HydrophobicContact CG-CD2 3.76Å
541	E	73.8	Confident	73.7	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.056	27%	0.267	C	S	.	.			trans	-150.9	135.8	-167.9	-74.9	178.6	-153	0	0	114.8	V516 Q549 Q571 N583 G585 Y587	V516-E541 HydrophobicContact CG1-CG 4.01Å; E541-Q549 PolarHBondContact OE2-NE2 3.34Å; E541-Q571 PolarHBondContact O-NE2 3Å; E541-N583 PolarHBondContact N-O 3.48Å; E541-N583 VanDerWaalsContact N-O 3.12Å; E541-N583 CarbonylContact O-C 3.43Å; E541-N583 WeakPolarHBondContact O-CB 3.45Å; E541-G585 WeakPolarHBondContact OE2-CA 3.39Å; E541-Y587 WeakPolarHBondContact OE1-CE2 3.15Å; E541-Y587 VanDerWaalsContact OE1-CZ 3.23Å; E541-Y587 PolarHBondContact OE1-OH 3.29Å
542	E	68.9	Low	76.3	Confident	72 Å²	72	54.9 Å²	54.9	34%	0.336	25%	0.248	S	C	.	.			trans	-90.1	142.3	179.6	-65.3	-176.7	-173.8	0	0	113.8	K544 R1055	E542-K544 PolarHBondContact O-N 3.2Å; E542-R1055 IonicContact OE1-NH2 2.62Å
543	K	68.2	Low	78.8	Confident	130 Å²	130	49.3 Å²	49.3	57%	0.565	21%	0.212	S	C	*	.			trans	-81.8	77.5	-172	-165.8	-178.9	-152.5	79.7	0	113.5	R545	K543-R545 PolarHBondContact O-N 3.45Å
544	K	70.6	Confident	80.7	Confident	79 Å²	79	45.1 Å²	45.1	34%	0.343	19%	0.193	S	C	.	.			trans	-70.4	90.5	175.2	-63.2	176.5	-170.4	174.9	0	111.3	E514 E542 Q546 Y547	E514-K544 IonicContact OE1-NZ 3.79Å; E514-K544 PolarHBondContact OE1-NZ 3.28Å; E514-K544 IonicContact OE2-NZ 2.78Å; E514-K544 PolarHBondContact OE2-NZ 3.12Å; E542-K544 PolarHBondContact O-N 3.2Å; K544-Q546 PolarHBondContact O-N 2.87Å; K544-Y547 HydrophobicContact CB-CD2 3.7Å; K544-Y547 HydrophobicContact CB-CE2 3.99Å; K544-Y547 HydrophobicContact CB-CG 4.11Å; K544-Y547 HydrophobicContact CD-CD2 3.88Å; K544-Y547 HydrophobicContact CD-CE2 3.39Å; K544-Y547 HydrophobicContact CG-CD2 4.41Å; K544-Y547 HydrophobicContact CG-CE2 4.28Å; K544-Y547 PolarHBondContact O-N 2.6Å
545	R	67.4	Low	82.4	Confident	213 Å²	213	42.1 Å²	42.1	80%	0.804	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-25.8	-174.4	-64.6	-173.4	-175.6	-176.1	4.4	115.1	K506 K543	K506-R545 PolarHBondContact NZ-O 2.88Å; K543-R545 PolarHBondContact O-N 3.45Å
546	Q	79.2	Confident	83.4	Confident	77 Å²	77	37.5 Å²	37.5	36%	0.36	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-21.6	-173.7	-67.1	163.2	49.2	0	0	113.3	K506 R507 K544	K506-Q546 WeakPolarHBondContact CB-O 3.38Å; K506-Q546 WeakPolarHBondContact CD-O 3.43Å; K506-Q546 VanDerWaalsContact CE-O 3.23Å; K506-Q546 WeakPolarHBondContact CE-O 3.2Å; K506-Q546 WeakPolarHBondContact CG-O 3.37Å; K506-Q546 VanDerWaalsContact NZ-C 3.27Å; K506-Q546 PolarHBondContact NZ-O 2.9Å; R507-Q546 VanDerWaalsContact CZ-CD 3.49Å; R507-Q546 VanDerWaalsContact NE-OE1 3.11Å; K544-Q546 PolarHBondContact O-N 2.87Å
547	Y	85.7	Confident	83.8	Confident	59 Å²	59	39 Å²	39	23%	0.231	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	164.3	-171.4	-63.4	-9.3	0	0	0	114.4	Y503 Y504 D505 K506 K544	Y503-Y547 AromaticContact CD1-CD2 3.7Å; Y503-Y547 HydrophobicContact CD1-CD2 3.7Å; Y503-Y547 HydrophobicContact CD1-CG 4.42Å; Y503-Y547 AromaticContact CG-CD2 3.85Å; Y503-Y547 HydrophobicContact CG-CD2 3.85Å; Y503-Y547 HydrophobicContact CG-CE2 4.47Å; Y504-Y547 CarbonylContact O-C 3.56Å; Y504-Y547 VanDerWaalsContact O-CA 3.32Å; Y504-Y547 WeakPolarHBondContact O-CA 3.05Å; D505-Y547 HydrophobicContact CB-CD1 4.02Å; D505-Y547 HydrophobicContact CB-CE1 3.82Å; K506-Y547 WeakPolarHBondContact CE-O 3.29Å; K506-Y547 PolarHBondContact NZ-O 2.73Å; K544-Y547 HydrophobicContact CB-CD2 3.7Å; K544-Y547 HydrophobicContact CB-CE2 3.99Å; K544-Y547 HydrophobicContact CB-CG 4.11Å; K544-Y547 HydrophobicContact CD-CD2 3.88Å; K544-Y547 HydrophobicContact CD-CE2 3.39Å; K544-Y547 HydrophobicContact CG-CD2 4.41Å; K544-Y547 HydrophobicContact CG-CE2 4.28Å; K544-Y547 PolarHBondContact O-N 2.6Å
548	I	88.3	Confident	83.7	Confident	26 Å²	26	40.2 Å²	40.2	13%	0.133	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126	161.6	-53.3	-179.9	0	0	0	107.5	T385 I388 Y504 K506	T385-I548 HydrophobicContact CG2-CD1 3.84Å; I388-I548 WeakPolarHBondContact CD1-O 3.3Å; Y504-I548 HydrophobicContact CD1-CB 4.33Å; Y504-I548 HydrophobicContact CD1-CD1 3.77Å; Y504-I548 HydrophobicContact CD1-CG1 4Å; Y504-I548 HydrophobicContact CE1-CD1 4.24Å; Y504-I548 PolarHBondContact N-O 3.44Å; Y504-I548 PolarHBondContact O-N 2.93Å; K506-I548 HydrophobicContact CD-CG1 4.23Å; K506-I548 HydrophobicContact CG-CD1 4.3Å; K506-I548 HydrophobicContact CG-CG1 4.02Å
549	Q	91.4	Very high	83.6	Confident	23 Å²	23	47.9 Å²	47.9	11%	0.107	22%	0.219	C	C	.	.			trans	-125.7	-7.9	179.4	-165.1	-173.2	0.2	0	0	112.3	V501 Y503 E541 G551 S552 Y568 Y587	V501-Q549 HydrophobicContact CG1-CG 4.24Å; Y503-Q549 HydrophobicContact CD1-CB 3.96Å; Y503-Q549 HydrophobicContact CD1-CG 3.8Å; Y503-Q549 HydrophobicContact CE1-CB 4.13Å; Y503-Q549 HydrophobicContact CE1-CG 3.6Å; Y503-Q549 PolarHBondContact OH-NE2 3.46Å; Y503-Q549 VanDerWaalsContact OH-NE2 3.16Å; E541-Q549 PolarHBondContact OE2-NE2 3.34Å; Q549-G551 PolarHBondContact O-N 3.19Å; Q549-S552 VanDerWaalsContact CA-OG 3.3Å; Q549-S552 WeakPolarHBondContact CA-OG 3.2Å; Q549-S552 VanDerWaalsContact O-CB 3.26Å; Q549-S552 WeakPolarHBondContact O-CB 3.38Å; Q549-S552 PolarHBondContact O-N 2.97Å; Q549-S552 PolarHBondContact O-OG 3Å; Q549-Y568 HydrophobicContact CB-CD1 4.09Å; Q549-Y568 HydrophobicContact CB-CE1 4.1Å; Q549-Y568 HydrophobicContact CB-CG 4.47Å; Q549-Y568 VanDerWaalsContact CD-CD2 3.44Å; Q549-Y568 HydrophobicContact CG-CD1 3.9Å; Q549-Y568 HydrophobicContact CG-CD2 3.95Å; Q549-Y568 HydrophobicContact CG-CE1 4.14Å; Q549-Y568 HydrophobicContact CG-CE2 4.15Å; Q549-Y568 HydrophobicContact CG-CG 3.76Å; Q549-Y568 WeakPolarHBondContact O-CB 3.49Å; Q549-Y568 WeakPolarHBondContact O-CD1 3.44Å; Q549-Y568 VanDerWaalsContact OE1-CE2 3.29Å; Q549-Y568 PolarHBondContact OE1-OH 3.36Å; Q549-Y587 PolarHBondContact NE2-OH 3.3Å; Q549-Y587 VanDerWaalsContact NE2-OH 3.14Å
550	L	93.8	Very high	83.4	Confident	41 Å²	41	51 Å²	51	22%	0.215	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	125.8	-177.6	-173.6	62.1	0	0	0	111.1	C387 I388 A410 D412 S552 L569	C387-L550 VanDerWaalsContact CA-O 3.25Å; C387-L550 WeakPolarHBondContact CA-O 3.42Å; C387-L550 WeakPolarHBondContact CB-O 3.46Å; C387-L550 VanDerWaalsContact SG-CG 3.59Å; C387-L550 PolarHBondContact SG-O 2.83Å; I388-L550 PolarHBondContact N-O 2.66Å; A410-L550 HydrophobicContact CB-CD1 3.75Å; A410-L550 HydrophobicContact CB-CG 4.09Å; D412-L550 HydrophobicContact CB-CD2 4.27Å; L550-S552 VanDerWaalsContact C-N 3.32Å; L550-L569 WeakPolarHBondContact CD1-O 3.27Å
551	G	94.6	Very high	84.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.1	-176.6	0	0	0	0	0	115.5	I388 T409 Q549 Y568	I388-G551 CarbonylContact C-O 3.08Å; I388-G551 CarbonylContact O-C 3.53Å; I388-G551 VanDerWaalsContact O-C 3.27Å; I388-G551 WeakPolarHBondContact O-CA 3.45Å; T409-G551 WeakPolarHBondContact OG1-CA 3.37Å; Q549-G551 PolarHBondContact O-N 3.19Å; G551-Y568 PolarHBondContact N-O 3.1Å
552	S	94.5	Very high	85.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.			trans	-69	144.1	-179.3	-46.9	0	0	0	0	111.8	I388 T502 Q549 L550 Y568	I388-S552 WeakPolarHBondContact CD1-OG 3.13Å; T502-S552 WeakPolarHBondContact O-CB 3.36Å; T502-S552 PolarHBondContact O-OG 3.42Å; Q549-S552 VanDerWaalsContact CA-OG 3.3Å; Q549-S552 WeakPolarHBondContact CA-OG 3.2Å; Q549-S552 VanDerWaalsContact O-CB 3.26Å; Q549-S552 WeakPolarHBondContact O-CB 3.38Å; Q549-S552 PolarHBondContact O-N 2.97Å; Q549-S552 PolarHBondContact O-OG 3Å; L550-S552 VanDerWaalsContact C-N 3.32Å; S552-Y568 PolarHBondContact O-N 3.04Å
553	P	96	Very high	86.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.3	173.8	33.4	-35.5	0	0	0	110.6	N374 V555 L564	N374-P553 WeakPolarHBondContact OD1-CG 3.39Å; P553-V555 HydrophobicContact CB-CG1 3.83Å; P553-V555 HydrophobicContact CG-CG1 4.27Å; P553-L564 HydrophobicContact CB-CD1 3.42Å; P553-L564 VanDerWaalsContact CB-CD1 3.42Å
554	M	94.5	Very high	87.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	107.8	154	178.1	-176.9	71.5	0	0	107	P493 C499 V501 V516 I518 V537 A539 Y565 G566 Y587	P493-M554 HydrophobicContact CG-CE 3.83Å; C499-M554 HydrophobicContact CB-CG 4.5Å; V501-M554 HydrophobicContact CG2-CB 4.05Å; V501-M554 HydrophobicContact CG2-CG 4.13Å; V516-M554 HydrophobicContact CG2-CG 4.45Å; I518-M554 HydrophobicContact CD1-CE 4.33Å; I518-M554 HydrophobicContact CD1-SD 3.57Å; I518-M554 VanDerWaalsContact CD1-SD 3.57Å; V537-M554 HydrophobicContact CB-CE 3.98Å; V537-M554 HydrophobicContact CG1-CE 3.77Å; A539-M554 HydrophobicContact CB-SD 4.44Å; M554-Y565 PolarHBondContact O-N 2.93Å; M554-Y565 VanDerWaalsContact O-N 3.17Å; M554-G566 PolarHBondContact N-O 2.92Å; M554-Y587 HydrophobicContact CB-CD1 3.48Å; M554-Y587 VanDerWaalsContact CB-CD1 3.48Å; M554-Y587 HydrophobicContact CB-CE1 3.47Å; M554-Y587 VanDerWaalsContact CB-CE1 3.47Å; M554-Y587 HydrophobicContact CB-CG 4.09Å; M554-Y587 HydrophobicContact CE-CG 4.29Å; M554-Y587 HydrophobicContact CG-CE1 4.47Å; M554-Y587 HydrophobicContact SD-CD1 4.44Å; M554-Y587 HydrophobicContact SD-CD2 3.94Å; M554-Y587 HydrophobicContact SD-CE2 4.15Å; M554-Y587 HydrophobicContact SD-CG 4.12Å
555	V	94.7	Very high	88.9	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140	178.3	-57.2	0	0	0	0	109.5	F371 V484 C499 Y500 P553 V562 Y563 L564	F371-V555 HydrophobicContact CD2-CG2 4.42Å; F371-V555 HydrophobicContact CE2-CG2 3.99Å; V484-V555 HydrophobicContact CG2-CG1 4.08Å; C499-V555 CarbonylContact C-O 3.42Å; C499-V555 VanDerWaalsContact CA-O 3.32Å; C499-V555 WeakPolarHBondContact CA-O 3.24Å; Y500-V555 PolarHBondContact N-O 2.97Å; Y500-V555 PolarHBondContact O-N 3.41Å; P553-V555 HydrophobicContact CB-CG1 3.83Å; P553-V555 HydrophobicContact CG-CG1 4.27Å; V555-V562 HydrophobicContact CB-CG1 3.52Å; V555-V562 HydrophobicContact CG1-CG1 4.23Å; V555-V562 HydrophobicContact CG2-CG1 3.79Å; V555-Y563 CarbonylContact C-O 3.27Å; V555-Y563 VanDerWaalsContact CA-O 3.32Å; V555-Y563 WeakPolarHBondContact CA-O 3.06Å; V555-L564 HydrophobicContact CG1-CD1 4.45Å
556	C	92.3	Very high	90.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.3	176.9	-52.4	0	0	0	0	110.4	A497 S498 C499 Y563 Y565	A497-C556 HydrophobicContact CB-CB 4.02Å; S498-C556 WeakPolarHBondContact O-CA 3.45Å; C499-C556 HydrophobicContact CB-CB 4.09Å; C499-C556 WeakPolarHBondContact CB-SG 3.34Å; C499-C556 WeakPolarHBondContact SG-CB 3.26Å; C499-C556 CovalentContact SG-SG 2.04Å; C499-C556 PolarHBondContact SG-SG 3.01Å; C556-Y563 PolarHBondContact N-O 2.77Å; C556-Y563 PolarHBondContact O-N 2.98Å; C556-Y565 HydrophobicContact CB-CD2 3.78Å; C556-Y565 HydrophobicContact CB-CE2 3.83Å
557	L	88.7	Confident	90.9	Very high	33 Å²	33	25.7 Å²	25.7	17%	0.173	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	117.5	173.5	-175.3	68.3	0	0	0	109	V358 E359 A497 S498 V562	V358-L557 HydrophobicContact CB-CD1 4.48Å; V358-L557 HydrophobicContact CG2-CD1 4.18Å; E359-L557 VanDerWaalsContact OE1-CD2 3.23Å; E359-L557 WeakPolarHBondContact OE1-CD2 3.44Å; A497-L557 WeakPolarHBondContact CB-O 3.5Å; S498-L557 PolarHBondContact O-N 3.02Å; L557-V562 HydrophobicContact CD1-CG2 4.03Å
558	V	85.7	Confident	91.3	Very high	26 Å²	26	23.9 Å²	23.9	16%	0.158	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.9	178.1	-174.2	0	0	0	0	107.8	P494 A497 G560 R561 Y563 Y565	P494-V558 HydrophobicContact CG-CG1 4.38Å; P494-V558 HydrophobicContact CG-CG2 4.14Å; A497-V558 HydrophobicContact CB-CG2 3.95Å; V558-G560 VanDerWaalsContact C-N 3.29Å; V558-G560 PolarHBondContact O-N 3.25Å; V558-R561 PolarHBondContact N-O 2.8Å; V558-R561 PolarHBondContact O-N 2.97Å; V558-R561 VanDerWaalsContact O-O 3.05Å; V558-Y563 HydrophobicContact CB-CD2 3.91Å; V558-Y563 HydrophobicContact CB-CE2 4.04Å; V558-Y563 HydrophobicContact CG2-CD2 4.26Å; V558-Y565 HydrophobicContact CG2-CE2 4.22Å
559	N	80	Confident	91.4	Very high	165 Å²	165	23.9 Å²	23.9	88%	0.882	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.4	179.1	-55.2	-8.6	0	0	0	113.2	R561	N559-R561 VanDerWaalsContact C-N 3.27Å; N559-R561 PolarHBondContact O-N 2.7Å
560	G	76.2	Confident	91.1	Very high	65 Å²	65	26.3 Å²	26.3	67%	0.67	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	2.9	-180	0	0	0	0	0	115.7	V558	V558-G560 VanDerWaalsContact C-N 3.29Å; V558-G560 PolarHBondContact O-N 3.25Å
561	R	87.2	Confident	90.5	Very high	46 Å²	46	25.1 Å²	25.1	17%	0.174	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.5	-179.8	-174.3	160.2	-69.7	-170.4	-3.1	112	C348 D350 Y397 V558 N559 Y563	C348-R561 WeakPolarHBondContact O-CD 3.45Å; D350-R561 IonicContact OD2-NH2 3.67Å; Y397-R561 PolarHBondContact O-NH1 3.11Å; V558-R561 PolarHBondContact N-O 2.8Å; V558-R561 PolarHBondContact O-N 2.97Å; V558-R561 VanDerWaalsContact O-O 3.05Å; N559-R561 VanDerWaalsContact C-N 3.27Å; N559-R561 PolarHBondContact O-N 2.7Å; R561-Y563 HydrophobicContact CB-CE2 3.82Å; R561-Y563 HydrophobicContact CG-CE2 3.98Å; R561-Y563 WeakPolarHBondContact O-CD2 3.46Å; R561-Y563 WeakPolarHBondContact O-CE2 3.5Å
562	V	92.6	Very high	89.7	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.5	-172.9	-174.4	0	0	0	0	112.1	G349 V358 W373 V484 C485 V555 L557	G349-V562 WeakPolarHBondContact CA-O 3.34Å; G349-V562 PolarHBondContact O-N 3.45Å; V358-V562 HydrophobicContact CB-CG2 4.25Å; V358-V562 HydrophobicContact CG1-CG2 3.69Å; V358-V562 HydrophobicContact CG2-CG2 3.51Å; W373-V562 HydrophobicContact CH2-CB 3.86Å; W373-V562 HydrophobicContact CH2-CG1 3.88Å; W373-V562 HydrophobicContact CH2-CG2 3.82Å; W373-V562 HydrophobicContact CZ2-CB 4.18Å; W373-V562 HydrophobicContact CZ2-CG1 3.66Å; W373-V562 HydrophobicContact CZ2-CG2 4.3Å; W373-V562 HydrophobicContact CZ3-CB 4.46Å; V484-V562 HydrophobicContact CG2-CB 4.46Å; V484-V562 HydrophobicContact CG2-CG1 3.98Å; V484-V562 WeakPolarHBondContact CG2-O 3.1Å; C485-V562 PolarHBondContact N-O 3.2Å; V555-V562 HydrophobicContact CB-CG1 3.52Å; V555-V562 HydrophobicContact CG1-CG1 4.23Å; V555-V562 HydrophobicContact CG2-CG1 3.79Å; L557-V562 HydrophobicContact CD1-CG2 4.03Å
563	Y	94.8	Very high	88.4	Confident	32 Å²	32	29 Å²	29	13%	0.125	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.1	-178	-62.2	-90.8	0	0	0	112.1	C485 V555 C556 V558 R561 Y565	C485-Y563 HydrophobicContact CB-CD1 3.58Å; C485-Y563 HydrophobicContact CB-CE1 3.81Å; C485-Y563 HydrophobicContact CB-CG 4.38Å; V555-Y563 CarbonylContact C-O 3.27Å; V555-Y563 VanDerWaalsContact CA-O 3.32Å; V555-Y563 WeakPolarHBondContact CA-O 3.06Å; C556-Y563 PolarHBondContact N-O 2.77Å; C556-Y563 PolarHBondContact O-N 2.98Å; V558-Y563 HydrophobicContact CB-CD2 3.91Å; V558-Y563 HydrophobicContact CB-CE2 4.04Å; V558-Y563 HydrophobicContact CG2-CD2 4.26Å; R561-Y563 HydrophobicContact CB-CE2 3.82Å; R561-Y563 HydrophobicContact CG-CE2 3.98Å; R561-Y563 WeakPolarHBondContact O-CD2 3.46Å; R561-Y563 WeakPolarHBondContact O-CE2 3.5Å; Y563-Y565 PolarHBondContact O-N 2.76Å
564	L	95.7	Very high	86.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	108	171.7	176.9	64.3	0	0	0	110	S390 V392 V484 C485 L486 A487 P553 V555 G566 I590	S390-L564 WeakPolarHBondContact OG-CD2 3.3Å; V392-L564 HydrophobicContact CG1-CD2 3.7Å; V484-L564 HydrophobicContact CG1-CB 3.81Å; V484-L564 HydrophobicContact CG1-CD2 4.19Å; V484-L564 HydrophobicContact CG2-CB 4.25Å; C485-L564 WeakPolarHBondContact O-CB 3.33Å; C485-L564 PolarHBondContact O-N 3.02Å; L486-L564 HydrophobicContact CD2-CD2 4.31Å; A487-L564 WeakPolarHBondContact CB-O 3.15Å; A487-L564 PolarHBondContact N-O 2.97Å; P553-L564 HydrophobicContact CB-CD1 3.42Å; P553-L564 VanDerWaalsContact CB-CD1 3.42Å; V555-L564 HydrophobicContact CG1-CD1 4.45Å; L564-G566 WeakPolarHBondContact CD1-O 3.36Å; L564-I590 HydrophobicContact CD2-CD1 3.63Å; L564-I590 HydrophobicContact CD2-CG1 4.41Å; L564-I590 HydrophobicContact CG-CD1 3.97Å; L564-I590 HydrophobicContact CG-CG1 4.39Å
565	Y	93.9	Very high	85.1	Confident	20 Å²	20	37.7 Å²	37.7	8%	0.078	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-31	177.8	-82.2	-85.4	0	0	0	113.1	A487 S491 V492 P493 P494 M554 C556 V558 Y563 I590	A487-Y565 HydrophobicContact CB-CD1 3.4Å; A487-Y565 VanDerWaalsContact CB-CD1 3.4Å; A487-Y565 HydrophobicContact CB-CD2 3.98Å; A487-Y565 HydrophobicContact CB-CE1 3.44Å; A487-Y565 VanDerWaalsContact CB-CE1 3.44Å; A487-Y565 HydrophobicContact CB-CE2 4Å; A487-Y565 HydrophobicContact CB-CG 3.68Å; S491-Y565 WeakPolarHBondContact OG-CE1 3.32Å; V492-Y565 VanDerWaalsContact O-CE1 3.3Å; V492-Y565 WeakPolarHBondContact O-CE1 3.16Å; P493-Y565 HydrophobicContact CB-CD2 4.5Å; P493-Y565 HydrophobicContact CB-CG 4.42Å; P493-Y565 HydrophobicContact CG-CD1 3.89Å; P493-Y565 HydrophobicContact CG-CD2 4.15Å; P493-Y565 HydrophobicContact CG-CG 3.68Å; P494-Y565 WeakPolarHBondContact CD-OH 3.46Å; M554-Y565 PolarHBondContact O-N 2.93Å; M554-Y565 VanDerWaalsContact O-N 3.17Å; C556-Y565 HydrophobicContact CB-CD2 3.78Å; C556-Y565 HydrophobicContact CB-CE2 3.83Å; V558-Y565 HydrophobicContact CG2-CE2 4.22Å; Y563-Y565 PolarHBondContact O-N 2.76Å; Y565-I590 PolarHBondContact O-N 3Å; Y565-I590 VanDerWaalsContact O-N 3.14Å
566	G	92.9	Very high	82.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	173.8	178.9	0	0	0	0	0	114.6	M554 L564 G588	M554-G566 PolarHBondContact N-O 2.92Å; L564-G566 WeakPolarHBondContact CD1-O 3.36Å; G566-G588 CarbonylContact C-O 3.59Å; G566-G588 WeakPolarHBondContact CA-O 3.37Å
567	V	95	Very high	80.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.3	-172.2	-178.6	0	0	0	0	109.7	I408 I466 L569 Y587 G588	I408-V567 HydrophobicContact CG2-CG2 3.76Å; I466-V567 HydrophobicContact CG2-CB 4.02Å; I466-V567 HydrophobicContact CG2-CG2 4.01Å; V567-L569 HydrophobicContact CG1-CD2 4.46Å; V567-L569 WeakPolarHBondContact O-CG 3.43Å; V567-L569 PolarHBondContact O-N 2.92Å; V567-Y587 CarbonylContact O-C 2.83Å; V567-Y587 VanDerWaalsContact O-CA 3.29Å; V567-Y587 WeakPolarHBondContact O-CA 3.45Å; V567-G588 PolarHBondContact N-O 3.25Å; V567-G588 PolarHBondContact O-N 2.91Å
568	Y	94	Very high	78.7	Confident	21 Å²	21	48.2 Å²	48.2	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	120.5	-176.6	-174.7	-89.2	0	0	0	111.7	Q549 G551 S552 N570 Q571 Y587	Q549-Y568 HydrophobicContact CB-CD1 4.09Å; Q549-Y568 HydrophobicContact CB-CE1 4.1Å; Q549-Y568 HydrophobicContact CB-CG 4.47Å; Q549-Y568 VanDerWaalsContact CD-CD2 3.44Å; Q549-Y568 HydrophobicContact CG-CD1 3.9Å; Q549-Y568 HydrophobicContact CG-CD2 3.95Å; Q549-Y568 HydrophobicContact CG-CE1 4.14Å; Q549-Y568 HydrophobicContact CG-CE2 4.15Å; Q549-Y568 HydrophobicContact CG-CG 3.76Å; Q549-Y568 WeakPolarHBondContact O-CB 3.49Å; Q549-Y568 WeakPolarHBondContact O-CD1 3.44Å; Q549-Y568 VanDerWaalsContact OE1-CE2 3.29Å; Q549-Y568 PolarHBondContact OE1-OH 3.36Å; G551-Y568 PolarHBondContact N-O 3.1Å; S552-Y568 PolarHBondContact O-N 3.04Å; Y568-N570 WeakPolarHBondContact CE2-O 3.45Å; Y568-N570 VanDerWaalsContact CZ-C 3.44Å; Y568-Q571 WeakPolarHBondContact OH-CB 3.25Å; Y568-Q571 PolarHBondContact OH-N 2.95Å; Y568-Y587 AromaticContact CD2-CE1 3.97Å; Y568-Y587 HydrophobicContact CD2-CE1 3.97Å; Y568-Y587 HydrophobicContact CD2-CE2 4.14Å; Y568-Y587 AromaticContact CD2-CZ 3.63Å; Y568-Y587 WeakPolarHBondContact CD2-OH 3.17Å; Y568-Y587 HydrophobicContact CG-CE1 4.27Å; Y568-Y587 VanDerWaalsContact N-CD1 3.31Å
569	L	90.6	Very high	76.5	Confident	25 Å²	25	52.7 Å²	52.7	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-37.9	178.5	-53.5	-175.7	0	0	0	112.6	A410 L455 G465 L550 V567 F586	A410-L569 HydrophobicContact CB-CD2 3.56Å; L455-L569 HydrophobicContact CD1-CD1 3.47Å; L455-L569 VanDerWaalsContact CD1-CD1 3.47Å; G465-L569 WeakPolarHBondContact O-CD2 3.21Å; L550-L569 WeakPolarHBondContact CD1-O 3.27Å; V567-L569 HydrophobicContact CG1-CD2 4.46Å; V567-L569 WeakPolarHBondContact O-CG 3.43Å; V567-L569 PolarHBondContact O-N 2.92Å; L569-F586 HydrophobicContact CB-CD1 4.24Å; L569-F586 HydrophobicContact CD1-CE1 4.19Å; L569-F586 PolarHBondContact N-O 2.95Å
570	N	85.6	Confident	74.7	Confident	74 Å²	74	47.8 Å²	47.8	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	169.7	-176.5	-165.3	18.5	0	0	0	111.9	Y568 F586	Y568-N570 WeakPolarHBondContact CE2-O 3.45Å; Y568-N570 VanDerWaalsContact CZ-C 3.44Å; N570-F586 WeakPolarHBondContact O-CB 3.47Å; N570-F586 PolarHBondContact O-N 2.87Å
571	Q	81.8	Confident	73.9	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.2	164.5	-148.6	173.3	21.1	0	0	110.1	E541 Y568 N583 L584	E541-Q571 PolarHBondContact O-NE2 3Å; Y568-Q571 WeakPolarHBondContact OH-CB 3.25Å; Y568-Q571 PolarHBondContact OH-N 2.95Å; Q571-N583 HydrophobicContact CG-CB 4.47Å; Q571-L584 CarbonylContact C-O 3.49Å; Q571-L584 WeakPolarHBondContact CA-O 3.17Å; Q571-L584 WeakPolarHBondContact CG-O 3.28Å
572	L	76.6	Confident	72.6	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.2	167	-59.3	175.3	0	0	0	109.1	N583 L584 F586	L572-N583 WeakPolarHBondContact O-CA 3.38Å; L572-L584 PolarHBondContact N-O 3.11Å; L572-L584 PolarHBondContact O-N 2.63Å; L572-F586 HydrophobicContact CD1-CB 4.1Å; L572-F586 HydrophobicContact CD1-CD2 3.92Å; L572-F586 HydrophobicContact CD1-CG 4.33Å; L572-F586 HydrophobicContact CG-CB 4.04Å
573	S	67.8	Low	71.6	Confident	57 Å²	57	52.9 Å²	52.9	40%	0.399	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	109.3	169.5	-58.1	0	0	0	0	108	Q582 N583	S573-Q582 CarbonylContact C-O 3.51Å; S573-Q582 WeakPolarHBondContact CA-O 3.33Å; S573-N583 PolarHBondContact OG-OD1 2.94Å
574	L	62	Low	70.6	Confident	37 Å²	37	51.6 Å²	51.6	19%	0.194	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.1	172.1	-47.4	-166.8	0	0	0	107.9	K581 Q582 L584 L710	L574-K581 CarbonylContact O-C 3.53Å; L574-K581 VanDerWaalsContact O-CA 3.31Å; L574-K581 WeakPolarHBondContact O-CA 3.43Å; L574-Q582 PolarHBondContact N-O 2.93Å; L574-Q582 PolarHBondContact O-N 3.03Å; L574-L584 HydrophobicContact CD1-CD1 3.6Å; L574-L584 HydrophobicContact CD1-CG 4.29Å; L574-L584 HydrophobicContact CD2-CD1 4.15Å; L574-L584 HydrophobicContact CG-CD1 3.85Å; L574-L584 HydrophobicContact CG-CG 4.19Å; L574-L710 HydrophobicContact CB-CD2 4.49Å; L574-L710 HydrophobicContact CD1-CD2 4.47Å; L574-L710 HydrophobicContact CD2-CD2 3.82Å; L574-L710 HydrophobicContact CG-CD2 4.48Å
575	K	58.5	Low	70.1	Confident	144 Å²	144	51.6 Å²	51.6	63%	0.626	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.6	159.6	-68.9	-170.6	171.9	-159.6	0	106.9
576	I	48.1	Very low	69.8	Low	53 Å²	53	51.2 Å²	51.2	27%	0.272	26%	0.263	S	S	.	.	S	Bend	trans	-93.2	-42.4	174.6	-49.6	176.5	0	0	0	108.9	V580 Q582 E1059	I576-V580 HydrophobicContact CD1-CG1 4.46Å; I576-V580 PolarHBondContact N-O 2.93Å; I576-Q582 HydrophobicContact CD1-CB 3.77Å; I576-Q582 HydrophobicContact CG1-CB 4.38Å; I576-E1059 HydrophobicContact CD1-CB 4.37Å; I576-E1059 VanDerWaalsContact CD1-OE2 3.24Å; I576-E1059 WeakPolarHBondContact CD1-OE2 3.21Å; I576-E1059 HydrophobicContact CG2-CB 4.14Å; I576-E1059 HydrophobicContact CG2-CG 3.78Å; I576-E1059 VanDerWaalsContact CG2-OE1 3.31Å; I576-E1059 WeakPolarHBondContact CG2-OE1 3.26Å
577	N	44.6	Very low	69.7	Low	66 Å²	66	51.2 Å²	51.2	35%	0.353	26%	0.263	S	S	.	.	S	Bend	trans	-137.3	-164.6	167.2	60.9	63.8	0	0	0	110.1	N579 V580 E1059	N577-N579 VanDerWaalsContact C-N 3.31Å; N577-N579 PolarHBondContact OD1-N 3.16Å; N577-V580 WeakPolarHBondContact ND2-CB 3.33Å; N577-V580 WeakPolarHBondContact ND2-CG2 3.31Å; N577-V580 PolarHBondContact OD1-N 3.22Å; N577-E1059 PolarHBondContact ND2-OE1 2.83Å; N577-E1059 VanDerWaalsContact ND2-OE1 3.16Å
578	N	48.4	Very low	69.4	Low	137 Å²	137	51.2 Å²	51.2	73%	0.733	26%	0.263	S	S	*	.	S	Bend	trans	-68.4	-31.2	179.9	-80	-25.1	0	0	0	113
579	N	41	Very low	69.1	Low	121 Å²	121	50.3 Å²	50.3	65%	0.647	26%	0.259	S	S	*	.	S	Bend	trans	-96.2	-51.1	-171.5	-57.4	-3.6	0	0	0	109.6	N577 K581	N577-N579 VanDerWaalsContact C-N 3.31Å; N577-N579 PolarHBondContact OD1-N 3.16Å; N579-K581 PolarHBondContact O-NZ 2.69Å; N579-K581 VanDerWaalsContact O-NZ 3.16Å
580	V	40.7	Very low	69.1	Low	62 Å²	62	49.5 Å²	49.5	38%	0.376	26%	0.255	S	S	.	.			trans	-81.9	130.2	-174.3	-176.5	0	0	0	0	112.6	I576 N577	I576-V580 HydrophobicContact CD1-CG1 4.46Å; I576-V580 PolarHBondContact N-O 2.93Å; N577-V580 WeakPolarHBondContact ND2-CB 3.33Å; N577-V580 WeakPolarHBondContact ND2-CG2 3.31Å; N577-V580 PolarHBondContact OD1-N 3.22Å
581	K	59.6	Low	69.2	Low	114 Å²	114	46.1 Å²	46.1	50%	0.496	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	104.6	178.7	-56.4	174.5	-159.3	70.8	0	110.1	L574 N579	L574-K581 CarbonylContact O-C 3.53Å; L574-K581 VanDerWaalsContact O-CA 3.31Å; L574-K581 WeakPolarHBondContact O-CA 3.43Å; N579-K581 PolarHBondContact O-NZ 2.69Å; N579-K581 VanDerWaalsContact O-NZ 3.16Å
582	Q	59.7	Low	69.3	Low	58 Å²	58	46.2 Å²	46.2	27%	0.271	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.2	175.1	-171	-179.5	50.3	0	0	110.1	M540 S573 L574 I576 L584	M540-Q582 PolarHBondContact SD-NE2 3.07Å; S573-Q582 CarbonylContact C-O 3.51Å; S573-Q582 WeakPolarHBondContact CA-O 3.33Å; L574-Q582 PolarHBondContact N-O 2.93Å; L574-Q582 PolarHBondContact O-N 3.03Å; I576-Q582 HydrophobicContact CD1-CB 3.77Å; I576-Q582 HydrophobicContact CG1-CB 4.38Å; Q582-L584 HydrophobicContact CG-CD2 4.21Å
583	N	71.6	Confident	69.9	Low	48 Å²	48	45 Å²	45	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.7	175.2	-64.3	-71.4	0	0	0	110	E541 Q571 L572 S573	E541-N583 PolarHBondContact N-O 3.48Å; E541-N583 VanDerWaalsContact N-O 3.12Å; E541-N583 CarbonylContact O-C 3.43Å; E541-N583 WeakPolarHBondContact O-CB 3.45Å; Q571-N583 HydrophobicContact CG-CB 4.47Å; L572-N583 WeakPolarHBondContact O-CA 3.38Å; S573-N583 PolarHBondContact OG-OD1 2.94Å
584	L	74.6	Confident	71	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.3	179	-58.1	-176.3	0	0	0	110.6	T519 C538 A539 M540 Q571 L572 L574 Q582	T519-L584 HydrophobicContact CG2-CD1 4.26Å; T519-L584 HydrophobicContact CG2-CD2 4.01Å; C538-L584 HydrophobicContact CB-CD1 4.13Å; A539-L584 CarbonylContact O-C 3.59Å; A539-L584 WeakPolarHBondContact O-CA 3.07Å; A539-L584 WeakPolarHBondContact O-CB 3.46Å; M540-L584 HydrophobicContact CB-CD2 4.24Å; M540-L584 HydrophobicContact CG-CD2 3.76Å; Q571-L584 CarbonylContact C-O 3.49Å; Q571-L584 WeakPolarHBondContact CA-O 3.17Å; Q571-L584 WeakPolarHBondContact CG-O 3.28Å; L572-L584 PolarHBondContact N-O 3.11Å; L572-L584 PolarHBondContact O-N 2.63Å; L574-L584 HydrophobicContact CD1-CD1 3.6Å; L574-L584 HydrophobicContact CD1-CG 4.29Å; L574-L584 HydrophobicContact CD2-CD1 4.15Å; L574-L584 HydrophobicContact CG-CD1 3.85Å; L574-L584 HydrophobicContact CG-CG 4.19Å; Q582-L584 HydrophobicContact CG-CD2 4.21Å
585	G	84.2	Confident	72.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.9	163.4	0	0	0	0	0	110.7	C538 A539 E541	C538-G585 WeakPolarHBondContact CA-O 3.19Å; A539-G585 PolarHBondContact N-O 2.73Å; A539-G585 PolarHBondContact O-N 2.8Å; E541-G585 WeakPolarHBondContact OE2-CA 3.39Å
586	F	88.4	Confident	73.4	Confident	11 Å²	11	38.2 Å²	38.2	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.7	175.8	177.5	-94.7	0	0	0	110.4	W457 C524 L569 N570 L572	W457-F586 HydrophobicContact CZ3-CE1 4.36Å; W457-F586 HydrophobicContact CZ3-CE2 4.3Å; W457-F586 AromaticContact CZ3-CZ 3.89Å; W457-F586 HydrophobicContact CZ3-CZ 3.89Å; C524-F586 HydrophobicContact CB-CD2 4.03Å; C524-F586 HydrophobicContact CB-CE2 4.04Å; C524-F586 VanDerWaalsContact SG-CD2 3.51Å; L569-F586 HydrophobicContact CB-CD1 4.24Å; L569-F586 HydrophobicContact CD1-CE1 4.19Å; L569-F586 PolarHBondContact N-O 2.95Å; N570-F586 WeakPolarHBondContact O-CB 3.47Å; N570-F586 PolarHBondContact O-N 2.87Å; L572-F586 HydrophobicContact CD1-CB 4.1Å; L572-F586 HydrophobicContact CD1-CD2 3.92Å; L572-F586 HydrophobicContact CD1-CG 4.33Å; L572-F586 HydrophobicContact CG-CB 4.04Å
587	Y	91.1	Very high	75.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.8	-177	-66.4	-91	0	0	0	110.5	V501 G536 V537 A539 E541 Q549 M554 V567 Y568 E589	V501-Y587 VanDerWaalsContact CG1-OH 3.31Å; V501-Y587 WeakPolarHBondContact CG1-OH 3.42Å; V501-Y587 HydrophobicContact CG2-CE1 4.23Å; V501-Y587 WeakPolarHBondContact CG2-OH 3.47Å; G536-Y587 CarbonylContact C-O 3.47Å; G536-Y587 WeakPolarHBondContact CA-O 3.05Å; V537-Y587 PolarHBondContact N-O 3.33Å; V537-Y587 PolarHBondContact O-N 3.05Å; A539-Y587 HydrophobicContact CB-CE2 4.14Å; E541-Y587 WeakPolarHBondContact OE1-CE2 3.15Å; E541-Y587 VanDerWaalsContact OE1-CZ 3.23Å; E541-Y587 PolarHBondContact OE1-OH 3.29Å; Q549-Y587 PolarHBondContact NE2-OH 3.3Å; Q549-Y587 VanDerWaalsContact NE2-OH 3.14Å; M554-Y587 HydrophobicContact CB-CD1 3.48Å; M554-Y587 VanDerWaalsContact CB-CD1 3.48Å; M554-Y587 HydrophobicContact CB-CE1 3.47Å; M554-Y587 VanDerWaalsContact CB-CE1 3.47Å; M554-Y587 HydrophobicContact CB-CG 4.09Å; M554-Y587 HydrophobicContact CE-CG 4.29Å; M554-Y587 HydrophobicContact CG-CE1 4.47Å; M554-Y587 HydrophobicContact SD-CD1 4.44Å; M554-Y587 HydrophobicContact SD-CD2 3.94Å; M554-Y587 HydrophobicContact SD-CE2 4.15Å; M554-Y587 HydrophobicContact SD-CG 4.12Å; V567-Y587 CarbonylContact O-C 2.83Å; V567-Y587 VanDerWaalsContact O-CA 3.29Å; V567-Y587 WeakPolarHBondContact O-CA 3.45Å; Y568-Y587 AromaticContact CD2-CE1 3.97Å; Y568-Y587 HydrophobicContact CD2-CE1 3.97Å; Y568-Y587 HydrophobicContact CD2-CE2 4.14Å; Y568-Y587 AromaticContact CD2-CZ 3.63Å; Y568-Y587 WeakPolarHBondContact CD2-OH 3.17Å; Y568-Y587 HydrophobicContact CG-CE1 4.27Å; Y568-Y587 VanDerWaalsContact N-CD1 3.31Å; Y587-E589 PolarHBondContact O-N 2.88Å
588	G	88.8	Confident	77.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.2	168.8	0	0	0	0	0	109.9	G566 V567	G566-G588 CarbonylContact C-O 3.59Å; G566-G588 WeakPolarHBondContact CA-O 3.37Å; V567-G588 PolarHBondContact N-O 3.25Å; V567-G588 PolarHBondContact O-N 2.91Å
589	E	87.4	Confident	78.9	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	142.1	179.5	-76.6	-175	167.7	0	0	112.1	R523 R535 V537 Y587 N591	R523-E589 IonicContact CZ-OE1 2.83Å; R523-E589 VanDerWaalsContact CZ-OE1 3.22Å; R523-E589 IonicContact NE-OE1 3.35Å; R523-E589 PolarHBondContact NE-OE1 2.97Å; R523-E589 IonicContact NH2-OE1 3.97Å; R523-E589 PolarHBondContact NH2-OE1 2.87Å; R523-E589 IonicContact NH2-OE2 3.85Å; R535-E589 HydrophobicContact CB-CB 4.44Å; R535-E589 HydrophobicContact CB-CG 4.32Å; R535-E589 WeakPolarHBondContact CB-OE2 3.27Å; R535-E589 PolarHBondContact O-N 2.04Å; V537-E589 HydrophobicContact CG2-CG 4.12Å; Y587-E589 PolarHBondContact O-N 2.88Å; E589-N591 HydrophobicContact CB-CB 4.1Å; E589-N591 PolarHBondContact O-N 2.94Å; E589-N591 PolarHBondContact OE2-ND2 3.48Å
590	I	90.9	Very high	80.7	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.036	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.6	177.5	-155.3	58	0	0	0	114	I408 L486 A487 L564 Y565 V592 A593 H594	I408-I590 HydrophobicContact CD1-CD1 3.81Å; L486-I590 HydrophobicContact CB-CG1 4.3Å; L486-I590 HydrophobicContact CD2-CD1 3.86Å; L486-I590 HydrophobicContact CD2-CG1 3.68Å; A487-I590 HydrophobicContact CB-CG2 4.23Å; L564-I590 HydrophobicContact CD2-CD1 3.63Å; L564-I590 HydrophobicContact CD2-CG1 4.41Å; L564-I590 HydrophobicContact CG-CD1 3.97Å; L564-I590 HydrophobicContact CG-CG1 4.39Å; Y565-I590 PolarHBondContact O-N 3Å; Y565-I590 VanDerWaalsContact O-N 3.14Å; I590-V592 PolarHBondContact O-N 3.34Å; I590-V592 VanDerWaalsContact O-N 3.11Å; I590-A593 HydrophobicContact CD1-CB 3.99Å; I590-A593 HydrophobicContact CG1-CB 4.31Å; I590-A593 WeakPolarHBondContact O-CA 3.21Å; I590-A593 VanDerWaalsContact O-CB 3.31Å; I590-A593 WeakPolarHBondContact O-CB 3.49Å; I590-A593 PolarHBondContact O-N 3.33Å; I590-H594 PolarHBondContact O-N 3.36Å
