A0A096NXU8_PAPAN Loading...

Desmoglein 2

AlphaFold DB , UniProt , Accession A0A096NXU8, Species PAPAN (Papio anubis, Olive baboon), Gene DSG2, Length 1,118 aa.

						>A0A096NXU8_PAPAN|A0A096NXU8|DSG2
MARSPGRAYALLLLLICFNVGSGLHLQVSSTRNENKLLPKHPHLVRQKRAWITAPVALREGEDLSKKNPIAKIHSDLTEERGLKVTYKYTGKGITEPPFGIFVFNKDTGELNITSILDREETPFFLLTGYALDERGNNVEKPLELRIKVLDINDNEPVFTQDVFVGSVEELSAAHTLVMKINATDADEPNTLNSKISYRIVSLEPAYPPVFYLNKDTGEIYTTSVTLDREEHSSYTLTVEARDGNGEVTDKPVKQAQVQIRILDVNDNIPVVENKVLEGMVEENQVNVEVTRIKVFDADEIGSDNWLANFTFASGNEGGYFHIETDAQTNEGIVTLIKEVDYEEMKNLDFSVIVTNKAAFHKSIRSKYKPTPIPIKVKVKNVKEGIHFKSSVISTYVSESMDKSSKGQIIGKFQAFDEDTGLLARARYVKLEDRDNWISLDSVTSEIKLAKLPDFESRYVQNGTYTVKIVAISEDYPRKTITGTVLIYVEDINDNCPTLIEPVQTICNDAQYVNVTAEDLDGHPNSGPFSFSVIDKPPGMAEKWKIVHQESTSVLLQQSEKKLGRSEIQFLISDNQGFSCPEKQMLTLTVCECLHGSGCREAQRDSYVGLGPAAIALMILAFLLLLLVPLLLLMCHCGKGGKGFTPIPGTIEMLHPWNNEGAPPEDKVVPSFLPVDQGESLGGRNGVGGMVKEATMKGSSSASFAKGQHEMSEMDGRWEEYRSLLSGRATQVTGATGAIMTTETTKTTRATGASRDMAGAQAAAVALNEEFLRNYFSDKAASYTEENENHTAKDCLLVYSQEETESLNASIGCCSFIEGELDDRFLDDLGLKFKTLAEVCLGQKIDINMEIEQRQKPATETSMNTASRSAYEQTMVNSENTYSSGSSFPVPKSLQEANAEKVTQEIVTERSVSSRQAQKVATPLPDPVASRNIIATETSYVTGSTMPPSTVILGPRQPQSLIVTERVYAPASALVDQPYANEGTVVVTERVIQPHGGGSNPLEGTQHLQDAPYVMVRERESFLAPSSGVQPTLAMPNIAVGQNVTVTERVLAPASTLQSSYQIPTENSLKARNTMVSGAGVPGPLPDFGLEESGHSNSTITTSSTRVTKHSTVQHSYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	35.1	Very low	245 Å²	245	153 Å²	153	100%	1.207	83%	0.831	S	S	*	*				0	170.2	0	-78.3	-178.2	171.2	0	0	109.2
2	A	32.1	Very low	34.8	Very low	88 Å²	88	152 Å²	152	73%	0.727	82%	0.823	S	S	*	*			trans	-8.8	151	159.8	0	0	0	0	0	119.3
3	R	32.7	Very low	34.5	Very low	242 Å²	242	151.8 Å²	151.8	91%	0.913	82%	0.82	S	S	*	*			cis	-165.4	171.7	7.4	-118.1	167.1	-173.9	169	0	110.3
4	S	37	Very low	34.3	Very low	108 Å²	108	150.8 Å²	150.8	76%	0.755	81%	0.813	S	S	*	*			trans	-86.9	168.3	173.3	60.7	0	0	0	0	114.2
5	P	50.7	Low	34.2	Very low	129 Å²	129	150.3 Å²	150.3	84%	0.838	81%	0.809	S	S	*	*				-140.3	175	108.4	39.2	-27.3	0	0	0	113.4
6	G	33.7	Very low	34	Very low	65 Å²	65	150.9 Å²	150.9	67%	0.67	81%	0.809	S	S	*	*			cis	151.5	131.6	-15.3	0	0	0	0	0	115.7
7	R	36.4	Very low	33.8	Very low	256 Å²	256	147.5 Å²	147.5	97%	0.966	80%	0.799	S	S	*	*			trans	71.9	156.1	164.3	-73.7	179.1	174.2	179.3	-2.7	118
8	A	32.8	Very low	33.6	Very low	76 Å²	76	149.3 Å²	149.3	63%	0.628	80%	0.799	S	S	*	*			cis	-165.3	-170.3	-11.1	0	0	0	0	0	112.2
9	Y	31.6	Very low	33.4	Very low	231 Å²	231	149.1 Å²	149.1	91%	0.906	80%	0.797	S	S	*	*			trans	77.7	129.8	-178.1	-61.5	-88.6	0	0	0	116
10	A	33.5	Very low	33.2	Very low	85 Å²	85	148.6 Å²	148.6	70%	0.702	80%	0.8	S	S	*	*			cis	100.7	108.7	-3.2	0	0	0	0	0	119.9
11	L	33.9	Very low	33	Very low	158 Å²	158	145.3 Å²	145.3	83%	0.827	80%	0.8	S	S	*	*				-177.6	152.8	118.2	-130.6	68.6	0	0	0	116.8
12	L	31	Very low	32.9	Very low	141 Å²	141	139.1 Å²	139.1	74%	0.738	78%	0.781	S	S	*	*			trans	71.1	105.9	147.9	-124.1	75.6	0	0	0	125.3
13	L	31.3	Very low	32.8	Very low	150 Å²	150	138.4 Å²	138.4	79%	0.785	78%	0.782	S	S	*	*			trans	25.5	147.1	132	-61.8	158.2	0	0	0	121.4
14	L	32.1	Very low	32.6	Very low	137 Å²	137	134.8 Å²	134.8	72%	0.717	78%	0.781	S	S	*	*				178.9	122.6	53.8	-161.7	130.9	0	0	0	114.1
15	L	31.8	Very low	32.1	Very low	144 Å²	144	136.9 Å²	136.9	75%	0.754	78%	0.778	S	S	*	*			trans	57.1	161.7	164.4	-85.7	82.9	0	0	0	119.8
16	I	30.9	Very low	31.1	Very low	159 Å²	159	137.2 Å²	137.2	82%	0.815	77%	0.772	S	S	*	*			cis	-122.1	156.6	13	-61.6	170.9	0	0	0	111.9
17	C	31.9	Very low	30.7	Very low	94 Å²	94	141.7 Å²	141.7	64%	0.635	78%	0.776	S	S	*	*			trans	-76.2	-177.8	-179.2	-47.5	0	0	0	0	113.9
18	F	29.1	Very low	30.2	Very low	180 Å²	180	136.7 Å²	136.7	79%	0.789	77%	0.773	S	S	*	*			cis	-159.3	166.6	22.6	-131.4	-69	0	0	0	113.2
19	N	30.2	Very low	29.9	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	77%	0.773	S	S	*	*			trans	92.9	143.8	157.5	-76.5	-36.8	0	0	0	120.2
20	V	29.2	Very low	29.6	Very low	139 Å²	139	131.3 Å²	131.3	84%	0.842	77%	0.765	S	S	*	*			trans	-126.6	147.1	-169	171.5	0	0	0	0	108.4
21	G	28.9	Very low	29.4	Very low	79 Å²	79	133.4 Å²	133.4	81%	0.814	77%	0.769	S	S	*	*			trans	-156.9	77.2	177.4	0	0	0	0	0	112.6
22	S	30.9	Very low	29.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	77%	0.768	S	S	*	*			trans	-131.6	129.6	-178.3	-56.5	0	0	0	0	111.8
23	G	29.8	Very low	28.9	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	77%	0.765	S	S	*	*			trans	97.2	99.3	151.3	0	0	0	0	0	119.5
24	L	28.1	Very low	28.9	Very low	167 Å²	167	135.1 Å²	135.1	87%	0.874	76%	0.76	S	S	*	*				61	168	118.1	-124.7	126.4	0	0	0	122.6
25	H	25.4	Very low	28.8	Very low	152 Å²	152	133.7 Å²	133.7	70%	0.704	75%	0.753	S	S	*	*			trans	71.8	117.9	175.9	-110.8	-100.6	0	0	0	116.2
26	L	29.9	Very low	28.8	Very low	136 Å²	136	135.3 Å²	135.3	71%	0.712	75%	0.754	S	S	*	*			cis	90.1	106.9	36.4	-173.4	163.2	0	0	0	113.4
27	Q	25.8	Very low	28.8	Very low	159 Å²	159	135.4 Å²	135.4	74%	0.743	76%	0.755	S	S	*	*			trans	-165.1	138.1	147.2	-136	171.8	-1	0	0	113.1	S29	Q27-S29 PolarHBondContact NE2-OG 3.42Å
28	V	25.3	Very low	28.9	Very low	150 Å²	150	138.1 Å²	138.1	91%	0.909	76%	0.763	S	S	*	*			trans	-130.9	113.2	151.4	174.8	0	0	0	0	106.2
29	S	27.5	Very low	29.7	Very low	90 Å²	90	134.5 Å²	134.5	63%	0.629	76%	0.757	S	S	*	*			trans	-100.1	142	-177.9	-62	0	0	0	0	110.8	Q27	Q27-S29 PolarHBondContact NE2-OG 3.42Å
30	S	26.2	Very low	29.7	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	76%	0.759	S	S	*	*			trans	-116.1	133.3	-178.4	-174.3	0	0	0	0	111.7
31	T	28.7	Very low	30.2	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	76%	0.759	S	S	*	*			trans	64.8	159.4	178.9	75.5	0	0	0	0	114.6
32	R	26.8	Very low	30.6	Very low	214 Å²	214	140.3 Å²	140.3	81%	0.808	76%	0.756	S	S	*	*			cis	-159.1	137.3	16.1	-170.9	179.4	-179.1	177.7	1.8	111.3
33	N	27.8	Very low	31.2	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	76%	0.759	S	S	*	*			trans	60.4	157.8	164.5	-73.4	32.3	0	0	0	116.7
34	E	30.9	Very low	31.3	Very low	145 Å²	145	148.6 Å²	148.6	68%	0.678	77%	0.766	S	S	*	*			cis	-155	161.5	0.6	-134.3	172.3	-105.8	0	0	114.7
35	N	29.7	Very low	31.7	Very low	108 Å²	108	147.2 Å²	147.2	58%	0.578	77%	0.765	S	S	*	*			trans	54.1	106.3	146.9	-87.3	-47.8	0	0	0	123.2
36	K	31.5	Very low	32.1	Very low	177 Å²	177	148 Å²	148	77%	0.77	76%	0.761	S	S	*	*				91.1	140.2	123.6	-79.8	175.1	-178.9	176.2	0	123.5
37	L	32.3	Very low	32.3	Very low	162 Å²	162	150.1 Å²	150.1	85%	0.848	77%	0.768	S	S	*	*			trans	81.7	89.1	151.1	-74	159.5	0	0	0	120.5
38	L	32.8	Very low	32.9	Very low	151 Å²	151	147.7 Å²	147.7	79%	0.791	76%	0.755	S	S	*	*			trans	-32.5	162.5	136.6	-75.3	159.4	0	0	0	114.7
39	P	45.9	Very low	33.8	Very low	104 Å²	104	151.3 Å²	151.3	68%	0.675	75%	0.752	S	S	*	*			cis	-143.1	156.6	24.8	39.3	-20.4	0	0	0	118.6
40	K	30.6	Very low	34.6	Very low	188 Å²	188	151.6 Å²	151.6	82%	0.817	76%	0.76	S	S	*	*				165	136.2	116.9	-90.3	168.7	-177.4	179.5	0	111.4
41	H	39.6	Very low	35.8	Very low	182 Å²	182	157.6 Å²	157.6	84%	0.843	77%	0.767	S	S	*	*			trans	-69.9	145.6	169.4	-60.7	-79	0	0	0	110.6
42	P	36.6	Very low	36.9	Very low	115 Å²	115	159.4 Å²	159.4	75%	0.747	77%	0.77	S	S	*	*				-118.2	169	103.5	35.1	-34.9	0	0	0	113	L44	P42-L44 PolarHBondContact O-N 3.2Å
43	H	45.2	Very low	38.4	Very low	188 Å²	188	151.4 Å²	151.4	87%	0.87	75%	0.745	S	S	*	*			trans	-59.3	126.6	-173.2	-70.3	-103	0	0	0	113.6
44	L	31	Very low	40	Very low	173 Å²	173	149.4 Å²	149.4	91%	0.906	75%	0.746	S	S	*	*			trans	-95	120.9	161.9	-75.1	171	0	0	0	109.5	P42 R46	P42-L44 PolarHBondContact O-N 3.2Å; L44-R46 PolarHBondContact O-N 3.41Å
45	V	35.8	Very low	41.9	Very low	138 Å²	138	146.6 Å²	146.6	84%	0.836	74%	0.74	S	S	*	*			trans	-82.5	113.4	170.7	177.5	0	0	0	0	108.8	Q47	V45-Q47 PolarHBondContact O-N 3.44Å
46	R	34.1	Very low	44.5	Very low	168 Å²	168	142.9 Å²	142.9	63%	0.634	72%	0.721	S	S	*	*			trans	-74.2	110.2	179.6	-178.8	176.5	172	-133.2	-4	110.5	L44 D76 E80	L44-R46 PolarHBondContact O-N 3.41Å; R46-D76 IonicContact CZ-OD2 2.71Å; R46-D76 IonicContact NH1-OD2 3.23Å; R46-D76 PolarHBondContact NH1-OD2 3.41Å; R46-D76 IonicContact NH2-OD2 3.88Å; R46-D76 PolarHBondContact NH2-OD2 3.45Å; R46-E80 IonicContact NH1-OE1 2.72Å
47	Q	33.8	Very low	47.2	Very low	181 Å²	181	137 Å²	137	85%	0.846	71%	0.706	S	S	*	*			trans	-78.2	119.3	168.5	-74.6	-174.4	-22.2	0	0	110.3	V45 R49	V45-Q47 PolarHBondContact O-N 3.44Å; Q47-R49 PolarHBondContact O-N 3.23Å
48	K	37.9	Very low	50	Low	108 Å²	108	129.5 Å²	129.5	47%	0.47	67%	0.666	S	S	.	*			trans	-68.6	116	172.4	-89.4	-177.7	170	172.2	0	110.2	D76 E140	K48-D76 VanDerWaalsContact CE-OD1 3.29Å; K48-D76 WeakPolarHBondContact CE-OD1 3.35Å; K48-D76 IonicContact NZ-OD1 3.71Å; K48-D76 PolarHBondContact NZ-OD1 3.42Å; K48-E140 IonicContact NZ-OE1 3.43Å; K48-E140 PolarHBondContact NZ-OE1 3.35Å; K48-E140 IonicContact NZ-OE2 2.73Å; K48-E140 PolarHBondContact NZ-OE2 2.95Å
49	R	44.5	Very low	52.8	Low	226 Å²	226	127.1 Å²	127.1	85%	0.853	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-78.4	137.1	153	-70.9	-175.9	176.1	-174.9	-1.9	107.7	Q47	Q47-R49 PolarHBondContact O-N 3.23Å
50	A	44.9	Very low	55.2	Low	97 Å²	97	122.3 Å²	122.3	80%	0.802	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-70.3	130	168.7	0	0	0	0	0	108.8
51	W	52.3	Low	58	Low	230 Å²	230	115.7 Å²	115.7	87%	0.871	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-85.3	134.9	167.9	-69.1	88.7	0	0	0	108.2	T53	W51-T53 PolarHBondContact O-N 3.39Å
52	I	50	Low	60.4	Low	167 Å²	167	109.9 Å²	109.9	86%	0.856	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-72	117.4	166.3	-60.4	174.2	0	0	0	106.2	A54	I52-A54 PolarHBondContact O-N 3.24Å
53	T	60.1	Low	63	Low	47 Å²	47	109 Å²	109	29%	0.288	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-58.4	128.3	174.8	-24.2	0	0	0	0	108.9	W51 L143 E144 L145	W51-T53 PolarHBondContact O-N 3.39Å; T53-L143 HydrophobicContact CG2-CD2 4.24Å; T53-L143 WeakPolarHBondContact OG1-CD1 3.29Å; T53-L143 WeakPolarHBondContact OG1-CG 3.47Å; T53-E144 PolarHBondContact OG1-O 2.94Å; T53-L145 HydrophobicContact CG2-CD1 3.98Å
54	A	60.3	Low	65.1	Low	83 Å²	83	100.1 Å²	100.1	69%	0.686	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61	129.4	170.5	0	0	0	0	0	108.5	I52 V56	I52-A54 PolarHBondContact O-N 3.24Å; A54-V56 PolarHBondContact O-N 3.45Å
55	P	71.4	Confident	67.8	Low	86 Å²	86	94.7 Å²	94.7	56%	0.558	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-65.8	133.8	-178.8	27	-33.9	0	0	0	109.8	R146	P55-R146 VanDerWaalsContact CA-O 3.25Å; P55-R146 WeakPolarHBondContact CA-O 3.25Å; P55-R146 HydrophobicContact CB-CB 4.49Å; P55-R146 WeakPolarHBondContact CB-O 3.36Å
56	V	83.4	Confident	70.3	Confident	30 Å²	30	96.9 Å²	96.9	18%	0.182	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	130.3	176.5	-178.8	0	0	0	0	108	A54 L58 I70 A71 L145 R146 I147 K148	A54-V56 PolarHBondContact O-N 3.45Å; V56-L58 HydrophobicContact CG1-CD2 3.89Å; V56-L58 HydrophobicContact CG1-CG 4.12Å; V56-I70 HydrophobicContact CG1-CB 4.46Å; V56-I70 WeakPolarHBondContact CG2-O 3.36Å; V56-A71 HydrophobicContact CG2-CB 4.31Å; V56-L145 HydrophobicContact CG2-CD1 4.22Å; V56-R146 PolarHBondContact N-O 2.94Å; V56-R146 VanDerWaalsContact N-O 3.17Å; V56-I147 HydrophobicContact CB-CG1 4.41Å; V56-I147 CarbonylContact O-C 3.59Å; V56-I147 VanDerWaalsContact O-CA 3.26Å; V56-I147 WeakPolarHBondContact O-CA 3.21Å; V56-K148 PolarHBondContact O-N 2.82Å
57	A	88.8	Confident	72.8	Confident	53 Å²	53	93.5 Å²	93.5	44%	0.438	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.5	179	0	0	0	0	0	109.6	K148 L150	A57-K148 WeakPolarHBondContact CA-O 3.19Å; A57-L150 HydrophobicContact CB-CD1 3.83Å; A57-L150 HydrophobicContact CB-CD2 4.14Å; A57-L150 HydrophobicContact CB-CG 3.95Å
58	L	91.4	Very high	75.4	Confident	4 Å²	4	87.1 Å²	87.1	2%	0.021	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.1	178.9	-56.7	178.1	0	0	0	108	V56 L64 I70 F102 I113 L117 I147 K148 V149 L150	V56-L58 HydrophobicContact CG1-CD2 3.89Å; V56-L58 HydrophobicContact CG1-CG 4.12Å; L58-L64 HydrophobicContact CB-CD1 4Å; L58-L64 HydrophobicContact CB-CD2 4.24Å; L58-L64 HydrophobicContact CD1-CD1 4.35Å; L58-L64 HydrophobicContact CD2-CD2 4.3Å; L58-I70 HydrophobicContact CD1-CD1 3.88Å; L58-I70 HydrophobicContact CD1-CG2 4.19Å; L58-I70 HydrophobicContact CD2-CB 4.35Å; L58-I70 HydrophobicContact CD2-CG2 3.83Å; L58-F102 HydrophobicContact CD1-CE1 4.43Å; L58-I113 HydrophobicContact CD1-CD1 4.14Å; L58-L117 HydrophobicContact CB-CD1 3.82Å; L58-L117 HydrophobicContact CD1-CD1 3.95Å; L58-I147 HydrophobicContact CD1-CG2 3.73Å; L58-I147 HydrophobicContact CG-CG2 3.99Å; L58-K148 PolarHBondContact N-O 2.92Å; L58-V149 CarbonylContact O-C 3.55Å; L58-V149 VanDerWaalsContact O-CA 3.31Å; L58-V149 WeakPolarHBondContact O-CA 3.43Å; L58-L150 PolarHBondContact O-N 2.96Å
59	R	92	Very high	77.9	Confident	101 Å²	101	85 Å²	85	38%	0.381	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.8	174.5	-177.4	-172.3	-70.1	-66.8	5.8	109.2	E62 L150 D151 I152	R59-E62 HydrophobicContact CB-CG 4.06Å; R59-E62 HydrophobicContact CG-CG 4.46Å; R59-E62 WeakPolarHBondContact O-CG 3.45Å; R59-L150 HydrophobicContact CB-CB 4.32Å; R59-L150 WeakPolarHBondContact CG-O 3.17Å; R59-D151 PolarHBondContact NH1-O 2.86Å; R59-I152 HydrophobicContact CG-CG2 3.72Å; R59-I152 VanDerWaalsContact NH1-CG2 3.35Å
60	E	94.4	Very high	80	Confident	3 Å²	3	75.1 Å²	75.1	1%	0.014	42%	0.419	C	S	.	.	S	Bend	trans	-75.3	172.3	170.8	71.2	-157.9	117.7	0	0	113.4	E62 L117 R119 V149 L150 D151 I152	E60-E62 PolarHBondContact O-N 3.1Å; E60-L117 WeakPolarHBondContact CA-O 3.37Å; E60-L117 HydrophobicContact CB-CB 4.43Å; E60-L117 VanDerWaalsContact CB-O 3.24Å; E60-L117 WeakPolarHBondContact CB-O 3.36Å; E60-R119 WeakPolarHBondContact OE1-CB 3.46Å; E60-R119 WeakPolarHBondContact OE2-CA 3.41Å; E60-R119 WeakPolarHBondContact OE2-CB 3.37Å; E60-R119 PolarHBondContact OE2-N 3.49Å; E60-V149 HydrophobicContact CB-CG1 3.91Å; E60-L150 PolarHBondContact N-O 2.97Å; E60-D151 WeakPolarHBondContact OE1-CA 3.42Å; E60-I152 HydrophobicContact CG-CB 4.38Å; E60-I152 HydrophobicContact CG-CD1 3.74Å; E60-I152 HydrophobicContact CG-CG1 3.59Å; E60-I152 HydrophobicContact CG-CG2 4.24Å; E60-I152 PolarHBondContact OE1-N 2.96Å
61	G	89.9	Confident	82	Confident	50 Å²	50	71.2 Å²	71.2	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	65	-17.5	176.8	0	0	0	0	0	116.7	L117	G61-L117 PolarHBondContact N-O 2.77Å; G61-L117 VanDerWaalsContact N-O 3.1Å
62	E	91	Very high	83.6	Confident	60 Å²	60	65.8 Å²	65.8	28%	0.28	37%	0.37	S	S	.	.	S	Bend	trans	-95.6	150.7	-179.9	63.3	170.8	-159.4	0	0	113.4	R59 E60 L64 K67	R59-E62 HydrophobicContact CB-CG 4.06Å; R59-E62 HydrophobicContact CG-CG 4.46Å; R59-E62 WeakPolarHBondContact O-CG 3.45Å; E60-E62 PolarHBondContact O-N 3.1Å; E62-L64 HydrophobicContact CG-CD2 3.88Å; E62-L64 HydrophobicContact CG-CG 4.2Å; E62-L64 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact O-N 3.12Å; E62-L64 WeakPolarHBondContact OE1-CD2 3.36Å; E62-K67 WeakPolarHBondContact OE1-CE 3.47Å; E62-K67 IonicContact OE1-NZ 3.33Å; E62-K67 PolarHBondContact OE1-NZ 2.89Å; E62-K67 IonicContact OE2-NZ 2.69Å
63	D	90.4	Very high	85.4	Confident	95 Å²	95	58.9 Å²	58.9	51%	0.508	33%	0.334	S	S	.	.			trans	-71.9	103.5	168.9	170.5	30.7	0	0	0	110.8	S65	D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 PolarHBondContact O-N 3.36Å; D63-S65 WeakPolarHBondContact OD1-CB 3.31Å; D63-S65 PolarHBondContact OD1-N 3.02Å; D63-S65 PolarHBondContact OD1-OG 3.38Å; D63-S65 PolarHBondContact OD2-OG 3.47Å
64	L	90.1	Very high	86.5	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-80	1.4	179.8	-64.6	165.6	0	0	0	113.5	L58 E62 K66 K67 I113 L117	L58-L64 HydrophobicContact CB-CD1 4Å; L58-L64 HydrophobicContact CB-CD2 4.24Å; L58-L64 HydrophobicContact CD1-CD1 4.35Å; L58-L64 HydrophobicContact CD2-CD2 4.3Å; E62-L64 HydrophobicContact CG-CD2 3.88Å; E62-L64 HydrophobicContact CG-CG 4.2Å; E62-L64 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact O-N 3.12Å; E62-L64 WeakPolarHBondContact OE1-CD2 3.36Å; L64-K66 PolarHBondContact O-N 3.34Å; L64-K66 VanDerWaalsContact O-N 3.09Å; L64-K67 HydrophobicContact CD2-CD 3.79Å; L64-K67 PolarHBondContact O-N 3.44Å; L64-I113 HydrophobicContact CB-CG2 3.65Å; L64-I113 HydrophobicContact CD1-CD1 3.63Å; L64-I113 HydrophobicContact CD1-CG2 4.5Å; L64-L117 HydrophobicContact CD1-CD1 3.88Å; L64-L117 HydrophobicContact CD1-CG 3.96Å
65	S	87.7	Confident	87.6	Confident	59 Å²	59	57.8 Å²	57.8	41%	0.413	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-51.1	-37.8	-178.7	68.5	0	0	0	0	113.7	D63 K67 N68	D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 PolarHBondContact O-N 3.36Å; D63-S65 WeakPolarHBondContact OD1-CB 3.31Å; D63-S65 PolarHBondContact OD1-N 3.02Å; D63-S65 PolarHBondContact OD1-OG 3.38Å; D63-S65 PolarHBondContact OD2-OG 3.47Å; S65-K67 VanDerWaalsContact C-N 3.29Å; S65-K67 PolarHBondContact O-N 2.9Å; S65-N68 WeakPolarHBondContact O-CB 3.47Å; S65-N68 PolarHBondContact O-N 3.2Å
66	K	87.6	Confident	88	Confident	184 Å²	184	55.5 Å²	55.5	80%	0.8	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-76.7	-10.5	-179.5	-63.1	167.6	-169.4	156.9	0	114.1	L64	L64-K66 PolarHBondContact O-N 3.34Å; L64-K66 VanDerWaalsContact O-N 3.09Å
67	K	86.9	Confident	87.6	Confident	98 Å²	98	55.5 Å²	55.5	43%	0.426	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-96.7	-0	175.2	-61.7	-172.9	-175.3	171.1	0	112.7	E62 L64 S65 P69 I70	E62-K67 WeakPolarHBondContact OE1-CE 3.47Å; E62-K67 IonicContact OE1-NZ 3.33Å; E62-K67 PolarHBondContact OE1-NZ 2.89Å; E62-K67 IonicContact OE2-NZ 2.69Å; L64-K67 HydrophobicContact CD2-CD 3.79Å; L64-K67 PolarHBondContact O-N 3.44Å; S65-K67 VanDerWaalsContact C-N 3.29Å; S65-K67 PolarHBondContact O-N 2.9Å; K67-P69 CarbonylContact O-C 3.6Å; K67-P69 VanDerWaalsContact O-C 3.31Å; K67-I70 HydrophobicContact CB-CG2 4.39Å; K67-I70 PolarHBondContact O-N 3.38Å
68	N	88.7	Confident	86.6	Confident	47 Å²	47	55 Å²	55	25%	0.251	29%	0.285	S	S	.	.			trans	-74.2	140	174.4	-78	-39.2	0	0	0	112	S65 N112 I113	S65-N68 WeakPolarHBondContact O-CB 3.47Å; S65-N68 PolarHBondContact O-N 3.2Å; N68-N112 HydrophobicContact CB-CB 4.4Å; N68-N112 WeakPolarHBondContact OD1-CA 3.18Å; N68-N112 WeakPolarHBondContact OD1-CB 3.4Å; N68-I113 PolarHBondContact ND2-O 2.94Å; N68-I113 PolarHBondContact OD1-N 3.49Å
69	P	89.8	Confident	85.6	Confident	64 Å²	64	62.4 Å²	62.4	42%	0.416	32%	0.319	S	S	.	.	S	Bend	cis	-74.8	129.4	-5.8	31.3	-34.4	0	0	0	111.8	K67 A71 E110 L111 N112	K67-P69 CarbonylContact O-C 3.6Å; K67-P69 VanDerWaalsContact O-C 3.31Å; P69-A71 VanDerWaalsContact C-N 3.28Å; P69-A71 PolarHBondContact O-N 3.47Å; P69-E110 HydrophobicContact CB-CB 3.9Å; P69-E110 HydrophobicContact CB-CG 4.01Å; P69-E110 HydrophobicContact CG-CB 4.5Å; P69-E110 HydrophobicContact CG-CG 4.07Å; P69-L111 CarbonylContact C-O 3.59Å; P69-L111 WeakPolarHBondContact CA-O 3.26Å; P69-N112 WeakPolarHBondContact CA-OD1 3.29Å; P69-N112 WeakPolarHBondContact CB-OD1 3.45Å
70	I	88.3	Confident	84.3	Confident	17 Å²	17	63.7 Å²	63.7	9%	0.087	33%	0.33	C	S	.	.	S	Bend	trans	-71.2	-23.9	-176.8	55	158.3	0	0	0	112.9	V56 L58 K67 F102 L111 I113 I147	V56-I70 HydrophobicContact CG1-CB 4.46Å; V56-I70 WeakPolarHBondContact CG2-O 3.36Å; L58-I70 HydrophobicContact CD1-CD1 3.88Å; L58-I70 HydrophobicContact CD1-CG2 4.19Å; L58-I70 HydrophobicContact CD2-CB 4.35Å; L58-I70 HydrophobicContact CD2-CG2 3.83Å; K67-I70 HydrophobicContact CB-CG2 4.39Å; K67-I70 PolarHBondContact O-N 3.38Å; I70-F102 HydrophobicContact CD1-CD1 3.64Å; I70-F102 HydrophobicContact CD1-CE1 3.6Å; I70-L111 HydrophobicContact CD1-CD2 4.22Å; I70-L111 HydrophobicContact CD1-CG 4.33Å; I70-L111 HydrophobicContact CG1-CD2 4.49Å; I70-L111 HydrophobicContact CG1-CG 4.29Å; I70-L111 WeakPolarHBondContact CG1-O 3.47Å; I70-L111 PolarHBondContact N-O 2.83Å; I70-I113 HydrophobicContact CD1-CB 4.2Å; I70-I113 HydrophobicContact CG2-CB 4.48Å; I70-I113 HydrophobicContact CG2-CG2 3.8Å; I70-I147 HydrophobicContact CD1-CD1 3.86Å
71	A	86.6	Confident	83	Confident	15 Å²	15	71.8 Å²	71.8	12%	0.124	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.9	170.5	0	0	0	0	0	110.2	V56 P69 L111 L145	V56-A71 HydrophobicContact CG2-CB 4.31Å; P69-A71 VanDerWaalsContact C-N 3.28Å; P69-A71 PolarHBondContact O-N 3.47Å; A71-L111 HydrophobicContact CB-CB 4.2Å; A71-L111 HydrophobicContact CB-CD2 4.32Å; A71-L111 PolarHBondContact N-O 3.15Å; A71-L111 PolarHBondContact O-N 2.65Å; A71-L145 HydrophobicContact CB-CD1 4.3Å; A71-L145 HydrophobicContact CB-CD2 3.67Å
72	K	87.8	Confident	82	Confident	116 Å²	116	72.7 Å²	72.7	50%	0.504	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	123.2	172.5	-174.1	170.9	-170.6	163.2	0	110.2	T108 G109 E110	K72-T108 WeakPolarHBondContact CE-O 3.49Å; K72-G109 WeakPolarHBondContact CA-O 3.5Å; K72-E110 HydrophobicContact CB-CG 4.3Å; K72-E110 HydrophobicContact CD-CG 3.59Å; K72-E110 WeakPolarHBondContact CE-OE1 3.5Å; K72-E110 HydrophobicContact CG-CG 3.82Å; K72-E110 IonicContact NZ-OE1 2.71Å; K72-E110 PolarHBondContact NZ-OE1 3.09Å
73	I	86.1	Confident	81.3	Confident	23 Å²	23	74.1 Å²	74.1	12%	0.118	38%	0.379	C	S	.	.			trans	-95.4	145	167.7	57.7	177.8	0	0	0	110.1	Y87 Y89 G109 L143	I73-Y87 HydrophobicContact CD1-CD1 3.76Å; I73-Y87 HydrophobicContact CD1-CG 4.42Å; I73-Y87 HydrophobicContact CG1-CD1 3.67Å; I73-Y87 HydrophobicContact CG1-CE1 4.28Å; I73-Y87 HydrophobicContact CG1-CG 4.28Å; I73-Y89 HydrophobicContact CD1-CE1 4.42Å; I73-Y89 HydrophobicContact CD1-CE2 3.88Å; I73-Y89 HydrophobicContact CG1-CE2 4.02Å; I73-G109 PolarHBondContact N-O 3.13Å; I73-L143 HydrophobicContact CG2-CD2 3.9Å
74	H	84.7	Confident	80.8	Confident	107 Å²	107	74.9 Å²	74.9	50%	0.495	38%	0.378	S	S	.	.			trans	-151.2	140.2	-179.9	-178.3	80	0	0	0	110.1
75	S	83.2	Confident	80.6	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.379	C	S	.	.			trans	-109	126.4	177.7	-179.5	0	0	0	0	111.4	L77 T78 Y87 E140	S75-L77 PolarHBondContact O-N 2.96Å; S75-L77 WeakPolarHBondContact OG-CB 3.41Å; S75-L77 PolarHBondContact OG-N 3.06Å; S75-T78 WeakPolarHBondContact O-CB 3.47Å; S75-T78 PolarHBondContact O-N 2.87Å; S75-T78 VanDerWaalsContact O-N 3.12Å; S75-T78 PolarHBondContact O-OG1 3.5Å; S75-Y87 PolarHBondContact N-OH 2.87Å; S75-E140 VanDerWaalsContact CB-OE1 3.31Å; S75-E140 WeakPolarHBondContact CB-OE1 3.41Å; S75-E140 PolarHBondContact OG-OE1 2.95Å
76	D	79.3	Confident	80.7	Confident	38 Å²	38	74.1 Å²	74.1	20%	0.203	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.9	175.4	47.8	6.2	0	0	0	113.2	R46 K48 T78 E79 E80	R46-D76 IonicContact CZ-OD2 2.71Å; R46-D76 IonicContact NH1-OD2 3.23Å; R46-D76 PolarHBondContact NH1-OD2 3.41Å; R46-D76 IonicContact NH2-OD2 3.88Å; R46-D76 PolarHBondContact NH2-OD2 3.45Å; K48-D76 VanDerWaalsContact CE-OD1 3.29Å; K48-D76 WeakPolarHBondContact CE-OD1 3.35Å; K48-D76 IonicContact NZ-OD1 3.71Å; K48-D76 PolarHBondContact NZ-OD1 3.42Å; D76-T78 PolarHBondContact O-N 3.34Å; D76-E79 PolarHBondContact O-N 3.34Å; D76-E80 WeakPolarHBondContact O-CB 3.45Å; D76-E80 PolarHBondContact O-N 2.96Å
77	L	74.6	Confident	80.8	Confident	30 Å²	30	65.9 Å²	65.9	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-25.5	172.1	-62.9	169.3	0	0	0	113.3	S75 R81 V139	S75-L77 PolarHBondContact O-N 2.96Å; S75-L77 WeakPolarHBondContact OG-CB 3.41Å; S75-L77 PolarHBondContact OG-N 3.06Å; L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 PolarHBondContact O-N 3.35Å; L77-V139 HydrophobicContact CD1-CB 4Å; L77-V139 HydrophobicContact CD1-CG2 4.41Å; L77-V139 WeakPolarHBondContact CD1-O 3.16Å
78	T	68.4	Low	81	Confident	41 Å²	41	65.8 Å²	65.8	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-46.7	178.2	-33.9	0	0	0	0	110.5	S75 D76 G82 L83 V85	S75-T78 WeakPolarHBondContact O-CB 3.47Å; S75-T78 PolarHBondContact O-N 2.87Å; S75-T78 VanDerWaalsContact O-N 3.12Å; S75-T78 PolarHBondContact O-OG1 3.5Å; D76-T78 PolarHBondContact O-N 3.34Å; T78-G82 WeakPolarHBondContact O-CA 3.32Å; T78-G82 PolarHBondContact O-N 2.83Å; T78-G82 VanDerWaalsContact O-N 3.17Å; T78-L83 WeakPolarHBondContact CG2-O 3.25Å; T78-V85 HydrophobicContact CG2-CG2 4.41Å
79	E	69.8	Low	81.2	Confident	161 Å²	161	63.6 Å²	63.6	75%	0.752	32%	0.322	S	S	*	.	H	α-helix	trans	-85.7	-40.8	-177	-59.5	-170.1	161.2	0	0	112.3	D76 R81	D76-E79 PolarHBondContact O-N 3.34Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.89Å
80	E	65.2	Low	81.3	Confident	128 Å²	128	61.7 Å²	61.7	60%	0.598	31%	0.31	S	S	*	.	H	α-helix	trans	-69.3	-23.5	-179	-74.3	-170	174.6	0	0	113.8	R46 D76	R46-E80 IonicContact NH1-OE1 2.72Å; D76-E80 WeakPolarHBondContact O-CB 3.45Å; D76-E80 PolarHBondContact O-N 2.96Å
81	R	67.5	Low	81.5	Confident	172 Å²	172	61.1 Å²	61.1	65%	0.649	31%	0.308	S	S	*	.	H	α-helix	trans	-129.8	-4.3	-171.9	-56.9	-173.9	180	-168.8	-0.9	115.4	L77 E79 L83	L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 PolarHBondContact O-N 3.35Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.89Å; R81-L83 HydrophobicContact CB-CD1 3.94Å; R81-L83 HydrophobicContact CB-CG 4.01Å; R81-L83 PolarHBondContact O-N 3.43Å
82	G	68.6	Low	81.7	Confident	70 Å²	70	63.6 Å²	63.6	72%	0.722	32%	0.316	S	S	*	.			trans	63.2	20.9	-175.9	0	0	0	0	0	114	T78	T78-G82 WeakPolarHBondContact O-CA 3.32Å; T78-G82 PolarHBondContact O-N 2.83Å; T78-G82 VanDerWaalsContact O-N 3.17Å
83	L	75.4	Confident	81.8	Confident	90 Å²	90	58.1 Å²	58.1	47%	0.471	29%	0.292	S	S	.	.			trans	-79.9	128.4	177.3	-73.4	168	0	0	0	109.4	T78 R81 V85	T78-L83 WeakPolarHBondContact CG2-O 3.25Å; R81-L83 HydrophobicContact CB-CD1 3.94Å; R81-L83 HydrophobicContact CB-CG 4.01Å; R81-L83 PolarHBondContact O-N 3.43Å; L83-V85 PolarHBondContact O-N 2.87Å
84	K	81.1	Confident	82.1	Confident	111 Å²	111	58.5 Å²	58.5	48%	0.483	29%	0.294	S	S	.	.			trans	-72.2	114.1	171.3	-167.4	180	-179.4	-171.5	0	109.4	D107 E134	K84-D107 IonicContact NZ-OD1 2.8Å; K84-D107 PolarHBondContact NZ-OD1 3.42Å; K84-D107 VanDerWaalsContact NZ-OD1 3.1Å; K84-E134 HydrophobicContact CB-CG 4.25Å
85	V	84.8	Confident	82.5	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.036	29%	0.289	C	S	.	.			trans	-98.8	140.1	174.6	-179.8	0	0	0	0	108.9	T78 L83 Y87 A131 L132 V139	T78-V85 HydrophobicContact CG2-CG2 4.41Å; L83-V85 PolarHBondContact O-N 2.87Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CE1 3.9Å; V85-Y87 HydrophobicContact CG1-CE2 4.25Å; V85-A131 HydrophobicContact CG1-CB 3.79Å; V85-L132 WeakPolarHBondContact CA-O 3.14Å; V85-V139 HydrophobicContact CG1-CG2 4Å; V85-V139 HydrophobicContact CG2-CG2 4.12Å
86	T	89.6	Confident	82.9	Confident	38 Å²	38	61.2 Å²	61.2	23%	0.233	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144	169.6	61.1	0	0	0	0	110.3	K106 L132	T86-K106 CarbonylContact C-O 3.57Å; T86-K106 WeakPolarHBondContact CA-O 3.23Å; T86-L132 PolarHBondContact N-O 3.02Å; T86-L132 PolarHBondContact O-N 3.22Å
87	Y	90	Very high	83.3	Confident	12 Å²	12	63.6 Å²	63.6	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.2	-173.3	-60.1	-79.8	0	0	0	111.1	I73 S75 V85 F104 K106 G109 Y130 A131	I73-Y87 HydrophobicContact CD1-CD1 3.76Å; I73-Y87 HydrophobicContact CD1-CG 4.42Å; I73-Y87 HydrophobicContact CG1-CD1 3.67Å; I73-Y87 HydrophobicContact CG1-CE1 4.28Å; I73-Y87 HydrophobicContact CG1-CG 4.28Å; S75-Y87 PolarHBondContact N-OH 2.87Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CE1 3.9Å; V85-Y87 HydrophobicContact CG1-CE2 4.25Å; Y87-F104 WeakPolarHBondContact O-CE2 3.38Å; Y87-K106 PolarHBondContact N-O 3.33Å; Y87-K106 WeakPolarHBondContact O-CA 3.41Å; Y87-G109 VanDerWaalsContact CD2-CA 3.48Å; Y87-Y130 WeakPolarHBondContact CA-O 3.32Å; Y87-A131 HydrophobicContact CD1-CB 4.06Å; Y87-A131 HydrophobicContact CE1-CB 3.93Å
88	K	91.8	Very high	84.1	Confident	96 Å²	96	63.6 Å²	63.6	42%	0.417	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.6	176.6	-179.7	-177.5	177.1	-170	0	109.9	T90 F104 G129 Y130 L132	K88-T90 HydrophobicContact CD-CG2 4.49Å; K88-F104 HydrophobicContact CB-CE2 4.42Å; K88-F104 HydrophobicContact CB-CZ 4.48Å; K88-F104 HydrophobicContact CG-CZ 4.09Å; K88-G129 CarbonylContact O-C 3.52Å; K88-Y130 PolarHBondContact N-O 2.97Å; K88-Y130 PolarHBondContact O-N 3.02Å; K88-L132 HydrophobicContact CB-CD1 4.28Å
89	Y	92.1	Very high	85.1	Confident	1 Å²	1	68.1 Å²	68.1	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.6	167	-71.5	-100	0	0	0	110.9	I73 I94 F104 G109 L111 T128 L145	I73-Y89 HydrophobicContact CD1-CE1 4.42Å; I73-Y89 HydrophobicContact CD1-CE2 3.88Å; I73-Y89 HydrophobicContact CG1-CE2 4.02Å; Y89-I94 HydrophobicContact CG-CD1 4.44Å; Y89-F104 HydrophobicContact CD2-CB 3.48Å; Y89-F104 VanDerWaalsContact CD2-CB 3.48Å; Y89-F104 HydrophobicContact CD2-CD1 4.31Å; Y89-F104 HydrophobicContact CD2-CD2 4.23Å; Y89-F104 AromaticContact CD2-CG 3.76Å; Y89-F104 HydrophobicContact CD2-CG 3.76Å; Y89-F104 HydrophobicContact CE2-CB 4.01Å; Y89-F104 HydrophobicContact CG-CB 4.35Å; Y89-F104 HydrophobicContact CG-CG 4.48Å; Y89-G109 PolarHBondContact OH-O 3.07Å; Y89-L111 HydrophobicContact CD1-CD1 4.44Å; Y89-L111 HydrophobicContact CD1-CD2 4.34Å; Y89-L111 HydrophobicContact CD2-CD1 4.26Å; Y89-L111 HydrophobicContact CE1-CB 4.43Å; Y89-L111 HydrophobicContact CE1-CD2 4.05Å; Y89-L111 HydrophobicContact CE2-CB 4.12Å; Y89-L111 HydrophobicContact CE2-CD1 4.42Å; Y89-L111 HydrophobicContact CG-CD1 4.24Å; Y89-T128 WeakPolarHBondContact CA-O 3.46Å; Y89-L145 HydrophobicContact CE1-CD2 3.86Å
90	T	92.5	Very high	85.9	Confident	24 Å²	24	62.7 Å²	62.7	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	163.6	170.1	66.1	0	0	0	0	110.7	K88 T95 L127 T128 Y130	K88-T90 HydrophobicContact CD-CG2 4.49Å; T90-T95 WeakPolarHBondContact CA-OG1 3.37Å; T90-T95 WeakPolarHBondContact CB-OG1 3.44Å; T90-T95 HydrophobicContact CG2-CG2 4.14Å; T90-L127 CarbonylContact O-C 3.58Å; T90-L127 VanDerWaalsContact O-CA 3.25Å; T90-L127 WeakPolarHBondContact O-CA 3.46Å; T90-L127 WeakPolarHBondContact O-CB 3.49Å; T90-T128 PolarHBondContact N-O 2.98Å; T90-T128 PolarHBondContact O-N 2.81Å; T90-Y130 HydrophobicContact CG2-CE2 4.05Å; T90-Y130 WeakPolarHBondContact OG1-CE2 3.2Å
91	G	92.4	Very high	87.2	Confident	5 Å²	5	57.2 Å²	57.2	5%	0.052	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.3	-175.8	179.1	0	0	0	0	0	113.2	G93 I94 T95 E96	G91-G93 PolarHBondContact O-N 2.69Å; G91-I94 PolarHBondContact O-N 2.79Å; G91-I94 VanDerWaalsContact O-N 3.15Å; G91-T95 PolarHBondContact N-OG1 3.17Å; G91-T95 PolarHBondContact O-N 2.98Å; G91-E96 PolarHBondContact O-N 2.69Å
92	K	92	Very high	88.4	Confident	67 Å²	67	49.3 Å²	49.3	29%	0.291	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	129.7	177.4	-165.9	175.4	-176.4	-179.6	0	110.9	E96 P97 F125	K92-E96 PolarHBondContact N-OE2 3.44Å; K92-P97 WeakPolarHBondContact CG-O 3.31Å; K92-F125 HydrophobicContact CB-CD1 4.04Å; K92-F125 HydrophobicContact CD-CD1 4.12Å; K92-F125 HydrophobicContact CD-CE1 4.32Å; K92-F125 HydrophobicContact CG-CD1 3.79Å; K92-F125 HydrophobicContact CG-CE1 4.04Å
93	G	89.8	Confident	89.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.9	-16.3	-176.9	0	0	0	0	0	115	G91 E96 P98 G100 I101 F102	G91-G93 PolarHBondContact O-N 2.69Å; G93-E96 PolarHBondContact N-O 2.82Å; G93-E96 VanDerWaalsContact N-O 3.07Å; G93-P98 WeakPolarHBondContact CA-O 3.47Å; G93-P98 PolarHBondContact N-O 3.33Å; G93-G100 PolarHBondContact O-N 3.04Å; G93-I101 PolarHBondContact O-N 3.14Å; G93-F102 PolarHBondContact O-N 2.94Å
94	I	91.8	Very high	90.5	Very high	32 Å²	32	48.5 Å²	48.5	16%	0.164	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-60.6	-176.7	-53.2	-179.2	0	0	0	112.3	Y89 G91 F102 F104 L111 L127	Y89-I94 HydrophobicContact CG-CD1 4.44Å; G91-I94 PolarHBondContact O-N 2.79Å; G91-I94 VanDerWaalsContact O-N 3.15Å; I94-F102 HydrophobicContact CD1-CB 4.03Å; I94-F102 HydrophobicContact CG1-CB 3.81Å; I94-F102 HydrophobicContact CG1-CD2 4.41Å; I94-F104 HydrophobicContact CD1-CD1 4.27Å; I94-F104 HydrophobicContact CG2-CD1 4.1Å; I94-F104 HydrophobicContact CG2-CE1 3.94Å; I94-L111 HydrophobicContact CD1-CD1 3.87Å; I94-L127 HydrophobicContact CD1-CD2 3.41Å; I94-L127 VanDerWaalsContact CD1-CD2 3.41Å; I94-L127 HydrophobicContact CG1-CD2 3.8Å
95	T	92	Very high	91.1	Very high	64 Å²	64	46.4 Å²	46.4	39%	0.393	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-7.3	-176.8	60.9	0	0	0	0	113.3	T90 G91	T90-T95 WeakPolarHBondContact CA-OG1 3.37Å; T90-T95 WeakPolarHBondContact CB-OG1 3.44Å; T90-T95 HydrophobicContact CG2-CG2 4.14Å; G91-T95 PolarHBondContact N-OG1 3.17Å; G91-T95 PolarHBondContact O-N 2.98Å
96	E	92.3	Very high	91.3	Very high	100 Å²	100	52.1 Å²	52.1	47%	0.467	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.2	178	-69.1	152.1	-151.2	0	0	108.9	G91 K92 G93	G91-E96 PolarHBondContact O-N 2.69Å; K92-E96 PolarHBondContact N-OE2 3.44Å; G93-E96 PolarHBondContact N-O 2.82Å; G93-E96 VanDerWaalsContact N-O 3.07Å
97	P	88.1	Confident	91.2	Very high	88 Å²	88	53.8 Å²	53.8	57%	0.571	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	149	-174.9	27.5	-34.8	0	0	0	113.1	K92 F99	K92-P97 WeakPolarHBondContact CG-O 3.31Å; P97-F99 HydrophobicContact CB-CD2 3.98Å; P97-F99 HydrophobicContact CB-CE2 3.65Å; P97-F99 HydrophobicContact CB-CZ 4.24Å; P97-F99 HydrophobicContact CG-CE2 4.28Å; P97-F99 HydrophobicContact CG-CZ 4.49Å
98	P	90.1	Very high	91	Very high	29 Å²	29	55.5 Å²	55.5	19%	0.188	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-67.1	152.3	-4.6	30.8	-37.1	0	0	0	111.9	G93 I101 E121 T122 F125	G93-P98 WeakPolarHBondContact CA-O 3.47Å; G93-P98 PolarHBondContact N-O 3.33Å; P98-I101 HydrophobicContact CB-CD1 4.1Å; P98-I101 HydrophobicContact CG-CD1 3.55Å; P98-E121 WeakPolarHBondContact CG-OE1 3.36Å; P98-T122 HydrophobicContact CG-CG2 4.16Å; P98-F125 HydrophobicContact CG-CE1 4.5Å
99	F	89.4	Confident	90.7	Very high	136 Å²	136	50.9 Å²	50.9	60%	0.596	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	155	-173.7	-63.6	-81.1	0	0	0	111.7	P97 I101	P97-F99 HydrophobicContact CB-CD2 3.98Å; P97-F99 HydrophobicContact CB-CE2 3.65Å; P97-F99 HydrophobicContact CB-CZ 4.24Å; P97-F99 HydrophobicContact CG-CE2 4.28Å; P97-F99 HydrophobicContact CG-CZ 4.49Å; F99-I101 VanDerWaalsContact C-N 3.34Å
100	G	88.6	Confident	90.6	Very high	48 Å²	48	53.2 Å²	53.2	50%	0.495	29%	0.288	S	S	.	.	S	Bend	trans	81.9	10.5	172.8	0	0	0	0	0	114.9	G93 T114	G93-G100 PolarHBondContact O-N 3.04Å; G100-T114 PolarHBondContact O-OG1 3.12Å
101	I	91.8	Very high	90.6	Very high	13 Å²	13	52 Å²	52	7%	0.067	28%	0.281	C	S	.	.	S	Bend	trans	-78.6	-40.3	175	-60.9	-174	0	0	0	110.4	G93 P98 F99 I113 T114 L117 F125	G93-I101 PolarHBondContact O-N 3.14Å; P98-I101 HydrophobicContact CB-CD1 4.1Å; P98-I101 HydrophobicContact CG-CD1 3.55Å; F99-I101 VanDerWaalsContact C-N 3.34Å; I101-I113 HydrophobicContact CG2-CD1 4.35Å; I101-I113 HydrophobicContact CG2-CG1 4.41Å; I101-I113 WeakPolarHBondContact O-CA 3.13Å; I101-I113 WeakPolarHBondContact O-CG1 3.38Å; I101-T114 PolarHBondContact O-N 3Å; I101-T114 PolarHBondContact O-OG1 3.07Å; I101-T114 VanDerWaalsContact O-OG1 3.06Å; I101-L117 HydrophobicContact CG2-CD2 3.61Å; I101-F125 HydrophobicContact CD1-CE1 3.79Å; I101-F125 HydrophobicContact CD1-CZ 3.65Å; I101-F125 HydrophobicContact CG2-CZ 4.2Å