591	N	87.6	Confident	82.3	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-44	-39.5	171.9	-95.3	-26.3	0	0	0	114.7	R489 D490 R535 E589 A593 H594 D595	R489-N591 WeakPolarHBondContact CG-OD1 3.29Å; D490-N591 PolarHBondContact N-OD1 3.24Å; D490-N591 PolarHBondContact OD1-ND2 3.04Å; R535-N591 PolarHBondContact NH1-ND2 3.13Å; E589-N591 HydrophobicContact CB-CB 4.1Å; E589-N591 PolarHBondContact O-N 2.94Å; E589-N591 PolarHBondContact OE2-ND2 3.48Å; N591-A593 VanDerWaalsContact C-N 3.26Å; N591-A593 PolarHBondContact O-N 3.45Å; N591-H594 PolarHBondContact O-N 3.31Å; N591-D595 PolarHBondContact O-N 2.94Å; N591-D595 VanDerWaalsContact O-N 3.09Å
592	V	84	Confident	83	Confident	17 Å²	17	37.4 Å²	37.4	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-34.8	179.1	-176.7	0	0	0	0	111.2	Y453 L455 I466 I590 V596 V602	Y453-V592 HydrophobicContact CG-CG1 4.31Å; L455-V592 HydrophobicContact CD2-CG2 3.8Å; I466-V592 HydrophobicContact CD1-CB 3.78Å; I466-V592 HydrophobicContact CD1-CG1 3.92Å; I466-V592 HydrophobicContact CG1-CB 4.04Å; I466-V592 HydrophobicContact CG1-CG1 3.84Å; I590-V592 PolarHBondContact O-N 3.34Å; I590-V592 VanDerWaalsContact O-N 3.11Å; V592-V596 VanDerWaalsContact O-CG2 3.31Å; V592-V596 WeakPolarHBondContact O-CG2 3.34Å; V592-V596 PolarHBondContact O-N 3Å; V592-V602 HydrophobicContact CG1-CG1 3.93Å
593	A	89.5	Confident	83.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.4	-41.8	176.7	0	0	0	0	0	111.6	I408 I466 I468 I590 N591 D595 V596 F597	I408-A593 HydrophobicContact CD1-CB 3.59Å; I466-A593 HydrophobicContact CD1-CB 3.96Å; I468-A593 HydrophobicContact CD1-CB 4.19Å; I590-A593 HydrophobicContact CD1-CB 3.99Å; I590-A593 HydrophobicContact CG1-CB 4.31Å; I590-A593 WeakPolarHBondContact O-CA 3.21Å; I590-A593 VanDerWaalsContact O-CB 3.31Å; I590-A593 WeakPolarHBondContact O-CB 3.49Å; I590-A593 PolarHBondContact O-N 3.33Å; N591-A593 VanDerWaalsContact C-N 3.26Å; N591-A593 PolarHBondContact O-N 3.45Å; A593-D595 PolarHBondContact O-N 3.08Å; A593-V596 PolarHBondContact O-N 3.21Å; A593-F597 HydrophobicContact CB-CD2 4.23Å; A593-F597 HydrophobicContact CB-CE2 3.86Å; A593-F597 WeakPolarHBondContact O-CB 3.43Å; A593-F597 WeakPolarHBondContact O-CD2 3.42Å; A593-F597 WeakPolarHBondContact O-CG 3.24Å; A593-F597 PolarHBondContact O-N 2.9Å
594	H	90.1	Very high	83.7	Confident	39 Å²	39	39.9 Å²	39.9	18%	0.181	22%	0.218	C	C	.	.	H	α-helix	trans	-56	-49.1	173.5	-77.5	-56.4	0	0	0	112	A487 R489 I590 N591 V596 F597 S598	A487-H594 PolarHBondContact O-NE2 2.79Å; R489-H594 HydrophobicContact CG-CB 4.18Å; I590-H594 PolarHBondContact O-N 3.36Å; N591-H594 PolarHBondContact O-N 3.31Å; H594-V596 VanDerWaalsContact C-N 3.32Å; H594-V596 PolarHBondContact O-N 3.26Å; H594-F597 CarbonylContact O-C 3.5Å; H594-F597 PolarHBondContact O-N 3.27Å; H594-F597 VanDerWaalsContact O-N 3.11Å; H594-S598 WeakPolarHBondContact O-CB 3.3Å; H594-S598 PolarHBondContact O-N 3.47Å; H594-S598 PolarHBondContact O-OG 3.22Å
595	D	85.6	Confident	83.1	Confident	27 Å²	27	41.5 Å²	41.5	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-34	-178.5	-74.6	-24.9	0	0	0	112.8	R489 N591 A593 G599 K600 V602	R489-D595 IonicContact CZ-OD1 3.11Å; R489-D595 VanDerWaalsContact CZ-OD1 3.29Å; R489-D595 IonicContact CZ-OD2 2.7Å; R489-D595 IonicContact NE-OD1 2.77Å; R489-D595 PolarHBondContact NE-OD1 2.99Å; R489-D595 IonicContact NE-OD2 2.75Å; R489-D595 IonicContact NH2-OD1 2.87Å; R489-D595 PolarHBondContact NH2-OD1 2.86Å; R489-D595 IonicContact NH2-OD2 3.9Å; R489-D595 PolarHBondContact NH2-OD2 1.86Å; N591-D595 PolarHBondContact O-N 2.94Å; N591-D595 VanDerWaalsContact O-N 3.09Å; A593-D595 PolarHBondContact O-N 3.08Å; D595-G599 PolarHBondContact O-N 3.48Å; D595-K600 HydrophobicContact CB-CB 4.28Å; D595-K600 HydrophobicContact CB-CD 4.16Å; D595-K600 WeakPolarHBondContact O-CB 3.4Å; D595-K600 PolarHBondContact O-N 3.33Å; D595-K600 WeakPolarHBondContact OD1-CD 3.46Å; D595-K600 WeakPolarHBondContact OD1-CE 3.3Å; D595-K600 IonicContact OD1-NZ 3.69Å; D595-K600 PolarHBondContact OD1-NZ 3.13Å; D595-V602 HydrophobicContact CB-CG2 3.78Å
596	V	85.5	Confident	81.7	Confident	30 Å²	30	51 Å²	51	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-43.9	169.7	172	0	0	0	0	111.7	Y453 I468 V592 A593 H594 S598 G599 V602	Y453-V596 HydrophobicContact CD1-CG2 3.9Å; Y453-V596 HydrophobicContact CD2-CG2 4.35Å; Y453-V596 HydrophobicContact CE1-CG2 3.39Å; Y453-V596 HydrophobicContact CE2-CG1 4.41Å; Y453-V596 HydrophobicContact CE2-CG2 3.91Å; Y453-V596 HydrophobicContact CG-CG2 4.34Å; Y453-V596 VanDerWaalsContact CZ-CG2 3.41Å; Y453-V596 WeakPolarHBondContact OH-CG1 3.33Å; I468-V596 HydrophobicContact CD1-CB 4.14Å; I468-V596 HydrophobicContact CD1-CG1 3.99Å; I468-V596 HydrophobicContact CD1-CG2 4.4Å; V592-V596 VanDerWaalsContact O-CG2 3.31Å; V592-V596 WeakPolarHBondContact O-CG2 3.34Å; V592-V596 PolarHBondContact O-N 3Å; A593-V596 PolarHBondContact O-N 3.21Å; H594-V596 VanDerWaalsContact C-N 3.32Å; H594-V596 PolarHBondContact O-N 3.26Å; V596-S598 VanDerWaalsContact C-N 3.31Å; V596-S598 PolarHBondContact O-N 3.1Å; V596-G599 PolarHBondContact O-N 2.88Å; V596-V602 HydrophobicContact CG2-CB 4.13Å; V596-V602 HydrophobicContact CG2-CG2 3.89Å
597	F	88.7	Confident	79.6	Confident	25 Å²	25	53.9 Å²	53.9	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-72.8	-20.9	-179.8	-64.8	-34.7	0	0	0	113.5	R394 L406 I408 I468 L486 A593 H594 G599	R394-F597 HydrophobicContact CG-CB 4.01Å; R394-F597 HydrophobicContact CG-CD1 4.28Å; R394-F597 HydrophobicContact CG-CD2 4.21Å; R394-F597 HydrophobicContact CG-CG 3.92Å; R394-F597 PolarHBondContact NE-O 2.04Å; R394-F597 PolarHBondContact NH2-O 2.8Å; L406-F597 HydrophobicContact CD1-CE1 3.86Å; L406-F597 HydrophobicContact CD1-CZ 4Å; I408-F597 HydrophobicContact CD1-CE2 4.3Å; I408-F597 HydrophobicContact CD1-CZ 4.42Å; I468-F597 HydrophobicContact CD1-CE1 4.25Å; I468-F597 HydrophobicContact CD1-CZ 4.12Å; I468-F597 HydrophobicContact CG2-CE1 4.3Å; I468-F597 HydrophobicContact CG2-CZ 4.31Å; L486-F597 HydrophobicContact CD1-CD2 3.8Å; L486-F597 HydrophobicContact CD1-CE2 3.72Å; A593-F597 HydrophobicContact CB-CD2 4.23Å; A593-F597 HydrophobicContact CB-CE2 3.86Å; A593-F597 WeakPolarHBondContact O-CB 3.43Å; A593-F597 WeakPolarHBondContact O-CD2 3.42Å; A593-F597 WeakPolarHBondContact O-CG 3.24Å; A593-F597 PolarHBondContact O-N 2.9Å; H594-F597 CarbonylContact O-C 3.5Å; H594-F597 PolarHBondContact O-N 3.27Å; H594-F597 VanDerWaalsContact O-N 3.11Å; F597-G599 VanDerWaalsContact C-N 3.33Å
598	S	85.4	Confident	76.9	Confident	84 Å²	84	61.4 Å²	61.4	59%	0.587	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.7	166.3	-59.4	0	0	0	0	113.6	H594 V596 K600	H594-S598 WeakPolarHBondContact O-CB 3.3Å; H594-S598 PolarHBondContact O-N 3.47Å; H594-S598 PolarHBondContact O-OG 3.22Å; V596-S598 VanDerWaalsContact C-N 3.31Å; V596-S598 PolarHBondContact O-N 3.1Å; S598-K600 VanDerWaalsContact C-N 3.34Å; S598-K600 PolarHBondContact O-N 2.85Å
599	G	81.7	Confident	74.1	Confident	65 Å²	65	67.1 Å²	67.1	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	11.7	177.8	0	0	0	0	0	115.7	D595 V596 F597	D595-G599 PolarHBondContact O-N 3.48Å; V596-G599 PolarHBondContact O-N 2.88Å; F597-G599 VanDerWaalsContact C-N 3.33Å
600	K	80.5	Confident	71.2	Confident	107 Å²	107	72.5 Å²	72.5	47%	0.465	38%	0.381	S	S	.	.			trans	-70.6	148.6	177.2	-59.6	-177.1	-167.2	159.8	0	110.9	D595 S598 V602	D595-K600 HydrophobicContact CB-CB 4.28Å; D595-K600 HydrophobicContact CB-CD 4.16Å; D595-K600 WeakPolarHBondContact O-CB 3.4Å; D595-K600 PolarHBondContact O-N 3.33Å; D595-K600 WeakPolarHBondContact OD1-CD 3.46Å; D595-K600 WeakPolarHBondContact OD1-CE 3.3Å; D595-K600 IonicContact OD1-NZ 3.69Å; D595-K600 PolarHBondContact OD1-NZ 3.13Å; S598-K600 VanDerWaalsContact C-N 3.34Å; S598-K600 PolarHBondContact O-N 2.85Å; K600-V602 PolarHBondContact O-N 3.43Å
601	K	73.7	Confident	68.3	Low	219 Å²	219	80.3 Å²	80.3	95%	0.952	42%	0.417	S	S	*	.			trans	-72.4	89.9	175.3	-70.4	-177.8	178.5	176.8	0	110.9
602	V	74.1	Confident	65.5	Low	36 Å²	36	89 Å²	89	22%	0.218	46%	0.457	C	S	.	.			trans	-83.9	143.4	170	179.8	0	0	0	0	110	Y453 V592 D595 V596 K600 T604	Y453-V602 HydrophobicContact CD1-CB 4.03Å; Y453-V602 HydrophobicContact CD1-CG1 3.67Å; Y453-V602 HydrophobicContact CE1-CB 4.31Å; Y453-V602 HydrophobicContact CE1-CG1 4.43Å; Y453-V602 HydrophobicContact CG-CG1 4.36Å; V592-V602 HydrophobicContact CG1-CG1 3.93Å; D595-V602 HydrophobicContact CB-CG2 3.78Å; V596-V602 HydrophobicContact CG2-CB 4.13Å; V596-V602 HydrophobicContact CG2-CG2 3.89Å; K600-V602 PolarHBondContact O-N 3.43Å; V602-T604 PolarHBondContact O-N 3.08Å
603	Q	73.3	Confident	62.8	Low	105 Å²	105	93.5 Å²	93.5	49%	0.491	49%	0.487	S	S	.	.			trans	-61.1	110.7	177.5	-165.7	-173.7	15.6	0	0	110.8	G454 T462	G454-Q603 PolarHBondContact N-O 3.38Å; T462-Q603 VanDerWaalsContact CG2-OE1 3.25Å; T462-Q603 PolarHBondContact OG1-NE2 3.09Å; T462-Q603 VanDerWaalsContact OG1-NE2 3.12Å; T462-Q603 PolarHBondContact OG1-OE1 3.26Å
604	T	72.1	Confident	59.9	Low	54 Å²	54	96.9 Å²	96.9	33%	0.331	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-89.5	138.7	175.9	34.9	0	0	0	0	110.1	L452 Y453 V602 Y606	L452-T604 WeakPolarHBondContact O-CA 2.97Å; Y453-T604 HydrophobicContact CD1-CG2 3.88Å; Y453-T604 HydrophobicContact CE1-CG2 3.57Å; V602-T604 PolarHBondContact O-N 3.08Å; T604-Y606 PolarHBondContact O-N 2.94Å; T604-Y606 WeakPolarHBondContact OG1-CE2 3.37Å
605	L	61.8	Low	57.2	Low	39 Å²	39	101.3 Å²	101.3	20%	0.204	55%	0.551	C	S	.	*			trans	-86	88.3	179.2	-71.9	173.3	0	0	0	110.1	L452 T462 R464	L452-L605 HydrophobicContact CB-CB 4.3Å; L452-L605 PolarHBondContact O-N 3.34Å; T462-L605 HydrophobicContact CG2-CD2 3.85Å; R464-L605 HydrophobicContact CB-CD1 4.29Å; R464-L605 HydrophobicContact CG-CD1 3.57Å
606	Y	55.2	Low	54.5	Low	199 Å²	199	109.2 Å²	109.2	78%	0.78	58%	0.584	S	S	*	*			trans	-64.1	142	165.1	-69.2	-84.8	0	0	0	110.4	T604	T604-Y606 PolarHBondContact O-N 2.94Å; T604-Y606 WeakPolarHBondContact OG1-CE2 3.37Å
607	E	44.2	Very low	51.9	Low	71 Å²	71	113.5 Å²	113.5	33%	0.332	61%	0.613	S	S	.	*			trans	-80.9	123.5	174.6	-72.4	179.2	119.1	0	0	110.5	T418 P419 V609	T418-E607 WeakPolarHBondContact CA-OE2 3.08Å; T418-E607 WeakPolarHBondContact CB-OE2 3.5Å; T418-E607 VanDerWaalsContact CG2-OE2 3.26Å; T418-E607 WeakPolarHBondContact CG2-OE2 3.04Å; P419-E607 VanDerWaalsContact CD-OE2 3.23Å; P419-E607 WeakPolarHBondContact CD-OE2 3.19Å; E607-V609 PolarHBondContact O-N 3.31Å
608	N	34.1	Very low	49.3	Very low	159 Å²	159	121.6 Å²	121.6	85%	0.85	65%	0.651	S	S	*	*			trans	-68.6	101	164.4	-75.9	-5.7	0	0	0	108.7	D610	N608-D610 VanDerWaalsContact C-N 3.27Å; N608-D610 PolarHBondContact O-N 3.37Å
609	V	30.1	Very low	46.7	Very low	120 Å²	120	126 Å²	126	73%	0.727	66%	0.66	S	S	*	*			trans	-73.9	80.1	177	-176.4	0	0	0	0	109.5	E607 H611	E607-V609 PolarHBondContact O-N 3.31Å; V609-H611 HydrophobicContact CG1-CB 4.28Å; V609-H611 PolarHBondContact O-N 3.22Å
610	D	27	Very low	44.3	Very low	116 Å²	116	128.3 Å²	128.3	62%	0.62	66%	0.663	S	S	*	*			trans	-76.1	55.7	176.2	-149.1	34.7	0	0	0	110.2	N608 R643	N608-D610 VanDerWaalsContact C-N 3.27Å; N608-D610 PolarHBondContact O-N 3.37Å; D610-R643 IonicContact OD2-CZ 3.68Å; D610-R643 IonicContact OD2-NH1 3.23Å; D610-R643 IonicContact OD2-NH2 3.92Å; D610-R643 PolarHBondContact OD2-NH2 3.16Å
611	H	30.9	Very low	42	Very low	171 Å²	171	128.7 Å²	128.7	79%	0.792	67%	0.674	S	S	*	*			trans	-140	82.2	177.5	-95.8	46	0	0	0	110.2	V609	V609-H611 HydrophobicContact CG1-CB 4.28Å; V609-H611 PolarHBondContact O-N 3.22Å
612	Q	27.2	Very low	40.2	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	67%	0.67	S	S	*	*			trans	-119.1	104	172.2	-157.6	178.8	32.9	0	0	110.1	G614	Q612-G614 PolarHBondContact O-N 3.05Å
613	P	28.6	Very low	38.3	Very low	113 Å²	113	129.4 Å²	129.4	73%	0.734	69%	0.692	S	S	*	*			trans	-68.8	117.4	160.9	27.7	-28.1	0	0	0	107.5	V615	P613-V615 VanDerWaalsContact C-N 3.32Å; P613-V615 PolarHBondContact O-N 2.83Å
614	G	27.2	Very low	36.4	Very low	70 Å²	70	129.5 Å²	129.5	72%	0.722	71%	0.705	S	S	*	*			trans	-73.3	73.5	-168.3	0	0	0	0	0	114.9	Q612	Q612-G614 PolarHBondContact O-N 3.05Å
615	V	33.7	Very low	34.6	Very low	132 Å²	132	132 Å²	132	80%	0.8	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.3	163.6	179.9	0	0	0	0	108.2	P613	P613-V615 VanDerWaalsContact C-N 3.32Å; P613-V615 PolarHBondContact O-N 2.83Å
616	K	28.5	Very low	33.3	Very low	193 Å²	193	134.8 Å²	134.8	84%	0.839	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-84.2	131	-175.9	-61.5	176.4	-178.8	175.3	0	111.8
617	P	31.8	Very low	32.3	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-76	164.9	151	-12	29.8	0	0	0	111
618	H	34.4	Very low	31.8	Very low	194 Å²	194	132.3 Å²	132.3	90%	0.898	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-73	150	-172.8	-72.1	-108.5	0	0	0	114
619	K	31.4	Very low	31.7	Very low	178 Å²	178	129.9 Å²	129.9	77%	0.774	76%	0.762	S	S	*	*			trans	-111.5	129.7	161.2	-177.5	-170	176	-168.6	0	108.3
620	P	30.5	Very low	31.9	Very low	113 Å²	113	129 Å²	129	73%	0.734	76%	0.761	S	S	*	*			trans	-80.6	131.8	169.6	32.2	-31.8	0	0	0	110.8
621	T	32.7	Very low	32.2	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	77%	0.765	S	S	*	*			trans	175	119	138.3	36	0	0	0	0	109.8
622	H	35	Very low	32.4	Very low	186 Å²	186	125.5 Å²	125.5	86%	0.861	77%	0.765	S	S	*	*			trans	14.8	146.8	153.2	-70.2	-90.4	0	0	0	123.9
623	A	33.8	Very low	32.6	Very low	84 Å²	84	121.3 Å²	121.3	69%	0.694	76%	0.762	S	S	*	*			trans	74	102.3	143.3	0	0	0	0	0	119.8
624	S	34.1	Very low	33	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	77%	0.766	S	S	*	*				67.2	119.3	120.1	-49.9	0	0	0	0	120.8
625	S	34	Very low	33.4	Very low	107 Å²	107	130 Å²	130	75%	0.748	78%	0.776	S	S	*	*			trans	37.8	140.4	132.2	61.9	0	0	0	0	121.5
626	S	34.4	Very low	33.3	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	77%	0.771	S	S	*	*			cis	178.2	159	-11	44.5	0	0	0	0	107.8
627	S	35.3	Very low	33.3	Very low	113 Å²	113	129.3 Å²	129.3	79%	0.79	77%	0.765	S	S	*	*			trans	60.1	158.6	166.7	35.5	0	0	0	0	116.6
628	S	33.9	Very low	33	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	77%	0.772	S	S	*	*			cis	-159.2	170.8	-21.7	44.5	0	0	0	0	109.7
629	S	31.4	Very low	32.7	Very low	108 Å²	108	138 Å²	138	76%	0.755	77%	0.774	S	S	*	*			trans	-26.7	150.6	163.4	52.6	0	0	0	0	116.6
630	S	34.1	Very low	32.4	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	78%	0.78	S	S	*	*			cis	-167.9	175.2	48.8	57.4	0	0	0	0	114.7
631	S	33.6	Very low	32.3	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	79%	0.791	S	S	*	*			trans	40.5	133.5	145.1	61.6	0	0	0	0	120.9
632	S	35.1	Very low	31.9	Very low	113 Å²	113	148 Å²	148	79%	0.79	79%	0.794	S	S	*	*			cis	-162.1	157	45.5	-67	0	0	0	0	114.9
633	A	31.7	Very low	31.5	Very low	97 Å²	97	148.9 Å²	148.9	80%	0.802	79%	0.789	S	S	*	*			trans	16.9	120.7	154.5	0	0	0	0	0	121.9
634	S	36.4	Very low	31.1	Very low	117 Å²	117	152.4 Å²	152.4	82%	0.818	79%	0.794	S	S	*	*				-174.1	147.9	102.7	51	0	0	0	0	115
635	R	35.4	Very low	30.7	Very low	250 Å²	250	153.9 Å²	153.9	94%	0.943	79%	0.793	S	S	*	*			trans	49.6	118.4	162.7	-74.9	-177.9	168.5	165.8	-1.9	121.4
636	E	31.1	Very low	30.3	Very low	149 Å²	149	153.9 Å²	153.9	70%	0.696	79%	0.793	S	S	*	*			trans	-51.1	171.4	154.5	-54.7	-175.9	88.2	0	0	114
637	K	28.7	Very low	29.7	Very low	161 Å²	161	158 Å²	158	70%	0.7	80%	0.801	S	S	*	*			cis	-155.7	151.9	24.6	-140.7	139.2	-173.8	146.2	0	111.9	R639	K637-R639 PolarHBondContact O-N 3.42Å
638	R	26.5	Very low	29.2	Very low	250 Å²	250	158.8 Å²	158.8	94%	0.943	80%	0.801	S	S	*	*			trans	-25.8	104.8	178.8	-70.5	172.8	165.6	168.7	-5.4	116.2
639	R	27.6	Very low	28.7	Very low	248 Å²	248	164.3 Å²	164.3	94%	0.936	81%	0.807	S	S	*	*			trans	-82.8	123.3	161.1	-95.1	-174.2	172.2	-178.3	-0.9	111.1	K637	K637-R639 PolarHBondContact O-N 3.42Å
640	R	26.1	Very low	28.4	Very low	236 Å²	236	165.5 Å²	165.5	89%	0.891	80%	0.804	S	S	*	*			trans	-58.2	141.1	163.8	-75.5	175.3	168	161.5	-4.5	109.2	T642	R640-T642 VanDerWaalsContact C-N 3.32Å; R640-T642 PolarHBondContact O-N 2.91Å; R640-T642 PolarHBondContact O-OG1 3.41Å
641	R	26.9	Very low	27.9	Very low	255 Å²	255	165.8 Å²	165.8	96%	0.962	80%	0.803	S	S	*	*			trans	-76.6	81.4	-180	-144	177.2	-165.8	-174.8	4.1	110.8	R643	R641-R643 PolarHBondContact O-N 3.5Å; R641-R643 VanDerWaalsContact O-N 3.09Å
642	T	24.7	Very low	27.6	Very low	125 Å²	125	166.7 Å²	166.7	77%	0.767	80%	0.799	S	S	*	*			trans	-62.9	104.3	174.6	-45.7	0	0	0	0	109.6	R640 I644	R640-T642 VanDerWaalsContact C-N 3.32Å; R640-T642 PolarHBondContact O-N 2.91Å; R640-T642 PolarHBondContact O-OG1 3.41Å; T642-I644 PolarHBondContact O-N 2.81Å
643	R	25.9	Very low	27.2	Very low	204 Å²	204	166.9 Å²	166.9	77%	0.77	80%	0.798	S	S	*	*			trans	-70.3	130.1	169.8	-112	-178.5	172.5	-177.4	-5.2	108.3	D610 R641	D610-R643 IonicContact OD2-CZ 3.68Å; D610-R643 IonicContact OD2-NH1 3.23Å; D610-R643 IonicContact OD2-NH2 3.92Å; D610-R643 PolarHBondContact OD2-NH2 3.16Å; R641-R643 PolarHBondContact O-N 3.5Å; R641-R643 VanDerWaalsContact O-N 3.09Å
644	I	26.2	Very low	26.9	Very low	157 Å²	157	167.8 Å²	167.8	81%	0.805	79%	0.793	S	S	*	*			trans	-65.3	146.9	-164.9	-65.6	159.9	0	0	0	111.2	T642	T642-I644 PolarHBondContact O-N 2.81Å
645	I	25.2	Very low	26.7	Very low	139 Å²	139	168.9 Å²	168.9	71%	0.713	80%	0.795	S	S	*	*			trans	-112	112.5	172.4	-59.8	174.3	0	0	0	106.7	E647	I645-E647 PolarHBondContact O-N 2.73Å
646	S	25.4	Very low	26.4	Very low	107 Å²	107	165.5 Å²	165.5	75%	0.748	79%	0.79	S	S	*	*			trans	-79	114.1	173.7	-51.5	0	0	0	0	109.6
647	E	22.7	Very low	26.3	Very low	182 Å²	182	164.4 Å²	164.4	85%	0.85	80%	0.796	S	S	*	*			trans	-95.1	137.8	157.3	-65.5	-173.5	125	0	0	107.5	I645	I645-E647 PolarHBondContact O-N 2.73Å
648	V	24.8	Very low	26.4	Very low	130 Å²	130	163.5 Å²	163.5	79%	0.788	80%	0.804	S	S	*	*			trans	-123.8	134.8	177.4	-179.7	0	0	0	0	108.5
649	Y	22.5	Very low	26.5	Very low	220 Å²	220	159.2 Å²	159.2	86%	0.863	80%	0.798	S	S	*	*			trans	-120.3	137.1	-173.7	-152.6	-87.4	0	0	0	107.9
650	I	25.6	Very low	26.8	Very low	134 Å²	134	153.1 Å²	153.1	69%	0.687	79%	0.794	S	S	*	*			trans	-132.2	121.6	178.8	-56.3	-178.5	0	0	0	108.6
651	P	24.8	Very low	27	Very low	106 Å²	106	153.6 Å²	153.6	69%	0.688	80%	0.795	S	S	*	*			trans	-80.5	163.6	178.7	34.1	-35.5	0	0	0	112.2
652	I	25.8	Very low	27.3	Very low	121 Å²	121	147.1 Å²	147.1	62%	0.621	79%	0.786	S	S	*	*			trans	-117.6	121.9	170.4	-57.6	175.7	0	0	0	107.6
653	P	27.6	Very low	27.7	Very low	117 Å²	117	150 Å²	150	76%	0.76	79%	0.791	S	S	*	*			trans	-75.9	153.2	174.9	32	-34.4	0	0	0	111.6
654	T	25.2	Very low	27.9	Very low	115 Å²	115	148.8 Å²	148.8	71%	0.706	79%	0.794	S	S	*	*			trans	-127.8	124.9	173.5	43.3	0	0	0	0	110.4
655	T	32	Very low	28.3	Very low	140 Å²	140	150.9 Å²	150.9	86%	0.859	80%	0.798	S	S	*	*			trans	-147.8	134.2	168.2	-38	0	0	0	0	107.1
656	Q	29.1	Very low	28.5	Very low	180 Å²	180	155.4 Å²	155.4	84%	0.841	81%	0.806	S	S	*	*			trans	-83.7	151.1	-178.9	-72.1	165.9	-90.6	0	0	111.1
657	P	28.7	Very low	29	Very low	126 Å²	126	155.5 Å²	155.5	82%	0.818	81%	0.806	S	S	*	*			trans	-84.2	142.3	169.8	34.2	-32.2	0	0	0	111.2
658	T	31.7	Very low	29.6	Very low	142 Å²	142	155.9 Å²	155.9	87%	0.871	81%	0.805	S	S	*	*			trans	-112.4	144.4	169.8	-50.2	0	0	0	0	109.4
659	I	27.5	Very low	30.1	Very low	159 Å²	159	154.8 Å²	154.8	82%	0.815	80%	0.803	S	S	*	*			trans	-80.1	140.2	-168.8	-62.6	162.6	0	0	0	111.8
660	S	33.5	Very low	30.8	Very low	121 Å²	121	149.2 Å²	149.2	85%	0.846	80%	0.797	S	S	*	*			trans	-156.9	147.7	160.9	-74.7	0	0	0	0	110.3
661	R	30.4	Very low	31.3	Very low	245 Å²	245	148 Å²	148	93%	0.925	80%	0.8	S	S	*	*			trans	-89.1	165.1	-171.8	-106	-176.4	164.6	172.2	-4.9	113.4
662	P	33.7	Very low	31.9	Very low	119 Å²	119	148.5 Å²	148.5	77%	0.773	81%	0.806	S	S	*	*			trans	-97.8	165.8	-171.9	38.9	-35.9	0	0	0	114.5
663	E	33.2	Very low	32.3	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	81%	0.814	S	S	*	*			trans	-134.1	163.5	162.6	-90.5	-150.1	97.9	0	0	112.4
664	Q	30.2	Very low	32.8	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	81%	0.814	S	S	*	*			trans	-101.3	156.3	-171.8	-55.4	170.4	-14.5	0	0	112.8
665	K	34.2	Very low	33.4	Very low	202 Å²	202	146.6 Å²	146.6	88%	0.878	81%	0.811	S	S	*	*			trans	-166.5	158.3	132.4	-103.9	140.7	-166.8	159.5	0	114.6
666	R	30.4	Very low	33.6	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	81%	0.807	S	S	*	*			trans	-67.6	159.4	178.7	-64.5	165.1	165.5	165.2	-6.8	111.1
667	S	36.4	Very low	34	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	80%	0.799	S	S	*	*				-174.8	136.5	68.6	-71.1	0	0	0	0	110.2
668	K	35.3	Very low	34.4	Very low	189 Å²	189	142.5 Å²	142.5	82%	0.822	80%	0.798	S	S	*	*				91.7	126.3	66.4	-125.8	-167	-172.3	-165.9	0	114.5
669	S	35.2	Very low	34.7	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	79%	0.791	S	S	*	*			trans	65.9	152.7	158.2	27	0	0	0	0	120.1
670	S	36.9	Very low	35.1	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	78%	0.782	S	S	*	*			cis	-169.6	146.3	-12.6	44.9	0	0	0	0	114.3
671	S	35.2	Very low	35.3	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	78%	0.78	S	S	*	*			trans	19.3	138.7	148.7	61.2	0	0	0	0	124.2
672	S	36.8	Very low	35.7	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	77%	0.767	S	S	*	*				-177.6	155.7	113.8	53.9	0	0	0	0	115.7
673	S	36.1	Very low	35.9	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	77%	0.766	S	S	*	*			trans	-27.8	161.5	168.2	53	0	0	0	0	119.5
674	S	37	Very low	36	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	76%	0.759	S	S	*	*			cis	-166.8	-174.4	34.3	90.9	0	0	0	0	110.4
675	S	38	Very low	36.2	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	76%	0.756	S	S	*	*			cis	-176.3	171.4	-24.4	51.2	0	0	0	0	110.6
676	S	36.8	Very low	35.9	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	75%	0.745	S	S	*	*			trans	66.6	156.7	164.9	72.3	0	0	0	0	119.8
677	S	37.4	Very low	36	Very low	96 Å²	96	122.4 Å²	122.4	67%	0.671	75%	0.745	S	S	*	*			cis	-177.2	137.9	-39.9	52.3	0	0	0	0	107.2
678	L	37.3	Very low	35.6	Very low	151 Å²	151	121.4 Å²	121.4	79%	0.791	74%	0.738	S	S	*	*				178.2	154.2	78.7	-85.6	171.1	0	0	0	110.6
679	D	37.3	Very low	35.6	Very low	137 Å²	137	121.3 Å²	121.3	73%	0.733	74%	0.74	S	S	*	*			trans	33.8	150.9	143.2	-81.9	-74.1	0	0	0	125.3
680	S	35.8	Very low	35.2	Very low	89 Å²	89	123 Å²	123	62%	0.622	74%	0.737	S	S	*	*			cis	-158	163.4	-2.8	-145.9	0	0	0	0	113.3
681	S	38.2	Very low	35	Very low	115 Å²	115	126.2 Å²	126.2	80%	0.804	74%	0.743	S	S	*	*			trans	41.2	144.6	148.2	-87.1	0	0	0	0	122.7
682	S	38.3	Very low	34.7	Very low	91 Å²	91	129 Å²	129	64%	0.636	74%	0.742	S	S	*	*			cis	-162.4	154.5	3.3	60.3	0	0	0	0	112.2
683	K	37.1	Very low	34.5	Very low	174 Å²	174	131 Å²	131	76%	0.757	74%	0.744	S	S	*	*			trans	42.7	136.5	134.9	-63.5	-178.9	173.3	-178	0	119.4
684	H	36.5	Very low	34.1	Very low	158 Å²	158	130.5 Å²	130.5	73%	0.731	74%	0.74	S	S	*	*			cis	-162.4	173	2.4	-98.1	-46.6	0	0	0	106.1
685	I	33.7	Very low	33.8	Very low	148 Å²	148	131.2 Å²	131.2	76%	0.759	75%	0.745	S	S	*	*			cis	-141.3	178.9	6.1	-147.6	166.3	0	0	0	109.5
686	T	27.4	Very low	33.3	Very low	108 Å²	108	136 Å²	136	66%	0.663	75%	0.754	S	S	*	*			trans	-132.8	139.2	179.2	-47.1	0	0	0	0	111	S688	T686-S688 WeakPolarHBondContact CG2-OG 3.25Å
687	V	33.6	Very low	32.8	Very low	145 Å²	145	136.3 Å²	136.3	88%	0.879	76%	0.756	S	S	*	*			trans	-130.3	109.8	150.4	179.9	0	0	0	0	107.4
688	S	28	Very low	32.3	Very low	88 Å²	88	136.2 Å²	136.2	62%	0.615	76%	0.761	S	S	*	*			trans	-118.4	142.7	171.2	-60	0	0	0	0	107.7	T686	T686-S688 WeakPolarHBondContact CG2-OG 3.25Å
689	H	34.8	Very low	31.8	Very low	186 Å²	186	138 Å²	138	86%	0.861	77%	0.766	S	S	*	*			trans	-132.8	108.3	151.3	-109.1	-81.7	0	0	0	108.6
690	E	27.4	Very low	31.4	Very low	144 Å²	144	140 Å²	140	67%	0.673	77%	0.771	S	S	*	*			trans	-69.8	133.7	160.3	-67	-179.7	104.5	0	0	107.8	K692	E690-K692 HydrophobicContact CB-CB 4.5Å; E690-K692 IonicContact OE1-NZ 3.07Å
691	I	32.5	Very low	30.9	Very low	170 Å²	170	142 Å²	142	87%	0.872	78%	0.78	S	S	*	*			trans	-115.4	124.8	139	-64.2	-177.6	0	0	0	105.5
692	K	27.9	Very low	30.4	Very low	166 Å²	166	144.1 Å²	144.1	72%	0.722	78%	0.782	S	S	*	*			trans	-138.3	99.5	-166.9	170.8	-170.7	-176	172.7	0	106.1	E690	E690-K692 HydrophobicContact CB-CB 4.5Å; E690-K692 IonicContact OE1-NZ 3.07Å
693	D	33.3	Very low	29.9	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	78%	0.782	S	S	*	*			trans	-134.7	162.6	173.5	-135.7	-36.8	0	0	0	112
694	S	27.2	Very low	29.3	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	77%	0.769	S	S	*	*			trans	-135.3	115	-145.7	163.7	0	0	0	0	112.4
695	S	32.5	Very low	28.8	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	77%	0.766	S	S	*	*			trans	-127.6	139.4	164.6	57.6	0	0	0	0	111.7
696	K	26.3	Very low	28.4	Very low	193 Å²	193	133.9 Å²	133.9	84%	0.839	75%	0.753	S	S	*	*			trans	-97.5	152.1	174.8	-58.9	167.8	-178	168.1	0	109.1
697	S	25.5	Very low	28.4	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	74%	0.744	S	S	*	*				156	-176.3	120.9	59	0	0	0	0	111.3
698	A	28.2	Very low	28.1	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	72%	0.723	S	S	*	*			trans	61.2	90.9	178.5	0	0	0	0	0	115.7
699	E	26.9	Very low	28	Very low	190 Å²	190	134 Å²	134	89%	0.888	73%	0.726	S	S	*	*			trans	-60.3	142.1	144.7	-65	162.6	105.5	0	0	108.9
700	E	28.2	Very low	27.6	Very low	178 Å²	178	128.9 Å²	128.9	83%	0.832	70%	0.704	S	S	*	*			trans	-140.8	109.4	159.6	-153.2	166.6	-134.2	0	0	108.5
701	T	25.6	Very low	27.8	Very low	132 Å²	132	129.3 Å²	129.3	81%	0.81	71%	0.711	S	S	*	*			trans	-89.7	133.6	179.6	48.5	0	0	0	0	110.1
702	D	28.6	Very low	27.6	Very low	158 Å²	158	124.6 Å²	124.6	85%	0.845	70%	0.698	S	S	*	*			trans	-136.2	132.8	157.6	-168.9	8.4	0	0	0	109.3
703	D	26.6	Very low	27.7	Very low	120 Å²	120	126 Å²	126	64%	0.642	70%	0.704	S	S	*	*			trans	-127.5	99.6	-171.7	-176.8	8.3	0	0	0	111.1	T705	D703-T705 WeakPolarHBondContact OD1-CB 3.21Å; D703-T705 WeakPolarHBondContact OD1-CG2 3.46Å; D703-T705 PolarHBondContact OD1-N 3.07Å; D703-T705 PolarHBondContact OD1-OG1 3.26Å
704	S	25.4	Very low	27.6	Very low	71 Å²	71	124.3 Å²	124.3	50%	0.497	69%	0.694	S	S	.	*			trans	-118.1	49.2	169.6	46.7	0	0	0	0	111.2	A706	S704-A706 PolarHBondContact O-N 3.49Å
705	T	26.1	Very low	27.7	Very low	106 Å²	106	126 Å²	126	65%	0.65	69%	0.694	S	S	*	*			trans	-76.8	79.9	180	50.9	0	0	0	0	114.3	D703 V707	D703-T705 WeakPolarHBondContact OD1-CB 3.21Å; D703-T705 WeakPolarHBondContact OD1-CG2 3.46Å; D703-T705 PolarHBondContact OD1-N 3.07Å; D703-T705 PolarHBondContact OD1-OG1 3.26Å; T705-V707 WeakPolarHBondContact O-CG2 3.07Å; T705-V707 PolarHBondContact O-N 2.96Å
706	A	25.6	Very low	27.4	Very low	59 Å²	59	128.6 Å²	128.6	49%	0.488	69%	0.69	S	S	.	*			trans	-62.5	99.1	167.5	0	0	0	0	0	112.8	S704 I708 D1062	S704-A706 PolarHBondContact O-N 3.49Å; A706-I708 PolarHBondContact O-N 3.21Å; A706-D1062 WeakPolarHBondContact CB-OD2 3.4Å
707	V	26.1	Very low	27.5	Very low	79 Å²	79	125.9 Å²	125.9	48%	0.479	69%	0.689	S	S	.	*			trans	-77.3	91.9	179.6	-176.1	0	0	0	0	111	T705 R709	T705-V707 WeakPolarHBondContact O-CG2 3.07Å; T705-V707 PolarHBondContact O-N 2.96Å; V707-R709 PolarHBondContact O-N 3.08Å; V707-R709 VanDerWaalsContact O-N 3.09Å
708	I	27	Very low	27.6	Very low	84 Å²	84	131.3 Å²	131.3	43%	0.431	69%	0.692	S	S	.	*			trans	-63.4	111.1	167.7	-65.2	-177.5	0	0	0	110.2	A706 L710	A706-I708 PolarHBondContact O-N 3.21Å; I708-L710 HydrophobicContact CG2-CD2 4.26Å; I708-L710 HydrophobicContact CG2-CG 4.33Å; I708-L710 PolarHBondContact O-N 2.73Å
709	R	25.8	Very low	27.5	Very low	181 Å²	181	135.4 Å²	135.4	68%	0.683	70%	0.7	S	S	*	*			trans	-81.1	100.3	175	-69.1	-178.4	175.7	177.5	-1.9	110.9	V707 N711	V707-R709 PolarHBondContact O-N 3.08Å; V707-R709 VanDerWaalsContact O-N 3.09Å; R709-N711 PolarHBondContact O-N 2.65Å; R709-N711 VanDerWaalsContact O-N 3.08Å
710	L	28	Very low	27.8	Very low	78 Å²	78	131.1 Å²	131.1	41%	0.408	70%	0.697	S	S	.	*			trans	-75	94.1	-177.3	-79.7	175.7	0	0	0	113.9	L525 L574 I708 A712	L525-L710 HydrophobicContact CD2-CD1 4.15Å; L574-L710 HydrophobicContact CB-CD2 4.49Å; L574-L710 HydrophobicContact CD1-CD2 4.47Å; L574-L710 HydrophobicContact CD2-CD2 3.82Å; L574-L710 HydrophobicContact CG-CD2 4.48Å; I708-L710 HydrophobicContact CG2-CD2 4.26Å; I708-L710 HydrophobicContact CG2-CG 4.33Å; I708-L710 PolarHBondContact O-N 2.73Å; L710-A712 VanDerWaalsContact C-N 3.35Å; L710-A712 PolarHBondContact O-N 2.88Å
711	N	30.1	Very low	27.8	Very low	153 Å²	153	127.7 Å²	127.7	82%	0.818	70%	0.699	S	S	*	*			trans	-79.5	74.6	170	-79	-60	0	0	0	112.2	R709 K713	R709-N711 PolarHBondContact O-N 2.65Å; R709-N711 VanDerWaalsContact O-N 3.08Å; N711-K713 PolarHBondContact O-N 2.95Å
712	A	30	Very low	28	Very low	72 Å²	72	127 Å²	127	60%	0.595	70%	0.7	S	S	*	*			trans	-72.3	112.9	178.2	0	0	0	0	0	112.2	L710	L710-A712 VanDerWaalsContact C-N 3.35Å; L710-A712 PolarHBondContact O-N 2.88Å
713	K	28.9	Very low	28	Very low	194 Å²	194	127.5 Å²	127.5	84%	0.843	70%	0.701	S	S	*	*			trans	-111.6	117.8	178.2	-129.3	174.5	-174.1	176.3	0	111.7	N711 I715	N711-K713 PolarHBondContact O-N 2.95Å; K713-I715 PolarHBondContact O-N 3.49Å
714	L	31.2	Very low	28.1	Very low	125 Å²	125	125.4 Å²	125.4	65%	0.654	71%	0.708	S	S	*	*			trans	-73.3	105.6	-175.1	-172.8	76.7	0	0	0	112.4	K716	L714-K716 HydrophobicContact CD2-CG 4.46Å; L714-K716 PolarHBondContact O-N 3.14Å; L714-K716 VanDerWaalsContact O-N 3.14Å
715	I	29.3	Very low	28.3	Very low	139 Å²	139	131.1 Å²	131.1	71%	0.713	72%	0.724	S	S	*	*			trans	-77.4	99.3	-179.3	-55	178.8	0	0	0	111	K713 T717	K713-I715 PolarHBondContact O-N 3.49Å; I715-T717 PolarHBondContact O-N 2.84Å
716	K	25.6	Very low	28.5	Very low	176 Å²	176	131.5 Å²	131.5	77%	0.765	72%	0.723	S	S	*	*			trans	-85.1	102.4	172.5	-72.9	174	178.4	164	0	111.3	L714 R718	L714-K716 HydrophobicContact CD2-CG 4.46Å; L714-K716 PolarHBondContact O-N 3.14Å; L714-K716 VanDerWaalsContact O-N 3.14Å; K716-R718 PolarHBondContact O-N 3.11Å
717	T	28.4	Very low	28.8	Very low	135 Å²	135	137 Å²	137	83%	0.828	74%	0.736	S	S	*	*			trans	-75.6	116.2	168	31.5	0	0	0	0	111.3	I715	I715-T717 PolarHBondContact O-N 2.84Å
718	R	27.5	Very low	28.9	Very low	233 Å²	233	139 Å²	139	88%	0.879	75%	0.748	S	S	*	*			trans	-85.1	114	170.2	-87.7	-176	169.5	171	-1.3	110.2	K716	K716-R718 PolarHBondContact O-N 3.11Å
719	L	27.7	Very low	29	Very low	181 Å²	181	145 Å²	145	95%	0.948	77%	0.771	S	S	*	*			trans	-94.9	120.5	156.5	-86.9	162.1	0	0	0	108.5
720	A	32.5	Very low	29.2	Very low	100 Å²	100	147.5 Å²	147.5	83%	0.826	78%	0.781	S	S	*	*			trans	-126	136.5	170.6	0	0	0	0	0	108.4
721	A	27.1	Very low	29.7	Very low	106 Å²	106	148.5 Å²	148.5	88%	0.876	79%	0.792	S	S	*	*			trans	-126.3	145.4	177.8	0	0	0	0	0	109.3
722	S	30.8	Very low	29.8	Very low	118 Å²	118	148.7 Å²	148.7	83%	0.825	79%	0.787	S	S	*	*			trans	-150.7	148.4	163	-169.9	0	0	0	0	109.3
723	L	28	Very low	30	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	79%	0.791	S	S	*	*			trans	-88.6	162.7	168.8	-57	93.8	0	0	0	109.8
724	G	29.5	Very low	30.2	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	78%	0.781	S	S	*	*			trans	178.1	135.7	174.5	0	0	0	0	0	111.4
725	F	30	Very low	30.4	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.833	77%	0.771	S	S	*	*			trans	-106.8	158.3	-163.6	-106	-93.6	0	0	0	115.2
726	N	30.4	Very low	30.6	Very low	115 Å²	115	140.9 Å²	140.9	62%	0.615	77%	0.766	S	S	*	*			trans	79.9	122.6	144.2	-81.8	-30.7	0	0	0	123.9
727	K	30.2	Very low	31.1	Very low	175 Å²	175	137.5 Å²	137.5	76%	0.761	77%	0.765	S	S	*	*				60.7	144.8	123.1	-66.3	-177.9	179.8	-176.8	0	121.1
728	T	29.5	Very low	31.5	Very low	121 Å²	121	136.1 Å²	136.1	74%	0.742	76%	0.76	S	S	*	*			cis	-168.2	166.1	-9.7	15.6	0	0	0	0	113.1
729	K	28.7	Very low	31.9	Very low	208 Å²	208	130.3 Å²	130.3	90%	0.904	76%	0.756	S	S	*	*			trans	83.5	166.4	158.7	-76.1	179.6	177.3	-175.9	0	119.7
730	R	30.4	Very low	32.4	Very low	235 Å²	235	126.3 Å²	126.3	89%	0.887	74%	0.743	S	S	*	*			trans	-132	-159.6	-165.4	-44	174.4	172.8	173.1	-4.2	109.9
731	P	37.2	Very low	32.5	Very low	99 Å²	99	128.8 Å²	128.8	64%	0.643	74%	0.741	S	S	*	*			cis	-140.1	-173.3	-11.7	21.7	6.6	0	0	0	117.6
732	H	33.7	Very low	32.8	Very low	156 Å²	156	126.5 Å²	126.5	72%	0.722	73%	0.728	S	S	*	*			trans	111.5	125.9	152.1	-71.9	-78.7	0	0	0	123
733	H	33.8	Very low	33	Very low	144 Å²	144	129.1 Å²	129.1	67%	0.667	73%	0.727	S	S	*	*			trans	72.9	-172.5	157.6	-63.8	-62.9	0	0	0	125.3
734	S	32.7	Very low	33.1	Very low	92 Å²	92	129.8 Å²	129.8	64%	0.643	73%	0.726	S	S	*	*			trans	-164.7	175.8	-131.8	44.5	0	0	0	0	111.8
735	G	34.6	Very low	33.1	Very low	43 Å²	43	133.1 Å²	133.1	44%	0.443	72%	0.724	S	S	.	*			cis	169	-175.6	2.5	0	0	0	0	0	112.4
736	S	34.2	Very low	33.1	Very low	88 Å²	88	130.7 Å²	130.7	62%	0.615	72%	0.718	S	S	*	*			trans	64.3	166.2	177.7	22.1	0	0	0	0	116.7
737	S	35.7	Very low	33.2	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	72%	0.724	S	S	*	*			cis	-168	-165.9	-22.8	64.7	0	0	0	0	106.8
738	S	36.8	Very low	33.4	Very low	106 Å²	106	131 Å²	131	74%	0.741	73%	0.728	S	S	*	*			cis	179.1	154.7	-17	36.7	0	0	0	0	106.7
739	S	36.7	Very low	33.6	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	73%	0.728	S	S	*	*			cis	-132.5	-124.7	-2.6	38.2	0	0	0	0	109.3
740	S	37.2	Very low	33.6	Very low	96 Å²	96	128.5 Å²	128.5	67%	0.671	73%	0.726	S	S	*	*			cis	-177.5	167.2	-15.2	26.5	0	0	0	0	106.2
741	L	35.5	Very low	33.8	Very low	153 Å²	153	122.2 Å²	122.2	80%	0.801	72%	0.715	S	S	*	*			cis	-162.4	164.5	-2.3	-123.5	174	0	0	0	109
742	G	33	Very low	33.3	Very low	57 Å²	57	124.8 Å²	124.8	59%	0.588	72%	0.724	S	S	*	*			trans	66.6	175.4	155	0	0	0	0	0	123.3
743	E	34.2	Very low	33.3	Very low	174 Å²	174	129.2 Å²	129.2	81%	0.813	73%	0.734	S	S	*	*			cis	-164.6	-164.4	-24.3	-112.3	116.6	53.1	0	0	111.3
744	E	30.1	Very low	33	Very low	181 Å²	181	129.4 Å²	129.4	85%	0.846	74%	0.735	S	S	*	*			trans	-149.5	172.1	-137.9	-164.2	162.6	94.7	0	0	118.7
745	I	30.9	Very low	32.7	Very low	147 Å²	147	135.5 Å²	135.5	75%	0.754	74%	0.744	S	S	*	*			trans	155.7	125.9	135.3	-79.6	170.5	0	0	0	119.1
746	I	30.3	Very low	32.1	Very low	138 Å²	138	140 Å²	140	71%	0.708	76%	0.757	S	S	*	*			trans	58.8	138	150	-66.3	169.8	0	0	0	125.9
747	P	32.1	Very low	31.9	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	77%	0.767	S	S	*	*			trans	-127	174.5	164.8	43.1	-30.5	0	0	0	117.8
748	H	33.5	Very low	31.4	Very low	181 Å²	181	143.7 Å²	143.7	84%	0.838	77%	0.772	S	S	*	*			trans	-145.4	162.9	175.7	-67	-47.6	0	0	0	115.3
749	P	34.4	Very low	31.1	Very low	113 Å²	113	143.5 Å²	143.5	73%	0.734	77%	0.768	S	S	*	*			trans	-135.4	166.8	-169.1	43.4	-26.9	0	0	0	120.7
750	L	28.9	Very low	30.5	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	77%	0.771	S	S	*	*			trans	68	166.2	159	-71.4	176.9	0	0	0	120.7
751	P	34	Very low	29.9	Very low	103 Å²	103	148.3 Å²	148.3	67%	0.669	78%	0.777	S	S	*	*			cis	-135.8	173.2	-18	32.6	-11.1	0	0	0	117.8
752	D	27.8	Very low	29.5	Very low	153 Å²	153	146 Å²	146	82%	0.818	78%	0.78	S	S	*	*			trans	26	139.3	150.6	-59.2	-39.3	0	0	0	126.8
753	R	33.2	Very low	29.2	Very low	249 Å²	249	152.4 Å²	152.4	94%	0.94	80%	0.795	S	S	*	*				-165.5	147.2	127.7	-111.5	174	-171.8	-149.7	0.4	116.9
754	H	27.6	Very low	28.9	Very low	147 Å²	147	153.5 Å²	153.5	68%	0.681	80%	0.8	S	S	*	*			trans	-54.6	153	174.6	-97.4	-134.5	0	0	0	116.8
755	W	25.4	Very low	28.7	Very low	220 Å²	220	151.4 Å²	151.4	83%	0.833	80%	0.8	S	S	*	*				176.5	162.7	95.9	-92.9	106.8	0	0	0	113.9
756	N	23.6	Very low	28.7	Very low	137 Å²	137	154 Å²	154	73%	0.733	81%	0.809	S	S	*	*			trans	-88.3	159	-180	-56.4	-41.6	0	0	0	112.8
757	T	29.5	Very low	28.6	Very low	133 Å²	133	154.1 Å²	154.1	82%	0.816	81%	0.811	S	S	*	*			trans	-177.6	146.4	131.5	-75.7	0	0	0	0	111.4
758	V	25.8	Very low	28.4	Very low	137 Å²	137	152.9 Å²	152.9	83%	0.83	81%	0.805	S	S	*	*			trans	-130	128.3	172.3	167.9	0	0	0	0	105.7
759	P	30.3	Very low	28	Very low	103 Å²	103	149.7 Å²	149.7	67%	0.669	80%	0.798	S	S	*	*				-159	165.5	92.7	42.2	-22.1	0	0	0	119.4
760	K	24	Very low	27.7	Very low	192 Å²	192	154.7 Å²	154.7	84%	0.835	80%	0.803	S	S	*	*			trans	48.1	123.6	140	-70.9	-179.4	176.2	-178.9	0	122.5
761	S	23.8	Very low	27.5	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	79%	0.794	S	S	*	*			trans	55.7	111.2	135.4	64.9	0	0	0	0	121.3
762	A	27.4	Very low	27.1	Very low	104 Å²	104	154.4 Å²	154.4	86%	0.86	80%	0.799	S	S	*	*			trans	-144.1	149.9	130.8	0	0	0	0	0	108.6
763	E	25.7	Very low	26.9	Very low	192 Å²	192	156.6 Å²	156.6	90%	0.897	80%	0.795	S	S	*	*			trans	-85.1	139.1	168.1	-65.6	164.9	102.6	0	0	109.2
764	E	29.2	Very low	26.5	Very low	198 Å²	198	149.9 Å²	149.9	93%	0.925	78%	0.782	S	S	*	*			trans	-153.1	136.4	150.5	-128.3	166.2	-147.6	0	0	110.7
765	T	25.6	Very low	26.4	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	79%	0.79	S	S	*	*			trans	-104.8	128.8	-170.5	52.6	0	0	0	0	111.4
766	E	31.1	Very low	26.4	Very low	201 Å²	201	146.3 Å²	146.3	94%	0.939	79%	0.789	S	S	*	*			trans	-144.6	130.3	159.2	-133.4	-178.7	-153.2	0	0	112.9
767	D	27.9	Very low	26.4	Very low	141 Å²	141	149.2 Å²	149.2	75%	0.754	80%	0.795	S	S	*	*			trans	-85	134	179.7	172.3	23.5	0	0	0	110.9
768	S	27.9	Very low	26.1	Very low	90 Å²	90	150.1 Å²	150.1	63%	0.629	79%	0.794	S	S	*	*			trans	-152.4	91.1	169.1	-157	0	0	0	0	113.2	R770	S768-R770 PolarHBondContact O-N 2.92Å
769	T	25.8	Very low	26.1	Very low	114 Å²	114	149.4 Å²	149.4	70%	0.699	79%	0.789	S	S	*	*			trans	-62.6	85.4	172.4	56.5	0	0	0	0	112.7	V771	T769-V771 PolarHBondContact O-N 2.97Å
770	R	27.1	Very low	25.8	Very low	218 Å²	218	153.3 Å²	153.3	82%	0.823	80%	0.796	S	S	*	*			trans	-73.5	80	-177.8	-74.4	-170.8	174.4	-169.5	-0.4	113.9	S768 I772	S768-R770 PolarHBondContact O-N 2.92Å; R770-I772 PolarHBondContact O-N 2.88Å
771	V	25	Very low	25.9	Very low	112 Å²	112	150.4 Å²	150.4	68%	0.679	79%	0.794	S	S	*	*			trans	-72.9	89.7	171.2	-176.1	0	0	0	0	110.9	T769 R773	T769-V771 PolarHBondContact O-N 2.97Å; V771-R773 HydrophobicContact CG1-CG 4.34Å; V771-R773 PolarHBondContact O-N 3.38Å
772	I	25.7	Very low	26	Very low	149 Å²	149	155.9 Å²	155.9	76%	0.764	80%	0.797	S	S	*	*			trans	-69.3	99.3	177.8	-62.3	177.7	0	0	0	110.8	R770 V774	R770-I772 PolarHBondContact O-N 2.88Å; I772-V774 HydrophobicContact CG2-CG2 3.85Å
773	R	22.7	Very low	26	Very low	199 Å²	199	159 Å²	159	75%	0.751	80%	0.799	S	S	*	*			trans	-94	114.5	168.1	-67	179.7	179.3	173.2	-0.2	109.9	V771	V771-R773 HydrophobicContact CG1-CG 4.34Å; V771-R773 PolarHBondContact O-N 3.38Å
774	V	26.2	Very low	26.1	Very low	108 Å²	108	154.5 Å²	154.5	66%	0.655	79%	0.794	S	S	*	*			trans	-112.5	105.7	173.1	178.5	0	0	0	0	110.6	I772 V776	I772-V774 HydrophobicContact CG2-CG2 3.85Å; V774-V776 HydrophobicContact CG1-CG2 3.87Å
775	N	24.4	Very low	25.9	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	78%	0.784	S	S	*	*			trans	-100	110.9	169.9	-78	-36.3	0	0	0	109.3
776	V	25.9	Very low	26	Very low	133 Å²	133	150.2 Å²	150.2	81%	0.806	79%	0.788	S	S	*	*			trans	-131.9	140	171.5	-175.4	0	0	0	0	110.9	V774	V774-V776 HydrophobicContact CG1-CG2 3.87Å
777	K	23.6	Very low	25.9	Very low	197 Å²	197	148.1 Å²	148.1	86%	0.857	78%	0.782	S	S	*	*			trans	-77.1	150.2	-170.9	-67.9	171.8	179.6	169.9	0	112.6	V779	K777-V779 PolarHBondContact O-N 2.97Å
778	L	23.1	Very low	25.8	Very low	152 Å²	152	151 Å²	151	80%	0.796	78%	0.783	S	S	*	*			trans	-74.8	102.7	173.2	-172.3	85.8	0	0	0	110.9	K780	L778-K780 HydrophobicContact CD2-CG 4.42Å; L778-K780 PolarHBondContact O-N 3.34Å
779	V	24.8	Very low	25.9	Very low	122 Å²	122	152.9 Å²	152.9	74%	0.739	78%	0.78	S	S	*	*			trans	-69.5	124.2	168.2	178.4	0	0	0	0	109.3	K777	K777-V779 PolarHBondContact O-N 2.97Å
780	K	24.1	Very low	26.1	Very low	186 Å²	186	151.6 Å²	151.6	81%	0.809	77%	0.768	S	S	*	*			trans	-100.2	100.2	171.6	-75	176.6	180	166.1	0	109.8	L778	L778-K780 HydrophobicContact CD2-CG 4.42Å; L778-K780 PolarHBondContact O-N 3.34Å
781	T	26.9	Very low	26.3	Very low	130 Å²	130	147.4 Å²	147.4	80%	0.798	76%	0.758	S	S	*	*			trans	-98	104.9	159.8	33.4	0	0	0	0	109.6
782	R	25	Very low	26.7	Very low	231 Å²	231	147.2 Å²	147.2	87%	0.872	76%	0.757	S	S	*	*			trans	-71.7	142.8	150.7	-64.8	167.6	168.1	168.3	-6.6	106.6
783	L	27.9	Very low	26.9	Very low	171 Å²	171	150.2 Å²	150.2	90%	0.895	77%	0.765	S	S	*	*				-163.7	167.8	110.6	-126.7	69.2	0	0	0	110.8
784	A	27.4	Very low	27.5	Very low	97 Å²	97	149.7 Å²	149.7	80%	0.802	76%	0.763	S	S	*	*			trans	-137.7	150.6	170.7	0	0	0	0	0	108.5
785	G	26.6	Very low	28.2	Very low	69 Å²	69	149.1 Å²	149.1	71%	0.711	76%	0.762	S	S	*	*			trans	96.2	154.7	-166.8	0	0	0	0	0	111.7
786	L	27	Very low	28.8	Very low	174 Å²	174	148.4 Å²	148.4	91%	0.911	75%	0.753	S	S	*	*			cis	-151.1	149.1	0.2	-109.2	156.8	0	0	0	109.8
787	L	28.8	Very low	29.3	Very low	158 Å²	158	149.9 Å²	149.9	83%	0.827	75%	0.751	S	S	*	*			trans	-86.5	139.9	168.6	-68.6	159.6	0	0	0	109.6
788	R	26.7	Very low	29.9	Very low	201 Å²	201	146 Å²	146	76%	0.758	75%	0.749	S	S	*	*			trans	161.1	137.5	141.6	-91.9	164.6	-173.3	-139.7	5.8	116
789	F	28.8	Very low	30.5	Very low	130 Å²	130	142 Å²	142	57%	0.57	74%	0.744	S	S	*	*			trans	60	154.2	138.2	-67	-43	0	0	0	122.1
790	N	30.6	Very low	31	Very low	86 Å²	86	142 Å²	142	46%	0.46	75%	0.749	S	S	.	*			cis	-161.9	174.6	-24.3	-152.3	54.6	0	0	0	112.6
791	E	32.2	Very low	31.5	Very low	130 Å²	130	138.1 Å²	138.1	61%	0.607	75%	0.745	S	S	*	*			trans	-38.2	172.4	170.8	-62.9	171.1	115	0	0	120.1
792	T	33.4	Very low	31.8	Very low	108 Å²	108	137.2 Å²	137.2	66%	0.663	75%	0.745	S	S	*	*			cis	-177.8	158.8	-18.1	40.8	0	0	0	0	110.5
793	K	30.1	Very low	32.2	Very low	213 Å²	213	131.1 Å²	131.1	93%	0.926	74%	0.737	S	S	*	*			trans	-169	165.2	139.5	-108.8	169	-177.4	-176.9	0	114.8
794	R	35.3	Very low	32.2	Very low	188 Å²	188	128 Å²	128	71%	0.709	73%	0.729	S	S	*	*			trans	-152.5	-170.7	-178.9	-110.4	-168.5	-172.6	161.3	8.1	107.1	E816	R794-E816 IonicContact CZ-OE1 2.91Å; R794-E816 IonicContact NH1-OE1 3.86Å; R794-E816 PolarHBondContact NH1-OE1 2.96Å; R794-E816 IonicContact NH1-OE2 3.17Å; R794-E816 PolarHBondContact NH1-OE2 2.96Å; R794-E816 IonicContact NH2-OE1 3.84Å; R794-E816 PolarHBondContact NH2-OE1 3.05Å
795	P	39.1	Very low	32.2	Very low	96 Å²	96	131.8 Å²	131.8	62%	0.623	74%	0.736	S	S	*	*			cis	-107.9	-140.2	-9.9	6.3	20.8	0	0	0	112.3
796	H	37.5	Very low	32.2	Very low	145 Å²	145	131.9 Å²	131.9	67%	0.671	74%	0.736	S	S	*	*			cis	-155.6	164.1	15.3	-87.5	-79.8	0	0	0	113.4
797	H	37.1	Very low	32.2	Very low	164 Å²	164	133.2 Å²	133.2	76%	0.759	74%	0.738	S	S	*	*			trans	28.6	151.2	145.5	-56.6	-46	0	0	0	124.1
798	S	35.7	Very low	32	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	73%	0.734	S	S	*	*			cis	-176.2	154.9	-9.3	47.9	0	0	0	0	114
799	G	36.9	Very low	32	Very low	68 Å²	68	132 Å²	132	70%	0.701	74%	0.74	S	S	*	*			trans	107.6	126.2	167.9	0	0	0	0	0	114.8
800	S	34.2	Very low	31.9	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	74%	0.74	S	S	*	*				83	130.6	58.3	65.4	0	0	0	0	114.1
801	S	34	Very low	32	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	75%	0.754	S	S	*	*			cis	-172.8	169.4	-2.4	44.7	0	0	0	0	112.1
802	S	34.8	Very low	31.9	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	76%	0.764	S	S	*	*			trans	64.3	152.2	168.7	40.8	0	0	0	0	119
803	S	31.7	Very low	31.9	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	77%	0.772	S	S	*	*			cis	-168.4	154.5	-14.2	48.7	0	0	0	0	113.8
804	S	29	Very low	32.2	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	77%	0.769	S	S	*	*			trans	71.7	142.4	154.8	67.7	0	0	0	0	122.7
805	L	28.2	Very low	32.2	Very low	178 Å²	178	130.2 Å²	130.2	93%	0.932	77%	0.773	S	S	*	*			trans	68.9	122.4	162.1	-73.1	155.7	0	0	0	119.5
806	G	25.1	Very low	32.1	Very low	70 Å²	70	132.3 Å²	132.3	72%	0.722	77%	0.774	S	S	*	*			trans	117.4	118	160.8	0	0	0	0	0	116.6
807	E	26.7	Very low	32.3	Very low	202 Å²	202	135.2 Å²	135.2	94%	0.944	78%	0.779	S	S	*	*			trans	55.5	173.2	148.2	-74	177.2	98	0	0	122.9
808	E	25.9	Very low	32.3	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.743	78%	0.784	S	S	*	*			trans	52.1	111.3	166.2	-149.1	171.2	-159.7	0	0	120.9	I810	E808-I810 VanDerWaalsContact C-N 3.31Å; E808-I810 HydrophobicContact CB-CG1 4.12Å; E808-I810 HydrophobicContact CG-CD1 4.48Å; E808-I810 HydrophobicContact CG-CG1 3.74Å; E808-I810 PolarHBondContact O-N 3.49Å
809	I	26.8	Very low	32.3	Very low	175 Å²	175	137.5 Å²	137.5	90%	0.897	79%	0.786	S	S	*	*			trans	-80.2	77.6	169.2	-53.4	-179.6	0	0	0	109.9
810	I	27	Very low	32.8	Very low	111 Å²	111	136.9 Å²	136.9	57%	0.569	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.6	127	175.4	-58	176.9	0	0	0	109.9	E808 H812	E808-I810 VanDerWaalsContact C-N 3.31Å; E808-I810 HydrophobicContact CB-CG1 4.12Å; E808-I810 HydrophobicContact CG-CD1 4.48Å; E808-I810 HydrophobicContact CG-CG1 3.74Å; E808-I810 PolarHBondContact O-N 3.49Å; I810-H812 PolarHBondContact O-N 2.03Å
811	P	30.9	Very low	33.5	Very low	116 Å²	116	136.8 Å²	136.8	75%	0.753	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.3	179.5	-24.3	34.3	0	0	0	113.2
812	H	31.6	Very low	34.3	Very low	177 Å²	177	136.4 Å²	136.4	82%	0.819	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-64	139.2	-179.6	-65.1	-8	0	0	0	112.8	I810	I810-H812 PolarHBondContact O-N 2.03Å
813	P	33	Very low	35.3	Very low	126 Å²	126	138.3 Å²	138.3	82%	0.818	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-63.4	142	177.2	-22.8	33.8	0	0	0	113.6
814	L	35	Very low	36.7	Very low	165 Å²	165	134 Å²	134	86%	0.864	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.7	175.4	-71	167.4	0	0	0	111.5
815	P	37	Very low	38.3	Very low	123 Å²	123	134.1 Å²	134.1	80%	0.799	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.6	142	177.2	-25.7	35	0	0	0	114.3
816	E	36.1	Very low	39.9	Very low	139 Å²	139	128.3 Å²	128.3	65%	0.65	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-61.3	140	177.1	-67.4	-168	160.7	0	0	111.9	R794	R794-E816 IonicContact CZ-OE1 2.91Å; R794-E816 IonicContact NH1-OE1 3.86Å; R794-E816 PolarHBondContact NH1-OE1 2.96Å; R794-E816 IonicContact NH1-OE2 3.17Å; R794-E816 PolarHBondContact NH1-OE2 2.96Å; R794-E816 IonicContact NH2-OE1 3.84Å; R794-E816 PolarHBondContact NH2-OE1 3.05Å
817	R	41.6	Very low	41.6	Very low	207 Å²	207	131.1 Å²	131.1	78%	0.781	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-67.4	138	174	-72.8	-173.6	-179.2	-178.4	2	111	K819	R817-K819 PolarHBondContact O-N 3.1Å
818	P	37.4	Very low	43.1	Very low	131 Å²	131	125.5 Å²	125.5	85%	0.851	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.2	127.3	179.9	25.9	-34.3	0	0	0	112
819	K	35.4	Very low	44.8	Very low	197 Å²	197	120.5 Å²	120.5	86%	0.857	69%	0.687	S	S	*	*			trans	-96.1	90.3	172.7	-68.9	-179.1	179.4	179.2	0	109.9	R817	R817-K819 PolarHBondContact O-N 3.1Å
820	G	47.5	Very low	46.3	Very low	55 Å²	55	122.4 Å²	122.4	57%	0.567	68%	0.683	S	S	*	*	S	Bend	trans	-156.8	154.2	174.7	0	0	0	0	0	112.3
821	P	49.6	Very low	47.9	Very low	119 Å²	119	119.9 Å²	119.9	77%	0.773	67%	0.674	S	S	*	*			trans	-68.3	133	174.5	29.2	-33.5	0	0	0	110.4	I823	P821-I823 PolarHBondContact O-N 2.04Å; P821-I823 VanDerWaalsContact O-N 3.12Å
822	V	50.7	Low	49.3	Very low	96 Å²	96	118.5 Å²	118.5	58%	0.582	66%	0.663	S	S	*	*			trans	-70.7	108.3	174.3	179.8	0	0	0	0	109	C824	V822-C824 PolarHBondContact O-N 2.98Å
823	I	55.3	Low	50.3	Low	152 Å²	152	118.6 Å²	118.6	78%	0.779	66%	0.661	S	S	*	*			trans	-73.6	118.4	174.7	-60.7	171.8	0	0	0	107.9	P821	P821-I823 PolarHBondContact O-N 2.04Å; P821-I823 VanDerWaalsContact O-N 3.12Å
824	C	60.1	Low	51	Low	10 Å²	10	115.3 Å²	115.3	7%	0.068	64%	0.64	C	S	.	*			trans	-70.8	141.7	165.9	-64.3	0	0	0	0	108.9	V822 T826 Q829 C845	V822-C824 PolarHBondContact O-N 2.98Å; C824-T826 PolarHBondContact O-N 2.9Å; C824-Q829 HydrophobicContact CB-CB 4.1Å; C824-C845 WeakPolarHBondContact CA-SG 3.37Å; C824-C845 HydrophobicContact CB-CB 3.8Å; C824-C845 WeakPolarHBondContact CB-SG 3.36Å; C824-C845 WeakPolarHBondContact SG-CB 3.25Å; C824-C845 CovalentContact SG-SG 2.04Å; C824-C845 PolarHBondContact SG-SG 2.92Å
825	P	62.8	Low	51.6	Low	109 Å²	109	112.8 Å²	112.8	71%	0.708	63%	0.631	S	S	*	*	S	Bend	trans	-66.2	-12.4	-171.1	26	-35.6	0	0	0	114.7
826	T	62.6	Low	51.8	Low	56 Å²	56	112.9 Å²	112.9	34%	0.344	63%	0.632	S	S	.	*	S	Bend	trans	-104	124.5	178.5	-17.1	0	0	0	0	110.5	C824 Q829	C824-T826 PolarHBondContact O-N 2.9Å; T826-Q829 VanDerWaalsContact CB-CD 3.49Å; T826-Q829 VanDerWaalsContact CB-OE1 3.28Å; T826-Q829 PolarHBondContact O-N 2.97Å; T826-Q829 VanDerWaalsContact OG1-CD 3.3Å; T826-Q829 PolarHBondContact OG1-OE1 3.26Å
827	P	60.1	Low	52.3	Low	128 Å²	128	113.9 Å²	113.9	83%	0.831	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	140.5	176.1	-28.4	36	0	0	0	113.2	Q829	P827-Q829 VanDerWaalsContact C-N 3.31Å; P827-Q829 PolarHBondContact O-N 2.94Å
828	G	58.3	Low	52.2	Low	84 Å²	84	107.3 Å²	107.3	87%	0.866	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.4	-13.2	178.4	0	0	0	0	0	116.2
829	Q	62.6	Low	52.1	Low	54 Å²	54	106.7 Å²	106.7	25%	0.252	63%	0.626	S	S	.	*			trans	-77.6	148.8	178.4	-66.3	-171.1	-30.8	0	0	113.2	C824 T826 P827 P846	C824-Q829 HydrophobicContact CB-CB 4.1Å; T826-Q829 VanDerWaalsContact CB-CD 3.49Å; T826-Q829 VanDerWaalsContact CB-OE1 3.28Å; T826-Q829 PolarHBondContact O-N 2.97Å; T826-Q829 VanDerWaalsContact OG1-CD 3.3Å; T826-Q829 PolarHBondContact OG1-OE1 3.26Å; P827-Q829 VanDerWaalsContact C-N 3.31Å; P827-Q829 PolarHBondContact O-N 2.94Å; Q829-P846 VanDerWaalsContact CD-O 3.31Å; Q829-P846 PolarHBondContact NE2-O 2.66Å; Q829-P846 PolarHBondContact OE1-O 3.46Å
830	R	59	Low	52.3	Low	216 Å²	216	102.6 Å²	102.6	82%	0.815	61%	0.614	S	S	*	*			trans	-121.2	139.8	174.7	-62.1	-173.6	-175.2	-170.2	1.9	110.7
831	P	60.2	Low	52.1	Low	58 Å²	58	103.9 Å²	103.9	38%	0.377	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-60.7	140.6	175.6	-23	32.3	0	0	0	113	I844	P831-I844 WeakPolarHBondContact CA-O 3.11Å
832	V	59.8	Low	52.1	Low	86 Å²	86	100.6 Å²	100.6	52%	0.521	61%	0.605	S	S	.	*	B	Isolated β-bridge	trans	-100.4	138.3	176.8	-176.4	0	0	0	0	109.8	I844 P846	V832-I844 PolarHBondContact N-O 2.85Å; V832-I844 PolarHBondContact O-N 3.42Å; V832-P846 HydrophobicContact CG2-CG 4.36Å
833	K	52.5	Low	52	Low	180 Å²	180	100.6 Å²	100.6	78%	0.783	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-95.9	126.5	179.7	-169.4	170.8	-174.5	169.8	0	110.7
834	P	47.2	Very low	52.1	Low	57 Å²	57	95.3 Å²	95.3	37%	0.37	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-68.8	164.3	179.2	28.2	-35.3	0	0	0	113.2	V842	P834-V842 WeakPolarHBondContact CD-O 3.47Å; P834-V842 WeakPolarHBondContact CG-O 3.02Å
835	T	49	Very low	51.9	Low	112 Å²	112	96 Å²	96	69%	0.687	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-70	162.8	-177.8	40.5	0	0	0	0	113.7	D837	T835-D837 PolarHBondContact O-N 3.19Å
836	P	41.3	Very low	51.6	Low	125 Å²	125	93.2 Å²	93.2	81%	0.812	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-8.6	-164	-25.4	36.6	0	0	0	118.2
837	D	45.4	Very low	51.2	Low	159 Å²	159	93.3 Å²	93.3	85%	0.85	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	10.2	-172.6	-60.5	-50	0	0	0	114.6	T835	T835-D837 PolarHBondContact O-N 3.19Å
838	S	39.8	Very low	50.9	Low	69 Å²	69	95.3 Å²	95.3	48%	0.483	56%	0.559	S	S	.	*			trans	-101.6	116.9	171.4	-177	0	0	0	0	111.5	N840	S838-N840 PolarHBondContact O-N 3Å; S838-N840 PolarHBondContact OG-N 2.89Å; S838-N840 PolarHBondContact OG-O 3.41Å
839	S	35.7	Very low	50.9	Low	119 Å²	119	98.3 Å²	98.3	83%	0.832	56%	0.555	S	S	*	*	S	Bend	trans	-70.4	-14.7	174.8	60.5	0	0	0	0	114
840	N	39.7	Very low	50.2	Low	110 Å²	110	102.9 Å²	102.9	59%	0.588	58%	0.581	S	S	*	*	S	Bend	trans	-110.4	115.7	-177.8	-64.1	7.6	0	0	0	109	S838 V842	S838-N840 PolarHBondContact O-N 3Å; S838-N840 PolarHBondContact OG-N 2.89Å; S838-N840 PolarHBondContact OG-O 3.41Å; N840-V842 VanDerWaalsContact C-N 3.28Å; N840-V842 PolarHBondContact O-N 2.95Å
841	G	42.5	Very low	49.4	Very low	83 Å²	83	95.3 Å²	95.3	86%	0.856	57%	0.565	S	S	*	*			trans	-78.1	57.3	-168.5	0	0	0	0	0	115.7
842	V	49.4	Very low	48.7	Very low	49 Å²	49	97.8 Å²	97.8	30%	0.297	57%	0.574	S	S	.	*			trans	-72.8	132.3	177.6	179.9	0	0	0	0	111	P834 N840 I854	P834-V842 WeakPolarHBondContact CD-O 3.47Å; P834-V842 WeakPolarHBondContact CG-O 3.02Å; N840-V842 VanDerWaalsContact C-N 3.28Å; N840-V842 PolarHBondContact O-N 2.95Å; V842-I854 HydrophobicContact CG1-CB 4.36Å; V842-I854 HydrophobicContact CG1-CD1 4.44Å; V842-I854 HydrophobicContact CG1-CG1 4.04Å; V842-I854 HydrophobicContact CG1-CG2 3.87Å; V842-I854 HydrophobicContact CG2-CG2 4.28Å
843	L	50	Low	48	Very low	97 Å²	97	100.4 Å²	100.4	51%	0.508	58%	0.58	S	S	.	*			trans	-94.2	148.4	169.4	-77.4	166.7	0	0	0	110.6
844	I	55.6	Low	47.6	Very low	41 Å²	41	97 Å²	97	21%	0.21	57%	0.57	C	S	.	*	B	Isolated β-bridge	trans	-128.4	125.7	-174.7	-60.5	174.1	0	0	0	110.1	P831 V832 I852	P831-I844 WeakPolarHBondContact CA-O 3.11Å; V832-I844 PolarHBondContact N-O 2.85Å; V832-I844 PolarHBondContact O-N 3.42Å; I844-I852 HydrophobicContact CD1-CD1 4.39Å; I844-I852 HydrophobicContact CD1-CG2 3.96Å; I844-I852 HydrophobicContact CG1-CG2 3.99Å; I844-I852 HydrophobicContact CG2-CB 4.45Å; I844-I852 HydrophobicContact CG2-CG1 4.14Å; I844-I852 HydrophobicContact CG2-CG2 3.98Å
845	C	55.9	Low	47.3	Very low	24 Å²	24	100.3 Å²	100.3	16%	0.162	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-91.4	126.2	161.9	-70.4	0	0	0	0	109	C824	C824-C845 WeakPolarHBondContact CA-SG 3.37Å; C824-C845 HydrophobicContact CB-CB 3.8Å; C824-C845 WeakPolarHBondContact CB-SG 3.36Å; C824-C845 WeakPolarHBondContact SG-CB 3.25Å; C824-C845 CovalentContact SG-SG 2.04Å; C824-C845 PolarHBondContact SG-SG 2.92Å
846	P	57.3	Low	47	Very low	51 Å²	51	100.5 Å²	100.5	33%	0.331	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-80.5	124	177.7	31	-32.4	0	0	0	111.4	Q829 V832	Q829-P846 VanDerWaalsContact CD-O 3.31Å; Q829-P846 PolarHBondContact NE2-O 2.66Å; Q829-P846 PolarHBondContact OE1-O 3.46Å; V832-P846 HydrophobicContact CG2-CG 4.36Å
847	T	55.2	Low	46.5	Very low	57 Å²	57	100.9 Å²	100.9	35%	0.35	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-81.7	163.3	169.1	54.7	0	0	0	0	110.9	D849 N850 A851	T847-D849 PolarHBondContact O-N 3.19Å; T847-N850 PolarHBondContact O-N 3.37Å; T847-A851 WeakPolarHBondContact OG1-CA 3.33Å; T847-A851 WeakPolarHBondContact OG1-CB 3.32Å; T847-A851 PolarHBondContact OG1-N 3.49Å; T847-A851 PolarHBondContact OG1-O 3.43Å
848	H	53.6	Low	46.2	Very low	171 Å²	171	99.1 Å²	99.1	79%	0.792	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-25.8	174.9	-89.8	-62.4	0	0	0	113.1
849	D	57.6	Low	46	Very low	146 Å²	146	102.5 Å²	102.5	78%	0.781	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	21.2	-178.3	-58.2	-52.5	0	0	0	114.4	T847 A851	T847-D849 PolarHBondContact O-N 3.19Å; D849-A851 PolarHBondContact O-N 3.14Å
850	N	48.1	Very low	45.9	Very low	151 Å²	151	102.8 Å²	102.8	81%	0.807	60%	0.6	S	S	*	*			trans	58	12.5	-176.3	-73.8	-60.3	0	0	0	115.8	T847	T847-N850 PolarHBondContact O-N 3.37Å
851	A	41.9	Very low	45.4	Very low	56 Å²	56	105.7 Å²	105.7	46%	0.463	62%	0.615	S	S	.	*			trans	-77.7	140.4	177.9	0	0	0	0	0	112.2	T847 D849	T847-A851 WeakPolarHBondContact OG1-CA 3.33Å; T847-A851 WeakPolarHBondContact OG1-CB 3.32Å; T847-A851 PolarHBondContact OG1-N 3.49Å; T847-A851 PolarHBondContact OG1-O 3.43Å; D849-A851 PolarHBondContact O-N 3.14Å
852	I	44.5	Very low	45.1	Very low	111 Å²	111	107.5 Å²	107.5	57%	0.569	61%	0.611	S	S	*	*			trans	-107.6	132	-175.7	-63.9	171	0	0	0	109.9	I844 I854	I844-I852 HydrophobicContact CD1-CD1 4.39Å; I844-I852 HydrophobicContact CD1-CG2 3.96Å; I844-I852 HydrophobicContact CG1-CG2 3.99Å; I844-I852 HydrophobicContact CG2-CB 4.45Å; I844-I852 HydrophobicContact CG2-CG1 4.14Å; I844-I852 HydrophobicContact CG2-CG2 3.98Å; I852-I854 HydrophobicContact CG2-CD1 4.47Å; I852-I854 HydrophobicContact CG2-CG1 4.12Å
853	Q	45.2	Very low	44.3	Very low	141 Å²	141	112.1 Å²	112.1	66%	0.659	64%	0.64	S	S	*	*			trans	-112.2	143.5	175	-151.2	172.4	21.9	0	0	110.7
854	I	45.5	Very low	43.8	Very low	109 Å²	109	111.5 Å²	111.5	56%	0.559	65%	0.649	S	S	*	*			trans	-136.1	139.6	-171.9	-57.5	-175.8	0	0	0	109.6	V842 I852	V842-I854 HydrophobicContact CG1-CB 4.36Å; V842-I854 HydrophobicContact CG1-CD1 4.44Å; V842-I854 HydrophobicContact CG1-CG1 4.04Å; V842-I854 HydrophobicContact CG1-CG2 3.87Å; V842-I854 HydrophobicContact CG2-CG2 4.28Å; I852-I854 HydrophobicContact CG2-CD1 4.47Å; I852-I854 HydrophobicContact CG2-CG1 4.12Å
855	V	40.9	Very low	43.1	Very low	126 Å²	126	114.2 Å²	114.2	76%	0.764	66%	0.661	S	S	*	*			trans	-124.4	121	-176.3	-173.9	0	0	0	0	111.2
856	P	42.3	Very low	42.3	Very low	116 Å²	116	117.8 Å²	117.8	75%	0.753	67%	0.671	S	S	*	*			trans	-93.6	169.3	177.5	-4.9	25.1	0	0	0	115
857	L	31.5	Very low	41.5	Very low	133 Å²	133	117.8 Å²	117.8	70%	0.696	67%	0.671	S	S	*	*			trans	-127.7	157.2	171	-82.8	86.2	0	0	0	111.4
858	P	37.2	Very low	40.6	Very low	121 Å²	121	115.1 Å²	115.1	79%	0.786	66%	0.655	S	S	*	*			trans	-92.6	174	-171.7	37.1	-37.6	0	0	0	116.3
859	T	36.2	Very low	40.1	Very low	141 Å²	141	107.9 Å²	107.9	87%	0.865	62%	0.624	S	S	*	*			trans	-146.7	163.7	-179.3	30.5	0	0	0	0	112.7
860	P	33.5	Very low	39.3	Very low	124 Å²	124	102.5 Å²	102.5	81%	0.805	60%	0.598	S	S	*	*			trans	-99.7	-175.3	-157.8	39.7	-38.4	0	0	0	118.4
861	L	30.8	Very low	38.9	Very low	171 Å²	171	101.1 Å²	101.1	90%	0.895	59%	0.59	S	S	*	*			trans	-99.1	164.6	-165.3	-71.6	160.6	0	0	0	116.4
862	P	34.3	Very low	38.5	Very low	121 Å²	121	100.6 Å²	100.6	79%	0.786	58%	0.577	S	S	*	*			trans	-107.4	-178.7	-178.1	41.6	-35.5	0	0	0	117
863	T	34.3	Very low	37.7	Very low	146 Å²	146	97.8 Å²	97.8	90%	0.896	57%	0.571	S	S	*	*			trans	-98	177.9	-161	-15.4	0	0	0	0	117.4
864	A	38.4	Very low	37	Very low	84 Å²	84	96 Å²	96	69%	0.694	57%	0.569	S	S	*	*			trans	-82.7	179.3	-164.5	0	0	0	0	0	118.5
865	E	41.5	Very low	36.3	Very low	98 Å²	98	99.2 Å²	99.2	46%	0.458	59%	0.588	S	S	.	*			trans	-132.9	163.2	-163.4	-60.2	174.1	-171.8	0	0	114	K261	K261-E865 WeakPolarHBondContact CE-OE2 3.23Å; K261-E865 IonicContact NZ-OE1 2.72Å; K261-E865 PolarHBondContact NZ-OE1 3.26Å; K261-E865 IonicContact NZ-OE2 2.84Å; K261-E865 PolarHBondContact NZ-OE2 3.34Å
866	Y	39.4	Very low	35.7	Very low	100 Å²	100	99.7 Å²	99.7	39%	0.392	58%	0.583	S	S	.	*			trans	-132.4	154.8	175.1	-114.4	-109	0	0	0	112.9	K254 H1076	K254-Y866 PolarHBondContact NZ-O 3.07Å; Y866-H1076 HydrophobicContact CD2-CB 4.2Å; Y866-H1076 AromaticContact CD2-CD2 3.88Å; Y866-H1076 AromaticContact CD2-CG 3.81Å; Y866-H1076 HydrophobicContact CG-CB 4.29Å
867	P	38.9	Very low	35	Very low	51 Å²	51	100.4 Å²	100.4	33%	0.331	59%	0.585	S	S	.	*			trans	-86.5	162.6	164.2	35.3	-33.2	0	0	0	112.5
868	S	36.4	Very low	34.7	Very low	0 Å²	0	99.9 Å²	99.9	0%	0	58%	0.582	C	S	.	*			trans	-81.7	128.5	171.5	42.2	0	0	0	0	110.5	S870	S868-S870 PolarHBondContact O-N 3.31Å
869	S	44	Very low	34.1	Very low	20 Å²	20	101 Å²	101	14%	0.14	58%	0.58	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	24.6	-167	39.6	0	0	0	0	115.8	T1045	S869-T1045 PolarHBondContact OG-O 3.09Å
870	S	41.8	Very low	33.6	Very low	33 Å²	33	99.1 Å²	99.1	23%	0.231	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	-134.9	0.3	-170.1	42.2	0	0	0	0	115.4	S868 I1029 G1030 I1081	S868-S870 PolarHBondContact O-N 3.31Å; S870-I1029 PolarHBondContact OG-O 2.93Å; S870-G1030 WeakPolarHBondContact OG-CA 3.38Å; S870-I1081 WeakPolarHBondContact OG-CD1 3.36Å
871	L	38.8	Very low	33.2	Very low	122 Å²	122	98.5 Å²	98.5	64%	0.639	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	-30	171	-91	105	0	0	0	115.1	I1081	L871-I1081 HydrophobicContact CD1-CB 4.4Å; L871-I1081 HydrophobicContact CD1-CD1 3.56Å
872	E	32.8	Very low	33.1	Very low	44 Å²	44	97.5 Å²	97.5	21%	0.206	56%	0.564	C	S	.	*	S	Bend	trans	-125.8	11.9	-162.5	-71.4	159.7	-161.2	0	0	113.8	K1079	E872-K1079 IonicContact OE1-NZ 2.69Å; E872-K1079 PolarHBondContact OE1-NZ 2.84Å; E872-K1079 IonicContact OE2-NZ 2.68Å
873	A	28.9	Very low	32.9	Very low	53 Å²	53	94.6 Å²	94.6	44%	0.438	55%	0.545	S	S	.	.			trans	-118.8	12.2	-157.4	0	0	0	0	0	117.4
874	V	30.2	Very low	32.6	Very low	102 Å²	102	97.9 Å²	97.9	62%	0.618	55%	0.547	S	S	*	.			trans	-139.3	112.1	168.7	-164.4	0	0	0	0	110.4	M876	V874-M876 HydrophobicContact CG1-CB 4.48Å; V874-M876 WeakPolarHBondContact CG1-O 3.34Å; V874-M876 PolarHBondContact O-N 3.47Å
875	N	30.3	Very low	32.4	Very low	177 Å²	177	101.8 Å²	101.8	95%	0.947	55%	0.545	S	S	*	.	S	Bend	trans	-77.2	28	175.4	-105.1	9.5	0	0	0	113.5
876	M	28.3	Very low	31.9	Very low	136 Å²	136	103 Å²	103	67%	0.67	56%	0.555	S	S	*	*	S	Bend	trans	-145.6	121.4	167.4	-73.7	-155.6	-58.6	0	0	108.4	V874 I878	V874-M876 HydrophobicContact CG1-CB 4.48Å; V874-M876 WeakPolarHBondContact CG1-O 3.34Å; V874-M876 PolarHBondContact O-N 3.47Å; M876-I878 VanDerWaalsContact C-N 3.29Å; M876-I878 PolarHBondContact O-N 2.82Å
877	V	26.9	Very low	31.7	Very low	132 Å²	132	105 Å²	105	80%	0.8	57%	0.571	S	S	*	*			trans	-76.4	84.1	173	-177	0	0	0	0	108.7	L879	V877-L879 HydrophobicContact CG1-CD1 3.94Å; V877-L879 HydrophobicContact CG1-CG 4.05Å; V877-L879 PolarHBondContact O-N 2.82Å
878	I	25.7	Very low	31.3	Very low	121 Å²	121	106 Å²	106	62%	0.621	58%	0.58	S	S	*	*			trans	-77.9	96	158.8	-56.5	178.2	0	0	0	106.1	M876 P880	M876-I878 VanDerWaalsContact C-N 3.29Å; M876-I878 PolarHBondContact O-N 2.82Å; I878-P880 WeakPolarHBondContact O-CD 3.39Å
879	L	24.8	Very low	31.1	Very low	144 Å²	144	111.5 Å²	111.5	75%	0.754	61%	0.609	S	S	*	*			trans	-66.3	109.5	157.9	-82.9	134.6	0	0	0	107.2	V877 S881	V877-L879 HydrophobicContact CG1-CD1 3.94Å; V877-L879 HydrophobicContact CG1-CG 4.05Å; V877-L879 PolarHBondContact O-N 2.82Å; L879-S881 PolarHBondContact O-N 2.93Å; L879-S881 VanDerWaalsContact O-N 3.15Å
880	P	25.4	Very low	30.7	Very low	102 Å²	102	119.3 Å²	119.3	66%	0.662	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62.2	119.7	157.2	29.4	-31.7	0	0	0	105.5	I878 L882	I878-P880 WeakPolarHBondContact O-CD 3.39Å; P880-L882 PolarHBondContact O-N 3.05Å
881	S	25.2	Very low	30.3	Very low	112 Å²	112	121.8 Å²	121.8	78%	0.783	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55	116.1	174.8	39.4	0	0	0	0	108.1	L879 P883	L879-S881 PolarHBondContact O-N 2.93Å; L879-S881 VanDerWaalsContact O-N 3.15Å; S881-P883 VanDerWaalsContact O-CD 3.3Å; S881-P883 WeakPolarHBondContact O-CD 2.94Å
882	L	28.5	Very low	30.1	Very low	150 Å²	150	119.4 Å²	119.4	79%	0.785	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-54.6	116.3	175	-79.2	168.4	0	0	0	106.5	P880 K884	P880-L882 PolarHBondContact O-N 3.05Å; L882-K884 PolarHBondContact O-N 2.04Å
883	P	29.9	Very low	30.2	Very low	60 Å²	60	121.5 Å²	121.5	39%	0.39	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-59.6	138.7	172.8	27.1	-32.2	0	0	0	106.4	S881 Y885	S881-P883 VanDerWaalsContact O-CD 3.3Å; S881-P883 WeakPolarHBondContact O-CD 2.94Å; P883-Y885 VanDerWaalsContact C-N 3.31Å; P883-Y885 HydrophobicContact CG-CD2 4.37Å; P883-Y885 HydrophobicContact CG-CE1 4.46Å; P883-Y885 HydrophobicContact CG-CE2 3.73Å; P883-Y885 WeakPolarHBondContact O-CD2 3.46Å; P883-Y885 PolarHBondContact O-N 3.08Å
884	K	28.6	Very low	30.7	Very low	214 Å²	214	124.2 Å²	124.2	93%	0.93	68%	0.676	S	S	*	*			trans	-62.6	101	172.3	-70.9	-172.8	176.5	-174.2	0	107.1	L882 D886	L882-K884 PolarHBondContact O-N 2.04Å; K884-D886 PolarHBondContact O-N 3.41Å
885	Y	34.2	Very low	31.2	Very low	167 Å²	167	120.9 Å²	120.9	66%	0.655	65%	0.654	S	S	*	*			trans	-66.1	128.1	175.7	-75.4	-84.1	0	0	0	107.9	P883	P883-Y885 VanDerWaalsContact C-N 3.31Å; P883-Y885 HydrophobicContact CG-CD2 4.37Å; P883-Y885 HydrophobicContact CG-CE1 4.46Å; P883-Y885 HydrophobicContact CG-CE2 3.73Å; P883-Y885 WeakPolarHBondContact O-CD2 3.46Å; P883-Y885 PolarHBondContact O-N 3.08Å