102	F	93.1	Very high	90.5	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.4	177.1	-47	-75.6	0	0	0	112.9	L58 I70 G93 I94 L111 N112 I113 F125 L127 I147	L58-F102 HydrophobicContact CD1-CE1 4.43Å; I70-F102 HydrophobicContact CD1-CD1 3.64Å; I70-F102 HydrophobicContact CD1-CE1 3.6Å; G93-F102 PolarHBondContact O-N 2.94Å; I94-F102 HydrophobicContact CD1-CB 4.03Å; I94-F102 HydrophobicContact CG1-CB 3.81Å; I94-F102 HydrophobicContact CG1-CD2 4.41Å; F102-L111 HydrophobicContact CB-CD1 3.91Å; F102-N112 CarbonylContact C-O 3.56Å; F102-N112 VanDerWaalsContact CA-O 3.26Å; F102-N112 WeakPolarHBondContact CA-O 3.4Å; F102-I113 HydrophobicContact CD1-CB 3.93Å; F102-I113 HydrophobicContact CD1-CD1 4.48Å; F102-I113 HydrophobicContact CD1-CG1 4.11Å; F102-I113 HydrophobicContact CE1-CB 4.11Å; F102-I113 HydrophobicContact CE1-CD1 3.93Å; F102-I113 HydrophobicContact CE1-CG1 4.06Å; F102-F125 HydrophobicContact CE2-CB 3.98Å; F102-F125 AromaticContact CE2-CD1 3.72Å; F102-F125 HydrophobicContact CE2-CD1 3.72Å; F102-F125 AromaticContact CE2-CD2 3.92Å; F102-F125 HydrophobicContact CE2-CD2 3.92Å; F102-F125 HydrophobicContact CE2-CE1 4.16Å; F102-F125 HydrophobicContact CE2-CE2 4.34Å; F102-F125 AromaticContact CE2-CG 3.59Å; F102-F125 HydrophobicContact CE2-CG 3.59Å; F102-F125 HydrophobicContact CE2-CZ 4.44Å; F102-F125 HydrophobicContact CZ-CB 4.35Å; F102-F125 HydrophobicContact CZ-CD1 4.4Å; F102-F125 AromaticContact CZ-CD2 3.76Å; F102-F125 HydrophobicContact CZ-CD2 3.76Å; F102-F125 HydrophobicContact CZ-CE2 4.13Å; F102-F125 AromaticContact CZ-CG 3.92Å; F102-F125 HydrophobicContact CZ-CG 3.92Å; F102-L127 HydrophobicContact CD2-CD2 3.95Å; F102-L127 HydrophobicContact CE2-CD1 4.34Å; F102-L127 HydrophobicContact CE2-CD2 4.44Å; F102-I147 HydrophobicContact CD1-CD1 4.35Å; F102-I147 HydrophobicContact CE1-CD1 3.71Å; F102-I147 HydrophobicContact CE2-CD1 4.17Å; F102-I147 HydrophobicContact CZ-CD1 3.62Å
103	V	93.7	Very high	90.6	Very high	83 Å²	83	51.8 Å²	51.8	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.7	175.1	178.6	0	0	0	0	108.6	N112 T114	V103-N112 PolarHBondContact N-O 3.05Å; V103-N112 PolarHBondContact O-N 3.2Å; V103-T114 HydrophobicContact CB-CG2 4.35Å; V103-T114 HydrophobicContact CG2-CG2 3.8Å
104	F	93.8	Very high	90.6	Very high	61 Å²	61	55.9 Å²	55.9	27%	0.268	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.6	-179.4	68.3	-90.1	0	0	0	112.6	Y87 K88 Y89 I94 K106 E110 L111	Y87-F104 WeakPolarHBondContact O-CE2 3.38Å; K88-F104 HydrophobicContact CB-CE2 4.42Å; K88-F104 HydrophobicContact CB-CZ 4.48Å; K88-F104 HydrophobicContact CG-CZ 4.09Å; Y89-F104 HydrophobicContact CD2-CB 3.48Å; Y89-F104 VanDerWaalsContact CD2-CB 3.48Å; Y89-F104 HydrophobicContact CD2-CD1 4.31Å; Y89-F104 HydrophobicContact CD2-CD2 4.23Å; Y89-F104 AromaticContact CD2-CG 3.76Å; Y89-F104 HydrophobicContact CD2-CG 3.76Å; Y89-F104 HydrophobicContact CE2-CB 4.01Å; Y89-F104 HydrophobicContact CG-CB 4.35Å; Y89-F104 HydrophobicContact CG-CG 4.48Å; I94-F104 HydrophobicContact CD1-CD1 4.27Å; I94-F104 HydrophobicContact CG2-CD1 4.1Å; I94-F104 HydrophobicContact CG2-CE1 3.94Å; F104-K106 HydrophobicContact CE2-CB 4.42Å; F104-E110 CarbonylContact C-O 3.49Å; F104-E110 VanDerWaalsContact CA-O 3.27Å; F104-E110 WeakPolarHBondContact CA-O 3.35Å; F104-L111 HydrophobicContact CB-CD1 3.94Å
105	N	93.3	Very high	90.5	Very high	67 Å²	67	56.5 Å²	56.5	36%	0.358	31%	0.314	S	S	.	.			trans	-93.9	114	172.6	-176.9	-23	0	0	0	110.2	D107 T108 G109 E110	N105-D107 VanDerWaalsContact C-N 3.27Å; N105-D107 PolarHBondContact O-N 2.73Å; N105-D107 PolarHBondContact OD1-N 3.33Å; N105-T108 VanDerWaalsContact CB-OG1 3.24Å; N105-T108 WeakPolarHBondContact CB-OG1 3.25Å; N105-T108 PolarHBondContact ND2-OG1 2.98Å; N105-T108 VanDerWaalsContact ND2-OG1 3.13Å; N105-T108 PolarHBondContact OD1-N 3Å; N105-G109 PolarHBondContact O-N 2.95Å; N105-E110 HydrophobicContact CB-CB 4.42Å; N105-E110 PolarHBondContact N-O 2.85Å
106	K	90.3	Very high	90.4	Very high	126 Å²	126	58.2 Å²	58.2	55%	0.548	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.3	-177.1	75.9	-174.5	-175.3	-179.1	0	114.7	T86 Y87 F104	T86-K106 CarbonylContact C-O 3.57Å; T86-K106 WeakPolarHBondContact CA-O 3.23Å; Y87-K106 PolarHBondContact N-O 3.33Å; Y87-K106 WeakPolarHBondContact O-CA 3.41Å; F104-K106 HydrophobicContact CE2-CB 4.42Å
107	D	86.9	Confident	90.5	Very high	73 Å²	73	53.9 Å²	53.9	39%	0.39	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-28.2	-174.9	-67.5	-82.2	0	0	0	111.6	K84 N105	K84-D107 IonicContact NZ-OD1 2.8Å; K84-D107 PolarHBondContact NZ-OD1 3.42Å; K84-D107 VanDerWaalsContact NZ-OD1 3.1Å; N105-D107 VanDerWaalsContact C-N 3.27Å; N105-D107 PolarHBondContact O-N 2.73Å; N105-D107 PolarHBondContact OD1-N 3.33Å
108	T	86.1	Confident	90.7	Very high	47 Å²	47	53.2 Å²	53.2	29%	0.288	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-17.1	179.3	65.4	0	0	0	0	114.8	K72 N105 E110	K72-T108 WeakPolarHBondContact CE-O 3.49Å; N105-T108 VanDerWaalsContact CB-OG1 3.24Å; N105-T108 WeakPolarHBondContact CB-OG1 3.25Å; N105-T108 PolarHBondContact ND2-OG1 2.98Å; N105-T108 VanDerWaalsContact ND2-OG1 3.13Å; N105-T108 PolarHBondContact OD1-N 3Å; T108-E110 VanDerWaalsContact C-N 3.27Å; T108-E110 VanDerWaalsContact CB-OE2 3.23Å; T108-E110 WeakPolarHBondContact CB-OE2 3.34Å; T108-E110 PolarHBondContact O-N 2.82Å; T108-E110 VanDerWaalsContact OG1-CD 3.22Å; T108-E110 PolarHBondContact OG1-N 2.84Å; T108-E110 PolarHBondContact OG1-OE2 2.66Å
109	G	85.7	Confident	90.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.			trans	76.2	11.6	-176.7	0	0	0	0	0	114.6	K72 I73 Y87 Y89 N105	K72-G109 WeakPolarHBondContact CA-O 3.5Å; I73-G109 PolarHBondContact N-O 3.13Å; Y87-G109 VanDerWaalsContact CD2-CA 3.48Å; Y89-G109 PolarHBondContact OH-O 3.07Å; N105-G109 PolarHBondContact O-N 2.95Å
110	E	89.9	Confident	91.2	Very high	49 Å²	49	49.3 Å²	49.3	23%	0.229	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.3	178.7	-72.9	153.6	171.2	0	0	111.7	P69 K72 F104 N105 T108	P69-E110 HydrophobicContact CB-CB 3.9Å; P69-E110 HydrophobicContact CB-CG 4.01Å; P69-E110 HydrophobicContact CG-CB 4.5Å; P69-E110 HydrophobicContact CG-CG 4.07Å; K72-E110 HydrophobicContact CB-CG 4.3Å; K72-E110 HydrophobicContact CD-CG 3.59Å; K72-E110 WeakPolarHBondContact CE-OE1 3.5Å; K72-E110 HydrophobicContact CG-CG 3.82Å; K72-E110 IonicContact NZ-OE1 2.71Å; K72-E110 PolarHBondContact NZ-OE1 3.09Å; F104-E110 CarbonylContact C-O 3.49Å; F104-E110 VanDerWaalsContact CA-O 3.27Å; F104-E110 WeakPolarHBondContact CA-O 3.35Å; N105-E110 HydrophobicContact CB-CB 4.42Å; N105-E110 PolarHBondContact N-O 2.85Å; T108-E110 VanDerWaalsContact C-N 3.27Å; T108-E110 VanDerWaalsContact CB-OE2 3.23Å; T108-E110 WeakPolarHBondContact CB-OE2 3.34Å; T108-E110 PolarHBondContact O-N 2.82Å; T108-E110 VanDerWaalsContact OG1-CD 3.22Å; T108-E110 PolarHBondContact OG1-N 2.84Å; T108-E110 PolarHBondContact OG1-OE2 2.66Å
111	L	91.6	Very high	91.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.7	173.2	-176.4	68.8	0	0	0	108.9	P69 I70 A71 Y89 I94 F102 F104 L145 I147	P69-L111 CarbonylContact C-O 3.59Å; P69-L111 WeakPolarHBondContact CA-O 3.26Å; I70-L111 HydrophobicContact CD1-CD2 4.22Å; I70-L111 HydrophobicContact CD1-CG 4.33Å; I70-L111 HydrophobicContact CG1-CD2 4.49Å; I70-L111 HydrophobicContact CG1-CG 4.29Å; I70-L111 WeakPolarHBondContact CG1-O 3.47Å; I70-L111 PolarHBondContact N-O 2.83Å; A71-L111 HydrophobicContact CB-CB 4.2Å; A71-L111 HydrophobicContact CB-CD2 4.32Å; A71-L111 PolarHBondContact N-O 3.15Å; A71-L111 PolarHBondContact O-N 2.65Å; Y89-L111 HydrophobicContact CD1-CD1 4.44Å; Y89-L111 HydrophobicContact CD1-CD2 4.34Å; Y89-L111 HydrophobicContact CD2-CD1 4.26Å; Y89-L111 HydrophobicContact CE1-CB 4.43Å; Y89-L111 HydrophobicContact CE1-CD2 4.05Å; Y89-L111 HydrophobicContact CE2-CB 4.12Å; Y89-L111 HydrophobicContact CE2-CD1 4.42Å; Y89-L111 HydrophobicContact CG-CD1 4.24Å; I94-L111 HydrophobicContact CD1-CD1 3.87Å; F102-L111 HydrophobicContact CB-CD1 3.91Å; F104-L111 HydrophobicContact CB-CD1 3.94Å; L111-L145 HydrophobicContact CD2-CD2 3.64Å; L111-I147 HydrophobicContact CD2-CD1 4.24Å
112	N	91.4	Very high	91.3	Very high	60 Å²	60	52 Å²	52	32%	0.321	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	151	176.7	-71.2	21.8	0	0	0	110.5	N68 P69 F102 V103	N68-N112 HydrophobicContact CB-CB 4.4Å; N68-N112 WeakPolarHBondContact OD1-CA 3.18Å; N68-N112 WeakPolarHBondContact OD1-CB 3.4Å; P69-N112 WeakPolarHBondContact CA-OD1 3.29Å; P69-N112 WeakPolarHBondContact CB-OD1 3.45Å; F102-N112 CarbonylContact C-O 3.56Å; F102-N112 VanDerWaalsContact CA-O 3.26Å; F102-N112 WeakPolarHBondContact CA-O 3.4Å; V103-N112 PolarHBondContact N-O 3.05Å; V103-N112 PolarHBondContact O-N 3.2Å
113	I	92.4	Very high	91.2	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.4	165.5	-173.6	165.6	0	0	0	110.8	L58 L64 N68 I70 I101 F102 S115 L117	L58-I113 HydrophobicContact CD1-CD1 4.14Å; L64-I113 HydrophobicContact CB-CG2 3.65Å; L64-I113 HydrophobicContact CD1-CD1 3.63Å; L64-I113 HydrophobicContact CD1-CG2 4.5Å; N68-I113 PolarHBondContact ND2-O 2.94Å; N68-I113 PolarHBondContact OD1-N 3.49Å; I70-I113 HydrophobicContact CD1-CB 4.2Å; I70-I113 HydrophobicContact CG2-CB 4.48Å; I70-I113 HydrophobicContact CG2-CG2 3.8Å; I101-I113 HydrophobicContact CG2-CD1 4.35Å; I101-I113 HydrophobicContact CG2-CG1 4.41Å; I101-I113 WeakPolarHBondContact O-CA 3.13Å; I101-I113 WeakPolarHBondContact O-CG1 3.38Å; F102-I113 HydrophobicContact CD1-CB 3.93Å; F102-I113 HydrophobicContact CD1-CD1 4.48Å; F102-I113 HydrophobicContact CD1-CG1 4.11Å; F102-I113 HydrophobicContact CE1-CB 4.11Å; F102-I113 HydrophobicContact CE1-CD1 3.93Å; F102-I113 HydrophobicContact CE1-CG1 4.06Å; I113-S115 WeakPolarHBondContact CD1-O 3.27Å; I113-S115 WeakPolarHBondContact CG1-O 3.44Å; I113-L117 HydrophobicContact CD1-CD1 3.69Å; I113-L117 HydrophobicContact CD1-CD2 3.58Å; I113-L117 HydrophobicContact CD1-CG 3.48Å; I113-L117 VanDerWaalsContact CD1-CG 3.48Å
114	T	90.6	Very high	91.2	Very high	87 Å²	87	55 Å²	55	53%	0.534	28%	0.283	S	S	.	.			trans	-120.2	-11	-174.8	35	0	0	0	0	115	G100 I101 V103	G100-T114 PolarHBondContact O-OG1 3.12Å; I101-T114 PolarHBondContact O-N 3Å; I101-T114 PolarHBondContact O-OG1 3.07Å; I101-T114 VanDerWaalsContact O-OG1 3.06Å; V103-T114 HydrophobicContact CB-CG2 4.35Å; V103-T114 HydrophobicContact CG2-CG2 3.8Å
115	S	88.8	Confident	91.1	Very high	45 Å²	45	52.1 Å²	52.1	32%	0.315	27%	0.271	S	S	.	.	S	Bend	trans	-120.7	166	174	68.5	0	0	0	0	111.8	I113	I113-S115 WeakPolarHBondContact CD1-O 3.27Å; I113-S115 WeakPolarHBondContact CG1-O 3.44Å
116	I	91.6	Very high	91	Very high	100 Å²	100	53 Å²	53	51%	0.513	28%	0.275	S	S	.	.			trans	-67.8	154.2	157.1	-61.1	175.5	0	0	0	107.4
117	L	93.1	Very high	91	Very high	9 Å²	9	47 Å²	47	5%	0.047	25%	0.249	C	C	.	.			trans	-103.1	161.5	175.5	-64	179.2	0	0	0	111.3	L58 E60 G61 L64 I101 I113 F125 V149	L58-L117 HydrophobicContact CB-CD1 3.82Å; L58-L117 HydrophobicContact CD1-CD1 3.95Å; E60-L117 WeakPolarHBondContact CA-O 3.37Å; E60-L117 HydrophobicContact CB-CB 4.43Å; E60-L117 VanDerWaalsContact CB-O 3.24Å; E60-L117 WeakPolarHBondContact CB-O 3.36Å; G61-L117 PolarHBondContact N-O 2.77Å; G61-L117 VanDerWaalsContact N-O 3.1Å; L64-L117 HydrophobicContact CD1-CD1 3.88Å; L64-L117 HydrophobicContact CD1-CG 3.96Å; I101-L117 HydrophobicContact CG2-CD2 3.61Å; I113-L117 HydrophobicContact CD1-CD1 3.69Å; I113-L117 HydrophobicContact CD1-CD2 3.58Å; I113-L117 HydrophobicContact CD1-CG 3.48Å; I113-L117 VanDerWaalsContact CD1-CG 3.48Å; L117-F125 HydrophobicContact CD2-CE2 3.9Å; L117-F125 HydrophobicContact CD2-CZ 4.2Å; L117-V149 HydrophobicContact CB-CG1 4.15Å; L117-V149 HydrophobicContact CD1-CG1 4.47Å; L117-V149 HydrophobicContact CD1-CG2 3.93Å
118	D	93.4	Very high	91.2	Very high	74 Å²	74	45.1 Å²	45.1	40%	0.396	24%	0.24	S	C	.	.			trans	-144.7	122.2	-178.7	172.9	-43.5	0	0	0	106	E120 E121 T122	D118-E120 WeakPolarHBondContact OD1-CB 3.3Å; D118-E120 PolarHBondContact OD1-N 2.85Å; D118-E120 VanDerWaalsContact OD1-N 3.08Å; D118-E121 HydrophobicContact CB-CB 4.41Å; D118-E121 PolarHBondContact OD1-N 3.22Å; D118-T122 PolarHBondContact O-N 3.11Å; D118-T122 PolarHBondContact O-OG1 3.27Å
119	R	93.9	Very high	91.5	Very high	18 Å²	18	43 Å²	43	7%	0.068	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-28.3	-175	-164.1	-151.7	96.5	-93.7	-19.4	111.4	E60 T122 P123 V149 D151 A186	E60-R119 WeakPolarHBondContact OE1-CB 3.46Å; E60-R119 WeakPolarHBondContact OE2-CA 3.41Å; E60-R119 WeakPolarHBondContact OE2-CB 3.37Å; E60-R119 PolarHBondContact OE2-N 3.49Å; R119-T122 CarbonylContact O-C 3.31Å; R119-T122 PolarHBondContact O-N 3.28Å; R119-P123 HydrophobicContact CG-CB 4.03Å; R119-P123 VanDerWaalsContact O-CD 3.25Å; R119-P123 WeakPolarHBondContact O-CD 3.41Å; R119-P123 VanDerWaalsContact O-N 3.13Å; R119-V149 HydrophobicContact CB-CB 4.36Å; R119-V149 HydrophobicContact CB-CG1 3.89Å; R119-V149 HydrophobicContact CG-CB 4.19Å; R119-V149 HydrophobicContact CG-CG1 4.21Å; R119-D151 WeakPolarHBondContact CD-OD1 3.31Å; R119-D151 IonicContact CZ-OD1 2.75Å; R119-D151 IonicContact NE-OD1 3.24Å; R119-D151 IonicContact NH1-OD1 3.63Å; R119-D151 PolarHBondContact NH1-OD1 3.06Å; R119-A186 PolarHBondContact NH2-O 2.88Å
120	E	94.4	Very high	91.7	Very high	64 Å²	64	46 Å²	46	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-44.5	175.6	-66.4	11.4	-78.2	0	0	110.2	D118 A186	D118-E120 WeakPolarHBondContact OD1-CB 3.3Å; D118-E120 PolarHBondContact OD1-N 2.85Å; D118-E120 VanDerWaalsContact OD1-N 3.08Å; E120-A186 HydrophobicContact CG-CB 4.11Å
121	E	91.5	Very high	91.6	Very high	116 Å²	116	44 Å²	44	54%	0.542	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-43	170.2	-157.3	-152.5	142.4	0	0	111.1	P98 D118	P98-E121 WeakPolarHBondContact CG-OE1 3.36Å; D118-E121 HydrophobicContact CB-CB 4.41Å; D118-E121 PolarHBondContact OD1-N 3.22Å
122	T	91.6	Very high	91.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	24%	0.238	C	C	.	.			trans	-147	84.7	-166.1	59.2	0	0	0	0	115.8	P98 D118 R119 F124 F125 V149	P98-T122 HydrophobicContact CG-CG2 4.16Å; D118-T122 PolarHBondContact O-N 3.11Å; D118-T122 PolarHBondContact O-OG1 3.27Å; R119-T122 CarbonylContact O-C 3.31Å; R119-T122 PolarHBondContact O-N 3.28Å; T122-F124 VanDerWaalsContact C-N 3.3Å; T122-F124 PolarHBondContact O-N 2.92Å; T122-F125 VanDerWaalsContact CB-CZ 3.45Å; T122-F125 HydrophobicContact CG2-CE1 4Å; T122-F125 HydrophobicContact CG2-CZ 3.71Å; T122-F125 WeakPolarHBondContact OG1-CE2 3.36Å; T122-F125 WeakPolarHBondContact OG1-CZ 3.04Å; T122-V149 WeakPolarHBondContact O-CG2 3.33Å
123	P	92.2	Very high	91.3	Very high	61 Å²	61	44.4 Å²	44.4	40%	0.396	23%	0.233	S	C	.	.	S	Bend	trans	-70.6	-21.7	-176.2	26.9	-35.1	0	0	0	114.5	R119 V149	R119-P123 HydrophobicContact CG-CB 4.03Å; R119-P123 VanDerWaalsContact O-CD 3.25Å; R119-P123 WeakPolarHBondContact O-CD 3.41Å; R119-P123 VanDerWaalsContact O-N 3.13Å; P123-V149 PolarHBondContact O-N 2.87Å
124	F	91.8	Very high	90.8	Very high	90 Å²	90	51.3 Å²	51.3	40%	0.395	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156	167.9	64.8	-86.4	0	0	0	111.8	T122 R146 I147	T122-F124 VanDerWaalsContact C-N 3.3Å; T122-F124 PolarHBondContact O-N 2.92Å; F124-R146 HydrophobicContact CD2-CG 4.42Å; F124-I147 CarbonylContact C-O 3.54Å; F124-I147 VanDerWaalsContact CA-O 3.23Å; F124-I147 WeakPolarHBondContact CA-O 3.41Å; F124-I147 VanDerWaalsContact CB-O 3.27Å; F124-I147 WeakPolarHBondContact CB-O 3.22Å
125	F	91.8	Very high	90.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.4	168.2	-59.4	-94.2	0	0	0	109.3	K92 P98 I101 F102 L117 T122 L127 R146 I147 V149	K92-F125 HydrophobicContact CB-CD1 4.04Å; K92-F125 HydrophobicContact CD-CD1 4.12Å; K92-F125 HydrophobicContact CD-CE1 4.32Å; K92-F125 HydrophobicContact CG-CD1 3.79Å; K92-F125 HydrophobicContact CG-CE1 4.04Å; P98-F125 HydrophobicContact CG-CE1 4.5Å; I101-F125 HydrophobicContact CD1-CE1 3.79Å; I101-F125 HydrophobicContact CD1-CZ 3.65Å; I101-F125 HydrophobicContact CG2-CZ 4.2Å; F102-F125 HydrophobicContact CE2-CB 3.98Å; F102-F125 AromaticContact CE2-CD1 3.72Å; F102-F125 HydrophobicContact CE2-CD1 3.72Å; F102-F125 AromaticContact CE2-CD2 3.92Å; F102-F125 HydrophobicContact CE2-CD2 3.92Å; F102-F125 HydrophobicContact CE2-CE1 4.16Å; F102-F125 HydrophobicContact CE2-CE2 4.34Å; F102-F125 AromaticContact CE2-CG 3.59Å; F102-F125 HydrophobicContact CE2-CG 3.59Å; F102-F125 HydrophobicContact CE2-CZ 4.44Å; F102-F125 HydrophobicContact CZ-CB 4.35Å; F102-F125 HydrophobicContact CZ-CD1 4.4Å; F102-F125 AromaticContact CZ-CD2 3.76Å; F102-F125 HydrophobicContact CZ-CD2 3.76Å; F102-F125 HydrophobicContact CZ-CE2 4.13Å; F102-F125 AromaticContact CZ-CG 3.92Å; F102-F125 HydrophobicContact CZ-CG 3.92Å; L117-F125 HydrophobicContact CD2-CE2 3.9Å; L117-F125 HydrophobicContact CD2-CZ 4.2Å; T122-F125 VanDerWaalsContact CB-CZ 3.45Å; T122-F125 HydrophobicContact CG2-CE1 4Å; T122-F125 HydrophobicContact CG2-CZ 3.71Å; T122-F125 WeakPolarHBondContact OG1-CE2 3.36Å; T122-F125 WeakPolarHBondContact OG1-CZ 3.04Å; F125-L127 HydrophobicContact CB-CD1 3.71Å; F125-R146 WeakPolarHBondContact O-CA 3.19Å; F125-I147 HydrophobicContact CB-CB 4.35Å; F125-I147 PolarHBondContact N-O 2.9Å; F125-I147 PolarHBondContact O-N 2.63Å; F125-V149 HydrophobicContact CD2-CG2 4.27Å; F125-V149 HydrophobicContact CE2-CG2 3.98Å
126	L	91.6	Very high	90	Very high	86 Å²	86	58.1 Å²	58.1	45%	0.45	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.1	170.9	-175.3	64.6	0	0	0	107.4	R146	L126-R146 HydrophobicContact CD1-CB 4.19Å
127	L	91	Very high	89.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.1	-179	-55.1	99.9	0	0	0	110	T90 I94 F102 F125 L145 I147	T90-L127 CarbonylContact O-C 3.58Å; T90-L127 VanDerWaalsContact O-CA 3.25Å; T90-L127 WeakPolarHBondContact O-CA 3.46Å; T90-L127 WeakPolarHBondContact O-CB 3.49Å; I94-L127 HydrophobicContact CD1-CD2 3.41Å; I94-L127 VanDerWaalsContact CD1-CD2 3.41Å; I94-L127 HydrophobicContact CG1-CD2 3.8Å; F102-L127 HydrophobicContact CD2-CD2 3.95Å; F102-L127 HydrophobicContact CE2-CD1 4.34Å; F102-L127 HydrophobicContact CE2-CD2 4.44Å; F125-L127 HydrophobicContact CB-CD1 3.71Å; L127-L145 PolarHBondContact N-O 3.02Å; L127-L145 PolarHBondContact O-N 2.75Å; L127-I147 HydrophobicContact CD1-CD1 3.6Å; L127-I147 HydrophobicContact CD1-CG1 3.96Å
128	T	91.8	Very high	89.5	Confident	34 Å²	34	61.6 Å²	61.6	21%	0.209	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.4	175.2	-51.9	0	0	0	0	109.5	Y89 T90 Y130 P142 L143	Y89-T128 WeakPolarHBondContact CA-O 3.46Å; T90-T128 PolarHBondContact N-O 2.98Å; T90-T128 PolarHBondContact O-N 2.81Å; T128-Y130 HydrophobicContact CG2-CD2 4.28Å; T128-Y130 HydrophobicContact CG2-CE1 4.33Å; T128-Y130 HydrophobicContact CG2-CE2 3.55Å; T128-Y130 WeakPolarHBondContact O-CD2 3.5Å; T128-Y130 WeakPolarHBondContact O-CE2 3.36Å; T128-P142 HydrophobicContact CG2-CB 3.63Å; T128-L143 WeakPolarHBondContact CA-O 3.39Å
129	G	90.8	Very high	89.2	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.6	173.2	0	0	0	0	0	111.6	K88 P142 L143	K88-G129 CarbonylContact O-C 3.52Å; G129-P142 CarbonylContact O-C 3.52Å; G129-P142 WeakPolarHBondContact O-CA 3.2Å; G129-L143 PolarHBondContact N-O 3.17Å; G129-L143 PolarHBondContact O-N 2.79Å
130	Y	90.3	Very high	88.7	Confident	62 Å²	62	61.7 Å²	61.7	24%	0.243	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.8	179.3	-60.6	-99.6	0	0	0	109.9	Y87 K88 T90 T128 N138 P142	Y87-Y130 WeakPolarHBondContact CA-O 3.32Å; K88-Y130 PolarHBondContact N-O 2.97Å; K88-Y130 PolarHBondContact O-N 3.02Å; T90-Y130 HydrophobicContact CG2-CE2 4.05Å; T90-Y130 WeakPolarHBondContact OG1-CE2 3.2Å; T128-Y130 HydrophobicContact CG2-CD2 4.28Å; T128-Y130 HydrophobicContact CG2-CE1 4.33Å; T128-Y130 HydrophobicContact CG2-CE2 3.55Å; T128-Y130 WeakPolarHBondContact O-CD2 3.5Å; T128-Y130 WeakPolarHBondContact O-CE2 3.36Å; Y130-N138 WeakPolarHBondContact CD1-OD1 3.22Å; Y130-P142 HydrophobicContact CD1-CB 3.89Å; Y130-P142 HydrophobicContact CD1-CG 3.72Å; Y130-P142 HydrophobicContact CE1-CB 3.68Å; Y130-P142 HydrophobicContact CE1-CG 3.53Å
131	A	89.1	Confident	88.4	Confident	7 Å²	7	67.4 Å²	67.4	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.1	168.5	0	0	0	0	0	108.3	V85 Y87 N138 V139 E140	V85-A131 HydrophobicContact CG1-CB 3.79Å; Y87-A131 HydrophobicContact CD1-CB 4.06Å; Y87-A131 HydrophobicContact CE1-CB 3.93Å; A131-N138 WeakPolarHBondContact O-CA 3.41Å; A131-V139 HydrophobicContact CB-CG2 3.89Å; A131-V139 WeakPolarHBondContact O-CG2 3.11Å; A131-V139 PolarHBondContact O-N 2.85Å; A131-E140 HydrophobicContact CB-CB 4.03Å; A131-E140 HydrophobicContact CB-CG 3.8Å
132	L	89.6	Confident	88.2	Confident	29 Å²	29	64.9 Å²	64.9	15%	0.152	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.6	-168.3	-55.3	176.3	0	0	0	111.4	V85 T86 K88 N137 N138	V85-L132 WeakPolarHBondContact CA-O 3.14Å; T86-L132 PolarHBondContact N-O 3.02Å; T86-L132 PolarHBondContact O-N 3.22Å; K88-L132 HydrophobicContact CB-CD1 4.28Å; L132-N137 CarbonylContact C-O 3.54Å; L132-N137 VanDerWaalsContact CA-O 3.26Å; L132-N137 WeakPolarHBondContact CA-O 3.12Å; L132-N138 WeakPolarHBondContact CD2-OD1 3.35Å
133	D	86.6	Confident	88	Confident	41 Å²	41	67.7 Å²	67.7	22%	0.219	34%	0.344	C	S	.	.			trans	-74.6	172.6	166	73.7	3.2	0	0	0	111.8	R135 G136 N137 V139	D133-R135 PolarHBondContact O-N 2.95Å; D133-R135 VanDerWaalsContact OD1-C 3.22Å; D133-R135 VanDerWaalsContact OD1-CA 3.26Å; D133-R135 WeakPolarHBondContact OD1-CA 3.4Å; D133-R135 WeakPolarHBondContact OD1-CB 3.37Å; D133-R135 PolarHBondContact OD1-N 2.78Å; D133-G136 PolarHBondContact O-N 3.31Å; D133-G136 PolarHBondContact OD1-N 2.78Å; D133-N137 PolarHBondContact N-O 2.85Å; D133-N137 PolarHBondContact OD1-N 2.68Å; D133-N137 PolarHBondContact OD1-ND2 2.95Å; D133-N137 PolarHBondContact OD2-ND2 3.1Å; D133-V139 HydrophobicContact CB-CG1 3.81Å
134	E	81.3	Confident	87.7	Confident	151 Å²	151	71.4 Å²	71.4	71%	0.706	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-4.7	175.8	-59.7	-169.7	139.1	0	0	114.3	K84	K84-E134 HydrophobicContact CB-CG 4.25Å
135	R	82.4	Confident	87.5	Confident	224 Å²	224	67.4 Å²	67.4	85%	0.845	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	0.3	177.1	-56.3	175.1	-178.8	-169.6	-0.3	112.2	D133 N137	D133-R135 PolarHBondContact O-N 2.95Å; D133-R135 VanDerWaalsContact OD1-C 3.22Å; D133-R135 VanDerWaalsContact OD1-CA 3.26Å; D133-R135 WeakPolarHBondContact OD1-CA 3.4Å; D133-R135 WeakPolarHBondContact OD1-CB 3.37Å; D133-R135 PolarHBondContact OD1-N 2.78Å; R135-N137 WeakPolarHBondContact CB-ND2 3.15Å
136	G	81	Confident	87.4	Confident	51 Å²	51	73.4 Å²	73.4	53%	0.526	36%	0.361	S	S	.	.	S	Bend	trans	84.9	10.2	179.6	0	0	0	0	0	115.6	D133	D133-G136 PolarHBondContact O-N 3.31Å; D133-G136 PolarHBondContact OD1-N 2.78Å
137	N	86.4	Confident	87.4	Confident	90 Å²	90	69.3 Å²	69.3	48%	0.481	34%	0.34	S	S	.	.			trans	-85.4	140.5	177.7	-52	-71.6	0	0	0	111.3	L132 D133 R135 V139	L132-N137 CarbonylContact C-O 3.54Å; L132-N137 VanDerWaalsContact CA-O 3.26Å; L132-N137 WeakPolarHBondContact CA-O 3.12Å; D133-N137 PolarHBondContact N-O 2.85Å; D133-N137 PolarHBondContact OD1-N 2.68Å; D133-N137 PolarHBondContact OD1-ND2 2.95Å; D133-N137 PolarHBondContact OD2-ND2 3.1Å; R135-N137 WeakPolarHBondContact CB-ND2 3.15Å; N137-V139 PolarHBondContact O-N 2.77Å
138	N	87	Confident	87.4	Confident	91 Å²	91	72.4 Å²	72.4	49%	0.487	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-62.4	116.9	172.6	-68.5	-46.4	0	0	0	111.4	Y130 A131 L132	Y130-N138 WeakPolarHBondContact CD1-OD1 3.22Å; A131-N138 WeakPolarHBondContact O-CA 3.41Å; L132-N138 WeakPolarHBondContact CD2-OD1 3.35Å
139	V	86.3	Confident	87.5	Confident	48 Å²	48	70.8 Å²	70.8	29%	0.291	34%	0.343	S	S	.	.	S	Bend	trans	-90.9	-24.3	173.7	-64.2	0	0	0	0	112.9	L77 V85 A131 D133 N137	L77-V139 HydrophobicContact CD1-CB 4Å; L77-V139 HydrophobicContact CD1-CG2 4.41Å; L77-V139 WeakPolarHBondContact CD1-O 3.16Å; V85-V139 HydrophobicContact CG1-CG2 4Å; V85-V139 HydrophobicContact CG2-CG2 4.12Å; A131-V139 HydrophobicContact CB-CG2 3.89Å; A131-V139 WeakPolarHBondContact O-CG2 3.11Å; A131-V139 PolarHBondContact O-N 2.85Å; D133-V139 HydrophobicContact CB-CG1 3.81Å; N137-V139 PolarHBondContact O-N 2.77Å
140	E	85.5	Confident	87.6	Confident	47 Å²	47	73.6 Å²	73.6	22%	0.22	36%	0.357	C	S	.	.	S	Bend	trans	-111.1	168.7	169	-65.3	-73.9	177.2	0	0	109.9	K48 S75 A131	K48-E140 IonicContact NZ-OE1 3.43Å; K48-E140 PolarHBondContact NZ-OE1 3.35Å; K48-E140 IonicContact NZ-OE2 2.73Å; K48-E140 PolarHBondContact NZ-OE2 2.95Å; S75-E140 VanDerWaalsContact CB-OE1 3.31Å; S75-E140 WeakPolarHBondContact CB-OE1 3.41Å; S75-E140 PolarHBondContact OG-OE1 2.95Å; A131-E140 HydrophobicContact CB-CB 4.03Å; A131-E140 HydrophobicContact CB-CG 3.8Å
141	K	86.2	Confident	87.8	Confident	184 Å²	184	71.4 Å²	71.4	80%	0.8	35%	0.35	S	S	*	.			trans	-69.7	141.8	159.4	-70	-171.2	175.4	-171.4	0	109.1
142	P	88.4	Confident	88	Confident	62 Å²	62	73 Å²	73	40%	0.403	36%	0.357	S	S	.	.			trans	-55.3	141.2	171	-23.1	33.6	0	0	0	111.1	T128 G129 Y130	T128-P142 HydrophobicContact CG2-CB 3.63Å; G129-P142 CarbonylContact O-C 3.52Å; G129-P142 WeakPolarHBondContact O-CA 3.2Å; Y130-P142 HydrophobicContact CD1-CB 3.89Å; Y130-P142 HydrophobicContact CD1-CG 3.72Å; Y130-P142 HydrophobicContact CE1-CB 3.68Å; Y130-P142 HydrophobicContact CE1-CG 3.53Å
143	L	86.1	Confident	88	Confident	61 Å²	61	74.1 Å²	74.1	32%	0.319	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.9	-174.9	-174.2	69.7	0	0	0	110.2	T53 I73 T128 G129	T53-L143 HydrophobicContact CG2-CD2 4.24Å; T53-L143 WeakPolarHBondContact OG1-CD1 3.29Å; T53-L143 WeakPolarHBondContact OG1-CG 3.47Å; I73-L143 HydrophobicContact CG2-CD2 3.9Å; T128-L143 WeakPolarHBondContact CA-O 3.39Å; G129-L143 PolarHBondContact N-O 3.17Å; G129-L143 PolarHBondContact O-N 2.79Å
144	E	87.8	Confident	88.2	Confident	139 Å²	139	76.9 Å²	76.9	65%	0.65	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	128.6	171.2	-69.6	174.7	-163.6	0	0	110.3	T53	T53-E144 PolarHBondContact OG1-O 2.94Å
145	L	87.4	Confident	88.6	Confident	6 Å²	6	72.2 Å²	72.2	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	106.2	175.7	179.8	69.1	0	0	0	108	T53 V56 A71 Y89 L111 L127 I147	T53-L145 HydrophobicContact CG2-CD1 3.98Å; V56-L145 HydrophobicContact CG2-CD1 4.22Å; A71-L145 HydrophobicContact CB-CD1 4.3Å; A71-L145 HydrophobicContact CB-CD2 3.67Å; Y89-L145 HydrophobicContact CE1-CD2 3.86Å; L111-L145 HydrophobicContact CD2-CD2 3.64Å; L127-L145 PolarHBondContact N-O 3.02Å; L127-L145 PolarHBondContact O-N 2.75Å; L145-I147 HydrophobicContact CG-CG1 4.43Å
146	R	89.2	Confident	89	Confident	127 Å²	127	65 Å²	65	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.7	170.9	-167.2	178.2	-173.4	-169.1	2.3	109.7	P55 V56 F124 F125 L126	P55-R146 VanDerWaalsContact CA-O 3.25Å; P55-R146 WeakPolarHBondContact CA-O 3.25Å; P55-R146 HydrophobicContact CB-CB 4.49Å; P55-R146 WeakPolarHBondContact CB-O 3.36Å; V56-R146 PolarHBondContact N-O 2.94Å; V56-R146 VanDerWaalsContact N-O 3.17Å; F124-R146 HydrophobicContact CD2-CG 4.42Å; F125-R146 WeakPolarHBondContact O-CA 3.19Å; L126-R146 HydrophobicContact CD1-CB 4.19Å
147	I	90.9	Very high	89.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.5	170.4	-54.7	176.4	0	0	0	106.6	V56 L58 I70 F102 L111 F124 F125 L127 L145	V56-I147 HydrophobicContact CB-CG1 4.41Å; V56-I147 CarbonylContact O-C 3.59Å; V56-I147 VanDerWaalsContact O-CA 3.26Å; V56-I147 WeakPolarHBondContact O-CA 3.21Å; L58-I147 HydrophobicContact CD1-CG2 3.73Å; L58-I147 HydrophobicContact CG-CG2 3.99Å; I70-I147 HydrophobicContact CD1-CD1 3.86Å; F102-I147 HydrophobicContact CD1-CD1 4.35Å; F102-I147 HydrophobicContact CE1-CD1 3.71Å; F102-I147 HydrophobicContact CE2-CD1 4.17Å; F102-I147 HydrophobicContact CZ-CD1 3.62Å; L111-I147 HydrophobicContact CD2-CD1 4.24Å; F124-I147 CarbonylContact C-O 3.54Å; F124-I147 VanDerWaalsContact CA-O 3.23Å; F124-I147 WeakPolarHBondContact CA-O 3.41Å; F124-I147 VanDerWaalsContact CB-O 3.27Å; F124-I147 WeakPolarHBondContact CB-O 3.22Å; F125-I147 HydrophobicContact CB-CB 4.35Å; F125-I147 PolarHBondContact N-O 2.9Å; F125-I147 PolarHBondContact O-N 2.63Å; L127-I147 HydrophobicContact CD1-CD1 3.6Å; L127-I147 HydrophobicContact CD1-CG1 3.96Å; L145-I147 HydrophobicContact CG-CG1 4.43Å
148	K	91.8	Very high	90	Very high	64 Å²	64	61.1 Å²	61.1	28%	0.278	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.2	169.7	174.3	170.5	177.5	-175.8	0	109	V56 A57 L58 L150 E188	V56-K148 PolarHBondContact O-N 2.82Å; A57-K148 WeakPolarHBondContact CA-O 3.19Å; L58-K148 PolarHBondContact N-O 2.92Å; K148-L150 HydrophobicContact CD-CD2 4.23Å; K148-L150 HydrophobicContact CG-CD2 4.36Å; K148-E188 IonicContact NZ-OE1 3.89Å; K148-E188 PolarHBondContact NZ-OE1 2.81Å; K148-E188 IonicContact NZ-OE2 2.75Å; K148-E188 PolarHBondContact NZ-OE2 3.33Å
149	V	93.4	Very high	90.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.6	165.5	-171.1	0	0	0	0	108.9	L58 E60 L117 R119 T122 P123 F125	L58-V149 CarbonylContact O-C 3.55Å; L58-V149 VanDerWaalsContact O-CA 3.31Å; L58-V149 WeakPolarHBondContact O-CA 3.43Å; E60-V149 HydrophobicContact CB-CG1 3.91Å; L117-V149 HydrophobicContact CB-CG1 4.15Å; L117-V149 HydrophobicContact CD1-CG1 4.47Å; L117-V149 HydrophobicContact CD1-CG2 3.93Å; R119-V149 HydrophobicContact CB-CB 4.36Å; R119-V149 HydrophobicContact CB-CG1 3.89Å; R119-V149 HydrophobicContact CG-CB 4.19Å; R119-V149 HydrophobicContact CG-CG1 4.21Å; T122-V149 WeakPolarHBondContact O-CG2 3.33Å; P123-V149 PolarHBondContact O-N 2.87Å; F125-V149 HydrophobicContact CD2-CG2 4.27Å; F125-V149 HydrophobicContact CE2-CG2 3.98Å
150	L	93.3	Very high	90.9	Very high	61 Å²	61	58.9 Å²	58.9	32%	0.319	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.6	-177	-65.4	-176.8	0	0	0	111.1	A57 L58 R59 E60 K148	A57-L150 HydrophobicContact CB-CD1 3.83Å; A57-L150 HydrophobicContact CB-CD2 4.14Å; A57-L150 HydrophobicContact CB-CG 3.95Å; L58-L150 PolarHBondContact O-N 2.96Å; R59-L150 HydrophobicContact CB-CB 4.32Å; R59-L150 WeakPolarHBondContact CG-O 3.17Å; E60-L150 PolarHBondContact N-O 2.97Å; K148-L150 HydrophobicContact CD-CD2 4.23Å; K148-L150 HydrophobicContact CG-CD2 4.36Å
151	D	93.9	Very high	91.4	Very high	17 Å²	17	61.6 Å²	61.6	9%	0.091	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-53.9	138.9	-175.7	-157.6	47.4	0	0	0	115.5	R59 E60 R119 E188 N193	R59-D151 PolarHBondContact NH1-O 2.86Å; E60-D151 WeakPolarHBondContact OE1-CA 3.42Å; R119-D151 WeakPolarHBondContact CD-OD1 3.31Å; R119-D151 IonicContact CZ-OD1 2.75Å; R119-D151 IonicContact NE-OD1 3.24Å; R119-D151 IonicContact NH1-OD1 3.63Å; R119-D151 PolarHBondContact NH1-OD1 3.06Å; D151-E188 HydrophobicContact CB-CB 3.8Å; D151-E188 WeakPolarHBondContact OD1-CB 3.44Å; D151-E188 PolarHBondContact OD1-N 3.47Å; D151-E188 WeakPolarHBondContact OD2-CB 3.37Å; D151-E188 PolarHBondContact OD2-N 3.07Å; D151-N193 PolarHBondContact OD2-ND2 3.07Å
152	I	92.5	Very high	91.8	Very high	41 Å²	41	59.6 Å²	59.6	21%	0.21	30%	0.302	C	S	.	.			trans	-124.3	163.1	157.7	68	-176.4	0	0	0	109.9	R59 E60 D154	R59-I152 HydrophobicContact CG-CG2 3.72Å; R59-I152 VanDerWaalsContact NH1-CG2 3.35Å; E60-I152 HydrophobicContact CG-CB 4.38Å; E60-I152 HydrophobicContact CG-CD1 3.74Å; E60-I152 HydrophobicContact CG-CG1 3.59Å; E60-I152 HydrophobicContact CG-CG2 4.24Å; E60-I152 PolarHBondContact OE1-N 2.96Å; I152-D154 HydrophobicContact CD1-CB 4.15Å; I152-D154 HydrophobicContact CG1-CB 4.18Å
153	N	90.5	Very high	92.2	Very high	51 Å²	51	59.4 Å²	59.4	27%	0.273	30%	0.3	S	S	.	.			trans	-89.8	102.8	166.1	173.7	-102.6	0	0	0	109	N155 D187 N193 D243	N153-N155 PolarHBondContact ND2-O 3.15Å; N153-D187 VanDerWaalsContact CA-OD2 3.27Å; N153-D187 WeakPolarHBondContact CA-OD2 3.39Å; N153-D187 PolarHBondContact ND2-OD2 2.93Å; N153-N193 HydrophobicContact CB-CB 4Å; N153-N193 PolarHBondContact N-ND2 3.15Å; N153-D243 PolarHBondContact OD1-OD1 3.29Å
154	D	90.1	Very high	92.7	Very high	99 Å²	99	56.9 Å²	56.9	53%	0.529	29%	0.286	S	S	.	.			trans	-129.9	-6.1	170.3	71.2	-5.5	0	0	0	114.4	I152	I152-D154 HydrophobicContact CD1-CB 4.15Å; I152-D154 HydrophobicContact CG1-CB 4.18Å
155	N	90.1	Very high	93.2	Very high	54 Å²	54	55.5 Å²	55.5	29%	0.289	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-98.1	143.4	168.5	-53.8	-82.2	0	0	0	110.9	N153 A186 D187	N153-N155 PolarHBondContact ND2-O 3.15Å; N155-A186 HydrophobicContact CB-CB 4.07Å; N155-D187 WeakPolarHBondContact CB-OD1 3.43Å; N155-D187 PolarHBondContact ND2-OD1 2.79Å
156	E	90.9	Very high	93.6	Very high	71 Å²	71	56.4 Å²	56.4	33%	0.332	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-98.2	146.7	170.3	61.8	171.1	162.6	0	0	110.7	V158 V253 K254	E156-V158 WeakPolarHBondContact O-CG2 3.04Å; E156-V158 PolarHBondContact O-N 3.06Å; E156-V253 WeakPolarHBondContact OE2-CA 3.37Å; E156-K254 VanDerWaalsContact CD-NZ 3.29Å; E156-K254 IonicContact OE1-NZ 3.37Å; E156-K254 PolarHBondContact OE1-NZ 2.94Å; E156-K254 PolarHBondContact OE2-N 2.64Å
157	P	93.9	Very high	94	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-55.2	137.5	174.3	-25.8	32.3	0	0	0	113	D185 I196 A241 D243	P157-D185 WeakPolarHBondContact CG-OD2 3.41Å; P157-I196 HydrophobicContact CB-CD1 4.35Å; P157-I196 HydrophobicContact CB-CG1 4.21Å; P157-I196 HydrophobicContact CB-CG2 4.33Å; P157-I196 HydrophobicContact CG-CG1 4.23Å; P157-A241 HydrophobicContact CB-CB 3.91Å; P157-D243 HydrophobicContact CG-CB 4.06Å
158	V	94.1	Very high	94.3	Very high	59 Å²	59	53.6 Å²	53.6	36%	0.358	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.4	179.2	-169.3	0	0	0	0	109.8	E156 A183 T184 K254	E156-V158 WeakPolarHBondContact O-CG2 3.04Å; E156-V158 PolarHBondContact O-N 3.06Å; V158-A183 CarbonylContact O-C 3.48Å; V158-A183 WeakPolarHBondContact O-CA 3.33Å; V158-A183 WeakPolarHBondContact O-CB 2.96Å; V158-T184 PolarHBondContact N-O 2.82Å; V158-T184 PolarHBondContact O-N 3.44Å; V158-T184 PolarHBondContact O-OG1 3.44Å; V158-K254 HydrophobicContact CB-CD 4.28Å; V158-K254 HydrophobicContact CG1-CD 3.88Å; V158-K254 HydrophobicContact CG2-CD 4.02Å
159	F	96.6	Very high	94.5	Very high	20 Å²	20	55.9 Å²	55.9	9%	0.088	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	146.8	173.7	-74.5	-75.6	0	0	0	111.7	Q161 F164 I181 A183 Y198 V239 A241 A256	F159-Q161 WeakPolarHBondContact CB-O 3.47Å; F159-Q161 PolarHBondContact O-N 2.63Å; F159-F164 HydrophobicContact CB-CE2 4.21Å; F159-F164 HydrophobicContact CB-CZ 4.43Å; F159-F164 AromaticContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CZ 4.13Å; F159-F164 HydrophobicContact CG-CE2 4.3Å; F159-I181 HydrophobicContact CE1-CD1 4.11Å; F159-A183 HydrophobicContact CD1-CB 4Å; F159-A183 HydrophobicContact CE1-CB 4.36Å; F159-A183 HydrophobicContact CG-CB 4.38Å; F159-Y198 AromaticContact CE1-CD1 3.93Å; F159-Y198 HydrophobicContact CE1-CD1 3.93Å; F159-Y198 AromaticContact CE1-CE1 3.97Å; F159-Y198 HydrophobicContact CE1-CE1 3.97Å; F159-Y198 HydrophobicContact CZ-CD1 4.39Å; F159-V239 HydrophobicContact CE1-CG2 4.08Å; F159-V239 HydrophobicContact CZ-CB 4.37Å; F159-V239 HydrophobicContact CZ-CG2 3.83Å; F159-A241 HydrophobicContact CE1-CB 4.18Å; F159-A241 HydrophobicContact CE2-CB 3.88Å; F159-A241 HydrophobicContact CZ-CB 3.65Å; F159-A256 HydrophobicContact CB-CB 4.03Å; F159-A256 HydrophobicContact CD1-CB 4.13Å; F159-A256 HydrophobicContact CD2-CB 3.53Å; F159-A256 HydrophobicContact CE1-CB 4.5Å; F159-A256 HydrophobicContact CE2-CB 3.96Å; F159-A256 HydrophobicContact CG-CB 3.62Å; F159-A256 HydrophobicContact CZ-CB 4.41Å
160	T	96.1	Very high	94.6	Very high	73 Å²	73	56.1 Å²	56.1	45%	0.448	31%	0.31	S	S	.	.	S	Bend	trans	-74.8	-13.7	177.4	58.5	0	0	0	0	113.6	N182 T184	T160-N182 HydrophobicContact CG2-CB 4.38Å; T160-N182 WeakPolarHBondContact CG2-ND2 3.23Å; T160-N182 PolarHBondContact N-O 2.68Å; T160-N182 PolarHBondContact OG1-O 2.85Å; T160-T184 HydrophobicContact CG2-CG2 4.25Å