886	D	30	Very low	31.7	Very low	124 Å²	124	117.5 Å²	117.5	66%	0.663	63%	0.633	S	S	*	*			trans	-71.5	130.3	169.1	-167.5	7.3	0	0	0	108.1	K884 S888	K884-D886 PolarHBondContact O-N 3.41Å; D886-S888 VanDerWaalsContact C-N 3.32Å; D886-S888 WeakPolarHBondContact OD1-CB 3.22Å; D886-S888 PolarHBondContact OD1-N 2.82Å; D886-S888 PolarHBondContact OD1-OG 3.21Å; D886-S888 WeakPolarHBondContact OD2-CB 3.14Å; D886-S888 PolarHBondContact OD2-OG 3.09Å
887	L	35.7	Very low	32.1	Very low	141 Å²	141	113.8 Å²	113.8	74%	0.738	61%	0.613	S	S	*	*			trans	-99.3	16.4	-179.1	-66.7	171.9	0	0	0	111.1	I892	L887-I892 HydrophobicContact CD2-CD1 4Å
888	S	31.2	Very low	33	Very low	72 Å²	72	108.7 Å²	108.7	50%	0.503	58%	0.581	S	S	.	*			trans	-67.9	-35.4	177.6	56.2	0	0	0	0	113.4	D886 Q890	D886-S888 VanDerWaalsContact C-N 3.32Å; D886-S888 WeakPolarHBondContact OD1-CB 3.22Å; D886-S888 PolarHBondContact OD1-N 2.82Å; D886-S888 PolarHBondContact OD1-OG 3.21Å; D886-S888 WeakPolarHBondContact OD2-CB 3.14Å; D886-S888 PolarHBondContact OD2-OG 3.09Å; S888-Q890 PolarHBondContact O-N 3.35Å
889	D	32.5	Very low	33.1	Very low	115 Å²	115	110.7 Å²	110.7	62%	0.615	59%	0.593	S	S	*	*			trans	-78.9	113.8	178.5	-78	-31.6	0	0	0	111.9	T891	D889-T891 PolarHBondContact O-N 2.74Å
890	Q	34.1	Very low	33.6	Very low	184 Å²	184	107.4 Å²	107.4	86%	0.86	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-66.1	1.7	-176.9	-65.3	179.2	-17.2	0	0	115.2	S888 I892	S888-Q890 PolarHBondContact O-N 3.35Å; Q890-I892 VanDerWaalsContact C-N 3.28Å; Q890-I892 PolarHBondContact O-N 3.09Å
891	T	34.3	Very low	33.7	Very low	85 Å²	85	110.5 Å²	110.5	52%	0.521	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-78.1	-2.4	-171.7	61.4	0	0	0	0	115.2	D889 A893	D889-T891 PolarHBondContact O-N 2.74Å; T891-A893 VanDerWaalsContact C-N 3.34Å
892	I	34.4	Very low	33.6	Very low	72 Å²	72	111.6 Å²	111.6	37%	0.369	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-81.2	-15	-178.5	-59.7	174.6	0	0	0	111.9	L887 Q890	L887-I892 HydrophobicContact CD2-CD1 4Å; Q890-I892 VanDerWaalsContact C-N 3.28Å; Q890-I892 PolarHBondContact O-N 3.09Å
893	A	35.1	Very low	33.5	Very low	88 Å²	88	111.3 Å²	111.3	73%	0.727	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-19.3	-172.5	0	0	0	0	0	115.7	T891 H895	T891-A893 VanDerWaalsContact C-N 3.34Å; A893-H895 VanDerWaalsContact C-N 3.31Å; A893-H895 PolarHBondContact O-N 2.82Å
894	D	40.3	Very low	33.1	Very low	110 Å²	110	115.7 Å²	115.7	59%	0.588	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-8	-163.1	-68.1	-29.5	0	0	0	116	Q1145	D894-Q1145 PolarHBondContact O-NE2 2.98Å
895	H	40.8	Very low	33	Very low	32 Å²	32	112.2 Å²	112.2	15%	0.148	60%	0.595	C	S	.	*	S	Bend	trans	-153.1	146.9	-174.7	56.4	-77.9	0	0	0	114.6	A893 H897 V1148	A893-H895 VanDerWaalsContact C-N 3.31Å; A893-H895 PolarHBondContact O-N 2.82Å; H895-H897 AromaticContact NE2-NE2 3.59Å; H895-H897 PolarHBondContact O-N 2.68Å; H895-V1148 HydrophobicContact CB-CG1 3.73Å
896	E	39	Very low	32.5	Very low	107 Å²	107	107.3 Å²	107.3	50%	0.5	60%	0.596	S	S	.	*			trans	-68.6	101.3	179.3	-170.6	-166.5	-146.8	0	0	110.9	I898 R1115	E896-I898 PolarHBondContact O-N 3.17Å; E896-R1115 IonicContact OE1-NH1 2.69Å; E896-R1115 VanDerWaalsContact OE2-CD 3.27Å; E896-R1115 WeakPolarHBondContact OE2-CD 3.36Å; E896-R1115 IonicContact OE2-CZ 3.43Å; E896-R1115 IonicContact OE2-NH1 3.43Å; E896-R1115 PolarHBondContact OE2-NH1 3.5Å
897	H	37.3	Very low	32.2	Very low	58 Å²	58	111 Å²	111	27%	0.269	61%	0.609	S	S	.	*	B	Isolated β-bridge	trans	-67.7	121.5	164.2	-86.4	-81.5	0	0	0	110.2	H895 L899	H895-H897 AromaticContact NE2-NE2 3.59Å; H895-H897 PolarHBondContact O-N 2.68Å; H897-L899 PolarHBondContact O-N 2.8Å; H897-L899 VanDerWaalsContact O-N 3.09Å
898	I	45.3	Very low	31.6	Very low	24 Å²	24	110 Å²	110	12%	0.123	61%	0.613	C	S	.	*			trans	-77.9	101.4	174.6	-50.1	179.4	0	0	0	108.6	E896 V900 G976 A977 P1113 R1115	E896-I898 PolarHBondContact O-N 3.17Å; I898-V900 PolarHBondContact O-N 3.14Å; I898-G976 VanDerWaalsContact CD1-C 3.43Å; I898-G976 WeakPolarHBondContact CD1-O 3.34Å; I898-A977 HydrophobicContact CD1-CB 3.61Å; I898-P1113 HydrophobicContact CB-CG 4.43Å; I898-P1113 PolarHBondContact N-O 3.38Å; I898-R1115 HydrophobicContact CD1-CG 4.14Å
899	L	29.2	Very low	31.3	Very low	164 Å²	164	110.7 Å²	110.7	86%	0.859	62%	0.624	S	S	*	*			trans	-63.5	103.9	161.3	-73.5	171.2	0	0	0	108.5	H897 Q901	H897-L899 PolarHBondContact O-N 2.8Å; H897-L899 VanDerWaalsContact O-N 3.09Å; L899-Q901 PolarHBondContact O-N 2.73Å
900	V	33.9	Very low	31	Very low	74 Å²	74	113 Å²	113	45%	0.448	63%	0.634	S	S	.	*			trans	-70.8	111.4	165.2	-179.6	0	0	0	0	106	I898 D902 P1113	I898-V900 PolarHBondContact O-N 3.14Å; V900-D902 PolarHBondContact O-N 3.05Å; V900-D902 VanDerWaalsContact O-N 3.12Å; V900-P1113 HydrophobicContact CG2-CG 4.43Å
901	Q	27.2	Very low	30.6	Very low	167 Å²	167	108.1 Å²	108.1	78%	0.78	63%	0.626	S	S	*	*			trans	-77	102.7	-173.3	-163.1	167.8	14.4	0	0	109.8	L899 N903	L899-Q901 PolarHBondContact O-N 2.73Å; Q901-N903 VanDerWaalsContact C-N 3.33Å; Q901-N903 PolarHBondContact O-N 3.24Å
902	D	24.8	Very low	30.2	Very low	135 Å²	135	114.4 Å²	114.4	72%	0.722	65%	0.646	S	S	*	*			trans	-68.3	86.2	178.4	-73.3	-36.1	0	0	0	110.7	V900 I904	V900-D902 PolarHBondContact O-N 3.05Å; V900-D902 VanDerWaalsContact O-N 3.12Å; D902-I904 PolarHBondContact O-N 3.31Å
903	N	25.1	Very low	29.8	Very low	145 Å²	145	114.9 Å²	114.9	78%	0.775	67%	0.668	S	S	*	*			trans	-73.3	67.3	174.1	-80.6	4.5	0	0	0	111.6	Q901	Q901-N903 VanDerWaalsContact C-N 3.33Å; Q901-N903 PolarHBondContact O-N 3.24Å
904	I	23	Very low	29.3	Very low	151 Å²	151	122.1 Å²	122.1	77%	0.774	68%	0.677	S	S	*	*			trans	-76.9	117.2	155.6	-54.2	172	0	0	0	107.1	D902	D902-I904 PolarHBondContact O-N 3.31Å
905	V	25.6	Very low	28.6	Very low	141 Å²	141	124 Å²	124	86%	0.855	69%	0.692	S	S	*	*			trans	179.6	140.2	149.5	141.3	0	0	0	0	107.7
906	G	24.1	Very low	27.9	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	73%	0.725	S	S	*	*			trans	-84.6	174.3	-172.3	0	0	0	0	0	115.4	S908	G906-S908 PolarHBondContact O-N 2.94Å
907	E	22.3	Very low	27.3	Very low	202 Å²	202	128 Å²	128	94%	0.944	74%	0.742	S	S	*	*			trans	-67.6	124.8	175.6	-63.3	-180	103.3	0	0	112.4
908	S	23.2	Very low	26.7	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	77%	0.765	S	S	*	*			trans	-166.6	152.1	146.9	33.4	0	0	0	0	113.5	G906	G906-S908 PolarHBondContact O-N 2.94Å
909	A	25.9	Very low	25.8	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	80%	0.801	S	S	*	*			trans	64.3	92.5	159	0	0	0	0	0	121.8
910	I	26.7	Very low	25.8	Very low	163 Å²	163	136.9 Å²	136.9	84%	0.836	80%	0.798	S	S	*	*				64.7	91.7	118.8	-58.2	157.1	0	0	0	119.3
911	A	25.6	Very low	25.4	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	82%	0.816	S	S	*	*				61.4	133.3	117.7	0	0	0	0	0	124.1
912	K	25.8	Very low	25.4	Very low	216 Å²	216	135.9 Å²	135.9	94%	0.939	81%	0.809	S	S	*	*			trans	73.4	112	156.8	-59.2	170.8	-175.8	168.9	0	118.6
913	G	26	Very low	25.5	Very low	82 Å²	82	137.2 Å²	137.2	85%	0.845	82%	0.815	S	S	*	*			trans	-178.4	130.6	156.4	0	0	0	0	0	113.2
914	R	24.9	Very low	25.7	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.909	81%	0.811	S	S	*	*			trans	-102.9	125.7	160.6	-88.5	177.5	166.5	169	-6.5	107.4
915	T	25.9	Very low	25.9	Very low	148 Å²	148	135.9 Å²	135.9	91%	0.908	81%	0.809	S	S	*	*				-171.7	158.8	126.5	20.3	0	0	0	0	109.6
916	A	25.3	Very low	26.2	Very low	102 Å²	102	135.2 Å²	135.2	84%	0.843	81%	0.811	S	S	*	*			trans	-98.2	133.5	167.6	0	0	0	0	0	109.4
917	S	25.4	Very low	26.2	Very low	123 Å²	123	139.3 Å²	139.3	86%	0.86	81%	0.814	S	S	*	*			trans	-152.5	162.3	158.4	-166.8	0	0	0	0	108.3
918	C	25.1	Very low	26.4	Very low	110 Å²	110	137.4 Å²	137.4	74%	0.743	81%	0.805	S	S	*	*			trans	-85.6	147.3	178.4	-56.6	0	0	0	0	111.3
919	D	27.6	Very low	26.6	Very low	166 Å²	166	137 Å²	137	89%	0.888	80%	0.802	S	S	*	*			trans	-136.8	126.4	150.2	-83.6	-54.9	0	0	0	107.8
920	I	27.6	Very low	26.7	Very low	155 Å²	155	140.7 Å²	140.7	80%	0.795	81%	0.809	S	S	*	*			trans	-124.1	120.5	169.7	-64	176.8	0	0	0	105.6	G922	I920-G922 PolarHBondContact O-N 3.17Å
921	I	26.7	Very low	26.8	Very low	158 Å²	158	140.9 Å²	140.9	81%	0.81	81%	0.81	S	S	*	*			trans	-78.8	78.9	173.6	-55.6	179.3	0	0	0	108.1	I923	I921-I923 HydrophobicContact CG2-CG1 4.14Å
922	G	25.9	Very low	27.2	Very low	63 Å²	63	143.3 Å²	143.3	65%	0.649	82%	0.819	S	S	*	*			trans	-81.7	111.4	164	0	0	0	0	0	109.1	I920	I920-G922 PolarHBondContact O-N 3.17Å
923	I	28.6	Very low	27.3	Very low	162 Å²	162	136.2 Å²	136.2	83%	0.831	81%	0.808	S	S	*	*			trans	-90.4	105.9	169.6	-59.1	177	0	0	0	106.9	I921	I921-I923 HydrophobicContact CG2-CG1 4.14Å
924	D	27.6	Very low	27.5	Very low	130 Å²	130	142.6 Å²	142.6	70%	0.695	81%	0.812	S	S	*	*			trans	-117.7	129	175.5	-164.6	54	0	0	0	110.8
925	N	27.9	Very low	27.8	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	81%	0.807	S	S	*	*			trans	42.7	94.4	160.7	-64	-47.4	0	0	0	120.2
926	S	31.4	Very low	27.9	Very low	128 Å²	128	134.7 Å²	134.7	90%	0.895	80%	0.8	S	S	*	*			trans	-153.2	149.1	137	-165.7	0	0	0	0	112
927	M	25.7	Very low	28.1	Very low	151 Å²	151	133.4 Å²	133.4	74%	0.744	80%	0.796	S	S	*	*			trans	-105.9	138.1	-169.9	-72.5	172.2	61.1	0	0	114.1
928	H	25.9	Very low	28.2	Very low	162 Å²	162	136.6 Å²	136.6	75%	0.75	80%	0.798	S	S	*	*			trans	63.8	157.5	152.5	-65.5	-46.5	0	0	0	121.1
929	S	27.3	Very low	28.3	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	80%	0.797	S	S	*	*			trans	70.3	138.2	178	83.4	0	0	0	0	114.3
930	L	27.3	Very low	28.3	Very low	166 Å²	166	138.2 Å²	138.2	87%	0.869	80%	0.796	S	S	*	*			cis	-135.1	153.3	9.2	-69.4	161.9	0	0	0	112.2
931	L	29.1	Very low	28.2	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	79%	0.791	S	S	*	*			trans	-110.1	145.8	159.9	-75.2	169.3	0	0	0	107.9
932	P	34	Very low	28.2	Very low	133 Å²	133	134.8 Å²	134.8	86%	0.864	80%	0.797	S	S	*	*				-150.6	-175.6	86.6	36	-15.2	0	0	0	113.9
933	G	27.5	Very low	28.4	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	81%	0.809	S	S	*	*			cis	161	98.9	-15.1	0	0	0	0	0	116.9
934	K	30.9	Very low	28.3	Very low	216 Å²	216	141.4 Å²	141.4	94%	0.939	81%	0.811	S	S	*	*			trans	69.8	157	153.9	-67.5	-175	175.5	-179.2	0	122.6
935	S	30.8	Very low	28.3	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	82%	0.815	S	S	*	*			trans	80.1	144.3	161.2	-115.2	0	0	0	0	119.4
936	S	27.8	Very low	28.1	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	80%	0.803	S	S	*	*			cis	-177.1	145.4	-28.4	44.3	0	0	0	0	111.3
937	G	30.8	Very low	27.9	Very low	74 Å²	74	143.2 Å²	143.2	76%	0.763	80%	0.8	S	S	*	*			trans	97	124.5	177.4	0	0	0	0	0	112
938	E	26.1	Very low	28.1	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	80%	0.802	S	S	*	*			cis	97.7	146.7	29.3	-164.6	172.2	-152.5	0	0	114
939	I	27.7	Very low	28.2	Very low	142 Å²	142	141.5 Å²	141.5	73%	0.728	80%	0.804	S	S	*	*			trans	99.5	97	173.4	-54.6	-175.4	0	0	0	117.3
940	I	27.3	Very low	28	Very low	168 Å²	168	142.8 Å²	142.8	86%	0.862	80%	0.802	S	S	*	*			trans	47.1	129.2	132	-51.3	172.9	0	0	0	120.1
941	G	26.4	Very low	28.3	Very low	68 Å²	68	141.3 Å²	141.3	70%	0.701	80%	0.8	S	S	*	*			trans	156.3	112.8	148.1	0	0	0	0	0	114.8
942	N	26	Very low	28.1	Very low	172 Å²	172	139.2 Å²	139.2	92%	0.92	79%	0.794	S	S	*	*			trans	-87.2	125.6	170.5	-61.8	-25.4	0	0	0	110
943	E	30	Very low	27.8	Very low	196 Å²	196	142.5 Å²	142.5	92%	0.916	80%	0.798	S	S	*	*			trans	-156.3	155.4	145.2	-128.3	167.4	-168.7	0	0	111.1
944	I	27.1	Very low	27.6	Very low	168 Å²	168	143.9 Å²	143.9	86%	0.862	80%	0.803	S	S	*	*			trans	-124.7	110.6	-175.5	-58.7	173.7	0	0	0	108.8
945	D	26.8	Very low	27.4	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	80%	0.803	S	S	*	*			trans	-147	-169.6	156.7	-161	1.4	0	0	0	109.8
946	S	24.4	Very low	27	Very low	70 Å²	70	145.4 Å²	145.4	49%	0.49	81%	0.806	S	S	.	*			trans	-117.4	165.5	-140.3	53.2	0	0	0	0	115.2
947	R	27.7	Very low	27	Very low	219 Å²	219	147 Å²	147	83%	0.826	81%	0.811	S	S	*	*			trans	112.3	132.6	153.1	-59.2	157.6	-154.3	-135.3	5.9	117.3
948	I	28.6	Very low	26.8	Very low	154 Å²	154	149.4 Å²	149.4	79%	0.79	81%	0.811	S	S	*	*			trans	-17.3	149.5	154.2	-2.2	175.8	0	0	0	116.7
949	P	27.8	Very low	26.8	Very low	123 Å²	123	146 Å²	146	80%	0.799	81%	0.805	S	S	*	*				-131.5	168.5	97	38.8	-31.7	0	0	0	115.4
950	D	24.7	Very low	26.8	Very low	134 Å²	134	145.5 Å²	145.5	72%	0.717	81%	0.813	S	S	*	*			trans	-104.9	146.2	-176.7	-178.1	18.4	0	0	0	111
951	V	32.2	Very low	27	Very low	135 Å²	135	144.3 Å²	144.3	82%	0.818	81%	0.813	S	S	*	*			trans	-146.5	102.1	175.2	-175.8	0	0	0	0	110.5
952	T	24.8	Very low	27.1	Very low	123 Å²	123	152.3 Å²	152.3	76%	0.755	82%	0.823	S	S	*	*			trans	-94.7	127	167.4	53.3	0	0	0	0	111.5
953	E	27.6	Very low	27.2	Very low	202 Å²	202	147.4 Å²	147.4	94%	0.944	81%	0.813	S	S	*	*			trans	-144.4	148.8	156.6	-128.2	174.5	-147.3	0	0	110.1
954	A	24.3	Very low	27	Very low	97 Å²	97	145.8 Å²	145.8	80%	0.802	81%	0.81	S	S	*	*			trans	-121.6	133.6	-165.6	0	0	0	0	0	112.4
955	L	25.9	Very low	27.2	Very low	180 Å²	180	143.2 Å²	143.2	94%	0.942	81%	0.807	S	S	*	*			trans	-118.9	150.1	176.2	-82.9	165.7	0	0	0	112.1
956	Q	23.7	Very low	27.1	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	81%	0.807	S	S	*	*			trans	-91.6	146.4	-162.7	-61.9	170.8	-7.2	0	0	112.4
957	T	26.8	Very low	27.2	Very low	142 Å²	142	147.2 Å²	147.2	87%	0.871	82%	0.822	S	S	*	*			trans	-103.6	135.2	171.6	48.9	0	0	0	0	111.3
958	V	27.9	Very low	27.3	Very low	124 Å²	124	145.6 Å²	145.6	75%	0.752	82%	0.824	S	S	*	*			trans	-118.3	131.4	179.5	-178.5	0	0	0	0	108.8
959	P	25.4	Very low	27.3	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-84	122.3	-174.1	31.4	-33.9	0	0	0	112.9
960	C	27.6	Very low	27.2	Very low	132 Å²	132	149.4 Å²	149.4	89%	0.892	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-75.2	140.3	176.3	-66.3	0	0	0	0	113.1
961	T	31.1	Very low	27.5	Very low	143 Å²	143	149.7 Å²	149.7	88%	0.877	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.4	153.3	-178.9	28.6	0	0	0	0	113.6	G963	T961-G963 PolarHBondContact O-N 2.84Å
962	R	27.8	Very low	27.7	Very low	237 Å²	237	148.5 Å²	148.5	89%	0.894	81%	0.808	S	S	*	*			trans	-61.7	115.2	-177.2	174.5	-172.1	-76.4	159	-6.6	112.7
963	G	29	Very low	29.2	Very low	69 Å²	69	150.9 Å²	150.9	71%	0.711	81%	0.81	S	S	*	*			trans	-105.7	153	159.3	0	0	0	0	0	111.7	T961	T961-G963 PolarHBondContact O-N 2.84Å
964	N	24.9	Very low	30.7	Very low	161 Å²	161	142 Å²	142	86%	0.861	77%	0.769	S	S	*	*			trans	-98.8	118.7	176.9	-82.7	-11.6	0	0	0	111.1
965	S	32.9	Very low	32.1	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	75%	0.747	S	S	*	*			trans	-140.7	147.3	153.2	53.6	0	0	0	0	109.2
966	T	25	Very low	33.5	Very low	128 Å²	128	132 Å²	132	79%	0.785	71%	0.71	S	S	*	*			trans	-94.7	163.5	-178	44	0	0	0	0	111.6
967	E	26.1	Very low	35.4	Very low	173 Å²	173	123.5 Å²	123.5	81%	0.808	67%	0.671	S	S	*	*			trans	72.6	78.3	168	-51.1	-169.6	162.3	0	0	117.5
968	H	28.9	Very low	37.2	Very low	185 Å²	185	116.9 Å²	116.9	86%	0.856	63%	0.631	S	S	*	*			trans	-126.2	121.5	149.5	-83.8	-73.1	0	0	0	110.3
969	H	29.1	Very low	39.4	Very low	158 Å²	158	111.1 Å²	111.1	73%	0.731	60%	0.596	S	S	*	*			trans	-80.3	120.2	-178.7	-84	-83.6	0	0	0	112.1	Y971	H969-Y971 HydrophobicContact CB-CD2 3.82Å; H969-Y971 HydrophobicContact CB-CE2 3.59Å; H969-Y971 PolarHBondContact O-N 2.83Å
970	Q	25.1	Very low	42.2	Very low	198 Å²	198	105.5 Å²	105.5	93%	0.925	56%	0.559	S	S	*	*			trans	-79.8	95	176.9	-171.1	172.8	14.6	0	0	110.8
971	Y	31.3	Very low	45.1	Very low	140 Å²	140	99.4 Å²	99.4	55%	0.549	52%	0.518	S	S	.	.			trans	-92.6	129.5	-178.9	-85.8	-80.3	0	0	0	113.2	H969 H973	H969-Y971 HydrophobicContact CB-CD2 3.82Å; H969-Y971 HydrophobicContact CB-CE2 3.59Å; H969-Y971 PolarHBondContact O-N 2.83Å; Y971-H973 PolarHBondContact O-N 2.84Å
972	D	37.2	Very low	47.9	Very low	111 Å²	111	92.6 Å²	92.6	59%	0.594	48%	0.476	S	S	*	.			trans	-70.5	101.8	171.9	-79	-40.2	0	0	0	111	L974 W1165	D972-L974 PolarHBondContact O-N 2.79Å; D972-W1165 PolarHBondContact O-NE1 2.96Å
973	H	55.4	Low	50.8	Low	172 Å²	172	81.7 Å²	81.7	80%	0.796	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-50.3	123.2	-178.4	-67.5	-71.9	0	0	0	113.3	Y971	Y971-H973 PolarHBondContact O-N 2.84Å
974	L	58.9	Low	53.5	Low	15 Å²	15	80.3 Å²	80.3	8%	0.079	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-59.8	135.3	164.9	177.1	66.7	0	0	0	108.8	D972 F1087 Y1103 R1115 V1158 W1165	D972-L974 PolarHBondContact O-N 2.79Å; L974-F1087 HydrophobicContact CD1-CE1 4.1Å; L974-F1087 HydrophobicContact CD1-CZ 4.36Å; L974-Y1103 HydrophobicContact CD2-CD2 4.06Å; L974-Y1103 HydrophobicContact CD2-CG 3.97Å; L974-R1115 VanDerWaalsContact C-NH2 3.27Å; L974-R1115 HydrophobicContact CD2-CG 4.16Å; L974-R1115 PolarHBondContact O-NH1 3.03Å; L974-R1115 PolarHBondContact O-NH2 3Å; L974-V1158 HydrophobicContact CD1-CG1 4.24Å; L974-W1165 HydrophobicContact CB-CD2 4.38Å; L974-W1165 HydrophobicContact CB-CZ2 4.02Å; L974-W1165 HydrophobicContact CD1-CB 4.02Å; L974-W1165 HydrophobicContact CD1-CD2 3.41Å; L974-W1165 VanDerWaalsContact CD1-CD2 3.41Å; L974-W1165 HydrophobicContact CD1-CE3 3.73Å; L974-W1165 HydrophobicContact CD1-CG 3.53Å; L974-W1165 HydrophobicContact CD1-CZ2 4.46Å; L974-W1165 HydrophobicContact CD1-CZ3 4.37Å; L974-W1165 HydrophobicContact CG-CD2 4.44Å
975	P	54.4	Low	56.3	Low	52 Å²	52	73.6 Å²	73.6	34%	0.338	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-101.9	126.9	-175.8	37.8	-33.8	0	0	0	112.5	Q1085	P975-Q1085 PolarHBondContact O-NE2 2.86Å
976	G	56.1	Low	58.5	Low	15 Å²	15	71.3 Å²	71.3	16%	0.155	36%	0.36	C	S	.	.			trans	68.1	175.2	175.1	0	0	0	0	0	116.7	I898 R1115	I898-G976 VanDerWaalsContact CD1-C 3.43Å; I898-G976 WeakPolarHBondContact CD1-O 3.34Å; G976-R1115 VanDerWaalsContact N-NH2 3.17Å; G976-R1115 PolarHBondContact O-NE 2.98Å; G976-R1115 PolarHBondContact O-NH2 2.79Å
977	A	62.1	Low	60.7	Low	5 Å²	5	68.5 Å²	68.5	4%	0.041	36%	0.356	C	S	.	.			trans	-107.5	-177.1	158.8	0	0	0	0	0	109.3	I898 G979 G1083 P1113	I898-A977 HydrophobicContact CD1-CB 3.61Å; A977-G979 PolarHBondContact O-N 3.13Å; A977-G1083 VanDerWaalsContact O-O 3.11Å; A977-P1113 HydrophobicContact CB-CB 3.65Å
978	S	65.4	Low	62.8	Low	4 Å²	4	65.2 Å²	65.2	3%	0.028	35%	0.352	C	S	.	.			trans	-93.5	90.7	172.4	-161.2	0	0	0	0	110.4	V980 G996	S978-V980 PolarHBondContact O-N 2.89Å; S978-G996 PolarHBondContact OG-O 3.42Å
979	G	72.9	Confident	65	Low	2 Å²	2	62.3 Å²	62.3	2%	0.021	34%	0.337	C	S	.	.			trans	-76	43.7	174.4	0	0	0	0	0	114.2	A977 I1029 G1030 V1084	A977-G979 PolarHBondContact O-N 3.13Å; G979-I1029 CarbonylContact O-C 3.56Å; G979-I1029 WeakPolarHBondContact O-CA 3.07Å; G979-G1030 CarbonylContact C-O 3.56Å; G979-G1030 WeakPolarHBondContact CA-O 3.43Å; G979-G1030 PolarHBondContact O-N 2.86Å; G979-V1084 VanDerWaalsContact O-CG1 3.28Å; G979-V1084 WeakPolarHBondContact O-CG1 3.25Å
980	V	86.1	Confident	67.2	Low	1 Å²	1	56.2 Å²	56.2	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.3	179.1	-177	0	0	0	0	109.1	S978 T995 G996 L998 V1010 V1027 I1029 V1084	S978-V980 PolarHBondContact O-N 2.89Å; V980-T995 CarbonylContact O-C 3.59Å; V980-T995 WeakPolarHBondContact O-CA 3.3Å; V980-G996 PolarHBondContact O-N 3.37Å; V980-L998 HydrophobicContact CG2-CB 4.17Å; V980-V1010 HydrophobicContact CG1-CG1 3.81Å; V980-V1010 HydrophobicContact CG1-CG2 4.36Å; V980-V1027 HydrophobicContact CG1-CG1 3.74Å; V980-I1029 HydrophobicContact CG1-CG1 4.49Å; V980-V1084 HydrophobicContact CG2-CG1 3.48Å; V980-V1084 VanDerWaalsContact CG2-CG1 3.48Å
981	H	88.2	Confident	69.8	Low	4 Å²	4	51.1 Å²	51.1	2%	0.019	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132	-173.3	-58.8	-71.2	0	0	0	110.5	F983 V1027 Y1028 L1033	H981-F983 HydrophobicContact CB-CE2 3.84Å; H981-V1027 WeakPolarHBondContact O-CA 3.13Å; H981-Y1028 PolarHBondContact N-O 2.74Å; H981-Y1028 PolarHBondContact O-N 3.5Å; H981-L1033 HydrophobicContact CB-CD1 4.02Å; H981-L1033 VanDerWaalsContact CD2-CD1 3.43Å; H981-L1033 WeakPolarHBondContact CD2-CD1 3.33Å
982	I	90	Very high	72.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.6	-175.8	-65.8	158.8	0	0	0	108.2	L993 C994 V1010 T1012 V1017 Y1025 V1027 L1072	I982-L993 WeakPolarHBondContact O-CB 3.1Å; I982-L993 PolarHBondContact O-N 3.1Å; I982-C994 PolarHBondContact N-O 2.69Å; I982-C994 PolarHBondContact O-N 3.25Å; I982-V1010 HydrophobicContact CD1-CG1 4.5Å; I982-T1012 HydrophobicContact CD1-CG2 3.67Å; I982-V1017 HydrophobicContact CD1-CG2 4.5Å; I982-V1017 HydrophobicContact CG2-CG2 4Å; I982-Y1025 HydrophobicContact CG2-CD1 4.3Å; I982-V1027 HydrophobicContact CG1-CG1 4.43Å; I982-V1027 HydrophobicContact CG1-CG2 4.17Å; I982-L1072 HydrophobicContact CD1-CD1 3.71Å; I982-L1072 HydrophobicContact CG1-CD1 3.99Å
983	F	88.1	Confident	74.3	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.6	-177.8	-72.6	-99.2	0	0	0	110.9	H981 V985 I990 E991 P992 Q1026 L1046	H981-F983 HydrophobicContact CB-CE2 3.84Å; F983-V985 HydrophobicContact CB-CG2 4.49Å; F983-I990 HydrophobicContact CB-CG2 4.31Å; F983-I990 HydrophobicContact CD1-CG2 3.49Å; F983-I990 VanDerWaalsContact CD1-CG2 3.49Å; F983-I990 HydrophobicContact CE1-CG2 4.11Å; F983-I990 HydrophobicContact CG-CG2 4.17Å; F983-E991 CarbonylContact C-O 3.57Å; F983-E991 VanDerWaalsContact CA-O 3.25Å; F983-E991 WeakPolarHBondContact CA-O 3.33Å; F983-P992 HydrophobicContact CD1-CB 4.04Å; F983-P992 HydrophobicContact CE1-CB 3.59Å; F983-P992 HydrophobicContact CE1-CG 4.25Å; F983-P992 HydrophobicContact CZ-CB 4.04Å; F983-Q1026 PolarHBondContact N-O 2.89Å; F983-Q1026 PolarHBondContact O-N 3.28Å; F983-Q1026 VanDerWaalsContact O-N 3.08Å; F983-L1046 HydrophobicContact CB-CD2 4.32Å; F983-L1046 HydrophobicContact CD2-CD2 3.68Å; F983-L1046 HydrophobicContact CE2-CD2 4.26Å; F983-L1046 HydrophobicContact CG-CD2 4.11Å
984	I	86	Confident	75.9	Confident	39 Å²	39	35.2 Å²	35.2	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.5	161	-62	-180	0	0	0	107.4	I990 E991 L993 K1024 Y1025	I984-I990 WeakPolarHBondContact O-CA 3.31Å; I984-E991 PolarHBondContact N-O 2.74Å; I984-E991 PolarHBondContact O-N 3.24Å; I984-L993 HydrophobicContact CD1-CD1 3.96Å; I984-L993 HydrophobicContact CD1-CD2 3.97Å; I984-L993 HydrophobicContact CD1-CG 4.43Å; I984-L993 HydrophobicContact CG1-CB 4.32Å; I984-L993 HydrophobicContact CG1-CD1 4.49Å; I984-L993 HydrophobicContact CG1-CD2 3.9Å; I984-L993 HydrophobicContact CG1-CG 4.48Å; I984-K1024 WeakPolarHBondContact CA-O 3.36Å; I984-K1024 HydrophobicContact CG2-CB 4.5Å; I984-Y1025 HydrophobicContact CD1-CE1 4.48Å; I984-Y1025 HydrophobicContact CG1-CD1 4.34Å; I984-Y1025 HydrophobicContact CG1-CE1 4.04Å
985	V	82.4	Confident	77.4	Confident	20 Å²	20	34.5 Å²	34.5	12%	0.121	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	175.5	-177.6	0	0	0	0	109.6	F983 F989 I990 K1024 Q1026 L1046	F983-V985 HydrophobicContact CB-CG2 4.49Å; V985-F989 WeakPolarHBondContact CA-O 3.22Å; V985-I990 HydrophobicContact CG1-CG1 4.29Å; V985-I990 HydrophobicContact CG2-CG1 4.19Å; V985-I990 HydrophobicContact CG2-CG2 4.38Å; V985-K1024 PolarHBondContact N-O 2.95Å; V985-Q1026 HydrophobicContact CB-CG 4.37Å; V985-Q1026 HydrophobicContact CG2-CB 4.18Å; V985-Q1026 HydrophobicContact CG2-CG 3.95Å; V985-L1046 HydrophobicContact CG2-CD1 3.96Å
986	S	79	Confident	79	Confident	67 Å²	67	32 Å²	32	47%	0.469	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	85	-175.7	-175.2	0	0	0	0	110.4	F989	S986-F989 PolarHBondContact N-O 3.12Å; S986-F989 PolarHBondContact O-N 3.5Å
987	G	73	Confident	80.6	Confident	68 Å²	68	31.4 Å²	31.4	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-128.8	-168.9	0	0	0	0	0	110.1	F989	G987-F989 VanDerWaalsContact C-N 3.31Å
988	S	69.4	Low	81.8	Confident	105 Å²	105	31.2 Å²	31.2	73%	0.734	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.3	173.6	51.5	0	0	0	0	114.3
989	F	74.6	Confident	82.7	Confident	123 Å²	123	33.5 Å²	33.5	54%	0.539	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.8	178.5	-169.4	-106.1	0	0	0	110.9	V985 S986 G987 E991	V985-F989 WeakPolarHBondContact CA-O 3.22Å; S986-F989 PolarHBondContact N-O 3.12Å; S986-F989 PolarHBondContact O-N 3.5Å; G987-F989 VanDerWaalsContact C-N 3.31Å; F989-E991 HydrophobicContact CD1-CB 4.36Å; F989-E991 HydrophobicContact CE1-CB 3.7Å; F989-E991 HydrophobicContact CE1-CG 4.38Å; F989-E991 HydrophobicContact CZ-CB 4.21Å
990	I	75.3	Confident	82.8	Confident	30 Å²	30	34 Å²	34	15%	0.154	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.2	178.9	-59.8	-178.7	0	0	0	108.1	F983 I984 V985 V1039 L1042 N1043 L1046	F983-I990 HydrophobicContact CB-CG2 4.31Å; F983-I990 HydrophobicContact CD1-CG2 3.49Å; F983-I990 VanDerWaalsContact CD1-CG2 3.49Å; F983-I990 HydrophobicContact CE1-CG2 4.11Å; F983-I990 HydrophobicContact CG-CG2 4.17Å; I984-I990 WeakPolarHBondContact O-CA 3.31Å; V985-I990 HydrophobicContact CG1-CG1 4.29Å; V985-I990 HydrophobicContact CG2-CG1 4.19Å; V985-I990 HydrophobicContact CG2-CG2 4.38Å; I990-V1039 HydrophobicContact CD1-CG1 3.83Å; I990-V1039 HydrophobicContact CG1-CG1 4.38Å; I990-L1042 HydrophobicContact CD1-CD2 4.37Å; I990-L1042 HydrophobicContact CG2-CD2 3.87Å; I990-N1043 HydrophobicContact CD1-CB 4.09Å; I990-L1046 HydrophobicContact CD1-CD1 4.16Å; I990-L1046 HydrophobicContact CG2-CD1 4.05Å
991	E	80.9	Confident	82	Confident	91 Å²	91	36.8 Å²	36.8	43%	0.425	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.6	-176.2	-175	176.1	-162.4	0	0	111.5	F983 I984 F989 L993	F983-E991 CarbonylContact C-O 3.57Å; F983-E991 VanDerWaalsContact CA-O 3.25Å; F983-E991 WeakPolarHBondContact CA-O 3.33Å; I984-E991 PolarHBondContact N-O 2.74Å; I984-E991 PolarHBondContact O-N 3.24Å; F989-E991 HydrophobicContact CD1-CB 4.36Å; F989-E991 HydrophobicContact CE1-CB 3.7Å; F989-E991 HydrophobicContact CE1-CG 4.38Å; F989-E991 HydrophobicContact CZ-CB 4.21Å; E991-L993 PolarHBondContact O-N 2.6Å
992	P	77.9	Confident	80.9	Confident	34 Å²	34	40.6 Å²	40.6	22%	0.221	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	116.8	172.7	27.4	-33.2	0	0	0	110.3	F983 Y1151	F983-P992 HydrophobicContact CD1-CB 4.04Å; F983-P992 HydrophobicContact CE1-CB 3.59Å; F983-P992 HydrophobicContact CE1-CG 4.25Å; F983-P992 HydrophobicContact CZ-CB 4.04Å; P992-Y1151 HydrophobicContact CB-CD2 4.21Å; P992-Y1151 HydrophobicContact CB-CE1 4.29Å; P992-Y1151 HydrophobicContact CB-CE2 3.82Å; P992-Y1151 HydrophobicContact CG-CE1 4.07Å; P992-Y1151 HydrophobicContact CG-CE2 3.8Å; P992-Y1151 VanDerWaalsContact CG-CZ 3.49Å; P992-Y1151 WeakPolarHBondContact CG-OH 3.28Å; P992-Y1151 WeakPolarHBondContact O-CD1 2.97Å; P992-Y1151 VanDerWaalsContact O-CE1 3.27Å; P992-Y1151 WeakPolarHBondContact O-CE1 3.43Å
993	L	83.8	Confident	79.5	Confident	53 Å²	53	41.8 Å²	41.8	28%	0.277	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-50	-173.5	-177.8	65.5	0	0	0	112.3	I982 I984 E991 C1016 Y1025	I982-L993 WeakPolarHBondContact O-CB 3.1Å; I982-L993 PolarHBondContact O-N 3.1Å; I984-L993 HydrophobicContact CD1-CD1 3.96Å; I984-L993 HydrophobicContact CD1-CD2 3.97Å; I984-L993 HydrophobicContact CD1-CG 4.43Å; I984-L993 HydrophobicContact CG1-CB 4.32Å; I984-L993 HydrophobicContact CG1-CD1 4.49Å; I984-L993 HydrophobicContact CG1-CD2 3.9Å; I984-L993 HydrophobicContact CG1-CG 4.48Å; E991-L993 PolarHBondContact O-N 2.6Å; L993-C1016 WeakPolarHBondContact CD2-O 3.07Å; L993-C1016 VanDerWaalsContact CD2-SG 3.58Å; L993-Y1025 HydrophobicContact CD2-CD1 4.35Å; L993-Y1025 HydrophobicContact CD2-CE1 3.8Å
994	C	90	Very high	78.5	Confident	2 Å²	2	44 Å²	44	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	171.6	-172.8	82	0	0	0	0	112.8	I982 C1016 I1153	I982-C994 PolarHBondContact N-O 2.69Å; I982-C994 PolarHBondContact O-N 3.25Å; C994-C1016 HydrophobicContact CB-CB 3.55Å; C994-C1016 WeakPolarHBondContact CB-SG 3.5Å; C994-C1016 WeakPolarHBondContact SG-CB 3.24Å; C994-C1016 CovalentContact SG-SG 2.01Å; C994-C1016 PolarHBondContact SG-SG 3Å; C994-I1153 HydrophobicContact CB-CB 4.28Å; C994-I1153 VanDerWaalsContact CB-O 3.32Å; C994-I1153 WeakPolarHBondContact CB-O 3.36Å
995	T	88.8	Confident	77.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	159.5	168.8	-58	0	0	0	0	109.9	V980 T1012 Y1151 I1153 G1154	V980-T995 CarbonylContact O-C 3.59Å; V980-T995 WeakPolarHBondContact O-CA 3.3Å; T995-T1012 PolarHBondContact O-OG1 3.23Å; T995-Y1151 PolarHBondContact N-O 3.09Å; T995-Y1151 PolarHBondContact OG1-O 2.63Å; T995-I1153 PolarHBondContact N-O 2.68Å; T995-G1154 CarbonylContact O-C 3.41Å; T995-G1154 VanDerWaalsContact O-CA 3.27Å; T995-G1154 WeakPolarHBondContact O-CA 3.47Å
996	G	88.9	Confident	77.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.			trans	-136.1	-165.4	168.5	0	0	0	0	0	111.2	S978 V980 V1011	S978-G996 PolarHBondContact OG-O 3.42Å; V980-G996 PolarHBondContact O-N 3.37Å; G996-V1011 CarbonylContact C-O 3.5Å; G996-V1011 WeakPolarHBondContact CA-O 3.37Å
997	T	89.2	Confident	77.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.6	165.6	-51.5	0	0	0	0	108.6	Y999 V1011 P1156	T997-Y999 PolarHBondContact O-N 2.93Å; T997-V1011 PolarHBondContact N-O 3.27Å; T997-V1011 PolarHBondContact O-N 3.2Å; T997-P1156 WeakPolarHBondContact OG1-CB 3.41Å; T997-P1156 WeakPolarHBondContact OG1-CD 3.26Å; T997-P1156 WeakPolarHBondContact OG1-CG 3.36Å
998	L	86.9	Confident	78.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	123.4	173.2	-168.1	64.4	0	0	0	107.8	V980 V1010 I1029 V1080 P1086	V980-L998 HydrophobicContact CG2-CB 4.17Å; L998-V1010 HydrophobicContact CD1-CG2 3.78Å; L998-I1029 HydrophobicContact CD1-CD1 4.34Å; L998-V1080 HydrophobicContact CD2-CG2 3.98Å; L998-P1086 VanDerWaalsContact O-CB 3.24Å; L998-P1086 WeakPolarHBondContact O-CB 3.36Å
999	Y	84.5	Confident	79.2	Confident	51 Å²	51	32.5 Å²	32.5	20%	0.2	16%	0.158	C	C	.	.			trans	-99.4	86.5	172	176	-101.3	0	0	0	107.5	T997 K1001 S1007 E1009 V1011 L1089 V1206	T997-Y999 PolarHBondContact O-N 2.93Å; Y999-K1001 HydrophobicContact CE1-CG 3.69Å; Y999-S1007 PolarHBondContact O-OG 2.92Å; Y999-E1009 CarbonylContact C-O 3.46Å; Y999-E1009 WeakPolarHBondContact CA-O 3.14Å; Y999-E1009 HydrophobicContact CD1-CB 4.1Å; Y999-E1009 WeakPolarHBondContact CD1-OE2 3.33Å; Y999-E1009 PolarHBondContact N-O 3.17Å; Y999-V1011 HydrophobicContact CG-CG2 4.2Å; Y999-L1089 HydrophobicContact CD2-CD1 4.24Å; Y999-L1089 HydrophobicContact CE2-CD1 3.7Å; Y999-L1089 HydrophobicContact CE2-CG 4.17Å; Y999-V1206 HydrophobicContact CD1-CG1 3.92Å; Y999-V1206 HydrophobicContact CE1-CB 4.41Å; Y999-V1206 HydrophobicContact CE1-CG1 3.71Å; Y999-V1206 HydrophobicContact CE2-CG1 4.47Å; Y999-V1206 HydrophobicContact CE2-CG2 4.39Å; Y999-V1206 HydrophobicContact CG-CG1 4.39Å
1000	A	75.6	Confident	79.9	Confident	14 Å²	14	26.6 Å²	26.6	12%	0.116	13%	0.133	C	C	.	.			trans	-69.7	129.5	157.1	0	0	0	0	0	107.2	R1002 E1004 V1080 P1086	A1000-R1002 PolarHBondContact O-N 2.87Å; A1000-E1004 WeakPolarHBondContact CB-O 3.36Å; A1000-V1080 HydrophobicContact CB-CG2 4.03Å; A1000-P1086 HydrophobicContact CB-CB 4.33Å; A1000-P1086 HydrophobicContact CB-CG 3.96Å
1001	K	69.7	Low	80.6	Confident	59 Å²	59	25.6 Å²	25.6	26%	0.257	13%	0.128	S	C	.	.			trans	-61.2	140	159.8	-57.7	167.2	-149.8	62.3	0	105.1	Y999 G1003 E1004 E1009	Y999-K1001 HydrophobicContact CE1-CG 3.69Å; K1001-G1003 PolarHBondContact O-N 3.08Å; K1001-E1004 HydrophobicContact CB-CG 4.2Å; K1001-E1004 VanDerWaalsContact CB-OE2 3.24Å; K1001-E1004 WeakPolarHBondContact CB-OE2 3.31Å; K1001-E1004 WeakPolarHBondContact CG-OE2 3.32Å; K1001-E1004 PolarHBondContact N-OE2 2.85Å; K1001-E1004 IonicContact NZ-OE1 3.88Å; K1001-E1004 PolarHBondContact NZ-OE1 3.22Å; K1001-E1004 VanDerWaalsContact NZ-OE1 3.13Å; K1001-E1004 IonicContact NZ-OE2 2.7Å; K1001-E1004 PolarHBondContact NZ-OE2 2.84Å; K1001-E1004 WeakPolarHBondContact O-CB 3.22Å; K1001-E1004 PolarHBondContact O-N 3.46Å; K1001-E1009 WeakPolarHBondContact CE-OE1 3.46Å; K1001-E1009 VanDerWaalsContact CE-OE2 3.27Å; K1001-E1009 WeakPolarHBondContact CE-OE2 3.27Å; K1001-E1009 IonicContact NZ-OE1 3.61Å; K1001-E1009 PolarHBondContact NZ-OE1 2.98Å; K1001-E1009 IonicContact NZ-OE2 2.75Å; K1001-E1009 PolarHBondContact NZ-OE2 2.89Å
1002	R	64.6	Low	81.1	Confident	84 Å²	84	21.3 Å²	21.3	32%	0.317	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn		58.3	27.7	109.1	-53.2	-171	152.8	-164.1	-5	116.3	N136 V138 N139 E209 A1000	N136-R1002 PolarHBondContact O-NH1 2.68Å; N136-R1002 PolarHBondContact O-NH2 3.03Å; V138-R1002 CarbonylContact C-O 3.5Å; V138-R1002 VanDerWaalsContact CA-C 3.47Å; V138-R1002 WeakPolarHBondContact CA-O 3.33Å; V138-R1002 HydrophobicContact CB-CG 4.35Å; V138-R1002 HydrophobicContact CG1-CG 3.88Å; N139-R1002 WeakPolarHBondContact CA-O 3.24Å; N139-R1002 PolarHBondContact N-O 2.96Å; E209-R1002 IonicContact OE1-CZ 2.83Å; E209-R1002 IonicContact OE1-NE 2.73Å; E209-R1002 PolarHBondContact OE1-NE 2.86Å; E209-R1002 IonicContact OE1-NH2 2.7Å; E209-R1002 IonicContact OE2-CZ 2.96Å; E209-R1002 VanDerWaalsContact OE2-CZ 3.23Å; E209-R1002 IonicContact OE2-NE 3.85Å; E209-R1002 PolarHBondContact OE2-NE 2.86Å; E209-R1002 VanDerWaalsContact OE2-NE 3.11Å; E209-R1002 IonicContact OE2-NH2 3.58Å; E209-R1002 PolarHBondContact OE2-NH2 3.33Å; A1000-R1002 PolarHBondContact O-N 2.87Å
1003	G	61.7	Low	81.7	Confident	24 Å²	24	19.7 Å²	19.7	25%	0.247	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	13.8	-175.4	0	0	0	0	0	118.3	V138 K1001	V138-G1003 VanDerWaalsContact CB-CA 3.49Å; K1001-G1003 PolarHBondContact O-N 3.08Å
1004	E	66.4	Low	81.8	Confident	56 Å²	56	17.3 Å²	17.3	26%	0.262	9%	0.085	S	C	.	.			trans	-85.6	120.5	171.7	-62.7	173.5	146.7	0	0	110.2	A1000 K1001 Y1006	A1000-E1004 WeakPolarHBondContact CB-O 3.36Å; K1001-E1004 HydrophobicContact CB-CG 4.2Å; K1001-E1004 VanDerWaalsContact CB-OE2 3.24Å; K1001-E1004 WeakPolarHBondContact CB-OE2 3.31Å; K1001-E1004 WeakPolarHBondContact CG-OE2 3.32Å; K1001-E1004 PolarHBondContact N-OE2 2.85Å; K1001-E1004 IonicContact NZ-OE1 3.88Å; K1001-E1004 PolarHBondContact NZ-OE1 3.22Å; K1001-E1004 VanDerWaalsContact NZ-OE1 3.13Å; K1001-E1004 IonicContact NZ-OE2 2.7Å; K1001-E1004 PolarHBondContact NZ-OE2 2.84Å; K1001-E1004 WeakPolarHBondContact O-CB 3.22Å; K1001-E1004 PolarHBondContact O-N 3.46Å; E1004-Y1006 PolarHBondContact O-N 2.81Å
1005	E	68.8	Low	81.7	Confident	14 Å²	14	20.3 Å²	20.3	7%	0.065	10%	0.096	C	C	.	.	S	Bend	trans	-65.2	-28.2	167.8	-99.1	-136.3	143.5	0	0	113.3	F207 I252 T253 K254 V1080	F207-E1005 HydrophobicContact CE1-CG 4.01Å; F207-E1005 HydrophobicContact CE2-CG 4.45Å; F207-E1005 HydrophobicContact CZ-CG 3.55Å; I252-E1005 WeakPolarHBondContact O-CG 3.44Å; I252-E1005 VanDerWaalsContact O-OE2 3.11Å; T253-E1005 WeakPolarHBondContact CA-OE1 3.24Å; T253-E1005 VanDerWaalsContact CA-OE2 3.26Å; T253-E1005 WeakPolarHBondContact CA-OE2 3.35Å; K254-E1005 PolarHBondContact N-OE2 2.91Å; E1005-V1080 WeakPolarHBondContact O-CB 3.27Å; E1005-V1080 WeakPolarHBondContact O-CG2 3.41Å; E1005-V1080 PolarHBondContact O-N 3.45Å
1006	Y	76.5	Confident	81.6	Confident	15 Å²	15	20.7 Å²	20.7	6%	0.059	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115	-172.5	-73.2	-119.6	0	0	0	108.3	I252 K254 E1004 R1077 V1078	I252-Y1006 HydrophobicContact CG2-CE2 4.03Å; K254-Y1006 HydrophobicContact CD-CE1 4.26Å; K254-Y1006 HydrophobicContact CD-CE2 4.49Å; K254-Y1006 VanDerWaalsContact CE-CE1 3.48Å; K254-Y1006 VanDerWaalsContact CE-OH 3.29Å; K254-Y1006 WeakPolarHBondContact CE-OH 3.38Å; K254-Y1006 HydrophobicContact CG-CE2 4.41Å; K254-Y1006 WeakPolarHBondContact CG-OH 3.42Å; E1004-Y1006 PolarHBondContact O-N 2.81Å; Y1006-R1077 HydrophobicContact CD1-CB 4.17Å; Y1006-R1077 PolarHBondContact O-NE 3.22Å; Y1006-R1077 PolarHBondContact O-NH2 2.9Å; Y1006-V1078 VanDerWaalsContact CA-O 3.28Å; Y1006-V1078 WeakPolarHBondContact CA-O 3.43Å
1007	S	83.2	Confident	81.5	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.6	172.1	-175.7	0	0	0	0	111.4	Y999 E1009 V1078	Y999-S1007 PolarHBondContact O-OG 2.92Å; S1007-E1009 PolarHBondContact OG-N 3.07Å; S1007-E1009 PolarHBondContact OG-O 2.93Å; S1007-E1009 VanDerWaalsContact OG-O 3.11Å; S1007-V1078 PolarHBondContact N-O 3.05Å; S1007-V1078 PolarHBondContact O-N 2.6Å
1008	D	87.1	Confident	80.9	Confident	23 Å²	23	22.3 Å²	22.3	12%	0.123	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	10.2	161	59.4	-17.5	0	0	0	111.8	K1073 L1074 R1077	D1008-K1073 VanDerWaalsContact CG-NZ 3.29Å; D1008-K1073 CarbonylContact O-C 3.49Å; D1008-K1073 VanDerWaalsContact O-CA 3.22Å; D1008-K1073 WeakPolarHBondContact O-CA 3.24Å; D1008-K1073 IonicContact OD1-NZ 3.52Å; D1008-K1073 PolarHBondContact OD1-NZ 3.2Å; D1008-K1073 VanDerWaalsContact OD2-CE 3.29Å; D1008-K1073 WeakPolarHBondContact OD2-CE 3.31Å; D1008-K1073 IonicContact OD2-NZ 3.63Å; D1008-K1073 PolarHBondContact OD2-NZ 2.68Å; D1008-L1074 HydrophobicContact CB-CB 4.2Å; D1008-L1074 PolarHBondContact O-N 2.81Å; D1008-R1077 HydrophobicContact CB-CB 4.42Å; D1008-R1077 HydrophobicContact CB-CG 3.99Å
1009	E	88.4	Confident	80	Confident	5 Å²	5	25.8 Å²	25.8	2%	0.023	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.9	-177.2	-71.3	166.2	-168.8	0	0	110	Y999 K1001 S1007 M1071 L1072 Q1210	Y999-E1009 CarbonylContact C-O 3.46Å; Y999-E1009 WeakPolarHBondContact CA-O 3.14Å; Y999-E1009 HydrophobicContact CD1-CB 4.1Å; Y999-E1009 WeakPolarHBondContact CD1-OE2 3.33Å; Y999-E1009 PolarHBondContact N-O 3.17Å; K1001-E1009 WeakPolarHBondContact CE-OE1 3.46Å; K1001-E1009 VanDerWaalsContact CE-OE2 3.27Å; K1001-E1009 WeakPolarHBondContact CE-OE2 3.27Å; K1001-E1009 IonicContact NZ-OE1 3.61Å; K1001-E1009 PolarHBondContact NZ-OE1 2.98Å; K1001-E1009 IonicContact NZ-OE2 2.75Å; K1001-E1009 PolarHBondContact NZ-OE2 2.89Å; S1007-E1009 PolarHBondContact OG-N 3.07Å; S1007-E1009 PolarHBondContact OG-O 2.93Å; S1007-E1009 VanDerWaalsContact OG-O 3.11Å; E1009-M1071 HydrophobicContact CB-CG 4.41Å; E1009-M1071 HydrophobicContact CB-SD 4.27Å; E1009-M1071 HydrophobicContact CG-CE 4.31Å; E1009-M1071 HydrophobicContact CG-SD 3.96Å; E1009-L1072 WeakPolarHBondContact CA-O 3.45Å; E1009-Q1210 PolarHBondContact OE1-NE2 3.2Å; E1009-Q1210 PolarHBondContact OE2-NE2 3.45Å
1010	V	89.8	Confident	79.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.5	176.2	172.3	0	0	0	0	109.3	V980 I982 L998 M1071 L1072 L1074	V980-V1010 HydrophobicContact CG1-CG1 3.81Å; V980-V1010 HydrophobicContact CG1-CG2 4.36Å; I982-V1010 HydrophobicContact CD1-CG1 4.5Å; L998-V1010 HydrophobicContact CD1-CG2 3.78Å; V1010-M1071 CarbonylContact O-C 3.45Å; V1010-M1071 WeakPolarHBondContact O-CA 3.36Å; V1010-L1072 HydrophobicContact CB-CB 4.31Å; V1010-L1072 HydrophobicContact CG1-CD1 4.45Å; V1010-L1072 PolarHBondContact N-O 3.46Å; V1010-L1072 PolarHBondContact O-N 3.37Å; V1010-L1074 HydrophobicContact CG2-CD1 4.04Å; V1010-L1074 HydrophobicContact CG2-CD2 4.4Å; V1010-L1074 HydrophobicContact CG2-CG 4.31Å
1011	V	89.4	Confident	78.2	Confident	9 Å²	9	29.8 Å²	29.8	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.6	-179.1	170.7	0	0	0	0	110.2	G996 T997 Y999 M1071 I1170 V1206	G996-V1011 CarbonylContact C-O 3.5Å; G996-V1011 WeakPolarHBondContact CA-O 3.37Å; T997-V1011 PolarHBondContact N-O 3.27Å; T997-V1011 PolarHBondContact O-N 3.2Å; Y999-V1011 HydrophobicContact CG-CG2 4.2Å; V1011-M1071 HydrophobicContact CG2-CG 4.27Å; V1011-I1170 HydrophobicContact CG1-CD1 3.53Å; V1011-I1170 HydrophobicContact CG1-CG1 4.49Å; V1011-V1206 HydrophobicContact CG2-CG1 4.43Å; V1011-V1206 HydrophobicContact CG2-CG2 4.47Å
1012	T	91.4	Very high	77.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	179.7	176	-171.1	0	0	0	0	110.6	I982 T995 C1016 V1017 T1070 G1154	I982-T1012 HydrophobicContact CD1-CG2 3.67Å; T995-T1012 PolarHBondContact O-OG1 3.23Å; T1012-C1016 HydrophobicContact CG2-CB 4.47Å; T1012-V1017 HydrophobicContact CG2-CB 4.45Å; T1012-V1017 HydrophobicContact CG2-CG2 4.19Å; T1012-T1070 PolarHBondContact N-O 2.65Å; T1012-T1070 PolarHBondContact O-N 2.9Å; T1012-G1154 WeakPolarHBondContact OG1-CA 3.26Å
1013	S	90	Very high	77.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	144.5	173	168.1	0	0	0	0	111.6	R1015 C1016 V1017 D1172	S1013-R1015 PolarHBondContact O-N 2.84Å; S1013-R1015 VanDerWaalsContact O-N 3.16Å; S1013-R1015 WeakPolarHBondContact OG-CB 3.25Å; S1013-R1015 PolarHBondContact OG-N 2.81Å; S1013-C1016 WeakPolarHBondContact O-CB 3.45Å; S1013-C1016 PolarHBondContact O-N 2.66Å; S1013-V1017 PolarHBondContact O-N 3.25Å; S1013-D1172 PolarHBondContact OG-OD1 2.87Å
1014	S	87.2	Confident	78.5	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.021	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.6	168.4	-58.4	0	0	0	0	114.5	N1066 G1068 M1069 T1070	S1014-N1066 CarbonylContact C-O 3.18Å; S1014-N1066 WeakPolarHBondContact CB-O 3.24Å; S1014-G1068 PolarHBondContact N-O 2.75Å; S1014-G1068 VanDerWaalsContact OG-C 3.3Å; S1014-M1069 PolarHBondContact OG-N 3.42Å; S1014-M1069 PolarHBondContact OG-O 3.35Å; S1014-M1069 VanDerWaalsContact OG-O 3.1Å; S1014-T1070 VanDerWaalsContact CA-OG1 3.24Å; S1014-T1070 WeakPolarHBondContact CA-OG1 3.44Å; S1014-T1070 WeakPolarHBondContact CB-OG1 3.24Å; S1014-T1070 PolarHBondContact OG-OG1 2.95Å
1015	R	86.6	Confident	79.5	Confident	65 Å²	65	36 Å²	36	25%	0.245	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-30.9	167.2	-174.6	-177.7	-60.8	-89.3	-1.6	112.6	S1013 N1066 I1153 D1172 H1173	S1013-R1015 PolarHBondContact O-N 2.84Å; S1013-R1015 VanDerWaalsContact O-N 3.16Å; S1013-R1015 WeakPolarHBondContact OG-CB 3.25Å; S1013-R1015 PolarHBondContact OG-N 2.81Å; R1015-N1066 HydrophobicContact CB-CB 4.12Å; R1015-N1066 HydrophobicContact CG-CB 4.33Å; R1015-N1066 PolarHBondContact N-O 2.81Å; R1015-I1153 HydrophobicContact CB-CG2 4.5Å; R1015-D1172 VanDerWaalsContact CD-O 3.31Å; R1015-D1172 WeakPolarHBondContact CD-O 3.47Å; R1015-D1172 IonicContact CZ-OD2 2.67Å; R1015-D1172 VanDerWaalsContact CZ-OD2 3.25Å; R1015-D1172 PolarHBondContact NE-O 2.83Å; R1015-D1172 IonicContact NE-OD1 2.66Å; R1015-D1172 IonicContact NE-OD2 3.75Å; R1015-D1172 PolarHBondContact NE-OD2 2.92Å; R1015-D1172 IonicContact NH2-OD2 3.2Å; R1015-D1172 PolarHBondContact NH2-OD2 2.92Å; R1015-H1173 PolarHBondContact NH2-CE1 2.89Å; R1015-H1173 PolarHBondContact NH2-ND1 2.88Å; R1015-H1173 VanDerWaalsContact NH2-ND1 3.16Å
1016	C	88.3	Confident	80.4	Confident	8 Å²	8	36.6 Å²	36.6	5%	0.054	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-62.5	172.5	172.8	0	0	0	0	110.5	L993 C994 T1012 S1013 P1018 I1153	L993-C1016 WeakPolarHBondContact CD2-O 3.07Å; L993-C1016 VanDerWaalsContact CD2-SG 3.58Å; C994-C1016 HydrophobicContact CB-CB 3.55Å; C994-C1016 WeakPolarHBondContact CB-SG 3.5Å; C994-C1016 WeakPolarHBondContact SG-CB 3.24Å; C994-C1016 CovalentContact SG-SG 2.01Å; C994-C1016 PolarHBondContact SG-SG 3Å; T1012-C1016 HydrophobicContact CG2-CB 4.47Å; S1013-C1016 WeakPolarHBondContact O-CB 3.45Å; S1013-C1016 PolarHBondContact O-N 2.66Å; C1016-P1018 VanDerWaalsContact O-CD 3.26Å; C1016-P1018 WeakPolarHBondContact O-CD 3.39Å; C1016-I1153 HydrophobicContact CB-CG2 4.13Å
1017	V	87.3	Confident	81	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-110.4	100.2	-179	-172.6	0	0	0	0	110.5	I982 T1012 S1013 Y1025 V1052 T1070 L1072	I982-V1017 HydrophobicContact CD1-CG2 4.5Å; I982-V1017 HydrophobicContact CG2-CG2 4Å; T1012-V1017 HydrophobicContact CG2-CB 4.45Å; T1012-V1017 HydrophobicContact CG2-CG2 4.19Å; S1013-V1017 PolarHBondContact O-N 3.25Å; V1017-Y1025 HydrophobicContact CG1-CD1 4.35Å; V1017-Y1025 HydrophobicContact CG1-CD2 3.93Å; V1017-Y1025 HydrophobicContact CG1-CE1 4.22Å; V1017-Y1025 HydrophobicContact CG1-CE2 3.8Å; V1017-Y1025 HydrophobicContact CG1-CG 4.21Å; V1017-Y1025 HydrophobicContact CG2-CD1 4.04Å; V1017-Y1025 HydrophobicContact CG2-CE1 4.1Å; V1017-Y1025 HydrophobicContact CG2-CG 4.5Å; V1017-V1052 HydrophobicContact CG1-CG1 3.78Å; V1017-V1052 HydrophobicContact CG1-CG2 4.25Å; V1017-T1070 HydrophobicContact CB-CG2 3.99Å; V1017-T1070 HydrophobicContact CG1-CG2 4.17Å; V1017-T1070 WeakPolarHBondContact O-CB 3.43Å; V1017-T1070 WeakPolarHBondContact O-CG2 3.4Å; V1017-T1070 PolarHBondContact O-OG1 3.34Å; V1017-L1072 HydrophobicContact CB-CD2 3.97Å; V1017-L1072 HydrophobicContact CG1-CD2 3.7Å; V1017-L1072 HydrophobicContact CG2-CD1 4.32Å; V1017-L1072 HydrophobicContact CG2-CD2 4.03Å
1018	P	76.4	Confident	81.2	Confident	36 Å²	36	36.4 Å²	36.4	23%	0.234	20%	0.201	C	C	.	.			trans	-70.6	164.1	170.4	30.6	-36	0	0	0	111.6	C1016 T1020	C1016-P1018 VanDerWaalsContact O-CD 3.26Å; C1016-P1018 WeakPolarHBondContact O-CD 3.39Å; P1018-T1020 PolarHBondContact O-N 3.04Å
1019	P	67.5	Low	80.9	Confident	75 Å²	75	35.3 Å²	35.3	49%	0.487	20%	0.195	S	C	.	.	S	Bend	trans	-64.1	-2.9	179	22.6	-32.2	0	0	0	115.8	A1054	P1019-A1054 HydrophobicContact CB-CB 3.95Å; P1019-A1054 HydrophobicContact CG-CB 4.3Å
1020	T	64.6	Low	80.1	Confident	113 Å²	113	35.1 Å²	35.1	69%	0.693	19%	0.194	S	C	*	.	S	Bend	trans	-111.1	89.7	-168.9	52	0	0	0	0	112.5	P1018	P1018-T1020 PolarHBondContact O-N 3.04Å
1021	G	58.1	Low	78.7	Confident	37 Å²	37	36.1 Å²	36.1	38%	0.381	20%	0.201	S	C	.	.			trans	128.7	61.8	160.3	0	0	0	0	0	116.7	N1023 K1024 Y1025	G1021-N1023 PolarHBondContact O-N 3.33Å; G1021-N1023 VanDerWaalsContact O-N 3.07Å; G1021-K1024 PolarHBondContact O-N 3.29Å; G1021-Y1025 WeakPolarHBondContact O-CD2 3.46Å; G1021-Y1025 WeakPolarHBondContact O-CE2 3.3Å
1022	N	60.1	Low	77.5	Confident	47 Å²	47	40 Å²	40	25%	0.251	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-45.8	-43.4	-177.3	-57.7	22.3	0	0	0	114.2	K1024 Y1025 G1050 V1052	N1022-K1024 PolarHBondContact O-N 2.61Å; N1022-Y1025 PolarHBondContact O-N 3Å; N1022-G1050 PolarHBondContact ND2-O 3.03Å; N1022-V1052 HydrophobicContact CB-CG2 4.29Å
1023	N	61	Low	76.3	Confident	165 Å²	165	41.1 Å²	41.1	88%	0.882	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-69.1	2.7	-167.6	-59.7	28.3	0	0	0	115.8	G1021	G1021-N1023 PolarHBondContact O-N 3.33Å; G1021-N1023 VanDerWaalsContact O-N 3.07Å
1024	K	80.1	Confident	74.8	Confident	117 Å²	117	42.7 Å²	42.7	51%	0.509	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-109.3	-12.5	179.7	-67.6	-165.2	174.3	-163.8	0	114.8	I984 V985 G1021 N1022	I984-K1024 WeakPolarHBondContact CA-O 3.36Å; I984-K1024 HydrophobicContact CG2-CB 4.5Å; V985-K1024 PolarHBondContact N-O 2.95Å; G1021-K1024 PolarHBondContact O-N 3.29Å; N1022-K1024 PolarHBondContact O-N 2.61Å
1025	Y	87.6	Confident	73.3	Confident	24 Å²	24	48.4 Å²	48.4	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.9	-171.8	-60.8	-74.1	0	0	0	111.5	I982 I984 L993 V1017 G1021 N1022 V1049	I982-Y1025 HydrophobicContact CG2-CD1 4.3Å; I984-Y1025 HydrophobicContact CD1-CE1 4.48Å; I984-Y1025 HydrophobicContact CG1-CD1 4.34Å; I984-Y1025 HydrophobicContact CG1-CE1 4.04Å; L993-Y1025 HydrophobicContact CD2-CD1 4.35Å; L993-Y1025 HydrophobicContact CD2-CE1 3.8Å; V1017-Y1025 HydrophobicContact CG1-CD1 4.35Å; V1017-Y1025 HydrophobicContact CG1-CD2 3.93Å; V1017-Y1025 HydrophobicContact CG1-CE1 4.22Å; V1017-Y1025 HydrophobicContact CG1-CE2 3.8Å; V1017-Y1025 HydrophobicContact CG1-CG 4.21Å; V1017-Y1025 HydrophobicContact CG2-CD1 4.04Å; V1017-Y1025 HydrophobicContact CG2-CE1 4.1Å; V1017-Y1025 HydrophobicContact CG2-CG 4.5Å; G1021-Y1025 WeakPolarHBondContact O-CD2 3.46Å; G1021-Y1025 WeakPolarHBondContact O-CE2 3.3Å; N1022-Y1025 PolarHBondContact O-N 3Å; Y1025-V1049 WeakPolarHBondContact O-CG2 3.11Å; Y1025-V1049 PolarHBondContact O-N 2.85Å
1026	Q	88.2	Confident	71.8	Confident	26 Å²	26	53.9 Å²	53.9	12%	0.121	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.2	170.9	-56.4	-174.7	-6.5	0	0	109.9	F983 V985 L1046 I1047	F983-Q1026 PolarHBondContact N-O 2.89Å; F983-Q1026 PolarHBondContact O-N 3.28Å; F983-Q1026 VanDerWaalsContact O-N 3.08Å; V985-Q1026 HydrophobicContact CB-CG 4.37Å; V985-Q1026 HydrophobicContact CG2-CB 4.18Å; V985-Q1026 HydrophobicContact CG2-CG 3.95Å; Q1026-L1046 HydrophobicContact CB-CB 4.01Å; Q1026-L1046 HydrophobicContact CB-CD1 4.4Å; Q1026-L1046 HydrophobicContact CB-CD2 4.43Å; Q1026-L1046 VanDerWaalsContact OE1-CD1 3.32Å; Q1026-I1047 CarbonylContact C-O 3.57Å; Q1026-I1047 WeakPolarHBondContact CA-O 3.31Å
1027	V	89.3	Confident	70.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.1	-173.7	-170.7	0	0	0	0	111	V980 H981 I982 I1029 I1047 V1049 L1072 L1074	V980-V1027 HydrophobicContact CG1-CG1 3.74Å; H981-V1027 WeakPolarHBondContact O-CA 3.13Å; I982-V1027 HydrophobicContact CG1-CG1 4.43Å; I982-V1027 HydrophobicContact CG1-CG2 4.17Å; V1027-I1029 HydrophobicContact CG1-CD1 4.33Å; V1027-I1029 HydrophobicContact CG1-CG1 4.02Å; V1027-I1047 PolarHBondContact N-O 3.48Å; V1027-I1047 PolarHBondContact O-N 3.37Å; V1027-V1049 HydrophobicContact CG2-CG2 4.08Å; V1027-L1072 HydrophobicContact CG2-CD1 4.06Å; V1027-L1074 HydrophobicContact CB-CD2 4.02Å; V1027-L1074 HydrophobicContact CG2-CD2 3.64Å
1028	Y	86.7	Confident	69.2	Low	12 Å²	12	59.1 Å²	59.1	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.1	168.2	-178.2	-103.4	0	0	0	110.1	H981 L1032 P1034 L1042	H981-Y1028 PolarHBondContact N-O 2.74Å; H981-Y1028 PolarHBondContact O-N 3.5Å; Y1028-L1032 WeakPolarHBondContact CE1-O 3.21Å; Y1028-L1032 PolarHBondContact OH-O 2.99Å; Y1028-P1034 HydrophobicContact CE1-CG 4.16Å; Y1028-P1034 HydrophobicContact CE2-CG 3.87Å; Y1028-L1042 HydrophobicContact CD2-CD1 4.46Å
1029	I	80.7	Confident	68.7	Low	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	92.6	-176	-65.5	-173.2	0	0	0	109.1	S870 G979 V980 L998 V1027 I1047 L1074 V1078 V1084	S870-I1029 PolarHBondContact OG-O 2.93Å; G979-I1029 CarbonylContact O-C 3.56Å; G979-I1029 WeakPolarHBondContact O-CA 3.07Å; V980-I1029 HydrophobicContact CG1-CG1 4.49Å; L998-I1029 HydrophobicContact CD1-CD1 4.34Å; V1027-I1029 HydrophobicContact CG1-CD1 4.33Å; V1027-I1029 HydrophobicContact CG1-CG1 4.02Å; I1029-I1047 HydrophobicContact CD1-CD1 4.28Å; I1029-L1074 HydrophobicContact CD1-CD1 4.22Å; I1029-V1078 HydrophobicContact CB-CG1 4.41Å; I1029-V1078 HydrophobicContact CD1-CB 4.12Å; I1029-V1078 HydrophobicContact CD1-CG1 3.93Å; I1029-V1078 HydrophobicContact CD1-CG2 4.02Å; I1029-V1078 HydrophobicContact CG2-CG1 3.96Å; I1029-V1084 HydrophobicContact CG2-CB 4.32Å; I1029-V1084 HydrophobicContact CG2-CG1 3.63Å
1030	G	70.8	Confident	68.3	Low	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.			trans	-172.4	150.5	-177.1	0	0	0	0	0	113.5	S870 G979	S870-G1030 WeakPolarHBondContact OG-CA 3.38Å; G979-G1030 CarbonylContact C-O 3.56Å; G979-G1030 WeakPolarHBondContact CA-O 3.43Å; G979-G1030 PolarHBondContact O-N 2.86Å
1031	S	60.6	Low	68.4	Low	22 Å²	22	62.2 Å²	62.2	15%	0.154	32%	0.323	C	S	.	.	S	Bend	trans	-74.1	-20.9	-174.9	48	0	0	0	0	114.9	P1113	S1031-P1113 WeakPolarHBondContact O-CB 3.27Å; S1031-P1113 WeakPolarHBondContact O-CD 3.35Å; S1031-P1113 WeakPolarHBondContact O-CG 3.35Å
1032	L	64.5	Low	69	Low	91 Å²	91	61.8 Å²	61.8	48%	0.476	31%	0.312	S	S	.	.	S	Bend	trans	-115.1	131.5	178.4	-66.9	168	0	0	0	109	Y1028 P1034 M1112	Y1028-L1032 WeakPolarHBondContact CE1-O 3.21Å; Y1028-L1032 PolarHBondContact OH-O 2.99Å; L1032-P1034 WeakPolarHBondContact O-CD 3.46Å; L1032-M1112 HydrophobicContact CD2-CE 4.13Å; L1032-M1112 HydrophobicContact CD2-SD 3.61Å
1033	L	65.9	Low	69.4	Low	23 Å²	23	62.8 Å²	62.8	12%	0.12	32%	0.317	C	S	.	.			trans	-78.8	121.2	174.9	-147.7	82.4	0	0	0	109.6	H981 R1035 V1107 G1111	H981-L1033 HydrophobicContact CB-CD1 4.02Å; H981-L1033 VanDerWaalsContact CD2-CD1 3.43Å; H981-L1033 WeakPolarHBondContact CD2-CD1 3.33Å; L1033-R1035 VanDerWaalsContact C-N 3.33Å; L1033-R1035 PolarHBondContact O-N 3.31Å; L1033-V1107 HydrophobicContact CB-CG1 4.36Å; L1033-V1107 HydrophobicContact CB-CG2 4.44Å; L1033-V1107 HydrophobicContact CD1-CG2 4.33Å; L1033-V1107 HydrophobicContact CD2-CG2 4.39Å; L1033-G1111 PolarHBondContact N-O 2.86Å
1034	P	59.8	Low	69.8	Low	33 Å²	33	64.8 Å²	64.8	21%	0.214	31%	0.313	C	S	.	.			trans	-71.4	72.7	-170.1	-23.3	36.6	0	0	0	115.9	Y1028 L1032 K1036 M1037 L1042	Y1028-P1034 HydrophobicContact CE1-CG 4.16Å; Y1028-P1034 HydrophobicContact CE2-CG 3.87Å; L1032-P1034 WeakPolarHBondContact O-CD 3.46Å; P1034-K1036 PolarHBondContact O-N 2.88Å; P1034-M1037 HydrophobicContact CB-CB 3.88Å; P1034-M1037 HydrophobicContact CB-CG 3.86Å; P1034-M1037 HydrophobicContact CB-SD 3.69Å; P1034-M1037 HydrophobicContact CG-SD 4.11Å; P1034-M1037 PolarHBondContact O-N 3Å; P1034-L1042 HydrophobicContact CB-CD1 4.44Å; P1034-L1042 HydrophobicContact CG-CD1 4.29Å
1035	R	55.9	Low	69.5	Low	122 Å²	122	60.1 Å²	60.1	46%	0.46	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-2.6	-173.4	-78.2	178.1	160	-136.8	-2	117	L1033 Q1109 H1110	L1033-R1035 VanDerWaalsContact C-N 3.33Å; L1033-R1035 PolarHBondContact O-N 3.31Å; R1035-Q1109 PolarHBondContact NH1-O 2.9Å; R1035-Q1109 PolarHBondContact NH2-O 3.38Å; R1035-H1110 WeakPolarHBondContact CD-O 3.48Å
1036	K	54.7	Low	69.2	Low	181 Å²	181	59.5 Å²	59.5	79%	0.787	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	17.7	176.3	-64	-172.5	180	179.4	0	113.3	P1034	P1034-K1036 PolarHBondContact O-N 2.88Å
1037	M	59.9	Low	69.1	Low	66 Å²	66	58.5 Å²	58.5	33%	0.325	29%	0.287	S	S	.	.			trans	-72.5	144.4	171.2	-101.8	-175.4	170.1	0	0	110.8	P1034 Q1041 L1042 T1045	P1034-M1037 HydrophobicContact CB-CB 3.88Å; P1034-M1037 HydrophobicContact CB-CG 3.86Å; P1034-M1037 HydrophobicContact CB-SD 3.69Å; P1034-M1037 HydrophobicContact CG-SD 4.11Å; P1034-M1037 PolarHBondContact O-N 3Å; M1037-Q1041 HydrophobicContact CB-CB 4.48Å; M1037-Q1041 HydrophobicContact CE-CB 4.39Å; M1037-Q1041 HydrophobicContact CG-CB 4.14Å; M1037-Q1041 HydrophobicContact SD-CB 4.18Å; M1037-L1042 HydrophobicContact CB-CB 4.42Å; M1037-T1045 HydrophobicContact CE-CG2 4.19Å; M1037-T1045 HydrophobicContact SD-CG2 4.41Å
1038	A	61.2	Low	68.9	Low	52 Å²	52	62.4 Å²	62.4	43%	0.43	31%	0.306	S	S	.	.			trans	-63.9	147.9	165.3	0	0	0	0	0	110.1	D1040 Q1041 L1042	A1038-D1040 PolarHBondContact O-N 3.06Å; A1038-Q1041 HydrophobicContact CB-CG 4.3Å; A1038-Q1041 WeakPolarHBondContact O-CA 3.28Å; A1038-Q1041 WeakPolarHBondContact O-CB 3.13Å; A1038-Q1041 PolarHBondContact O-N 2.85Å; A1038-L1042 PolarHBondContact O-N 3.39Å
1039	V	66	Low	69	Low	75 Å²	75	62.2 Å²	62.2	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-54.7	-41.2	-177.5	-179.5	0	0	0	0	111.4	I990 Q1041 L1042 N1043	I990-V1039 HydrophobicContact CD1-CG1 3.83Å; I990-V1039 HydrophobicContact CG1-CG1 4.38Å; V1039-Q1041 VanDerWaalsContact C-N 3.34Å; V1039-Q1041 PolarHBondContact O-N 3.19Å; V1039-L1042 PolarHBondContact O-N 3.33Å; V1039-N1043 VanDerWaalsContact O-CB 3.29Å; V1039-N1043 WeakPolarHBondContact O-CB 3.29Å; V1039-N1043 PolarHBondContact O-N 2.89Å
1040	D	59.8	Low	69.1	Low	117 Å²	117	63.3 Å²	63.3	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-65.5	-33.1	177.3	-55.9	-50.4	0	0	0	113.6	A1038 R1044	A1038-D1040 PolarHBondContact O-N 3.06Å; D1040-R1044 VanDerWaalsContact O-CG 3.24Å; D1040-R1044 WeakPolarHBondContact O-CG 3.28Å; D1040-R1044 PolarHBondContact O-N 3.16Å
1041	Q	65.7	Low	69.8	Low	97 Å²	97	66.8 Å²	66.8	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-73.1	-44.9	175.3	-69.1	-178.2	-9.8	0	0	110.3	M1037 A1038 V1039 N1043 R1044 T1045	M1037-Q1041 HydrophobicContact CB-CB 4.48Å; M1037-Q1041 HydrophobicContact CE-CB 4.39Å; M1037-Q1041 HydrophobicContact CG-CB 4.14Å; M1037-Q1041 HydrophobicContact SD-CB 4.18Å; A1038-Q1041 HydrophobicContact CB-CG 4.3Å; A1038-Q1041 WeakPolarHBondContact O-CA 3.28Å; A1038-Q1041 WeakPolarHBondContact O-CB 3.13Å; A1038-Q1041 PolarHBondContact O-N 2.85Å; V1039-Q1041 VanDerWaalsContact C-N 3.34Å; V1039-Q1041 PolarHBondContact O-N 3.19Å; Q1041-N1043 PolarHBondContact O-N 2.98Å; Q1041-R1044 PolarHBondContact O-N 2.75Å; Q1041-T1045 WeakPolarHBondContact O-CG2 3.25Å; Q1041-T1045 PolarHBondContact O-N 3.28Å
1042	L	69.8	Low	70.9	Confident	27 Å²	27	66.6 Å²	66.6	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-47	175.8	-176.3	62.6	0	0	0	110.8	I990 Y1028 P1034 M1037 A1038 V1039 R1044 T1045 L1046	I990-L1042 HydrophobicContact CD1-CD2 4.37Å; I990-L1042 HydrophobicContact CG2-CD2 3.87Å; Y1028-L1042 HydrophobicContact CD2-CD1 4.46Å; P1034-L1042 HydrophobicContact CB-CD1 4.44Å; P1034-L1042 HydrophobicContact CG-CD1 4.29Å; M1037-L1042 HydrophobicContact CB-CB 4.42Å; A1038-L1042 PolarHBondContact O-N 3.39Å; V1039-L1042 PolarHBondContact O-N 3.33Å; L1042-R1044 VanDerWaalsContact C-N 3.3Å; L1042-R1044 PolarHBondContact O-N 3.19Å; L1042-T1045 WeakPolarHBondContact O-CA 3.14Å; L1042-T1045 PolarHBondContact O-N 2.79Å; L1042-T1045 PolarHBondContact O-OG1 2.88Å; L1042-L1046 HydrophobicContact CG-CD1 4.49Å; L1042-L1046 WeakPolarHBondContact O-CG 3.47Å; L1042-L1046 PolarHBondContact O-N 2.99Å
1043	N	69.3	Low	71.7	Confident	69 Å²	69	64.6 Å²	64.6	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-38.5	177.8	-162.5	18	0	0	0	112.5	I990 V1039 Q1041 T1045 L1046	I990-N1043 HydrophobicContact CD1-CB 4.09Å; V1039-N1043 VanDerWaalsContact O-CB 3.29Å; V1039-N1043 WeakPolarHBondContact O-CB 3.29Å; V1039-N1043 PolarHBondContact O-N 2.89Å; Q1041-N1043 PolarHBondContact O-N 2.98Å; N1043-T1045 VanDerWaalsContact C-N 3.26Å; N1043-T1045 PolarHBondContact O-N 2.95Å; N1043-L1046 PolarHBondContact O-N 3.1Å
1044	R	70.4	Confident	72.2	Confident	207 Å²	207	64.6 Å²	64.6	78%	0.781	32%	0.324	S	S	*	.	H	α-helix	trans	-68.2	-19.4	172.9	-73	171.8	-175.9	-149.9	2.2	114.4	D1040 Q1041 L1042	D1040-R1044 VanDerWaalsContact O-CG 3.24Å; D1040-R1044 WeakPolarHBondContact O-CG 3.28Å; D1040-R1044 PolarHBondContact O-N 3.16Å; Q1041-R1044 PolarHBondContact O-N 2.75Å; L1042-R1044 VanDerWaalsContact C-N 3.3Å; L1042-R1044 PolarHBondContact O-N 3.19Å
1045	T	73.7	Confident	72.7	Confident	19 Å²	19	66.9 Å²	66.9	12%	0.117	33%	0.328	C	S	.	.	H	α-helix	trans	-95.8	-6.7	177.7	63.2	0	0	0	0	114.4	S869 M1037 Q1041 L1042 N1043	S869-T1045 PolarHBondContact OG-O 3.09Å; M1037-T1045 HydrophobicContact CE-CG2 4.19Å; M1037-T1045 HydrophobicContact SD-CG2 4.41Å; Q1041-T1045 WeakPolarHBondContact O-CG2 3.25Å; Q1041-T1045 PolarHBondContact O-N 3.28Å; L1042-T1045 WeakPolarHBondContact O-CA 3.14Å; L1042-T1045 PolarHBondContact O-N 2.79Å; L1042-T1045 PolarHBondContact O-OG1 2.88Å; N1043-T1045 VanDerWaalsContact C-N 3.26Å; N1043-T1045 PolarHBondContact O-N 2.95Å
1046	L	81.2	Confident	73.2	Confident	11 Å²	11	62.4 Å²	62.4	6%	0.058	31%	0.314	C	S	.	.			trans	-87.8	144.9	179.6	-74.4	173.8	0	0	0	111.7	F983 V985 I990 Q1026 L1042 N1043	F983-L1046 HydrophobicContact CB-CD2 4.32Å; F983-L1046 HydrophobicContact CD2-CD2 3.68Å; F983-L1046 HydrophobicContact CE2-CD2 4.26Å; F983-L1046 HydrophobicContact CG-CD2 4.11Å; V985-L1046 HydrophobicContact CG2-CD1 3.96Å; I990-L1046 HydrophobicContact CD1-CD1 4.16Å; I990-L1046 HydrophobicContact CG2-CD1 4.05Å; Q1026-L1046 HydrophobicContact CB-CB 4.01Å; Q1026-L1046 HydrophobicContact CB-CD1 4.4Å; Q1026-L1046 HydrophobicContact CB-CD2 4.43Å; Q1026-L1046 VanDerWaalsContact OE1-CD1 3.32Å; L1042-L1046 HydrophobicContact CG-CD1 4.49Å; L1042-L1046 WeakPolarHBondContact O-CG 3.47Å; L1042-L1046 PolarHBondContact O-N 2.99Å; N1043-L1046 PolarHBondContact O-N 3.1Å
1047	I	86	Confident	73.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.4	-174.2	-53.4	177.3	0	0	0	109.4	Q1026 V1027 I1029 L1074 H1076 V1078	Q1026-I1047 CarbonylContact C-O 3.57Å; Q1026-I1047 WeakPolarHBondContact CA-O 3.31Å; V1027-I1047 PolarHBondContact N-O 3.48Å; V1027-I1047 PolarHBondContact O-N 3.37Å; I1029-I1047 HydrophobicContact CD1-CD1 4.28Å; I1047-L1074 HydrophobicContact CG2-CB 4.18Å; I1047-L1074 HydrophobicContact CG2-CD1 4.2Å; I1047-L1074 HydrophobicContact CG2-CD2 4.4Å; I1047-L1074 HydrophobicContact CG2-CG 4.49Å; I1047-H1076 HydrophobicContact CG2-CB 4.37Å; I1047-V1078 HydrophobicContact CD1-CB 4.47Å; I1047-V1078 HydrophobicContact CD1-CG1 4.12Å; I1047-V1078 HydrophobicContact CD1-CG2 3.49Å; I1047-V1078 VanDerWaalsContact CD1-CG2 3.49Å
1048	E	85.5	Confident	73.7	Confident	83 Å²	83	52.6 Å²	52.6	39%	0.388	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	138.2	-178.7	-61.5	-170.2	145.6	0	0	113.1	K1075	E1048-K1075 HydrophobicContact CB-CD 3.92Å; E1048-K1075 HydrophobicContact CB-CG 4.15Å; E1048-K1075 PolarHBondContact O-N 2.85Å; E1048-K1075 VanDerWaalsContact OE2-CD 3.26Å; E1048-K1075 WeakPolarHBondContact OE2-CD 3.36Å; E1048-K1075 VanDerWaalsContact OE2-CE 3.26Å; E1048-K1075 WeakPolarHBondContact OE2-CE 3.2Å; E1048-K1075 IonicContact OE2-NZ 2.6Å; E1048-K1075 PolarHBondContact OE2-NZ 3.45Å
1049	V	87.4	Confident	73.3	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.3	167	-179.7	0	0	0	0	109.6	Y1025 V1027 N1051 V1052 L1072 L1074	Y1025-V1049 WeakPolarHBondContact O-CG2 3.11Å; Y1025-V1049 PolarHBondContact O-N 2.85Å; V1027-V1049 HydrophobicContact CG2-CG2 4.08Å; V1049-N1051 WeakPolarHBondContact CG1-O 3.39Å; V1049-V1052 HydrophobicContact CG1-CG2 3.88Å; V1049-L1072 HydrophobicContact CG1-CB 4.21Å; V1049-L1072 HydrophobicContact CG2-CB 4.24Å; V1049-L1072 HydrophobicContact CG2-CD1 4.19Å; V1049-L1074 HydrophobicContact CG2-CD2 4.28Å
1050	G	84.1	Confident	72.5	Confident	23 Å²	23	51.2 Å²	51.2	24%	0.237	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-60	170.3	0	0	0	0	0	111.3	N1022 K1073	N1022-G1050 PolarHBondContact ND2-O 3.03Å; G1050-K1073 WeakPolarHBondContact CA-O 3.14Å; G1050-K1073 PolarHBondContact N-O 3.36Å
1051	N	84.8	Confident	72.3	Confident	74 Å²	74	49 Å²	49	40%	0.396	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.6	-178.5	-67.7	7.2	0	0	0	111.5	V1049 Y1053 K1073	V1049-N1051 WeakPolarHBondContact CG1-O 3.39Å; N1051-Y1053 HydrophobicContact CB-CD2 4.17Å; N1051-Y1053 HydrophobicContact CB-CE2 3.45Å; N1051-Y1053 VanDerWaalsContact CB-CE2 3.45Å; N1051-Y1053 PolarHBondContact ND2-OH 2.72Å; N1051-K1073 HydrophobicContact CB-CB 4.22Å; N1051-K1073 PolarHBondContact N-O 2.97Å; N1051-K1073 VanDerWaalsContact N-O 3.12Å; N1051-K1073 PolarHBondContact O-N 2.95Å
1052	V	84.2	Confident	71.7	Confident	18 Å²	18	47.5 Å²	47.5	11%	0.109	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	170.5	178.5	0	0	0	0	108.5	V1017 N1022 V1049 T1070 L1072	V1017-V1052 HydrophobicContact CG1-CG1 3.78Å; V1017-V1052 HydrophobicContact CG1-CG2 4.25Å; N1022-V1052 HydrophobicContact CB-CG2 4.29Å; V1049-V1052 HydrophobicContact CG1-CG2 3.88Å; V1052-T1070 HydrophobicContact CG1-CG2 3.64Å; V1052-L1072 HydrophobicContact CG1-CD2 4.22Å; V1052-L1072 HydrophobicContact CG2-CD2 4.1Å
1053	Y	81.8	Confident	71	Confident	48 Å²	48	51.3 Å²	51.3	19%	0.188	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	96.9	174.9	-57.7	-91	0	0	0	109.4	N1051 T1070 M1071 K1073 V1209	N1051-Y1053 HydrophobicContact CB-CD2 4.17Å; N1051-Y1053 HydrophobicContact CB-CE2 3.45Å; N1051-Y1053 VanDerWaalsContact CB-CE2 3.45Å; N1051-Y1053 PolarHBondContact ND2-OH 2.72Å; Y1053-T1070 WeakPolarHBondContact O-CA 3.43Å; Y1053-M1071 HydrophobicContact CD2-CE 3.41Å; Y1053-M1071 VanDerWaalsContact CD2-CE 3.41Å; Y1053-M1071 HydrophobicContact CE2-CE 3.89Å; Y1053-M1071 HydrophobicContact CG-CE 4.1Å; Y1053-M1071 PolarHBondContact N-O 2.98Å; Y1053-M1071 PolarHBondContact O-N 3.21Å; Y1053-K1073 HydrophobicContact CE2-CB 4.02Å; Y1053-K1073 HydrophobicContact CE2-CD 4.43Å; Y1053-V1209 WeakPolarHBondContact O-CG1 3.29Å
1054	A	76.4	Confident	70.5	Confident	24 Å²	24	48.4 Å²	48.4	20%	0.198	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.9	-177.9	0	0	0	0	0	111.4	P1019 P1056 T1070	P1019-A1054 HydrophobicContact CB-CB 3.95Å; P1019-A1054 HydrophobicContact CG-CB 4.3Å; A1054-P1056 WeakPolarHBondContact O-CD 3.27Å; A1054-T1070 HydrophobicContact CB-CG2 3.92Å; A1054-T1070 WeakPolarHBondContact CB-OG1 3.15Å
1055	R	69.4	Low	70.1	Confident	80 Å²	80	42.6 Å²	42.6	30%	0.302	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	78.7	175	-161.4	-175.5	-160	-170.6	13.8	110	E542 F1057 M1069 V1209	E542-R1055 IonicContact OE1-NH2 2.62Å; R1055-F1057 PolarHBondContact O-N 3.45Å; R1055-M1069 PolarHBondContact N-O 2.62Å; R1055-V1209 HydrophobicContact CB-CG2 3.96Å