161	Q	95.3	Very high	94.6	Very high	104 Å²	104	55.8 Å²	55.8	49%	0.486	31%	0.308	S	S	.	.			trans	-148.6	144	178.9	-65.9	174	97.2	0	0	109	F159 V163 F164	F159-Q161 WeakPolarHBondContact CB-O 3.47Å; F159-Q161 PolarHBondContact O-N 2.63Å; Q161-V163 VanDerWaalsContact C-N 3.34Å; Q161-F164 HydrophobicContact CB-CD1 4.45Å; Q161-F164 HydrophobicContact CB-CD2 4.47Å; Q161-F164 HydrophobicContact CB-CE1 4.14Å; Q161-F164 HydrophobicContact CB-CE2 4.16Å; Q161-F164 HydrophobicContact CB-CZ 3.97Å; Q161-F164 HydrophobicContact CG-CE1 4.45Å; Q161-F164 WeakPolarHBondContact O-CE2 3.4Å
162	D	94.6	Very high	94.6	Very high	141 Å²	141	56.1 Å²	56.1	75%	0.754	31%	0.312	S	S	*	.	S	Bend	trans	-73.1	-28.5	175.2	-56.9	-50.7	0	0	0	112.3	A256 Q257	D162-A256 WeakPolarHBondContact O-CA 3.21Å; D162-A256 WeakPolarHBondContact O-CB 3.12Å; D162-Q257 PolarHBondContact O-N 3.48Å
163	V	97.3	Very high	94.7	Very high	58 Å²	58	57.4 Å²	57.4	35%	0.352	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.9	177.3	-172.5	0	0	0	0	109.3	Q161 V165 Q257 Q259	Q161-V163 VanDerWaalsContact C-N 3.34Å; V163-V165 HydrophobicContact CG1-CG1 4.34Å; V163-Q257 CarbonylContact C-O 3.51Å; V163-Q257 WeakPolarHBondContact CA-O 3.36Å; V163-Q257 HydrophobicContact CG1-CB 4.35Å; V163-Q257 HydrophobicContact CG2-CB 4.36Å; V163-Q259 HydrophobicContact CG1-CG 4.25Å
164	F	97.7	Very high	94.9	Very high	9 Å²	9	58 Å²	58	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.5	169.9	-63.4	-97.6	0	0	0	109.5	F159 Q161 M179 I181 N182 A256 Q257 V258 Q259	F159-F164 HydrophobicContact CB-CE2 4.21Å; F159-F164 HydrophobicContact CB-CZ 4.43Å; F159-F164 AromaticContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CZ 4.13Å; F159-F164 HydrophobicContact CG-CE2 4.3Å; Q161-F164 HydrophobicContact CB-CD1 4.45Å; Q161-F164 HydrophobicContact CB-CD2 4.47Å; Q161-F164 HydrophobicContact CB-CE1 4.14Å; Q161-F164 HydrophobicContact CB-CE2 4.16Å; Q161-F164 HydrophobicContact CB-CZ 3.97Å; Q161-F164 HydrophobicContact CG-CE1 4.45Å; Q161-F164 WeakPolarHBondContact O-CE2 3.4Å; F164-M179 HydrophobicContact CB-SD 4.29Å; F164-I181 HydrophobicContact CB-CG2 4.1Å; F164-I181 HydrophobicContact CD1-CB 4.29Å; F164-I181 HydrophobicContact CD1-CG2 4.03Å; F164-I181 HydrophobicContact CD2-CB 4.37Å; F164-I181 HydrophobicContact CD2-CG2 3.94Å; F164-I181 HydrophobicContact CE1-CB 4.24Å; F164-I181 HydrophobicContact CE1-CG2 4.47Å; F164-I181 HydrophobicContact CE2-CB 4.33Å; F164-I181 HydrophobicContact CE2-CG2 4.39Å; F164-I181 HydrophobicContact CG-CB 4.37Å; F164-I181 HydrophobicContact CG-CG2 3.75Å; F164-I181 HydrophobicContact CZ-CB 4.27Å; F164-N182 WeakPolarHBondContact CZ-O 3.34Å; F164-A256 HydrophobicContact CD2-CB 4.33Å; F164-A256 HydrophobicContact CE2-CB 4.05Å; F164-Q257 PolarHBondContact N-O 2.84Å; F164-V258 HydrophobicContact CB-CG1 4.19Å; F164-V258 HydrophobicContact CB-CG2 4.32Å; F164-V258 CarbonylContact O-C 3.5Å; F164-V258 WeakPolarHBondContact O-CA 3.34Å; F164-Q259 PolarHBondContact O-N 3.38Å
165	V	97.6	Very high	95.2	Very high	110 Å²	110	58.9 Å²	58.9	67%	0.667	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.4	179.5	-62	0	0	0	0	111	V163 Q259	V163-V165 HydrophobicContact CG1-CG1 4.34Å; V165-Q259 WeakPolarHBondContact CA-O 3.07Å; V165-Q259 HydrophobicContact CG1-CB 4.43Å
166	G	96.2	Very high	95.5	Very high	25 Å²	25	58.7 Å²	58.7	26%	0.258	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-175.3	175.7	0	0	0	0	0	112.5	M179 Q259 I260 R261	G166-M179 VanDerWaalsContact N-CE 3.32Å; G166-Q259 PolarHBondContact N-O 2.83Å; G166-Q259 VanDerWaalsContact N-O 3.12Å; G166-I260 WeakPolarHBondContact O-CA 3.47Å; G166-R261 PolarHBondContact O-N 3.2Å
167	S	97.4	Very high	95.9	Very high	57 Å²	57	59.9 Å²	59.9	40%	0.399	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.9	-171.4	55.9	0	0	0	0	113	R261	S167-R261 WeakPolarHBondContact CA-O 2.96Å; S167-R261 VanDerWaalsContact CB-O 3.29Å; S167-R261 WeakPolarHBondContact CB-O 3.31Å
168	V	97.4	Very high	96	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.7	177.5	57.6	0	0	0	0	109.2	S172 T176 V178 F211 T222 L227 I260 R261 I262 L263	V168-S172 WeakPolarHBondContact CG2-OG 3.29Å; V168-T176 HydrophobicContact CG2-CG2 4.49Å; V168-V178 HydrophobicContact CB-CG1 4.13Å; V168-V178 HydrophobicContact CB-CG2 4.09Å; V168-V178 HydrophobicContact CG1-CG1 4.19Å; V168-V178 HydrophobicContact CG1-CG2 4.13Å; V168-V178 HydrophobicContact CG2-CG2 4.25Å; V168-F211 HydrophobicContact CG1-CE1 4.41Å; V168-T222 HydrophobicContact CG2-CG2 4.14Å; V168-L227 HydrophobicContact CG1-CD1 3.62Å; V168-L227 HydrophobicContact CG2-CD1 4.44Å; V168-I260 HydrophobicContact CG1-CG2 4.16Å; V168-R261 PolarHBondContact N-O 2.77Å; V168-I262 HydrophobicContact CG1-CD1 3.88Å; V168-I262 WeakPolarHBondContact O-CA 3.46Å; V168-L263 PolarHBondContact O-N 3.03Å
169	E	95.4	Very high	96.2	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	139.6	172.4	-66.5	173.8	-177.2	0	0	110.1	S172 V265	E169-S172 WeakPolarHBondContact O-CB 3.44Å; E169-S172 PolarHBondContact O-N 3.23Å; E169-S172 PolarHBondContact O-OG 3.41Å; E169-V265 HydrophobicContact CB-CG2 4.23Å
170	E	95.4	Very high	96.2	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.023	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	164.3	168.6	69.5	-166.5	129	0	0	112.5	S172 R229 I262 L263 D264 V265	E170-S172 PolarHBondContact O-N 2.79Å; E170-R229 WeakPolarHBondContact OE2-CB 3.06Å; E170-R229 PolarHBondContact OE2-N 3.21Å; E170-I262 HydrophobicContact CB-CG2 3.64Å; E170-L263 PolarHBondContact N-O 2.62Å; E170-L263 VanDerWaalsContact N-O 3.13Å; E170-D264 WeakPolarHBondContact OE1-CA 3.43Å; E170-V265 HydrophobicContact CG-CB 3.82Å; E170-V265 HydrophobicContact CG-CG2 3.95Å; E170-V265 PolarHBondContact OE1-N 2.76Å
171	L	93.5	Very high	96.3	Very high	54 Å²	54	59.7 Å²	59.7	28%	0.283	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	13	-172.7	-52.6	173.3	0	0	0	114.1	L227 D267	L171-L227 PolarHBondContact N-O 2.91Å; L171-D267 HydrophobicContact CD1-CB 4.04Å; L171-D267 VanDerWaalsContact CD1-OD2 3.24Å; L171-D267 WeakPolarHBondContact CD1-OD2 3.42Å
172	S	94.1	Very high	96.3	Very high	23 Å²	23	57.9 Å²	57.9	16%	0.161	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-51.9	138.2	172.9	-85.8	0	0	0	0	110.8	V168 E169 E170	V168-S172 WeakPolarHBondContact CG2-OG 3.29Å; E169-S172 WeakPolarHBondContact O-CB 3.44Å; E169-S172 PolarHBondContact O-N 3.23Å; E169-S172 PolarHBondContact O-OG 3.41Å; E170-S172 PolarHBondContact O-N 2.79Å
173	A	94.8	Very high	96.3	Very high	69 Å²	69	51.4 Å²	51.4	57%	0.57	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-57.5	150.2	177.2	0	0	0	0	0	111.2	T176 T222	A173-T176 VanDerWaalsContact O-CB 3.32Å; A173-T176 WeakPolarHBondContact O-CB 3.28Å; A173-T176 PolarHBondContact O-N 2.73Å; A173-T176 PolarHBondContact O-OG1 2.79Å; A173-T222 PolarHBondContact O-OG1 3.17Å
174	A	95.3	Very high	96.2	Very high	63 Å²	63	52.5 Å²	52.5	52%	0.521	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	142.1	175.8	0	0	0	0	0	111.3	T176 T223	A174-T176 VanDerWaalsContact C-N 3.28Å; A174-T176 PolarHBondContact O-N 2.57Å; A174-T223 VanDerWaalsContact CA-O 3.28Å; A174-T223 WeakPolarHBondContact CA-O 3.2Å; A174-T223 WeakPolarHBondContact CB-O 3.36Å
175	H	96.1	Very high	96.1	Very high	118 Å²	118	53.8 Å²	53.8	55%	0.546	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	25.1	-175.8	-144.4	62.8	0	0	0	114.8	Y221 T222	H175-Y221 AromaticContact ND1-CG 3.99Å; H175-Y221 WeakPolarHBondContact O-CD1 3.3Å; H175-T222 WeakPolarHBondContact CA-O 3.44Å; H175-T222 PolarHBondContact N-O 2.86Å; H175-T222 PolarHBondContact N-OG1 2.83Å; H175-T222 VanDerWaalsContact N-OG1 3.1Å
176	T	96.9	Very high	95.9	Very high	49 Å²	49	50.7 Å²	50.7	30%	0.301	30%	0.3	S	S	.	.			trans	-71.3	131	165.6	-64.2	0	0	0	0	109.3	V168 A173 A174 V178 Y221 T222	V168-T176 HydrophobicContact CG2-CG2 4.49Å; A173-T176 VanDerWaalsContact O-CB 3.32Å; A173-T176 WeakPolarHBondContact O-CB 3.28Å; A173-T176 PolarHBondContact O-N 2.73Å; A173-T176 PolarHBondContact O-OG1 2.79Å; A174-T176 VanDerWaalsContact C-N 3.28Å; A174-T176 PolarHBondContact O-N 2.57Å; T176-V178 PolarHBondContact O-N 2.77Å; T176-Y221 CarbonylContact O-C 3.52Å; T176-Y221 VanDerWaalsContact O-CA 3.23Å; T176-Y221 WeakPolarHBondContact O-CA 3.39Å; T176-T222 PolarHBondContact N-OG1 3.49Å; T176-T222 PolarHBondContact O-N 2.8Å
177	L	97.4	Very high	95.8	Very high	97 Å²	97	49.6 Å²	49.6	51%	0.508	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121	175.5	179	69.4	0	0	0	110.1	M179 E219 Y221	L177-M179 WeakPolarHBondContact CD1-O 3.48Å; L177-E219 HydrophobicContact CD1-CB 3.79Å; L177-E219 HydrophobicContact CD1-CG 3.99Å; L177-Y221 HydrophobicContact CB-CD1 4.1Å; L177-Y221 HydrophobicContact CB-CE1 3.9Å; L177-Y221 HydrophobicContact CD1-CD1 4.27Å; L177-Y221 HydrophobicContact CD1-CE1 3.84Å; L177-Y221 HydrophobicContact CD1-CE2 4.36Å; L177-Y221 HydrophobicContact CG-CE1 4.47Å
178	V	97.6	Very high	95.6	Very high	19 Å²	19	49.7 Å²	49.7	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-51.6	177	-178.9	0	0	0	0	110.4	V168 T176 F211 I220 T222 I260	V168-V178 HydrophobicContact CB-CG1 4.13Å; V168-V178 HydrophobicContact CB-CG2 4.09Å; V168-V178 HydrophobicContact CG1-CG1 4.19Å; V168-V178 HydrophobicContact CG1-CG2 4.13Å; V168-V178 HydrophobicContact CG2-CG2 4.25Å; T176-V178 PolarHBondContact O-N 2.77Å; V178-F211 HydrophobicContact CG2-CD1 4.17Å; V178-F211 HydrophobicContact CG2-CE1 3.92Å; V178-I220 HydrophobicContact CB-CG2 4.3Å; V178-I220 PolarHBondContact N-O 2.87Å; V178-T222 HydrophobicContact CG2-CG2 4.06Å; V178-I260 HydrophobicContact CG1-CD1 4.27Å; V178-I260 HydrophobicContact CG1-CG2 3.82Å
179	M	97.3	Very high	95.3	Very high	24 Å²	24	53.5 Å²	53.5	12%	0.118	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-177.8	-177.4	65.2	154.8	67.7	0	0	111.7	F164 G166 L177 I181 I220 V258 I260	F164-M179 HydrophobicContact CB-SD 4.29Å; G166-M179 VanDerWaalsContact N-CE 3.32Å; L177-M179 WeakPolarHBondContact CD1-O 3.48Å; M179-I181 HydrophobicContact SD-CG2 4.12Å; M179-I220 HydrophobicContact CG-CB 4.06Å; M179-I220 HydrophobicContact CG-CD1 3.98Å; M179-I220 HydrophobicContact CG-CG1 4.35Å; M179-I220 PolarHBondContact O-N 3.06Å; M179-I220 HydrophobicContact SD-CD1 4.05Å; M179-V258 HydrophobicContact CE-CG1 3.53Å; M179-V258 HydrophobicContact SD-CG1 3.29Å; M179-V258 WeakPolarHBondContact SD-CG1 3Å; M179-I260 HydrophobicContact CE-CG1 4.3Å
180	K	97.4	Very high	95.1	Very high	105 Å²	105	56 Å²	56	46%	0.457	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.3	171.9	-178.6	169.3	-174.4	141.2	0	110.7	T217 G218 E219	K180-T217 WeakPolarHBondContact CE-O 3.22Å; K180-T217 PolarHBondContact NZ-O 3.47Å; K180-G218 CarbonylContact C-O 3.54Å; K180-G218 WeakPolarHBondContact CA-O 3.46Å; K180-E219 HydrophobicContact CB-CG 4.16Å; K180-E219 HydrophobicContact CD-CG 3.84Å; K180-E219 HydrophobicContact CG-CG 3.98Å; K180-E219 IonicContact NZ-OE1 2.7Å; K180-E219 PolarHBondContact NZ-OE1 3.34Å
181	I	97.1	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.337	C	S	.	.			trans	-84.6	155.3	167.7	63.4	175.6	0	0	0	109.8	F159 F164 M179 Y198 L213 G218 I220 V239 V258	F159-I181 HydrophobicContact CE1-CD1 4.11Å; F164-I181 HydrophobicContact CB-CG2 4.1Å; F164-I181 HydrophobicContact CD1-CB 4.29Å; F164-I181 HydrophobicContact CD1-CG2 4.03Å; F164-I181 HydrophobicContact CD2-CB 4.37Å; F164-I181 HydrophobicContact CD2-CG2 3.94Å; F164-I181 HydrophobicContact CE1-CB 4.24Å; F164-I181 HydrophobicContact CE1-CG2 4.47Å; F164-I181 HydrophobicContact CE2-CB 4.33Å; F164-I181 HydrophobicContact CE2-CG2 4.39Å; F164-I181 HydrophobicContact CG-CB 4.37Å; F164-I181 HydrophobicContact CG-CG2 3.75Å; F164-I181 HydrophobicContact CZ-CB 4.27Å; M179-I181 HydrophobicContact SD-CG2 4.12Å; I181-Y198 HydrophobicContact CD1-CD1 3.9Å; I181-Y198 HydrophobicContact CD1-CG 4.35Å; I181-Y198 HydrophobicContact CG1-CD1 4.15Å; I181-Y198 HydrophobicContact CG1-CE1 4.41Å; I181-L213 HydrophobicContact CD1-CD1 3.88Å; I181-L213 HydrophobicContact CD1-CD2 4.16Å; I181-L213 HydrophobicContact CG1-CD1 4.15Å; I181-G218 WeakPolarHBondContact CG1-O 3.5Å; I181-G218 PolarHBondContact N-O 3.1Å; I181-I220 HydrophobicContact CG2-CD1 4.15Å; I181-V239 HydrophobicContact CD1-CB 4.05Å; I181-V239 HydrophobicContact CD1-CG1 4.14Å; I181-V239 HydrophobicContact CD1-CG2 3.84Å; I181-V258 HydrophobicContact CG2-CG2 3.74Å
182	N	95.9	Very high	94.8	Very high	66 Å²	66	60.8 Å²	60.8	35%	0.353	35%	0.352	S	S	.	.			trans	-143.4	138.5	-179.8	-166	80.3	0	0	0	112	T160 F164	T160-N182 HydrophobicContact CG2-CB 4.38Å; T160-N182 WeakPolarHBondContact CG2-ND2 3.23Å; T160-N182 PolarHBondContact N-O 2.68Å; T160-N182 PolarHBondContact OG1-O 2.85Å; F164-N182 WeakPolarHBondContact CZ-O 3.34Å
183	A	95	Very high	94.6	Very high	6 Å²	6	61.6 Å²	61.6	5%	0.05	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	165.6	168.7	0	0	0	0	0	110.1	V158 F159 I196 Y198 A241	V158-A183 CarbonylContact O-C 3.48Å; V158-A183 WeakPolarHBondContact O-CA 3.33Å; V158-A183 WeakPolarHBondContact O-CB 2.96Å; F159-A183 HydrophobicContact CD1-CB 4Å; F159-A183 HydrophobicContact CE1-CB 4.36Å; F159-A183 HydrophobicContact CG-CB 4.38Å; A183-I196 VanDerWaalsContact C-CD1 3.48Å; A183-I196 HydrophobicContact CB-CD1 3.96Å; A183-I196 HydrophobicContact CB-CG2 4.3Å; A183-I196 WeakPolarHBondContact O-CD1 3.41Å; A183-Y198 HydrophobicContact CB-CE1 3.78Å; A183-Y198 PolarHBondContact N-OH 3.01Å; A183-A241 HydrophobicContact CB-CB 4.11Å
184	T	94.9	Very high	94.5	Very high	81 Å²	81	59.6 Å²	59.6	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.7	177.4	48.6	0	0	0	0	110	V158 T160	V158-T184 PolarHBondContact N-O 2.82Å; V158-T184 PolarHBondContact O-N 3.44Å; V158-T184 PolarHBondContact O-OG1 3.44Å; T160-T184 HydrophobicContact CG2-CG2 4.25Å
185	D	94.6	Very high	94.4	Very high	35 Å²	35	60.2 Å²	60.2	19%	0.187	33%	0.327	C	S	.	.			trans	-124.2	151.4	178.6	-161.3	-54.8	0	0	0	107.8	P157 D187 I196	P157-D185 WeakPolarHBondContact CG-OD2 3.41Å; D185-D187 WeakPolarHBondContact OD1-CB 3.44Å; D185-D187 PolarHBondContact OD1-N 2.84Å; D185-I196 HydrophobicContact CB-CD1 4.1Å; D185-I196 HydrophobicContact CB-CG1 4.05Å
186	A	94.4	Very high	94.2	Very high	45 Å²	45	55.7 Å²	55.7	37%	0.372	31%	0.307	S	S	.	.			trans	-96.2	-23.9	-178.3	0	0	0	0	0	112.8	R119 E120 N155	R119-A186 PolarHBondContact NH2-O 2.88Å; E120-A186 HydrophobicContact CG-CB 4.11Å; N155-A186 HydrophobicContact CB-CB 4.07Å
187	D	94.3	Very high	94.1	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	30%	0.295	C	S	.	.	S	Bend	trans	-62.4	168.9	-172.4	-60.8	-8.2	0	0	0	112.6	N153 N155 D185 P189 N193 S194	N153-D187 VanDerWaalsContact CA-OD2 3.27Å; N153-D187 WeakPolarHBondContact CA-OD2 3.39Å; N153-D187 PolarHBondContact ND2-OD2 2.93Å; N155-D187 WeakPolarHBondContact CB-OD1 3.43Å; N155-D187 PolarHBondContact ND2-OD1 2.79Å; D185-D187 WeakPolarHBondContact OD1-CB 3.44Å; D185-D187 PolarHBondContact OD1-N 2.84Å; D187-P189 WeakPolarHBondContact O-CD 3.34Å; D187-P189 VanDerWaalsContact O-N 3.09Å; D187-N193 HydrophobicContact CB-CB 3.59Å; D187-N193 WeakPolarHBondContact OD2-CB 3.02Å; D187-S194 WeakPolarHBondContact O-CB 3.4Å
188	E	92.6	Very high	93.9	Very high	60 Å²	60	50 Å²	50	28%	0.28	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59.3	119.2	-168.8	-176	167.8	-148.2	0	0	112	K148 D151 T191 S194	K148-E188 IonicContact NZ-OE1 3.89Å; K148-E188 PolarHBondContact NZ-OE1 2.81Å; K148-E188 IonicContact NZ-OE2 2.75Å; K148-E188 PolarHBondContact NZ-OE2 3.33Å; D151-E188 HydrophobicContact CB-CB 3.8Å; D151-E188 WeakPolarHBondContact OD1-CB 3.44Å; D151-E188 PolarHBondContact OD1-N 3.47Å; D151-E188 WeakPolarHBondContact OD2-CB 3.37Å; D151-E188 PolarHBondContact OD2-N 3.07Å; E188-T191 HydrophobicContact CB-CG2 3.82Å; E188-T191 HydrophobicContact CG-CG2 4.02Å; E188-T191 VanDerWaalsContact O-CB 3.31Å; E188-T191 WeakPolarHBondContact O-CB 3.05Å; E188-T191 WeakPolarHBondContact O-CG2 3.26Å; E188-T191 PolarHBondContact O-N 2.99Å; E188-T191 VanDerWaalsContact O-N 3.14Å; E188-T191 PolarHBondContact O-OG1 3.38Å; E188-S194 PolarHBondContact O-OG 3.29Å
189	P	91.9	Very high	93.7	Very high	90 Å²	90	55.6 Å²	55.6	58%	0.584	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	139.5	-169.1	23.6	-34.4	0	0	0	112.2	D187 T191 S194	D187-P189 WeakPolarHBondContact O-CD 3.34Å; D187-P189 VanDerWaalsContact O-N 3.09Å; P189-T191 VanDerWaalsContact C-N 3.31Å; P189-S194 WeakPolarHBondContact CA-OG 3.45Å
190	N	90.9	Very high	93.6	Very high	164 Å²	164	56.8 Å²	56.8	88%	0.877	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	14.1	-172.9	-40.9	-95.1	0	0	0	114.6	S194	N190-S194 PolarHBondContact N-OG 3.08Å
191	T	91.3	Very high	93.4	Very high	47 Å²	47	55 Å²	55	29%	0.288	30%	0.297	S	S	.	.	S	Bend	trans	-86.7	-171.7	163.9	67.2	0	0	0	0	111	E188 P189 N193 S194	E188-T191 HydrophobicContact CB-CG2 3.82Å; E188-T191 HydrophobicContact CG-CG2 4.02Å; E188-T191 VanDerWaalsContact O-CB 3.31Å; E188-T191 WeakPolarHBondContact O-CB 3.05Å; E188-T191 WeakPolarHBondContact O-CG2 3.26Å; E188-T191 PolarHBondContact O-N 2.99Å; E188-T191 VanDerWaalsContact O-N 3.14Å; E188-T191 PolarHBondContact O-OG1 3.38Å; P189-T191 VanDerWaalsContact C-N 3.31Å; T191-N193 PolarHBondContact OG1-N 2.95Å; T191-N193 VanDerWaalsContact OG1-N 3.14Å; T191-S194 PolarHBondContact OG1-N 2.88Å
192	L	90.7	Very high	93.3	Very high	114 Å²	114	57.1 Å²	57.1	60%	0.597	31%	0.312	S	S	*	.	S	Bend	trans	-77	-31.9	164.7	-75.8	170	0	0	0	111.8	K195 G244	L192-K195 WeakPolarHBondContact O-CB 3.4Å; L192-K195 PolarHBondContact O-N 3.47Å; L192-G244 WeakPolarHBondContact O-CA 3.48Å; L192-G244 PolarHBondContact O-N 2.91Å
193	N	90.5	Very high	93.2	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.214	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-55.3	-174.8	-59.4	-6.5	0	0	0	109	D151 N153 D187 T191 K195 D243	D151-N193 PolarHBondContact OD2-ND2 3.07Å; N153-N193 HydrophobicContact CB-CB 4Å; N153-N193 PolarHBondContact N-ND2 3.15Å; D187-N193 HydrophobicContact CB-CB 3.59Å; D187-N193 WeakPolarHBondContact OD2-CB 3.02Å; T191-N193 PolarHBondContact OG1-N 2.95Å; T191-N193 VanDerWaalsContact OG1-N 3.14Å; N193-K195 PolarHBondContact O-N 2.79Å; N193-D243 WeakPolarHBondContact O-CB 3.48Å
194	S	91.9	Very high	93.2	Very high	26 Å²	26	61.1 Å²	61.1	18%	0.182	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	10.1	175.2	92.4	0	0	0	0	115.4	D187 E188 P189 N190 T191 I196	D187-S194 WeakPolarHBondContact O-CB 3.4Å; E188-S194 PolarHBondContact O-OG 3.29Å; P189-S194 WeakPolarHBondContact CA-OG 3.45Å; N190-S194 PolarHBondContact N-OG 3.08Å; T191-S194 PolarHBondContact OG1-N 2.88Å; S194-I196 PolarHBondContact O-N 3.34Å
195	K	93.1	Very high	93.2	Very high	76 Å²	76	58.9 Å²	58.9	33%	0.33	32%	0.316	S	S	.	.			trans	-94.5	79.2	-169.3	-158.7	-134.6	163.8	-167.7	0	112.8	L192 N193 S197 D216	L192-K195 WeakPolarHBondContact O-CB 3.4Å; L192-K195 PolarHBondContact O-N 3.47Å; N193-K195 PolarHBondContact O-N 2.79Å; K195-S197 PolarHBondContact O-N 3.43Å; K195-D216 WeakPolarHBondContact CE-OD1 3.33Å; K195-D216 IonicContact NZ-OD1 3.95Å; K195-D216 PolarHBondContact NZ-OD1 2.71Å
196	I	93.3	Very high	93.1	Very high	24 Å²	24	61.2 Å²	61.2	12%	0.123	34%	0.339	C	S	.	.			trans	-54.6	132.4	176.9	-48.1	-179.9	0	0	0	111.9	P157 A183 D185 S194 Y198 A241 R242	P157-I196 HydrophobicContact CB-CD1 4.35Å; P157-I196 HydrophobicContact CB-CG1 4.21Å; P157-I196 HydrophobicContact CB-CG2 4.33Å; P157-I196 HydrophobicContact CG-CG1 4.23Å; A183-I196 VanDerWaalsContact C-CD1 3.48Å; A183-I196 HydrophobicContact CB-CD1 3.96Å; A183-I196 HydrophobicContact CB-CG2 4.3Å; A183-I196 WeakPolarHBondContact O-CD1 3.41Å; D185-I196 HydrophobicContact CB-CD1 4.1Å; D185-I196 HydrophobicContact CB-CG1 4.05Å; S194-I196 PolarHBondContact O-N 3.34Å; I196-Y198 HydrophobicContact CG2-CD1 4.31Å; I196-Y198 HydrophobicContact CG2-CD2 4.43Å; I196-Y198 HydrophobicContact CG2-CE1 3.89Å; I196-Y198 HydrophobicContact CG2-CE2 4.01Å; I196-A241 HydrophobicContact CG2-CB 3.99Å; I196-R242 CarbonylContact C-O 3.55Å; I196-R242 WeakPolarHBondContact CA-O 3.46Å
197	S	93.1	Very high	92.9	Very high	8 Å²	8	67.9 Å²	67.9	6%	0.056	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.6	171.3	-61.2	0	0	0	0	109.2	K195 K215 R242	K195-S197 PolarHBondContact O-N 3.43Å; S197-K215 CarbonylContact C-O 3.48Å; S197-K215 WeakPolarHBondContact CA-O 3Å; S197-R242 PolarHBondContact N-O 3.26Å; S197-R242 PolarHBondContact O-N 2.74Å
198	Y	94.6	Very high	92.8	Very high	17 Å²	17	68.7 Å²	68.7	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145	-178.6	-56.1	-85	0	0	0	112.3	F159 I181 A183 I196 K215 G218 A241	F159-Y198 AromaticContact CE1-CD1 3.93Å; F159-Y198 HydrophobicContact CE1-CD1 3.93Å; F159-Y198 AromaticContact CE1-CE1 3.97Å; F159-Y198 HydrophobicContact CE1-CE1 3.97Å; F159-Y198 HydrophobicContact CZ-CD1 4.39Å; I181-Y198 HydrophobicContact CD1-CD1 3.9Å; I181-Y198 HydrophobicContact CD1-CG 4.35Å; I181-Y198 HydrophobicContact CG1-CD1 4.15Å; I181-Y198 HydrophobicContact CG1-CE1 4.41Å; A183-Y198 HydrophobicContact CB-CE1 3.78Å; A183-Y198 PolarHBondContact N-OH 3.01Å; I196-Y198 HydrophobicContact CG2-CD1 4.31Å; I196-Y198 HydrophobicContact CG2-CD2 4.43Å; I196-Y198 HydrophobicContact CG2-CE1 3.89Å; I196-Y198 HydrophobicContact CG2-CE2 4.01Å; Y198-K215 WeakPolarHBondContact CD2-O 3.37Å; Y198-K215 PolarHBondContact N-O 3.43Å; Y198-K215 WeakPolarHBondContact O-CA 3.31Å; Y198-K215 VanDerWaalsContact O-CB 3.25Å; Y198-K215 WeakPolarHBondContact O-CB 3.46Å; Y198-G218 VanDerWaalsContact CD2-CA 3.49Å; Y198-A241 HydrophobicContact CD1-CB 4.25Å; Y198-A241 HydrophobicContact CE1-CB 4.41Å
199	R	93.8	Very high	92.7	Very high	137 Å²	137	69.3 Å²	69.3	52%	0.517	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.8	178.1	168	169.9	176.6	155.1	-2	112.4	V239 E240	R199-V239 CarbonylContact O-C 3.46Å; R199-V239 VanDerWaalsContact O-CA 3.29Å; R199-V239 WeakPolarHBondContact O-CA 3.43Å; R199-E240 HydrophobicContact CB-CG 3.85Å; R199-E240 WeakPolarHBondContact CD-OE1 3.44Å; R199-E240 HydrophobicContact CG-CG 4.21Å; R199-E240 PolarHBondContact N-O 2.79Å; R199-E240 PolarHBondContact O-N 3.11Å
200	I	94.9	Very high	92.9	Very high	49 Å²	49	65 Å²	65	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.6	166.8	-55.3	175.1	0	0	0	108.7	S202 L213 L237 V239	I200-S202 VanDerWaalsContact CG2-O 3.27Å; I200-S202 WeakPolarHBondContact CG2-O 3.37Å; I200-L213 HydrophobicContact CD1-CB 3.91Å; I200-L213 HydrophobicContact CG1-CB 3.83Å; I200-L213 HydrophobicContact CG1-CD2 3.78Å; I200-L213 HydrophobicContact CG1-CG 4.5Å; I200-L237 HydrophobicContact CD1-CD2 3.93Å; I200-L237 HydrophobicContact CG1-CD2 4.27Å; I200-V239 HydrophobicContact CG1-CG1 4.44Å
201	V	93.3	Very high	93.2	Very high	67 Å²	67	57.9 Å²	57.9	41%	0.406	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-48	176	-178.3	0	0	0	0	109.9	T238 E240	V201-T238 HydrophobicContact CB-CG2 4.23Å; V201-T238 WeakPolarHBondContact CB-O 3.43Å; V201-T238 PolarHBondContact N-O 2.04Å; V201-E240 HydrophobicContact CG2-CB 3.68Å; V201-E240 HydrophobicContact CG2-CG 3.62Å
202	S	94	Very high	93.5	Very high	45 Å²	45	60.7 Å²	60.7	32%	0.315	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.8	174.4	68.6	0	0	0	0	111.2	I200 L237 T238	I200-S202 VanDerWaalsContact CG2-O 3.27Å; I200-S202 WeakPolarHBondContact CG2-O 3.37Å; S202-L237 WeakPolarHBondContact O-CA 3.17Å; S202-T238 PolarHBondContact N-O 3.05Å; S202-T238 PolarHBondContact O-N 2.92Å; S202-T238 WeakPolarHBondContact OG-CB 3.31Å; S202-T238 PolarHBondContact OG-OG1 2.68Å; S202-T238 VanDerWaalsContact OG-OG1 3.05Å
203	L	94.8	Very high	93.8	Very high	26 Å²	26	56 Å²	56	14%	0.136	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.3	172.3	173.8	73.6	0	0	0	106.3	P205 A206 F211 Y235 T236 L237	L203-P205 WeakPolarHBondContact CD2-O 3.35Å; L203-P205 VanDerWaalsContact CG-O 3.31Å; L203-P205 WeakPolarHBondContact CG-O 3.04Å; L203-P205 CarbonylContact O-C 3.56Å; L203-A206 WeakPolarHBondContact O-CA 3.07Å; L203-A206 WeakPolarHBondContact O-CB 3.46Å; L203-A206 PolarHBondContact O-N 2.84Å; L203-F211 HydrophobicContact CD1-CD2 4.13Å; L203-Y235 HydrophobicContact CD1-CD1 4.07Å; L203-T236 CarbonylContact C-O 3.59Å; L203-T236 WeakPolarHBondContact CA-O 3.4Å; L203-L237 HydrophobicContact CD1-CD1 3.49Å; L203-L237 VanDerWaalsContact CD1-CD1 3.49Å; L203-L237 HydrophobicContact CD1-CD2 4.35Å; L203-L237 HydrophobicContact CD1-CG 3.53Å
204	E	94.8	Very high	94.1	Very high	130 Å²	130	55.7 Å²	55.7	61%	0.607	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	119.6	173.6	-66.3	-174.6	176.8	0	0	108.2	Y235 T236	E204-Y235 WeakPolarHBondContact O-CA 3.29Å; E204-T236 PolarHBondContact N-O 2.97Å; E204-T236 PolarHBondContact O-N 3.28Å
205	P	95.2	Very high	94.2	Very high	35 Å²	35	59.3 Å²	59.3	23%	0.227	30%	0.297	C	S	.	.	S	Bend	cis	-63.7	140.6	-7.3	31.1	-41.4	0	0	0	113.7	L203 Y207 H232 Y235	L203-P205 WeakPolarHBondContact CD2-O 3.35Å; L203-P205 VanDerWaalsContact CG-O 3.31Å; L203-P205 WeakPolarHBondContact CG-O 3.04Å; L203-P205 CarbonylContact O-C 3.56Å; P205-Y207 VanDerWaalsContact C-N 3.27Å; P205-Y207 PolarHBondContact O-N 2.87Å; P205-H232 HydrophobicContact CG-CB 4.39Å; P205-Y235 VanDerWaalsContact CD-CD1 3.49Å; P205-Y235 HydrophobicContact CG-CD1 3.79Å; P205-Y235 HydrophobicContact CG-CE1 3.5Å
206	A	91.4	Very high	94.2	Very high	83 Å²	83	59.5 Å²	59.5	69%	0.686	30%	0.301	S	S	*	.			trans	-72.9	-10.5	-171.6	0	0	0	0	0	115.9	L203	L203-A206 WeakPolarHBondContact O-CA 3.07Å; L203-A206 WeakPolarHBondContact O-CB 3.46Å; L203-A206 PolarHBondContact O-N 2.84Å
207	Y	89.9	Confident	94.2	Very high	185 Å²	185	60.4 Å²	60.4	73%	0.725	31%	0.308	S	S	*	.	S	Bend	trans	-152.8	142.1	178.6	-171.1	-87.8	0	0	0	109.2	P205	P205-Y207 VanDerWaalsContact C-N 3.27Å; P205-Y207 PolarHBondContact O-N 2.87Å
208	P	92.1	Very high	94.4	Very high	20 Å²	20	60 Å²	60	13%	0.13	31%	0.305	C	S	.	.	S	Bend	cis	-74	157.8	-1.3	28.2	-32.3	0	0	0	114.2	V210 V225	P208-V210 VanDerWaalsContact C-N 3.32Å; P208-V210 HydrophobicContact CG-CG1 4.04Å; P208-V210 PolarHBondContact O-N 3.26Å; P208-V225 HydrophobicContact CB-CG1 4.12Å; P208-V225 HydrophobicContact CG-CG1 3.95Å
209	P	92.2	Very high	94.5	Very high	72 Å²	72	61.1 Å²	61.1	47%	0.468	31%	0.311	S	S	.	.			trans	-74.8	82.1	176.9	31.2	-35.2	0	0	0	111.2	T223	P209-T223 WeakPolarHBondContact O-CG2 3.48Å; P209-T223 PolarHBondContact O-OG1 2.84Å
210	V	95.4	Very high	94.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	29%	0.287	C	S	.	.			trans	-79.9	-14.7	-177.3	-66.9	0	0	0	0	114.7	P208 T222 T223 V225 L227 Y235	P208-V210 VanDerWaalsContact C-N 3.32Å; P208-V210 HydrophobicContact CG-CG1 4.04Å; P208-V210 PolarHBondContact O-N 3.26Å; V210-T222 CarbonylContact O-C 3.55Å; V210-T223 WeakPolarHBondContact CA-OG1 3.32Å; V210-T223 PolarHBondContact O-N 2.85Å; V210-T223 PolarHBondContact O-OG1 2.87Å; V210-V225 HydrophobicContact CG1-CB 4.2Å; V210-V225 HydrophobicContact CG1-CG1 3.98Å; V210-L227 HydrophobicContact CB-CD2 3.65Å; V210-L227 HydrophobicContact CB-CG 4.45Å; V210-L227 HydrophobicContact CG1-CD2 4Å; V210-L227 HydrophobicContact CG2-CD2 3.72Å; V210-Y235 HydrophobicContact CG2-CD1 3.95Å; V210-Y235 HydrophobicContact CG2-CE1 3.42Å; V210-Y235 VanDerWaalsContact CG2-CE1 3.42Å; V210-Y235 HydrophobicContact CG2-CE2 4.33Å
211	F	97.2	Very high	94.9	Very high	14 Å²	14	54.1 Å²	54.1	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.7	-180	-61.2	-59.9	0	0	0	113.9	V168 V178 L203 I220 Y221 L227 Y235 L237 I260 I262	V168-F211 HydrophobicContact CG1-CE1 4.41Å; V178-F211 HydrophobicContact CG2-CD1 4.17Å; V178-F211 HydrophobicContact CG2-CE1 3.92Å; L203-F211 HydrophobicContact CD1-CD2 4.13Å; F211-I220 HydrophobicContact CB-CG2 4.18Å; F211-I220 HydrophobicContact CD1-CG2 4.15Å; F211-I220 HydrophobicContact CG-CG2 4.31Å; F211-Y221 CarbonylContact C-O 3.5Å; F211-Y221 WeakPolarHBondContact CA-O 3.35Å; F211-L227 HydrophobicContact CE1-CD1 4Å; F211-L227 HydrophobicContact CE1-CD2 4.4Å; F211-L227 HydrophobicContact CZ-CD1 4.23Å; F211-L227 HydrophobicContact CZ-CD2 3.99Å; F211-Y235 HydrophobicContact CE2-CD1 4.08Å; F211-Y235 AromaticContact CE2-CD2 3.91Å; F211-Y235 HydrophobicContact CE2-CD2 3.91Å; F211-Y235 AromaticContact CE2-CG 3.67Å; F211-Y235 HydrophobicContact CE2-CG 3.67Å; F211-Y235 HydrophobicContact CZ-CD2 4.25Å; F211-Y235 HydrophobicContact CZ-CG 4.45Å; F211-L237 HydrophobicContact CD2-CD1 4.2Å; F211-I260 HydrophobicContact CD1-CD1 4.24Å; F211-I260 HydrophobicContact CD2-CD1 3.94Å; F211-I260 HydrophobicContact CE1-CD1 4.09Å; F211-I260 HydrophobicContact CE1-CG2 4.29Å; F211-I260 HydrophobicContact CE2-CB 4.42Å; F211-I260 HydrophobicContact CE2-CD1 3.78Å; F211-I260 HydrophobicContact CE2-CG2 4.39Å; F211-I260 HydrophobicContact CG-CD1 4.19Å; F211-I260 HydrophobicContact CZ-CB 4.27Å; F211-I260 HydrophobicContact CZ-CD1 3.87Å; F211-I260 HydrophobicContact CZ-CG2 3.75Å; F211-I262 HydrophobicContact CZ-CD1 4.31Å
212	Y	96.4	Very high	95.1	Very high	105 Å²	105	51 Å²	51	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.4	170.4	166.1	-103	0	0	0	109.7	N214 I220 Y221	Y212-N214 HydrophobicContact CE1-CB 4.02Å; Y212-I220 WeakPolarHBondContact O-CA 3.14Å; Y212-Y221 AromaticContact CD1-CD2 3.94Å; Y212-Y221 HydrophobicContact CD1-CD2 3.94Å; Y212-Y221 HydrophobicContact CE1-CD2 4.29Å; Y212-Y221 PolarHBondContact N-O 2.94Å; Y212-Y221 PolarHBondContact O-N 2.92Å
213	L	97.4	Very high	95.1	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.5	172.7	172.1	62.3	0	0	0	109.5	I181 I200 K215 I220 V239	I181-L213 HydrophobicContact CD1-CD1 3.88Å; I181-L213 HydrophobicContact CD1-CD2 4.16Å; I181-L213 HydrophobicContact CG1-CD1 4.15Å; I200-L213 HydrophobicContact CD1-CB 3.91Å; I200-L213 HydrophobicContact CG1-CB 3.83Å; I200-L213 HydrophobicContact CG1-CD2 3.78Å; I200-L213 HydrophobicContact CG1-CG 4.5Å; L213-K215 PolarHBondContact O-N 2.86Å; L213-I220 HydrophobicContact CB-CG1 4.47Å; L213-I220 HydrophobicContact CD1-CD1 4.44Å; L213-I220 HydrophobicContact CD1-CG1 3.68Å; L213-V239 HydrophobicContact CD2-CG1 4.12Å
214	N	96.6	Very high	95	Very high	34 Å²	34	54.6 Å²	54.6	18%	0.182	29%	0.289	C	S	.	.			trans	-73.2	107.9	172.4	-177.2	-9.5	0	0	0	109.9	Y212 D216 T217 G218 E219 Y221	Y212-N214 HydrophobicContact CE1-CB 4.02Å; N214-D216 PolarHBondContact O-N 3.44Å; N214-D216 PolarHBondContact OD1-N 3.14Å; N214-T217 WeakPolarHBondContact CB-OG1 3.16Å; N214-T217 PolarHBondContact ND2-OG1 3.13Å; N214-T217 PolarHBondContact O-N 3.33Å; N214-G218 PolarHBondContact O-N 2.96Å; N214-E219 HydrophobicContact CB-CB 4.46Å; N214-E219 PolarHBondContact N-O 2.02Å; N214-Y221 HydrophobicContact CB-CE2 4.26Å
215	K	94.6	Very high	95	Very high	102 Å²	102	51 Å²	51	44%	0.443	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.9	-174.9	73.7	168.4	-163.3	163.2	0	114.2	S197 Y198 L213	S197-K215 CarbonylContact C-O 3.48Å; S197-K215 WeakPolarHBondContact CA-O 3Å; Y198-K215 WeakPolarHBondContact CD2-O 3.37Å; Y198-K215 PolarHBondContact N-O 3.43Å; Y198-K215 WeakPolarHBondContact O-CA 3.31Å; Y198-K215 VanDerWaalsContact O-CB 3.25Å; Y198-K215 WeakPolarHBondContact O-CB 3.46Å; L213-K215 PolarHBondContact O-N 2.86Å
216	D	92.4	Very high	94.9	Very high	80 Å²	80	53.6 Å²	53.6	43%	0.428	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.6	-172.5	-67.5	-78.3	0	0	0	112.1	K195 N214	K195-D216 WeakPolarHBondContact CE-OD1 3.33Å; K195-D216 IonicContact NZ-OD1 3.95Å; K195-D216 PolarHBondContact NZ-OD1 2.71Å; N214-D216 PolarHBondContact O-N 3.44Å; N214-D216 PolarHBondContact OD1-N 3.14Å
217	T	95.1	Very high	95.1	Very high	43 Å²	43	49.8 Å²	49.8	26%	0.264	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-18.4	-176.1	69.1	0	0	0	0	115.4	K180 N214 E219	K180-T217 WeakPolarHBondContact CE-O 3.22Å; K180-T217 PolarHBondContact NZ-O 3.47Å; N214-T217 WeakPolarHBondContact CB-OG1 3.16Å; N214-T217 PolarHBondContact ND2-OG1 3.13Å; N214-T217 PolarHBondContact O-N 3.33Å; T217-E219 VanDerWaalsContact C-N 3.3Å; T217-E219 WeakPolarHBondContact CB-OE2 3.32Å; T217-E219 PolarHBondContact OG1-N 3.4Å; T217-E219 PolarHBondContact OG1-OE2 2.87Å
218	G	95.6	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.			trans	78.9	7.8	-174.9	0	0	0	0	0	114.3	K180 I181 Y198 N214	K180-G218 CarbonylContact C-O 3.54Å; K180-G218 WeakPolarHBondContact CA-O 3.46Å; I181-G218 WeakPolarHBondContact CG1-O 3.5Å; I181-G218 PolarHBondContact N-O 3.1Å; Y198-G218 VanDerWaalsContact CD2-CA 3.49Å; N214-G218 PolarHBondContact O-N 2.96Å
219	E	97.9	Very high	95.6	Very high	40 Å²	40	44.3 Å²	44.3	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.3	179.8	-73.4	139.7	-172.1	0	0	111.8	L177 K180 N214 T217 Y221	L177-E219 HydrophobicContact CD1-CB 3.79Å; L177-E219 HydrophobicContact CD1-CG 3.99Å; K180-E219 HydrophobicContact CB-CG 4.16Å; K180-E219 HydrophobicContact CD-CG 3.84Å; K180-E219 HydrophobicContact CG-CG 3.98Å; K180-E219 IonicContact NZ-OE1 2.7Å; K180-E219 PolarHBondContact NZ-OE1 3.34Å; N214-E219 HydrophobicContact CB-CB 4.46Å; N214-E219 PolarHBondContact N-O 2.02Å; T217-E219 VanDerWaalsContact C-N 3.3Å; T217-E219 WeakPolarHBondContact CB-OE2 3.32Å; T217-E219 PolarHBondContact OG1-N 3.4Å; T217-E219 PolarHBondContact OG1-OE2 2.87Å; E219-Y221 HydrophobicContact CB-CD2 4.3Å; E219-Y221 HydrophobicContact CB-CE2 3.45Å; E219-Y221 VanDerWaalsContact CB-CE2 3.45Å; E219-Y221 PolarHBondContact OE2-OH 2.88Å
220	I	98.2	Very high	95.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128	178.8	-62.5	177.1	0	0	0	109.1	V178 M179 I181 F211 Y212 L213 V258 I260	V178-I220 HydrophobicContact CB-CG2 4.3Å; V178-I220 PolarHBondContact N-O 2.87Å; M179-I220 HydrophobicContact CG-CB 4.06Å; M179-I220 HydrophobicContact CG-CD1 3.98Å; M179-I220 HydrophobicContact CG-CG1 4.35Å; M179-I220 PolarHBondContact O-N 3.06Å; M179-I220 HydrophobicContact SD-CD1 4.05Å; I181-I220 HydrophobicContact CG2-CD1 4.15Å; F211-I220 HydrophobicContact CB-CG2 4.18Å; F211-I220 HydrophobicContact CD1-CG2 4.15Å; F211-I220 HydrophobicContact CG-CG2 4.31Å; Y212-I220 WeakPolarHBondContact O-CA 3.14Å; L213-I220 HydrophobicContact CB-CG1 4.47Å; L213-I220 HydrophobicContact CD1-CD1 4.44Å; L213-I220 HydrophobicContact CD1-CG1 3.68Å; I220-V258 HydrophobicContact CD1-CG1 4.08Å; I220-V258 HydrophobicContact CD1-CG2 4.38Å; I220-I260 HydrophobicContact CG2-CD1 4.18Å
221	Y	97.7	Very high	95.6	Very high	38 Å²	38	49.1 Å²	49.1	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155	-177.9	-61.4	-92.6	0	0	0	112	H175 T176 L177 F211 Y212 N214 E219	H175-Y221 AromaticContact ND1-CG 3.99Å; H175-Y221 WeakPolarHBondContact O-CD1 3.3Å; T176-Y221 CarbonylContact O-C 3.52Å; T176-Y221 VanDerWaalsContact O-CA 3.23Å; T176-Y221 WeakPolarHBondContact O-CA 3.39Å; L177-Y221 HydrophobicContact CB-CD1 4.1Å; L177-Y221 HydrophobicContact CB-CE1 3.9Å; L177-Y221 HydrophobicContact CD1-CD1 4.27Å; L177-Y221 HydrophobicContact CD1-CE1 3.84Å; L177-Y221 HydrophobicContact CD1-CE2 4.36Å; L177-Y221 HydrophobicContact CG-CE1 4.47Å; F211-Y221 CarbonylContact C-O 3.5Å; F211-Y221 WeakPolarHBondContact CA-O 3.35Å; Y212-Y221 AromaticContact CD1-CD2 3.94Å; Y212-Y221 HydrophobicContact CD1-CD2 3.94Å; Y212-Y221 HydrophobicContact CE1-CD2 4.29Å; Y212-Y221 PolarHBondContact N-O 2.94Å; Y212-Y221 PolarHBondContact O-N 2.92Å; N214-Y221 HydrophobicContact CB-CE2 4.26Å; E219-Y221 HydrophobicContact CB-CD2 4.3Å; E219-Y221 HydrophobicContact CB-CE2 3.45Å; E219-Y221 VanDerWaalsContact CB-CE2 3.45Å; E219-Y221 PolarHBondContact OE2-OH 2.88Å
222	T	97.2	Very high	95.5	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.3	165.2	59.9	0	0	0	0	111.4	V168 A173 H175 T176 V178 V210 L227	V168-T222 HydrophobicContact CG2-CG2 4.14Å; A173-T222 PolarHBondContact O-OG1 3.17Å; H175-T222 WeakPolarHBondContact CA-O 3.44Å; H175-T222 PolarHBondContact N-O 2.86Å; H175-T222 PolarHBondContact N-OG1 2.83Å; H175-T222 VanDerWaalsContact N-OG1 3.1Å; T176-T222 PolarHBondContact N-OG1 3.49Å; T176-T222 PolarHBondContact O-N 2.8Å; V178-T222 HydrophobicContact CG2-CG2 4.06Å; V210-T222 CarbonylContact O-C 3.55Å; T222-L227 HydrophobicContact CG2-CD1 3.73Å