1056	P	66.2	Low	69.9	Low	28 Å²	28	44.9 Å²	44.9	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	122.7	168.8	25.4	-33.3	0	0	0	108.9	A1054 Y1058 E1059 K1065	A1054-P1056 WeakPolarHBondContact O-CD 3.27Å; P1056-Y1058 PolarHBondContact O-N 2.99Å; P1056-Y1058 VanDerWaalsContact O-N 3.09Å; P1056-E1059 HydrophobicContact CG-CB 4.35Å; P1056-E1059 HydrophobicContact CG-CG 4.49Å; P1056-K1065 WeakPolarHBondContact CB-O 3.44Å
1057	F	63.6	Low	69.6	Low	27 Å²	27	44.4 Å²	44.4	12%	0.118	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.4	-178.8	-60.8	-58.9	0	0	0	112.3	R1055 I1067 M1069 V1138 V1199	R1055-F1057 PolarHBondContact O-N 3.45Å; F1057-I1067 HydrophobicContact CD2-CG2 4.46Å; F1057-I1067 PolarHBondContact N-O 3.23Å; F1057-M1069 HydrophobicContact CE1-CE 4.16Å; F1057-M1069 HydrophobicContact CZ-CE 3.74Å; F1057-V1138 HydrophobicContact CD2-CB 4.35Å; F1057-V1138 HydrophobicContact CE2-CB 4.28Å; F1057-V1199 HydrophobicContact CE2-CG1 3.73Å; F1057-V1199 HydrophobicContact CE2-CG2 4.24Å; F1057-V1199 HydrophobicContact CZ-CG1 4.06Å
1058	Y	61.4	Low	69.3	Low	14 Å²	14	44.2 Å²	44.2	6%	0.055	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.9	47	-163.2	-54.7	-66.7	0	0	0	113.5	R520 P1056 G1060 Y1061 K1065 V1138	R520-Y1058 HydrophobicContact CB-CD1 3.88Å; R520-Y1058 HydrophobicContact CB-CE1 3.58Å; R520-Y1058 HydrophobicContact CG-CD1 3.96Å; R520-Y1058 HydrophobicContact CG-CE1 3.55Å; R520-Y1058 VanDerWaalsContact CZ-CG 3.44Å; R520-Y1058 VanDerWaalsContact NH2-CD2 3.27Å; R520-Y1058 VanDerWaalsContact NH2-CE2 3.3Å; P1056-Y1058 PolarHBondContact O-N 2.99Å; P1056-Y1058 VanDerWaalsContact O-N 3.09Å; Y1058-G1060 PolarHBondContact O-N 3.48Å; Y1058-Y1061 PolarHBondContact O-N 3.11Å; Y1058-Y1061 VanDerWaalsContact O-N 3.14Å; Y1058-K1065 WeakPolarHBondContact O-CA 3.39Å; Y1058-V1138 HydrophobicContact CE2-CG2 3.85Å; Y1058-V1138 WeakPolarHBondContact OH-CG2 3.11Å
1059	E	53.6	Low	69.2	Low	74 Å²	74	40.6 Å²	40.6	35%	0.346	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-15.4	177.2	-160.3	-176.3	158	0	0	114.9	I576 N577 P1056	I576-E1059 HydrophobicContact CD1-CB 4.37Å; I576-E1059 VanDerWaalsContact CD1-OE2 3.24Å; I576-E1059 WeakPolarHBondContact CD1-OE2 3.21Å; I576-E1059 HydrophobicContact CG2-CB 4.14Å; I576-E1059 HydrophobicContact CG2-CG 3.78Å; I576-E1059 VanDerWaalsContact CG2-OE1 3.31Å; I576-E1059 WeakPolarHBondContact CG2-OE1 3.26Å; N577-E1059 PolarHBondContact ND2-OE1 2.83Å; N577-E1059 VanDerWaalsContact ND2-OE1 3.16Å; P1056-E1059 HydrophobicContact CG-CB 4.35Å; P1056-E1059 HydrophobicContact CG-CG 4.49Å
1060	G	48.2	Very low	69.2	Low	25 Å²	25	40.2 Å²	40.2	26%	0.258	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	33	178.6	0	0	0	0	0	118.4	Y1058	Y1058-G1060 PolarHBondContact O-N 3.48Å
1061	Y	55.5	Low	69.4	Low	71 Å²	71	39.3 Å²	39.3	28%	0.278	20%	0.195	S	C	.	.			trans	-141.1	108.4	173.7	-70.5	-98.4	0	0	0	110.7	R520 K521 Y1058 E1063 L1064 K1065	R520-Y1061 HydrophobicContact CB-CE2 4.11Å; K521-Y1061 HydrophobicContact CD-CE1 4.4Å; K521-Y1061 VanDerWaalsContact CD-OH 3.24Å; K521-Y1061 WeakPolarHBondContact CD-OH 3.34Å; K521-Y1061 VanDerWaalsContact CG-OH 3.27Å; K521-Y1061 WeakPolarHBondContact CG-OH 3.5Å; Y1058-Y1061 PolarHBondContact O-N 3.11Å; Y1058-Y1061 VanDerWaalsContact O-N 3.14Å; Y1061-E1063 PolarHBondContact O-N 2.89Å; Y1061-L1064 CarbonylContact O-C 3.59Å; Y1061-L1064 VanDerWaalsContact O-C 3.3Å; Y1061-L1064 PolarHBondContact O-N 3.26Å; Y1061-K1065 WeakPolarHBondContact O-CA 3.4Å; Y1061-K1065 WeakPolarHBondContact O-CB 3.33Å; Y1061-K1065 PolarHBondContact O-N 2.85Å
1062	D	53.4	Low	69.6	Low	64 Å²	64	35.8 Å²	35.8	34%	0.342	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-56.9	-47.2	-166.7	-82.5	-60.4	0	0	0	116.4	A706 L1064 K1065	A706-D1062 WeakPolarHBondContact CB-OD2 3.4Å; D1062-L1064 PolarHBondContact O-N 2.89Å; D1062-K1065 WeakPolarHBondContact O-CE 3.38Å; D1062-K1065 WeakPolarHBondContact O-CG 3.47Å; D1062-K1065 WeakPolarHBondContact OD1-CE 2.94Å; D1062-K1065 IonicContact OD1-NZ 2.72Å; D1062-K1065 PolarHBondContact OD1-NZ 2.7Å
1063	E	55.5	Low	69.9	Low	107 Å²	107	38 Å²	38	50%	0.5	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-54.6	-22.7	175.7	-68.3	-165.7	118	0	0	113.9	Y1061 K1133	Y1061-E1063 PolarHBondContact O-N 2.89Å; E1063-K1133 WeakPolarHBondContact OE1-CE 3.45Å; E1063-K1133 IonicContact OE1-NZ 2.76Å; E1063-K1133 PolarHBondContact OE1-NZ 3.26Å; E1063-K1133 IonicContact OE2-NZ 2.95Å
1064	L	59.4	Low	70.2	Confident	9 Å²	9	35.9 Å²	35.9	5%	0.047	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-143.2	12.1	-157.6	-55.8	159.3	0	0	0	113.1	R520 Y1061 D1062 N1066 I1067	R520-L1064 VanDerWaalsContact CZ-CB 3.44Å; R520-L1064 PolarHBondContact NH1-O 2.97Å; Y1061-L1064 CarbonylContact O-C 3.59Å; Y1061-L1064 VanDerWaalsContact O-C 3.3Å; Y1061-L1064 PolarHBondContact O-N 3.26Å; D1062-L1064 PolarHBondContact O-N 2.89Å; L1064-N1066 VanDerWaalsContact C-N 3.27Å; L1064-N1066 PolarHBondContact O-N 3.16Å; L1064-I1067 HydrophobicContact CB-CD1 4.08Å; L1064-I1067 HydrophobicContact CB-CG1 4.42Å; L1064-I1067 HydrophobicContact CD2-CD1 3.49Å; L1064-I1067 VanDerWaalsContact CD2-CD1 3.49Å; L1064-I1067 HydrophobicContact CG-CD1 4.39Å; L1064-I1067 PolarHBondContact O-N 2.92Å
1065	K	61.7	Low	70.5	Confident	85 Å²	85	40.4 Å²	40.4	37%	0.37	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.2	-179.6	61.6	-170.5	161.9	-172.2	0	112.4	P1056 Y1058 Y1061 D1062 I1067	P1056-K1065 WeakPolarHBondContact CB-O 3.44Å; Y1058-K1065 WeakPolarHBondContact O-CA 3.39Å; Y1061-K1065 WeakPolarHBondContact O-CA 3.4Å; Y1061-K1065 WeakPolarHBondContact O-CB 3.33Å; Y1061-K1065 PolarHBondContact O-N 2.85Å; D1062-K1065 WeakPolarHBondContact O-CE 3.38Å; D1062-K1065 WeakPolarHBondContact O-CG 3.47Å; D1062-K1065 WeakPolarHBondContact OD1-CE 2.94Å; D1062-K1065 IonicContact OD1-NZ 2.72Å; D1062-K1065 PolarHBondContact OD1-NZ 2.7Å; K1065-I1067 VanDerWaalsContact C-N 3.28Å; K1065-I1067 PolarHBondContact O-N 2.81Å
1066	N	69.5	Low	71.1	Confident	66 Å²	66	39.3 Å²	39.3	35%	0.353	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8	176.9	-67	3.3	0	0	0	112.9	S1014 R1015 L1064 G1068	S1014-N1066 CarbonylContact C-O 3.18Å; S1014-N1066 WeakPolarHBondContact CB-O 3.24Å; R1015-N1066 HydrophobicContact CB-CB 4.12Å; R1015-N1066 HydrophobicContact CG-CB 4.33Å; R1015-N1066 PolarHBondContact N-O 2.81Å; L1064-N1066 VanDerWaalsContact C-N 3.27Å; L1064-N1066 PolarHBondContact O-N 3.16Å; N1066-G1068 PolarHBondContact O-N 3.44Å
1067	I	74	Confident	71.8	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	20%	0.201	C	C	.	.			trans	-82.2	113.1	-177.2	-53.3	-171.5	0	0	0	110.1	F1057 L1064 K1065 M1139 V1199	F1057-I1067 HydrophobicContact CD2-CG2 4.46Å; F1057-I1067 PolarHBondContact N-O 3.23Å; L1064-I1067 HydrophobicContact CB-CD1 4.08Å; L1064-I1067 HydrophobicContact CB-CG1 4.42Å; L1064-I1067 HydrophobicContact CD2-CD1 3.49Å; L1064-I1067 VanDerWaalsContact CD2-CD1 3.49Å; L1064-I1067 HydrophobicContact CG-CD1 4.39Å; L1064-I1067 PolarHBondContact O-N 2.92Å; K1065-I1067 VanDerWaalsContact C-N 3.28Å; K1065-I1067 PolarHBondContact O-N 2.81Å; I1067-M1139 HydrophobicContact CD1-CE 3.52Å; I1067-M1139 HydrophobicContact CG2-CE 3.9Å; I1067-V1199 HydrophobicContact CG2-CG2 3.71Å
1068	G	78.9	Confident	72.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-175.5	-178.2	0	0	0	0	0	110.9	S1014 N1066	S1014-G1068 PolarHBondContact N-O 2.75Å; S1014-G1068 VanDerWaalsContact OG-C 3.3Å; N1066-G1068 PolarHBondContact O-N 3.44Å
1069	M	85.2	Confident	72.8	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.2	167.4	67.4	-171.6	73.3	0	0	109.9	S1014 R1055 F1057 I1170 L1201 N1205 V1209	S1014-M1069 PolarHBondContact OG-N 3.42Å; S1014-M1069 PolarHBondContact OG-O 3.35Å; S1014-M1069 VanDerWaalsContact OG-O 3.1Å; R1055-M1069 PolarHBondContact N-O 2.62Å; F1057-M1069 HydrophobicContact CE1-CE 4.16Å; F1057-M1069 HydrophobicContact CZ-CE 3.74Å; M1069-I1170 HydrophobicContact CB-CD1 4.22Å; M1069-L1201 HydrophobicContact CE-CD2 3.86Å; M1069-L1201 HydrophobicContact SD-CD2 4.22Å; M1069-N1205 HydrophobicContact CE-CB 3.87Å; M1069-N1205 HydrophobicContact SD-CB 4.15Å; M1069-V1209 HydrophobicContact CG-CG2 4Å; M1069-V1209 HydrophobicContact SD-CG2 4.03Å
1070	T	87.2	Confident	73.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129	170.2	-63	0	0	0	0	109.3	T1012 S1014 V1017 V1052 Y1053 A1054 L1072	T1012-T1070 PolarHBondContact N-O 2.65Å; T1012-T1070 PolarHBondContact O-N 2.9Å; S1014-T1070 VanDerWaalsContact CA-OG1 3.24Å; S1014-T1070 WeakPolarHBondContact CA-OG1 3.44Å; S1014-T1070 WeakPolarHBondContact CB-OG1 3.24Å; S1014-T1070 PolarHBondContact OG-OG1 2.95Å; V1017-T1070 HydrophobicContact CB-CG2 3.99Å; V1017-T1070 HydrophobicContact CG1-CG2 4.17Å; V1017-T1070 WeakPolarHBondContact O-CB 3.43Å; V1017-T1070 WeakPolarHBondContact O-CG2 3.4Å; V1017-T1070 PolarHBondContact O-OG1 3.34Å; V1052-T1070 HydrophobicContact CG1-CG2 3.64Å; Y1053-T1070 WeakPolarHBondContact O-CA 3.43Å; A1054-T1070 HydrophobicContact CB-CG2 3.92Å; A1054-T1070 WeakPolarHBondContact CB-OG1 3.15Å; T1070-L1072 HydrophobicContact CG2-CD2 3.8Å
1071	M	87.9	Confident	74.5	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.1	171.4	-169.5	-159	74.8	0	0	108.5	E1009 V1010 V1011 Y1053 V1206 V1209 Q1210	E1009-M1071 HydrophobicContact CB-CG 4.41Å; E1009-M1071 HydrophobicContact CB-SD 4.27Å; E1009-M1071 HydrophobicContact CG-CE 4.31Å; E1009-M1071 HydrophobicContact CG-SD 3.96Å; V1010-M1071 CarbonylContact O-C 3.45Å; V1010-M1071 WeakPolarHBondContact O-CA 3.36Å; V1011-M1071 HydrophobicContact CG2-CG 4.27Å; Y1053-M1071 HydrophobicContact CD2-CE 3.41Å; Y1053-M1071 VanDerWaalsContact CD2-CE 3.41Å; Y1053-M1071 HydrophobicContact CE2-CE 3.89Å; Y1053-M1071 HydrophobicContact CG-CE 4.1Å; Y1053-M1071 PolarHBondContact N-O 2.98Å; Y1053-M1071 PolarHBondContact O-N 3.21Å; M1071-V1206 HydrophobicContact SD-CG1 4.04Å; M1071-V1209 HydrophobicContact CB-CG1 4.3Å; M1071-Q1210 HydrophobicContact CE-CG 3.72Å; M1071-Q1210 HydrophobicContact SD-CG 3.9Å; M1071-Q1210 PolarHBondContact SD-NE2 3.12Å
1072	L	89.5	Confident	74.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131	171.5	-46.6	178.8	0	0	0	108.1	I982 E1009 V1010 V1017 V1027 V1049 V1052 T1070	I982-L1072 HydrophobicContact CD1-CD1 3.71Å; I982-L1072 HydrophobicContact CG1-CD1 3.99Å; E1009-L1072 WeakPolarHBondContact CA-O 3.45Å; V1010-L1072 HydrophobicContact CB-CB 4.31Å; V1010-L1072 HydrophobicContact CG1-CD1 4.45Å; V1010-L1072 PolarHBondContact N-O 3.46Å; V1010-L1072 PolarHBondContact O-N 3.37Å; V1017-L1072 HydrophobicContact CB-CD2 3.97Å; V1017-L1072 HydrophobicContact CG1-CD2 3.7Å; V1017-L1072 HydrophobicContact CG2-CD1 4.32Å; V1017-L1072 HydrophobicContact CG2-CD2 4.03Å; V1027-L1072 HydrophobicContact CG2-CD1 4.06Å; V1049-L1072 HydrophobicContact CG1-CB 4.21Å; V1049-L1072 HydrophobicContact CG2-CB 4.24Å; V1049-L1072 HydrophobicContact CG2-CD1 4.19Å; V1052-L1072 HydrophobicContact CG1-CD2 4.22Å; V1052-L1072 HydrophobicContact CG2-CD2 4.1Å; T1070-L1072 HydrophobicContact CG2-CD2 3.8Å
1073	K	88.6	Confident	74.7	Confident	63 Å²	63	36.5 Å²	36.5	27%	0.274	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108	167.3	-169	174.4	-175.4	63	0	108.9	D1008 G1050 N1051 Y1053	D1008-K1073 VanDerWaalsContact CG-NZ 3.29Å; D1008-K1073 CarbonylContact O-C 3.49Å; D1008-K1073 VanDerWaalsContact O-CA 3.22Å; D1008-K1073 WeakPolarHBondContact O-CA 3.24Å; D1008-K1073 IonicContact OD1-NZ 3.52Å; D1008-K1073 PolarHBondContact OD1-NZ 3.2Å; D1008-K1073 VanDerWaalsContact OD2-CE 3.29Å; D1008-K1073 WeakPolarHBondContact OD2-CE 3.31Å; D1008-K1073 IonicContact OD2-NZ 3.63Å; D1008-K1073 PolarHBondContact OD2-NZ 2.68Å; G1050-K1073 WeakPolarHBondContact CA-O 3.14Å; G1050-K1073 PolarHBondContact N-O 3.36Å; N1051-K1073 HydrophobicContact CB-CB 4.22Å; N1051-K1073 PolarHBondContact N-O 2.97Å; N1051-K1073 VanDerWaalsContact N-O 3.12Å; N1051-K1073 PolarHBondContact O-N 2.95Å; Y1053-K1073 HydrophobicContact CE2-CB 4.02Å; Y1053-K1073 HydrophobicContact CE2-CD 4.43Å
1074	L	88.4	Confident	75.2	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	152.1	177	-54.8	-179.9	0	0	0	110.6	D1008 V1010 V1027 I1029 I1047 V1049 H1076 V1078	D1008-L1074 HydrophobicContact CB-CB 4.2Å; D1008-L1074 PolarHBondContact O-N 2.81Å; V1010-L1074 HydrophobicContact CG2-CD1 4.04Å; V1010-L1074 HydrophobicContact CG2-CD2 4.4Å; V1010-L1074 HydrophobicContact CG2-CG 4.31Å; V1027-L1074 HydrophobicContact CB-CD2 4.02Å; V1027-L1074 HydrophobicContact CG2-CD2 3.64Å; I1029-L1074 HydrophobicContact CD1-CD1 4.22Å; I1047-L1074 HydrophobicContact CG2-CB 4.18Å; I1047-L1074 HydrophobicContact CG2-CD1 4.2Å; I1047-L1074 HydrophobicContact CG2-CD2 4.4Å; I1047-L1074 HydrophobicContact CG2-CG 4.49Å; V1049-L1074 HydrophobicContact CG2-CD2 4.28Å; L1074-H1076 VanDerWaalsContact C-N 3.28Å; L1074-H1076 WeakPolarHBondContact CB-O 3.46Å; L1074-V1078 HydrophobicContact CD1-CG2 3.74Å
1075	K	84.4	Confident	75.5	Confident	119 Å²	119	32.1 Å²	32.1	52%	0.517	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-24.4	172.4	-64.6	-168.3	-168.1	170.3	0	112.8	E1048	E1048-K1075 HydrophobicContact CB-CD 3.92Å; E1048-K1075 HydrophobicContact CB-CG 4.15Å; E1048-K1075 PolarHBondContact O-N 2.85Å; E1048-K1075 VanDerWaalsContact OE2-CD 3.26Å; E1048-K1075 WeakPolarHBondContact OE2-CD 3.36Å; E1048-K1075 VanDerWaalsContact OE2-CE 3.26Å; E1048-K1075 WeakPolarHBondContact OE2-CE 3.2Å; E1048-K1075 IonicContact OE2-NZ 2.6Å; E1048-K1075 PolarHBondContact OE2-NZ 3.45Å
1076	H	81	Confident	76.3	Confident	57 Å²	57	29.8 Å²	29.8	26%	0.264	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.2	-179.5	-50.5	104.6	0	0	0	110.6	Y866 I1047 L1074	Y866-H1076 HydrophobicContact CD2-CB 4.2Å; Y866-H1076 AromaticContact CD2-CD2 3.88Å; Y866-H1076 AromaticContact CD2-CG 3.81Å; Y866-H1076 HydrophobicContact CG-CB 4.29Å; I1047-H1076 HydrophobicContact CG2-CB 4.37Å; L1074-H1076 VanDerWaalsContact C-N 3.28Å; L1074-H1076 WeakPolarHBondContact CB-O 3.46Å
1077	R	80.1	Confident	76.7	Confident	110 Å²	110	27.2 Å²	27.2	42%	0.415	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.7	178.4	-47.8	178.8	66.6	-170.3	3	111.2	Y1006 D1008	Y1006-R1077 HydrophobicContact CD1-CB 4.17Å; Y1006-R1077 PolarHBondContact O-NE 3.22Å; Y1006-R1077 PolarHBondContact O-NH2 2.9Å; D1008-R1077 HydrophobicContact CB-CB 4.42Å; D1008-R1077 HydrophobicContact CB-CG 3.99Å
1078	V	75.1	Confident	77	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.5	-167.2	-163.4	0	0	0	0	111.6	Y1006 S1007 I1029 I1047 L1074	Y1006-V1078 VanDerWaalsContact CA-O 3.28Å; Y1006-V1078 WeakPolarHBondContact CA-O 3.43Å; S1007-V1078 PolarHBondContact N-O 3.05Å; S1007-V1078 PolarHBondContact O-N 2.6Å; I1029-V1078 HydrophobicContact CB-CG1 4.41Å; I1029-V1078 HydrophobicContact CD1-CB 4.12Å; I1029-V1078 HydrophobicContact CD1-CG1 3.93Å; I1029-V1078 HydrophobicContact CD1-CG2 4.02Å; I1029-V1078 HydrophobicContact CG2-CG1 3.96Å; I1047-V1078 HydrophobicContact CD1-CB 4.47Å; I1047-V1078 HydrophobicContact CD1-CG1 4.12Å; I1047-V1078 HydrophobicContact CD1-CG2 3.49Å; I1047-V1078 VanDerWaalsContact CD1-CG2 3.49Å; L1074-V1078 HydrophobicContact CD1-CG2 3.74Å
1079	K	72.6	Confident	77.1	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.1	-177.6	-172	-174.8	-178.5	165.6	0	110.8	K254 E872 I1081	K254-K1079 HydrophobicContact CB-CD 3.81Å; K254-K1079 HydrophobicContact CB-CG 4.45Å; K254-K1079 HydrophobicContact CD-CB 3.99Å; K254-K1079 HydrophobicContact CD-CD 3.73Å; K254-K1079 HydrophobicContact CD-CG 3.94Å; K254-K1079 HydrophobicContact CG-CD 4.43Å; K254-K1079 PolarHBondContact O-NZ 2.85Å; E872-K1079 IonicContact OE1-NZ 2.69Å; E872-K1079 PolarHBondContact OE1-NZ 2.84Å; E872-K1079 IonicContact OE2-NZ 2.68Å; K1079-I1081 HydrophobicContact CB-CG2 4.26Å; K1079-I1081 HydrophobicContact CD-CG2 3.57Å; K1079-I1081 HydrophobicContact CG-CG2 3.75Å; K1079-I1081 PolarHBondContact O-N 3.05Å
1080	V	72.5	Confident	76.8	Confident	12 Å²	12	31 Å²	31	7%	0.073	15%	0.152	C	C	.	.			trans	-75.5	117.4	165.5	173.3	0	0	0	0	109.2	H206 L998 A1000 E1005 Q1085 P1086	H206-V1080 PolarHBondContact ND1-O 2.82Å; H206-V1080 VanDerWaalsContact ND1-O 3.13Å; L998-V1080 HydrophobicContact CD2-CG2 3.98Å; A1000-V1080 HydrophobicContact CB-CG2 4.03Å; E1005-V1080 WeakPolarHBondContact O-CB 3.27Å; E1005-V1080 WeakPolarHBondContact O-CG2 3.41Å; E1005-V1080 PolarHBondContact O-N 3.45Å; V1080-Q1085 HydrophobicContact CG1-CB 4.45Å; V1080-P1086 VanDerWaalsContact CG1-CD 3.46Å; V1080-P1086 HydrophobicContact CG1-CG 4.29Å; V1080-P1086 HydrophobicContact CG2-CG 4.48Å
1081	I	65	Low	75.7	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	18%	0.178	C	C	.	.			trans	-127	156.2	-175.9	50.6	168.2	0	0	0	111.4	S870 L871 K1079 G1083 V1084 Q1085	S870-I1081 WeakPolarHBondContact OG-CD1 3.36Å; L871-I1081 HydrophobicContact CD1-CB 4.4Å; L871-I1081 HydrophobicContact CD1-CD1 3.56Å; K1079-I1081 HydrophobicContact CB-CG2 4.26Å; K1079-I1081 HydrophobicContact CD-CG2 3.57Å; K1079-I1081 HydrophobicContact CG-CG2 3.75Å; K1079-I1081 PolarHBondContact O-N 3.05Å; I1081-G1083 PolarHBondContact O-N 3.3Å; I1081-V1084 HydrophobicContact CD1-CB 4.28Å; I1081-V1084 HydrophobicContact CD1-CG2 3.75Å; I1081-V1084 HydrophobicContact CG1-CB 3.88Å; I1081-V1084 HydrophobicContact CG1-CG2 3.89Å; I1081-V1084 CarbonylContact O-C 3.58Å; I1081-V1084 PolarHBondContact O-N 3.35Å; I1081-Q1085 PolarHBondContact O-N 3.16Å
1082	N	55.4	Low	74.5	Confident	100 Å²	100	39.5 Å²	39.5	54%	0.535	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135.2	167.7	-74	-0.5	0	0	0	109.4	V1084	N1082-V1084 VanDerWaalsContact C-N 3.28Å; N1082-V1084 PolarHBondContact O-N 2.88Å
1083	G	57.1	Low	72.9	Confident	10 Å²	10	41.5 Å²	41.5	10%	0.103	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-9.5	-175.2	0	0	0	0	0	115.6	A977 I1081	A977-G1083 VanDerWaalsContact O-O 3.11Å; I1081-G1083 PolarHBondContact O-N 3.3Å
1084	V	65.2	Low	71.9	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.018	22%	0.221	C	C	.	.	S	Bend	trans	-137.9	36.5	172.7	-155.3	0	0	0	0	111.9	G979 V980 I1029 I1081 N1082	G979-V1084 VanDerWaalsContact O-CG1 3.28Å; G979-V1084 WeakPolarHBondContact O-CG1 3.25Å; V980-V1084 HydrophobicContact CG2-CG1 3.48Å; V980-V1084 VanDerWaalsContact CG2-CG1 3.48Å; I1029-V1084 HydrophobicContact CG2-CB 4.32Å; I1029-V1084 HydrophobicContact CG2-CG1 3.63Å; I1081-V1084 HydrophobicContact CD1-CB 4.28Å; I1081-V1084 HydrophobicContact CD1-CG2 3.75Å; I1081-V1084 HydrophobicContact CG1-CB 3.88Å; I1081-V1084 HydrophobicContact CG1-CG2 3.89Å; I1081-V1084 CarbonylContact O-C 3.58Å; I1081-V1084 PolarHBondContact O-N 3.35Å; N1082-V1084 VanDerWaalsContact C-N 3.28Å; N1082-V1084 PolarHBondContact O-N 2.88Å
1085	Q	66.8	Low	71.3	Confident	20 Å²	20	43.6 Å²	43.6	9%	0.093	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-83.7	147.4	-174.4	71.3	-154.7	-44.1	0	0	113.4	P975 V1080 I1081	P975-Q1085 PolarHBondContact O-NE2 2.86Å; V1080-Q1085 HydrophobicContact CG1-CB 4.45Å; I1081-Q1085 PolarHBondContact O-N 3.16Å
1086	P	77.3	Confident	71.2	Confident	36 Å²	36	38.7 Å²	38.7	23%	0.234	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-69	148.2	170.4	32	-37.3	0	0	0	110.9	L998 A1000 V1080	L998-P1086 VanDerWaalsContact O-CB 3.24Å; L998-P1086 WeakPolarHBondContact O-CB 3.36Å; A1000-P1086 HydrophobicContact CB-CB 4.33Å; A1000-P1086 HydrophobicContact CB-CG 3.96Å; V1080-P1086 VanDerWaalsContact CG1-CD 3.46Å; V1080-P1086 HydrophobicContact CG1-CG 4.29Å; V1080-P1086 HydrophobicContact CG2-CG 4.48Å
1087	F	79.4	Confident	71.3	Confident	13 Å²	13	38.4 Å²	38.4	6%	0.057	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-100.5	141.9	165.4	-71.4	-80	0	0	0	110.1	L974 V1158 W1165 Q1167	L974-F1087 HydrophobicContact CD1-CE1 4.1Å; L974-F1087 HydrophobicContact CD1-CZ 4.36Å; F1087-V1158 HydrophobicContact CB-CG2 4.5Å; F1087-V1158 HydrophobicContact CD1-CG1 3.56Å; F1087-V1158 HydrophobicContact CD1-CG2 4.12Å; F1087-V1158 HydrophobicContact CD2-CG2 3.67Å; F1087-V1158 HydrophobicContact CE1-CG1 3.74Å; F1087-V1158 HydrophobicContact CE1-CG2 4.26Å; F1087-V1158 HydrophobicContact CE2-CG2 3.82Å; F1087-V1158 HydrophobicContact CG-CG1 4.04Å; F1087-V1158 HydrophobicContact CG-CG2 3.83Å; F1087-V1158 HydrophobicContact CZ-CG1 4.34Å; F1087-V1158 HydrophobicContact CZ-CG2 4.11Å; F1087-W1165 HydrophobicContact CD1-CB 4.31Å; F1087-W1165 HydrophobicContact CE1-CB 4.26Å; F1087-Q1167 HydrophobicContact CB-CB 3.71Å
1088	P	79.1	Confident	71.5	Confident	49 Å²	49	35.2 Å²	35.2	32%	0.318	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-67.6	142	179	28	-34.3	0	0	0	111.1	W1165 V1166 Q1167	P1088-W1165 WeakPolarHBondContact CD-O 3.48Å; P1088-W1165 WeakPolarHBondContact CG-O 3.33Å; P1088-V1166 HydrophobicContact CG-CG2 4.4Å; P1088-V1166 WeakPolarHBondContact O-CG1 3.22Å; P1088-Q1167 PolarHBondContact O-N 2.82Å
1089	L	82.1	Confident	71.8	Confident	34 Å²	34	46.6 Å²	46.6	18%	0.178	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-78.9	150.3	173.8	-57.7	-171.4	0	0	0	111.3	Y999 Q1167 L1201 V1206	Y999-L1089 HydrophobicContact CD2-CD1 4.24Å; Y999-L1089 HydrophobicContact CE2-CD1 3.7Å; Y999-L1089 HydrophobicContact CE2-CG 4.17Å; L1089-Q1167 HydrophobicContact CD2-CB 4.45Å; L1089-L1201 HydrophobicContact CD2-CB 4.21Å; L1089-L1201 HydrophobicContact CD2-CD1 3.57Å; L1089-L1201 HydrophobicContact CD2-CG 4.49Å; L1089-V1206 HydrophobicContact CD1-CG2 3.72Å
1090	P	77.3	Confident	72.5	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.019	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.6	147.8	175.6	28.3	-36.8	0	0	0	112.2	T1094 V1166 Q1167 F1168 L1201 G1203	P1090-T1094 WeakPolarHBondContact CB-O 3.46Å; P1090-T1094 WeakPolarHBondContact CB-OG1 3.14Å; P1090-V1166 HydrophobicContact CB-CG1 4.14Å; P1090-Q1167 WeakPolarHBondContact CD-O 3.33Å; P1090-F1168 HydrophobicContact CB-CD1 3.75Å; P1090-F1168 HydrophobicContact CB-CE1 3.69Å; P1090-F1168 HydrophobicContact CG-CD1 3.85Å; P1090-F1168 HydrophobicContact CG-CE1 4.32Å; P1090-F1168 HydrophobicContact CG-CG 4.5Å; P1090-L1201 WeakPolarHBondContact CG-O 3.5Å; P1090-G1203 PolarHBondContact O-N 3.48Å
1091	Y	65.4	Low	73.2	Confident	138 Å²	138	50.5 Å²	50.5	54%	0.541	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-63	145.2	169.6	-62.5	-82.3	0	0	0	110.4	G1093 T1094	Y1091-G1093 PolarHBondContact O-N 3.28Å; Y1091-G1093 VanDerWaalsContact O-N 3.16Å; Y1091-T1094 PolarHBondContact N-OG1 2.75Å; Y1091-T1094 PolarHBondContact O-N 3.46Å; Y1091-T1094 PolarHBondContact O-OG1 2.99Å
1092	S	61.4	Low	74.5	Confident	45 Å²	45	50.2 Å²	50.2	32%	0.315	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	118.9	179.6	-43.6	0	0	0	0	110.8	D1204	S1092-D1204 PolarHBondContact OG-OD2 3.31Å
1093	G	56.5	Low	76.1	Confident	43 Å²	43	47.4 Å²	47.4	44%	0.443	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-9.4	-172.2	0	0	0	0	0	116.4	Y1091	Y1091-G1093 PolarHBondContact O-N 3.28Å; Y1091-G1093 VanDerWaalsContact O-N 3.16Å
1094	T	67.8	Low	77.6	Confident	70 Å²	70	47 Å²	47	43%	0.429	26%	0.258	S	S	.	.			trans	-90.3	112	171.9	59.3	0	0	0	0	110.8	P1090 Y1091	P1090-T1094 WeakPolarHBondContact CB-O 3.46Å; P1090-T1094 WeakPolarHBondContact CB-OG1 3.14Å; Y1091-T1094 PolarHBondContact N-OG1 2.75Å; Y1091-T1094 PolarHBondContact O-N 3.46Å; Y1091-T1094 PolarHBondContact O-OG1 2.99Å
1095	G	75	Confident	78.3	Confident	41 Å²	41	46.9 Å²	46.9	42%	0.423	26%	0.257	S	S	.	.			trans	-104	155.6	179.9	0	0	0	0	0	113.5	Y1140 F1168	G1095-Y1140 VanDerWaalsContact CA-OH 3.29Å; G1095-Y1140 WeakPolarHBondContact CA-OH 3.47Å; G1095-F1168 VanDerWaalsContact C-CE1 3.48Å
1096	A	84.3	Confident	78.9	Confident	16 Å²	16	46 Å²	46	13%	0.132	25%	0.253	C	S	.	.			trans	-70.1	151.9	166.9	0	0	0	0	0	110.6	M1100 L1120 Y1140 F1168	A1096-M1100 HydrophobicContact CB-SD 4.22Å; A1096-L1120 HydrophobicContact CB-CD1 3.59Å; A1096-Y1140 HydrophobicContact CB-CD1 4.21Å; A1096-Y1140 HydrophobicContact CB-CE1 3.73Å; A1096-Y1140 HydrophobicContact CB-CE2 4.1Å; A1096-Y1140 PolarHBondContact N-OH 2.93Å; A1096-F1168 HydrophobicContact CB-CB 3.91Å; A1096-F1168 HydrophobicContact CB-CD1 3.9Å; A1096-F1168 HydrophobicContact CB-CD2 4.09Å; A1096-F1168 HydrophobicContact CB-CE1 4.39Å; A1096-F1168 HydrophobicContact CB-CG 3.71Å
1097	S	82.4	Confident	78.9	Confident	52 Å²	52	44.3 Å²	44.3	36%	0.364	24%	0.242	S	C	.	.			trans	-128.4	157.8	176.9	77.3	0	0	0	0	111	R1099 M1100	S1097-R1099 PolarHBondContact O-N 3.16Å; S1097-R1099 PolarHBondContact OG-N 2.67Å; S1097-M1100 PolarHBondContact O-N 3.13Å
1098	S	83.6	Confident	78.8	Confident	43 Å²	43	43.8 Å²	43.8	30%	0.301	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-3.8	175.4	52.6	0	0	0	0	114.8	Q1119 L1120 T1122	S1098-Q1119 PolarHBondContact O-NE2 3.18Å; S1098-L1120 WeakPolarHBondContact CA-O 3.27Å; S1098-L1120 WeakPolarHBondContact CB-O 3.32Å; S1098-T1122 WeakPolarHBondContact OG-CG2 3.41Å
1099	R	82.5	Confident	78.6	Confident	239 Å²	239	47.3 Å²	47.3	90%	0.902	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-3.1	174.1	-60.5	-174.6	-178.6	-169.9	-0.8	113.8	S1097	S1097-R1099 PolarHBondContact O-N 3.16Å; S1097-R1099 PolarHBondContact OG-N 2.67Å
1100	M	87.4	Confident	78	Confident	38 Å²	38	49.5 Å²	49.5	19%	0.187	26%	0.261	C	S	.	.	S	Bend	trans	-87.3	135.1	175.5	-67.5	170.4	174.9	0	0	109.6	A1096 S1097 C1102 C1159 Q1160 F1168	A1096-M1100 HydrophobicContact CB-SD 4.22Å; S1097-M1100 PolarHBondContact O-N 3.13Å; M1100-C1102 PolarHBondContact O-N 3.49Å; M1100-C1159 HydrophobicContact CB-CB 4.11Å; M1100-C1159 HydrophobicContact SD-CB 4.37Å; M1100-Q1160 WeakPolarHBondContact CG-O 3.35Å; M1100-F1168 HydrophobicContact CE-CZ 4.34Å; M1100-F1168 HydrophobicContact SD-CE2 4.16Å; M1100-F1168 HydrophobicContact SD-CZ 4.18Å
1101	Q	87.3	Confident	77.5	Confident	61 Å²	61	49.5 Å²	49.5	29%	0.285	26%	0.262	S	S	.	.			trans	-66.3	125.1	164.7	-69.6	179.7	-21.9	0	0	108.3	Y1103 C1159 Q1160	Q1101-Y1103 HydrophobicContact CB-CE2 4.35Å; Q1101-C1159 CarbonylContact O-C 3.59Å; Q1101-C1159 VanDerWaalsContact O-CA 3.3Å; Q1101-C1159 WeakPolarHBondContact O-CA 3.4Å; Q1101-Q1160 PolarHBondContact O-N 2.87Å
1102	C	90.8	Very high	77.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.3	-177.6	-60.4	0	0	0	0	110.8	M1100 Y1118 L1120 L1157 V1158 C1159	M1100-C1102 PolarHBondContact O-N 3.49Å; C1102-Y1118 WeakPolarHBondContact CB-O 3.42Å; C1102-Y1118 PolarHBondContact O-N 3.12Å; C1102-L1120 HydrophobicContact CB-CG 4.33Å; C1102-L1120 WeakPolarHBondContact SG-CD1 3.46Å; C1102-L1157 HydrophobicContact CB-CD1 3.99Å; C1102-V1158 CarbonylContact C-O 3.49Å; C1102-V1158 VanDerWaalsContact CA-O 3.29Å; C1102-V1158 WeakPolarHBondContact CA-O 3.26Å; C1102-C1159 HydrophobicContact CB-CB 4.04Å; C1102-C1159 WeakPolarHBondContact CB-SG 3.24Å; C1102-C1159 WeakPolarHBondContact SG-CB 3.31Å; C1102-C1159 CovalentContact SG-SG 2.04Å; C1102-C1159 PolarHBondContact SG-SG 3.38Å
1103	Y	89.4	Confident	77.9	Confident	40 Å²	40	44.5 Å²	44.5	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.8	179	-63.7	-94.4	0	0	0	109.9	L974 Q1101 R1115 V1116 Q1117 V1158 W1165	L974-Y1103 HydrophobicContact CD2-CD2 4.06Å; L974-Y1103 HydrophobicContact CD2-CG 3.97Å; Q1101-Y1103 HydrophobicContact CB-CE2 4.35Å; Y1103-R1115 HydrophobicContact CD1-CB 4.3Å; Y1103-V1116 CarbonylContact C-O 3.59Å; Y1103-V1116 VanDerWaalsContact CA-O 3.28Å; Y1103-V1116 WeakPolarHBondContact CA-O 3.41Å; Y1103-Q1117 HydrophobicContact CD1-CB 3.9Å; Y1103-Q1117 HydrophobicContact CD1-CG 4.32Å; Y1103-Q1117 HydrophobicContact CE1-CB 3.56Å; Y1103-Q1117 HydrophobicContact CE1-CG 3.79Å; Y1103-Q1117 PolarHBondContact OH-OE1 2.79Å; Y1103-V1158 PolarHBondContact N-O 2.96Å; Y1103-V1158 PolarHBondContact O-N 2.9Å; Y1103-W1165 AromaticContact CD2-CH2 3.9Å; Y1103-W1165 HydrophobicContact CD2-CH2 3.9Å; Y1103-W1165 AromaticContact CD2-CZ3 3.83Å; Y1103-W1165 HydrophobicContact CD2-CZ3 3.83Å; Y1103-W1165 AromaticContact CE2-CH2 3.75Å; Y1103-W1165 HydrophobicContact CE2-CH2 3.75Å; Y1103-W1165 HydrophobicContact CE2-CZ3 4.12Å
1104	I	88.7	Confident	78.7	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	157.4	157.2	61.1	176.4	0	0	0	110.6	R1115 V1116 Y1118 L1149 P1156 L1157 Y1171 F1198	I1104-R1115 WeakPolarHBondContact O-CA 3.3Å; I1104-V1116 HydrophobicContact CG1-CB 3.91Å; I1104-V1116 HydrophobicContact CG1-CG2 4.4Å; I1104-V1116 PolarHBondContact N-O 2.77Å; I1104-V1116 PolarHBondContact O-N 2.87Å; I1104-Y1118 HydrophobicContact CD1-CD2 3.89Å; I1104-Y1118 HydrophobicContact CD1-CE2 3.31Å; I1104-Y1118 HydrophobicContact CG1-CD2 3.73Å; I1104-Y1118 HydrophobicContact CG1-CE2 3.63Å; I1104-Y1118 HydrophobicContact CG2-CD2 4.32Å; I1104-L1149 HydrophobicContact CB-CD1 4.43Å; I1104-L1149 HydrophobicContact CD1-CD1 3.6Å; I1104-L1149 HydrophobicContact CG1-CD1 3.71Å; I1104-P1156 WeakPolarHBondContact CA-O 3.44Å; I1104-L1157 HydrophobicContact CG2-CD1 4.37Å; I1104-Y1171 HydrophobicContact CD1-CD2 3.9Å; I1104-Y1171 HydrophobicContact CD1-CE2 4.19Å; I1104-F1198 HydrophobicContact CG2-CE1 3.68Å; I1104-F1198 HydrophobicContact CG2-CZ 4.32Å
1105	S	81	Confident	79.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	-178.9	-62.3	0	0	0	0	111.9	S1155	S1105-S1155 VanDerWaalsContact O-CB 3.3Å; S1105-S1155 WeakPolarHBondContact O-CB 3.26Å; S1105-S1155 PolarHBondContact O-OG 3.25Å
1106	G	79.2	Confident	79.6	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-148.2	178.5	0	0	0	0	0	109.6	P1113 V1114 L1149	G1106-P1113 WeakPolarHBondContact O-CA 3.35Å; G1106-V1114 PolarHBondContact N-O 2.79Å; G1106-V1114 PolarHBondContact O-N 2.9Å; G1106-L1149 VanDerWaalsContact C-CD2 3.47Å
1107	V	76.6	Confident	79.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.6	176.3	-66.8	0	0	0	0	112	L1033 M1112 L1149 Q1150	L1033-V1107 HydrophobicContact CB-CG1 4.36Å; L1033-V1107 HydrophobicContact CB-CG2 4.44Å; L1033-V1107 HydrophobicContact CD1-CG2 4.33Å; L1033-V1107 HydrophobicContact CD2-CG2 4.39Å; V1107-M1112 CarbonylContact C-O 3.57Å; V1107-M1112 VanDerWaalsContact CA-O 3.22Å; V1107-M1112 WeakPolarHBondContact CA-O 3.47Å; V1107-L1149 WeakPolarHBondContact O-CA 2.98Å; V1107-L1149 WeakPolarHBondContact O-CD2 3.49Å; V1107-Q1150 HydrophobicContact CG2-CB 4.46Å; V1107-Q1150 PolarHBondContact O-N 2.88Å
1108	C	76.7	Confident	80.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.007	18%	0.183	C	C	.	.			trans	-86.5	179.8	175.6	70.3	0	0	0	0	113.1	H1110 G1111 M1112 V1114 V1148	C1108-H1110 PolarHBondContact O-N 2.84Å; C1108-H1110 PolarHBondContact SG-N 2.7Å; C1108-H1110 VanDerWaalsContact SG-N 3.42Å; C1108-G1111 PolarHBondContact O-N 3.04Å; C1108-M1112 PolarHBondContact N-O 3.2Å; C1108-V1114 HydrophobicContact CB-CB 4.36Å; C1108-V1114 HydrophobicContact CB-CG1 3.68Å; C1108-V1114 HydrophobicContact CB-CG2 3.73Å; C1108-V1148 VanDerWaalsContact CA-O 3.24Å; C1108-V1148 WeakPolarHBondContact CA-O 3.36Å; C1108-V1148 VanDerWaalsContact CB-O 3.31Å; C1108-V1148 WeakPolarHBondContact CB-O 3.31Å
1109	Q	75.2	Confident	80.3	Confident	123 Å²	123	42.6 Å²	42.6	58%	0.575	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	1.9	173.9	70.8	157.2	29.9	0	0	115.3	R1035	R1035-Q1109 PolarHBondContact NH1-O 2.9Å; R1035-Q1109 PolarHBondContact NH2-O 3.38Å
1110	H	69.2	Low	80.7	Confident	80 Å²	80	31.4 Å²	31.4	37%	0.37	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-4.4	171.1	-51.6	133	0	0	0	113.2	R1035 C1108 M1112	R1035-H1110 WeakPolarHBondContact CD-O 3.48Å; C1108-H1110 PolarHBondContact O-N 2.84Å; C1108-H1110 PolarHBondContact SG-N 2.7Å; C1108-H1110 VanDerWaalsContact SG-N 3.42Å; H1110-M1112 VanDerWaalsContact C-N 3.28Å; H1110-M1112 HydrophobicContact CB-CG 4.41Å
1111	G	67.6	Low	80.8	Confident	3 Å²	3	31.1 Å²	31.1	3%	0.031	15%	0.146	C	C	.	.	S	Bend	trans	81.9	1.3	-176.7	0	0	0	0	0	114.7	L1033 C1108	L1033-G1111 PolarHBondContact N-O 2.86Å; C1108-G1111 PolarHBondContact O-N 3.04Å