223	T	95.3	Very high	95.5	Very high	31 Å²	31	48.6 Å²	48.6	19%	0.19	26%	0.263	C	S	.	.			trans	-90.7	-166.5	173.2	69	0	0	0	0	111.6	A174 P209 V210 V225	A174-T223 VanDerWaalsContact CA-O 3.28Å; A174-T223 WeakPolarHBondContact CA-O 3.2Å; A174-T223 WeakPolarHBondContact CB-O 3.36Å; P209-T223 WeakPolarHBondContact O-CG2 3.48Å; P209-T223 PolarHBondContact O-OG1 2.84Å; V210-T223 WeakPolarHBondContact CA-OG1 3.32Å; V210-T223 PolarHBondContact O-N 2.85Å; V210-T223 PolarHBondContact O-OG1 2.87Å; T223-V225 PolarHBondContact O-N 3.35Å; T223-V225 PolarHBondContact OG1-N 3.39Å
224	S	93.3	Very high	95.4	Very high	115 Å²	115	51.2 Å²	51.2	80%	0.804	28%	0.283	S	S	*	.	S	Bend	trans	-77.9	-2.2	173.5	59.5	0	0	0	0	113.9
225	V	93.6	Very high	95.4	Very high	53 Å²	53	49.7 Å²	49.7	32%	0.321	28%	0.275	S	S	.	.	S	Bend	trans	-87.7	127.1	169.9	-175	0	0	0	0	107.4	P208 V210 T223	P208-V225 HydrophobicContact CB-CG1 4.12Å; P208-V225 HydrophobicContact CG-CG1 3.95Å; V210-V225 HydrophobicContact CG1-CB 4.2Å; V210-V225 HydrophobicContact CG1-CG1 3.98Å; T223-V225 PolarHBondContact O-N 3.35Å; T223-V225 PolarHBondContact OG1-N 3.39Å
226	T	92.9	Very high	95.5	Very high	91 Å²	91	47 Å²	47	56%	0.558	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-66.6	139.9	175.2	41.4	0	0	0	0	110.6
227	L	95.1	Very high	95.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-79.5	144.6	166.8	-69.8	163.1	0	0	0	109.5	V168 L171 V210 F211 T222 Y235 I262	V168-L227 HydrophobicContact CG1-CD1 3.62Å; V168-L227 HydrophobicContact CG2-CD1 4.44Å; L171-L227 PolarHBondContact N-O 2.91Å; V210-L227 HydrophobicContact CB-CD2 3.65Å; V210-L227 HydrophobicContact CB-CG 4.45Å; V210-L227 HydrophobicContact CG1-CD2 4Å; V210-L227 HydrophobicContact CG2-CD2 3.72Å; F211-L227 HydrophobicContact CE1-CD1 4Å; F211-L227 HydrophobicContact CE1-CD2 4.4Å; F211-L227 HydrophobicContact CZ-CD1 4.23Å; F211-L227 HydrophobicContact CZ-CD2 3.99Å; T222-L227 HydrophobicContact CG2-CD1 3.73Å; L227-Y235 HydrophobicContact CD2-CE2 3.81Å; L227-I262 HydrophobicContact CD1-CD1 4.05Å; L227-I262 HydrophobicContact CD2-CD1 3.85Å; L227-I262 HydrophobicContact CG-CD1 4.38Å
228	D	95.8	Very high	95.8	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	24%	0.242	S	C	.	.			trans	-147	117.2	-170.8	176.7	-46.4	0	0	0	106.2	E230 E231 H232	D228-E230 PolarHBondContact OD1-N 3.2Å; D228-E231 HydrophobicContact CB-CB 4.28Å; D228-E231 WeakPolarHBondContact OD1-CB 3.36Å; D228-E231 PolarHBondContact OD1-N 3.38Å; D228-H232 PolarHBondContact O-N 3.29Å; D228-H232 VanDerWaalsContact O-N 3.07Å
229	R	96.8	Very high	95.8	Very high	27 Å²	27	42.5 Å²	42.5	10%	0.102	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-25.8	-172.7	-167.7	-143.7	53.2	64.2	-10.8	111.6	E170 E231 S233 I262 D264 A298 D299	E170-R229 WeakPolarHBondContact OE2-CB 3.06Å; E170-R229 PolarHBondContact OE2-N 3.21Å; R229-E231 VanDerWaalsContact C-N 3.35Å; R229-S233 PolarHBondContact O-N 2.74Å; R229-I262 HydrophobicContact CB-CB 4.41Å; R229-I262 HydrophobicContact CB-CG2 3.9Å; R229-I262 HydrophobicContact CG-CB 4.25Å; R229-I262 HydrophobicContact CG-CG2 4.23Å; R229-D264 WeakPolarHBondContact CD-OD1 3.33Å; R229-D264 IonicContact CZ-OD1 2.7Å; R229-D264 IonicContact NE-OD1 2.71Å; R229-D264 PolarHBondContact NE-OD1 2.86Å; R229-D264 IonicContact NH2-OD1 2.66Å; R229-A298 PolarHBondContact NH2-O 3.39Å; R229-D299 VanDerWaalsContact NH2-CA 3.33Å
230	E	95.7	Very high	95.6	Very high	60 Å²	60	41 Å²	41	28%	0.28	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-35.1	173	-72.4	66.6	-127.9	0	0	111.6	D228 N268 A298	D228-E230 PolarHBondContact OD1-N 3.2Å; E230-N268 VanDerWaalsContact CD-ND2 3.32Å; E230-N268 PolarHBondContact OE2-ND2 2.03Å; E230-A298 HydrophobicContact CG-CB 3.88Å
231	E	93.9	Very high	95.4	Very high	114 Å²	114	41 Å²	41	53%	0.533	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-54.5	169.7	-152.8	-158.9	-177.8	0	0	111	D228 R229	D228-E231 HydrophobicContact CB-CB 4.28Å; D228-E231 WeakPolarHBondContact OD1-CB 3.36Å; D228-E231 PolarHBondContact OD1-N 3.38Å; R229-E231 VanDerWaalsContact C-N 3.35Å
232	H	94.6	Very high	95.1	Very high	52 Å²	52	40.4 Å²	40.4	24%	0.241	23%	0.232	C	C	.	.			trans	-148.9	94.7	-172.5	-64	107.1	0	0	0	113.8	P205 D228 S234 Y235 I262	P205-H232 HydrophobicContact CG-CB 4.39Å; D228-H232 PolarHBondContact O-N 3.29Å; D228-H232 VanDerWaalsContact O-N 3.07Å; H232-S234 VanDerWaalsContact C-N 3.3Å; H232-S234 PolarHBondContact O-N 2.83Å; H232-Y235 HydrophobicContact CB-CE1 4.45Å; H232-Y235 HydrophobicContact CB-CE2 3.93Å; H232-Y235 WeakPolarHBondContact O-CE2 3.22Å; H232-I262 WeakPolarHBondContact O-CG1 3.41Å
233	S	95.2	Very high	94.7	Very high	56 Å²	56	41.6 Å²	41.6	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	-69	-15.4	-178.6	63.4	0	0	0	0	116.3	R229 I262	R229-S233 PolarHBondContact O-N 2.74Å; S233-I262 PolarHBondContact O-N 2.72Å
234	S	95.7	Very high	94.1	Very high	71 Å²	71	40.8 Å²	40.8	50%	0.497	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.8	177.8	63.6	0	0	0	0	112.7	H232 I260	H232-S234 VanDerWaalsContact C-N 3.3Å; H232-S234 PolarHBondContact O-N 2.83Å; S234-I260 WeakPolarHBondContact CA-O 3.01Å
235	Y	96.5	Very high	93.5	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.4	178.1	-66.4	-102.6	0	0	0	110.3	L203 E204 P205 V210 F211 L227 H232 I260 I262	L203-Y235 HydrophobicContact CD1-CD1 4.07Å; E204-Y235 WeakPolarHBondContact O-CA 3.29Å; P205-Y235 VanDerWaalsContact CD-CD1 3.49Å; P205-Y235 HydrophobicContact CG-CD1 3.79Å; P205-Y235 HydrophobicContact CG-CE1 3.5Å; V210-Y235 HydrophobicContact CG2-CD1 3.95Å; V210-Y235 HydrophobicContact CG2-CE1 3.42Å; V210-Y235 VanDerWaalsContact CG2-CE1 3.42Å; V210-Y235 HydrophobicContact CG2-CE2 4.33Å; F211-Y235 HydrophobicContact CE2-CD1 4.08Å; F211-Y235 AromaticContact CE2-CD2 3.91Å; F211-Y235 HydrophobicContact CE2-CD2 3.91Å; F211-Y235 AromaticContact CE2-CG 3.67Å; F211-Y235 HydrophobicContact CE2-CG 3.67Å; F211-Y235 HydrophobicContact CZ-CD2 4.25Å; F211-Y235 HydrophobicContact CZ-CG 4.45Å; L227-Y235 HydrophobicContact CD2-CE2 3.81Å; H232-Y235 HydrophobicContact CB-CE1 4.45Å; H232-Y235 HydrophobicContact CB-CE2 3.93Å; H232-Y235 WeakPolarHBondContact O-CE2 3.22Å; Y235-I260 PolarHBondContact N-O 2.95Å; Y235-I260 PolarHBondContact O-N 2.88Å; Y235-I262 HydrophobicContact CD2-CD1 3.87Å; Y235-I262 HydrophobicContact CD2-CG1 3.96Å; Y235-I262 HydrophobicContact CE2-CD1 3.87Å; Y235-I262 HydrophobicContact CE2-CG1 3.78Å
236	T	97.1	Very high	92.8	Very high	45 Å²	45	38.5 Å²	38.5	28%	0.276	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.2	172.1	-59.5	0	0	0	0	109.8	L203 E204 V258 Q259	L203-T236 CarbonylContact C-O 3.59Å; L203-T236 WeakPolarHBondContact CA-O 3.4Å; E204-T236 PolarHBondContact N-O 2.97Å; E204-T236 PolarHBondContact O-N 3.28Å; T236-V258 WeakPolarHBondContact CA-O 3.42Å; T236-Q259 HydrophobicContact CG2-CG 4.46Å
237	L	96.3	Very high	92.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.8	176.5	-64.1	68	0	0	0	109.2	I200 S202 L203 F211 V239 Q257 V258 I260	I200-L237 HydrophobicContact CD1-CD2 3.93Å; I200-L237 HydrophobicContact CG1-CD2 4.27Å; S202-L237 WeakPolarHBondContact O-CA 3.17Å; L203-L237 HydrophobicContact CD1-CD1 3.49Å; L203-L237 VanDerWaalsContact CD1-CD1 3.49Å; L203-L237 HydrophobicContact CD1-CD2 4.35Å; L203-L237 HydrophobicContact CD1-CG 3.53Å; F211-L237 HydrophobicContact CD2-CD1 4.2Å; L237-V239 HydrophobicContact CB-CG1 4.42Å; L237-Q257 CarbonylContact O-C 3.57Å; L237-Q257 WeakPolarHBondContact O-CA 3.24Å; L237-V258 HydrophobicContact CB-CB 4.14Å; L237-V258 PolarHBondContact N-O 3.24Å; L237-V258 PolarHBondContact O-N 2.88Å; L237-I260 HydrophobicContact CD1-CD1 3.76Å; L237-I260 HydrophobicContact CD1-CG1 4.23Å; L237-I260 HydrophobicContact CD2-CD1 4.49Å
238	T	96.6	Very high	91.6	Very high	29 Å²	29	44 Å²	44	18%	0.178	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128	159.8	-53	0	0	0	0	108.1	V201 S202 Q255	V201-T238 HydrophobicContact CB-CG2 4.23Å; V201-T238 WeakPolarHBondContact CB-O 3.43Å; V201-T238 PolarHBondContact N-O 2.04Å; S202-T238 PolarHBondContact N-O 3.05Å; S202-T238 PolarHBondContact O-N 2.92Å; S202-T238 WeakPolarHBondContact OG-CB 3.31Å; S202-T238 PolarHBondContact OG-OG1 2.68Å; S202-T238 VanDerWaalsContact OG-OG1 3.05Å; T238-Q255 HydrophobicContact CG2-CB 4.14Å
239	V	96.5	Very high	90.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.1	-179.3	-65.8	0	0	0	0	111.1	F159 I181 R199 I200 L213 L237 Q255 A256 V258	F159-V239 HydrophobicContact CE1-CG2 4.08Å; F159-V239 HydrophobicContact CZ-CB 4.37Å; F159-V239 HydrophobicContact CZ-CG2 3.83Å; I181-V239 HydrophobicContact CD1-CB 4.05Å; I181-V239 HydrophobicContact CD1-CG1 4.14Å; I181-V239 HydrophobicContact CD1-CG2 3.84Å; R199-V239 CarbonylContact O-C 3.46Å; R199-V239 VanDerWaalsContact O-CA 3.29Å; R199-V239 WeakPolarHBondContact O-CA 3.43Å; I200-V239 HydrophobicContact CG1-CG1 4.44Å; L213-V239 HydrophobicContact CD2-CG1 4.12Å; L237-V239 HydrophobicContact CB-CG1 4.42Å; V239-Q255 CarbonylContact O-C 3.37Å; V239-Q255 WeakPolarHBondContact O-CA 3.09Å; V239-A256 HydrophobicContact CG2-CB 4.18Å; V239-A256 WeakPolarHBondContact CG2-O 3.36Å; V239-A256 PolarHBondContact N-O 2.91Å; V239-A256 PolarHBondContact O-N 2.89Å; V239-V258 HydrophobicContact CG1-CG2 3.94Å; V239-V258 HydrophobicContact CG2-CG2 3.81Å
240	E	94.5	Very high	90.1	Very high	9 Å²	9	51.3 Å²	51.3	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153.2	171.2	66.7	174.8	-158.9	0	0	110.7	R199 V201 R242 V253 Q255	R199-E240 HydrophobicContact CB-CG 3.85Å; R199-E240 WeakPolarHBondContact CD-OE1 3.44Å; R199-E240 HydrophobicContact CG-CG 4.21Å; R199-E240 PolarHBondContact N-O 2.79Å; R199-E240 PolarHBondContact O-N 3.11Å; V201-E240 HydrophobicContact CG2-CB 3.68Å; V201-E240 HydrophobicContact CG2-CG 3.62Å; E240-R242 VanDerWaalsContact CD-NE 3.25Å; E240-R242 IonicContact OE1-CZ 2.67Å; E240-R242 IonicContact OE1-NE 2.62Å; E240-R242 PolarHBondContact OE1-NE 2.76Å; E240-R242 IonicContact OE1-NH2 3.16Å; E240-R242 PolarHBondContact OE1-NH2 3.11Å; E240-R242 IonicContact OE2-CZ 2.68Å; E240-R242 IonicContact OE2-NE 3.08Å; E240-R242 PolarHBondContact OE2-NE 3.32Å; E240-R242 IonicContact OE2-NH2 2.73Å; E240-R242 PolarHBondContact OE2-NH2 3.05Å; E240-V253 HydrophobicContact CB-CG2 4.03Å; E240-Q255 HydrophobicContact CB-CG 4.03Å
241	A	93.9	Very high	89.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138	169.6	0	0	0	0	0	108.6	P157 F159 A183 I196 Y198	P157-A241 HydrophobicContact CB-CB 3.91Å; F159-A241 HydrophobicContact CE1-CB 4.18Å; F159-A241 HydrophobicContact CE2-CB 3.88Å; F159-A241 HydrophobicContact CZ-CB 3.65Å; A183-A241 HydrophobicContact CB-CB 4.11Å; I196-A241 HydrophobicContact CG2-CB 3.99Å; Y198-A241 HydrophobicContact CD1-CB 4.25Å; Y198-A241 HydrophobicContact CE1-CB 4.41Å
242	R	90.8	Very high	88.5	Confident	24 Å²	24	54.6 Å²	54.6	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.6	177.9	-63.1	-169.9	-178.3	-97.8	-6.1	111.3	I196 S197 E240 T249 K251 V253	I196-R242 CarbonylContact C-O 3.55Å; I196-R242 WeakPolarHBondContact CA-O 3.46Å; S197-R242 PolarHBondContact N-O 3.26Å; S197-R242 PolarHBondContact O-N 2.74Å; E240-R242 VanDerWaalsContact CD-NE 3.25Å; E240-R242 IonicContact OE1-CZ 2.67Å; E240-R242 IonicContact OE1-NE 2.62Å; E240-R242 PolarHBondContact OE1-NE 2.76Å; E240-R242 IonicContact OE1-NH2 3.16Å; E240-R242 PolarHBondContact OE1-NH2 3.11Å; E240-R242 IonicContact OE2-CZ 2.68Å; E240-R242 IonicContact OE2-NE 3.08Å; E240-R242 PolarHBondContact OE2-NE 3.32Å; E240-R242 IonicContact OE2-NH2 2.73Å; E240-R242 PolarHBondContact OE2-NH2 3.05Å; R242-T249 PolarHBondContact NH1-O 3.3Å; R242-K251 PolarHBondContact NH1-O 2.82Å; R242-V253 HydrophobicContact CG-CG1 4.29Å; R242-V253 HydrophobicContact CG-CG2 4.14Å
243	D	87.8	Confident	88	Confident	28 Å²	28	53.1 Å²	53.1	15%	0.15	31%	0.307	C	S	.	.			trans	-71.2	-177.9	175.3	48.9	90.4	0	0	0	113.7	N153 P157 N193 N245 G246	N153-D243 PolarHBondContact OD1-OD1 3.29Å; P157-D243 HydrophobicContact CG-CB 4.06Å; N193-D243 WeakPolarHBondContact O-CB 3.48Å; D243-N245 PolarHBondContact O-N 2.91Å; D243-G246 PolarHBondContact O-N 3.07Å; D243-G246 VanDerWaalsContact O-N 3.08Å
244	G	84.2	Confident	87.5	Confident	14 Å²	14	54.4 Å²	54.4	14%	0.144	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-114.7	162.8	0	0	0	0	0	114.6	L192	L192-G244 WeakPolarHBondContact O-CA 3.48Å; L192-G244 PolarHBondContact O-N 2.91Å
245	N	80.2	Confident	87.4	Confident	93 Å²	93	55.9 Å²	55.9	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.2	178.1	57.6	7	0	0	0	112.7	D243 E247	D243-N245 PolarHBondContact O-N 2.91Å; N245-E247 VanDerWaalsContact C-N 3.33Å; N245-E247 WeakPolarHBondContact ND2-CG 3.33Å; N245-E247 PolarHBondContact ND2-OE1 2.84Å; N245-E247 PolarHBondContact ND2-OE2 2.83Å; N245-E247 VanDerWaalsContact OD1-CB 3.3Å; N245-E247 WeakPolarHBondContact OD1-CB 3.48Å; N245-E247 WeakPolarHBondContact OD1-CG 3Å; N245-E247 PolarHBondContact OD1-N 2.57Å
246	G	78.2	Confident	87.4	Confident	27 Å²	27	56 Å²	56	28%	0.278	31%	0.306	S	S	.	.			trans	71.5	21.2	-173.3	0	0	0	0	0	114.4	D243	D243-G246 PolarHBondContact O-N 3.07Å; D243-G246 VanDerWaalsContact O-N 3.08Å
247	E	83.5	Confident	87.4	Confident	127 Å²	127	57.9 Å²	57.9	59%	0.593	31%	0.312	S	S	*	.			trans	-68.8	131.4	173.4	-78.3	174.4	168.6	0	0	111.3	N245 T249	N245-E247 VanDerWaalsContact C-N 3.33Å; N245-E247 WeakPolarHBondContact ND2-CG 3.33Å; N245-E247 PolarHBondContact ND2-OE1 2.84Å; N245-E247 PolarHBondContact ND2-OE2 2.83Å; N245-E247 VanDerWaalsContact OD1-CB 3.3Å; N245-E247 WeakPolarHBondContact OD1-CB 3.48Å; N245-E247 WeakPolarHBondContact OD1-CG 3Å; N245-E247 PolarHBondContact OD1-N 2.57Å; E247-T249 PolarHBondContact O-N 3.44Å
248	V	80.2	Confident	87.5	Confident	81 Å²	81	57.9 Å²	57.9	49%	0.491	31%	0.312	S	S	.	.			trans	-76.8	117.6	172.7	177	0	0	0	0	108.5
249	T	80.9	Confident	87.5	Confident	67 Å²	67	60.5 Å²	60.5	41%	0.411	32%	0.322	S	S	.	.			trans	-122.5	162.8	178.9	55.9	0	0	0	0	109.6	R242 E247 K251	R242-T249 PolarHBondContact NH1-O 3.3Å; E247-T249 PolarHBondContact O-N 3.44Å; T249-K251 PolarHBondContact O-N 2.87Å
250	D	79.7	Confident	87.6	Confident	177 Å²	177	60.6 Å²	60.6	95%	0.947	32%	0.322	S	S	*	.	S	Bend	trans	-66.9	1.1	177.1	-53.7	-53.5	0	0	0	113.7
251	K	77.2	Confident	87.7	Confident	122 Å²	122	66.1 Å²	66.1	53%	0.53	34%	0.343	S	S	.	.	S	Bend	trans	-61.6	125	166.5	-75.5	-174.9	175	-173.7	0	108.9	R242 T249	R242-K251 PolarHBondContact NH1-O 2.82Å; T249-K251 PolarHBondContact O-N 2.87Å
252	P	78.1	Confident	87.9	Confident	122 Å²	122	66.1 Å²	66.1	79%	0.792	34%	0.343	S	S	*	.			trans	-62.2	143.5	162	30.3	-33.8	0	0	0	108.7
253	V	84.2	Confident	88.2	Confident	20 Å²	20	68 Å²	68	12%	0.121	35%	0.354	C	S	.	.			trans	-135.6	157.5	176	-64.4	0	0	0	0	109	E156 E240 R242	E156-V253 WeakPolarHBondContact OE2-CA 3.37Å; E240-V253 HydrophobicContact CB-CG2 4.03Å; R242-V253 HydrophobicContact CG-CG1 4.29Å; R242-V253 HydrophobicContact CG-CG2 4.14Å
254	K	85.7	Confident	88.6	Confident	84 Å²	84	67.8 Å²	67.8	37%	0.365	35%	0.353	S	S	.	.			trans	-60.6	141	175.9	-67.3	-174.3	-177.1	76.1	0	112.3	E156 V158	E156-K254 VanDerWaalsContact CD-NZ 3.29Å; E156-K254 IonicContact OE1-NZ 3.37Å; E156-K254 PolarHBondContact OE1-NZ 2.94Å; E156-K254 PolarHBondContact OE2-N 2.64Å; V158-K254 HydrophobicContact CB-CD 4.28Å; V158-K254 HydrophobicContact CG1-CD 3.88Å; V158-K254 HydrophobicContact CG2-CD 4.02Å
255	Q	93.9	Very high	89.2	Confident	102 Å²	102	68 Å²	68	48%	0.477	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.8	178.4	-66.5	-179	-4.8	0	0	109.8	T238 V239 E240	T238-Q255 HydrophobicContact CG2-CB 4.14Å; V239-Q255 CarbonylContact O-C 3.37Å; V239-Q255 WeakPolarHBondContact O-CA 3.09Å; E240-Q255 HydrophobicContact CB-CG 4.03Å
256	A	95.5	Very high	90	Very high	4 Å²	4	63.8 Å²	63.8	3%	0.033	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	161.6	173.5	0	0	0	0	0	110.1	F159 D162 F164 V239	F159-A256 HydrophobicContact CB-CB 4.03Å; F159-A256 HydrophobicContact CD1-CB 4.13Å; F159-A256 HydrophobicContact CD2-CB 3.53Å; F159-A256 HydrophobicContact CE1-CB 4.5Å; F159-A256 HydrophobicContact CE2-CB 3.96Å; F159-A256 HydrophobicContact CG-CB 3.62Å; F159-A256 HydrophobicContact CZ-CB 4.41Å; D162-A256 WeakPolarHBondContact O-CA 3.21Å; D162-A256 WeakPolarHBondContact O-CB 3.12Å; F164-A256 HydrophobicContact CD2-CB 4.33Å; F164-A256 HydrophobicContact CE2-CB 4.05Å; V239-A256 HydrophobicContact CG2-CB 4.18Å; V239-A256 WeakPolarHBondContact CG2-O 3.36Å; V239-A256 PolarHBondContact N-O 2.91Å; V239-A256 PolarHBondContact O-N 2.89Å
257	Q	97.3	Very high	90.8	Very high	86 Å²	86	64.3 Å²	64.3	40%	0.402	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.9	171.7	-66	-173.3	3.9	0	0	111.4	D162 V163 F164 L237	D162-Q257 PolarHBondContact O-N 3.48Å; V163-Q257 CarbonylContact C-O 3.51Å; V163-Q257 WeakPolarHBondContact CA-O 3.36Å; V163-Q257 HydrophobicContact CG1-CB 4.35Å; V163-Q257 HydrophobicContact CG2-CB 4.36Å; F164-Q257 PolarHBondContact N-O 2.84Å; L237-Q257 CarbonylContact O-C 3.57Å; L237-Q257 WeakPolarHBondContact O-CA 3.24Å
258	V	98.1	Very high	91.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	168.6	-168.8	0	0	0	0	108.6	F164 M179 I181 I220 T236 L237 V239 I260	F164-V258 HydrophobicContact CB-CG1 4.19Å; F164-V258 HydrophobicContact CB-CG2 4.32Å; F164-V258 CarbonylContact O-C 3.5Å; F164-V258 WeakPolarHBondContact O-CA 3.34Å; M179-V258 HydrophobicContact CE-CG1 3.53Å; M179-V258 HydrophobicContact SD-CG1 3.29Å; M179-V258 WeakPolarHBondContact SD-CG1 3Å; I181-V258 HydrophobicContact CG2-CG2 3.74Å; I220-V258 HydrophobicContact CD1-CG1 4.08Å; I220-V258 HydrophobicContact CD1-CG2 4.38Å; T236-V258 WeakPolarHBondContact CA-O 3.42Å; L237-V258 HydrophobicContact CB-CB 4.14Å; L237-V258 PolarHBondContact N-O 3.24Å; L237-V258 PolarHBondContact O-N 2.88Å; V239-V258 HydrophobicContact CG1-CG2 3.94Å; V239-V258 HydrophobicContact CG2-CG2 3.81Å; V258-I260 HydrophobicContact CG1-CD1 4.4Å; V258-I260 HydrophobicContact CG1-CG1 4.02Å
259	Q	97.7	Very high	92.1	Very high	84 Å²	84	59.4 Å²	59.4	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.2	177	-64.4	175.7	2	0	0	108.7	V163 F164 V165 G166 T236	V163-Q259 HydrophobicContact CG1-CG 4.25Å; F164-Q259 PolarHBondContact O-N 3.38Å; V165-Q259 WeakPolarHBondContact CA-O 3.07Å; V165-Q259 HydrophobicContact CG1-CB 4.43Å; G166-Q259 PolarHBondContact N-O 2.83Å; G166-Q259 VanDerWaalsContact N-O 3.12Å; T236-Q259 HydrophobicContact CG2-CG 4.46Å
260	I	97.8	Very high	92.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.1	-178.3	-54.7	176.9	0	0	0	108.1	G166 V168 V178 M179 F211 I220 S234 Y235 L237 V258 I262	G166-I260 WeakPolarHBondContact O-CA 3.47Å; V168-I260 HydrophobicContact CG1-CG2 4.16Å; V178-I260 HydrophobicContact CG1-CD1 4.27Å; V178-I260 HydrophobicContact CG1-CG2 3.82Å; M179-I260 HydrophobicContact CE-CG1 4.3Å; F211-I260 HydrophobicContact CD1-CD1 4.24Å; F211-I260 HydrophobicContact CD2-CD1 3.94Å; F211-I260 HydrophobicContact CE1-CD1 4.09Å; F211-I260 HydrophobicContact CE1-CG2 4.29Å; F211-I260 HydrophobicContact CE2-CB 4.42Å; F211-I260 HydrophobicContact CE2-CD1 3.78Å; F211-I260 HydrophobicContact CE2-CG2 4.39Å; F211-I260 HydrophobicContact CG-CD1 4.19Å; F211-I260 HydrophobicContact CZ-CB 4.27Å; F211-I260 HydrophobicContact CZ-CD1 3.87Å; F211-I260 HydrophobicContact CZ-CG2 3.75Å; I220-I260 HydrophobicContact CG2-CD1 4.18Å; S234-I260 WeakPolarHBondContact CA-O 3.01Å; Y235-I260 PolarHBondContact N-O 2.95Å; Y235-I260 PolarHBondContact O-N 2.88Å; L237-I260 HydrophobicContact CD1-CD1 3.76Å; L237-I260 HydrophobicContact CD1-CG1 4.23Å; L237-I260 HydrophobicContact CD2-CD1 4.49Å; V258-I260 HydrophobicContact CG1-CD1 4.4Å; V258-I260 HydrophobicContact CG1-CG1 4.02Å; I260-I262 HydrophobicContact CG2-CD1 4.47Å
261	R	97.4	Very high	93.4	Very high	124 Å²	124	52.5 Å²	52.5	47%	0.468	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.5	171	179.7	171.3	-179.8	-179.3	-2.2	110.1	G166 S167 V168 L263 E300	G166-R261 PolarHBondContact O-N 3.2Å; S167-R261 WeakPolarHBondContact CA-O 2.96Å; S167-R261 VanDerWaalsContact CB-O 3.29Å; S167-R261 WeakPolarHBondContact CB-O 3.31Å; V168-R261 PolarHBondContact N-O 2.77Å; R261-L263 HydrophobicContact CG-CD2 4.37Å; R261-E300 IonicContact CZ-OE1 3.6Å; R261-E300 IonicContact NH2-OE1 2.81Å; R261-E300 PolarHBondContact NH2-OE1 3.07Å; R261-E300 IonicContact NH2-OE2 3.38Å; R261-E300 PolarHBondContact NH2-OE2 3.33Å
262	I	97.6	Very high	94.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.3	168.3	-50.2	-49	0	0	0	108	V168 E170 F211 L227 R229 H232 S233 Y235 I260	V168-I262 HydrophobicContact CG1-CD1 3.88Å; V168-I262 WeakPolarHBondContact O-CA 3.46Å; E170-I262 HydrophobicContact CB-CG2 3.64Å; F211-I262 HydrophobicContact CZ-CD1 4.31Å; L227-I262 HydrophobicContact CD1-CD1 4.05Å; L227-I262 HydrophobicContact CD2-CD1 3.85Å; L227-I262 HydrophobicContact CG-CD1 4.38Å; R229-I262 HydrophobicContact CB-CB 4.41Å; R229-I262 HydrophobicContact CB-CG2 3.9Å; R229-I262 HydrophobicContact CG-CB 4.25Å; R229-I262 HydrophobicContact CG-CG2 4.23Å; H232-I262 WeakPolarHBondContact O-CG1 3.41Å; S233-I262 PolarHBondContact O-N 2.72Å; Y235-I262 HydrophobicContact CD2-CD1 3.87Å; Y235-I262 HydrophobicContact CD2-CG1 3.96Å; Y235-I262 HydrophobicContact CE2-CD1 3.87Å; Y235-I262 HydrophobicContact CE2-CG1 3.78Å; I260-I262 HydrophobicContact CG2-CD1 4.47Å
263	L	96.7	Very high	94.5	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.335	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	178.4	-55.2	-180	0	0	0	110.3	V168 E170 R261	V168-L263 PolarHBondContact O-N 3.03Å; E170-L263 PolarHBondContact N-O 2.62Å; E170-L263 VanDerWaalsContact N-O 3.13Å; R261-L263 HydrophobicContact CG-CD2 4.37Å
264	D	97.3	Very high	94.4	Very high	24 Å²	24	50.8 Å²	50.8	13%	0.128	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.2	132	-177	-169.3	62.6	0	0	0	112.9	E170 R229 E300 S303 N305	E170-D264 WeakPolarHBondContact OE1-CA 3.43Å; R229-D264 WeakPolarHBondContact CD-OD1 3.33Å; R229-D264 IonicContact CZ-OD1 2.7Å; R229-D264 IonicContact NE-OD1 2.71Å; R229-D264 PolarHBondContact NE-OD1 2.86Å; R229-D264 IonicContact NH2-OD1 2.66Å; D264-E300 HydrophobicContact CB-CB 3.69Å; D264-E300 VanDerWaalsContact CG-N 3.29Å; D264-E300 WeakPolarHBondContact OD1-CB 3.39Å; D264-E300 PolarHBondContact OD1-N 3.04Å; D264-E300 WeakPolarHBondContact OD2-CB 3.49Å; D264-E300 PolarHBondContact OD2-N 3.09Å; D264-S303 PolarHBondContact OD2-OG 3.46Å; D264-N305 PolarHBondContact O-ND2 2.83Å; D264-N305 WeakPolarHBondContact OD2-CB 3.13Å; D264-N305 PolarHBondContact OD2-ND2 2.87Å
265	V	96.1	Very high	93.6	Very high	19 Å²	19	56.7 Å²	56.7	12%	0.115	28%	0.276	C	S	.	.			trans	-133.4	128.6	179	173.9	0	0	0	0	108.2	E169 E170 D267 H361	E169-V265 HydrophobicContact CB-CG2 4.23Å; E170-V265 HydrophobicContact CG-CB 3.82Å; E170-V265 HydrophobicContact CG-CG2 3.95Å; E170-V265 PolarHBondContact OE1-N 2.76Å; V265-D267 VanDerWaalsContact C-N 3.33Å; V265-D267 PolarHBondContact O-N 2.82Å; V265-H361 HydrophobicContact CG1-CB 3.64Å
266	N	96.7	Very high	92.7	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.286	C	S	.	.			trans	-62.3	87.8	-178.4	-177.2	-116	0	0	0	113.2	D299 N305 N356 F360 H361	N266-D299 VanDerWaalsContact CA-OD2 3.29Å; N266-D299 WeakPolarHBondContact CA-OD2 3.25Å; N266-D299 PolarHBondContact ND2-OD2 3.05Å; N266-N305 HydrophobicContact CB-CB 3.71Å; N266-N305 PolarHBondContact ND2-O 3.28Å; N266-N356 PolarHBondContact ND2-OD1 3.25Å; N266-N356 VanDerWaalsContact ND2-OD1 3.08Å; N266-F360 WeakPolarHBondContact OD1-CA 3.13Å; N266-F360 WeakPolarHBondContact OD1-CD1 3.43Å; N266-F360 PolarHBondContact OD1-N 3.01Å; N266-H361 WeakPolarHBondContact O-CB 3.27Å; N266-H361 PolarHBondContact O-N 2.8Å
267	D	95.8	Very high	92.4	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.203	29%	0.286	C	S	.	.			trans	-115.1	-19.4	-175.9	-176.2	-107.2	0	0	0	112.1	L171 V265 S363 I364	L171-D267 HydrophobicContact CD1-CB 4.04Å; L171-D267 VanDerWaalsContact CD1-OD2 3.24Å; L171-D267 WeakPolarHBondContact CD1-OD2 3.42Å; V265-D267 VanDerWaalsContact C-N 3.33Å; V265-D267 PolarHBondContact O-N 2.82Å; D267-S363 WeakPolarHBondContact OD2-CB 3.39Å; D267-S363 PolarHBondContact OD2-OG 2.98Å; D267-I364 VanDerWaalsContact O-CD1 3.27Å; D267-I364 WeakPolarHBondContact O-CD1 3.47Å; D267-I364 WeakPolarHBondContact O-CG2 3.27Å
268	N	95	Very high	92	Very high	45 Å²	45	58.2 Å²	58.2	24%	0.241	29%	0.29	C	S	.	.	S	Bend	trans	-86.7	174.1	169.9	-61.7	-83.4	0	0	0	111.3	E230 A298 D299 I364	E230-N268 VanDerWaalsContact CD-ND2 3.32Å; E230-N268 PolarHBondContact OE2-ND2 2.03Å; N268-A298 HydrophobicContact CB-CB 4.25Å; N268-D299 VanDerWaalsContact CB-OD1 3.26Å; N268-D299 WeakPolarHBondContact CB-OD1 3.45Å; N268-D299 PolarHBondContact N-OD1 3.18Å; N268-D299 PolarHBondContact ND2-OD1 3.38Å; N268-I364 VanDerWaalsContact O-CD1 3.24Å; N268-I364 WeakPolarHBondContact O-CD1 3.32Å
269	I	94.8	Very high	91.7	Very high	60 Å²	60	58.5 Å²	58.5	31%	0.308	29%	0.293	S	S	.	.			trans	-132.5	129.5	-180	-64.2	166.4	0	0	0	107.2	V271 F360 I364 Y368	I269-V271 WeakPolarHBondContact O-CG2 3.33Å; I269-V271 PolarHBondContact O-N 3.44Å; I269-F360 HydrophobicContact CB-CE1 4.47Å; I269-F360 HydrophobicContact CG1-CD1 4.47Å; I269-F360 HydrophobicContact CG1-CE1 4.02Å; I269-F360 HydrophobicContact CG2-CE1 4.47Å; I269-I364 HydrophobicContact CD1-CD1 4.37Å; I269-I364 HydrophobicContact CG1-CD1 3.77Å; I269-Y368 HydrophobicContact CD1-CD2 4.06Å; I269-Y368 HydrophobicContact CG1-CD2 4.21Å; I269-Y368 HydrophobicContact CG2-CD2 3.67Å; I269-Y368 HydrophobicContact CG2-CE2 3.84Å
270	P	95.3	Very high	91.5	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.071	30%	0.302	C	S	.	.			trans	-69.5	127.3	-174.1	23.5	-32	0	0	0	110.5	V295 F296 D297 V354 N356	P270-V295 HydrophobicContact CB-CB 4.45Å; P270-F296 WeakPolarHBondContact CA-O 3.46Å; P270-D297 VanDerWaalsContact CA-OD2 3.28Å; P270-D297 WeakPolarHBondContact CA-OD2 3.14Å; P270-D297 HydrophobicContact CB-CB 4.34Å; P270-D297 WeakPolarHBondContact CB-OD2 3.33Å; P270-D297 VanDerWaalsContact CD-OD2 3.24Å; P270-D297 WeakPolarHBondContact CD-OD2 3.41Å; P270-D297 VanDerWaalsContact N-OD2 3.14Å; P270-V354 HydrophobicContact CB-CG1 3.93Å; P270-V354 HydrophobicContact CG-CG1 3.7Å; P270-N356 WeakPolarHBondContact CD-OD1 3.09Å
271	V	92.6	Very high	91.4	Very high	88 Å²	88	60.3 Å²	60.3	53%	0.533	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.6	-176.6	-174.6	0	0	0	0	109.8	I269 E273 V295 F296	I269-V271 WeakPolarHBondContact O-CG2 3.33Å; I269-V271 PolarHBondContact O-N 3.44Å; V271-E273 PolarHBondContact O-N 2.95Å; V271-V295 CarbonylContact O-C 3.56Å; V271-V295 WeakPolarHBondContact O-CA 3.47Å; V271-F296 PolarHBondContact N-O 2.73Å; V271-F296 PolarHBondContact O-N 3.45Å
272	V	92.5	Very high	91.2	Very high	23 Å²	23	57.2 Å²	57.2	14%	0.139	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.9	171.2	179.4	0	0	0	0	109.7	N274 L277 I293 K294 V295 V354 I373	V272-N274 WeakPolarHBondContact CG1-O 3.32Å; V272-L277 HydrophobicContact CG1-CD1 4.29Å; V272-I293 HydrophobicContact CG1-CG2 3.98Å; V272-I293 HydrophobicContact CG2-CG2 3.86Å; V272-K294 WeakPolarHBondContact CA-O 3.43Å; V272-V295 HydrophobicContact CG2-CG1 4.05Å; V272-V354 HydrophobicContact CG2-CG2 3.93Å; V272-I373 HydrophobicContact CG2-CD1 3.81Å
273	E	87.6	Confident	91	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.542	30%	0.295	S	S	.	.	S	Bend	trans	-66.9	-41.2	-179.1	-61	-171.5	148.4	0	0	112	V271 K294 F296	V271-E273 PolarHBondContact O-N 2.95Å; E273-K294 HydrophobicContact CG-CG 4.2Å; E273-K294 PolarHBondContact N-O 3.03Å; E273-K294 WeakPolarHBondContact OE2-CG 3.4Å; E273-F296 HydrophobicContact CG-CB 4.43Å
274	N	81.2	Confident	90.8	Very high	90 Å²	90	58 Å²	58	48%	0.481	30%	0.298	S	S	.	.			trans	-89.5	111.7	-174.8	-74.4	-29.1	0	0	0	112.3	V272 V276 L277	V272-N274 WeakPolarHBondContact CG1-O 3.32Å; N274-V276 PolarHBondContact O-N 2.92Å; N274-L277 HydrophobicContact CB-CD2 3.83Å
275	K	68.3	Low	90.5	Very high	207 Å²	207	60 Å²	60	90%	0.9	31%	0.307	S	S	*	.	S	Bend	trans	-72.6	-9.8	-179.5	-65.5	-176.8	179.7	177.7	0	115.3
276	V	76.4	Confident	90.4	Very high	112 Å²	112	61.8 Å²	61.8	68%	0.679	32%	0.318	S	S	*	.	S	Bend	trans	-139.6	123.6	173.1	-176.1	0	0	0	0	106.8	N274 E278	N274-V276 PolarHBondContact O-N 2.92Å; V276-E278 HydrophobicContact CG1-CG 4.26Å
277	L	87.4	Confident	90.3	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.6	176.3	-65.7	166.4	0	0	0	107.8	V272 N274 I293 I373 I375 K376	V272-L277 HydrophobicContact CG1-CD1 4.29Å; N274-L277 HydrophobicContact CB-CD2 3.83Å; L277-I293 HydrophobicContact CD1-CG1 4.2Å; L277-I293 HydrophobicContact CD1-CG2 3.96Å; L277-I373 HydrophobicContact CD1-CG2 3.88Å; L277-I375 HydrophobicContact CB-CB 4.4Å; L277-I375 HydrophobicContact CB-CD1 4.44Å; L277-I375 HydrophobicContact CB-CG1 4.02Å; L277-I375 HydrophobicContact CB-CG2 4.11Å; L277-I375 HydrophobicContact CD1-CD1 3.78Å; L277-I375 HydrophobicContact CD1-CG1 3.88Å; L277-K376 PolarHBondContact O-N 3.03Å
278	E	90.3	Very high	90.2	Very high	105 Å²	105	67.9 Å²	67.9	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	168.5	-59.9	-157.9	145.9	0	0	109.1	V276 K376 K378	V276-E278 HydrophobicContact CG1-CG 4.26Å; E278-K376 CarbonylContact C-O 3.55Å; E278-K376 VanDerWaalsContact CA-O 3.29Å; E278-K376 WeakPolarHBondContact CA-O 3.44Å; E278-K376 HydrophobicContact CG-CB 4.38Å; E278-K378 IonicContact OE1-NZ 3.86Å; E278-K378 PolarHBondContact OE1-NZ 3.39Å; E278-K378 IonicContact OE2-NZ 3.58Å; E278-K378 PolarHBondContact OE2-NZ 2.87Å
279	G	91	Very high	90.2	Very high	6 Å²	6	70.3 Å²	70.3	6%	0.062	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	160.8	166.1	0	0	0	0	0	110.7	V290 K376 V377 K378	G279-V290 WeakPolarHBondContact CA-O 3.36Å; G279-K376 PolarHBondContact N-O 2.9Å; G279-V377 WeakPolarHBondContact O-CA 3.1Å; G279-K378 PolarHBondContact O-N 3.4Å; G279-K378 VanDerWaalsContact O-N 3.08Å
280	M	93.3	Very high	90.2	Very high	120 Å²	120	68 Å²	68	59%	0.591	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.3	172.4	-170.4	-179.5	75.3	0	0	108.9	K378 K380	M280-K378 WeakPolarHBondContact CA-O 3.33Å; M280-K380 HydrophobicContact CE-CD 4.17Å; M280-K380 HydrophobicContact CG-CB 4.35Å; M280-K380 HydrophobicContact SD-CB 4.38Å
281	V	95.3	Very high	90.2	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.024	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.7	175.5	-60	0	0	0	0	109.2	V290 L336 V340 V377 K378 V379 K380	V281-V290 HydrophobicContact CG1-CB 4.22Å; V281-V290 HydrophobicContact CG1-CG1 3.83Å; V281-V290 HydrophobicContact CG1-CG2 3.72Å; V281-L336 HydrophobicContact CB-CD2 4.15Å; V281-L336 HydrophobicContact CG1-CD2 4.17Å; V281-L336 HydrophobicContact CG2-CD2 4.42Å; V281-V340 HydrophobicContact CG2-CG1 4.13Å; V281-V377 HydrophobicContact CG1-CG1 3.98Å; V281-V377 HydrophobicContact CG2-CG1 4Å; V281-K378 PolarHBondContact N-O 3.32Å; V281-V379 HydrophobicContact CG2-CB 4.4Å; V281-V379 HydrophobicContact CG2-CG1 4.48Å; V281-V379 HydrophobicContact CG2-CG2 3.89Å; V281-V379 CarbonylContact O-C 3.57Å; V281-V379 WeakPolarHBondContact O-CA 3.01Å; V281-K380 WeakPolarHBondContact O-CB 3.27Å; V281-K380 PolarHBondContact O-N 2.73Å
282	E	94.1	Very high	90.2	Very high	60 Å²	60	69 Å²	69	28%	0.28	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	147.5	165	-69.5	178.8	170.4	0	0	108.7	Q285 K380 V382	E282-Q285 HydrophobicContact CB-CG 4.31Å; E282-Q285 PolarHBondContact OE2-NE2 3.3Å; E282-K380 HydrophobicContact CG-CB 4.26Å; E282-K380 HydrophobicContact CG-CD 3.91Å; E282-K380 HydrophobicContact CG-CG 4.37Å; E282-K380 IonicContact OE1-NZ 2.85Å; E282-K380 PolarHBondContact OE1-NZ 3.2Å; E282-V382 HydrophobicContact CB-CG2 4.06Å; E282-V382 HydrophobicContact CG-CG2 4.41Å
283	E	93.9	Very high	90.3	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.019	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	161.2	174.2	69	-175.8	138.8	0	0	112.3	Q285 V340 Y342 V379 K380 N381 V382	E283-Q285 PolarHBondContact O-N 3.48Å; E283-Q285 VanDerWaalsContact O-N 3.15Å; E283-V340 VanDerWaalsContact CA-O 3.31Å; E283-V340 WeakPolarHBondContact CA-O 3.37Å; E283-V340 WeakPolarHBondContact CB-O 3.34Å; E283-Y342 WeakPolarHBondContact OE2-CB 3.35Å; E283-Y342 PolarHBondContact OE2-N 3.27Å; E283-V379 HydrophobicContact CB-CG1 3.94Å; E283-K380 PolarHBondContact N-O 3.04Å; E283-N381 WeakPolarHBondContact OE1-CA 3.2Å; E283-N381 PolarHBondContact OE1-ND2 2.82Å; E283-V382 HydrophobicContact CG-CB 3.94Å; E283-V382 HydrophobicContact CG-CG2 4.12Å; E283-V382 PolarHBondContact OE1-N 3.48Å
284	N	91.4	Very high	90.6	Very high	75 Å²	75	65.1 Å²	65.1	40%	0.401	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	31	-176.8	-61.9	-65.1	0	0	0	114.3	V340 E384	N284-V340 PolarHBondContact N-O 3.01Å; N284-E384 PolarHBondContact ND2-OE1 3.12Å
285	Q	91.9	Very high	91.3	Very high	68 Å²	68	61.1 Å²	61.1	32%	0.318	30%	0.304	S	S	.	.			trans	-118.1	151.3	172.5	-69.8	-175.9	11.9	0	0	111.5	E282 E283 V288 L336	E282-Q285 HydrophobicContact CB-CG 4.31Å; E282-Q285 PolarHBondContact OE2-NE2 3.3Å; E283-Q285 PolarHBondContact O-N 3.48Å; E283-Q285 VanDerWaalsContact O-N 3.15Å; Q285-V288 HydrophobicContact CB-CG1 4.21Å; Q285-V288 HydrophobicContact CB-CG2 4.24Å; Q285-L336 VanDerWaalsContact O-CD2 3.26Å; Q285-L336 WeakPolarHBondContact O-CD2 3.17Å
286	V	93.9	Very high	92.5	Very high	56 Å²	56	57.1 Å²	57.1	34%	0.339	29%	0.287	S	S	.	.			trans	-147.5	153.5	-178.9	68.1	0	0	0	0	109.9	V288 E339	V286-V288 VanDerWaalsContact C-N 3.27Å; V286-V288 PolarHBondContact O-N 3.48Å; V286-E339 HydrophobicContact CB-CG 4.03Å; V286-E339 HydrophobicContact CG1-CG 4.44Å
287	N	93.7	Very high	93.5	Very high	128 Å²	128	52.2 Å²	52.2	68%	0.684	26%	0.256	S	S	*	.	S	Bend	trans	58.9	34.2	-173.8	-52.8	-49.3	0	0	0	113.5	L336	N287-L336 WeakPolarHBondContact CA-O 3.03Å; N287-L336 PolarHBondContact N-O 2.89Å
288	V	94.8	Very high	93.9	Very high	40 Å²	40	53.4 Å²	53.4	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.3	177.7	-65.6	0	0	0	0	111.9	Q285 V286 T335 L336	Q285-V288 HydrophobicContact CB-CG1 4.21Å; Q285-V288 HydrophobicContact CB-CG2 4.24Å; V286-V288 VanDerWaalsContact C-N 3.27Å; V286-V288 PolarHBondContact O-N 3.48Å; V288-T335 WeakPolarHBondContact O-CA 3.18Å; V288-L336 HydrophobicContact CG2-CB 3.89Å; V288-L336 HydrophobicContact CG2-CD2 4.02Å; V288-L336 PolarHBondContact O-N 2.8Å
289	E	95.1	Very high	94.2	Very high	97 Å²	97	48.5 Å²	48.5	45%	0.453	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.9	174.6	-171.7	-175.9	119.3	0	0	110.3	R292 I333	E289-R292 VanDerWaalsContact CD-NE 3.28Å; E289-R292 WeakPolarHBondContact OE1-CD 3.4Å; E289-R292 WeakPolarHBondContact OE1-CG 3.12Å; E289-R292 IonicContact OE1-CZ 2.66Å; E289-R292 IonicContact OE1-NE 3.49Å; E289-R292 PolarHBondContact OE1-NE 2.86Å; E289-R292 IonicContact OE1-NH2 2.77Å; E289-R292 IonicContact OE2-CZ 2.8Å; E289-R292 IonicContact OE2-NE 3.74Å; E289-R292 PolarHBondContact OE2-NE 2.96Å; E289-R292 VanDerWaalsContact OE2-NE 3.16Å; E289-R292 IonicContact OE2-NH2 3.56Å; E289-R292 PolarHBondContact OE2-NH2 2.96Å; E289-I333 HydrophobicContact CG-CG2 4.08Å
290	V	94.5	Very high	94.5	Very high	11 Å²	11	51 Å²	51	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-44.1	-174.5	-177.2	0	0	0	0	111.7	G279 V281 F321 V334 L336 V377	G279-V290 WeakPolarHBondContact CA-O 3.36Å; V281-V290 HydrophobicContact CG1-CB 4.22Å; V281-V290 HydrophobicContact CG1-CG1 3.83Å; V281-V290 HydrophobicContact CG1-CG2 3.72Å; V290-F321 HydrophobicContact CG1-CE1 4.23Å; V290-F321 HydrophobicContact CG2-CD1 4.16Å; V290-F321 HydrophobicContact CG2-CE1 4.05Å; V290-V334 HydrophobicContact CB-CB 4.22Å; V290-V334 HydrophobicContact CB-CG1 3.92Å; V290-V334 HydrophobicContact CG1-CG1 4.47Å; V290-V334 HydrophobicContact CG2-CG1 4.18Å; V290-V334 PolarHBondContact N-O 2.87Å; V290-L336 HydrophobicContact CG2-CB 3.81Å; V290-V377 HydrophobicContact CG1-CG1 3.87Å; V290-V377 HydrophobicContact CG1-CG2 3.77Å
291	T	94.1	Very high	94.6	Very high	21 Å²	21	52 Å²	52	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	162.9	178.3	-161.9	0	0	0	0	110.6	I293 V334 I375	T291-I293 HydrophobicContact CG2-CG1 4.5Å; T291-V334 HydrophobicContact CG2-CB 4.08Å; T291-V334 HydrophobicContact CG2-CG2 3.86Å; T291-V334 PolarHBondContact O-N 2.94Å; T291-I375 HydrophobicContact CG2-CG2 4.16Å
292	R	93.8	Very high	94.5	Very high	99 Å²	99	54.6 Å²	54.6	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122	174	-68.4	175.5	174.6	-109.8	-11.8	109.9	E289 K294 E331 G332	E289-R292 VanDerWaalsContact CD-NE 3.28Å; E289-R292 WeakPolarHBondContact OE1-CD 3.4Å; E289-R292 WeakPolarHBondContact OE1-CG 3.12Å; E289-R292 IonicContact OE1-CZ 2.66Å; E289-R292 IonicContact OE1-NE 3.49Å; E289-R292 PolarHBondContact OE1-NE 2.86Å; E289-R292 IonicContact OE1-NH2 2.77Å; E289-R292 IonicContact OE2-CZ 2.8Å; E289-R292 IonicContact OE2-NE 3.74Å; E289-R292 PolarHBondContact OE2-NE 2.96Å; E289-R292 VanDerWaalsContact OE2-NE 3.16Å; E289-R292 IonicContact OE2-NH2 3.56Å; E289-R292 PolarHBondContact OE2-NH2 2.96Å; R292-K294 PolarHBondContact O-N 3.45Å; R292-E331 WeakPolarHBondContact CD-OE2 3.3Å; R292-E331 IonicContact NH1-OE2 3.52Å; R292-E331 PolarHBondContact NH1-OE2 2.85Å; R292-G332 WeakPolarHBondContact CA-O 3.49Å
293	I	94.4	Very high	94.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	97.4	180	-47.9	175.3	0	0	0	108.6	V272 L277 T291 V295 F310 I323 E331 G332 V334 V352 I375	V272-I293 HydrophobicContact CG1-CG2 3.98Å; V272-I293 HydrophobicContact CG2-CG2 3.86Å; L277-I293 HydrophobicContact CD1-CG1 4.2Å; L277-I293 HydrophobicContact CD1-CG2 3.96Å; T291-I293 HydrophobicContact CG2-CG1 4.5Å; I293-V295 PolarHBondContact O-N 3.22Å; I293-F310 HydrophobicContact CB-CE1 3.84Å; I293-F310 HydrophobicContact CB-CZ 4.18Å; I293-F310 HydrophobicContact CD1-CD1 4Å; I293-F310 HydrophobicContact CD1-CE1 3.97Å; I293-F310 HydrophobicContact CG2-CE1 3.7Å; I293-F310 HydrophobicContact CG2-CZ 4.3Å; I293-I323 HydrophobicContact CD1-CD1 3.71Å; I293-E331 WeakPolarHBondContact O-CA 3.5Å; I293-G332 PolarHBondContact N-O 2.86Å; I293-G332 PolarHBondContact O-N 2.71Å; I293-V334 HydrophobicContact CD1-CG2 4.18Å; I293-V334 HydrophobicContact CG1-CG2 4.44Å; I293-V352 HydrophobicContact CD1-CG2 3.91Å; I293-I375 HydrophobicContact CD1-CD1 3.42Å; I293-I375 VanDerWaalsContact CD1-CD1 3.42Å; I293-I375 HydrophobicContact CG1-CD1 3.95Å
294	K	94.1	Very high	94.7	Very high	57 Å²	57	56.2 Å²	56.2	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.4	174.8	-169.1	58.9	162.9	-166.4	0	110.9	V272 E273 R292 T329 E331	V272-K294 WeakPolarHBondContact CA-O 3.43Å; E273-K294 HydrophobicContact CG-CG 4.2Å; E273-K294 PolarHBondContact N-O 3.03Å; E273-K294 WeakPolarHBondContact OE2-CG 3.4Å; R292-K294 PolarHBondContact O-N 3.45Å; K294-T329 PolarHBondContact NZ-O 2.9Å; K294-E331 HydrophobicContact CD-CG 3.53Å; K294-E331 IonicContact NZ-OE1 3.47Å; K294-E331 PolarHBondContact NZ-OE1 2.84Å
295	V	94.6	Very high	95	Very high	6 Å²	6	54 Å²	54	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153	167.2	-60.8	0	0	0	0	111.1	P270 V271 V272 I293 A308 F310 N330 V354	P270-V295 HydrophobicContact CB-CB 4.45Å; V271-V295 CarbonylContact O-C 3.56Å; V271-V295 WeakPolarHBondContact O-CA 3.47Å; V272-V295 HydrophobicContact CG2-CG1 4.05Å; I293-V295 PolarHBondContact O-N 3.22Å; V295-A308 HydrophobicContact CG1-CB 4.47Å; V295-A308 HydrophobicContact CG2-CB 3.67Å; V295-F310 HydrophobicContact CG1-CE1 4.18Å; V295-F310 HydrophobicContact CG1-CZ 3.84Å; V295-N330 HydrophobicContact CG2-CB 3.93Å; V295-N330 VanDerWaalsContact CG2-CG 3.49Å; V295-N330 WeakPolarHBondContact CG2-O 3.48Å; V295-N330 PolarHBondContact N-O 2.97Å; V295-V354 HydrophobicContact CG1-CG1 3.92Å; V295-V354 HydrophobicContact CG1-CG2 4.46Å
296	F	94.7	Very high	95.2	Very high	124 Å²	124	52 Å²	52	54%	0.544	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.1	162.3	177.2	-90	0	0	0	108.4	P270 V271 E273 A298	P270-F296 WeakPolarHBondContact CA-O 3.46Å; V271-F296 PolarHBondContact N-O 2.73Å; V271-F296 PolarHBondContact O-N 3.45Å; E273-F296 HydrophobicContact CG-CB 4.43Å; F296-A298 HydrophobicContact CE1-CB 4.29Å
297	D	96.7	Very high	95.4	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.043	27%	0.269	C	S	.	.			trans	-134.1	151.2	168.5	-154.4	-56.2	0	0	0	108.3	P270 D299 N356	P270-D297 VanDerWaalsContact CA-OD2 3.28Å; P270-D297 WeakPolarHBondContact CA-OD2 3.14Å; P270-D297 HydrophobicContact CB-CB 4.34Å; P270-D297 WeakPolarHBondContact CB-OD2 3.33Å; P270-D297 VanDerWaalsContact CD-OD2 3.24Å; P270-D297 WeakPolarHBondContact CD-OD2 3.41Å; P270-D297 VanDerWaalsContact N-OD2 3.14Å; D297-D299 PolarHBondContact OD1-N 3.43Å; D297-D299 VanDerWaalsContact OD1-N 3.16Å; D297-N356 PolarHBondContact OD2-ND2 2.71Å
298	A	96.3	Very high	95.5	Very high	33 Å²	33	44.6 Å²	44.6	27%	0.273	24%	0.238	S	C	.	.			trans	-102.6	-17.1	-173.5	0	0	0	0	0	113.7	R229 E230 N268 F296	R229-A298 PolarHBondContact NH2-O 3.39Å; E230-A298 HydrophobicContact CG-CB 3.88Å; N268-A298 HydrophobicContact CB-CB 4.25Å; F296-A298 HydrophobicContact CE1-CB 4.29Å
299	D	97	Very high	95.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-57.6	169.2	174.3	-64.4	-6.9	0	0	0	112.1	R229 N266 N268 D297 I301 N305 W306	R229-D299 VanDerWaalsContact NH2-CA 3.33Å; N266-D299 VanDerWaalsContact CA-OD2 3.29Å; N266-D299 WeakPolarHBondContact CA-OD2 3.25Å; N266-D299 PolarHBondContact ND2-OD2 3.05Å; N268-D299 VanDerWaalsContact CB-OD1 3.26Å; N268-D299 WeakPolarHBondContact CB-OD1 3.45Å; N268-D299 PolarHBondContact N-OD1 3.18Å; N268-D299 PolarHBondContact ND2-OD1 3.38Å; D297-D299 PolarHBondContact OD1-N 3.43Å; D297-D299 VanDerWaalsContact OD1-N 3.16Å; D299-I301 PolarHBondContact O-N 3.5Å; D299-I301 VanDerWaalsContact O-N 3.07Å; D299-N305 HydrophobicContact CB-CB 3.9Å; D299-N305 WeakPolarHBondContact OD2-CB 3.21Å; D299-W306 HydrophobicContact CB-CB 4.13Å; D299-W306 VanDerWaalsContact O-CD1 3.3Å
300	E	96.3	Very high	95.7	Very high	60 Å²	60	42 Å²	42	28%	0.28	23%	0.225	S	C	.	.			trans	-61.2	113.5	-168.9	-176.2	168.8	-103.5	0	0	112.2	R261 D264 G302 S303 W306	R261-E300 IonicContact CZ-OE1 3.6Å; R261-E300 IonicContact NH2-OE1 2.81Å; R261-E300 PolarHBondContact NH2-OE1 3.07Å; R261-E300 IonicContact NH2-OE2 3.38Å; R261-E300 PolarHBondContact NH2-OE2 3.33Å; D264-E300 HydrophobicContact CB-CB 3.69Å; D264-E300 VanDerWaalsContact CG-N 3.29Å; D264-E300 WeakPolarHBondContact OD1-CB 3.39Å; D264-E300 PolarHBondContact OD1-N 3.04Å; D264-E300 WeakPolarHBondContact OD2-CB 3.49Å; D264-E300 PolarHBondContact OD2-N 3.09Å; E300-G302 PolarHBondContact O-N 2.93Å; E300-G302 VanDerWaalsContact O-N 3.17Å; E300-S303 WeakPolarHBondContact O-CB 3.49Å; E300-S303 PolarHBondContact O-N 2.93Å; E300-S303 PolarHBondContact O-OG 3.07Å; E300-S303 VanDerWaalsContact O-OG 3.05Å; E300-W306 VanDerWaalsContact O-CB 3.23Å; E300-W306 WeakPolarHBondContact O-CB 3.48Å
301	I	96.3	Very high	95.7	Very high	139 Å²	139	44.4 Å²	44.4	71%	0.713	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	120.8	-173.7	-61.8	175.2	0	0	0	111.5	D299 W306	D299-I301 PolarHBondContact O-N 3.5Å; D299-I301 VanDerWaalsContact O-N 3.07Å; I301-W306 HydrophobicContact CB-CD2 4.5Å; I301-W306 HydrophobicContact CG2-CD2 4.41Å; I301-W306 HydrophobicContact CG2-CH2 4.03Å; I301-W306 HydrophobicContact CG2-CZ2 3.81Å; I301-W306 HydrophobicContact CG2-CZ3 4.45Å
302	G	93.3	Very high	95.8	Very high	59 Å²	59	46.6 Å²	46.6	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-0.6	-176.7	0	0	0	0	0	115.2	E300	E300-G302 PolarHBondContact O-N 2.93Å; E300-G302 VanDerWaalsContact O-N 3.17Å
303	S	95.9	Very high	95.9	Very high	22 Å²	22	43.9 Å²	43.9	15%	0.154	25%	0.246	C	C	.	.	S	Bend	trans	-78.4	162.5	168.2	89.2	0	0	0	0	111.3	D264 E300 N305 W306 L307	D264-S303 PolarHBondContact OD2-OG 3.46Å; E300-S303 WeakPolarHBondContact O-CB 3.49Å; E300-S303 PolarHBondContact O-N 2.93Å; E300-S303 PolarHBondContact O-OG 3.07Å; E300-S303 VanDerWaalsContact O-OG 3.05Å; S303-N305 PolarHBondContact O-N 3.35Å; S303-N305 VanDerWaalsContact OG-CB 3.3Å; S303-N305 WeakPolarHBondContact OG-CB 3.47Å; S303-N305 PolarHBondContact OG-N 2.69Å; S303-N305 VanDerWaalsContact OG-N 3.09Å; S303-W306 PolarHBondContact O-N 3.11Å; S303-W306 PolarHBondContact OG-N 2.77Å; S303-L307 WeakPolarHBondContact O-CB 3.46Å; S303-L307 PolarHBondContact O-N 3.14Å
304	D	97	Very high	95.9	Very high	76 Å²	76	46.6 Å²	46.6	41%	0.406	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.9	171.4	-82	3.6	0	0	0	112.5	K357 A358	D304-K357 HydrophobicContact CB-CB 4.46Å; D304-K357 HydrophobicContact CB-CD 4.48Å; D304-K357 HydrophobicContact CB-CG 4.46Å; D304-K357 PolarHBondContact O-N 2.76Å; D304-K357 WeakPolarHBondContact OD1-CD 3.41Å; D304-K357 IonicContact OD1-NZ 2.69Å; D304-K357 PolarHBondContact OD1-NZ 2.73Å; D304-K357 IonicContact OD2-NZ 2.7Å; D304-K357 PolarHBondContact OD2-NZ 2.73Å; D304-A358 HydrophobicContact CB-CB 4.16Å; D304-A358 VanDerWaalsContact O-CB 3.29Å; D304-A358 WeakPolarHBondContact O-CB 3.33Å; D304-A358 PolarHBondContact O-N 3.16Å
305	N	96.2	Very high	95.9	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.16	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-48.6	171.4	-55.3	-30.2	0	0	0	109.5	D264 N266 D299 S303 N356 A358	D264-N305 PolarHBondContact O-ND2 2.83Å; D264-N305 WeakPolarHBondContact OD2-CB 3.13Å; D264-N305 PolarHBondContact OD2-ND2 2.87Å; N266-N305 HydrophobicContact CB-CB 3.71Å; N266-N305 PolarHBondContact ND2-O 3.28Å; D299-N305 HydrophobicContact CB-CB 3.9Å; D299-N305 WeakPolarHBondContact OD2-CB 3.21Å; S303-N305 PolarHBondContact O-N 3.35Å; S303-N305 VanDerWaalsContact OG-CB 3.3Å; S303-N305 WeakPolarHBondContact OG-CB 3.47Å; S303-N305 PolarHBondContact OG-N 2.69Å; S303-N305 VanDerWaalsContact OG-N 3.09Å; N305-N356 WeakPolarHBondContact O-CB 3.31Å; N305-N356 PolarHBondContact O-ND2 3.24Å; N305-A358 WeakPolarHBondContact OD1-CB 3.42Å
306	W	97.1	Very high	95.9	Very high	25 Å²	25	46 Å²	46	10%	0.095	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-35.3	177	175.9	86.1	0	0	0	114.2	D299 E300 I301 S303 A308 N330	D299-W306 HydrophobicContact CB-CB 4.13Å; D299-W306 VanDerWaalsContact O-CD1 3.3Å; E300-W306 VanDerWaalsContact O-CB 3.23Å; E300-W306 WeakPolarHBondContact O-CB 3.48Å; I301-W306 HydrophobicContact CB-CD2 4.5Å; I301-W306 HydrophobicContact CG2-CD2 4.41Å; I301-W306 HydrophobicContact CG2-CH2 4.03Å; I301-W306 HydrophobicContact CG2-CZ2 3.81Å; I301-W306 HydrophobicContact CG2-CZ3 4.45Å; S303-W306 PolarHBondContact O-N 3.11Å; S303-W306 PolarHBondContact OG-N 2.77Å; W306-A308 PolarHBondContact O-N 2.7Å; W306-N330 HydrophobicContact CH2-CB 3.63Å; W306-N330 HydrophobicContact CZ2-CB 3.66Å; W306-N330 HydrophobicContact CZ3-CB 4.1Å; W306-N330 PolarHBondContact O-ND2 3.02Å
307	L	97.4	Very high	95.8	Very high	26 Å²	26	47.4 Å²	47.4	14%	0.136	28%	0.279	C	S	.	.	S	Bend	trans	-69	122.3	-172	-177.1	60.5	0	0	0	112.4	S303 T325 A327 N356 K357	S303-L307 WeakPolarHBondContact O-CB 3.46Å; S303-L307 PolarHBondContact O-N 3.14Å; L307-T325 HydrophobicContact CD1-CG2 3.68Å; L307-A327 HydrophobicContact CD1-CB 3.89Å; L307-A327 HydrophobicContact CD2-CB 4.27Å; L307-N356 CarbonylContact O-C 3.58Å; L307-N356 WeakPolarHBondContact O-CA 3.5Å; L307-K357 HydrophobicContact CD2-CD 3.89Å; L307-K357 PolarHBondContact O-N 3.42Å
308	A	96.8	Very high	95.6	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	150.3	179.6	0	0	0	0	0	113.4	V295 W306 F310 T325 N330 V354 T355	V295-A308 HydrophobicContact CG1-CB 4.47Å; V295-A308 HydrophobicContact CG2-CB 3.67Å; W306-A308 PolarHBondContact O-N 2.7Å; A308-F310 HydrophobicContact CB-CE2 3.78Å; A308-F310 HydrophobicContact CB-CZ 4.09Å; A308-T325 HydrophobicContact CB-CG2 4.19Å; A308-T325 WeakPolarHBondContact O-CB 3.23Å; A308-T325 WeakPolarHBondContact O-CG2 3.27Å; A308-T325 PolarHBondContact O-OG1 3.36Å; A308-N330 VanDerWaalsContact CB-OD1 3.25Å; A308-N330 WeakPolarHBondContact CB-OD1 3.48Å; A308-N330 PolarHBondContact N-OD1 2.94Å; A308-V354 HydrophobicContact CB-CG1 4.22Å; A308-T355 CarbonylContact C-O 3.55Å; A308-T355 WeakPolarHBondContact CA-O 3.33Å
309	N	96.9	Very high	95.5	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.353	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.6	175.9	171.9	61.3	0	0	0	108.3	T355 N356	N309-T355 PolarHBondContact N-O 2.67Å; N309-T355 PolarHBondContact ND2-OG1 3.24Å; N309-T355 VanDerWaalsContact ND2-OG1 3.11Å; N309-T355 PolarHBondContact O-N 2.69Å; N309-T355 VanDerWaalsContact O-O 3.13Å; N309-N356 WeakPolarHBondContact CB-O 3.07Å
310	F	95.9	Very high	95.4	Very high	16 Å²	16	51 Å²	51	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.1	-176.2	-61.5	-95.9	0	0	0	110.9	I293 V295 A308 I323 T325 V354	I293-F310 HydrophobicContact CB-CE1 3.84Å; I293-F310 HydrophobicContact CB-CZ 4.18Å; I293-F310 HydrophobicContact CD1-CD1 4Å; I293-F310 HydrophobicContact CD1-CE1 3.97Å; I293-F310 HydrophobicContact CG2-CE1 3.7Å; I293-F310 HydrophobicContact CG2-CZ 4.3Å; V295-F310 HydrophobicContact CG1-CE1 4.18Å; V295-F310 HydrophobicContact CG1-CZ 3.84Å; A308-F310 HydrophobicContact CB-CE2 3.78Å; A308-F310 HydrophobicContact CB-CZ 4.09Å; F310-I323 HydrophobicContact CB-CD1 3.45Å; F310-I323 VanDerWaalsContact CB-CD1 3.45Å; F310-I323 HydrophobicContact CB-CG1 3.99Å; F310-I323 HydrophobicContact CB-CG2 4.08Å; F310-I323 HydrophobicContact CD1-CD1 3.82Å; F310-I323 HydrophobicContact CD2-CD1 4.2Å; F310-I323 HydrophobicContact CD2-CG1 4.48Å; F310-I323 HydrophobicContact CG-CD1 3.56Å; F310-I323 HydrophobicContact CG-CG1 4.23Å; F310-T325 WeakPolarHBondContact CD2-OG1 3.25Å; F310-T325 HydrophobicContact CE2-CG2 4.19Å; F310-V354 HydrophobicContact CD1-CG2 3.74Å; F310-V354 HydrophobicContact CE1-CB 4.48Å; F310-V354 HydrophobicContact CE1-CG1 4.17Å; F310-V354 HydrophobicContact CE1-CG2 3.56Å; F310-V354 HydrophobicContact CZ-CG1 4.46Å
311	T	95.4	Very high	95.5	Very high	62 Å²	62	48.5 Å²	48.5	38%	0.38	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.5	176.3	50.7	0	0	0	0	110.2	A313 V352 I353	T311-A313 PolarHBondContact O-N 3.15Å; T311-V352 CarbonylContact O-C 3.59Å; T311-V352 WeakPolarHBondContact O-CA 3.36Å; T311-V352 WeakPolarHBondContact O-CB 3.46Å; T311-I353 PolarHBondContact N-O 2.65Å; T311-I353 PolarHBondContact O-N 3.01Å; T311-I353 PolarHBondContact OG1-O 2.82Å
312	F	96.6	Very high	95.5	Very high	66 Å²	66	46.2 Å²	46.2	29%	0.289	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.3	173	-65.8	-77.8	0	0	0	109.8	N316 F321 I323 F350 V352	F312-N316 HydrophobicContact CB-CB 4.32Å; F312-N316 HydrophobicContact CD1-CB 3.77Å; F312-N316 WeakPolarHBondContact CD2-ND2 3.28Å; F312-N316 HydrophobicContact CE1-CB 4.21Å; F312-N316 WeakPolarHBondContact CE2-ND2 2.87Å; F312-N316 HydrophobicContact CG-CB 3.97Å; F312-N316 VanDerWaalsContact CZ-ND2 3.3Å; F312-N316 WeakPolarHBondContact CZ-ND2 3.41Å; F312-F321 HydrophobicContact CE1-CB 3.91Å; F312-F321 HydrophobicContact CZ-CB 3.71Å; F312-I323 HydrophobicContact CD2-CG2 4.26Å; F312-I323 HydrophobicContact CE2-CB 4.24Å; F312-I323 HydrophobicContact CE2-CG2 3.53Å; F312-I323 HydrophobicContact CZ-CB 3.95Å; F312-I323 HydrophobicContact CZ-CG2 3.68Å; F312-F350 AromaticContact CD1-CD2 3.84Å; F312-F350 HydrophobicContact CD1-CD2 3.84Å; F312-F350 HydrophobicContact CD1-CE2 4.15Å; F312-F350 AromaticContact CE1-CD2 3.78Å; F312-F350 HydrophobicContact CE1-CD2 3.78Å; F312-F350 AromaticContact CE1-CE2 3.7Å; F312-F350 HydrophobicContact CE1-CE2 3.7Å; F312-F350 HydrophobicContact CE1-CZ 4.41Å; F312-V352 HydrophobicContact CD1-CG1 3.79Å; F312-V352 HydrophobicContact CE1-CG1 4.1Å; F312-V352 HydrophobicContact CG-CG1 4.47Å
313	A	95	Very high	95.7	Very high	43 Å²	43	44.4 Å²	44.4	36%	0.355	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-31.6	178.6	0	0	0	0	0	112.4	T311 S351 I353 P372	T311-A313 PolarHBondContact O-N 3.15Å; A313-S351 PolarHBondContact N-O 2.84Å; A313-I353 HydrophobicContact CB-CD1 3.68Å; A313-I353 HydrophobicContact CB-CG1 3.99Å; A313-P372 HydrophobicContact CB-CB 4.16Å; A313-P372 HydrophobicContact CB-CG 4.19Å
314	S	94.5	Very high	95.7	Very high	56 Å²	56	48.5 Å²	48.5	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	164.7	173.2	69.3	0	0	0	0	111.2	E317 S351	S314-E317 WeakPolarHBondContact CA-OE1 3.28Å; S314-S351 PolarHBondContact N-O 2.83Å; S314-S351 PolarHBondContact O-N 3.23Å; S314-S351 PolarHBondContact OG-OG 3.2Å
315	G	93.1	Very high	95.7	Very high	27 Å²	27	46.8 Å²	46.8	28%	0.278	26%	0.264	S	S	.	.	S	Bend	trans	83.1	11.2	171.6	0	0	0	0	0	115	E317 F350	G315-E317 VanDerWaalsContact C-OE2 3.24Å; G315-E317 WeakPolarHBondContact CA-OE2 3.25Å; G315-E317 VanDerWaalsContact N-CD 3.28Å; G315-E317 PolarHBondContact N-OE1 2.8Å; G315-E317 PolarHBondContact N-OE2 2.93Å; G315-F350 WeakPolarHBondContact O-CB 3.19Å
316	N	96.1	Very high	95.7	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.134	27%	0.267	C	S	.	.			trans	-125.8	26	172.4	-165.4	22.5	0	0	0	111.6	F312 G318 G319 Y320 F321	F312-N316 HydrophobicContact CB-CB 4.32Å; F312-N316 HydrophobicContact CD1-CB 3.77Å; F312-N316 WeakPolarHBondContact CD2-ND2 3.28Å; F312-N316 HydrophobicContact CE1-CB 4.21Å; F312-N316 WeakPolarHBondContact CE2-ND2 2.87Å; F312-N316 HydrophobicContact CG-CB 3.97Å; F312-N316 VanDerWaalsContact CZ-ND2 3.3Å; F312-N316 WeakPolarHBondContact CZ-ND2 3.41Å; N316-G318 PolarHBondContact O-N 3.33Å; N316-G319 PolarHBondContact O-N 2.69Å; N316-G319 WeakPolarHBondContact OD1-CA 2.93Å; N316-Y320 PolarHBondContact OD1-N 2.77Å; N316-F321 PolarHBondContact ND2-O 3.3Å; N316-F321 PolarHBondContact OD1-N 2.7Å
317	E	92.9	Very high	95.5	Very high	152 Å²	152	48.9 Å²	48.9	71%	0.71	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.7	-179.3	-61	75	-165.7	0	0	112.1	S314 G315 G319	S314-E317 WeakPolarHBondContact CA-OE1 3.28Å; G315-E317 VanDerWaalsContact C-OE2 3.24Å; G315-E317 WeakPolarHBondContact CA-OE2 3.25Å; G315-E317 VanDerWaalsContact N-CD 3.28Å; G315-E317 PolarHBondContact N-OE1 2.8Å; G315-E317 PolarHBondContact N-OE2 2.93Å; E317-G319 VanDerWaalsContact C-N 3.32Å
318	G	91.3	Very high	95.3	Very high	37 Å²	37	56 Å²	56	38%	0.381	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.3	170.6	0	0	0	0	0	114.6	N316 K338	N316-G318 PolarHBondContact O-N 3.33Å; G318-K338 PolarHBondContact O-NZ 2.84Å
319	G	95	Very high	95.1	Very high	24 Å²	24	58.2 Å²	58.2	25%	0.247	33%	0.331	C	S	.	.			trans	63	47	-176.6	0	0	0	0	0	113.2	N316 E317 K338	N316-G319 PolarHBondContact O-N 2.69Å; N316-G319 WeakPolarHBondContact OD1-CA 2.93Å; E317-G319 VanDerWaalsContact C-N 3.32Å; G319-K338 VanDerWaalsContact O-CD 3.27Å; G319-K338 WeakPolarHBondContact O-CD 3.45Å; G319-K338 WeakPolarHBondContact O-CE 3.44Å
320	Y	95.3	Very high	95.1	Very high	58 Å²	58	55.1 Å²	55.1	23%	0.227	31%	0.314	C	S	.	.			trans	-83.2	-30.2	176.1	-72	-80.8	0	0	0	112.4	N316 I337 K338 M345	N316-Y320 PolarHBondContact OD1-N 2.77Å; Y320-I337 VanDerWaalsContact O-CG1 3.27Å; Y320-I337 WeakPolarHBondContact O-CG1 3.44Å; Y320-I337 PolarHBondContact O-N 3.24Å; Y320-K338 HydrophobicContact CD1-CB 3.76Å; Y320-K338 HydrophobicContact CD1-CD 4.43Å; Y320-K338 HydrophobicContact CE1-CB 4.18Å; Y320-M345 HydrophobicContact CE2-SD 4.48Å; Y320-M345 WeakPolarHBondContact OH-CE 3.48Å
321	F	97.1	Very high	95.1	Very high	6 Å²	6	56 Å²	56	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.3	-174.6	-56.7	-69.3	0	0	0	112.4	V290 F312 N316 V334 T335 L336 L348 F350 V377	V290-F321 HydrophobicContact CG1-CE1 4.23Å; V290-F321 HydrophobicContact CG2-CD1 4.16Å; V290-F321 HydrophobicContact CG2-CE1 4.05Å; F312-F321 HydrophobicContact CE1-CB 3.91Å; F312-F321 HydrophobicContact CZ-CB 3.71Å; N316-F321 PolarHBondContact ND2-O 3.3Å; N316-F321 PolarHBondContact OD1-N 2.7Å; F321-V334 HydrophobicContact CB-CG1 4.23Å; F321-V334 HydrophobicContact CD1-CG1 3.92Å; F321-V334 HydrophobicContact CG-CG1 4.31Å; F321-T335 WeakPolarHBondContact CA-O 3.13Å; F321-L336 HydrophobicContact CD1-CD1 4.2Å; F321-L336 HydrophobicContact CE1-CD1 3.88Å; F321-L348 HydrophobicContact CE2-CB 3.91Å; F321-L348 HydrophobicContact CE2-CD1 4.43Å; F321-L348 HydrophobicContact CZ-CB 3.65Å; F321-L348 HydrophobicContact CZ-CD1 3.83Å; F321-L348 HydrophobicContact CZ-CG 4.41Å; F321-F350 HydrophobicContact CD1-CE1 4.34Å; F321-F350 AromaticContact CD2-CD1 3.64Å; F321-F350 HydrophobicContact CD2-CD1 3.64Å; F321-F350 AromaticContact CD2-CE1 3.9Å; F321-F350 HydrophobicContact CD2-CE1 3.9Å; F321-F350 HydrophobicContact CD2-CG 4.21Å; F321-F350 HydrophobicContact CE1-CE1 4.29Å; F321-F350 AromaticContact CE2-CD1 3.42Å; F321-F350 HydrophobicContact CE2-CD1 3.42Å; F321-F350 VanDerWaalsContact CE2-CD1 3.42Å; F321-F350 AromaticContact CE2-CE1 3.83Å; F321-F350 HydrophobicContact CE2-CE1 3.83Å; F321-F350 HydrophobicContact CE2-CG 4.28Å; F321-F350 HydrophobicContact CG-CD1 4.34Å; F321-F350 HydrophobicContact CG-CE1 4.15Å; F321-F350 AromaticContact CZ-CD1 3.98Å; F321-F350 HydrophobicContact CZ-CD1 3.98Å; F321-F350 HydrophobicContact CZ-CE1 4.03Å; F321-V377 HydrophobicContact CE1-CG2 4.33Å; F321-V377 HydrophobicContact CZ-CB 4.24Å; F321-V377 HydrophobicContact CZ-CG1 4.27Å; F321-V377 HydrophobicContact CZ-CG2 3.95Å
322	H	97	Very high	95.1	Very high	92 Å²	92	53 Å²	53	43%	0.426	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	159.3	158.6	-175.5	67.5	0	0	0	109.3	V334 T335 I337	H322-V334 WeakPolarHBondContact O-CA 3.1Å; H322-T335 PolarHBondContact N-O 3.42Å; H322-T335 PolarHBondContact O-N 2.91Å; H322-I337 HydrophobicContact CB-CD1 4.31Å; H322-I337 HydrophobicContact CB-CG2 3.66Å
323	I	96.9	Very high	95	Very high	21 Å²	21	51 Å²	51	11%	0.108	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	129.7	174.8	-171.4	167.2	0	0	0	110	I293 F310 F312 I333 V334	I293-I323 HydrophobicContact CD1-CD1 3.71Å; F310-I323 HydrophobicContact CB-CD1 3.45Å; F310-I323 VanDerWaalsContact CB-CD1 3.45Å; F310-I323 HydrophobicContact CB-CG1 3.99Å; F310-I323 HydrophobicContact CB-CG2 4.08Å; F310-I323 HydrophobicContact CD1-CD1 3.82Å; F310-I323 HydrophobicContact CD2-CD1 4.2Å; F310-I323 HydrophobicContact CD2-CG1 4.48Å; F310-I323 HydrophobicContact CG-CD1 3.56Å; F310-I323 HydrophobicContact CG-CG1 4.23Å; F312-I323 HydrophobicContact CD2-CG2 4.26Å; F312-I323 HydrophobicContact CE2-CB 4.24Å; F312-I323 HydrophobicContact CE2-CG2 3.53Å; F312-I323 HydrophobicContact CZ-CB 3.95Å; F312-I323 HydrophobicContact CZ-CG2 3.68Å; I323-I333 WeakPolarHBondContact CA-O 3.15Å; I323-V334 HydrophobicContact CD1-CG2 3.84Å; I323-V334 HydrophobicContact CG1-CG2 4.16Å
324	E	96.1	Very high	95.1	Very high	107 Å²	107	49 Å²	49	50%	0.5	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.5	176.8	61.9	-177.8	167.2	0	0	110.2	G332 I333	E324-G332 CarbonylContact O-C 3.58Å; E324-G332 WeakPolarHBondContact O-CA 3.41Å; E324-I333 HydrophobicContact CG-CB 4.23Å; E324-I333 PolarHBondContact N-O 3.43Å; E324-I333 VanDerWaalsContact N-O 3.13Å; E324-I333 PolarHBondContact O-N 2.94Å
325	T	96.9	Very high	95.2	Very high	41 Å²	41	47.5 Å²	47.5	25%	0.252	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	176.1	-49	0	0	0	0	110.1	L307 A308 F310 A327 E331	L307-T325 HydrophobicContact CD1-CG2 3.68Å; A308-T325 HydrophobicContact CB-CG2 4.19Å; A308-T325 WeakPolarHBondContact O-CB 3.23Å; A308-T325 WeakPolarHBondContact O-CG2 3.27Å; A308-T325 PolarHBondContact O-OG1 3.36Å; F310-T325 WeakPolarHBondContact CD2-OG1 3.25Å; F310-T325 HydrophobicContact CE2-CG2 4.19Å; T325-A327 PolarHBondContact O-N 3.35Å; T325-E331 WeakPolarHBondContact CA-O 3.47Å
326	D	96.1	Very high	95.4	Very high	42 Å²	42	46.2 Å²	46.2	23%	0.225	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	111.7	165.2	170.3	26.6	0	0	0	110.1	Q328 T329 N330 E331 I333	D326-Q328 PolarHBondContact O-N 2.71Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.46Å; D326-Q328 PolarHBondContact OD1-N 2.67Å; D326-T329 PolarHBondContact O-N 2.99Å; D326-T329 WeakPolarHBondContact OD2-CB 3.47Å; D326-T329 VanDerWaalsContact OD2-CG2 3.25Å; D326-T329 WeakPolarHBondContact OD2-CG2 3.31Å; D326-T329 PolarHBondContact OD2-N 3.11Å; D326-T329 PolarHBondContact OD2-OG1 2.77Å; D326-N330 WeakPolarHBondContact O-CA 3.41Å; D326-N330 PolarHBondContact O-N 2.78Å; D326-E331 PolarHBondContact N-O 3.28Å; D326-I333 HydrophobicContact CB-CD1 4.03Å
327	A	94	Very high	95.4	Very high	57 Å²	57	48.5 Å²	48.5	47%	0.471	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.5	179.3	0	0	0	0	0	114.7	L307 T325	L307-A327 HydrophobicContact CD1-CB 3.89Å; L307-A327 HydrophobicContact CD2-CB 4.27Å; T325-A327 PolarHBondContact O-N 3.35Å
328	Q	92.3	Very high	95.4	Very high	176 Å²	176	46 Å²	46	82%	0.822	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-34.6	173.3	-58.7	-169.5	20.8	0	0	112.6	D326	D326-Q328 PolarHBondContact O-N 2.71Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.46Å; D326-Q328 PolarHBondContact OD1-N 2.67Å
329	T	93.8	Very high	95.5	Very high	48 Å²	48	49.9 Å²	49.9	29%	0.294	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-12.9	-174.5	59.9	0	0	0	0	114.5	K294 D326 E331	K294-T329 PolarHBondContact NZ-O 2.9Å; D326-T329 PolarHBondContact O-N 2.99Å; D326-T329 WeakPolarHBondContact OD2-CB 3.47Å; D326-T329 VanDerWaalsContact OD2-CG2 3.25Å; D326-T329 WeakPolarHBondContact OD2-CG2 3.31Å; D326-T329 PolarHBondContact OD2-N 3.11Å; D326-T329 PolarHBondContact OD2-OG1 2.77Å; T329-E331 VanDerWaalsContact C-N 3.34Å; T329-E331 WeakPolarHBondContact OG1-CB 3.35Å; T329-E331 WeakPolarHBondContact OG1-CG 3.44Å
330	N	95.8	Very high	95.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.011	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	47.1	-167.9	-138.4	2.2	0	0	0	111.9	V295 W306 A308 D326	V295-N330 HydrophobicContact CG2-CB 3.93Å; V295-N330 VanDerWaalsContact CG2-CG 3.49Å; V295-N330 WeakPolarHBondContact CG2-O 3.48Å; V295-N330 PolarHBondContact N-O 2.97Å; W306-N330 HydrophobicContact CH2-CB 3.63Å; W306-N330 HydrophobicContact CZ2-CB 3.66Å; W306-N330 HydrophobicContact CZ3-CB 4.1Å; W306-N330 PolarHBondContact O-ND2 3.02Å; A308-N330 VanDerWaalsContact CB-OD1 3.25Å; A308-N330 WeakPolarHBondContact CB-OD1 3.48Å; A308-N330 PolarHBondContact N-OD1 2.94Å; D326-N330 WeakPolarHBondContact O-CA 3.41Å; D326-N330 PolarHBondContact O-N 2.78Å
331	E	95.1	Very high	95.4	Very high	34 Å²	34	49 Å²	49	16%	0.159	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.4	177.4	-74	166.6	-156.3	0	0	110.3	R292 I293 K294 T325 D326 T329 I333	R292-E331 WeakPolarHBondContact CD-OE2 3.3Å; R292-E331 IonicContact NH1-OE2 3.52Å; R292-E331 PolarHBondContact NH1-OE2 2.85Å; I293-E331 WeakPolarHBondContact O-CA 3.5Å; K294-E331 HydrophobicContact CD-CG 3.53Å; K294-E331 IonicContact NZ-OE1 3.47Å; K294-E331 PolarHBondContact NZ-OE1 2.84Å; T325-E331 WeakPolarHBondContact CA-O 3.47Å; D326-E331 PolarHBondContact N-O 3.28Å; T329-E331 VanDerWaalsContact C-N 3.34Å; T329-E331 WeakPolarHBondContact OG1-CB 3.35Å; T329-E331 WeakPolarHBondContact OG1-CG 3.44Å; E331-I333 PolarHBondContact O-N 3.29Å
332	G	95.7	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	103.1	168.7	0	0	0	0	0	109.8	R292 I293 E324	R292-G332 WeakPolarHBondContact CA-O 3.49Å; I293-G332 PolarHBondContact N-O 2.86Å; I293-G332 PolarHBondContact O-N 2.71Å; E324-G332 CarbonylContact O-C 3.58Å; E324-G332 WeakPolarHBondContact O-CA 3.41Å
333	I	96.1	Very high	95	Very high	23 Å²	23	50.6 Å²	50.6	12%	0.118	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.4	178.5	-55.4	-179.4	0	0	0	107.8	E289 I323 E324 D326 E331 T335	E289-I333 HydrophobicContact CG-CG2 4.08Å; I323-I333 WeakPolarHBondContact CA-O 3.15Å; E324-I333 HydrophobicContact CG-CB 4.23Å; E324-I333 PolarHBondContact N-O 3.43Å; E324-I333 VanDerWaalsContact N-O 3.13Å; E324-I333 PolarHBondContact O-N 2.94Å; D326-I333 HydrophobicContact CB-CD1 4.03Å; E331-I333 PolarHBondContact O-N 3.29Å; I333-T335 HydrophobicContact CG2-CG2 4.17Å
334	V	96.4	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.1	174.5	-179.4	0	0	0	0	109	V290 T291 I293 F321 H322 I323 F350	V290-V334 HydrophobicContact CB-CB 4.22Å; V290-V334 HydrophobicContact CB-CG1 3.92Å; V290-V334 HydrophobicContact CG1-CG1 4.47Å; V290-V334 HydrophobicContact CG2-CG1 4.18Å; V290-V334 PolarHBondContact N-O 2.87Å; T291-V334 HydrophobicContact CG2-CB 4.08Å; T291-V334 HydrophobicContact CG2-CG2 3.86Å; T291-V334 PolarHBondContact O-N 2.94Å; I293-V334 HydrophobicContact CD1-CG2 4.18Å; I293-V334 HydrophobicContact CG1-CG2 4.44Å; F321-V334 HydrophobicContact CB-CG1 4.23Å; F321-V334 HydrophobicContact CD1-CG1 3.92Å; F321-V334 HydrophobicContact CG-CG1 4.31Å; H322-V334 WeakPolarHBondContact O-CA 3.1Å; I323-V334 HydrophobicContact CD1-CG2 3.84Å; I323-V334 HydrophobicContact CG1-CG2 4.16Å; V334-F350 HydrophobicContact CG1-CE1 4.34Å; V334-F350 HydrophobicContact CG1-CZ 3.86Å; V334-F350 HydrophobicContact CG2-CZ 4.1Å
335	T	96.3	Very high	94.4	Very high	26 Å²	26	53.6 Å²	53.6	16%	0.16	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.8	176.5	53.9	0	0	0	0	111.5	V288 F321 H322 I333	V288-T335 WeakPolarHBondContact O-CA 3.18Å; F321-T335 WeakPolarHBondContact CA-O 3.13Å; H322-T335 PolarHBondContact N-O 3.42Å; H322-T335 PolarHBondContact O-N 2.91Å; I333-T335 HydrophobicContact CG2-CG2 4.17Å
336	L	96.6	Very high	94.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.3	174.9	-177.5	70.2	0	0	0	108.9	V281 Q285 N287 V288 V290 F321 K338 V340	V281-L336 HydrophobicContact CB-CD2 4.15Å; V281-L336 HydrophobicContact CG1-CD2 4.17Å; V281-L336 HydrophobicContact CG2-CD2 4.42Å; Q285-L336 VanDerWaalsContact O-CD2 3.26Å; Q285-L336 WeakPolarHBondContact O-CD2 3.17Å; N287-L336 WeakPolarHBondContact CA-O 3.03Å; N287-L336 PolarHBondContact N-O 2.89Å; V288-L336 HydrophobicContact CG2-CB 3.89Å; V288-L336 HydrophobicContact CG2-CD2 4.02Å; V288-L336 PolarHBondContact O-N 2.8Å; V290-L336 HydrophobicContact CG2-CB 3.81Å; F321-L336 HydrophobicContact CD1-CD1 4.2Å; F321-L336 HydrophobicContact CE1-CD1 3.88Å; L336-K338 WeakPolarHBondContact CD1-O 3.22Å; L336-K338 VanDerWaalsContact CG-O 3.24Å; L336-K338 WeakPolarHBondContact CG-O 3.48Å; L336-V340 HydrophobicContact CD2-CG1 4.48Å
337	I	95.9	Very high	94.1	Very high	73 Å²	73	58.3 Å²	58.3	37%	0.374	29%	0.29	S	S	.	.			trans	-105.6	1.7	-175.2	58.9	161.6	0	0	0	114	Y320 H322	Y320-I337 VanDerWaalsContact O-CG1 3.27Å; Y320-I337 WeakPolarHBondContact O-CG1 3.44Å; Y320-I337 PolarHBondContact O-N 3.24Å; H322-I337 HydrophobicContact CB-CD1 4.31Å; H322-I337 HydrophobicContact CB-CG2 3.66Å
338	K	94.6	Very high	94.1	Very high	100 Å²	100	56.5 Å²	56.5	44%	0.435	27%	0.272	S	S	.	.	S	Bend	trans	-139.3	144.7	170.4	-66.3	-177.1	-176.7	177.2	0	109.8	G318 G319 Y320 L336	G318-K338 PolarHBondContact O-NZ 2.84Å; G319-K338 VanDerWaalsContact O-CD 3.27Å; G319-K338 WeakPolarHBondContact O-CD 3.45Å; G319-K338 WeakPolarHBondContact O-CE 3.44Å; Y320-K338 HydrophobicContact CD1-CB 3.76Å; Y320-K338 HydrophobicContact CD1-CD 4.43Å; Y320-K338 HydrophobicContact CE1-CB 4.18Å; L336-K338 WeakPolarHBondContact CD1-O 3.22Å; L336-K338 VanDerWaalsContact CG-O 3.24Å; L336-K338 WeakPolarHBondContact CG-O 3.48Å
339	E	93.5	Very high	94.1	Very high	117 Å²	117	51.5 Å²	51.5	55%	0.547	25%	0.251	S	S	.	.			trans	-60.9	150.6	171.2	-65.5	168.9	-178.5	0	0	110.4	V286	V286-E339 HydrophobicContact CB-CG 4.03Å; V286-E339 HydrophobicContact CG1-CG 4.44Å
340	V	94.3	Very high	94.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	24%	0.239	C	C	.	.			trans	-128.2	139.8	174.9	60.3	0	0	0	0	108.9	V281 E283 N284 L336 M345 L348 V379	V281-V340 HydrophobicContact CG2-CG1 4.13Å; E283-V340 VanDerWaalsContact CA-O 3.31Å; E283-V340 WeakPolarHBondContact CA-O 3.37Å; E283-V340 WeakPolarHBondContact CB-O 3.34Å; N284-V340 PolarHBondContact N-O 3.01Å; L336-V340 HydrophobicContact CD2-CG1 4.48Å; V340-M345 HydrophobicContact CG2-CB 3.87Å; V340-M345 HydrophobicContact CG2-CE 4.29Å; V340-L348 HydrophobicContact CB-CD1 4.16Å; V340-L348 HydrophobicContact CG1-CD1 4.33Å; V340-L348 HydrophobicContact CG2-CD1 3.92Å; V340-L348 HydrophobicContact CG2-CD2 4.48Å; V340-L348 HydrophobicContact CG2-CG 4.37Å; V340-V379 HydrophobicContact CG1-CG1 3.94Å; V340-V379 HydrophobicContact CG1-CG2 3.95Å; V340-V379 HydrophobicContact CG2-CG2 3.97Å
341	D	93.1	Very high	94.2	Very high	62 Å²	62	50 Å²	50	33%	0.332	24%	0.242	S	C	.	.			trans	-92.6	125.4	170.9	164.6	-8.2	0	0	0	108.1	E343 E344 M345	D341-E343 VanDerWaalsContact OD1-CA 3.28Å; D341-E343 WeakPolarHBondContact OD1-CA 3.4Å; D341-E343 WeakPolarHBondContact OD1-CB 3.36Å; D341-E343 PolarHBondContact OD1-N 2.83Å; D341-E344 HydrophobicContact CB-CB 4.31Å; D341-E344 PolarHBondContact OD1-N 3.27Å; D341-M345 PolarHBondContact O-N 3.17Å
342	Y	93.8	Very high	94.2	Very high	66 Å²	66	48.3 Å²	48.3	26%	0.259	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-39.8	176.7	175.4	-98.3	0	0	0	111.7	E283 E344 M345 K346 V379 N381	E283-Y342 WeakPolarHBondContact OE2-CB 3.35Å; E283-Y342 PolarHBondContact OE2-N 3.27Å; Y342-E344 VanDerWaalsContact C-N 3.26Å; Y342-E344 PolarHBondContact O-N 3.26Å; Y342-M345 PolarHBondContact O-N 3.07Å; Y342-K346 HydrophobicContact CD1-CD 4.12Å; Y342-K346 VanDerWaalsContact CD1-CE 3.47Å; Y342-K346 HydrophobicContact CD1-CG 4.23Å; Y342-K346 HydrophobicContact CD2-CB 4.25Å; Y342-K346 HydrophobicContact CD2-CD 4.43Å; Y342-K346 HydrophobicContact CD2-CG 3.85Å; Y342-K346 HydrophobicContact CE1-CD 3.69Å; Y342-K346 HydrophobicContact CE1-CG 4.17Å; Y342-K346 HydrophobicContact CE2-CB 4Å; Y342-K346 HydrophobicContact CE2-CD 4Å; Y342-K346 HydrophobicContact CE2-CG 3.74Å; Y342-K346 HydrophobicContact CG-CD 4.49Å; Y342-K346 HydrophobicContact CG-CG 4.1Å; Y342-K346 WeakPolarHBondContact O-CE 3.33Å; Y342-K346 WeakPolarHBondContact O-CG 3.24Å; Y342-V379 HydrophobicContact CD2-CB 4Å; Y342-V379 HydrophobicContact CD2-CG1 4.02Å; Y342-V379 VanDerWaalsContact CD2-O 3.28Å; Y342-V379 WeakPolarHBondContact CD2-O 3.25Å; Y342-V379 VanDerWaalsContact CE2-O 3.25Å; Y342-V379 WeakPolarHBondContact CE2-O 3.49Å; Y342-V379 HydrophobicContact CG-CG1 4.48Å; Y342-N381 HydrophobicContact CD1-CB 3.62Å; Y342-N381 HydrophobicContact CD2-CB 4.28Å; Y342-N381 HydrophobicContact CE1-CB 3.77Å; Y342-N381 HydrophobicContact CE2-CB 4.44Å; Y342-N381 HydrophobicContact CG-CB 3.88Å
343	E	91.1	Very high	94.1	Very high	65 Å²	65	49.8 Å²	49.8	30%	0.304	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.5	-179.1	-51.6	-41.5	-30.8	0	0	112.7	D341 K346 N381	D341-E343 VanDerWaalsContact OD1-CA 3.28Å; D341-E343 WeakPolarHBondContact OD1-CA 3.4Å; D341-E343 WeakPolarHBondContact OD1-CB 3.36Å; D341-E343 PolarHBondContact OD1-N 2.83Å; E343-K346 IonicContact OE1-NZ 2.73Å; E343-K346 PolarHBondContact OE1-NZ 2.9Å; E343-N381 PolarHBondContact OE2-ND2 2.92Å
344	E	90.9	Very high	94.1	Very high	147 Å²	147	49 Å²	49	69%	0.687	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-51.9	166.1	-163.9	177.6	-151.5	0	0	112.9	D341 Y342	D341-E344 HydrophobicContact CB-CB 4.31Å; D341-E344 PolarHBondContact OD1-N 3.27Å; Y342-E344 VanDerWaalsContact C-N 3.26Å; Y342-E344 PolarHBondContact O-N 3.26Å