1112	M	65.4	Low	80.7	Confident	74 Å²	74	30.1 Å²	30.1	37%	0.365	15%	0.145	S	C	.	.			trans	-79.6	149.5	176	-63	-61.6	-71.4	0	0	111.3	L1032 V1107 C1108 H1110	L1032-M1112 HydrophobicContact CD2-CE 4.13Å; L1032-M1112 HydrophobicContact CD2-SD 3.61Å; V1107-M1112 CarbonylContact C-O 3.57Å; V1107-M1112 VanDerWaalsContact CA-O 3.22Å; V1107-M1112 WeakPolarHBondContact CA-O 3.47Å; C1108-M1112 PolarHBondContact N-O 3.2Å; H1110-M1112 VanDerWaalsContact C-N 3.28Å; H1110-M1112 HydrophobicContact CB-CG 4.41Å
1113	P	70.2	Confident	80.4	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.032	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.9	173.9	28.1	-32.8	0	0	0	111	I898 V900 A977 S1031 G1106	I898-P1113 HydrophobicContact CB-CG 4.43Å; I898-P1113 PolarHBondContact N-O 3.38Å; V900-P1113 HydrophobicContact CG2-CG 4.43Å; A977-P1113 HydrophobicContact CB-CB 3.65Å; S1031-P1113 WeakPolarHBondContact O-CB 3.27Å; S1031-P1113 WeakPolarHBondContact O-CD 3.35Å; S1031-P1113 WeakPolarHBondContact O-CG 3.35Å; G1106-P1113 WeakPolarHBondContact O-CA 3.35Å
1114	V	73.1	Confident	79.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	165.2	-179.3	-53.1	0	0	0	0	111.9	G1106 C1108 V1148 L1149	G1106-V1114 PolarHBondContact N-O 2.79Å; G1106-V1114 PolarHBondContact O-N 2.9Å; C1108-V1114 HydrophobicContact CB-CB 4.36Å; C1108-V1114 HydrophobicContact CB-CG1 3.68Å; C1108-V1114 HydrophobicContact CB-CG2 3.73Å; V1114-V1148 HydrophobicContact CG2-CG1 4.24Å; V1114-L1149 HydrophobicContact CG2-CD2 3.49Å; V1114-L1149 VanDerWaalsContact CG2-CD2 3.49Å; V1114-L1149 HydrophobicContact CG2-CG 4.48Å
1115	R	79.9	Confident	79.7	Confident	19 Å²	19	39.2 Å²	39.2	7%	0.072	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.7	171.9	-69	142.6	177.1	-179.5	2.9	110.9	E896 I898 L974 G976 Y1103 I1104	E896-R1115 IonicContact OE1-NH1 2.69Å; E896-R1115 VanDerWaalsContact OE2-CD 3.27Å; E896-R1115 WeakPolarHBondContact OE2-CD 3.36Å; E896-R1115 IonicContact OE2-CZ 3.43Å; E896-R1115 IonicContact OE2-NH1 3.43Å; E896-R1115 PolarHBondContact OE2-NH1 3.5Å; I898-R1115 HydrophobicContact CD1-CG 4.14Å; L974-R1115 VanDerWaalsContact C-NH2 3.27Å; L974-R1115 HydrophobicContact CD2-CG 4.16Å; L974-R1115 PolarHBondContact O-NH1 3.03Å; L974-R1115 PolarHBondContact O-NH2 3Å; G976-R1115 VanDerWaalsContact N-NH2 3.17Å; G976-R1115 PolarHBondContact O-NE 2.98Å; G976-R1115 PolarHBondContact O-NH2 2.79Å; Y1103-R1115 HydrophobicContact CD1-CB 4.3Å; I1104-R1115 WeakPolarHBondContact O-CA 3.3Å
1116	V	82.2	Confident	79.9	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.3	170.8	-168.4	0	0	0	0	107.8	Y1103 I1104 Y1118 Q1145 V1148 L1149	Y1103-V1116 CarbonylContact C-O 3.59Å; Y1103-V1116 VanDerWaalsContact CA-O 3.28Å; Y1103-V1116 WeakPolarHBondContact CA-O 3.41Å; I1104-V1116 HydrophobicContact CG1-CB 3.91Å; I1104-V1116 HydrophobicContact CG1-CG2 4.4Å; I1104-V1116 PolarHBondContact N-O 2.77Å; I1104-V1116 PolarHBondContact O-N 2.87Å; V1116-Y1118 HydrophobicContact CB-CD2 4.35Å; V1116-Y1118 HydrophobicContact CB-CE2 4.07Å; V1116-Y1118 HydrophobicContact CG1-CD2 4.18Å; V1116-Y1118 HydrophobicContact CG1-CE2 3.75Å; V1116-Q1145 HydrophobicContact CG1-CB 3.97Å; V1116-V1148 HydrophobicContact CG2-CB 3.72Å; V1116-V1148 HydrophobicContact CG2-CG1 3.7Å; V1116-L1149 HydrophobicContact CG2-CD1 4.2Å; V1116-L1149 HydrophobicContact CG2-CG 3.83Å
1117	Q	85.9	Confident	80	Confident	102 Å²	102	46 Å²	46	48%	0.477	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.4	173.9	-169.5	169.5	-45.3	0	0	109.6	Y1103	Y1103-Q1117 HydrophobicContact CD1-CB 3.9Å; Y1103-Q1117 HydrophobicContact CD1-CG 4.32Å; Y1103-Q1117 HydrophobicContact CE1-CB 3.56Å; Y1103-Q1117 HydrophobicContact CE1-CG 3.79Å; Y1103-Q1117 PolarHBondContact OH-OE1 2.79Å
1118	Y	89.6	Confident	80.1	Confident	9 Å²	9	52.6 Å²	52.6	4%	0.035	26%	0.261	C	S	.	.			trans	-124.7	119.7	174.7	-93.4	-95.4	0	0	0	110.5	C1102 I1104 V1116 L1120 V1143 A1196 F1198	C1102-Y1118 WeakPolarHBondContact CB-O 3.42Å; C1102-Y1118 PolarHBondContact O-N 3.12Å; I1104-Y1118 HydrophobicContact CD1-CD2 3.89Å; I1104-Y1118 HydrophobicContact CD1-CE2 3.31Å; I1104-Y1118 HydrophobicContact CG1-CD2 3.73Å; I1104-Y1118 HydrophobicContact CG1-CE2 3.63Å; I1104-Y1118 HydrophobicContact CG2-CD2 4.32Å; V1116-Y1118 HydrophobicContact CB-CD2 4.35Å; V1116-Y1118 HydrophobicContact CB-CE2 4.07Å; V1116-Y1118 HydrophobicContact CG1-CD2 4.18Å; V1116-Y1118 HydrophobicContact CG1-CE2 3.75Å; Y1118-L1120 PolarHBondContact O-N 2.75Å; Y1118-V1143 CarbonylContact C-O 3.59Å; Y1118-V1143 WeakPolarHBondContact CA-O 3.48Å; Y1118-V1143 VanDerWaalsContact CD1-C 3.48Å; Y1118-V1143 VanDerWaalsContact CD1-O 3.28Å; Y1118-V1143 WeakPolarHBondContact CD1-O 3.32Å; Y1118-A1196 HydrophobicContact CD1-CB 4.29Å; Y1118-A1196 HydrophobicContact CE1-CB 3.6Å; Y1118-F1198 HydrophobicContact CD1-CE2 4.17Å; Y1118-F1198 AromaticContact CD1-CZ 3.72Å; Y1118-F1198 HydrophobicContact CD1-CZ 3.72Å; Y1118-F1198 HydrophobicContact CE1-CZ 4.14Å; Y1118-F1198 HydrophobicContact CG-CZ 4.01Å
1119	Q	89.5	Confident	80.2	Confident	92 Å²	92	57.7 Å²	57.7	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.2	171	178.3	52.1	60.8	0	0	108.5	S1098 L1121 G1142 V1143	S1098-Q1119 PolarHBondContact O-NE2 3.18Å; Q1119-L1121 PolarHBondContact O-N 2.69Å; Q1119-G1142 CarbonylContact O-C 3.58Å; Q1119-G1142 WeakPolarHBondContact O-CA 3.48Å; Q1119-V1143 HydrophobicContact CB-CG2 4.1Å; Q1119-V1143 PolarHBondContact N-O 2.01Å; Q1119-V1143 PolarHBondContact O-N 2.8Å
1120	L	90.9	Very high	80.4	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.5	175.2	-70	-173.7	0	0	0	110.7	A1096 S1098 C1102 Y1118 L1157 F1198	A1096-L1120 HydrophobicContact CB-CD1 3.59Å; S1098-L1120 WeakPolarHBondContact CA-O 3.27Å; S1098-L1120 WeakPolarHBondContact CB-O 3.32Å; C1102-L1120 HydrophobicContact CB-CG 4.33Å; C1102-L1120 WeakPolarHBondContact SG-CD1 3.46Å; Y1118-L1120 PolarHBondContact O-N 2.75Å; L1120-L1157 HydrophobicContact CD1-CD2 4.36Å; L1120-L1157 HydrophobicContact CD2-CD1 4.24Å; L1120-L1157 HydrophobicContact CD2-CD2 3.99Å; L1120-F1198 HydrophobicContact CD2-CD2 4.3Å; L1120-F1198 HydrophobicContact CD2-CE2 4.24Å
1121	L	88.8	Confident	80.8	Confident	32 Å²	32	50.5 Å²	50.5	17%	0.168	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-92	153.5	176.1	-68.1	-179.1	0	0	0	110.3	Q1119 E1125 C1141 V1143	Q1119-L1121 PolarHBondContact O-N 2.69Å; L1121-E1125 HydrophobicContact CB-CB 4.02Å; L1121-E1125 HydrophobicContact CD1-CB 4.34Å; L1121-E1125 HydrophobicContact CD2-CB 4.31Å; L1121-E1125 HydrophobicContact CG-CB 4.46Å; L1121-C1141 PolarHBondContact N-O 3.03Å; L1121-V1143 HydrophobicContact CD1-CG1 4.17Å
1122	T	85.7	Confident	80.8	Confident	40 Å²	40	60.2 Å²	60.2	25%	0.245	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-68	159.6	173.2	67.8	0	0	0	0	111.2	S1098 T1124 E1125 C1126	S1098-T1122 WeakPolarHBondContact OG-CG2 3.41Å; T1122-T1124 PolarHBondContact O-N 3.43Å; T1122-T1124 PolarHBondContact OG1-N 2.91Å; T1122-E1125 WeakPolarHBondContact CA-OE2 3.28Å; T1122-E1125 WeakPolarHBondContact CB-OE2 3.29Å; T1122-E1125 VanDerWaalsContact CG2-OE2 3.24Å; T1122-E1125 WeakPolarHBondContact CG2-OE2 3.44Å; T1122-E1125 PolarHBondContact N-OE2 2.73Å; T1122-E1125 PolarHBondContact O-N 3.27Å; T1122-E1125 PolarHBondContact OG1-N 2.84Å; T1122-E1125 PolarHBondContact OG1-OE2 3.24Å; T1122-C1126 WeakPolarHBondContact O-CB 3.43Å; T1122-C1126 PolarHBondContact O-N 2.72Å; T1122-C1126 PolarHBondContact O-SG 3.17Å; T1122-C1126 VanDerWaalsContact O-SG 3.41Å
1123	P	83.1	Confident	81	Confident	67 Å²	67	60.1 Å²	60.1	44%	0.435	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.8	173.7	-27.2	36.5	0	0	0	115.1	K1127 F1134 P1136	P1123-K1127 VanDerWaalsContact O-CB 3.3Å; P1123-K1127 WeakPolarHBondContact O-CB 3.45Å; P1123-F1134 HydrophobicContact CB-CE1 4.22Å; P1123-P1136 HydrophobicContact CB-CB 4Å; P1123-P1136 HydrophobicContact CB-CG 4.15Å; P1123-P1136 HydrophobicContact CG-CB 4.29Å
1124	T	80.2	Confident	81.3	Confident	95 Å²	95	60.6 Å²	60.6	58%	0.583	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-51.7	175.3	-54.5	0	0	0	0	110.8	T1122 K1127 Q1128	T1122-T1124 PolarHBondContact O-N 3.43Å; T1122-T1124 PolarHBondContact OG1-N 2.91Å; T1124-K1127 CarbonylContact O-C 3.56Å; T1124-K1127 WeakPolarHBondContact O-CB 3.26Å; T1124-K1127 PolarHBondContact O-N 2.67Å; T1124-K1127 VanDerWaalsContact O-N 3.1Å; T1124-Q1128 PolarHBondContact O-N 2.92Å
1125	E	84.9	Confident	81.4	Confident	73 Å²	73	61.1 Å²	61.1	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-47.4	178.2	-68.8	144.2	164.4	0	0	110.8	L1121 T1122 K1127 Q1128 H1129	L1121-E1125 HydrophobicContact CB-CB 4.02Å; L1121-E1125 HydrophobicContact CD1-CB 4.34Å; L1121-E1125 HydrophobicContact CD2-CB 4.31Å; L1121-E1125 HydrophobicContact CG-CB 4.46Å; T1122-E1125 WeakPolarHBondContact CA-OE2 3.28Å; T1122-E1125 WeakPolarHBondContact CB-OE2 3.29Å; T1122-E1125 VanDerWaalsContact CG2-OE2 3.24Å; T1122-E1125 WeakPolarHBondContact CG2-OE2 3.44Å; T1122-E1125 PolarHBondContact N-OE2 2.73Å; T1122-E1125 PolarHBondContact O-N 3.27Å; T1122-E1125 PolarHBondContact OG1-N 2.84Å; T1122-E1125 PolarHBondContact OG1-OE2 3.24Å; E1125-K1127 PolarHBondContact O-N 2.87Å; E1125-K1127 VanDerWaalsContact O-N 3.11Å; E1125-Q1128 WeakPolarHBondContact O-CA 3.49Å; E1125-Q1128 WeakPolarHBondContact O-CB 3.37Å; E1125-Q1128 PolarHBondContact O-N 2.97Å; E1125-H1129 PolarHBondContact O-CD2 3.46Å; E1125-H1129 PolarHBondContact O-N 2.62Å
1126	C	84.4	Confident	81.3	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.7	-33.6	173.6	-69.4	0	0	0	0	113.3	T1122 L1130 F1134 C1141	T1122-C1126 WeakPolarHBondContact O-CB 3.43Å; T1122-C1126 PolarHBondContact O-N 2.72Å; T1122-C1126 PolarHBondContact O-SG 3.17Å; T1122-C1126 VanDerWaalsContact O-SG 3.41Å; C1126-L1130 VanDerWaalsContact O-CB 3.25Å; C1126-L1130 WeakPolarHBondContact O-CB 3.32Å; C1126-L1130 PolarHBondContact O-N 3.01Å; C1126-F1134 HydrophobicContact CB-CD1 3.43Å; C1126-F1134 VanDerWaalsContact CB-CD1 3.43Å; C1126-F1134 HydrophobicContact CB-CD2 3.87Å; C1126-F1134 HydrophobicContact CB-CE1 3.28Å; C1126-F1134 HydrophobicContact CB-CE2 3.74Å; C1126-F1134 HydrophobicContact CB-CG 3.72Å; C1126-F1134 HydrophobicContact CB-CZ 3.43Å; C1126-F1134 VanDerWaalsContact CB-CZ 3.43Å; C1126-C1141 WeakPolarHBondContact CA-SG 3.5Å; C1126-C1141 HydrophobicContact CB-CB 3.96Å; C1126-C1141 WeakPolarHBondContact CB-SG 3.08Å; C1126-C1141 WeakPolarHBondContact SG-CB 3.29Å; C1126-C1141 CovalentContact SG-SG 2.03Å; C1126-C1141 PolarHBondContact SG-SG 2.91Å
1127	K	80.2	Confident	80.7	Confident	142 Å²	142	61.9 Å²	61.9	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-79.9	-25.6	176.8	-175.3	-176	172.5	-165.9	0	112.7	P1123 T1124 E1125 G1131 F1134	P1123-K1127 VanDerWaalsContact O-CB 3.3Å; P1123-K1127 WeakPolarHBondContact O-CB 3.45Å; T1124-K1127 CarbonylContact O-C 3.56Å; T1124-K1127 WeakPolarHBondContact O-CB 3.26Å; T1124-K1127 PolarHBondContact O-N 2.67Å; T1124-K1127 VanDerWaalsContact O-N 3.1Å; E1125-K1127 PolarHBondContact O-N 2.87Å; E1125-K1127 VanDerWaalsContact O-N 3.11Å; K1127-G1131 WeakPolarHBondContact O-CA 3.22Å; K1127-G1131 PolarHBondContact O-N 2.82Å; K1127-F1134 HydrophobicContact CB-CD1 4.43Å
1128	Q	79.6	Confident	80.2	Confident	142 Å²	142	57.2 Å²	57.2	66%	0.664	29%	0.291	S	S	*	.	H	α-helix	trans	-69.9	-48.6	170.4	-71.1	165.5	-41.3	0	0	110.6	T1124 E1125	T1124-Q1128 PolarHBondContact O-N 2.92Å; E1125-Q1128 WeakPolarHBondContact O-CA 3.49Å; E1125-Q1128 WeakPolarHBondContact O-CB 3.37Å; E1125-Q1128 PolarHBondContact O-N 2.97Å
1129	H	79.3	Confident	80	Confident	107 Å²	107	56.9 Å²	56.9	50%	0.495	29%	0.29	S	S	.	.	H	α-helix	trans	-71.8	-43	179.9	-63.9	-75.8	0	0	0	113.7	E1125 V1195	E1125-H1129 PolarHBondContact O-CD2 3.46Å; E1125-H1129 PolarHBondContact O-N 2.62Å; H1129-V1195 HydrophobicContact CB-CG1 4.49Å; H1129-V1195 HydrophobicContact CB-CG2 4.07Å
1130	L	78.4	Confident	80.1	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-109.1	-0.7	-169.5	-52.4	-178.8	0	0	0	114.1	C1126 K1132 K1133 F1134 C1141 F1175 V1195 L1197	C1126-L1130 VanDerWaalsContact O-CB 3.25Å; C1126-L1130 WeakPolarHBondContact O-CB 3.32Å; C1126-L1130 PolarHBondContact O-N 3.01Å; L1130-K1132 PolarHBondContact O-N 3.26Å; L1130-K1132 VanDerWaalsContact O-N 3.1Å; L1130-K1133 PolarHBondContact O-N 3.33Å; L1130-F1134 HydrophobicContact CB-CB 3.81Å; L1130-F1134 HydrophobicContact CD1-CB 4.11Å; L1130-C1141 HydrophobicContact CD1-CB 4.08Å; L1130-F1175 HydrophobicContact CD1-CD2 4.35Å; L1130-F1175 HydrophobicContact CD1-CE2 4.47Å; L1130-F1175 HydrophobicContact CD2-CB 4.03Å; L1130-F1175 HydrophobicContact CD2-CD2 3.42Å; L1130-F1175 VanDerWaalsContact CD2-CD2 3.42Å; L1130-F1175 HydrophobicContact CD2-CE2 4.07Å; L1130-F1175 HydrophobicContact CD2-CG 3.91Å; L1130-F1175 HydrophobicContact CG-CD2 4.48Å; L1130-V1195 HydrophobicContact CD1-CG1 3.95Å; L1130-V1195 HydrophobicContact CD2-CB 4.2Å; L1130-V1195 HydrophobicContact CD2-CG1 4.04Å; L1130-V1195 HydrophobicContact CG-CG1 4.06Å; L1130-L1197 HydrophobicContact CD1-CD1 4.34Å; L1130-L1197 HydrophobicContact CD1-CD2 3.45Å; L1130-L1197 VanDerWaalsContact CD1-CD2 3.45Å; L1130-L1197 HydrophobicContact CD1-CG 3.76Å
1131	G	77.9	Confident	80	Confident	36 Å²	36	53.5 Å²	53.5	37%	0.371	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-114	174.3	0	0	0	0	0	113.8	K1127	K1127-G1131 WeakPolarHBondContact O-CA 3.22Å; K1127-G1131 PolarHBondContact O-N 2.82Å
1132	K	68.4	Low	80.1	Confident	208 Å²	208	52 Å²	52	90%	0.904	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.3	-178.9	-64.8	173.1	-175.1	164.1	0	113.9	L1130	L1130-K1132 PolarHBondContact O-N 3.26Å; L1130-K1132 VanDerWaalsContact O-N 3.1Å
1133	K	68.6	Low	80.2	Confident	72 Å²	72	51.5 Å²	51.5	31%	0.313	26%	0.262	S	S	.	.	S	Bend	trans	-81.3	-29.4	-176	-58.1	-166.3	-175.9	-168.7	0	112.3	E1063 L1130 F1175	E1063-K1133 WeakPolarHBondContact OE1-CE 3.45Å; E1063-K1133 IonicContact OE1-NZ 2.76Å; E1063-K1133 PolarHBondContact OE1-NZ 3.26Å; E1063-K1133 IonicContact OE2-NZ 2.95Å; L1130-K1133 PolarHBondContact O-N 3.33Å; K1133-F1175 HydrophobicContact CB-CZ 4.34Å; K1133-F1175 HydrophobicContact CD-CE1 3.85Å; K1133-F1175 HydrophobicContact CD-CZ 3.82Å
1134	F	78	Confident	80.1	Confident	14 Å²	14	48.6 Å²	48.6	6%	0.061	24%	0.244	C	C	.	.			trans	-81.5	133.2	175.1	172.2	-110.8	0	0	0	113.2	P1123 C1126 K1127 L1130 P1136 M1139 C1141 L1197	P1123-F1134 HydrophobicContact CB-CE1 4.22Å; C1126-F1134 HydrophobicContact CB-CD1 3.43Å; C1126-F1134 VanDerWaalsContact CB-CD1 3.43Å; C1126-F1134 HydrophobicContact CB-CD2 3.87Å; C1126-F1134 HydrophobicContact CB-CE1 3.28Å; C1126-F1134 HydrophobicContact CB-CE2 3.74Å; C1126-F1134 HydrophobicContact CB-CG 3.72Å; C1126-F1134 HydrophobicContact CB-CZ 3.43Å; C1126-F1134 VanDerWaalsContact CB-CZ 3.43Å; K1127-F1134 HydrophobicContact CB-CD1 4.43Å; L1130-F1134 HydrophobicContact CB-CB 3.81Å; L1130-F1134 HydrophobicContact CD1-CB 4.11Å; F1134-P1136 HydrophobicContact CD1-CG 4.39Å; F1134-P1136 HydrophobicContact CE1-CB 3.75Å; F1134-P1136 VanDerWaalsContact CE1-CD 3.46Å; F1134-P1136 HydrophobicContact CE1-CG 3.68Å; F1134-P1136 HydrophobicContact CZ-CB 3.62Å; F1134-P1136 HydrophobicContact CZ-CG 4.1Å; F1134-M1139 HydrophobicContact CD2-CB 3.76Å; F1134-M1139 HydrophobicContact CD2-SD 4.43Å; F1134-M1139 HydrophobicContact CE2-CB 3.76Å; F1134-M1139 WeakPolarHBondContact CE2-O 3.16Å; F1134-C1141 HydrophobicContact CD2-CB 4.31Å; F1134-C1141 HydrophobicContact CE2-CB 4.29Å; F1134-L1197 HydrophobicContact CD2-CD2 3.76Å
1135	L	74.6	Confident	79.9	Confident	11 Å²	11	48.6 Å²	48.6	6%	0.058	24%	0.238	C	C	.	.			trans	-132.3	101.4	176.8	-72.3	117.6	0	0	0	111.9	P495 R520 S1137 V1138 M1139	P495-L1135 HydrophobicContact CB-CB 4.42Å; P495-L1135 HydrophobicContact CB-CD2 4.22Å; P495-L1135 HydrophobicContact CG-CD2 4.16Å; R520-L1135 HydrophobicContact CB-CD2 4.46Å; R520-L1135 HydrophobicContact CG-CD1 3.57Å; R520-L1135 HydrophobicContact CG-CD2 3.54Å; R520-L1135 HydrophobicContact CG-CG 4.2Å; L1135-S1137 PolarHBondContact O-N 3.43Å; L1135-V1138 HydrophobicContact CB-CG2 4.15Å; L1135-V1138 PolarHBondContact O-N 3Å; L1135-M1139 HydrophobicContact CB-SD 4.17Å; L1135-M1139 HydrophobicContact CD1-SD 4.47Å; L1135-M1139 PolarHBondContact N-SD 3.24Å; L1135-M1139 WeakPolarHBondContact O-CB 3.43Å; L1135-M1139 PolarHBondContact O-N 3.4Å
1136	P	77.3	Confident	79.1	Confident	16 Å²	16	49 Å²	49	10%	0.104	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	2.1	-173.4	19.6	-28.9	0	0	0	116.6	P495 P1123 F1134 K1200	P495-P1136 HydrophobicContact CB-CG 4.28Å; P1123-P1136 HydrophobicContact CB-CB 4Å; P1123-P1136 HydrophobicContact CB-CG 4.15Å; P1123-P1136 HydrophobicContact CG-CB 4.29Å; F1134-P1136 HydrophobicContact CD1-CG 4.39Å; F1134-P1136 HydrophobicContact CE1-CB 3.75Å; F1134-P1136 VanDerWaalsContact CE1-CD 3.46Å; F1134-P1136 HydrophobicContact CE1-CG 3.68Å; F1134-P1136 HydrophobicContact CZ-CB 3.62Å; F1134-P1136 HydrophobicContact CZ-CG 4.1Å; P1136-K1200 VanDerWaalsContact O-CE 3.3Å; P1136-K1200 WeakPolarHBondContact O-CE 3.05Å; P1136-K1200 PolarHBondContact O-NZ 3.36Å
1137	S	69.3	Low	78.4	Confident	21 Å²	21	54.8 Å²	54.8	15%	0.147	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-43.3	164.3	26.8	0	0	0	0	111.7	P495 L1135	P495-S1137 WeakPolarHBondContact O-CA 3.49Å; P495-S1137 WeakPolarHBondContact O-CB 3.29Å; P495-S1137 PolarHBondContact O-N 3.46Å; P495-S1137 PolarHBondContact O-OG 3Å; L1135-S1137 PolarHBondContact O-N 3.43Å
1138	V	75.6	Confident	78.2	Confident	5 Å²	5	49 Å²	49	3%	0.03	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-2.5	-167.7	-64.5	0	0	0	0	113.2	M517 F1057 Y1058 L1135 K1200	M517-V1138 HydrophobicContact CE-CG1 3.48Å; M517-V1138 VanDerWaalsContact CE-CG1 3.48Å; F1057-V1138 HydrophobicContact CD2-CB 4.35Å; F1057-V1138 HydrophobicContact CE2-CB 4.28Å; Y1058-V1138 HydrophobicContact CE2-CG2 3.85Å; Y1058-V1138 WeakPolarHBondContact OH-CG2 3.11Å; L1135-V1138 HydrophobicContact CB-CG2 4.15Å; L1135-V1138 PolarHBondContact O-N 3Å; V1138-K1200 PolarHBondContact O-N 2.9Å
1139	M	85.6	Confident	78.2	Confident	2 Å²	2	43 Å²	43	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.2	178.8	-68.6	155.7	175.2	0	0	112.7	I1067 F1134 L1135 L1197 F1198 K1200	I1067-M1139 HydrophobicContact CD1-CE 3.52Å; I1067-M1139 HydrophobicContact CG2-CE 3.9Å; F1134-M1139 HydrophobicContact CD2-CB 3.76Å; F1134-M1139 HydrophobicContact CD2-SD 4.43Å; F1134-M1139 HydrophobicContact CE2-CB 3.76Å; F1134-M1139 WeakPolarHBondContact CE2-O 3.16Å; L1135-M1139 HydrophobicContact CB-SD 4.17Å; L1135-M1139 HydrophobicContact CD1-SD 4.47Å; L1135-M1139 PolarHBondContact N-SD 3.24Å; L1135-M1139 WeakPolarHBondContact O-CB 3.43Å; L1135-M1139 PolarHBondContact O-N 3.4Å; M1139-L1197 HydrophobicContact CB-CD2 4.17Å; M1139-L1197 HydrophobicContact CE-CD1 4.06Å; M1139-L1197 HydrophobicContact CG-CD2 4.24Å; M1139-L1197 HydrophobicContact SD-CD1 4.06Å; M1139-L1197 HydrophobicContact SD-CD2 4.11Å; M1139-F1198 CarbonylContact C-O 3.54Å; M1139-F1198 WeakPolarHBondContact CA-O 3.13Å; M1139-K1200 WeakPolarHBondContact O-CE 3.23Å
1140	Y	90.6	Very high	78.1	Confident	24 Å²	24	40.5 Å²	40.5	9%	0.094	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	164	144.5	-55.3	-74.1	0	0	0	108.7	G1095 A1096 L1157 F1168 F1198 K1200	G1095-Y1140 VanDerWaalsContact CA-OH 3.29Å; G1095-Y1140 WeakPolarHBondContact CA-OH 3.47Å; A1096-Y1140 HydrophobicContact CB-CD1 4.21Å; A1096-Y1140 HydrophobicContact CB-CE1 3.73Å; A1096-Y1140 HydrophobicContact CB-CE2 4.1Å; A1096-Y1140 PolarHBondContact N-OH 2.93Å; Y1140-L1157 HydrophobicContact CD2-CD2 4.07Å; Y1140-F1168 HydrophobicContact CE2-CB 3.89Å; Y1140-F1168 WeakPolarHBondContact CE2-O 3.43Å; Y1140-F1198 PolarHBondContact N-O 2.84Å; Y1140-F1198 PolarHBondContact O-N 2.99Å; Y1140-K1200 HydrophobicContact CD2-CD 4.34Å; Y1140-K1200 HydrophobicContact CD2-CG 3.74Å; Y1140-K1200 HydrophobicContact CE1-CD 4.1Å; Y1140-K1200 VanDerWaalsContact CE1-CE 3.49Å; Y1140-K1200 HydrophobicContact CE2-CB 4.24Å; Y1140-K1200 HydrophobicContact CE2-CD 3.81Å; Y1140-K1200 HydrophobicContact CE2-CG 3.49Å; Y1140-K1200 VanDerWaalsContact CE2-CG 3.49Å; Y1140-K1200 HydrophobicContact CG-CG 4.34Å
1141	C	90.4	Very high	78.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.8	159.6	95.2	0	0	0	0	109.8	L1121 C1126 L1130 F1134 V1195 A1196 L1197	L1121-C1141 PolarHBondContact N-O 3.03Å; C1126-C1141 WeakPolarHBondContact CA-SG 3.5Å; C1126-C1141 HydrophobicContact CB-CB 3.96Å; C1126-C1141 WeakPolarHBondContact CB-SG 3.08Å; C1126-C1141 WeakPolarHBondContact SG-CB 3.29Å; C1126-C1141 CovalentContact SG-SG 2.03Å; C1126-C1141 PolarHBondContact SG-SG 2.91Å; L1130-C1141 HydrophobicContact CD1-CB 4.08Å; F1134-C1141 HydrophobicContact CD2-CB 4.31Å; F1134-C1141 HydrophobicContact CE2-CB 4.29Å; C1141-V1195 HydrophobicContact CB-CG1 4.15Å; C1141-A1196 CarbonylContact C-O 3.51Å; C1141-A1196 WeakPolarHBondContact CA-O 3.42Å; C1141-A1196 VanDerWaalsContact CB-O 3.25Å; C1141-A1196 WeakPolarHBondContact CB-O 3.39Å; C1141-L1197 HydrophobicContact CB-CD2 3.87Å
1142	G	90.3	Very high	78.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	166.9	177.6	0	0	0	0	0	111.7	Q1119 A1196	Q1119-G1142 CarbonylContact O-C 3.58Å; Q1119-G1142 WeakPolarHBondContact O-CA 3.48Å; G1142-A1196 PolarHBondContact N-O 2.88Å; G1142-A1196 VanDerWaalsContact N-O 3.08Å; G1142-A1196 PolarHBondContact O-N 3.47Å
1143	V	87.7	Confident	79.9	Confident	30 Å²	30	35.7 Å²	35.7	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.6	172.4	-69.4	0	0	0	0	110	Y1118 Q1119 L1121 D1193 V1195	Y1118-V1143 CarbonylContact C-O 3.59Å; Y1118-V1143 WeakPolarHBondContact CA-O 3.48Å; Y1118-V1143 VanDerWaalsContact CD1-C 3.48Å; Y1118-V1143 VanDerWaalsContact CD1-O 3.28Å; Y1118-V1143 WeakPolarHBondContact CD1-O 3.32Å; Q1119-V1143 HydrophobicContact CB-CG2 4.1Å; Q1119-V1143 PolarHBondContact N-O 2.01Å; Q1119-V1143 PolarHBondContact O-N 2.8Å; L1121-V1143 HydrophobicContact CD1-CG1 4.17Å; V1143-D1193 HydrophobicContact CB-CB 4.1Å; V1143-D1193 HydrophobicContact CG1-CB 4.15Å; V1143-V1195 HydrophobicContact CG1-CG2 3.98Å
1144	G	81.7	Confident	81	Confident	7 Å²	7	32.3 Å²	32.3	7%	0.072	16%	0.164	C	C	.	.			trans	173.9	160.4	-176.9	0	0	0	0	0	110.8	K1146	G1144-K1146 PolarHBondContact O-N 3.37Å
1145	Q	74.4	Confident	81.6	Confident	95 Å²	95	31.6 Å²	31.6	44%	0.444	16%	0.161	S	C	.	.			trans	-56.6	129.2	-170.9	-65.5	166.6	-39.3	0	0	112.5	D894 V1116 V1148	D894-Q1145 PolarHBondContact O-NE2 2.98Å; V1116-Q1145 HydrophobicContact CG1-CB 3.97Å; Q1145-V1148 HydrophobicContact CB-CG2 3.76Å
1146	K	68.4	Low	82.4	Confident	81 Å²	81	31.1 Å²	31.1	35%	0.352	16%	0.158	S	C	.	.	S	Bend	trans	-78.1	160.7	176.4	-155.5	179.4	-176.3	161.8	0	111.1	G1144 V1148 D1194	G1144-K1146 PolarHBondContact O-N 3.37Å; K1146-V1148 PolarHBondContact O-N 2.82Å; K1146-D1194 HydrophobicContact CD-CB 4.04Å; K1146-D1194 VanDerWaalsContact CE-CG 3.44Å; K1146-D1194 WeakPolarHBondContact CE-OD1 3.49Å; K1146-D1194 WeakPolarHBondContact CE-OD2 3.46Å; K1146-D1194 HydrophobicContact CG-CB 4.3Å; K1146-D1194 IonicContact NZ-OD1 2.65Å; K1146-D1194 PolarHBondContact NZ-OD1 2.91Å; K1146-D1194 IonicContact NZ-OD2 2.63Å; K1146-D1194 PolarHBondContact NZ-OD2 2.8Å
1147	N	69.5	Low	83.1	Confident	122 Å²	122	30.3 Å²	30.3	65%	0.652	15%	0.153	S	C	*	.	S	Bend	trans	62.6	-12.2	172.4	-56.9	-20.3	0	0	0	117.8	L1149	N1147-L1149 VanDerWaalsContact C-N 3.26Å; N1147-L1149 PolarHBondContact O-N 2.83Å
1148	V	77	Confident	84.1	Confident	20 Å²	20	29.3 Å²	29.3	12%	0.121	15%	0.146	C	C	.	.	S	Bend	trans	-59.8	-35.3	178	-176.9	0	0	0	0	112.3	H895 C1108 V1114 V1116 Q1145 K1146	H895-V1148 HydrophobicContact CB-CG1 3.73Å; C1108-V1148 VanDerWaalsContact CA-O 3.24Å; C1108-V1148 WeakPolarHBondContact CA-O 3.36Å; C1108-V1148 VanDerWaalsContact CB-O 3.31Å; C1108-V1148 WeakPolarHBondContact CB-O 3.31Å; V1114-V1148 HydrophobicContact CG2-CG1 4.24Å; V1116-V1148 HydrophobicContact CG2-CB 3.72Å; V1116-V1148 HydrophobicContact CG2-CG1 3.7Å; Q1145-V1148 HydrophobicContact CB-CG2 3.76Å; K1146-V1148 PolarHBondContact O-N 2.82Å
1149	L	80.1	Confident	84.8	Confident	16 Å²	16	29.1 Å²	29.1	8%	0.084	14%	0.144	C	C	.	.	S	Bend	trans	-99.1	131.6	175.4	-75.6	-179.2	0	0	0	113	I1104 G1106 V1107 V1114 V1116 N1147 P1152	I1104-L1149 HydrophobicContact CB-CD1 4.43Å; I1104-L1149 HydrophobicContact CD1-CD1 3.6Å; I1104-L1149 HydrophobicContact CG1-CD1 3.71Å; G1106-L1149 VanDerWaalsContact C-CD2 3.47Å; V1107-L1149 WeakPolarHBondContact O-CA 2.98Å; V1107-L1149 WeakPolarHBondContact O-CD2 3.49Å; V1114-L1149 HydrophobicContact CG2-CD2 3.49Å; V1114-L1149 VanDerWaalsContact CG2-CD2 3.49Å; V1114-L1149 HydrophobicContact CG2-CG 4.48Å; V1116-L1149 HydrophobicContact CG2-CD1 4.2Å; V1116-L1149 HydrophobicContact CG2-CG 3.83Å; N1147-L1149 VanDerWaalsContact C-N 3.26Å; N1147-L1149 PolarHBondContact O-N 2.83Å; L1149-P1152 HydrophobicContact CB-CB 3.99Å; L1149-P1152 HydrophobicContact CD1-CB 4.27Å
1150	Q	75.8	Confident	84.9	Confident	54 Å²	54	31.6 Å²	31.6	25%	0.252	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-81.4	128	163.2	-140.6	-174.7	-6.6	0	0	108.6	V1107	V1107-Q1150 HydrophobicContact CG2-CB 4.46Å; V1107-Q1150 PolarHBondContact O-N 2.88Å
1151	Y	85	Confident	84.4	Confident	78 Å²	78	31.8 Å²	31.8	31%	0.306	16%	0.161	S	C	.	.	S	Bend	trans	57.8	53.5	179.9	-40.5	-76	0	0	0	115.7	P992 T995 I1153	P992-Y1151 HydrophobicContact CB-CD2 4.21Å; P992-Y1151 HydrophobicContact CB-CE1 4.29Å; P992-Y1151 HydrophobicContact CB-CE2 3.82Å; P992-Y1151 HydrophobicContact CG-CE1 4.07Å; P992-Y1151 HydrophobicContact CG-CE2 3.8Å; P992-Y1151 VanDerWaalsContact CG-CZ 3.49Å; P992-Y1151 WeakPolarHBondContact CG-OH 3.28Å; P992-Y1151 WeakPolarHBondContact O-CD1 2.97Å; P992-Y1151 VanDerWaalsContact O-CE1 3.27Å; P992-Y1151 WeakPolarHBondContact O-CE1 3.43Å; T995-Y1151 PolarHBondContact N-O 3.09Å; T995-Y1151 PolarHBondContact OG1-O 2.63Å; Y1151-I1153 VanDerWaalsContact C-N 3.26Å; Y1151-I1153 PolarHBondContact O-N 2.82Å
1152	P	88.3	Confident	83.7	Confident	32 Å²	32	37.4 Å²	37.4	21%	0.208	20%	0.2	C	C	.	.			trans	-71.3	-12	-175.8	30.5	-36.9	0	0	0	114.8	L1149 G1154 S1155 Y1171	L1149-P1152 HydrophobicContact CB-CB 3.99Å; L1149-P1152 HydrophobicContact CD1-CB 4.27Å; P1152-G1154 PolarHBondContact O-N 3.35Å; P1152-S1155 VanDerWaalsContact O-CB 3.26Å; P1152-S1155 WeakPolarHBondContact O-CB 3.38Å; P1152-S1155 PolarHBondContact O-N 2.86Å; P1152-S1155 PolarHBondContact O-OG 2.77Å; P1152-Y1171 HydrophobicContact CB-CD1 4.28Å; P1152-Y1171 HydrophobicContact CB-CE1 4.19Å; P1152-Y1171 HydrophobicContact CG-CE1 4.14Å; P1152-Y1171 WeakPolarHBondContact O-CB 3.4Å; P1152-Y1171 WeakPolarHBondContact O-CD1 3.25Å
1153	I	90.5	Very high	82.8	Confident	50 Å²	50	39.2 Å²	39.2	26%	0.256	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.9	174.6	-58.2	179.8	0	0	0	108.2	C994 T995 R1015 C1016 Y1151 S1155	C994-I1153 HydrophobicContact CB-CB 4.28Å; C994-I1153 VanDerWaalsContact CB-O 3.32Å; C994-I1153 WeakPolarHBondContact CB-O 3.36Å; T995-I1153 PolarHBondContact N-O 2.68Å; R1015-I1153 HydrophobicContact CB-CG2 4.5Å; C1016-I1153 HydrophobicContact CB-CG2 4.13Å; Y1151-I1153 VanDerWaalsContact C-N 3.26Å; Y1151-I1153 PolarHBondContact O-N 2.82Å; I1153-S1155 VanDerWaalsContact C-N 3.3Å; I1153-S1155 PolarHBondContact O-N 3.3Å
1154	G	90.4	Very high	82.2	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-5.4	-177.5	0	0	0	0	0	115.6	T995 T1012 P1152 I1170 Y1171	T995-G1154 CarbonylContact O-C 3.41Å; T995-G1154 VanDerWaalsContact O-CA 3.27Å; T995-G1154 WeakPolarHBondContact O-CA 3.47Å; T1012-G1154 WeakPolarHBondContact OG1-CA 3.26Å; P1152-G1154 PolarHBondContact O-N 3.35Å; G1154-I1170 VanDerWaalsContact CA-CG2 3.49Å; G1154-Y1171 PolarHBondContact N-O 2.78Å
1155	S	90.6	Very high	82.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.			trans	-60.3	143.3	173.6	-77.3	0	0	0	0	112.2	S1105 P1152 I1153 Y1171	S1105-S1155 VanDerWaalsContact O-CB 3.3Å; S1105-S1155 WeakPolarHBondContact O-CB 3.26Å; S1105-S1155 PolarHBondContact O-OG 3.25Å; P1152-S1155 VanDerWaalsContact O-CB 3.26Å; P1152-S1155 WeakPolarHBondContact O-CB 3.38Å; P1152-S1155 PolarHBondContact O-N 2.86Å; P1152-S1155 PolarHBondContact O-OG 2.77Å; I1153-S1155 VanDerWaalsContact C-N 3.3Å; I1153-S1155 PolarHBondContact O-N 3.3Å; S1155-Y1171 PolarHBondContact O-N 2.87Å
1156	P	91.4	Very high	82.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.1	178.7	28.3	-32.8	0	0	0	111.2	T997 I1104 V1158 Q1167	T997-P1156 WeakPolarHBondContact OG1-CB 3.41Å; T997-P1156 WeakPolarHBondContact OG1-CD 3.26Å; T997-P1156 WeakPolarHBondContact OG1-CG 3.36Å; I1104-P1156 WeakPolarHBondContact CA-O 3.44Å; P1156-V1158 HydrophobicContact CB-CG2 3.88Å; P1156-V1158 HydrophobicContact CG-CG2 4.22Å; P1156-Q1167 HydrophobicContact CB-CG 3.88Å
1157	L	92.3	Very high	83.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	105.8	163	174.9	70.6	0	0	0	108.4	C1102 I1104 L1120 Y1140 Q1167 F1168 G1169 F1198	C1102-L1157 HydrophobicContact CB-CD1 3.99Å; I1104-L1157 HydrophobicContact CG2-CD1 4.37Å; L1120-L1157 HydrophobicContact CD1-CD2 4.36Å; L1120-L1157 HydrophobicContact CD2-CD1 4.24Å; L1120-L1157 HydrophobicContact CD2-CD2 3.99Å; Y1140-L1157 HydrophobicContact CD2-CD2 4.07Å; L1157-Q1167 CarbonylContact O-C 3.57Å; L1157-Q1167 WeakPolarHBondContact O-CA 3.27Å; L1157-F1168 PolarHBondContact O-N 3.3Å; L1157-G1169 PolarHBondContact N-O 3.47Å; L1157-G1169 PolarHBondContact O-N 3.12Å; L1157-F1198 HydrophobicContact CB-CD1 3.69Å; L1157-F1198 HydrophobicContact CB-CE1 4.08Å; L1157-F1198 HydrophobicContact CB-CG 4.29Å; L1157-F1198 HydrophobicContact CD1-CD1 4.17Å; L1157-F1198 HydrophobicContact CD1-CE1 3.92Å; L1157-F1198 HydrophobicContact CD1-CE2 4.47Å; L1157-F1198 HydrophobicContact CD1-CZ 4.09Å; L1157-F1198 HydrophobicContact CD2-CB 3.9Å; L1157-F1198 HydrophobicContact CD2-CD1 3.96Å; L1157-F1198 HydrophobicContact CD2-CD2 4.1Å; L1157-F1198 HydrophobicContact CD2-CG 3.72Å; L1157-F1198 HydrophobicContact CG-CD1 4.14Å; L1157-F1198 HydrophobicContact CG-CE1 4.38Å; L1157-F1198 HydrophobicContact CG-CG 4.4Å
1158	V	90.8	Very high	84.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.9	-177.6	-168.6	0	0	0	0	109.2	L974 F1087 C1102 Y1103 P1156 W1165 V1166	L974-V1158 HydrophobicContact CD1-CG1 4.24Å; F1087-V1158 HydrophobicContact CB-CG2 4.5Å; F1087-V1158 HydrophobicContact CD1-CG1 3.56Å; F1087-V1158 HydrophobicContact CD1-CG2 4.12Å; F1087-V1158 HydrophobicContact CD2-CG2 3.67Å; F1087-V1158 HydrophobicContact CE1-CG1 3.74Å; F1087-V1158 HydrophobicContact CE1-CG2 4.26Å; F1087-V1158 HydrophobicContact CE2-CG2 3.82Å; F1087-V1158 HydrophobicContact CG-CG1 4.04Å; F1087-V1158 HydrophobicContact CG-CG2 3.83Å; F1087-V1158 HydrophobicContact CZ-CG1 4.34Å; F1087-V1158 HydrophobicContact CZ-CG2 4.11Å; C1102-V1158 CarbonylContact C-O 3.49Å; C1102-V1158 VanDerWaalsContact CA-O 3.29Å; C1102-V1158 WeakPolarHBondContact CA-O 3.26Å; Y1103-V1158 PolarHBondContact N-O 2.96Å; Y1103-V1158 PolarHBondContact O-N 2.9Å; P1156-V1158 HydrophobicContact CB-CG2 3.88Å; P1156-V1158 HydrophobicContact CG-CG2 4.22Å; V1158-W1165 HydrophobicContact CG1-CB 3.8Å; V1158-W1165 HydrophobicContact CG1-CE3 4.18Å; V1158-V1166 WeakPolarHBondContact CA-O 3.47Å
1159	C	90.8	Very high	85.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.5	179	-55.6	0	0	0	0	112.2	M1100 Q1101 C1102 S1161 V1166 F1168	M1100-C1159 HydrophobicContact CB-CB 4.11Å; M1100-C1159 HydrophobicContact SD-CB 4.37Å; Q1101-C1159 CarbonylContact O-C 3.59Å; Q1101-C1159 VanDerWaalsContact O-CA 3.3Å; Q1101-C1159 WeakPolarHBondContact O-CA 3.4Å; C1102-C1159 HydrophobicContact CB-CB 4.04Å; C1102-C1159 WeakPolarHBondContact CB-SG 3.24Å; C1102-C1159 WeakPolarHBondContact SG-CB 3.31Å; C1102-C1159 CovalentContact SG-SG 2.04Å; C1102-C1159 PolarHBondContact SG-SG 3.38Å; C1159-S1161 PolarHBondContact O-N 2.88Å; C1159-V1166 PolarHBondContact N-O 3.07Å; C1159-V1166 PolarHBondContact O-N 3.41Å; C1159-F1168 HydrophobicContact CB-CD2 3.65Å; C1159-F1168 HydrophobicContact CB-CE2 3.84Å