345	M	90.4	Very high	94	Very high	43 Å²	43	50.5 Å²	50.5	21%	0.212	25%	0.247	C	C	.	.			trans	-129	89.3	-165.2	-75.6	174.1	-75	0	0	114.2	Y320 V340 D341 Y342 N347 L348 V379	Y320-M345 HydrophobicContact CE2-SD 4.48Å; Y320-M345 WeakPolarHBondContact OH-CE 3.48Å; V340-M345 HydrophobicContact CG2-CB 3.87Å; V340-M345 HydrophobicContact CG2-CE 4.29Å; D341-M345 PolarHBondContact O-N 3.17Å; Y342-M345 PolarHBondContact O-N 3.07Å; M345-N347 PolarHBondContact O-N 3.07Å; M345-L348 HydrophobicContact CB-CD2 4.32Å; M345-L348 HydrophobicContact SD-CD2 4.13Å; M345-V379 WeakPolarHBondContact O-CG2 3.4Å
346	K	92.6	Very high	94	Very high	83 Å²	83	49.4 Å²	49.4	36%	0.361	24%	0.24	S	C	.	.	S	Bend	trans	-76.7	-18.8	-176.3	-59.6	-171.3	177.7	-160.9	0	115	Y342 E343 V379	Y342-K346 HydrophobicContact CD1-CD 4.12Å; Y342-K346 VanDerWaalsContact CD1-CE 3.47Å; Y342-K346 HydrophobicContact CD1-CG 4.23Å; Y342-K346 HydrophobicContact CD2-CB 4.25Å; Y342-K346 HydrophobicContact CD2-CD 4.43Å; Y342-K346 HydrophobicContact CD2-CG 3.85Å; Y342-K346 HydrophobicContact CE1-CD 3.69Å; Y342-K346 HydrophobicContact CE1-CG 4.17Å; Y342-K346 HydrophobicContact CE2-CB 4Å; Y342-K346 HydrophobicContact CE2-CD 4Å; Y342-K346 HydrophobicContact CE2-CG 3.74Å; Y342-K346 HydrophobicContact CG-CD 4.49Å; Y342-K346 HydrophobicContact CG-CG 4.1Å; Y342-K346 WeakPolarHBondContact O-CE 3.33Å; Y342-K346 WeakPolarHBondContact O-CG 3.24Å; E343-K346 IonicContact OE1-NZ 2.73Å; E343-K346 PolarHBondContact OE1-NZ 2.9Å; K346-V379 PolarHBondContact O-N 2.93Å
347	N	93.1	Very high	94	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-143.7	141.3	173.6	-48.6	-95.1	0	0	0	110.1	M345 V377	M345-N347 PolarHBondContact O-N 3.07Å; N347-V377 CarbonylContact C-O 3.5Å; N347-V377 VanDerWaalsContact CA-O 3.24Å; N347-V377 WeakPolarHBondContact CA-O 3.26Å
348	L	94	Very high	93.9	Very high	18 Å²	18	52.9 Å²	52.9	9%	0.094	26%	0.258	C	S	.	.			trans	-119.9	60	176.6	-66	175.2	0	0	0	109.7	F321 V340 M345 F350 V377 V379	F321-L348 HydrophobicContact CE2-CB 3.91Å; F321-L348 HydrophobicContact CE2-CD1 4.43Å; F321-L348 HydrophobicContact CZ-CB 3.65Å; F321-L348 HydrophobicContact CZ-CD1 3.83Å; F321-L348 HydrophobicContact CZ-CG 4.41Å; V340-L348 HydrophobicContact CB-CD1 4.16Å; V340-L348 HydrophobicContact CG1-CD1 4.33Å; V340-L348 HydrophobicContact CG2-CD1 3.92Å; V340-L348 HydrophobicContact CG2-CD2 4.48Å; V340-L348 HydrophobicContact CG2-CG 4.37Å; M345-L348 HydrophobicContact CB-CD2 4.32Å; M345-L348 HydrophobicContact SD-CD2 4.13Å; L348-F350 PolarHBondContact O-N 2.93Å; L348-V377 HydrophobicContact CB-CB 4.14Å; L348-V377 HydrophobicContact CB-CG1 4.48Å; L348-V377 PolarHBondContact N-O 2.91Å; L348-V377 WeakPolarHBondContact O-CB 3.34Å; L348-V379 HydrophobicContact CD1-CG2 4.31Å; L348-V379 HydrophobicContact CG-CG2 4.27Å
349	D	94.3	Very high	93.9	Very high	71 Å²	71	52.4 Å²	52.4	38%	0.38	27%	0.272	S	S	.	.			trans	-68.4	122.9	179.8	-78.5	15.3	0	0	0	110.6	I375 K376 V377	D349-I375 WeakPolarHBondContact CA-O 3.46Å; D349-K376 VanDerWaalsContact OD1-CA 3.24Å; D349-K376 WeakPolarHBondContact OD1-CA 3.44Å; D349-K376 WeakPolarHBondContact OD1-CB 3.38Å; D349-K376 IonicContact OD2-NZ 3.11Å; D349-K376 PolarHBondContact OD2-NZ 2.86Å; D349-V377 PolarHBondContact OD1-N 2.6Å
350	F	95	Very high	94	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	173.9	178.8	70.7	-92.7	0	0	0	111.9	F312 G315 F321 V334 L348 V352 I375 V377	F312-F350 AromaticContact CD1-CD2 3.84Å; F312-F350 HydrophobicContact CD1-CD2 3.84Å; F312-F350 HydrophobicContact CD1-CE2 4.15Å; F312-F350 AromaticContact CE1-CD2 3.78Å; F312-F350 HydrophobicContact CE1-CD2 3.78Å; F312-F350 AromaticContact CE1-CE2 3.7Å; F312-F350 HydrophobicContact CE1-CE2 3.7Å; F312-F350 HydrophobicContact CE1-CZ 4.41Å; G315-F350 WeakPolarHBondContact O-CB 3.19Å; F321-F350 HydrophobicContact CD1-CE1 4.34Å; F321-F350 AromaticContact CD2-CD1 3.64Å; F321-F350 HydrophobicContact CD2-CD1 3.64Å; F321-F350 AromaticContact CD2-CE1 3.9Å; F321-F350 HydrophobicContact CD2-CE1 3.9Å; F321-F350 HydrophobicContact CD2-CG 4.21Å; F321-F350 HydrophobicContact CE1-CE1 4.29Å; F321-F350 AromaticContact CE2-CD1 3.42Å; F321-F350 HydrophobicContact CE2-CD1 3.42Å; F321-F350 VanDerWaalsContact CE2-CD1 3.42Å; F321-F350 AromaticContact CE2-CE1 3.83Å; F321-F350 HydrophobicContact CE2-CE1 3.83Å; F321-F350 HydrophobicContact CE2-CG 4.28Å; F321-F350 HydrophobicContact CG-CD1 4.34Å; F321-F350 HydrophobicContact CG-CE1 4.15Å; F321-F350 AromaticContact CZ-CD1 3.98Å; F321-F350 HydrophobicContact CZ-CD1 3.98Å; F321-F350 HydrophobicContact CZ-CE1 4.03Å; V334-F350 HydrophobicContact CG1-CE1 4.34Å; V334-F350 HydrophobicContact CG1-CZ 3.86Å; V334-F350 HydrophobicContact CG2-CZ 4.1Å; L348-F350 PolarHBondContact O-N 2.93Å; F350-V352 HydrophobicContact CD2-CG1 3.99Å; F350-V352 HydrophobicContact CE2-CG1 3.73Å; F350-I375 HydrophobicContact CD1-CB 4.48Å; F350-I375 HydrophobicContact CD2-CB 4.39Å; F350-I375 HydrophobicContact CE1-CB 4.14Å; F350-I375 HydrophobicContact CE1-CG2 3.95Å; F350-I375 HydrophobicContact CE2-CB 4.03Å; F350-I375 HydrophobicContact CE2-CD1 3.79Å; F350-I375 HydrophobicContact CE2-CG1 4.21Å; F350-I375 HydrophobicContact CE2-CG2 4.47Å; F350-I375 HydrophobicContact CZ-CB 3.89Å; F350-I375 HydrophobicContact CZ-CD1 3.92Å; F350-I375 HydrophobicContact CZ-CG1 4.38Å; F350-I375 HydrophobicContact CZ-CG2 3.84Å; F350-I375 PolarHBondContact N-O 3.01Å; F350-I375 PolarHBondContact O-N 2.87Å; F350-I375 VanDerWaalsContact O-O 3.13Å; F350-V377 HydrophobicContact CD1-CG2 4.03Å; F350-V377 HydrophobicContact CE1-CG2 3.64Å
351	S	94.6	Very high	94	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.1	173.7	75.1	0	0	0	0	113	A313 S314 I373	A313-S351 PolarHBondContact N-O 2.84Å; S314-S351 PolarHBondContact N-O 2.83Å; S314-S351 PolarHBondContact O-N 3.23Å; S314-S351 PolarHBondContact OG-OG 3.2Å; S351-I373 VanDerWaalsContact CA-O 3.26Å; S351-I373 WeakPolarHBondContact CA-O 3.48Å; S351-I373 WeakPolarHBondContact CB-O 3.29Å
352	V	95.4	Very high	94	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.3	-179.4	-68.2	0	0	0	0	112	I293 T311 F312 F350 I373 I375	I293-V352 HydrophobicContact CD1-CG2 3.91Å; T311-V352 CarbonylContact O-C 3.59Å; T311-V352 WeakPolarHBondContact O-CA 3.36Å; T311-V352 WeakPolarHBondContact O-CB 3.46Å; F312-V352 HydrophobicContact CD1-CG1 3.79Å; F312-V352 HydrophobicContact CE1-CG1 4.1Å; F312-V352 HydrophobicContact CG-CG1 4.47Å; F350-V352 HydrophobicContact CD2-CG1 3.99Å; F350-V352 HydrophobicContact CE2-CG1 3.73Å; V352-I373 HydrophobicContact CG2-CB 4.36Å; V352-I373 PolarHBondContact N-O 3.42Å; V352-I373 PolarHBondContact O-N 2.81Å; V352-I375 HydrophobicContact CG2-CD1 3.86Å; V352-I375 HydrophobicContact CG2-CG1 4.46Å
353	I	94.7	Very high	93.8	Very high	30 Å²	30	52.9 Å²	52.9	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.3	169.1	-67.6	154.7	0	0	0	107.9	T311 A313 T355 Y368 P370 P372	T311-I353 PolarHBondContact N-O 2.65Å; T311-I353 PolarHBondContact O-N 3.01Å; T311-I353 PolarHBondContact OG1-O 2.82Å; A313-I353 HydrophobicContact CB-CD1 3.68Å; A313-I353 HydrophobicContact CB-CG1 3.99Å; I353-T355 HydrophobicContact CG2-CG2 4.44Å; I353-Y368 WeakPolarHBondContact CG2-OH 3.24Å; I353-P370 HydrophobicContact CD1-CB 3.96Å; I353-P370 HydrophobicContact CG1-CB 4.22Å; I353-P370 HydrophobicContact CG2-CB 3.73Å; I353-P372 HydrophobicContact CD1-CG 4.48Å; I353-P372 HydrophobicContact CG1-CG 4.32Å
354	V	94.9	Very high	93.9	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.9	173	-168	0	0	0	0	109.4	P270 V272 V295 A308 F310 Y368 I373	P270-V354 HydrophobicContact CB-CG1 3.93Å; P270-V354 HydrophobicContact CG-CG1 3.7Å; V272-V354 HydrophobicContact CG2-CG2 3.93Å; V295-V354 HydrophobicContact CG1-CG1 3.92Å; V295-V354 HydrophobicContact CG1-CG2 4.46Å; A308-V354 HydrophobicContact CB-CG1 4.22Å; F310-V354 HydrophobicContact CD1-CG2 3.74Å; F310-V354 HydrophobicContact CE1-CB 4.48Å; F310-V354 HydrophobicContact CE1-CG1 4.17Å; F310-V354 HydrophobicContact CE1-CG2 3.56Å; F310-V354 HydrophobicContact CZ-CG1 4.46Å; V354-Y368 PolarHBondContact O-OH 3.3Å; V354-I373 HydrophobicContact CG2-CD1 3.68Å
355	T	95.2	Very high	93.8	Very high	31 Å²	31	52.4 Å²	52.4	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-178.6	161.6	69.2	0	0	0	0	108.5	A308 N309 I353 F360	A308-T355 CarbonylContact C-O 3.55Å; A308-T355 WeakPolarHBondContact CA-O 3.33Å; N309-T355 PolarHBondContact N-O 2.67Å; N309-T355 PolarHBondContact ND2-OG1 3.24Å; N309-T355 VanDerWaalsContact ND2-OG1 3.11Å; N309-T355 PolarHBondContact O-N 2.69Å; N309-T355 VanDerWaalsContact O-O 3.13Å; I353-T355 HydrophobicContact CG2-CG2 4.44Å; T355-F360 HydrophobicContact CG2-CE2 4.04Å; T355-F360 HydrophobicContact CG2-CZ 4.39Å
356	N	96.3	Very high	93.6	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	171	161.5	-49.4	89.3	0	0	0	110	N266 P270 D297 N305 L307 N309 A358 F360	N266-N356 PolarHBondContact ND2-OD1 3.25Å; N266-N356 VanDerWaalsContact ND2-OD1 3.08Å; P270-N356 WeakPolarHBondContact CD-OD1 3.09Å; D297-N356 PolarHBondContact OD2-ND2 2.71Å; N305-N356 WeakPolarHBondContact O-CB 3.31Å; N305-N356 PolarHBondContact O-ND2 3.24Å; L307-N356 CarbonylContact O-C 3.58Å; L307-N356 WeakPolarHBondContact O-CA 3.5Å; N309-N356 WeakPolarHBondContact CB-O 3.07Å; N356-A358 CarbonylContact C-O 3.5Å; N356-F360 WeakPolarHBondContact OD1-CE1 3.37Å
357	K	95.5	Very high	93.4	Very high	122 Å²	122	58 Å²	58	53%	0.53	30%	0.301	S	S	.	.	S	Bend	trans	-75.9	-37.5	172	-179.9	176.6	172.5	-120.9	0	111.5	D304 L307	D304-K357 HydrophobicContact CB-CB 4.46Å; D304-K357 HydrophobicContact CB-CD 4.48Å; D304-K357 HydrophobicContact CB-CG 4.46Å; D304-K357 PolarHBondContact O-N 2.76Å; D304-K357 WeakPolarHBondContact OD1-CD 3.41Å; D304-K357 IonicContact OD1-NZ 2.69Å; D304-K357 PolarHBondContact OD1-NZ 2.73Å; D304-K357 IonicContact OD2-NZ 2.7Å; D304-K357 PolarHBondContact OD2-NZ 2.73Å; L307-K357 HydrophobicContact CD2-CD 3.89Å; L307-K357 PolarHBondContact O-N 3.42Å
358	A	95.1	Very high	93.3	Very high	25 Å²	25	55.2 Å²	55.2	21%	0.207	28%	0.284	C	S	.	.	S	Bend	trans	-73.2	165.8	165	0	0	0	0	0	111.4	D304 N305 N356	D304-A358 HydrophobicContact CB-CB 4.16Å; D304-A358 VanDerWaalsContact O-CB 3.29Å; D304-A358 WeakPolarHBondContact O-CB 3.33Å; D304-A358 PolarHBondContact O-N 3.16Å; N305-A358 WeakPolarHBondContact OD1-CB 3.42Å; N356-A358 CarbonylContact C-O 3.5Å
359	A	94.8	Very high	93.1	Very high	90 Å²	90	62 Å²	62	74%	0.744	31%	0.312	S	S	*	.			trans	-96.7	126.5	-178.5	0	0	0	0	0	112.1	H361	A359-H361 PolarHBondContact O-N 2.79Å
360	F	95.5	Very high	92.9	Very high	29 Å²	29	62.4 Å²	62.4	13%	0.127	32%	0.319	C	S	.	.			trans	-38.1	123.4	174.9	-62.7	-58.6	0	0	0	114.3	N266 I269 T355 N356 I364 R365 Y368	N266-F360 WeakPolarHBondContact OD1-CA 3.13Å; N266-F360 WeakPolarHBondContact OD1-CD1 3.43Å; N266-F360 PolarHBondContact OD1-N 3.01Å; I269-F360 HydrophobicContact CB-CE1 4.47Å; I269-F360 HydrophobicContact CG1-CD1 4.47Å; I269-F360 HydrophobicContact CG1-CE1 4.02Å; I269-F360 HydrophobicContact CG2-CE1 4.47Å; T355-F360 HydrophobicContact CG2-CE2 4.04Å; T355-F360 HydrophobicContact CG2-CZ 4.39Å; N356-F360 WeakPolarHBondContact OD1-CE1 3.37Å; F360-I364 HydrophobicContact CB-CD1 4.04Å; F360-I364 HydrophobicContact CB-CG1 4.27Å; F360-I364 HydrophobicContact CD1-CD1 3.46Å; F360-I364 VanDerWaalsContact CD1-CD1 3.46Å; F360-I364 HydrophobicContact CE1-CD1 4.27Å; F360-I364 HydrophobicContact CG-CD1 4.1Å; F360-R365 HydrophobicContact CB-CB 4.31Å; F360-Y368 HydrophobicContact CD2-CD1 4.11Å; F360-Y368 HydrophobicContact CD2-CD2 4.47Å; F360-Y368 HydrophobicContact CD2-CG 4.07Å; F360-Y368 HydrophobicContact CE1-CD2 4.27Å; F360-Y368 AromaticContact CE2-CD1 3.64Å; F360-Y368 HydrophobicContact CE2-CD1 3.64Å; F360-Y368 AromaticContact CE2-CD2 3.68Å; F360-Y368 HydrophobicContact CE2-CD2 3.68Å; F360-Y368 AromaticContact CE2-CE1 3.71Å; F360-Y368 HydrophobicContact CE2-CE1 3.71Å; F360-Y368 AromaticContact CE2-CE2 3.75Å; F360-Y368 HydrophobicContact CE2-CE2 3.75Å; F360-Y368 AromaticContact CE2-CG 3.62Å; F360-Y368 HydrophobicContact CE2-CG 3.62Å; F360-Y368 AromaticContact CE2-CZ 3.77Å; F360-Y368 HydrophobicContact CZ-CD1 4.37Å; F360-Y368 AromaticContact CZ-CD2 3.55Å; F360-Y368 HydrophobicContact CZ-CD2 3.55Å; F360-Y368 HydrophobicContact CZ-CE1 4.37Å; F360-Y368 AromaticContact CZ-CE2 3.54Å; F360-Y368 HydrophobicContact CZ-CE2 3.54Å; F360-Y368 AromaticContact CZ-CG 3.98Å; F360-Y368 HydrophobicContact CZ-CG 3.98Å; F360-Y368 AromaticContact CZ-CZ 3.97Å
361	H	94.9	Very high	92.6	Very high	30 Å²	30	66.8 Å²	66.8	14%	0.139	35%	0.346	C	S	.	.			trans	-62.4	157.4	179.2	-178.6	-129.1	0	0	0	112.2	V265 N266 A359 S363 I364 R365	V265-H361 HydrophobicContact CG1-CB 3.64Å; N266-H361 WeakPolarHBondContact O-CB 3.27Å; N266-H361 PolarHBondContact O-N 2.8Å; A359-H361 PolarHBondContact O-N 2.79Å; H361-S363 PolarHBondContact ND1-OG 3.05Å; H361-S363 PolarHBondContact O-N 2.92Å; H361-I364 PolarHBondContact O-N 2.82Å; H361-R365 WeakPolarHBondContact O-CB 3.36Å; H361-R365 PolarHBondContact O-N 3.19Å
362	K	91.4	Very high	92.5	Very high	166 Å²	166	69.5 Å²	69.5	72%	0.722	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.6	-177.5	71.2	-149.1	-179.5	-116	0	114.1
363	S	91	Very high	92.4	Very high	33 Å²	33	71.5 Å²	71.5	23%	0.231	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.8	173.3	50.2	0	0	0	0	113.9	D267 H361 K367	D267-S363 WeakPolarHBondContact OD2-CB 3.39Å; D267-S363 PolarHBondContact OD2-OG 2.98Å; H361-S363 PolarHBondContact ND1-OG 3.05Å; H361-S363 PolarHBondContact O-N 2.92Å; S363-K367 WeakPolarHBondContact O-CE 3.13Å; S363-K367 PolarHBondContact O-NZ 3.44Å
364	I	92.9	Very high	92.4	Very high	8 Å²	8	74.5 Å²	74.5	4%	0.041	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-15.6	-173.4	55.6	149.9	0	0	0	115.2	D267 N268 I269 F360 H361 S366 K367 Y368	D267-I364 VanDerWaalsContact O-CD1 3.27Å; D267-I364 WeakPolarHBondContact O-CD1 3.47Å; D267-I364 WeakPolarHBondContact O-CG2 3.27Å; N268-I364 VanDerWaalsContact O-CD1 3.24Å; N268-I364 WeakPolarHBondContact O-CD1 3.32Å; I269-I364 HydrophobicContact CD1-CD1 4.37Å; I269-I364 HydrophobicContact CG1-CD1 3.77Å; F360-I364 HydrophobicContact CB-CD1 4.04Å; F360-I364 HydrophobicContact CB-CG1 4.27Å; F360-I364 HydrophobicContact CD1-CD1 3.46Å; F360-I364 VanDerWaalsContact CD1-CD1 3.46Å; F360-I364 HydrophobicContact CE1-CD1 4.27Å; F360-I364 HydrophobicContact CG-CD1 4.1Å; H361-I364 PolarHBondContact O-N 2.82Å; I364-S366 PolarHBondContact O-N 2.87Å; I364-K367 HydrophobicContact CG2-CD 4.14Å; I364-K367 WeakPolarHBondContact O-CA 3.44Å; I364-K367 WeakPolarHBondContact O-CB 3.49Å; I364-K367 PolarHBondContact O-N 3.08Å; I364-Y368 PolarHBondContact O-N 2.63Å
365	R	88.1	Confident	92.4	Very high	193 Å²	193	74.2 Å²	74.2	73%	0.728	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.8	-177.9	-169.8	174.2	-179.4	-172.2	3	115.2	F360 H361	F360-R365 HydrophobicContact CB-CB 4.31Å; H361-R365 WeakPolarHBondContact O-CB 3.36Å; H361-R365 PolarHBondContact O-N 3.19Å
366	S	86.9	Confident	92.3	Very high	105 Å²	105	77.1 Å²	77.1	73%	0.734	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-12.6	174.9	57.6	0	0	0	0	114.5	I364	I364-S366 PolarHBondContact O-N 2.87Å
367	K	88.4	Confident	92.2	Very high	138 Å²	138	77 Å²	77	60%	0.6	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-39.8	175	-55.6	175	-169.8	147.9	0	111.1	S363 I364	S363-K367 WeakPolarHBondContact O-CE 3.13Å; S363-K367 PolarHBondContact O-NZ 3.44Å; I364-K367 HydrophobicContact CG2-CD 4.14Å; I364-K367 WeakPolarHBondContact O-CA 3.44Å; I364-K367 WeakPolarHBondContact O-CB 3.49Å; I364-K367 PolarHBondContact O-N 3.08Å
368	Y	90.6	Very high	92.2	Very high	43 Å²	43	75.1 Å²	75.1	17%	0.169	40%	0.395	C	S	.	.			trans	-58.5	137.9	177.2	179.7	-96.1	0	0	0	111.2	I269 I353 V354 F360 I364 P370	I269-Y368 HydrophobicContact CD1-CD2 4.06Å; I269-Y368 HydrophobicContact CG1-CD2 4.21Å; I269-Y368 HydrophobicContact CG2-CD2 3.67Å; I269-Y368 HydrophobicContact CG2-CE2 3.84Å; I353-Y368 WeakPolarHBondContact CG2-OH 3.24Å; V354-Y368 PolarHBondContact O-OH 3.3Å; F360-Y368 HydrophobicContact CD2-CD1 4.11Å; F360-Y368 HydrophobicContact CD2-CD2 4.47Å; F360-Y368 HydrophobicContact CD2-CG 4.07Å; F360-Y368 HydrophobicContact CE1-CD2 4.27Å; F360-Y368 AromaticContact CE2-CD1 3.64Å; F360-Y368 HydrophobicContact CE2-CD1 3.64Å; F360-Y368 AromaticContact CE2-CD2 3.68Å; F360-Y368 HydrophobicContact CE2-CD2 3.68Å; F360-Y368 AromaticContact CE2-CE1 3.71Å; F360-Y368 HydrophobicContact CE2-CE1 3.71Å; F360-Y368 AromaticContact CE2-CE2 3.75Å; F360-Y368 HydrophobicContact CE2-CE2 3.75Å; F360-Y368 AromaticContact CE2-CG 3.62Å; F360-Y368 HydrophobicContact CE2-CG 3.62Å; F360-Y368 AromaticContact CE2-CZ 3.77Å; F360-Y368 HydrophobicContact CZ-CD1 4.37Å; F360-Y368 AromaticContact CZ-CD2 3.55Å; F360-Y368 HydrophobicContact CZ-CD2 3.55Å; F360-Y368 HydrophobicContact CZ-CE1 4.37Å; F360-Y368 AromaticContact CZ-CE2 3.54Å; F360-Y368 HydrophobicContact CZ-CE2 3.54Å; F360-Y368 AromaticContact CZ-CG 3.98Å; F360-Y368 HydrophobicContact CZ-CG 3.98Å; F360-Y368 AromaticContact CZ-CZ 3.97Å; I364-Y368 PolarHBondContact O-N 2.63Å; Y368-P370 HydrophobicContact CE1-CB 3.93Å; Y368-P370 HydrophobicContact CE1-CG 4.36Å
369	K	89.4	Confident	92.2	Very high	160 Å²	160	74.3 Å²	74.3	70%	0.696	39%	0.387	S	S	*	.			trans	-135.7	120.4	169.6	-67.9	-174.4	-180	-179.2	0	108.4	T371	K369-T371 PolarHBondContact O-N 2.75Å; K369-T371 VanDerWaalsContact O-N 3.08Å; K369-T371 PolarHBondContact O-OG1 3.36Å
370	P	89.3	Confident	92.1	Very high	80 Å²	80	74.3 Å²	74.3	52%	0.519	37%	0.37	S	S	.	.			trans	-60.4	118.2	178.4	24.9	-32.6	0	0	0	109	I353 Y368	I353-P370 HydrophobicContact CD1-CB 3.96Å; I353-P370 HydrophobicContact CG1-CB 4.22Å; I353-P370 HydrophobicContact CG2-CB 3.73Å; Y368-P370 HydrophobicContact CE1-CB 3.93Å; Y368-P370 HydrophobicContact CE1-CG 4.36Å
371	T	89.6	Confident	92	Very high	98 Å²	98	76 Å²	76	60%	0.601	38%	0.381	S	S	*	.			trans	-117.9	108.7	-175.8	-59.5	0	0	0	0	107.4	K369 I373	K369-T371 PolarHBondContact O-N 2.75Å; K369-T371 VanDerWaalsContact O-N 3.08Å; K369-T371 PolarHBondContact O-OG1 3.36Å; T371-I373 PolarHBondContact O-N 3.27Å
372	P	93.4	Very high	91.9	Very high	69 Å²	69	77.4 Å²	77.4	45%	0.448	39%	0.391	S	S	.	.			trans	-61.1	124.4	-179.4	-24.7	34.7	0	0	0	111.6	A313 I353 P374	A313-P372 HydrophobicContact CB-CB 4.16Å; A313-P372 HydrophobicContact CB-CG 4.19Å; I353-P372 HydrophobicContact CD1-CG 4.48Å; I353-P372 HydrophobicContact CG1-CG 4.32Å; P372-P374 WeakPolarHBondContact O-CD 3.24Å
373	I	92.9	Very high	91.8	Very high	41 Å²	41	77 Å²	77	21%	0.21	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.4	174.8	-66.9	137.5	0	0	0	107.3	V272 L277 S351 V352 V354 T371	V272-I373 HydrophobicContact CG2-CD1 3.81Å; L277-I373 HydrophobicContact CD1-CG2 3.88Å; S351-I373 VanDerWaalsContact CA-O 3.26Å; S351-I373 WeakPolarHBondContact CA-O 3.48Å; S351-I373 WeakPolarHBondContact CB-O 3.29Å; V352-I373 HydrophobicContact CG2-CB 4.36Å; V352-I373 PolarHBondContact N-O 3.42Å; V352-I373 PolarHBondContact O-N 2.81Å; V354-I373 HydrophobicContact CG2-CD1 3.68Å; T371-I373 PolarHBondContact O-N 3.27Å
374	P	93.8	Very high	91.7	Very high	94 Å²	94	77.2 Å²	77.2	61%	0.61	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	132	179.4	31	-33.5	0	0	0	110.8	P372	P372-P374 WeakPolarHBondContact O-CD 3.24Å
375	I	94.4	Very high	91.5	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.005	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.5	176.4	-54.7	-168.8	0	0	0	107.6	L277 T291 I293 D349 F350 V352 V377	L277-I375 HydrophobicContact CB-CB 4.4Å; L277-I375 HydrophobicContact CB-CD1 4.44Å; L277-I375 HydrophobicContact CB-CG1 4.02Å; L277-I375 HydrophobicContact CB-CG2 4.11Å; L277-I375 HydrophobicContact CD1-CD1 3.78Å; L277-I375 HydrophobicContact CD1-CG1 3.88Å; T291-I375 HydrophobicContact CG2-CG2 4.16Å; I293-I375 HydrophobicContact CD1-CD1 3.42Å; I293-I375 VanDerWaalsContact CD1-CD1 3.42Å; I293-I375 HydrophobicContact CG1-CD1 3.95Å; D349-I375 WeakPolarHBondContact CA-O 3.46Å; F350-I375 HydrophobicContact CD1-CB 4.48Å; F350-I375 HydrophobicContact CD2-CB 4.39Å; F350-I375 HydrophobicContact CE1-CB 4.14Å; F350-I375 HydrophobicContact CE1-CG2 3.95Å; F350-I375 HydrophobicContact CE2-CB 4.03Å; F350-I375 HydrophobicContact CE2-CD1 3.79Å; F350-I375 HydrophobicContact CE2-CG1 4.21Å; F350-I375 HydrophobicContact CE2-CG2 4.47Å; F350-I375 HydrophobicContact CZ-CB 3.89Å; F350-I375 HydrophobicContact CZ-CD1 3.92Å; F350-I375 HydrophobicContact CZ-CG1 4.38Å; F350-I375 HydrophobicContact CZ-CG2 3.84Å; F350-I375 PolarHBondContact N-O 3.01Å; F350-I375 PolarHBondContact O-N 2.87Å; F350-I375 VanDerWaalsContact O-O 3.13Å; V352-I375 HydrophobicContact CG2-CD1 3.86Å; V352-I375 HydrophobicContact CG2-CG1 4.46Å; I375-V377 HydrophobicContact CG2-CG2 4.45Å
376	K	93.9	Very high	91.8	Very high	92 Å²	92	68.5 Å²	68.5	40%	0.4	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.5	179.4	-63.1	-172.2	161.7	-77.8	0	110	L277 E278 G279 D349	L277-K376 PolarHBondContact O-N 3.03Å; E278-K376 CarbonylContact C-O 3.55Å; E278-K376 VanDerWaalsContact CA-O 3.29Å; E278-K376 WeakPolarHBondContact CA-O 3.44Å; E278-K376 HydrophobicContact CG-CB 4.38Å; G279-K376 PolarHBondContact N-O 2.9Å; D349-K376 VanDerWaalsContact OD1-CA 3.24Å; D349-K376 WeakPolarHBondContact OD1-CA 3.44Å; D349-K376 WeakPolarHBondContact OD1-CB 3.38Å; D349-K376 IonicContact OD2-NZ 3.11Å; D349-K376 PolarHBondContact OD2-NZ 2.86Å
377	V	95.1	Very high	92	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.7	176.4	-176.5	0	0	0	0	109	G279 V281 V290 F321 N347 L348 D349 F350 I375	G279-V377 WeakPolarHBondContact O-CA 3.1Å; V281-V377 HydrophobicContact CG1-CG1 3.98Å; V281-V377 HydrophobicContact CG2-CG1 4Å; V290-V377 HydrophobicContact CG1-CG1 3.87Å; V290-V377 HydrophobicContact CG1-CG2 3.77Å; F321-V377 HydrophobicContact CE1-CG2 4.33Å; F321-V377 HydrophobicContact CZ-CB 4.24Å; F321-V377 HydrophobicContact CZ-CG1 4.27Å; F321-V377 HydrophobicContact CZ-CG2 3.95Å; N347-V377 CarbonylContact C-O 3.5Å; N347-V377 VanDerWaalsContact CA-O 3.24Å; N347-V377 WeakPolarHBondContact CA-O 3.26Å; L348-V377 HydrophobicContact CB-CB 4.14Å; L348-V377 HydrophobicContact CB-CG1 4.48Å; L348-V377 PolarHBondContact N-O 2.91Å; L348-V377 WeakPolarHBondContact O-CB 3.34Å; D349-V377 PolarHBondContact OD1-N 2.6Å; F350-V377 HydrophobicContact CD1-CG2 4.03Å; F350-V377 HydrophobicContact CE1-CG2 3.64Å; I375-V377 HydrophobicContact CG2-CG2 4.45Å
378	K	94.1	Very high	92.3	Very high	82 Å²	82	59.2 Å²	59.2	36%	0.357	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.1	176.2	-68.1	160.8	-168.9	166.4	0	108.7	E278 G279 M280 V281	E278-K378 IonicContact OE1-NZ 3.86Å; E278-K378 PolarHBondContact OE1-NZ 3.39Å; E278-K378 IonicContact OE2-NZ 3.58Å; E278-K378 PolarHBondContact OE2-NZ 2.87Å; G279-K378 PolarHBondContact O-N 3.4Å; G279-K378 VanDerWaalsContact O-N 3.08Å; M280-K378 WeakPolarHBondContact CA-O 3.33Å; V281-K378 PolarHBondContact N-O 3.32Å
379	V	95.7	Very high	92.2	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.055	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.1	170.5	-175.1	0	0	0	0	108	V281 E283 V340 Y342 M345 K346 L348	V281-V379 HydrophobicContact CG2-CB 4.4Å; V281-V379 HydrophobicContact CG2-CG1 4.48Å; V281-V379 HydrophobicContact CG2-CG2 3.89Å; V281-V379 CarbonylContact O-C 3.57Å; V281-V379 WeakPolarHBondContact O-CA 3.01Å; E283-V379 HydrophobicContact CB-CG1 3.94Å; V340-V379 HydrophobicContact CG1-CG1 3.94Å; V340-V379 HydrophobicContact CG1-CG2 3.95Å; V340-V379 HydrophobicContact CG2-CG2 3.97Å; Y342-V379 HydrophobicContact CD2-CB 4Å; Y342-V379 HydrophobicContact CD2-CG1 4.02Å; Y342-V379 VanDerWaalsContact CD2-O 3.28Å; Y342-V379 WeakPolarHBondContact CD2-O 3.25Å; Y342-V379 VanDerWaalsContact CE2-O 3.25Å; Y342-V379 WeakPolarHBondContact CE2-O 3.49Å; Y342-V379 HydrophobicContact CG-CG1 4.48Å; M345-V379 WeakPolarHBondContact O-CG2 3.4Å; K346-V379 PolarHBondContact O-N 2.93Å; L348-V379 HydrophobicContact CD1-CG2 4.31Å; L348-V379 HydrophobicContact CG-CG2 4.27Å
380	K	93.4	Very high	92.2	Very high	89 Å²	89	59.3 Å²	59.3	39%	0.387	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.2	177	172.7	-174.8	157	-159.5	0	108.7	M280 V281 E282 E283	M280-K380 HydrophobicContact CE-CD 4.17Å; M280-K380 HydrophobicContact CG-CB 4.35Å; M280-K380 HydrophobicContact SD-CB 4.38Å; V281-K380 WeakPolarHBondContact O-CB 3.27Å; V281-K380 PolarHBondContact O-N 2.73Å; E282-K380 HydrophobicContact CG-CB 4.26Å; E282-K380 HydrophobicContact CG-CD 3.91Å; E282-K380 HydrophobicContact CG-CG 4.37Å; E282-K380 IonicContact OE1-NZ 2.85Å; E282-K380 PolarHBondContact OE1-NZ 3.2Å; E283-K380 PolarHBondContact N-O 3.04Å
381	N	92.9	Very high	92.3	Very high	65 Å²	65	59.2 Å²	59.2	35%	0.348	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-60.2	142	174.1	170.3	-107.2	0	0	0	112.8	E283 Y342 E343	E283-N381 WeakPolarHBondContact OE1-CA 3.2Å; E283-N381 PolarHBondContact OE1-ND2 2.82Å; Y342-N381 HydrophobicContact CD1-CB 3.62Å; Y342-N381 HydrophobicContact CD2-CB 4.28Å; Y342-N381 HydrophobicContact CE1-CB 3.77Å; Y342-N381 HydrophobicContact CE2-CB 4.44Å; Y342-N381 HydrophobicContact CG-CB 3.88Å; E343-N381 PolarHBondContact OE2-ND2 2.92Å
382	V	91.8	Very high	92.4	Very high	59 Å²	59	57.7 Å²	57.7	36%	0.358	31%	0.305	S	S	.	.			trans	-129.2	133.5	177.4	175.7	0	0	0	0	106.8	E282 E283 E384	E282-V382 HydrophobicContact CB-CG2 4.06Å; E282-V382 HydrophobicContact CG-CG2 4.41Å; E283-V382 HydrophobicContact CG-CB 3.94Å; E283-V382 HydrophobicContact CG-CG2 4.12Å; E283-V382 PolarHBondContact OE1-N 3.48Å; V382-E384 WeakPolarHBondContact O-CG 3.47Å; V382-E384 PolarHBondContact O-N 3.32Å
383	K	89.3	Confident	92.4	Very high	157 Å²	157	56.9 Å²	56.9	68%	0.683	30%	0.296	S	S	*	.			trans	-66.8	110.3	-173	-163.5	-162.9	173.8	-172.3	0	112.5	D419	K383-D419 VanDerWaalsContact CA-OD1 3.29Å; K383-D419 WeakPolarHBondContact CA-OD1 3.36Å; K383-D419 WeakPolarHBondContact CE-OD2 3.47Å; K383-D419 WeakPolarHBondContact CG-OD2 3.48Å
384	E	89.1	Confident	92.4	Very high	38 Å²	38	58 Å²	58	18%	0.178	31%	0.308	C	S	.	.			trans	-90.6	-38	-179.1	-61.1	-171.4	108.2	0	0	113.6	N284 V382 E418 D419 K479	N284-E384 PolarHBondContact ND2-OE1 3.12Å; V382-E384 WeakPolarHBondContact O-CG 3.47Å; V382-E384 PolarHBondContact O-N 3.32Å; E384-E418 HydrophobicContact CB-CB 3.93Å; E384-E418 VanDerWaalsContact OE2-CB 3.24Å; E384-E418 WeakPolarHBondContact OE2-CB 3.47Å; E384-E418 WeakPolarHBondContact OE2-CG 3.26Å; E384-D419 PolarHBondContact N-OD1 2.82Å; E384-K479 WeakPolarHBondContact O-CD 3.34Å; E384-K479 WeakPolarHBondContact O-CE 3.34Å; E384-K479 PolarHBondContact O-NZ 2.93Å
385	G	89.9	Confident	92.3	Very high	9 Å²	9	54.1 Å²	54.1	9%	0.093	28%	0.283	C	S	.	.			trans	71.3	-137.1	-173.4	0	0	0	0	0	114.7	D417 E418 D419	G385-D417 WeakPolarHBondContact CA-OD1 3.2Å; G385-E418 PolarHBondContact O-N 3.24Å; G385-D419 WeakPolarHBondContact CA-OD2 3.45Å; G385-D419 PolarHBondContact N-OD2 3.4Å
386	I	92.9	Very high	92.3	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.046	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.5	-165.9	73.3	165.9	0	0	0	115	F416 A424 A426 K479 I481	I386-F416 CarbonylContact C-O 3.53Å; I386-F416 WeakPolarHBondContact CA-O 3.36Å; I386-A424 HydrophobicContact CB-CB 4.15Å; I386-A424 HydrophobicContact CG2-CB 3.53Å; I386-A426 HydrophobicContact CD1-CB 3.97Å; I386-K479 HydrophobicContact CG1-CB 4.14Å; I386-K479 HydrophobicContact CG1-CD 4.34Å; I386-K479 HydrophobicContact CG1-CG 4.2Å; I386-K479 VanDerWaalsContact O-CD 3.23Å; I386-K479 WeakPolarHBondContact O-CD 3.22Å; I386-K479 WeakPolarHBondContact O-CE 3.38Å; I386-K479 PolarHBondContact O-NZ 3.13Å; I386-I481 HydrophobicContact CB-CD1 4.32Å; I386-I481 HydrophobicContact CD1-CD1 3.92Å; I386-I481 HydrophobicContact CD1-CG1 3.9Å; I386-I481 HydrophobicContact CG1-CD1 3.93Å; I386-I481 HydrophobicContact CG1-CG1 4.17Å; I386-I481 HydrophobicContact CG1-CG2 4.36Å; I386-I481 WeakPolarHBondContact O-CG2 3.45Å
387	H	92.8	Very high	92.3	Very high	28 Å²	28	58.6 Å²	58.6	13%	0.13	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	179.9	176.1	77.4	-79.2	0	0	0	113	A415 F416 E418 I481	H387-A415 WeakPolarHBondContact O-CA 3.3Å; H387-F416 VanDerWaalsContact CE1-CB 3.5Å; H387-F416 WeakPolarHBondContact CE1-CB 3.37Å; H387-F416 PolarHBondContact N-O 3.02Å; H387-F416 PolarHBondContact ND1-O 2.8Å; H387-F416 PolarHBondContact O-N 2.89Å; H387-E418 HydrophobicContact CB-CG 4.16Å; H387-E418 WeakPolarHBondContact CB-OE1 3.47Å; H387-E418 WeakPolarHBondContact CB-OE2 3.34Å; H387-E418 IonicContact CD2-OE1 3.53Å; H387-E418 VanDerWaalsContact CG-CD 3.41Å; H387-E418 IonicContact CG-OE1 2.72Å; H387-E418 IonicContact CG-OE2 2.77Å; H387-E418 WeakPolarHBondContact ND1-CA 3.4Å; H387-E418 WeakPolarHBondContact ND1-CG 3.48Å; H387-E418 PolarHBondContact ND1-N 2.92Å; H387-E418 IonicContact ND1-OE1 3.68Å; H387-I481 VanDerWaalsContact C-CD1 3.41Å; H387-I481 WeakPolarHBondContact O-CD1 3.5Å
388	F	93.1	Very high	92.2	Very high	21 Å²	21	58.6 Å²	58.6	9%	0.092	30%	0.3	C	S	.	.			trans	-120.9	128.5	169	-62.1	-58.6	0	0	0	110.2	S390 F413 A415 Y428 A471 I481	F388-S390 PolarHBondContact O-N 3Å; F388-F413 HydrophobicContact CB-CE1 4.34Å; F388-F413 AromaticContact CD1-CD1 3.77Å; F388-F413 HydrophobicContact CD1-CD1 3.77Å; F388-F413 AromaticContact CD1-CE1 3.68Å; F388-F413 HydrophobicContact CD1-CE1 3.68Å; F388-F413 HydrophobicContact CD2-CD1 4.46Å; F388-F413 AromaticContact CD2-CE1 3.73Å; F388-F413 HydrophobicContact CD2-CE1 3.73Å; F388-F413 AromaticContact CE1-CD1 3.48Å; F388-F413 HydrophobicContact CE1-CD1 3.48Å; F388-F413 VanDerWaalsContact CE1-CD1 3.48Å; F388-F413 AromaticContact CE1-CE1 3.74Å; F388-F413 HydrophobicContact CE1-CE1 3.74Å; F388-F413 HydrophobicContact CE2-CD1 4.2Å; F388-F413 AromaticContact CE2-CE1 3.77Å; F388-F413 HydrophobicContact CE2-CE1 3.77Å; F388-F413 HydrophobicContact CG-CD1 4.26Å; F388-F413 AromaticContact CG-CE1 3.68Å; F388-F413 HydrophobicContact CG-CE1 3.68Å; F388-F413 AromaticContact CZ-CD1 3.7Å; F388-F413 HydrophobicContact CZ-CD1 3.7Å; F388-F413 AromaticContact CZ-CE1 3.76Å; F388-F413 HydrophobicContact CZ-CE1 3.76Å; F388-A415 HydrophobicContact CD1-CB 4.18Å; F388-A415 HydrophobicContact CE1-CB 3.85Å; F388-Y428 HydrophobicContact CE1-CE1 4.41Å; F388-A471 HydrophobicContact CE1-CB 3.98Å; F388-A471 HydrophobicContact CZ-CB 3.58Å; F388-I481 HydrophobicContact CD1-CD1 3.89Å; F388-I481 HydrophobicContact CD2-CB 4.17Å; F388-I481 HydrophobicContact CD2-CD1 3.72Å; F388-I481 HydrophobicContact CD2-CG1 4.02Å; F388-I481 HydrophobicContact CE1-CD1 3.75Å; F388-I481 HydrophobicContact CE1-CG1 4.33Å; F388-I481 HydrophobicContact CE2-CB 3.89Å; F388-I481 HydrophobicContact CE2-CD1 3.6Å; F388-I481 HydrophobicContact CE2-CG1 3.5Å; F388-I481 HydrophobicContact CG-CD1 3.88Å; F388-I481 HydrophobicContact CZ-CD1 3.62Å; F388-I481 HydrophobicContact CZ-CG1 3.7Å
389	K	89.1	Confident	92.1	Very high	140 Å²	140	55.6 Å²	55.6	61%	0.609	29%	0.287	S	S	*	.	S	Bend	trans	-61.1	-15.1	177.9	-65.8	-171.5	177.1	-167.3	0	114.6	F416	K389-F416 HydrophobicContact CD-CD1 4.46Å; K389-F416 HydrophobicContact CD-CD2 3.93Å; K389-F416 HydrophobicContact CD-CE1 4.4Å; K389-F416 HydrophobicContact CD-CE2 3.89Å; K389-F416 HydrophobicContact CD-CG 4.23Å; K389-F416 HydrophobicContact CD-CZ 4.13Å; K389-F416 HydrophobicContact CG-CD2 3.74Å; K389-F416 HydrophobicContact CG-CE2 4.06Å; K389-F416 HydrophobicContact CG-CG 4.21Å
390	S	89.9	Confident	91.8	Very high	65 Å²	65	56.5 Å²	56.5	46%	0.455	29%	0.293	S	S	.	.			trans	-148.4	129.5	160.4	177.8	0	0	0	0	107.6	F388 V392	F388-S390 PolarHBondContact O-N 3Å; S390-V392 WeakPolarHBondContact CB-O 3.43Å; S390-V392 PolarHBondContact O-N 2.75Å; S390-V392 PolarHBondContact OG-N 2.81Å; S390-V392 PolarHBondContact OG-O 3.44Å
391	S	90.1	Very high	91.5	Very high	77 Å²	77	58.8 Å²	58.8	54%	0.538	31%	0.307	S	S	.	.	S	Bend	trans	-66.9	-11.1	173.5	-54	0	0	0	0	112.9	G483 T484	S391-G483 CarbonylContact O-C 3.58Å; S391-G483 WeakPolarHBondContact O-CA 3.27Å; S391-T484 PolarHBondContact O-N 3.32Å
392	V	93.3	Very high	91.3	Very high	67 Å²	67	63.2 Å²	63.2	41%	0.406	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.2	178.1	-172.6	0	0	0	0	110.7	S390 T484 L486	S390-V392 WeakPolarHBondContact CB-O 3.43Å; S390-V392 PolarHBondContact O-N 2.75Å; S390-V392 PolarHBondContact OG-N 2.81Å; S390-V392 PolarHBondContact OG-O 3.44Å; V392-T484 CarbonylContact C-O 3.57Å; V392-T484 VanDerWaalsContact CA-O 3.31Å; V392-T484 WeakPolarHBondContact CA-O 3.19Å; V392-L486 HydrophobicContact CG1-CD1 3.69Å; V392-L486 HydrophobicContact CG1-CG 3.82Å
393	I	93	Very high	91	Very high	51 Å²	51	65.2 Å²	65.2	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.5	167.7	-62.9	-175.4	0	0	0	109	T395 F413 T484 V485 L486	I393-T395 HydrophobicContact CG2-CG2 4.22Å; I393-F413 HydrophobicContact CB-CD2 4.18Å; I393-F413 HydrophobicContact CB-CE2 3.79Å; I393-F413 HydrophobicContact CD1-CD2 3.59Å; I393-F413 HydrophobicContact CD1-CE2 3.7Å; I393-F413 HydrophobicContact CD1-CG 4.15Å; I393-F413 HydrophobicContact CD1-CZ 4.31Å; I393-F413 HydrophobicContact CG1-CD2 3.95Å; I393-F413 HydrophobicContact CG1-CE2 3.54Å; I393-F413 HydrophobicContact CG1-CZ 4.12Å; I393-T484 PolarHBondContact N-O 3.21Å; I393-V485 WeakPolarHBondContact O-CA 3.37Å; I393-L486 PolarHBondContact O-N 3.24Å
394	S	92.8	Very high	91.1	Very high	66 Å²	66	57.9 Å²	57.9	46%	0.462	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.7	169.1	47.4	0	0	0	0	110.8	L486	S394-L486 WeakPolarHBondContact CA-O 3.42Å
395	T	92.4	Very high	91.2	Very high	12 Å²	12	59 Å²	59	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.1	173.5	53.7	0	0	0	0	109.2	I393 I410 L486 I487 Y488	I393-T395 HydrophobicContact CG2-CG2 4.22Å; T395-I410 WeakPolarHBondContact CG2-O 3.39Å; T395-L486 PolarHBondContact N-O 2.77Å; T395-I487 WeakPolarHBondContact O-CA 3.08Å; T395-Y488 PolarHBondContact O-N 3Å
396	Y	93.3	Very high	91.2	Very high	174 Å²	174	65.9 Å²	65.9	68%	0.682	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.7	179.6	-61.3	-91.4	0	0	0	110.1	Y488	Y396-Y488 WeakPolarHBondContact CA-O 3.33Å; Y396-Y488 VanDerWaalsContact CD1-CB 3.46Å; Y396-Y488 HydrophobicContact CD1-CD2 4.14Å; Y396-Y488 HydrophobicContact CD1-CG 4Å; Y396-Y488 HydrophobicContact CE1-CD1 4.5Å; Y396-Y488 AromaticContact CE1-CD2 3.67Å; Y396-Y488 HydrophobicContact CE1-CD2 3.67Å; Y396-Y488 HydrophobicContact CE1-CE2 4.48Å; Y396-Y488 AromaticContact CE1-CG 3.68Å; Y396-Y488 HydrophobicContact CE1-CG 3.68Å; Y396-Y488 HydrophobicContact CE2-CD2 4.48Å; Y396-Y488 AromaticContact CZ-CD2 3.86Å
397	V	94	Very high	91	Very high	12 Å²	12	67.7 Å²	67.7	7%	0.073	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	172	176.7	-60.3	0	0	0	0	109.1	I410 L449 P453 I487 Y488 V489 E490	V397-I410 HydrophobicContact CG1-CG2 3.85Å; V397-L449 HydrophobicContact CG1-CD1 4.48Å; V397-P453 HydrophobicContact CB-CG 4.27Å; V397-P453 HydrophobicContact CG2-CB 3.98Å; V397-P453 HydrophobicContact CG2-CG 3.78Å; V397-I487 HydrophobicContact CG1-CG2 4.37Å; V397-I487 HydrophobicContact CG2-CG2 3.54Å; V397-Y488 WeakPolarHBondContact CG2-O 3.22Å; V397-Y488 PolarHBondContact N-O 2.85Å; V397-V489 HydrophobicContact CG2-CG2 4.11Å; V397-V489 CarbonylContact O-C 3.57Å; V397-V489 WeakPolarHBondContact O-CA 3.42Å; V397-E490 WeakPolarHBondContact O-CB 3.39Å; V397-E490 PolarHBondContact O-N 2.87Å