1160	Q	87.2	Confident	86.1	Confident	55 Å²	55	27.7 Å²	27.7	26%	0.257	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.5	174.1	-150.1	-166	44.1	0	0	109.8	M1100 Q1101 N1164 W1165	M1100-Q1160 WeakPolarHBondContact CG-O 3.35Å; Q1101-Q1160 PolarHBondContact O-N 2.87Å; Q1160-N1164 CarbonylContact C-O 3.35Å; Q1160-N1164 WeakPolarHBondContact CA-O 3.47Å; Q1160-W1165 HydrophobicContact CB-CD2 4.42Å; Q1160-W1165 HydrophobicContact CB-CE3 3.97Å; Q1160-W1165 HydrophobicContact CB-CH2 3.79Å; Q1160-W1165 HydrophobicContact CB-CZ2 4.25Å; Q1160-W1165 HydrophobicContact CB-CZ3 3.64Å; Q1160-W1165 HydrophobicContact CG-CD2 4.35Å; Q1160-W1165 HydrophobicContact CG-CE3 4.39Å; Q1160-W1165 HydrophobicContact CG-CH2 4.11Å; Q1160-W1165 HydrophobicContact CG-CZ2 4.06Å; Q1160-W1165 HydrophobicContact CG-CZ3 4.29Å
1161	S	80.9	Confident	86.8	Confident	28 Å²	28	25.8 Å²	25.8	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	117.4	177.9	-177.2	0	0	0	0	110.5	C1159 G1163 N1164	C1159-S1161 PolarHBondContact O-N 2.88Å; S1161-G1163 VanDerWaalsContact C-N 3.3Å; S1161-G1163 PolarHBondContact O-N 3.09Å; S1161-N1164 PolarHBondContact N-O 3.21Å; S1161-N1164 PolarHBondContact O-N 3.42Å
1162	S	74.1	Confident	87.1	Confident	118 Å²	118	22.1 Å²	22.1	83%	0.825	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	44.2	178.4	-52	0	0	0	0	113.9	N1164	S1162-N1164 PolarHBondContact O-ND2 3.01Å
1163	G	72	Confident	87	Confident	37 Å²	37	22 Å²	22	38%	0.381	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	27.8	-178.1	0	0	0	0	0	114.5	K212 S1161	K212-G1163 PolarHBondContact NZ-O 3.02Å; S1161-G1163 VanDerWaalsContact C-N 3.3Å; S1161-G1163 PolarHBondContact O-N 3.09Å
1164	N	74.8	Confident	86.7	Confident	69 Å²	69	21.1 Å²	21.1	37%	0.369	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.9	172.1	-54	-87.6	0	0	0	109.7	K212 Q1160 S1161 S1162 V1166	K212-N1164 PolarHBondContact NZ-OD1 2.83Å; Q1160-N1164 CarbonylContact C-O 3.35Å; Q1160-N1164 WeakPolarHBondContact CA-O 3.47Å; S1161-N1164 PolarHBondContact N-O 3.21Å; S1161-N1164 PolarHBondContact O-N 3.42Å; S1162-N1164 PolarHBondContact O-ND2 3.01Å; N1164-V1166 HydrophobicContact CB-CG2 4.24Å
1165	W	83.1	Confident	85.9	Confident	34 Å²	34	23.4 Å²	23.4	13%	0.129	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.8	168.8	-67.6	107.7	0	0	0	109.3	D972 L974 F1087 P1088 Y1103 V1158 Q1160	D972-W1165 PolarHBondContact O-NE1 2.96Å; L974-W1165 HydrophobicContact CB-CD2 4.38Å; L974-W1165 HydrophobicContact CB-CZ2 4.02Å; L974-W1165 HydrophobicContact CD1-CB 4.02Å; L974-W1165 HydrophobicContact CD1-CD2 3.41Å; L974-W1165 VanDerWaalsContact CD1-CD2 3.41Å; L974-W1165 HydrophobicContact CD1-CE3 3.73Å; L974-W1165 HydrophobicContact CD1-CG 3.53Å; L974-W1165 HydrophobicContact CD1-CZ2 4.46Å; L974-W1165 HydrophobicContact CD1-CZ3 4.37Å; L974-W1165 HydrophobicContact CG-CD2 4.44Å; F1087-W1165 HydrophobicContact CD1-CB 4.31Å; F1087-W1165 HydrophobicContact CE1-CB 4.26Å; P1088-W1165 WeakPolarHBondContact CD-O 3.48Å; P1088-W1165 WeakPolarHBondContact CG-O 3.33Å; Y1103-W1165 AromaticContact CD2-CH2 3.9Å; Y1103-W1165 HydrophobicContact CD2-CH2 3.9Å; Y1103-W1165 AromaticContact CD2-CZ3 3.83Å; Y1103-W1165 HydrophobicContact CD2-CZ3 3.83Å; Y1103-W1165 AromaticContact CE2-CH2 3.75Å; Y1103-W1165 HydrophobicContact CE2-CH2 3.75Å; Y1103-W1165 HydrophobicContact CE2-CZ3 4.12Å; V1158-W1165 HydrophobicContact CG1-CB 3.8Å; V1158-W1165 HydrophobicContact CG1-CE3 4.18Å; Q1160-W1165 HydrophobicContact CB-CD2 4.42Å; Q1160-W1165 HydrophobicContact CB-CE3 3.97Å; Q1160-W1165 HydrophobicContact CB-CH2 3.79Å; Q1160-W1165 HydrophobicContact CB-CZ2 4.25Å; Q1160-W1165 HydrophobicContact CB-CZ3 3.64Å; Q1160-W1165 HydrophobicContact CG-CD2 4.35Å; Q1160-W1165 HydrophobicContact CG-CE3 4.39Å; Q1160-W1165 HydrophobicContact CG-CH2 4.11Å; Q1160-W1165 HydrophobicContact CG-CZ2 4.06Å; Q1160-W1165 HydrophobicContact CG-CZ3 4.29Å
1166	V	86.5	Confident	84.7	Confident	19 Å²	19	28.1 Å²	28.1	12%	0.115	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132	-170	177.9	0	0	0	0	109.6	P1088 P1090 V1158 C1159 N1164 F1168	P1088-V1166 HydrophobicContact CG-CG2 4.4Å; P1088-V1166 WeakPolarHBondContact O-CG1 3.22Å; P1090-V1166 HydrophobicContact CB-CG1 4.14Å; V1158-V1166 WeakPolarHBondContact CA-O 3.47Å; C1159-V1166 PolarHBondContact N-O 3.07Å; C1159-V1166 PolarHBondContact O-N 3.41Å; N1164-V1166 HydrophobicContact CB-CG2 4.24Å; V1166-F1168 HydrophobicContact CB-CD2 4.12Å; V1166-F1168 HydrophobicContact CB-CE2 3.71Å; V1166-F1168 HydrophobicContact CB-CZ 4.3Å; V1166-F1168 HydrophobicContact CG1-CD2 4.07Å; V1166-F1168 HydrophobicContact CG1-CE2 3.81Å; V1166-F1168 HydrophobicContact CG1-CZ 4.06Å; V1166-F1168 WeakPolarHBondContact O-CD2 3.48Å; V1166-F1168 PolarHBondContact O-N 2.89Å
1167	Q	89.8	Confident	83.1	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	95	177.6	-175.8	-176.7	-2.8	0	0	110.7	F1087 P1088 L1089 P1090 P1156 L1157 G1169 L1201	F1087-Q1167 HydrophobicContact CB-CB 3.71Å; P1088-Q1167 PolarHBondContact O-N 2.82Å; L1089-Q1167 HydrophobicContact CD2-CB 4.45Å; P1090-Q1167 WeakPolarHBondContact CD-O 3.33Å; P1156-Q1167 HydrophobicContact CB-CG 3.88Å; L1157-Q1167 CarbonylContact O-C 3.57Å; L1157-Q1167 WeakPolarHBondContact O-CA 3.27Å; Q1167-G1169 VanDerWaalsContact C-N 3.33Å; Q1167-G1169 VanDerWaalsContact CG-O 3.27Å; Q1167-G1169 WeakPolarHBondContact CG-O 3.47Å; Q1167-G1169 PolarHBondContact NE2-O 3.3Å; Q1167-G1169 VanDerWaalsContact NE2-O 3.07Å; Q1167-L1201 HydrophobicContact CG-CD1 4.04Å
1168	F	90.2	Very high	81	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-16.6	177.3	-73.5	-87.6	0	0	0	113.4	P1090 G1095 A1096 M1100 Y1140 L1157 C1159 V1166 L1201	P1090-F1168 HydrophobicContact CB-CD1 3.75Å; P1090-F1168 HydrophobicContact CB-CE1 3.69Å; P1090-F1168 HydrophobicContact CG-CD1 3.85Å; P1090-F1168 HydrophobicContact CG-CE1 4.32Å; P1090-F1168 HydrophobicContact CG-CG 4.5Å; G1095-F1168 VanDerWaalsContact C-CE1 3.48Å; A1096-F1168 HydrophobicContact CB-CB 3.91Å; A1096-F1168 HydrophobicContact CB-CD1 3.9Å; A1096-F1168 HydrophobicContact CB-CD2 4.09Å; A1096-F1168 HydrophobicContact CB-CE1 4.39Å; A1096-F1168 HydrophobicContact CB-CG 3.71Å; M1100-F1168 HydrophobicContact CE-CZ 4.34Å; M1100-F1168 HydrophobicContact SD-CE2 4.16Å; M1100-F1168 HydrophobicContact SD-CZ 4.18Å; Y1140-F1168 HydrophobicContact CE2-CB 3.89Å; Y1140-F1168 WeakPolarHBondContact CE2-O 3.43Å; L1157-F1168 PolarHBondContact O-N 3.3Å; C1159-F1168 HydrophobicContact CB-CD2 3.65Å; C1159-F1168 HydrophobicContact CB-CE2 3.84Å; V1166-F1168 HydrophobicContact CB-CD2 4.12Å; V1166-F1168 HydrophobicContact CB-CE2 3.71Å; V1166-F1168 HydrophobicContact CB-CZ 4.3Å; V1166-F1168 HydrophobicContact CG1-CD2 4.07Å; V1166-F1168 HydrophobicContact CG1-CE2 3.81Å; V1166-F1168 HydrophobicContact CG1-CZ 4.06Å; V1166-F1168 WeakPolarHBondContact O-CD2 3.48Å; V1166-F1168 PolarHBondContact O-N 2.89Å; F1168-L1201 PolarHBondContact O-N 2.8Å
1169	G	90.7	Very high	78.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-172.9	-179.6	0	0	0	0	0	117.3	L1157 Q1167 V1199	L1157-G1169 PolarHBondContact N-O 3.47Å; L1157-G1169 PolarHBondContact O-N 3.12Å; Q1167-G1169 VanDerWaalsContact C-N 3.33Å; Q1167-G1169 VanDerWaalsContact CG-O 3.27Å; Q1167-G1169 WeakPolarHBondContact CG-O 3.47Å; Q1167-G1169 PolarHBondContact NE2-O 3.3Å; Q1167-G1169 VanDerWaalsContact NE2-O 3.07Å; G1169-V1199 CarbonylContact C-O 3.57Å; G1169-V1199 WeakPolarHBondContact CA-O 3.35Å
1170	I	91.9	Very high	75.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129	178.9	-50.6	175.7	0	0	0	108.1	V1011 M1069 G1154 D1172 F1198 V1199 L1201	V1011-I1170 HydrophobicContact CG1-CD1 3.53Å; V1011-I1170 HydrophobicContact CG1-CG1 4.49Å; M1069-I1170 HydrophobicContact CB-CD1 4.22Å; G1154-I1170 VanDerWaalsContact CA-CG2 3.49Å; I1170-D1172 PolarHBondContact O-N 2.89Å; I1170-F1198 CarbonylContact O-C 3.45Å; I1170-F1198 WeakPolarHBondContact O-CA 3.42Å; I1170-V1199 HydrophobicContact CB-CB 4.38Å; I1170-V1199 PolarHBondContact N-O 2.7Å; I1170-V1199 PolarHBondContact O-N 3.38Å; I1170-L1201 HydrophobicContact CD1-CD1 4.4Å; I1170-L1201 HydrophobicContact CD1-CD2 4.03Å; I1170-L1201 HydrophobicContact CG1-CD1 3.95Å; I1170-L1201 HydrophobicContact CG1-CD2 4.25Å; I1170-L1201 HydrophobicContact CG1-CG 4.21Å
1171	Y	92.4	Very high	73	Confident	14 Å²	14	61.3 Å²	61.3	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.9	173.9	-172.8	-72.9	0	0	0	110.6	I1104 P1152 G1154 S1155 S1174 A1196 F1198	I1104-Y1171 HydrophobicContact CD1-CD2 3.9Å; I1104-Y1171 HydrophobicContact CD1-CE2 4.19Å; P1152-Y1171 HydrophobicContact CB-CD1 4.28Å; P1152-Y1171 HydrophobicContact CB-CE1 4.19Å; P1152-Y1171 HydrophobicContact CG-CE1 4.14Å; P1152-Y1171 WeakPolarHBondContact O-CB 3.4Å; P1152-Y1171 WeakPolarHBondContact O-CD1 3.25Å; G1154-Y1171 PolarHBondContact N-O 2.78Å; S1155-Y1171 PolarHBondContact O-N 2.87Å; Y1171-S1174 WeakPolarHBondContact OH-CB 3.36Å; Y1171-A1196 HydrophobicContact CD2-CB 4.2Å; Y1171-A1196 HydrophobicContact CE2-CB 3.57Å; Y1171-F1198 HydrophobicContact CD2-CD1 4.34Å; Y1171-F1198 AromaticContact CD2-CE1 3.61Å; Y1171-F1198 HydrophobicContact CD2-CE1 3.61Å; Y1171-F1198 HydrophobicContact CD2-CZ 4.08Å; Y1171-F1198 HydrophobicContact CG-CE1 4.23Å
1172	D	89.5	Confident	70.8	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-54.7	-179.1	-167.1	77.1	0	0	0	112.9	S1013 R1015 I1170 L1197 V1199	S1013-D1172 PolarHBondContact OG-OD1 2.87Å; R1015-D1172 VanDerWaalsContact CD-O 3.31Å; R1015-D1172 WeakPolarHBondContact CD-O 3.47Å; R1015-D1172 IonicContact CZ-OD2 2.67Å; R1015-D1172 VanDerWaalsContact CZ-OD2 3.25Å; R1015-D1172 PolarHBondContact NE-O 2.83Å; R1015-D1172 IonicContact NE-OD1 2.66Å; R1015-D1172 IonicContact NE-OD2 3.75Å; R1015-D1172 PolarHBondContact NE-OD2 2.92Å; R1015-D1172 IonicContact NH2-OD2 3.2Å; R1015-D1172 PolarHBondContact NH2-OD2 2.92Å; I1170-D1172 PolarHBondContact O-N 2.89Å; D1172-L1197 PolarHBondContact N-O 3.19Å; D1172-V1199 HydrophobicContact CB-CG2 4.44Å
1173	H	86.8	Confident	68.8	Low	29 Å²	29	64 Å²	64	13%	0.134	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	166.7	175.3	60.2	-66.7	0	0	0	109.9	R1015 F1175 L1197	R1015-H1173 PolarHBondContact NH2-CE1 2.89Å; R1015-H1173 PolarHBondContact NH2-ND1 2.88Å; R1015-H1173 VanDerWaalsContact NH2-ND1 3.16Å; H1173-F1175 AromaticContact CD2-CE2 3.68Å; H1173-F1175 AromaticContact CD2-CZ 3.71Å; H1173-F1175 AromaticContact NE2-CE2 3.25Å; H1173-F1175 VanDerWaalsContact NE2-CE2 3.25Å; H1173-F1175 WeakPolarHBondContact NE2-CE2 3.35Å; H1173-F1175 AromaticContact NE2-CZ 3.14Å; H1173-F1175 WeakPolarHBondContact NE2-CZ 3.39Å; H1173-L1197 PolarHBondContact O-N 2.91Å
1174	S	84.5	Confident	67.1	Low	32 Å²	32	65.8 Å²	65.8	22%	0.224	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	168.2	167	60.2	0	0	0	0	112.2	Y1171 D1194 V1195	Y1171-S1174 WeakPolarHBondContact OH-CB 3.36Å; S1174-D1194 VanDerWaalsContact CB-OD2 3.23Å; S1174-D1194 WeakPolarHBondContact CB-OD2 3.45Å; S1174-D1194 PolarHBondContact OG-OD2 2.72Å; S1174-V1195 CarbonylContact C-O 3.6Å; S1174-V1195 WeakPolarHBondContact CA-O 3.46Å
1175	F	74.5	Confident	65	Low	47 Å²	47	72.1 Å²	72.1	21%	0.206	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.9	165.9	-65.5	-89.8	0	0	0	110.2	L1130 K1133 H1173 T1177 V1195 L1197	L1130-F1175 HydrophobicContact CD1-CD2 4.35Å; L1130-F1175 HydrophobicContact CD1-CE2 4.47Å; L1130-F1175 HydrophobicContact CD2-CB 4.03Å; L1130-F1175 HydrophobicContact CD2-CD2 3.42Å; L1130-F1175 VanDerWaalsContact CD2-CD2 3.42Å; L1130-F1175 HydrophobicContact CD2-CE2 4.07Å; L1130-F1175 HydrophobicContact CD2-CG 3.91Å; L1130-F1175 HydrophobicContact CG-CD2 4.48Å; K1133-F1175 HydrophobicContact CB-CZ 4.34Å; K1133-F1175 HydrophobicContact CD-CE1 3.85Å; K1133-F1175 HydrophobicContact CD-CZ 3.82Å; H1173-F1175 AromaticContact CD2-CE2 3.68Å; H1173-F1175 AromaticContact CD2-CZ 3.71Å; H1173-F1175 AromaticContact NE2-CE2 3.25Å; H1173-F1175 VanDerWaalsContact NE2-CE2 3.25Å; H1173-F1175 WeakPolarHBondContact NE2-CE2 3.35Å; H1173-F1175 AromaticContact NE2-CZ 3.14Å; H1173-F1175 WeakPolarHBondContact NE2-CZ 3.39Å; F1175-T1177 PolarHBondContact O-N 3.08Å; F1175-V1195 PolarHBondContact N-O 2.9Å; F1175-V1195 PolarHBondContact O-N 3.02Å; F1175-L1197 HydrophobicContact CE2-CD1 3.77Å; F1175-L1197 HydrophobicContact CE2-CG 4.21Å
1176	P	65.5	Low	62.6	Low	100 Å²	100	74.7 Å²	74.7	65%	0.649	42%	0.419	S	S	*	.			trans	-67.1	130.3	171.1	28.8	-33.9	0	0	0	110.5	R1178 D1194	P1176-R1178 PolarHBondContact O-N 3.35Å; P1176-D1194 WeakPolarHBondContact CA-OD1 3.46Å
1177	T	56.7	Low	59.9	Low	53 Å²	53	83.1 Å²	83.1	33%	0.325	46%	0.457	S	S	.	.			trans	-68.9	120.9	171.8	48	0	0	0	0	110.5	F1175 R1179 D1193 V1195	F1175-T1177 PolarHBondContact O-N 3.08Å; T1177-R1179 PolarHBondContact O-N 2.93Å; T1177-D1193 WeakPolarHBondContact CG2-O 3.34Å; T1177-V1195 HydrophobicContact CG2-CG2 4.03Å
1178	R	47.8	Very low	57	Low	231 Å²	231	90.5 Å²	90.5	87%	0.872	50%	0.496	S	S	*	.			trans	-66.3	97.7	167.4	-75.8	-172.9	172.3	-162.3	-4.7	109.5	P1176	P1176-R1178 PolarHBondContact O-N 3.35Å
1179	R	39.3	Very low	54	Low	128 Å²	128	96.2 Å²	96.2	48%	0.483	52%	0.523	S	S	.	.			trans	-60.8	133.3	160.2	-85.7	-171.6	172.7	-163.3	-6.3	108.4	T1177 E1189	T1177-R1179 PolarHBondContact O-N 2.93Å; R1179-E1189 IonicContact CZ-OE1 2.73Å; R1179-E1189 IonicContact CZ-OE2 3.2Å; R1179-E1189 VanDerWaalsContact NH1-CD 3.26Å; R1179-E1189 IonicContact NH1-OE1 2.97Å; R1179-E1189 PolarHBondContact NH1-OE1 2.65Å; R1179-E1189 IonicContact NH1-OE2 2.84Å; R1179-E1189 PolarHBondContact NH1-OE2 3.27Å; R1179-E1189 IonicContact NH2-OE1 3.87Å; R1179-E1189 PolarHBondContact NH2-OE1 2.97Å; R1179-E1189 IonicContact NH2-OE2 2.67Å
1180	S	33.5	Very low	51.3	Low	113 Å²	113	103.4 Å²	103.4	79%	0.79	56%	0.56	S	S	*	*			trans	-84.5	117.3	160.1	44.3	0	0	0	0	106.9	A1182	S1180-A1182 PolarHBondContact O-N 2.9Å
1181	Y	29.8	Very low	48.8	Very low	226 Å²	226	109.4 Å²	109.4	89%	0.886	59%	0.591	S	S	*	*			trans	-71.5	111.6	-177.5	-70.4	-84.5	0	0	0	110.3
1182	A	34	Very low	46.7	Very low	90 Å²	90	111.5 Å²	111.5	74%	0.744	61%	0.606	S	S	*	*			trans	-152.2	79.9	176.6	0	0	0	0	0	112.1	S1180	S1180-A1182 PolarHBondContact O-N 2.9Å
1183	A	32.7	Very low	45.1	Very low	113 Å²	113	115.7 Å²	115.7	93%	0.934	63%	0.628	S	S	*	*			trans	63	151.4	163.4	0	0	0	0	0	119.8
1184	G	35.1	Very low	44.3	Very low	75 Å²	75	114.7 Å²	114.7	77%	0.773	62%	0.624	S	S	*	*			trans	113.6	98.8	166.7	0	0	0	0	0	114.1
1185	E	30.2	Very low	44.4	Very low	202 Å²	202	113.3 Å²	113.3	94%	0.944	61%	0.614	S	S	*	*			trans	-82.2	133.2	172.5	-65.4	153.7	129.5	0	0	110.9
1186	S	32.9	Very low	45.1	Very low	88 Å²	88	111 Å²	111	62%	0.615	60%	0.604	S	S	*	*			trans	-152.4	119.5	154.1	62.5	0	0	0	0	110.6	N1188	S1186-N1188 VanDerWaalsContact C-N 3.26Å; S1186-N1188 PolarHBondContact O-N 3.29Å
1187	E	29.8	Very low	46.3	Very low	195 Å²	195	106.3 Å²	106.3	91%	0.911	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	73.5	-178.7	-64.9	-177.3	123.6	0	0	111.2
1188	N	30.1	Very low	47.9	Very low	161 Å²	161	103.8 Å²	103.8	86%	0.861	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.7	31.9	164.1	-93.1	-44.4	0	0	0	110.4	S1186	S1186-N1188 VanDerWaalsContact C-N 3.26Å; S1186-N1188 PolarHBondContact O-N 3.29Å
1189	E	27.6	Very low	49.9	Very low	121 Å²	121	92.9 Å²	92.9	57%	0.565	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-82	125.1	-164.2	-146.1	-168	178	0	0	114.1	R1179	R1179-E1189 IonicContact CZ-OE1 2.73Å; R1179-E1189 IonicContact CZ-OE2 3.2Å; R1179-E1189 VanDerWaalsContact NH1-CD 3.26Å; R1179-E1189 IonicContact NH1-OE1 2.97Å; R1179-E1189 PolarHBondContact NH1-OE1 2.65Å; R1179-E1189 IonicContact NH1-OE2 2.84Å; R1179-E1189 PolarHBondContact NH1-OE2 3.27Å; R1179-E1189 IonicContact NH2-OE1 3.87Å; R1179-E1189 PolarHBondContact NH2-OE1 2.97Å; R1179-E1189 IonicContact NH2-OE2 2.67Å
1190	I	32.1	Very low	52.1	Low	152 Å²	152	88.5 Å²	88.5	78%	0.779	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-65.2	133	-178.1	-60.3	170.1	0	0	0	110.9
1191	I	40.8	Very low	54.5	Low	126 Å²	126	83.2 Å²	83.2	65%	0.646	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-59.7	133.3	-176.2	-59.9	175.3	0	0	0	110.6
1192	P	47.4	Very low	56.3	Low	58 Å²	58	74.1 Å²	74.1	38%	0.377	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-65.9	143.6	-164.2	-24	34.7	0	0	0	116.5	D1194	P1192-D1194 PolarHBondContact O-N 2.92Å; P1192-D1194 VanDerWaalsContact O-N 3.12Å
1193	D	56.2	Low	57.3	Low	89 Å²	89	71.4 Å²	71.4	48%	0.476	41%	0.411	S	S	.	.			trans	-64.2	100.5	175.8	-76	-61	0	0	0	113.6	V1143 T1177	V1143-D1193 HydrophobicContact CB-CB 4.1Å; V1143-D1193 HydrophobicContact CG1-CB 4.15Å; T1177-D1193 WeakPolarHBondContact CG2-O 3.34Å
1194	D	71	Confident	58.4	Low	9 Å²	9	70.4 Å²	70.4	5%	0.048	39%	0.39	C	S	.	.			trans	-68.7	133.6	168.8	-112.5	48.2	0	0	0	110.9	K1146 S1174 P1176 P1192 A1196	K1146-D1194 HydrophobicContact CD-CB 4.04Å; K1146-D1194 VanDerWaalsContact CE-CG 3.44Å; K1146-D1194 WeakPolarHBondContact CE-OD1 3.49Å; K1146-D1194 WeakPolarHBondContact CE-OD2 3.46Å; K1146-D1194 HydrophobicContact CG-CB 4.3Å; K1146-D1194 IonicContact NZ-OD1 2.65Å; K1146-D1194 PolarHBondContact NZ-OD1 2.91Å; K1146-D1194 IonicContact NZ-OD2 2.63Å; K1146-D1194 PolarHBondContact NZ-OD2 2.8Å; S1174-D1194 VanDerWaalsContact CB-OD2 3.23Å; S1174-D1194 WeakPolarHBondContact CB-OD2 3.45Å; S1174-D1194 PolarHBondContact OG-OD2 2.72Å; P1176-D1194 WeakPolarHBondContact CA-OD1 3.46Å; P1192-D1194 PolarHBondContact O-N 2.92Å; P1192-D1194 VanDerWaalsContact O-N 3.12Å; D1194-A1196 PolarHBondContact O-N 2.75Å
1195	V	85.1	Confident	59.5	Low	2 Å²	2	67.7 Å²	67.7	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.5	176.7	-177.3	0	0	0	0	109.7	H1129 L1130 C1141 V1143 S1174 F1175 T1177	H1129-V1195 HydrophobicContact CB-CG1 4.49Å; H1129-V1195 HydrophobicContact CB-CG2 4.07Å; L1130-V1195 HydrophobicContact CD1-CG1 3.95Å; L1130-V1195 HydrophobicContact CD2-CB 4.2Å; L1130-V1195 HydrophobicContact CD2-CG1 4.04Å; L1130-V1195 HydrophobicContact CG-CG1 4.06Å; C1141-V1195 HydrophobicContact CB-CG1 4.15Å; V1143-V1195 HydrophobicContact CG1-CG2 3.98Å; S1174-V1195 CarbonylContact C-O 3.6Å; S1174-V1195 WeakPolarHBondContact CA-O 3.46Å; F1175-V1195 PolarHBondContact N-O 2.9Å; F1175-V1195 PolarHBondContact O-N 3.02Å; T1177-V1195 HydrophobicContact CG2-CG2 4.03Å
1196	A	89.4	Confident	60.9	Low	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.6	178.7	0	0	0	0	0	112.5	Y1118 C1141 G1142 Y1171 D1194 F1198	Y1118-A1196 HydrophobicContact CD1-CB 4.29Å; Y1118-A1196 HydrophobicContact CE1-CB 3.6Å; C1141-A1196 CarbonylContact C-O 3.51Å; C1141-A1196 WeakPolarHBondContact CA-O 3.42Å; C1141-A1196 VanDerWaalsContact CB-O 3.25Å; C1141-A1196 WeakPolarHBondContact CB-O 3.39Å; G1142-A1196 PolarHBondContact N-O 2.88Å; G1142-A1196 VanDerWaalsContact N-O 3.08Å; G1142-A1196 PolarHBondContact O-N 3.47Å; Y1171-A1196 HydrophobicContact CD2-CB 4.2Å; Y1171-A1196 HydrophobicContact CE2-CB 3.57Å; D1194-A1196 PolarHBondContact O-N 2.75Å; A1196-F1198 HydrophobicContact CB-CE2 3.79Å; A1196-F1198 HydrophobicContact CB-CZ 3.79Å
1197	L	90.3	Very high	61.9	Low	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.1	168.5	-82	-174.4	0	0	0	111.6	L1130 F1134 M1139 C1141 D1172 H1173 F1175	L1130-L1197 HydrophobicContact CD1-CD1 4.34Å; L1130-L1197 HydrophobicContact CD1-CD2 3.45Å; L1130-L1197 VanDerWaalsContact CD1-CD2 3.45Å; L1130-L1197 HydrophobicContact CD1-CG 3.76Å; F1134-L1197 HydrophobicContact CD2-CD2 3.76Å; M1139-L1197 HydrophobicContact CB-CD2 4.17Å; M1139-L1197 HydrophobicContact CE-CD1 4.06Å; M1139-L1197 HydrophobicContact CG-CD2 4.24Å; M1139-L1197 HydrophobicContact SD-CD1 4.06Å; M1139-L1197 HydrophobicContact SD-CD2 4.11Å; C1141-L1197 HydrophobicContact CB-CD2 3.87Å; D1172-L1197 PolarHBondContact N-O 3.19Å; H1173-L1197 PolarHBondContact O-N 2.91Å; F1175-L1197 HydrophobicContact CE2-CD1 3.77Å; F1175-L1197 HydrophobicContact CE2-CG 4.21Å
1198	F	91.7	Very high	62.9	Low	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.9	178.4	-56.3	-86.8	0	0	0	110.8	I1104 Y1118 L1120 M1139 Y1140 L1157 I1170 Y1171 A1196 K1200	I1104-F1198 HydrophobicContact CG2-CE1 3.68Å; I1104-F1198 HydrophobicContact CG2-CZ 4.32Å; Y1118-F1198 HydrophobicContact CD1-CE2 4.17Å; Y1118-F1198 AromaticContact CD1-CZ 3.72Å; Y1118-F1198 HydrophobicContact CD1-CZ 3.72Å; Y1118-F1198 HydrophobicContact CE1-CZ 4.14Å; Y1118-F1198 HydrophobicContact CG-CZ 4.01Å; L1120-F1198 HydrophobicContact CD2-CD2 4.3Å; L1120-F1198 HydrophobicContact CD2-CE2 4.24Å; M1139-F1198 CarbonylContact C-O 3.54Å; M1139-F1198 WeakPolarHBondContact CA-O 3.13Å; Y1140-F1198 PolarHBondContact N-O 2.84Å; Y1140-F1198 PolarHBondContact O-N 2.99Å; L1157-F1198 HydrophobicContact CB-CD1 3.69Å; L1157-F1198 HydrophobicContact CB-CE1 4.08Å; L1157-F1198 HydrophobicContact CB-CG 4.29Å; L1157-F1198 HydrophobicContact CD1-CD1 4.17Å; L1157-F1198 HydrophobicContact CD1-CE1 3.92Å; L1157-F1198 HydrophobicContact CD1-CE2 4.47Å; L1157-F1198 HydrophobicContact CD1-CZ 4.09Å; L1157-F1198 HydrophobicContact CD2-CB 3.9Å; L1157-F1198 HydrophobicContact CD2-CD1 3.96Å; L1157-F1198 HydrophobicContact CD2-CD2 4.1Å; L1157-F1198 HydrophobicContact CD2-CG 3.72Å; L1157-F1198 HydrophobicContact CG-CD1 4.14Å; L1157-F1198 HydrophobicContact CG-CE1 4.38Å; L1157-F1198 HydrophobicContact CG-CG 4.4Å; I1170-F1198 CarbonylContact O-C 3.45Å; I1170-F1198 WeakPolarHBondContact O-CA 3.42Å; Y1171-F1198 HydrophobicContact CD2-CD1 4.34Å; Y1171-F1198 AromaticContact CD2-CE1 3.61Å; Y1171-F1198 HydrophobicContact CD2-CE1 3.61Å; Y1171-F1198 HydrophobicContact CD2-CZ 4.08Å; Y1171-F1198 HydrophobicContact CG-CE1 4.23Å; A1196-F1198 HydrophobicContact CB-CE2 3.79Å; A1196-F1198 HydrophobicContact CB-CZ 3.79Å; F1198-K1200 PolarHBondContact O-N 3.21Å
1199	V	88.9	Confident	64.2	Low	1 Å²	1	42 Å²	42	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.1	168.6	159.9	0	0	0	0	109.2	F1057 I1067 G1169 I1170 D1172	F1057-V1199 HydrophobicContact CE2-CG1 3.73Å; F1057-V1199 HydrophobicContact CE2-CG2 4.24Å; F1057-V1199 HydrophobicContact CZ-CG1 4.06Å; I1067-V1199 HydrophobicContact CG2-CG2 3.71Å; G1169-V1199 CarbonylContact C-O 3.57Å; G1169-V1199 WeakPolarHBondContact CA-O 3.35Å; I1170-V1199 HydrophobicContact CB-CB 4.38Å; I1170-V1199 PolarHBondContact N-O 2.7Å; I1170-V1199 PolarHBondContact O-N 3.38Å; D1172-V1199 HydrophobicContact CB-CG2 4.44Å
1200	K	86.4	Confident	65.4	Low	37 Å²	37	39 Å²	39	16%	0.161	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	142.8	175.8	-66.4	-161.1	-173.3	-175.4	0	112.1	P1136 V1138 M1139 Y1140 F1198	P1136-K1200 VanDerWaalsContact O-CE 3.3Å; P1136-K1200 WeakPolarHBondContact O-CE 3.05Å; P1136-K1200 PolarHBondContact O-NZ 3.36Å; V1138-K1200 PolarHBondContact O-N 2.9Å; M1139-K1200 WeakPolarHBondContact O-CE 3.23Å; Y1140-K1200 HydrophobicContact CD2-CD 4.34Å; Y1140-K1200 HydrophobicContact CD2-CG 3.74Å; Y1140-K1200 HydrophobicContact CE1-CD 4.1Å; Y1140-K1200 VanDerWaalsContact CE1-CE 3.49Å; Y1140-K1200 HydrophobicContact CE2-CB 4.24Å; Y1140-K1200 HydrophobicContact CE2-CD 3.81Å; Y1140-K1200 HydrophobicContact CE2-CG 3.49Å; Y1140-K1200 VanDerWaalsContact CE2-CG 3.49Å; Y1140-K1200 HydrophobicContact CG-CG 4.34Å; F1198-K1200 PolarHBondContact O-N 3.21Å
1201	L	82.9	Confident	65.9	Low	2 Å²	2	36.3 Å²	36.3	1%	0.01	21%	0.205	C	C	.	.			trans	-109.1	149.2	166.1	-62.1	178.1	0	0	0	110.4	M1069 L1089 P1090 Q1167 F1168 I1170	M1069-L1201 HydrophobicContact CE-CD2 3.86Å; M1069-L1201 HydrophobicContact SD-CD2 4.22Å; L1089-L1201 HydrophobicContact CD2-CB 4.21Å; L1089-L1201 HydrophobicContact CD2-CD1 3.57Å; L1089-L1201 HydrophobicContact CD2-CG 4.49Å; P1090-L1201 WeakPolarHBondContact CG-O 3.5Å; Q1167-L1201 HydrophobicContact CG-CD1 4.04Å; F1168-L1201 PolarHBondContact O-N 2.8Å; I1170-L1201 HydrophobicContact CD1-CD1 4.4Å; I1170-L1201 HydrophobicContact CD1-CD2 4.03Å; I1170-L1201 HydrophobicContact CG1-CD1 3.95Å; I1170-L1201 HydrophobicContact CG1-CD2 4.25Å; I1170-L1201 HydrophobicContact CG1-CG 4.21Å
1202	E	68.5	Low	66.1	Low	34 Å²	34	32.2 Å²	32.2	16%	0.159	19%	0.19	C	C	.	.			trans	-144.4	148.4	171.1	-50.3	176.2	121.7	0	0	107.1	D1204 N1205	E1202-D1204 PolarHBondContact O-N 2.87Å; E1202-N1205 WeakPolarHBondContact CB-ND2 3.33Å; E1202-N1205 WeakPolarHBondContact O-CB 3.45Å; E1202-N1205 PolarHBondContact O-N 2.91Å; E1202-N1205 PolarHBondContact OE2-ND2 3.46Å
1203	G	54.4	Low	65.8	Low	33 Å²	33	33.2 Å²	33.2	34%	0.34	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.3	-168.6	0	0	0	0	0	116.7	P1090	P1090-G1203 PolarHBondContact O-N 3.48Å
1204	D	56.3	Low	64.7	Low	93 Å²	93	32.8 Å²	32.8	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.6	178	-65.5	-66	0	0	0	113.9	S1092 E1202 G1207 Q1208	S1092-D1204 PolarHBondContact OG-OD2 3.31Å; E1202-D1204 PolarHBondContact O-N 2.87Å; D1204-G1207 PolarHBondContact O-N 3.29Å; D1204-Q1208 PolarHBondContact O-N 3.27Å; D1204-Q1208 VanDerWaalsContact O-N 3.13Å
1205	N	58.1	Low	62.9	Low	18 Å²	18	36.9 Å²	36.9	10%	0.096	21%	0.214	C	C	.	.	H	α-helix	trans	-70.5	-39.6	-164.9	-77	-33.2	0	0	0	113.7	M1069 E1202 G1207 Q1208 V1209	M1069-N1205 HydrophobicContact CE-CB 3.87Å; M1069-N1205 HydrophobicContact SD-CB 4.15Å; E1202-N1205 WeakPolarHBondContact CB-ND2 3.33Å; E1202-N1205 WeakPolarHBondContact O-CB 3.45Å; E1202-N1205 PolarHBondContact O-N 2.91Å; E1202-N1205 PolarHBondContact OE2-ND2 3.46Å; N1205-G1207 VanDerWaalsContact C-N 3.32Å; N1205-G1207 PolarHBondContact O-N 3.02Å; N1205-Q1208 PolarHBondContact O-N 2.99Å; N1205-V1209 WeakPolarHBondContact O-CG2 3.49Å; N1205-V1209 PolarHBondContact O-N 3.19Å
1206	V	58.2	Low	60.3	Low	4 Å²	4	39.4 Å²	39.4	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-37.5	177	-176.3	0	0	0	0	111	Y999 V1011 M1071 L1089 Q1208 V1209	Y999-V1206 HydrophobicContact CD1-CG1 3.92Å; Y999-V1206 HydrophobicContact CE1-CB 4.41Å; Y999-V1206 HydrophobicContact CE1-CG1 3.71Å; Y999-V1206 HydrophobicContact CE2-CG1 4.47Å; Y999-V1206 HydrophobicContact CE2-CG2 4.39Å; Y999-V1206 HydrophobicContact CG-CG1 4.39Å; V1011-V1206 HydrophobicContact CG2-CG1 4.43Å; V1011-V1206 HydrophobicContact CG2-CG2 4.47Å; M1071-V1206 HydrophobicContact SD-CG1 4.04Å; L1089-V1206 HydrophobicContact CD1-CG2 3.72Å; V1206-Q1208 PolarHBondContact O-N 2.96Å; V1206-V1209 PolarHBondContact O-N 3.42Å
1207	G	54.3	Low	57.6	Low	33 Å²	33	45.5 Å²	45.5	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-66.2	-33.4	175	0	0	0	0	0	113.7	D1204 N1205 N1211	D1204-G1207 PolarHBondContact O-N 3.29Å; N1205-G1207 VanDerWaalsContact C-N 3.32Å; N1205-G1207 PolarHBondContact O-N 3.02Å; G1207-N1211 PolarHBondContact O-ND2 2.67Å
1208	Q	52.3	Low	54.8	Low	62 Å²	62	52.2 Å²	52.2	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-67.7	-35.5	174.5	-70.8	-179.6	33.3	0	0	112.7	D1204 N1205 V1206 Q1210 N1211 A1212	D1204-Q1208 PolarHBondContact O-N 3.27Å; D1204-Q1208 VanDerWaalsContact O-N 3.13Å; N1205-Q1208 PolarHBondContact O-N 2.99Å; V1206-Q1208 PolarHBondContact O-N 2.96Å; Q1208-Q1210 VanDerWaalsContact C-N 3.28Å; Q1208-Q1210 PolarHBondContact O-N 3.33Å; Q1208-N1211 PolarHBondContact O-N 3.24Å; Q1208-A1212 PolarHBondContact O-N 2.94Å
1209	V	56.6	Low	51.8	Low	6 Å²	6	57.6 Å²	57.6	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-38.2	179	172.2	0	0	0	0	111.3	Y1053 R1055 M1069 M1071 N1205 V1206	Y1053-V1209 WeakPolarHBondContact O-CG1 3.29Å; R1055-V1209 HydrophobicContact CB-CG2 3.96Å; M1069-V1209 HydrophobicContact CG-CG2 4Å; M1069-V1209 HydrophobicContact SD-CG2 4.03Å; M1071-V1209 HydrophobicContact CB-CG1 4.3Å; N1205-V1209 WeakPolarHBondContact O-CG2 3.49Å; N1205-V1209 PolarHBondContact O-N 3.19Å; V1206-V1209 PolarHBondContact O-N 3.42Å
1210	Q	51.9	Low	48.9	Very low	60 Å²	60	66.7 Å²	66.7	28%	0.28	38%	0.383	S	S	.	.	H	α-helix	trans	-71	-36.5	177.2	-61.7	-169.5	-2.8	0	0	114	E1009 M1071 Q1208 T1214	E1009-Q1210 PolarHBondContact OE1-NE2 3.2Å; E1009-Q1210 PolarHBondContact OE2-NE2 3.45Å; M1071-Q1210 HydrophobicContact CE-CG 3.72Å; M1071-Q1210 HydrophobicContact SD-CG 3.9Å; M1071-Q1210 PolarHBondContact SD-NE2 3.12Å; Q1208-Q1210 VanDerWaalsContact C-N 3.28Å; Q1208-Q1210 PolarHBondContact O-N 3.33Å; Q1210-T1214 PolarHBondContact O-OG1 3.43Å
1211	N	44	Very low	47.1	Very low	94 Å²	94	68.2 Å²	68.2	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-81.2	-18.8	-172.4	-77.9	-84.1	0	0	0	114	G1207 Q1208 D1213	G1207-N1211 PolarHBondContact O-ND2 2.67Å; Q1208-N1211 PolarHBondContact O-N 3.24Å; N1211-D1213 PolarHBondContact O-N 3.34Å
1212	A	44.2	Very low	45.2	Very low	40 Å²	40	71.6 Å²	71.6	33%	0.331	41%	0.414	S	S	.	.	H	α-helix	trans	-62.5	-42.4	-175.4	0	0	0	0	0	113	Q1208	Q1208-A1212 PolarHBondContact O-N 2.94Å
1213	D	41.6	Very low	43.9	Very low	80 Å²	80	73.7 Å²	73.7	43%	0.428	43%	0.428	S	S	.	.	H	α-helix	trans	-84.3	-26.7	-174.5	-67.6	-44.8	0	0	0	113.7	N1211 I1215 S1216 N1217	N1211-D1213 PolarHBondContact O-N 3.34Å; D1213-I1215 PolarHBondContact O-N 3.36Å; D1213-S1216 WeakPolarHBondContact O-CA 3.49Å; D1213-S1216 WeakPolarHBondContact O-CB 3.3Å; D1213-S1216 PolarHBondContact O-N 2.97Å; D1213-N1217 PolarHBondContact O-N 3.32Å
1214	T	32.8	Very low	43.3	Very low	79 Å²	79	76.1 Å²	76.1	49%	0.485	43%	0.434	S	S	.	.	H	α-helix	trans	-59.6	-39.3	175.4	-22.4	0	0	0	0	111	Q1210 S1216 N1217 D1218	Q1210-T1214 PolarHBondContact O-OG1 3.43Å; T1214-S1216 PolarHBondContact O-N 3.21Å; T1214-N1217 PolarHBondContact O-N 2.82Å; T1214-D1218 PolarHBondContact O-N 3.42Å
1215	I	32	Very low	42.4	Very low	95 Å²	95	75.1 Å²	75.1	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-69.5	-19.8	176.7	-60.9	172.3	0	0	0	111.8	D1213 I1219	D1213-I1215 PolarHBondContact O-N 3.36Å; I1215-I1219 HydrophobicContact CG2-CD1 4.09Å; I1215-I1219 WeakPolarHBondContact O-CD1 3.44Å; I1215-I1219 VanDerWaalsContact O-CG1 3.27Å; I1215-I1219 WeakPolarHBondContact O-CG1 3.24Å
1216	S	32	Very low	41.4	Very low	56 Å²	56	78.9 Å²	78.9	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-77	-41.1	175.7	-150.3	0	0	0	0	111.6	D1213 T1214 I1219	D1213-S1216 WeakPolarHBondContact O-CA 3.49Å; D1213-S1216 WeakPolarHBondContact O-CB 3.3Å; D1213-S1216 PolarHBondContact O-N 2.97Å; T1214-S1216 PolarHBondContact O-N 3.21Å; S1216-I1219 PolarHBondContact O-N 3.15Å
1217	N	31.8	Very low	40.2	Very low	128 Å²	128	84.2 Å²	84.2	68%	0.684	48%	0.482	S	S	*	.	H	α-helix	trans	-76.2	-32.3	-178.8	-69	-15.4	0	0	0	113.1	D1213 T1214 I1219	D1213-N1217 PolarHBondContact O-N 3.32Å; T1214-N1217 PolarHBondContact O-N 2.82Å; N1217-I1219 PolarHBondContact O-N 2.94Å
1218	D	31.7	Very low	39.1	Very low	142 Å²	142	88.2 Å²	88.2	76%	0.759	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	9	173.5	-87.7	-8	0	0	0	114.3	T1214	T1214-D1218 PolarHBondContact O-N 3.42Å
1219	I	28.6	Very low	38	Very low	112 Å²	112	90.3 Å²	90.3	57%	0.574	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	8.5	-173.2	-68.1	-175.9	0	0	0	112.9	I1215 S1216 N1217	I1215-I1219 HydrophobicContact CG2-CD1 4.09Å; I1215-I1219 WeakPolarHBondContact O-CD1 3.44Å; I1215-I1219 VanDerWaalsContact O-CG1 3.27Å; I1215-I1219 WeakPolarHBondContact O-CG1 3.24Å; S1216-I1219 PolarHBondContact O-N 3.15Å; N1217-I1219 PolarHBondContact O-N 2.94Å
1220	V	29.1	Very low	36.3	Very low	192 Å²	192	98 Å²	98	100%	1.164	55%	0.553	S	S	*	*			trans	-87.1	0	171.3	-178.6	0	0	0	0	111.2

Retrieved 1,220 of 1,220 residues in 673.8 ms (Link to these results)

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