398	S	92.5	Very high	90.9	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.007	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.3	170	179.4	0	0	0	0	109	S400 S404 P453 E490 I492	S398-S400 PolarHBondContact O-N 3.39Å; S398-S400 PolarHBondContact OG-N 3.33Å; S398-S404 PolarHBondContact N-OG 2.94Å; S398-S404 WeakPolarHBondContact O-CB 3.15Å; S398-S404 PolarHBondContact O-OG 3.41Å; S398-P453 WeakPolarHBondContact O-CG 3.11Å; S398-E490 WeakPolarHBondContact CB-O 3.48Å; S398-E490 PolarHBondContact OG-O 2.69Å; S398-I492 VanDerWaalsContact OG-CG1 3.29Å; S398-I492 WeakPolarHBondContact OG-CG1 3.35Å
399	E	92.1	Very high	90.9	Very high	18 Å²	18	73 Å²	73	8%	0.084	39%	0.39	C	S	.	.	S	Bend	trans	-67.2	-24.3	168	54.3	-78.9	133.8	0	0	112.9	M401 P453 F455 V489 D491 I492	E399-M401 PolarHBondContact O-N 2.88Å; E399-M401 VanDerWaalsContact O-N 3.1Å; E399-P453 WeakPolarHBondContact CB-O 3.37Å; E399-F455 VanDerWaalsContact OE2-CB 3.3Å; E399-F455 WeakPolarHBondContact OE2-CB 3.45Å; E399-F455 PolarHBondContact OE2-N 3.22Å; E399-F455 VanDerWaalsContact OE2-N 3.07Å; E399-V489 WeakPolarHBondContact OE2-CG1 3.44Å; E399-D491 WeakPolarHBondContact OE1-CA 3.41Å; E399-I492 HydrophobicContact CG-CB 4.44Å; E399-I492 WeakPolarHBondContact OE1-CB 3.48Å; E399-I492 WeakPolarHBondContact OE1-CG1 3.07Å; E399-I492 PolarHBondContact OE1-N 2.98Å
400	S	90.3	Very high	91.1	Very high	28 Å²	28	67.9 Å²	67.9	20%	0.196	37%	0.37	C	S	.	.			trans	-51.6	119	179	177.3	0	0	0	0	112.2	S398 D402 K403 S404	S398-S400 PolarHBondContact O-N 3.39Å; S398-S400 PolarHBondContact OG-N 3.33Å; S400-D402 PolarHBondContact O-N 3.24Å; S400-D402 PolarHBondContact OG-N 3.23Å; S400-K403 PolarHBondContact O-N 2.58Å; S400-S404 PolarHBondContact O-N 3.28Å
401	M	87.8	Confident	91	Very high	138 Å²	138	65.7 Å²	65.7	68%	0.68	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.2	179.3	-65.4	-172	67.3	0	0	113.7	E399 S404 L452	E399-M401 PolarHBondContact O-N 2.88Å; E399-M401 VanDerWaalsContact O-N 3.1Å; M401-S404 WeakPolarHBondContact CA-O 3.47Å; M401-L452 HydrophobicContact CE-CD1 4.36Å; M401-L452 HydrophobicContact CG-CD1 3.88Å; M401-L452 HydrophobicContact SD-CD1 4.16Å
402	D	87.9	Confident	91.1	Very high	158 Å²	158	67 Å²	67	85%	0.845	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.5	174.8	-67.7	-35.1	0	0	0	112.7	S400	S400-D402 PolarHBondContact O-N 3.24Å; S400-D402 PolarHBondContact OG-N 3.23Å
403	K	86.3	Confident	91	Very high	101 Å²	101	63.9 Å²	63.9	44%	0.439	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-38.1	179.9	-67.9	173.9	-179.2	168.5	0	112.8	S400 Q408 E490	S400-K403 PolarHBondContact O-N 2.58Å; K403-Q408 PolarHBondContact O-NE2 2.84Å; K403-Q408 PolarHBondContact O-OE1 2.73Å; K403-E490 WeakPolarHBondContact CD-OE2 2.85Å; K403-E490 IonicContact NZ-OE1 3.32Å; K403-E490 PolarHBondContact NZ-OE1 2.98Å; K403-E490 IonicContact NZ-OE2 3.87Å; K403-E490 PolarHBondContact NZ-OE2 2.79Å
404	S	90.3	Very high	91	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.014	33%	0.333	C	S	.	.			trans	-117.3	130.5	-176.1	-65.5	0	0	0	0	111.8	S398 S400 M401	S398-S404 PolarHBondContact N-OG 2.94Å; S398-S404 WeakPolarHBondContact O-CB 3.15Å; S398-S404 PolarHBondContact O-OG 3.41Å; S400-S404 PolarHBondContact O-N 3.28Å; M401-S404 WeakPolarHBondContact CA-O 3.47Å
405	S	91.4	Very high	91	Very high	63 Å²	63	60.8 Å²	60.8	44%	0.441	31%	0.311	S	S	.	.			trans	-127.9	137.3	177.4	-85	0	0	0	0	111.7	G407 Q408	S405-G407 PolarHBondContact O-N 2.74Å; S405-Q408 WeakPolarHBondContact O-CB 3.25Å; S405-Q408 PolarHBondContact O-N 3.13Å
406	K	90.7	Very high	90.9	Very high	152 Å²	152	62.1 Å²	62.1	66%	0.661	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	121	172.6	178.2	170.5	174.8	128.1	0	110.3	A450	K406-A450 WeakPolarHBondContact CE-O 3.34Å; K406-A450 PolarHBondContact NZ-O 2.68Å
407	G	87.6	Confident	90.9	Very high	47 Å²	47	55.3 Å²	55.3	49%	0.485	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.6	-8.7	-174.5	0	0	0	0	0	115.3	S405 L449	S405-G407 PolarHBondContact O-N 2.74Å; G407-L449 WeakPolarHBondContact CA-O 3.33Å; G407-L449 PolarHBondContact N-O 3.21Å
408	Q	92	Very high	90.7	Very high	73 Å²	73	57.1 Å²	57.1	34%	0.341	30%	0.299	S	S	.	.			trans	-62.7	138.9	176.6	179.2	171.2	-13	0	0	111.9	K403 S405 K448 L449	K403-Q408 PolarHBondContact O-NE2 2.84Å; K403-Q408 PolarHBondContact O-OE1 2.73Å; S405-Q408 WeakPolarHBondContact O-CB 3.25Å; S405-Q408 PolarHBondContact O-N 3.13Å; Q408-K448 CarbonylContact O-C 3.6Å; Q408-K448 WeakPolarHBondContact O-CA 3.5Å; Q408-L449 PolarHBondContact O-N 3.36Å
409	I	93.1	Very high	90.6	Very high	87 Å²	87	58.5 Å²	58.5	45%	0.446	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.1	172.5	-60	170.9	0	0	0	108.3	I447 K448	I409-I447 WeakPolarHBondContact CA-O 3.13Å; I409-K448 HydrophobicContact CB-CG 4.41Å; I409-K448 HydrophobicContact CG1-CD 4.2Å; I409-K448 VanDerWaalsContact CG1-CE 3.45Å; I409-K448 HydrophobicContact CG1-CG 3.69Å
410	I	91.6	Very high	90.4	Very high	34 Å²	34	61.4 Å²	61.4	17%	0.174	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-13.8	177	53.3	161.7	0	0	0	113.9	T395 V397 I438 I447 L449 I487	T395-I410 WeakPolarHBondContact CG2-O 3.39Å; V397-I410 HydrophobicContact CG1-CG2 3.85Å; I410-I438 HydrophobicContact CD1-CG2 4.42Å; I410-I447 HydrophobicContact CD1-CG2 3.8Å; I410-I447 HydrophobicContact CG1-CB 4.15Å; I410-I447 HydrophobicContact CG1-CG2 3.7Å; I410-I447 PolarHBondContact N-O 3.32Å; I410-L449 HydrophobicContact CB-CD1 4.35Å; I410-L449 HydrophobicContact CD1-CD1 3.72Å; I410-L449 HydrophobicContact CG1-CD1 3.95Å; I410-L449 HydrophobicContact CG2-CD1 3.5Å; I410-I487 HydrophobicContact CD1-CD1 4.22Å
411	G	89.1	Confident	90.2	Very high	19 Å²	19	62 Å²	62	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-177	178.5	0	0	0	0	0	114.2	I447	G411-I447 PolarHBondContact O-N 3.16Å
412	K	91.3	Very high	90.3	Very high	104 Å²	104	61 Å²	61	45%	0.452	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.9	171.9	-60.5	-167.3	178.2	-132.6	0	109.3	Q414 S445 E446	K412-Q414 PolarHBondContact O-N 2.97Å; K412-S445 WeakPolarHBondContact CA-O 3.38Å; K412-E446 HydrophobicContact CD-CG 4.11Å; K412-E446 WeakPolarHBondContact CE-OE1 3.29Å; K412-E446 HydrophobicContact CG-CG 4.04Å; K412-E446 IonicContact NZ-OE1 2.83Å; K412-E446 PolarHBondContact NZ-OE1 3.32Å
413	F	91.6	Very high	90.3	Very high	1 Å²	1	59 Å²	59	0%	0.004	32%	0.322	C	S	.	.			trans	-101.3	63.8	-179.8	-145.5	-75.6	0	0	0	110.9	F388 I393 A415 Y428 S445 I447 I469 V485	F388-F413 HydrophobicContact CB-CE1 4.34Å; F388-F413 AromaticContact CD1-CD1 3.77Å; F388-F413 HydrophobicContact CD1-CD1 3.77Å; F388-F413 AromaticContact CD1-CE1 3.68Å; F388-F413 HydrophobicContact CD1-CE1 3.68Å; F388-F413 HydrophobicContact CD2-CD1 4.46Å; F388-F413 AromaticContact CD2-CE1 3.73Å; F388-F413 HydrophobicContact CD2-CE1 3.73Å; F388-F413 AromaticContact CE1-CD1 3.48Å; F388-F413 HydrophobicContact CE1-CD1 3.48Å; F388-F413 VanDerWaalsContact CE1-CD1 3.48Å; F388-F413 AromaticContact CE1-CE1 3.74Å; F388-F413 HydrophobicContact CE1-CE1 3.74Å; F388-F413 HydrophobicContact CE2-CD1 4.2Å; F388-F413 AromaticContact CE2-CE1 3.77Å; F388-F413 HydrophobicContact CE2-CE1 3.77Å; F388-F413 HydrophobicContact CG-CD1 4.26Å; F388-F413 AromaticContact CG-CE1 3.68Å; F388-F413 HydrophobicContact CG-CE1 3.68Å; F388-F413 AromaticContact CZ-CD1 3.7Å; F388-F413 HydrophobicContact CZ-CD1 3.7Å; F388-F413 AromaticContact CZ-CE1 3.76Å; F388-F413 HydrophobicContact CZ-CE1 3.76Å; I393-F413 HydrophobicContact CB-CD2 4.18Å; I393-F413 HydrophobicContact CB-CE2 3.79Å; I393-F413 HydrophobicContact CD1-CD2 3.59Å; I393-F413 HydrophobicContact CD1-CE2 3.7Å; I393-F413 HydrophobicContact CD1-CG 4.15Å; I393-F413 HydrophobicContact CD1-CZ 4.31Å; I393-F413 HydrophobicContact CG1-CD2 3.95Å; I393-F413 HydrophobicContact CG1-CE2 3.54Å; I393-F413 HydrophobicContact CG1-CZ 4.12Å; F413-A415 PolarHBondContact O-N 3.27Å; F413-Y428 WeakPolarHBondContact O-CE1 3.28Å; F413-S445 PolarHBondContact N-O 2.96Å; F413-S445 PolarHBondContact N-OG 2.81Å; F413-S445 WeakPolarHBondContact O-CB 3.08Å; F413-I447 HydrophobicContact CB-CD1 4.27Å; F413-I447 HydrophobicContact CD2-CD1 4.45Å; F413-I469 HydrophobicContact CB-CD1 3.86Å; F413-I469 HydrophobicContact CB-CG2 4.18Å; F413-I469 HydrophobicContact CD1-CB 4.48Å; F413-I469 HydrophobicContact CD1-CG2 4.29Å; F413-I469 HydrophobicContact CD2-CD1 4.09Å; F413-I469 HydrophobicContact CG-CB 4.31Å; F413-I469 HydrophobicContact CG-CD1 4.07Å; F413-I469 HydrophobicContact CG-CG2 4.24Å; F413-V485 HydrophobicContact CD2-CG2 3.66Å; F413-V485 HydrophobicContact CE2-CG2 3.88Å
414	Q	91.9	Very high	90.5	Very high	52 Å²	52	54.8 Å²	54.8	24%	0.243	31%	0.306	C	S	.	.			trans	-76.3	122.8	-165.5	-175.8	64.4	61.4	0	0	112.2	K412 F416 L423 Y428 S445	K412-Q414 PolarHBondContact O-N 2.97Å; Q414-F416 HydrophobicContact CB-CE2 4.16Å; Q414-F416 HydrophobicContact CG-CE2 3.98Å; Q414-F416 HydrophobicContact CG-CZ 4.07Å; Q414-F416 WeakPolarHBondContact O-CD2 3.37Å; Q414-F416 WeakPolarHBondContact O-CE2 3.41Å; Q414-L423 HydrophobicContact CG-CD2 3.41Å; Q414-L423 VanDerWaalsContact CG-CD2 3.41Å; Q414-Y428 PolarHBondContact NE2-OH 3.49Å; Q414-Y428 VanDerWaalsContact NE2-OH 3.15Å; Q414-S445 PolarHBondContact N-OG 2.78Å
415	A	92.9	Very high	90.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.339	C	S	.	.			trans	-77.5	145.7	169.4	0	0	0	0	0	111.4	H387 F388 F413 A424 A426 Y428 A471 I481	H387-A415 WeakPolarHBondContact O-CA 3.3Å; F388-A415 HydrophobicContact CD1-CB 4.18Å; F388-A415 HydrophobicContact CE1-CB 3.85Å; F413-A415 PolarHBondContact O-N 3.27Å; A415-A424 HydrophobicContact CB-CB 4.2Å; A415-A424 PolarHBondContact O-N 3.01Å; A415-A424 VanDerWaalsContact O-N 3.14Å; A415-A426 HydrophobicContact CB-CB 4.13Å; A415-Y428 HydrophobicContact CB-CE1 4.03Å; A415-Y428 WeakPolarHBondContact CB-OH 3.15Å; A415-Y428 PolarHBondContact N-OH 2.84Å; A415-A471 HydrophobicContact CB-CB 4.22Å; A415-I481 HydrophobicContact CB-CD1 4.08Å
416	F	92.1	Very high	90.4	Very high	40 Å²	40	61.1 Å²	61.1	18%	0.175	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	162.7	174.2	-66.4	-95	0	0	0	109.4	I386 H387 K389 Q414 L422 L423	I386-F416 CarbonylContact C-O 3.53Å; I386-F416 WeakPolarHBondContact CA-O 3.36Å; H387-F416 VanDerWaalsContact CE1-CB 3.5Å; H387-F416 WeakPolarHBondContact CE1-CB 3.37Å; H387-F416 PolarHBondContact N-O 3.02Å; H387-F416 PolarHBondContact ND1-O 2.8Å; H387-F416 PolarHBondContact O-N 2.89Å; K389-F416 HydrophobicContact CD-CD1 4.46Å; K389-F416 HydrophobicContact CD-CD2 3.93Å; K389-F416 HydrophobicContact CD-CE1 4.4Å; K389-F416 HydrophobicContact CD-CE2 3.89Å; K389-F416 HydrophobicContact CD-CG 4.23Å; K389-F416 HydrophobicContact CD-CZ 4.13Å; K389-F416 HydrophobicContact CG-CD2 3.74Å; K389-F416 HydrophobicContact CG-CE2 4.06Å; K389-F416 HydrophobicContact CG-CG 4.21Å; Q414-F416 HydrophobicContact CB-CE2 4.16Å; Q414-F416 HydrophobicContact CG-CE2 3.98Å; Q414-F416 HydrophobicContact CG-CZ 4.07Å; Q414-F416 WeakPolarHBondContact O-CD2 3.37Å; Q414-F416 WeakPolarHBondContact O-CE2 3.41Å; F416-L422 CarbonylContact C-O 3.55Å; F416-L422 VanDerWaalsContact CA-O 3.22Å; F416-L422 WeakPolarHBondContact CA-O 3.35Å; F416-L422 WeakPolarHBondContact CB-O 3.48Å; F416-L423 HydrophobicContact CD1-CD2 4.06Å; F416-L423 HydrophobicContact CE1-CD2 3.51Å; F416-L423 HydrophobicContact CE1-CG 4.29Å; F416-L423 HydrophobicContact CZ-CD2 3.88Å
417	D	92.1	Very high	90.5	Very high	31 Å²	31	61.5 Å²	61.5	17%	0.166	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.5	171.9	-171.5	61.8	0	0	0	106.4	G385 T420 G421 L422 A424	G385-D417 WeakPolarHBondContact CA-OD1 3.2Å; D417-T420 WeakPolarHBondContact CB-OG1 3.44Å; D417-T420 WeakPolarHBondContact OD2-CG2 3.23Å; D417-T420 PolarHBondContact OD2-OG1 2.91Å; D417-G421 VanDerWaalsContact O-CA 3.28Å; D417-G421 WeakPolarHBondContact O-CA 3.5Å; D417-G421 PolarHBondContact O-N 3Å; D417-L422 PolarHBondContact N-O 2.81Å; D417-A424 HydrophobicContact CB-CB 4.35Å
418	E	89.8	Confident	90.8	Very high	50 Å²	50	59.5 Å²	59.5	23%	0.234	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-61.5	-174.6	-120.5	137.4	-156.6	0	0	109.6	E384 G385 H387 T420 G421 K479	E384-E418 HydrophobicContact CB-CB 3.93Å; E384-E418 VanDerWaalsContact OE2-CB 3.24Å; E384-E418 WeakPolarHBondContact OE2-CB 3.47Å; E384-E418 WeakPolarHBondContact OE2-CG 3.26Å; G385-E418 PolarHBondContact O-N 3.24Å; H387-E418 HydrophobicContact CB-CG 4.16Å; H387-E418 WeakPolarHBondContact CB-OE1 3.47Å; H387-E418 WeakPolarHBondContact CB-OE2 3.34Å; H387-E418 IonicContact CD2-OE1 3.53Å; H387-E418 VanDerWaalsContact CG-CD 3.41Å; H387-E418 IonicContact CG-OE1 2.72Å; H387-E418 IonicContact CG-OE2 2.77Å; H387-E418 WeakPolarHBondContact ND1-CA 3.4Å; H387-E418 WeakPolarHBondContact ND1-CG 3.48Å; H387-E418 PolarHBondContact ND1-N 2.92Å; H387-E418 IonicContact ND1-OE1 3.68Å; E418-T420 PolarHBondContact O-N 3.28Å; E418-G421 PolarHBondContact O-N 3.42Å; E418-K479 IonicContact OE2-NZ 3.19Å; E418-K479 PolarHBondContact OE2-NZ 2.86Å; E418-K479 VanDerWaalsContact OE2-NZ 3.08Å
419	D	90.1	Very high	90.9	Very high	31 Å²	31	58.8 Å²	58.8	17%	0.166	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.2	-25.2	177.1	-52	-56.2	0	0	0	116.1	K383 E384 G385	K383-D419 VanDerWaalsContact CA-OD1 3.29Å; K383-D419 WeakPolarHBondContact CA-OD1 3.36Å; K383-D419 WeakPolarHBondContact CE-OD2 3.47Å; K383-D419 WeakPolarHBondContact CG-OD2 3.48Å; E384-D419 PolarHBondContact N-OD1 2.82Å; G385-D419 WeakPolarHBondContact CA-OD2 3.45Å; G385-D419 PolarHBondContact N-OD2 3.4Å
420	T	88.1	Confident	91	Very high	78 Å²	78	57.4 Å²	57.4	48%	0.479	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-11.2	-174.9	66.4	0	0	0	0	114.4	D417 E418 L422	D417-T420 WeakPolarHBondContact CB-OG1 3.44Å; D417-T420 WeakPolarHBondContact OD2-CG2 3.23Å; D417-T420 PolarHBondContact OD2-OG1 2.91Å; E418-T420 PolarHBondContact O-N 3.28Å; T420-L422 PolarHBondContact O-N 2.84Å; T420-L422 VanDerWaalsContact O-N 3.13Å; T420-L422 PolarHBondContact OG1-N 3.2Å
421	G	86.5	Confident	90.9	Very high	41 Å²	41	59.5 Å²	59.5	42%	0.423	30%	0.299	S	S	.	.			trans	62.9	5.6	-171.3	0	0	0	0	0	115.5	D417 E418	D417-G421 VanDerWaalsContact O-CA 3.28Å; D417-G421 WeakPolarHBondContact O-CA 3.5Å; D417-G421 PolarHBondContact O-N 3Å; E418-G421 PolarHBondContact O-N 3.42Å
422	L	90.1	Very high	91.1	Very high	117 Å²	117	63.4 Å²	63.4	61%	0.613	31%	0.312	S	S	*	.	S	Bend	trans	-89	170.3	-173.4	-65.3	179.7	0	0	0	112.8	F416 D417 T420 A424	F416-L422 CarbonylContact C-O 3.55Å; F416-L422 VanDerWaalsContact CA-O 3.22Å; F416-L422 WeakPolarHBondContact CA-O 3.35Å; F416-L422 WeakPolarHBondContact CB-O 3.48Å; D417-L422 PolarHBondContact N-O 2.81Å; T420-L422 PolarHBondContact O-N 2.84Å; T420-L422 VanDerWaalsContact O-N 3.13Å; T420-L422 PolarHBondContact OG1-N 3.2Å; L422-A424 PolarHBondContact O-N 2.84Å
423	L	88.7	Confident	91.2	Very high	116 Å²	116	59 Å²	59	61%	0.607	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-70	117.5	175.8	-68.9	167.7	0	0	0	110.4	Q414 F416	Q414-L423 HydrophobicContact CG-CD2 3.41Å; Q414-L423 VanDerWaalsContact CG-CD2 3.41Å; F416-L423 HydrophobicContact CD1-CD2 4.06Å; F416-L423 HydrophobicContact CE1-CD2 3.51Å; F416-L423 HydrophobicContact CE1-CG 4.29Å; F416-L423 HydrophobicContact CZ-CD2 3.88Å
424	A	88.9	Confident	91.3	Very high	13 Å²	13	67.4 Å²	67.4	11%	0.107	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.4	144.1	-180	0	0	0	0	0	112.2	I386 A415 D417 L422 A426	I386-A424 HydrophobicContact CB-CB 4.15Å; I386-A424 HydrophobicContact CG2-CB 3.53Å; A415-A424 HydrophobicContact CB-CB 4.2Å; A415-A424 PolarHBondContact O-N 3.01Å; A415-A424 VanDerWaalsContact O-N 3.14Å; D417-A424 HydrophobicContact CB-CB 4.35Å; L422-A424 PolarHBondContact O-N 2.84Å; A424-A426 PolarHBondContact O-N 2.85Å
425	R	88.6	Confident	91.4	Very high	188 Å²	188	66.9 Å²	66.9	71%	0.709	32%	0.324	S	S	*	.			trans	-85.1	93.3	166.1	-72.8	-175	55.4	164.9	-1.1	109.6	E474	R425-E474 IonicContact CZ-OE2 2.95Å; R425-E474 IonicContact NE-OE2 3.73Å; R425-E474 PolarHBondContact NE-OE2 2.99Å; R425-E474 IonicContact NH2-OE1 2.66Å; R425-E474 IonicContact NH2-OE2 3.62Å; R425-E474 PolarHBondContact NH2-OE2 3.28Å; R425-E474 PolarHBondContact O-N 3.18Å
426	A	91.4	Very high	91.5	Very high	9 Å²	9	71.3 Å²	71.3	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.9	177.9	0	0	0	0	0	111.1	I386 A415 A424 Y428 A471 I472	I386-A426 HydrophobicContact CD1-CB 3.97Å; A415-A426 HydrophobicContact CB-CB 4.13Å; A424-A426 PolarHBondContact O-N 2.85Å; A426-Y428 WeakPolarHBondContact O-CD2 3.38Å; A426-Y428 VanDerWaalsContact O-CE2 3.23Å; A426-Y428 WeakPolarHBondContact O-CE2 3.24Å; A426-A471 HydrophobicContact CB-CB 3.98Å; A426-I472 CarbonylContact C-O 3.55Å; A426-I472 VanDerWaalsContact CA-O 3.25Å; A426-I472 WeakPolarHBondContact CA-O 3.46Å
427	R	93.3	Very high	91.6	Very high	161 Å²	161	69.7 Å²	69.7	61%	0.608	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	123	170.5	-177	-178.2	177	-148.7	-2.9	109.4	S442 I472	R427-S442 WeakPolarHBondContact CA-O 3.34Å; R427-I472 PolarHBondContact N-O 2.89Å; R427-I472 PolarHBondContact O-N 2.85Å
428	Y	94.7	Very high	91.7	Very high	5 Å²	5	68.3 Å²	68.3	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.3	-177.6	-55.6	-88.7	0	0	0	111.9	F388 F413 Q414 A415 A426 S442 V470 A471	F388-Y428 HydrophobicContact CE1-CE1 4.41Å; F413-Y428 WeakPolarHBondContact O-CE1 3.28Å; Q414-Y428 PolarHBondContact NE2-OH 3.49Å; Q414-Y428 VanDerWaalsContact NE2-OH 3.15Å; A415-Y428 HydrophobicContact CB-CE1 4.03Å; A415-Y428 WeakPolarHBondContact CB-OH 3.15Å; A415-Y428 PolarHBondContact N-OH 2.84Å; A426-Y428 WeakPolarHBondContact O-CD2 3.38Å; A426-Y428 VanDerWaalsContact O-CE2 3.23Å; A426-Y428 WeakPolarHBondContact O-CE2 3.24Å; Y428-S442 PolarHBondContact N-O 2.71Å; Y428-S442 WeakPolarHBondContact O-CA 3.26Å; Y428-S442 WeakPolarHBondContact O-CB 3.24Å; Y428-V470 CarbonylContact C-O 3.56Å; Y428-V470 WeakPolarHBondContact CA-O 3.2Å; Y428-A471 HydrophobicContact CD1-CB 3.67Å; Y428-A471 HydrophobicContact CE1-CB 3.64Å
429	V	93.6	Very high	91.9	Very high	57 Å²	57	69 Å²	69	35%	0.345	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.1	-178.2	-175.6	0	0	0	0	109.4	V470 I472	V429-V470 PolarHBondContact N-O 3.31Å; V429-V470 PolarHBondContact O-N 3.08Å; V429-I472 HydrophobicContact CG2-CD1 4.43Å
430	K	94	Very high	92.1	Very high	58 Å²	58	68.9 Å²	68.9	25%	0.252	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139	176.4	-172.2	-179	74.9	164.5	0	110.7	D433 N436 I438 L440 V467	K430-D433 HydrophobicContact CD-CB 3.61Å; K430-D433 VanDerWaalsContact CD-OD2 3.3Å; K430-D433 WeakPolarHBondContact CD-OD2 3.39Å; K430-D433 WeakPolarHBondContact CE-OD2 3.15Å; K430-D433 HydrophobicContact CG-CB 3.99Å; K430-D433 IonicContact NZ-OD2 2.68Å; K430-D433 PolarHBondContact NZ-OD2 3.45Å; K430-N436 PolarHBondContact NZ-OD1 3.33Å; K430-I438 HydrophobicContact CD-CD1 4.3Å; K430-I438 HydrophobicContact CD-CG1 3.59Å; K430-I438 WeakPolarHBondContact CD-O 3.36Å; K430-I438 HydrophobicContact CG-CG1 4.3Å; K430-I438 PolarHBondContact NZ-O 2.83Å; K430-L440 HydrophobicContact CB-CB 4.49Å; K430-L440 HydrophobicContact CB-CD2 4.4Å; K430-V467 HydrophobicContact CG-CG1 4.08Å
431	L	91.3	Very high	92.4	Very high	78 Å²	78	67.6 Å²	67.6	41%	0.408	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149	180	-166.1	71.8	0	0	0	110.3	D433 K468 V470	L431-D433 PolarHBondContact O-N 2.82Å; L431-K468 HydrophobicContact CB-CB 4.05Å; L431-K468 HydrophobicContact CD2-CB 4.46Å; L431-K468 PolarHBondContact N-O 3.47Å; L431-K468 PolarHBondContact O-N 2.85Å; L431-V470 HydrophobicContact CB-CG2 4.16Å; L431-V470 HydrophobicContact CD2-CG2 3.9Å
432	E	91.4	Very high	92.6	Very high	102 Å²	102	68.2 Å²	68.2	48%	0.477	33%	0.331	S	S	.	.			trans	58	9.8	174.4	-74.4	173.1	-131.2	0	0	118.1	R434 K468	E432-R434 WeakPolarHBondContact O-CG 3.18Å; E432-R434 PolarHBondContact O-N 3.27Å; E432-K468 WeakPolarHBondContact OE1-CD 3.44Å; E432-K468 IonicContact OE1-NZ 2.64Å; E432-K468 PolarHBondContact OE1-NZ 3.03Å; E432-K468 WeakPolarHBondContact OE2-CE 3.5Å; E432-K468 IonicContact OE2-NZ 3.59Å; E432-K468 PolarHBondContact OE2-NZ 2.99Å
433	D	94.1	Very high	92.6	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.059	33%	0.334	C	S	.	.			trans	-70	84.8	172.2	-173.2	0.8	0	0	0	111.8	K430 L431 D435 N436 W437 I438 Y465 V467	K430-D433 HydrophobicContact CD-CB 3.61Å; K430-D433 VanDerWaalsContact CD-OD2 3.3Å; K430-D433 WeakPolarHBondContact CD-OD2 3.39Å; K430-D433 WeakPolarHBondContact CE-OD2 3.15Å; K430-D433 HydrophobicContact CG-CB 3.99Å; K430-D433 IonicContact NZ-OD2 2.68Å; K430-D433 PolarHBondContact NZ-OD2 3.45Å; L431-D433 PolarHBondContact O-N 2.82Å; D433-D435 VanDerWaalsContact C-N 3.32Å; D433-D435 PolarHBondContact O-N 3.32Å; D433-N436 VanDerWaalsContact CG-CA 3.47Å; D433-N436 PolarHBondContact O-N 2.83Å; D433-N436 WeakPolarHBondContact OD1-CA 3.29Å; D433-N436 PolarHBondContact OD1-N 3.17Å; D433-N436 VanDerWaalsContact OD1-N 3.11Å; D433-N436 VanDerWaalsContact OD2-CA 3.27Å; D433-N436 WeakPolarHBondContact OD2-CA 3.48Å; D433-W437 PolarHBondContact OD1-N 2.82Å; D433-W437 PolarHBondContact OD2-N 3.05Å; D433-W437 VanDerWaalsContact OD2-N 3.1Å; D433-I438 PolarHBondContact OD2-N 2.8Å; D433-Y465 WeakPolarHBondContact OD1-CE1 3.34Å; D433-Y465 PolarHBondContact OD1-OH 3.23Å; D433-V467 HydrophobicContact CB-CG1 3.73Å; D433-V467 HydrophobicContact CB-CG2 4.18Å
434	R	93.3	Very high	92.7	Very high	178 Å²	178	64.7 Å²	64.7	67%	0.672	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.9	-168.4	-64.4	-173.2	178.1	-169.4	-0.9	114	E432 Y459 Y465	E432-R434 WeakPolarHBondContact O-CG 3.18Å; E432-R434 PolarHBondContact O-N 3.27Å; R434-Y459 HydrophobicContact CB-CD1 4Å; R434-Y459 HydrophobicContact CB-CE1 4.02Å; R434-Y459 HydrophobicContact CB-CG 4.3Å; R434-Y465 PolarHBondContact N-OH 2.93Å
435	D	94.1	Very high	92.8	Very high	40 Å²	40	64 Å²	64	21%	0.214	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	4.1	-178.5	-167	46.5	0	0	0	114	D433 W437 K451 Y459 Y465	D433-D435 VanDerWaalsContact C-N 3.32Å; D433-D435 PolarHBondContact O-N 3.32Å; D435-W437 VanDerWaalsContact OD2-CD1 3.25Å; D435-W437 PolarHBondContact OD2-NE1 2.66Å; D435-K451 WeakPolarHBondContact O-CD 3.29Å; D435-K451 VanDerWaalsContact O-CE 3.29Å; D435-K451 WeakPolarHBondContact O-CE 3.31Å; D435-K451 PolarHBondContact O-NZ 3.25Å; D435-K451 IonicContact OD1-NZ 3.12Å; D435-K451 PolarHBondContact OD1-NZ 2.77Å; D435-K451 WeakPolarHBondContact OD2-CD 3.44Å; D435-K451 IonicContact OD2-NZ 2.65Å; D435-K451 PolarHBondContact OD2-NZ 2.73Å; D435-Y459 HydrophobicContact CB-CD2 3.69Å; D435-Y459 HydrophobicContact CB-CE2 3.74Å; D435-Y465 HydrophobicContact CB-CE2 4.43Å; D435-Y465 PolarHBondContact N-OH 2.72Å
436	N	94.6	Very high	93.1	Very high	93 Å²	93	56.9 Å²	56.9	50%	0.497	29%	0.288	S	S	.	.			trans	59.4	46.5	-177.6	-73	-85.1	0	0	0	114.1	K430 D433	K430-N436 PolarHBondContact NZ-OD1 3.33Å; D433-N436 VanDerWaalsContact CG-CA 3.47Å; D433-N436 PolarHBondContact O-N 2.83Å; D433-N436 WeakPolarHBondContact OD1-CA 3.29Å; D433-N436 PolarHBondContact OD1-N 3.17Å; D433-N436 VanDerWaalsContact OD1-N 3.11Å; D433-N436 VanDerWaalsContact OD2-CA 3.27Å; D433-N436 WeakPolarHBondContact OD2-CA 3.48Å
437	W	94.4	Very high	93.2	Very high	6 Å²	6	56.4 Å²	56.4	2%	0.023	29%	0.285	C	S	.	.			trans	-68.3	-33.6	176.9	-80.7	23.9	0	0	0	113.4	D433 D435 A450 K451 P453 D454 V460 Y465 V489	D433-W437 PolarHBondContact OD1-N 2.82Å; D433-W437 PolarHBondContact OD2-N 3.05Å; D433-W437 VanDerWaalsContact OD2-N 3.1Å; D435-W437 VanDerWaalsContact OD2-CD1 3.25Å; D435-W437 PolarHBondContact OD2-NE1 2.66Å; W437-A450 PolarHBondContact O-N 2.95Å; W437-K451 PolarHBondContact O-N 2.82Å; W437-P453 HydrophobicContact CE3-CB 4Å; W437-P453 HydrophobicContact CH2-CB 3.79Å; W437-P453 HydrophobicContact CZ2-CB 4.48Å; W437-P453 HydrophobicContact CZ3-CB 3.51Å; W437-D454 WeakPolarHBondContact CH2-O 3.3Å; W437-D454 WeakPolarHBondContact CZ2-O 3.35Å; W437-V460 HydrophobicContact CH2-CG2 3.53Å; W437-V460 HydrophobicContact CZ2-CG2 4.14Å; W437-V460 HydrophobicContact CZ3-CG2 4.35Å; W437-Y465 HydrophobicContact CB-CD1 4.3Å; W437-Y465 HydrophobicContact CB-CE1 3.71Å; W437-Y465 AromaticContact CD2-CD1 3.88Å; W437-Y465 HydrophobicContact CD2-CD1 3.88Å; W437-Y465 AromaticContact CD2-CD2 3.97Å; W437-Y465 HydrophobicContact CD2-CD2 3.97Å; W437-Y465 AromaticContact CD2-CE1 3.89Å; W437-Y465 HydrophobicContact CD2-CE1 3.89Å; W437-Y465 AromaticContact CD2-CE2 4Å; W437-Y465 HydrophobicContact CD2-CE2 4Å; W437-Y465 AromaticContact CD2-CG 3.92Å; W437-Y465 HydrophobicContact CD2-CG 3.92Å; W437-Y465 AromaticContact CD2-CZ 3.95Å; W437-Y465 AromaticContact CE3-CD1 3.52Å; W437-Y465 HydrophobicContact CE3-CD1 3.52Å; W437-Y465 AromaticContact CE3-CD2 3.96Å; W437-Y465 HydrophobicContact CE3-CD2 3.96Å; W437-Y465 HydrophobicContact CE3-CE1 4.01Å; W437-Y465 HydrophobicContact CE3-CE2 4.41Å; W437-Y465 AromaticContact CE3-CG 3.48Å; W437-Y465 HydrophobicContact CE3-CG 3.48Å; W437-Y465 VanDerWaalsContact CE3-CG 3.48Å; W437-Y465 HydrophobicContact CG-CD1 4.23Å; W437-Y465 AromaticContact CG-CE1 3.76Å; W437-Y465 HydrophobicContact CG-CE1 3.76Å; W437-Y465 HydrophobicContact CG-CE2 4.23Å; W437-Y465 AromaticContact CG-CZ 3.77Å; W437-Y465 HydrophobicContact CH2-CD2 4.14Å; W437-Y465 HydrophobicContact CH2-CG 4.19Å; W437-Y465 HydrophobicContact CZ2-CD2 4.16Å; W437-Y465 VanDerWaalsContact CZ3-CB 3.44Å; W437-Y465 HydrophobicContact CZ3-CD1 4.13Å; W437-Y465 HydrophobicContact CZ3-CD2 4.04Å; W437-Y465 AromaticContact CZ3-CG 3.63Å; W437-Y465 HydrophobicContact CZ3-CG 3.63Å; W437-V489 HydrophobicContact CH2-CG2 3.98Å; W437-V489 HydrophobicContact CZ3-CG2 3.71Å
438	I	95.1	Very high	93.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.1	-176.3	71.7	173.3	0	0	0	114.1	I410 K430 D433 I447 K448 V467 I469 I487	I410-I438 HydrophobicContact CD1-CG2 4.42Å; K430-I438 HydrophobicContact CD-CD1 4.3Å; K430-I438 HydrophobicContact CD-CG1 3.59Å; K430-I438 WeakPolarHBondContact CD-O 3.36Å; K430-I438 HydrophobicContact CG-CG1 4.3Å; K430-I438 PolarHBondContact NZ-O 2.83Å; D433-I438 PolarHBondContact OD2-N 2.8Å; I438-I447 HydrophobicContact CB-CG2 3.97Å; I438-I447 HydrophobicContact CD1-CG2 3.87Å; I438-I447 HydrophobicContact CG1-CG2 4.47Å; I438-I447 HydrophobicContact CG2-CG2 3.97Å; I438-K448 CarbonylContact C-O 3.49Å; I438-K448 WeakPolarHBondContact CA-O 3.33Å; I438-V467 HydrophobicContact CD1-CB 4.08Å; I438-V467 HydrophobicContact CD1-CG1 3.62Å; I438-V467 HydrophobicContact CD1-CG2 4.26Å; I438-V467 HydrophobicContact CG1-CG1 4.13Å; I438-V467 HydrophobicContact CG1-CG2 4.46Å; I438-I469 HydrophobicContact CD1-CD1 4.44Å; I438-I487 HydrophobicContact CG2-CD1 3.57Å
439	S	93.7	Very high	93.3	Very high	66 Å²	66	51.8 Å²	51.8	46%	0.462	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.1	164.4	-173.9	0	0	0	0	108.7	K448	S439-K448 PolarHBondContact N-O 3.29Å; S439-K448 PolarHBondContact O-N 3.07Å
440	L	94.4	Very high	93.3	Very high	27 Å²	27	50.5 Å²	50.5	14%	0.141	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	-175.2	178.9	62.8	0	0	0	109.9	K430 S442 E446 I447 I469	K430-L440 HydrophobicContact CB-CB 4.49Å; K430-L440 HydrophobicContact CB-CD2 4.4Å; L440-S442 PolarHBondContact O-N 2.86Å; L440-E446 WeakPolarHBondContact CA-O 3.48Å; L440-I447 HydrophobicContact CD1-CG1 4.07Å; L440-I469 HydrophobicContact CD1-CD1 4.09Å; L440-I469 HydrophobicContact CD2-CB 4.44Å; L440-I469 HydrophobicContact CD2-CD1 4.12Å; L440-I469 HydrophobicContact CD2-CG1 4.06Å; L440-I469 HydrophobicContact CD2-CG2 3.72Å
441	D	94.1	Very high	93.2	Very high	51 Å²	51	51.4 Å²	51.4	27%	0.273	27%	0.269	S	S	.	.			trans	-73.9	114.8	170.8	-175.3	-26.2	0	0	0	110.4	V443 T444 S445 E446	D441-V443 PolarHBondContact O-N 3.45Å; D441-V443 VanDerWaalsContact O-N 3.07Å; D441-V443 PolarHBondContact OD1-N 2.77Å; D441-T444 VanDerWaalsContact CB-OG1 3.26Å; D441-T444 WeakPolarHBondContact CB-OG1 3.17Å; D441-T444 PolarHBondContact OD1-N 3.11Å; D441-T444 VanDerWaalsContact OD1-N 3.13Å; D441-T444 WeakPolarHBondContact OD2-CB 3.1Å; D441-T444 WeakPolarHBondContact OD2-CG2 3.15Å; D441-T444 PolarHBondContact OD2-OG1 3.17Å; D441-S445 WeakPolarHBondContact O-CA 3.39Å; D441-S445 PolarHBondContact O-N 3.33Å; D441-S445 VanDerWaalsContact O-N 3.09Å; D441-E446 HydrophobicContact CB-CB 4.16Å; D441-E446 PolarHBondContact N-O 3.05Å
442	S	91.7	Very high	93.2	Very high	54 Å²	54	50.6 Å²	50.6	38%	0.378	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.7	-178.9	63.7	0	0	0	0	115.7	R427 Y428 L440	R427-S442 WeakPolarHBondContact CA-O 3.34Å; Y428-S442 PolarHBondContact N-O 2.71Å; Y428-S442 WeakPolarHBondContact O-CA 3.26Å; Y428-S442 WeakPolarHBondContact O-CB 3.24Å; L440-S442 PolarHBondContact O-N 2.86Å
443	V	90.1	Very high	93.3	Very high	111 Å²	111	46 Å²	46	67%	0.673	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-43.7	179.1	-175.7	0	0	0	0	111.9	D441	D441-V443 PolarHBondContact O-N 3.45Å; D441-V443 VanDerWaalsContact O-N 3.07Å; D441-V443 PolarHBondContact OD1-N 2.77Å
444	T	89.9	Confident	93.3	Very high	48 Å²	48	48.5 Å²	48.5	29%	0.294	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.1	-173.6	71.5	0	0	0	0	115	D441 E446	D441-T444 VanDerWaalsContact CB-OG1 3.26Å; D441-T444 WeakPolarHBondContact CB-OG1 3.17Å; D441-T444 PolarHBondContact OD1-N 3.11Å; D441-T444 VanDerWaalsContact OD1-N 3.13Å; D441-T444 WeakPolarHBondContact OD2-CB 3.1Å; D441-T444 WeakPolarHBondContact OD2-CG2 3.15Å; D441-T444 PolarHBondContact OD2-OG1 3.17Å; T444-E446 PolarHBondContact O-N 2.92Å; T444-E446 VanDerWaalsContact O-N 3.15Å; T444-E446 WeakPolarHBondContact OG1-CG 3.43Å
445	S	92.3	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.			trans	59.7	9.9	-172.6	78.2	0	0	0	0	115.8	K412 F413 Q414 D441 I447	K412-S445 WeakPolarHBondContact CA-O 3.38Å; F413-S445 PolarHBondContact N-O 2.96Å; F413-S445 PolarHBondContact N-OG 2.81Å; F413-S445 WeakPolarHBondContact O-CB 3.08Å; Q414-S445 PolarHBondContact N-OG 2.78Å; D441-S445 WeakPolarHBondContact O-CA 3.39Å; D441-S445 PolarHBondContact O-N 3.33Å; D441-S445 VanDerWaalsContact O-N 3.09Å; S445-I447 PolarHBondContact O-N 2.76Å
446	E	94.1	Very high	93.4	Very high	37 Å²	37	42.3 Å²	42.3	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	122.4	178.2	-77.8	-178.6	-178.1	0	0	112	K412 L440 D441 T444 K448	K412-E446 HydrophobicContact CD-CG 4.11Å; K412-E446 WeakPolarHBondContact CE-OE1 3.29Å; K412-E446 HydrophobicContact CG-CG 4.04Å; K412-E446 IonicContact NZ-OE1 2.83Å; K412-E446 PolarHBondContact NZ-OE1 3.32Å; L440-E446 WeakPolarHBondContact CA-O 3.48Å; D441-E446 HydrophobicContact CB-CB 4.16Å; D441-E446 PolarHBondContact N-O 3.05Å; T444-E446 PolarHBondContact O-N 2.92Å; T444-E446 VanDerWaalsContact O-N 3.15Å; T444-E446 WeakPolarHBondContact OG1-CG 3.43Å; E446-K448 WeakPolarHBondContact OE2-CE 3.4Å; E446-K448 IonicContact OE2-NZ 2.69Å; E446-K448 PolarHBondContact OE2-NZ 2.86Å
447	I	94.3	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.6	174.1	-54.5	164.2	0	0	0	108.8	I409 I410 G411 F413 I438 L440 S445 I469 V485	I409-I447 WeakPolarHBondContact CA-O 3.13Å; I410-I447 HydrophobicContact CD1-CG2 3.8Å; I410-I447 HydrophobicContact CG1-CB 4.15Å; I410-I447 HydrophobicContact CG1-CG2 3.7Å; I410-I447 PolarHBondContact N-O 3.32Å; G411-I447 PolarHBondContact O-N 3.16Å; F413-I447 HydrophobicContact CB-CD1 4.27Å; F413-I447 HydrophobicContact CD2-CD1 4.45Å; I438-I447 HydrophobicContact CB-CG2 3.97Å; I438-I447 HydrophobicContact CD1-CG2 3.87Å; I438-I447 HydrophobicContact CG1-CG2 4.47Å; I438-I447 HydrophobicContact CG2-CG2 3.97Å; L440-I447 HydrophobicContact CD1-CG1 4.07Å; S445-I447 PolarHBondContact O-N 2.76Å; I447-I469 HydrophobicContact CD1-CD1 3.77Å; I447-I469 HydrophobicContact CG1-CD1 3.85Å; I447-V485 HydrophobicContact CD1-CG1 4.46Å; I447-V485 HydrophobicContact CD1-CG2 3.87Å
448	K	93.8	Very high	93.3	Very high	58 Å²	58	48 Å²	48	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.7	-179.6	-72.3	156.4	-174	157.5	0	111.4	Q408 I409 I438 S439 E446 A450	Q408-K448 CarbonylContact O-C 3.6Å; Q408-K448 WeakPolarHBondContact O-CA 3.5Å; I409-K448 HydrophobicContact CB-CG 4.41Å; I409-K448 HydrophobicContact CG1-CD 4.2Å; I409-K448 VanDerWaalsContact CG1-CE 3.45Å; I409-K448 HydrophobicContact CG1-CG 3.69Å; I438-K448 CarbonylContact C-O 3.49Å; I438-K448 WeakPolarHBondContact CA-O 3.33Å; S439-K448 PolarHBondContact N-O 3.29Å; S439-K448 PolarHBondContact O-N 3.07Å; E446-K448 WeakPolarHBondContact OE2-CE 3.4Å; E446-K448 IonicContact OE2-NZ 2.69Å; E446-K448 PolarHBondContact OE2-NZ 2.86Å; K448-A450 PolarHBondContact O-N 2.95Å
449	L	94.8	Very high	93.2	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.058	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	123.6	172.7	-99.1	61.3	0	0	0	111	V397 G407 Q408 I410 K451	V397-L449 HydrophobicContact CG1-CD1 4.48Å; G407-L449 WeakPolarHBondContact CA-O 3.33Å; G407-L449 PolarHBondContact N-O 3.21Å; Q408-L449 PolarHBondContact O-N 3.36Å; I410-L449 HydrophobicContact CB-CD1 4.35Å; I410-L449 HydrophobicContact CD1-CD1 3.72Å; I410-L449 HydrophobicContact CG1-CD1 3.95Å; I410-L449 HydrophobicContact CG2-CD1 3.5Å; L449-K451 WeakPolarHBondContact CB-O 3.44Å; L449-K451 WeakPolarHBondContact CG-O 3.32Å
450	A	93.3	Very high	93.3	Very high	30 Å²	30	48.5 Å²	48.5	25%	0.248	25%	0.245	C	C	.	.	S	Bend	trans	-96.4	-27.8	172.2	0	0	0	0	0	112.1	K406 W437 K448	K406-A450 WeakPolarHBondContact CE-O 3.34Å; K406-A450 PolarHBondContact NZ-O 2.68Å; W437-A450 PolarHBondContact O-N 2.95Å; K448-A450 PolarHBondContact O-N 2.95Å
451	K	92.7	Very high	93.1	Very high	76 Å²	76	53.9 Å²	53.9	33%	0.33	27%	0.269	S	S	.	.	S	Bend	trans	-117.5	173.1	166.4	-71.1	177.2	159.7	-179.9	0	109.5	D435 W437 L449	D435-K451 WeakPolarHBondContact O-CD 3.29Å; D435-K451 VanDerWaalsContact O-CE 3.29Å; D435-K451 WeakPolarHBondContact O-CE 3.31Å; D435-K451 PolarHBondContact O-NZ 3.25Å; D435-K451 IonicContact OD1-NZ 3.12Å; D435-K451 PolarHBondContact OD1-NZ 2.77Å; D435-K451 WeakPolarHBondContact OD2-CD 3.44Å; D435-K451 IonicContact OD2-NZ 2.65Å; D435-K451 PolarHBondContact OD2-NZ 2.73Å; W437-K451 PolarHBondContact O-N 2.82Å; L449-K451 WeakPolarHBondContact CB-O 3.44Å; L449-K451 WeakPolarHBondContact CG-O 3.32Å
452	L	91.9	Very high	92.9	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.325	30%	0.298	S	S	.	.			trans	-74.6	148.3	153.5	-62.8	172.8	0	0	0	107.1	M401	M401-L452 HydrophobicContact CE-CD1 4.36Å; M401-L452 HydrophobicContact CG-CD1 3.88Å; M401-L452 HydrophobicContact SD-CD1 4.16Å
453	P	93.5	Very high	92.8	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.032	29%	0.285	C	S	.	.			trans	-70.7	163	166	34.8	-32.5	0	0	0	109	V397 S398 E399 W437 V489	V397-P453 HydrophobicContact CB-CG 4.27Å; V397-P453 HydrophobicContact CG2-CB 3.98Å; V397-P453 HydrophobicContact CG2-CG 3.78Å; S398-P453 WeakPolarHBondContact O-CG 3.11Å; E399-P453 WeakPolarHBondContact CB-O 3.37Å; W437-P453 HydrophobicContact CE3-CB 4Å; W437-P453 HydrophobicContact CH2-CB 3.79Å; W437-P453 HydrophobicContact CZ2-CB 4.48Å; W437-P453 HydrophobicContact CZ3-CB 3.51Å; P453-V489 HydrophobicContact CB-CG1 4.19Å; P453-V489 HydrophobicContact CB-CG2 4.08Å
454	D	93.7	Very high	93	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.342	26%	0.259	S	S	.	.			trans	-149.6	123.6	175.7	104.8	63.3	0	0	0	106.1	W437 S457 V460	W437-D454 WeakPolarHBondContact CH2-O 3.3Å; W437-D454 WeakPolarHBondContact CZ2-O 3.35Å; D454-S457 VanDerWaalsContact CG-CB 3.4Å; D454-S457 VanDerWaalsContact O-CB 3.29Å; D454-S457 WeakPolarHBondContact O-CB 3.03Å; D454-S457 WeakPolarHBondContact OD1-CA 3.27Å; D454-S457 VanDerWaalsContact OD1-CB 3.25Å; D454-S457 WeakPolarHBondContact OD1-CB 3.13Å; D454-S457 PolarHBondContact OD1-N 2.91Å; D454-S457 WeakPolarHBondContact OD2-CB 3.24Å; D454-S457 PolarHBondContact OD2-OG 2.8Å; D454-V460 WeakPolarHBondContact O-CG2 3.4Å
455	F	93.8	Very high	93.3	Very high	44 Å²	44	50.7 Å²	50.7	19%	0.193	25%	0.245	C	C	.	.	S	Bend	trans	-74.3	-34.9	-169.2	-177.5	-81.6	0	0	0	112.1	E399 S457 V460 V489 D491	E399-F455 VanDerWaalsContact OE2-CB 3.3Å; E399-F455 WeakPolarHBondContact OE2-CB 3.45Å; E399-F455 PolarHBondContact OE2-N 3.22Å; E399-F455 VanDerWaalsContact OE2-N 3.07Å; F455-S457 PolarHBondContact O-N 3.09Å; F455-V460 WeakPolarHBondContact O-CB 3.16Å; F455-V489 HydrophobicContact CB-CB 4.48Å; F455-V489 HydrophobicContact CB-CG1 3.99Å; F455-V489 HydrophobicContact CD2-CB 3.98Å; F455-V489 HydrophobicContact CD2-CG1 4.22Å; F455-V489 WeakPolarHBondContact CD2-O 3.12Å; F455-D491 HydrophobicContact CD1-CB 4.29Å; F455-D491 HydrophobicContact CD2-CB 3.72Å; F455-D491 HydrophobicContact CE1-CB 4.28Å; F455-D491 HydrophobicContact CE2-CB 3.71Å; F455-D491 HydrophobicContact CG-CB 4.02Å; F455-D491 HydrophobicContact CZ-CB 4.01Å
456	E	94.4	Very high	93.4	Very high	43 Å²	43	54.3 Å²	54.3	20%	0.201	27%	0.268	C	S	.	.	S	Bend	trans	-74.5	-12.6	-178.2	-65.4	61.8	-122	0	0	111.9	R458 L520	E456-R458 PolarHBondContact O-N 3.22Å; E456-R458 VanDerWaalsContact O-N 3.11Å; E456-L520 HydrophobicContact CB-CB 4.18Å; E456-L520 HydrophobicContact CG-CB 3.65Å
457	S	94.6	Very high	93.5	Very high	18 Å²	18	52.7 Å²	52.7	13%	0.126	26%	0.26	C	S	.	.	S	Bend	trans	-52.3	117.8	173.7	-134	0	0	0	0	110.4	D454 F455 Y459 V460	D454-S457 VanDerWaalsContact CG-CB 3.4Å; D454-S457 VanDerWaalsContact O-CB 3.29Å; D454-S457 WeakPolarHBondContact O-CB 3.03Å; D454-S457 WeakPolarHBondContact OD1-CA 3.27Å; D454-S457 VanDerWaalsContact OD1-CB 3.25Å; D454-S457 WeakPolarHBondContact OD1-CB 3.13Å; D454-S457 PolarHBondContact OD1-N 2.91Å; D454-S457 WeakPolarHBondContact OD2-CB 3.24Å; D454-S457 PolarHBondContact OD2-OG 2.8Å; F455-S457 PolarHBondContact O-N 3.09Å; S457-Y459 PolarHBondContact O-N 2.71Å; S457-V460 WeakPolarHBondContact O-CB 3.48Å; S457-V460 PolarHBondContact O-N 3.25Å
458	R	93	Very high	93.5	Very high	200 Å²	200	55.9 Å²	55.9	76%	0.755	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-2.2	175.1	66.5	175.7	178.7	-173.5	-5	118.1	E456	E456-R458 PolarHBondContact O-N 3.22Å; E456-R458 VanDerWaalsContact O-N 3.11Å
459	Y	93.9	Very high	93.5	Very high	63 Å²	63	53.1 Å²	53.1	25%	0.247	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-16	175.4	-57.5	-60.6	0	0	0	113.3	R434 D435 S457 Y465	R434-Y459 HydrophobicContact CB-CD1 4Å; R434-Y459 HydrophobicContact CB-CE1 4.02Å; R434-Y459 HydrophobicContact CB-CG 4.3Å; D435-Y459 HydrophobicContact CB-CD2 3.69Å; D435-Y459 HydrophobicContact CB-CE2 3.74Å; S457-Y459 PolarHBondContact O-N 2.71Å; Y459-Y465 HydrophobicContact CG-CE2 4.48Å
460	V	94.1	Very high	93.6	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.097	26%	0.264	C	S	.	.			trans	-70.6	138.5	162.6	-178.7	0	0	0	0	107.8	W437 D454 F455 S457 Y465	W437-V460 HydrophobicContact CH2-CG2 3.53Å; W437-V460 HydrophobicContact CZ2-CG2 4.14Å; W437-V460 HydrophobicContact CZ3-CG2 4.35Å; D454-V460 WeakPolarHBondContact O-CG2 3.4Å; F455-V460 WeakPolarHBondContact O-CB 3.16Å; S457-V460 WeakPolarHBondContact O-CB 3.48Å; S457-V460 PolarHBondContact O-N 3.25Å; V460-Y465 HydrophobicContact CG2-CD2 4.47Å
461	Q	91.4	Very high	93.6	Very high	140 Å²	140	52 Å²	52	65%	0.654	25%	0.252	S	S	*	.	B	Isolated β-bridge	trans	-135.9	124.2	174.6	-63.5	-174.2	-21.4	0	0	107.8	G463 T464	Q461-G463 VanDerWaalsContact C-N 3.31Å; Q461-G463 PolarHBondContact O-N 2.71Å; Q461-T464 PolarHBondContact N-O 3.07Å; Q461-T464 WeakPolarHBondContact O-CA 3.42Å; Q461-T464 WeakPolarHBondContact O-CB 3.36Å; Q461-T464 PolarHBondContact O-N 3.08Å
462	N	89.7	Confident	93.7	Very high	165 Å²	165	50.6 Å²	50.6	88%	0.882	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	50.5	-173.7	-55.6	-14.9	0	0	0	112.1	T464	N462-T464 PolarHBondContact O-N 3.34Å; N462-T464 VanDerWaalsContact O-N 3.11Å; N462-T464 PolarHBondContact O-OG1 3.2Å; N462-T464 VanDerWaalsContact O-OG1 3.14Å
463	G	90.1	Very high	93.7	Very high	10 Å²	10	48.2 Å²	48.2	10%	0.103	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	13.1	-176.5	0	0	0	0	0	115.6	Q461 Y488 V489	Q461-G463 VanDerWaalsContact C-N 3.31Å; Q461-G463 PolarHBondContact O-N 2.71Å; G463-Y488 WeakPolarHBondContact O-CA 3.43Å; G463-V489 PolarHBondContact O-N 2.47Å
464	T	94.8	Very high	93.3	Very high	19 Å²	19	53 Å²	53	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.1	-176	-44.4	0	0	0	0	111.5	Q461 N462 T466 L486 I487 Y488	Q461-T464 PolarHBondContact N-O 3.07Å; Q461-T464 WeakPolarHBondContact O-CA 3.42Å; Q461-T464 WeakPolarHBondContact O-CB 3.36Å; Q461-T464 PolarHBondContact O-N 3.08Å; N462-T464 PolarHBondContact O-N 3.34Å; N462-T464 VanDerWaalsContact O-N 3.11Å; N462-T464 PolarHBondContact O-OG1 3.2Å; N462-T464 VanDerWaalsContact O-OG1 3.14Å; T464-T466 HydrophobicContact CG2-CG2 4.33Å; T464-L486 HydrophobicContact CG2-CB 3.97Å; T464-L486 HydrophobicContact CG2-CD2 4.25Å; T464-I487 WeakPolarHBondContact CA-O 3.26Å; T464-Y488 HydrophobicContact CG2-CD1 4.14Å; T464-Y488 HydrophobicContact CG2-CE1 3.95Å; T464-Y488 WeakPolarHBondContact OG1-CD1 3.49Å; T464-Y488 WeakPolarHBondContact OG1-CE1 3.19Å
465	Y	95.6	Very high	92.6	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137	166.4	-174.2	-96.1	0	0	0	109.9	D433 R434 D435 W437 Y459 V460 V467 I487	D433-Y465 WeakPolarHBondContact OD1-CE1 3.34Å; D433-Y465 PolarHBondContact OD1-OH 3.23Å; R434-Y465 PolarHBondContact N-OH 2.93Å; D435-Y465 HydrophobicContact CB-CE2 4.43Å; D435-Y465 PolarHBondContact N-OH 2.72Å; W437-Y465 HydrophobicContact CB-CD1 4.3Å; W437-Y465 HydrophobicContact CB-CE1 3.71Å; W437-Y465 AromaticContact CD2-CD1 3.88Å; W437-Y465 HydrophobicContact CD2-CD1 3.88Å; W437-Y465 AromaticContact CD2-CD2 3.97Å; W437-Y465 HydrophobicContact CD2-CD2 3.97Å; W437-Y465 AromaticContact CD2-CE1 3.89Å; W437-Y465 HydrophobicContact CD2-CE1 3.89Å; W437-Y465 AromaticContact CD2-CE2 4Å; W437-Y465 HydrophobicContact CD2-CE2 4Å; W437-Y465 AromaticContact CD2-CG 3.92Å; W437-Y465 HydrophobicContact CD2-CG 3.92Å; W437-Y465 AromaticContact CD2-CZ 3.95Å; W437-Y465 AromaticContact CE3-CD1 3.52Å; W437-Y465 HydrophobicContact CE3-CD1 3.52Å; W437-Y465 AromaticContact CE3-CD2 3.96Å; W437-Y465 HydrophobicContact CE3-CD2 3.96Å; W437-Y465 HydrophobicContact CE3-CE1 4.01Å; W437-Y465 HydrophobicContact CE3-CE2 4.41Å; W437-Y465 AromaticContact CE3-CG 3.48Å; W437-Y465 HydrophobicContact CE3-CG 3.48Å; W437-Y465 VanDerWaalsContact CE3-CG 3.48Å; W437-Y465 HydrophobicContact CG-CD1 4.23Å; W437-Y465 AromaticContact CG-CE1 3.76Å; W437-Y465 HydrophobicContact CG-CE1 3.76Å; W437-Y465 HydrophobicContact CG-CE2 4.23Å; W437-Y465 AromaticContact CG-CZ 3.77Å; W437-Y465 HydrophobicContact CH2-CD2 4.14Å; W437-Y465 HydrophobicContact CH2-CG 4.19Å; W437-Y465 HydrophobicContact CZ2-CD2 4.16Å; W437-Y465 VanDerWaalsContact CZ3-CB 3.44Å; W437-Y465 HydrophobicContact CZ3-CD1 4.13Å; W437-Y465 HydrophobicContact CZ3-CD2 4.04Å; W437-Y465 AromaticContact CZ3-CG 3.63Å; W437-Y465 HydrophobicContact CZ3-CG 3.63Å; Y459-Y465 HydrophobicContact CG-CE2 4.48Å; V460-Y465 HydrophobicContact CG2-CD2 4.47Å; Y465-V467 HydrophobicContact CD1-CG2 3.74Å; Y465-V467 HydrophobicContact CE1-CG2 3.38Å; Y465-I487 HydrophobicContact CD1-CD1 4.28Å; Y465-I487 PolarHBondContact N-O 3.22Å; Y465-I487 PolarHBondContact O-N 2.82Å
466	T	94.8	Very high	91.9	Very high	77 Å²	77	64.2 Å²	64.2	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.7	-172.7	64.7	0	0	0	0	112.3	T464 L486	T464-T466 HydrophobicContact CG2-CG2 4.33Å; T466-L486 HydrophobicContact CG2-CD2 3.7Å
467	V	94.6	Very high	91.5	Very high	2 Å²	2	67 Å²	67	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.9	178.3	-174.3	0	0	0	0	110.1	K430 D433 I438 Y465 V485 I487	K430-V467 HydrophobicContact CG-CG1 4.08Å; D433-V467 HydrophobicContact CB-CG1 3.73Å; D433-V467 HydrophobicContact CB-CG2 4.18Å; I438-V467 HydrophobicContact CD1-CB 4.08Å; I438-V467 HydrophobicContact CD1-CG1 3.62Å; I438-V467 HydrophobicContact CD1-CG2 4.26Å; I438-V467 HydrophobicContact CG1-CG1 4.13Å; I438-V467 HydrophobicContact CG1-CG2 4.46Å; Y465-V467 HydrophobicContact CD1-CG2 3.74Å; Y465-V467 HydrophobicContact CE1-CG2 3.38Å; V467-V485 PolarHBondContact N-O 3.45Å; V467-V485 PolarHBondContact O-N 2.78Å; V467-I487 HydrophobicContact CG2-CD1 4.42Å
468	K	95.1	Very high	91.2	Very high	68 Å²	68	74.9 Å²	74.9	30%	0.296	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.3	172.2	-68.3	179.7	-168.5	156.1	0	111.4	L431 E432 T482 G483	L431-K468 HydrophobicContact CB-CB 4.05Å; L431-K468 HydrophobicContact CD2-CB 4.46Å; L431-K468 PolarHBondContact N-O 3.47Å; L431-K468 PolarHBondContact O-N 2.85Å; E432-K468 WeakPolarHBondContact OE1-CD 3.44Å; E432-K468 IonicContact OE1-NZ 2.64Å; E432-K468 PolarHBondContact OE1-NZ 3.03Å; E432-K468 WeakPolarHBondContact OE2-CE 3.5Å; E432-K468 IonicContact OE2-NZ 3.59Å; E432-K468 PolarHBondContact OE2-NZ 2.99Å; K468-T482 HydrophobicContact CB-CG2 4.2Å; K468-T482 HydrophobicContact CD-CG2 4.26Å; K468-T482 HydrophobicContact CG-CG2 4.48Å; K468-G483 CarbonylContact C-O 3.53Å; K468-G483 WeakPolarHBondContact CA-O 3.35Å
469	I	94.7	Very high	91.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.5	174.8	-67	-178.9	0	0	0	108.1	F413 I438 L440 I447 T482 G483 V485	F413-I469 HydrophobicContact CB-CD1 3.86Å; F413-I469 HydrophobicContact CB-CG2 4.18Å; F413-I469 HydrophobicContact CD1-CB 4.48Å; F413-I469 HydrophobicContact CD1-CG2 4.29Å; F413-I469 HydrophobicContact CD2-CD1 4.09Å; F413-I469 HydrophobicContact CG-CB 4.31Å; F413-I469 HydrophobicContact CG-CD1 4.07Å; F413-I469 HydrophobicContact CG-CG2 4.24Å; I438-I469 HydrophobicContact CD1-CD1 4.44Å; L440-I469 HydrophobicContact CD1-CD1 4.09Å; L440-I469 HydrophobicContact CD2-CB 4.44Å; L440-I469 HydrophobicContact CD2-CD1 4.12Å; L440-I469 HydrophobicContact CD2-CG1 4.06Å; L440-I469 HydrophobicContact CD2-CG2 3.72Å; I447-I469 HydrophobicContact CD1-CD1 3.77Å; I447-I469 HydrophobicContact CG1-CD1 3.85Å; I469-T482 WeakPolarHBondContact O-CA 3.33Å; I469-G483 PolarHBondContact N-O 2.79Å; I469-G483 PolarHBondContact O-N 2.72Å; I469-V485 HydrophobicContact CD1-CG2 3.56Å; I469-V485 HydrophobicContact CG1-CG2 4.1Å
470	V	95	Very high	91.1	Very high	17 Å²	17	69.5 Å²	69.5	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.4	177.5	-179.4	0	0	0	0	108.8	Y428 V429 L431 I472 T480 I481 T482	Y428-V470 CarbonylContact C-O 3.56Å; Y428-V470 WeakPolarHBondContact CA-O 3.2Å; V429-V470 PolarHBondContact N-O 3.31Å; V429-V470 PolarHBondContact O-N 3.08Å; L431-V470 HydrophobicContact CB-CG2 4.16Å; L431-V470 HydrophobicContact CD2-CG2 3.9Å; V470-I472 HydrophobicContact CG1-CG1 4.09Å; V470-T480 HydrophobicContact CG1-CG2 3.44Å; V470-T480 VanDerWaalsContact CG1-CG2 3.44Å; V470-I481 CarbonylContact C-O 3.5Å; V470-I481 VanDerWaalsContact CA-O 3.31Å; V470-I481 WeakPolarHBondContact CA-O 3.46Å; V470-T482 HydrophobicContact CG2-CG2 4.21Å
471	A	94.6	Very high	91.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.1	168.3	0	0	0	0	0	110.2	F388 A415 A426 Y428 T480 I481	F388-A471 HydrophobicContact CE1-CB 3.98Å; F388-A471 HydrophobicContact CZ-CB 3.58Å; A415-A471 HydrophobicContact CB-CB 4.22Å; A426-A471 HydrophobicContact CB-CB 3.98Å; Y428-A471 HydrophobicContact CD1-CB 3.67Å; Y428-A471 HydrophobicContact CE1-CB 3.64Å; A471-T480 WeakPolarHBondContact O-CA 3.29Å; A471-I481 HydrophobicContact CB-CD1 4.2Å; A471-I481 HydrophobicContact CB-CG1 3.87Å; A471-I481 PolarHBondContact N-O 2.92Å; A471-I481 WeakPolarHBondContact O-CG1 3.36Å; A471-I481 PolarHBondContact O-N 3.46Å
472	I	93.6	Very high	91.2	Very high	47 Å²	47	66.5 Å²	66.5	24%	0.241	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.1	-175.8	-52.6	172.8	0	0	0	108.4	A426 R427 V429 V470 R478 T480	A426-I472 CarbonylContact C-O 3.55Å; A426-I472 VanDerWaalsContact CA-O 3.25Å; A426-I472 WeakPolarHBondContact CA-O 3.46Å; R427-I472 PolarHBondContact N-O 2.89Å; R427-I472 PolarHBondContact O-N 2.85Å; V429-I472 HydrophobicContact CG2-CD1 4.43Å; V470-I472 HydrophobicContact CG1-CG1 4.09Å; I472-R478 HydrophobicContact CG2-CB 4.26Å; I472-T480 HydrophobicContact CG1-CG2 4.16Å
473	S	92.9	Very high	91.5	Very high	12 Å²	12	58.7 Å²	58.7	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	146.6	177.8	66.1	0	0	0	0	112.2	D475 R478 K479	S473-D475 PolarHBondContact OG-O 3.05Å; S473-R478 WeakPolarHBondContact OG-CA 3.38Å; S473-K479 PolarHBondContact N-O 2.89Å; S473-K479 PolarHBondContact OG-N 2.81Å
474	E	84.4	Confident	91.7	Very high	106 Å²	106	60.1 Å²	60.1	50%	0.495	30%	0.3	S	S	.	.	S	Bend	trans	-72	-36.5	173	-66.9	-171.8	134.6	0	0	111.8	R425	R425-E474 IonicContact CZ-OE2 2.95Å; R425-E474 IonicContact NE-OE2 3.73Å; R425-E474 PolarHBondContact NE-OE2 2.99Å; R425-E474 IonicContact NH2-OE1 2.66Å; R425-E474 IonicContact NH2-OE2 3.62Å; R425-E474 PolarHBondContact NH2-OE2 3.28Å; R425-E474 PolarHBondContact O-N 3.18Å
475	D	80.4	Confident	91.7	Very high	123 Å²	123	59.2 Å²	59.2	66%	0.658	30%	0.295	S	S	*	.	S	Bend	trans	-74.3	164.8	-178.3	-67.7	-46.6	0	0	0	114.2	S473 P477	S473-D475 PolarHBondContact OG-O 3.05Å; D475-P477 CarbonylContact O-C 3.58Å
476	Y	78.6	Confident	91.7	Very high	220 Å²	220	61 Å²	61	86%	0.863	30%	0.304	S	S	*	.	S	Bend	trans	-102.8	136.4	177.7	-176.9	-87.5	0	0	0	111.7
477	P	85.3	Confident	91.7	Very high	101 Å²	101	57.5 Å²	57.5	66%	0.656	28%	0.282	S	S	*	.	S	Bend	cis	-69	150.3	-5.2	31	-36.1	0	0	0	111.7	D475 K479	D475-P477 CarbonylContact O-C 3.58Å; P477-K479 PolarHBondContact O-N 2.93Å
478	R	87.6	Confident	91.7	Very high	184 Å²	184	61 Å²	61	69%	0.694	30%	0.296	S	S	*	.			trans	-76.3	94.3	-179.5	-71.4	-174.5	177.5	160.3	1	111.2	I472 S473	I472-R478 HydrophobicContact CG2-CB 4.26Å; S473-R478 WeakPolarHBondContact OG-CA 3.38Å
479	K	91.6	Very high	91.6	Very high	68 Å²	68	58.2 Å²	58.2	30%	0.296	29%	0.285	S	S	.	.			trans	-66	134.4	168.4	-171.3	172.3	179.9	-166.6	0	108	E384 I386 E418 S473 P477 I481	E384-K479 WeakPolarHBondContact O-CD 3.34Å; E384-K479 WeakPolarHBondContact O-CE 3.34Å; E384-K479 PolarHBondContact O-NZ 2.93Å; I386-K479 HydrophobicContact CG1-CB 4.14Å; I386-K479 HydrophobicContact CG1-CD 4.34Å; I386-K479 HydrophobicContact CG1-CG 4.2Å; I386-K479 VanDerWaalsContact O-CD 3.23Å; I386-K479 WeakPolarHBondContact O-CD 3.22Å; I386-K479 WeakPolarHBondContact O-CE 3.38Å; I386-K479 PolarHBondContact O-NZ 3.13Å; E418-K479 IonicContact OE2-NZ 3.19Å; E418-K479 PolarHBondContact OE2-NZ 2.86Å; E418-K479 VanDerWaalsContact OE2-NZ 3.08Å; S473-K479 PolarHBondContact N-O 2.89Å; S473-K479 PolarHBondContact OG-N 2.81Å; P477-K479 PolarHBondContact O-N 2.93Å; K479-I481 HydrophobicContact CG-CG2 4.22Å
480	T	93.4	Very high	91.5	Very high	82 Å²	82	62.9 Å²	62.9	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.7	-179.6	-61.5	0	0	0	0	107.2	V470 A471 I472	V470-T480 HydrophobicContact CG1-CG2 3.44Å; V470-T480 VanDerWaalsContact CG1-CG2 3.44Å; A471-T480 WeakPolarHBondContact O-CA 3.29Å; I472-T480 HydrophobicContact CG1-CG2 4.16Å
481	I	94.1	Very high	91.5	Very high	21 Å²	21	63.6 Å²	63.6	11%	0.108	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.4	-178.2	54.5	174.6	0	0	0	109.7	I386 H387 F388 A415 V470 A471 K479	I386-I481 HydrophobicContact CB-CD1 4.32Å; I386-I481 HydrophobicContact CD1-CD1 3.92Å; I386-I481 HydrophobicContact CD1-CG1 3.9Å; I386-I481 HydrophobicContact CG1-CD1 3.93Å; I386-I481 HydrophobicContact CG1-CG1 4.17Å; I386-I481 HydrophobicContact CG1-CG2 4.36Å; I386-I481 WeakPolarHBondContact O-CG2 3.45Å; H387-I481 VanDerWaalsContact C-CD1 3.41Å; H387-I481 WeakPolarHBondContact O-CD1 3.5Å; F388-I481 HydrophobicContact CD1-CD1 3.89Å; F388-I481 HydrophobicContact CD2-CB 4.17Å; F388-I481 HydrophobicContact CD2-CD1 3.72Å; F388-I481 HydrophobicContact CD2-CG1 4.02Å; F388-I481 HydrophobicContact CE1-CD1 3.75Å; F388-I481 HydrophobicContact CE1-CG1 4.33Å; F388-I481 HydrophobicContact CE2-CB 3.89Å; F388-I481 HydrophobicContact CE2-CD1 3.6Å; F388-I481 HydrophobicContact CE2-CG1 3.5Å; F388-I481 HydrophobicContact CG-CD1 3.88Å; F388-I481 HydrophobicContact CZ-CD1 3.62Å; F388-I481 HydrophobicContact CZ-CG1 3.7Å; A415-I481 HydrophobicContact CB-CD1 4.08Å; V470-I481 CarbonylContact C-O 3.5Å; V470-I481 VanDerWaalsContact CA-O 3.31Å; V470-I481 WeakPolarHBondContact CA-O 3.46Å; A471-I481 HydrophobicContact CB-CD1 4.2Å; A471-I481 HydrophobicContact CB-CG1 3.87Å; A471-I481 PolarHBondContact N-O 2.92Å; A471-I481 WeakPolarHBondContact O-CG1 3.36Å; A471-I481 PolarHBondContact O-N 3.46Å; K479-I481 HydrophobicContact CG-CG2 4.22Å
482	T	95.1	Very high	91.3	Very high	72 Å²	72	66 Å²	66	44%	0.442	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.9	179.4	-53.9	0	0	0	0	109.3	K468 I469 V470	K468-T482 HydrophobicContact CB-CG2 4.2Å; K468-T482 HydrophobicContact CD-CG2 4.26Å; K468-T482 HydrophobicContact CG-CG2 4.48Å; I469-T482 WeakPolarHBondContact O-CA 3.33Å; V470-T482 HydrophobicContact CG2-CG2 4.21Å
483	G	94.2	Very high	91.2	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	165.2	171.1	0	0	0	0	0	111.3	S391 K468 I469	S391-G483 CarbonylContact O-C 3.58Å; S391-G483 WeakPolarHBondContact O-CA 3.27Å; K468-G483 CarbonylContact C-O 3.53Å; K468-G483 WeakPolarHBondContact CA-O 3.35Å; I469-G483 PolarHBondContact N-O 2.79Å; I469-G483 PolarHBondContact O-N 2.72Å
484	T	94.9	Very high	91.1	Very high	40 Å²	40	69.8 Å²	69.8	25%	0.245	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135	-175.3	-57.6	0	0	0	0	110.3	S391 V392 I393 L486	S391-T484 PolarHBondContact O-N 3.32Å; V392-T484 CarbonylContact C-O 3.57Å; V392-T484 VanDerWaalsContact CA-O 3.31Å; V392-T484 WeakPolarHBondContact CA-O 3.19Å; I393-T484 PolarHBondContact N-O 3.21Å; T484-L486 HydrophobicContact CG2-CD2 3.89Å; T484-L486 HydrophobicContact CG2-CG 4.47Å
485	V	94.9	Very high	91.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.5	168.9	-172.9	0	0	0	0	108.1	I393 F413 I447 V467 I469 I487	I393-V485 WeakPolarHBondContact O-CA 3.37Å; F413-V485 HydrophobicContact CD2-CG2 3.66Å; F413-V485 HydrophobicContact CE2-CG2 3.88Å; I447-V485 HydrophobicContact CD1-CG1 4.46Å; I447-V485 HydrophobicContact CD1-CG2 3.87Å; V467-V485 PolarHBondContact N-O 3.45Å; V467-V485 PolarHBondContact O-N 2.78Å; I469-V485 HydrophobicContact CD1-CG2 3.56Å; I469-V485 HydrophobicContact CG1-CG2 4.1Å; V485-I487 HydrophobicContact CG1-CD1 4.43Å; V485-I487 HydrophobicContact CG1-CG1 3.79Å
486	L	95	Very high	92	Very high	40 Å²	40	61.9 Å²	61.9	21%	0.209	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	108.2	171	-58.3	-178.8	0	0	0	107.7	V392 I393 S394 T395 T464 T466 T484 Y488	V392-L486 HydrophobicContact CG1-CD1 3.69Å; V392-L486 HydrophobicContact CG1-CG 3.82Å; I393-L486 PolarHBondContact O-N 3.24Å; S394-L486 WeakPolarHBondContact CA-O 3.42Å; T395-L486 PolarHBondContact N-O 2.77Å; T464-L486 HydrophobicContact CG2-CB 3.97Å; T464-L486 HydrophobicContact CG2-CD2 4.25Å; T466-L486 HydrophobicContact CG2-CD2 3.7Å; T484-L486 HydrophobicContact CG2-CD2 3.89Å; T484-L486 HydrophobicContact CG2-CG 4.47Å; L486-Y488 HydrophobicContact CB-CE2 3.94Å
487	I	95	Very high	92.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	98.9	178.7	-54.3	-176.9	0	0	0	107.2	T395 V397 I410 I438 T464 Y465 V467 V485	T395-I487 WeakPolarHBondContact O-CA 3.08Å; V397-I487 HydrophobicContact CG1-CG2 4.37Å; V397-I487 HydrophobicContact CG2-CG2 3.54Å; I410-I487 HydrophobicContact CD1-CD1 4.22Å; I438-I487 HydrophobicContact CG2-CD1 3.57Å; T464-I487 WeakPolarHBondContact CA-O 3.26Å; Y465-I487 HydrophobicContact CD1-CD1 4.28Å; Y465-I487 PolarHBondContact N-O 3.22Å; Y465-I487 PolarHBondContact O-N 2.82Å; V467-I487 HydrophobicContact CG2-CD1 4.42Å; V485-I487 HydrophobicContact CG1-CD1 4.43Å; V485-I487 HydrophobicContact CG1-CG1 3.79Å
488	Y	94.7	Very high	93.1	Very high	75 Å²	75	49.6 Å²	49.6	29%	0.294	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.4	172.6	-67.2	-79.2	0	0	0	109.1	T395 Y396 V397 G463 T464 L486	T395-Y488 PolarHBondContact O-N 3Å; Y396-Y488 WeakPolarHBondContact CA-O 3.33Å; Y396-Y488 VanDerWaalsContact CD1-CB 3.46Å; Y396-Y488 HydrophobicContact CD1-CD2 4.14Å; Y396-Y488 HydrophobicContact CD1-CG 4Å; Y396-Y488 HydrophobicContact CE1-CD1 4.5Å; Y396-Y488 AromaticContact CE1-CD2 3.67Å; Y396-Y488 HydrophobicContact CE1-CD2 3.67Å; Y396-Y488 HydrophobicContact CE1-CE2 4.48Å; Y396-Y488 AromaticContact CE1-CG 3.68Å; Y396-Y488 HydrophobicContact CE1-CG 3.68Å; Y396-Y488 HydrophobicContact CE2-CD2 4.48Å; Y396-Y488 AromaticContact CZ-CD2 3.86Å; V397-Y488 WeakPolarHBondContact CG2-O 3.22Å; V397-Y488 PolarHBondContact N-O 2.85Å; G463-Y488 WeakPolarHBondContact O-CA 3.43Å; T464-Y488 HydrophobicContact CG2-CD1 4.14Å; T464-Y488 HydrophobicContact CG2-CE1 3.95Å; T464-Y488 WeakPolarHBondContact OG1-CD1 3.49Å; T464-Y488 WeakPolarHBondContact OG1-CE1 3.19Å; L486-Y488 HydrophobicContact CB-CE2 3.94Å
489	V	94.5	Very high	93.3	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.3	177.4	-170	0	0	0	0	108.8	V397 E399 W437 P453 F455 G463	V397-V489 HydrophobicContact CG2-CG2 4.11Å; V397-V489 CarbonylContact O-C 3.57Å; V397-V489 WeakPolarHBondContact O-CA 3.42Å; E399-V489 WeakPolarHBondContact OE2-CG1 3.44Å; W437-V489 HydrophobicContact CH2-CG2 3.98Å; W437-V489 HydrophobicContact CZ3-CG2 3.71Å; P453-V489 HydrophobicContact CB-CG1 4.19Å; P453-V489 HydrophobicContact CB-CG2 4.08Å; F455-V489 HydrophobicContact CB-CB 4.48Å; F455-V489 HydrophobicContact CB-CG1 3.99Å; F455-V489 HydrophobicContact CD2-CB 3.98Å; F455-V489 HydrophobicContact CD2-CG1 4.22Å; F455-V489 WeakPolarHBondContact CD2-O 3.12Å; G463-V489 PolarHBondContact O-N 2.47Å
490	E	92.4	Very high	93.3	Very high	99 Å²	99	42.5 Å²	42.5	46%	0.463	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	101.3	172	177.2	-170.4	-168	0	0	109	V397 S398 K403	V397-E490 WeakPolarHBondContact O-CB 3.39Å; V397-E490 PolarHBondContact O-N 2.87Å; S398-E490 WeakPolarHBondContact CB-O 3.48Å; S398-E490 PolarHBondContact OG-O 2.69Å; K403-E490 WeakPolarHBondContact CD-OE2 2.85Å; K403-E490 IonicContact NZ-OE1 3.32Å; K403-E490 PolarHBondContact NZ-OE1 2.98Å; K403-E490 IonicContact NZ-OE2 3.87Å; K403-E490 PolarHBondContact NZ-OE2 2.79Å
491	D	93.4	Very high	93.1	Very high	31 Å²	31	43.6 Å²	43.6	17%	0.166	23%	0.228	C	C	.	.			trans	-45.8	123.2	169.8	177.4	6.8	0	0	0	113.5	E399 F455 G522 N525	E399-D491 WeakPolarHBondContact OE1-CA 3.41Å; F455-D491 HydrophobicContact CD1-CB 4.29Å; F455-D491 HydrophobicContact CD2-CB 3.72Å; F455-D491 HydrophobicContact CE1-CB 4.28Å; F455-D491 HydrophobicContact CE2-CB 3.71Å; F455-D491 HydrophobicContact CG-CB 4.02Å; F455-D491 HydrophobicContact CZ-CB 4.01Å; D491-G522 PolarHBondContact OD1-N 3.12Å; D491-G522 WeakPolarHBondContact OD2-CA 3.41Å; D491-G522 PolarHBondContact OD2-N 3.31Å; D491-N525 VanDerWaalsContact CG-ND2 3.27Å; D491-N525 PolarHBondContact O-ND2 2.64Å; D491-N525 PolarHBondContact OD1-ND2 3.48Å
492	I	92	Very high	93	Very high	51 Å²	51	45.5 Å²	45.5	26%	0.262	24%	0.242	S	C	.	.			trans	-125.2	140.7	179.5	-57.7	-65.8	0	0	0	108.8	S398 E399 D494 N525	S398-I492 VanDerWaalsContact OG-CG1 3.29Å; S398-I492 WeakPolarHBondContact OG-CG1 3.35Å; E399-I492 HydrophobicContact CG-CB 4.44Å; E399-I492 WeakPolarHBondContact OE1-CB 3.48Å; E399-I492 WeakPolarHBondContact OE1-CG1 3.07Å; E399-I492 PolarHBondContact OE1-N 2.98Å; I492-D494 WeakPolarHBondContact O-CB 3.45Å; I492-D494 PolarHBondContact O-N 3.05Å; I492-N525 VanDerWaalsContact C-ND2 3.25Å; I492-N525 WeakPolarHBondContact CA-ND2 3.41Å; I492-N525 PolarHBondContact N-ND2 2.87Å
493	N	90.8	Very high	92.8	Very high	35 Å²	35	46.7 Å²	46.7	19%	0.187	25%	0.248	C	C	.	.	S	Bend	trans	-60.9	98.7	173.8	-160.7	-68.1	0	0	0	110.1	D521 N525 D574 F578	N493-D521 VanDerWaalsContact CA-OD2 3.27Å; N493-D521 WeakPolarHBondContact CA-OD2 3.38Å; N493-N525 HydrophobicContact CB-CB 4.18Å; N493-N525 PolarHBondContact N-ND2 2.69Å; N493-N525 PolarHBondContact ND2-O 2.93Å; N493-D574 PolarHBondContact ND2-OD2 3.18Å; N493-F578 WeakPolarHBondContact OD1-CB 3.29Å; N493-F578 WeakPolarHBondContact OD1-CD1 3.44Å; N493-F578 WeakPolarHBondContact OD1-CG 3.36Å
494	D	90.4	Very high	92.5	Very high	103 Å²	103	47.6 Å²	47.6	55%	0.551	25%	0.253	S	S	*	.			trans	-131.9	-42.1	-165.6	178.8	-85.9	0	0	0	110.6	I492 D521	I492-D494 WeakPolarHBondContact O-CB 3.45Å; I492-D494 PolarHBondContact O-N 3.05Å; D494-D521 PolarHBondContact N-OD2 2.83Å
495	N	91.3	Very high	92.1	Very high	45 Å²	45	49.7 Å²	49.7	24%	0.241	27%	0.265	C	S	.	.	S	Bend	trans	-85.6	-178.7	168.4	-60.1	-93.1	0	0	0	110.8	D519 L520 D521 F578	N495-D519 VanDerWaalsContact C-OD1 3.32Å; N495-D519 WeakPolarHBondContact CB-OD1 3.39Å; N495-L520 HydrophobicContact CB-CB 4.34Å; N495-D521 WeakPolarHBondContact CB-OD1 3.45Å; N495-D521 PolarHBondContact N-OD1 3.1Å; N495-D521 VanDerWaalsContact N-OD1 3.11Å; N495-D521 PolarHBondContact N-OD2 3.36Å; N495-D521 PolarHBondContact ND2-OD1 3.1Å; N495-F578 WeakPolarHBondContact O-CD1 3.22Å; N495-F578 WeakPolarHBondContact O-CE1 3.31Å
496	C	91.9	Very high	91.7	Very high	19 Å²	19	51.1 Å²	51.1	13%	0.128	27%	0.273	C	S	.	.			trans	-153.5	158.8	-177.9	64.9	0	0	0	0	110.2	T498 D519 F578 C580	C496-T498 WeakPolarHBondContact O-CG2 3.32Å; C496-T498 PolarHBondContact O-N 3.34Å; C496-D519 VanDerWaalsContact C-OD2 3.25Å; C496-D519 WeakPolarHBondContact CA-OD1 3.25Å; C496-D519 WeakPolarHBondContact CA-OD2 3.35Å; C496-D519 PolarHBondContact N-OD1 2.83Å; C496-F578 HydrophobicContact CB-CD1 3.98Å; C496-F578 HydrophobicContact CB-CE1 3.89Å; C496-C580 HydrophobicContact CB-CB 4.09Å; C496-C580 WeakPolarHBondContact CB-SG 3.22Å; C496-C580 WeakPolarHBondContact SG-CA 3.5Å; C496-C580 WeakPolarHBondContact SG-CB 3.36Å; C496-C580 CovalentContact SG-SG 2.04Å; C496-C580 PolarHBondContact SG-SG 2.89Å
497	P	94.1	Very high	91.2	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.			trans	-68.4	107.9	-176	-22	35	0	0	0	112	A517 D519 F529 I572 D574 C580	P497-A517 HydrophobicContact CB-CB 4.15Å; P497-D519 HydrophobicContact CB-CB 4.32Å; P497-D519 WeakPolarHBondContact CD-OD2 3.23Å; P497-D519 HydrophobicContact CG-CB 4.09Å; P497-D519 WeakPolarHBondContact CG-OD2 3.45Å; P497-F529 HydrophobicContact CB-CD1 4.16Å; P497-F529 HydrophobicContact CB-CD2 4.12Å; P497-F529 HydrophobicContact CB-CE1 4.26Å; P497-F529 HydrophobicContact CB-CE2 4.25Å; P497-F529 HydrophobicContact CB-CG 4.1Å; P497-F529 HydrophobicContact CB-CZ 4.33Å; P497-F529 HydrophobicContact CG-CD1 3.66Å; P497-F529 HydrophobicContact CG-CD2 4.49Å; P497-F529 HydrophobicContact CG-CE1 3.83Å; P497-F529 HydrophobicContact CG-CG 4.03Å; P497-F529 HydrophobicContact CG-CZ 4.37Å; P497-I572 HydrophobicContact CB-CB 4.14Å; P497-I572 HydrophobicContact CB-CG2 3.63Å; P497-I572 HydrophobicContact CG-CG2 4.29Å; P497-D574 HydrophobicContact CG-CB 4.11Å; P497-C580 PolarHBondContact O-SG 3.39Å
498	T	93.2	Very high	90.6	Very high	63 Å²	63	53.9 Å²	53.9	39%	0.387	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.8	178.8	62.1	0	0	0	0	111.4	C496 I500 A517 E518	C496-T498 WeakPolarHBondContact O-CG2 3.32Å; C496-T498 PolarHBondContact O-N 3.34Å; T498-I500 PolarHBondContact O-N 3.49Å; T498-A517 CarbonylContact O-C 3.58Å; T498-A517 WeakPolarHBondContact O-CA 3.06Å; T498-A517 WeakPolarHBondContact O-CB 3.39Å; T498-E518 PolarHBondContact N-O 3.06Å; T498-E518 PolarHBondContact O-N 2.89Å; T498-E518 PolarHBondContact OG1-O 3.23Å
499	L	92.5	Very high	90	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.7	174.6	-68.9	175.1	0	0	0	110.6	E501 P502 V515 I572 Q584 L586	L499-E501 VanDerWaalsContact C-N 3.34Å; L499-P502 HydrophobicContact CB-CB 4.39Å; L499-V515 HydrophobicContact CD2-CG1 3.48Å; L499-V515 VanDerWaalsContact CD2-CG1 3.48Å; L499-I572 HydrophobicContact CD2-CD1 3.7Å; L499-I572 HydrophobicContact CG-CD1 4.04Å; L499-Q584 HydrophobicContact CD1-CB 4.12Å; L499-Q584 HydrophobicContact CG-CB 4.28Å; L499-L586 HydrophobicContact CD1-CB 4.15Å
500	I	91.8	Very high	89.4	Confident	90 Å²	90	56.8 Å²	56.8	46%	0.462	32%	0.316	S	S	.	.	S	Bend	trans	-63.4	-43.7	176.6	-50.9	-178.5	0	0	0	110.1	T498 P502 T516 E518	T498-I500 PolarHBondContact O-N 3.49Å; I500-P502 WeakPolarHBondContact O-CD 3.34Å; I500-T516 PolarHBondContact N-O 3.21Å; I500-E518 HydrophobicContact CD1-CB 3.87Å; I500-E518 HydrophobicContact CG1-CB 3.69Å
501	E	89.6	Confident	88.8	Confident	105 Å²	105	58 Å²	58	49%	0.491	32%	0.321	S	S	.	.			trans	-118.1	83	177.4	-64.8	-167.4	146.1	0	0	111.5	L499 V503 Q504 L586	L499-E501 VanDerWaalsContact C-N 3.34Å; E501-V503 PolarHBondContact O-N 3.03Å; E501-Q504 HydrophobicContact CB-CG 3.79Å; E501-Q504 WeakPolarHBondContact OE2-CG 3.19Å; E501-Q504 PolarHBondContact OE2-NE2 2.86Å; E501-L586 VanDerWaalsContact O-CD1 3.31Å; E501-L586 WeakPolarHBondContact O-CD1 3.45Å
502	P	90.7	Very high	88.6	Confident	61 Å²	61	61 Å²	61	40%	0.396	33%	0.331	S	S	.	.	S	Bend	trans	-71.8	-5.6	177.9	30.1	-35.4	0	0	0	113.4	L499 I500 T587	L499-P502 HydrophobicContact CB-CB 4.39Å; I500-P502 WeakPolarHBondContact O-CD 3.34Å; P502-T587 PolarHBondContact O-N 3.33Å
503	V	90.9	Very high	88.5	Confident	97 Å²	97	59 Å²	59	59%	0.588	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	107	175.1	-173.4	0	0	0	0	109.5	E501 T587	E501-V503 PolarHBondContact O-N 3.03Å; V503-T587 WeakPolarHBondContact CA-O 3.46Å; V503-T587 HydrophobicContact CG1-CG2 4.28Å
504	Q	88.9	Confident	88.5	Confident	21 Å²	21	60.8 Å²	60.8	10%	0.098	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.5	179.5	-74.5	-177.3	-28.4	0	0	111.4	E501 N514 L586 T587 L588 T589	E501-Q504 HydrophobicContact CB-CG 3.79Å; E501-Q504 WeakPolarHBondContact OE2-CG 3.19Å; E501-Q504 PolarHBondContact OE2-NE2 2.86Å; Q504-N514 PolarHBondContact NE2-O 2.85Å; Q504-N514 VanDerWaalsContact NE2-O 3.12Å; Q504-N514 PolarHBondContact OE1-O 3.12Å; Q504-L586 HydrophobicContact CB-CD1 4.32Å; Q504-L586 HydrophobicContact CG-CD1 4.22Å; Q504-T587 PolarHBondContact N-O 2.83Å; Q504-L588 HydrophobicContact CB-CD1 3.89Å; Q504-L588 WeakPolarHBondContact O-CA 3.28Å; Q504-T589 PolarHBondContact O-N 2.92Å
505	T	86.5	Confident	88.6	Confident	83 Å²	83	56 Å²	56	51%	0.509	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.3	177.4	-56.7	0	0	0	0	109.4	T589 C599	T505-T589 CarbonylContact C-O 3.56Å; T505-T589 WeakPolarHBondContact CA-O 3.47Å; T505-T589 HydrophobicContact CG2-CG2 4.28Å; T505-T589 WeakPolarHBondContact CG2-O 3.39Å; T505-C599 WeakPolarHBondContact CG2-SG 3.4Å
506	I	86.9	Confident	88.7	Confident	31 Å²	31	56 Å²	56	16%	0.159	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.1	-174.2	64.9	173.6	0	0	0	112	A510 V513 L588 T589 V590 C591	I506-A510 HydrophobicContact CB-CB 4.46Å; I506-V513 HydrophobicContact CD1-CB 4.23Å; I506-V513 HydrophobicContact CG2-CB 4.43Å; I506-V513 HydrophobicContact CG2-CG2 4.02Å; I506-L588 HydrophobicContact CD1-CD1 4.09Å; I506-L588 HydrophobicContact CD1-CD2 4.31Å; I506-L588 HydrophobicContact CD1-CG 4.42Å; I506-L588 HydrophobicContact CG1-CD1 3.99Å; I506-L588 HydrophobicContact CG2-CD1 3.96Å; I506-T589 PolarHBondContact N-O 3.34Å; I506-V590 HydrophobicContact CD1-CG2 4.14Å; I506-V590 HydrophobicContact CG1-CB 4.46Å; I506-V590 HydrophobicContact CG1-CG1 4.47Å; I506-V590 HydrophobicContact CG1-CG2 4.04Å; I506-V590 WeakPolarHBondContact O-CA 3.46Å; I506-C591 PolarHBondContact O-N 2.83Å; I506-C591 PolarHBondContact O-SG 3.27Å; I506-C591 VanDerWaalsContact O-SG 3.4Å
507	C	84.3	Confident	88.7	Confident	37 Å²	37	55.4 Å²	55.4	25%	0.25	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	156.2	173.1	-62.2	0	0	0	0	111.9	D509 A510 C593	C507-D509 VanDerWaalsContact C-N 3.32Å; C507-D509 WeakPolarHBondContact CB-OD1 3.38Å; C507-D509 PolarHBondContact O-N 3.45Å; C507-A510 VanDerWaalsContact O-CB 3.23Å; C507-A510 WeakPolarHBondContact O-CB 3.33Å; C507-A510 PolarHBondContact O-N 3.24Å; C507-C593 WeakPolarHBondContact CA-SG 3.11Å; C507-C593 HydrophobicContact CB-CB 3.58Å; C507-C593 WeakPolarHBondContact CB-SG 3.31Å; C507-C593 WeakPolarHBondContact SG-CB 3.23Å; C507-C593 CovalentContact SG-SG 2.03Å; C507-C593 PolarHBondContact SG-SG 3.27Å
508	N	82.1	Confident	88.6	Confident	64 Å²	64	60.2 Å²	60.2	34%	0.342	33%	0.326	S	S	.	.	S	Bend	trans	-72.4	-18.5	-178.4	56.8	-23.9	0	0	0	115.1	K561 L563 C591	N508-K561 PolarHBondContact O-NZ 3.45Å; N508-L563 HydrophobicContact CB-CD2 3.93Å; N508-C591 VanDerWaalsContact CB-O 3.31Å; N508-C591 WeakPolarHBondContact CB-O 3.13Å; N508-C591 PolarHBondContact N-O 2.68Å; N508-C591 PolarHBondContact OD1-O 3.47Å
509	D	81.4	Confident	88.7	Confident	109 Å²	109	57.8 Å²	57.8	58%	0.583	31%	0.31	S	S	*	.	S	Bend	trans	-75.7	-29	171	54.9	-4.7	0	0	0	112.7	C507 Q511	C507-D509 VanDerWaalsContact C-N 3.32Å; C507-D509 WeakPolarHBondContact CB-OD1 3.38Å; C507-D509 PolarHBondContact O-N 3.45Å; D509-Q511 PolarHBondContact O-N 3.01Å
510	A	82.1	Confident	88.6	Confident	37 Å²	37	62 Å²	62	31%	0.306	33%	0.332	S	S	.	.			trans	-50.5	132.3	172.4	0	0	0	0	0	111.2	I506 C507 K561	I506-A510 HydrophobicContact CB-CB 4.46Å; C507-A510 VanDerWaalsContact O-CB 3.23Å; C507-A510 WeakPolarHBondContact O-CB 3.33Å; C507-A510 PolarHBondContact O-N 3.24Å; A510-K561 PolarHBondContact O-NZ 2.81Å
511	Q	81.2	Confident	88.7	Confident	125 Å²	125	58 Å²	58	58%	0.584	31%	0.312	S	S	*	.			trans	-95.9	-20.7	-176.8	-59.1	-169.4	29	0	0	112.8	D509 Q557	D509-Q511 PolarHBondContact O-N 3.01Å; Q511-Q557 PolarHBondContact O-NE2 3.13Å
512	Y	88.1	Confident	88.6	Confident	94 Å²	94	53.9 Å²	53.9	37%	0.369	30%	0.297	S	S	.	.			trans	-145.7	167.2	-175.9	-54.9	-79.7	0	0	0	109.1	V547 L555 L556 Q557	Y512-V547 HydrophobicContact CD1-CG2 4.42Å; Y512-V547 HydrophobicContact CE1-CB 4.3Å; Y512-V547 HydrophobicContact CE1-CG1 4.01Å; Y512-V547 HydrophobicContact CE1-CG2 4.14Å; Y512-L555 HydrophobicContact CD1-CD2 3.99Å; Y512-L555 HydrophobicContact CD1-CG 4.12Å; Y512-L555 HydrophobicContact CG-CD1 4.33Å; Y512-L555 HydrophobicContact CG-CD2 3.97Å; Y512-L555 HydrophobicContact CG-CG 4.08Å; Y512-L556 CarbonylContact C-O 3.53Å; Y512-L556 VanDerWaalsContact CA-O 3.25Å; Y512-L556 WeakPolarHBondContact CA-O 3.18Å; Y512-Q557 HydrophobicContact CD1-CB 3.89Å; Y512-Q557 HydrophobicContact CD1-CG 4.34Å; Y512-Q557 HydrophobicContact CE1-CB 4.03Å; Y512-Q557 HydrophobicContact CE1-CG 4.22Å; Y512-Q557 PolarHBondContact OH-NE2 3.25Å
513	V	89.6	Confident	88.4	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.6	165.1	59.5	0	0	0	0	108.6	I506 V515 W544 L556 L588	I506-V513 HydrophobicContact CD1-CB 4.23Å; I506-V513 HydrophobicContact CG2-CB 4.43Å; I506-V513 HydrophobicContact CG2-CG2 4.02Å; V513-V515 HydrophobicContact CG1-CG2 4.31Å; V513-V515 HydrophobicContact CG2-CG2 4.27Å; V513-W544 HydrophobicContact CG1-CZ3 4.36Å; V513-L556 HydrophobicContact CG1-CB 3.74Å; V513-L556 HydrophobicContact CG1-CD1 4.11Å; V513-L556 HydrophobicContact CG1-CG 4.41Å; V513-L556 PolarHBondContact N-O 3.23Å; V513-L556 PolarHBondContact O-N 3.29Å; V513-L588 HydrophobicContact CB-CD2 4.38Å; V513-L588 HydrophobicContact CG1-CD2 3.75Å; V513-L588 HydrophobicContact CG2-CD1 4.07Å; V513-L588 HydrophobicContact CG2-CD2 4.48Å
514	N	91.6	Very high	88.4	Confident	74 Å²	74	56.7 Å²	56.7	40%	0.396	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.1	173.1	-171.1	4.2	0	0	0	109	Q504 S553 L555	Q504-N514 PolarHBondContact NE2-O 2.85Å; Q504-N514 VanDerWaalsContact NE2-O 3.12Å; Q504-N514 PolarHBondContact OE1-O 3.12Å; N514-S553 WeakPolarHBondContact OD1-CB 3.46Å; N514-L555 HydrophobicContact CB-CD1 4.41Å
515	V	92.1	Very high	88.5	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	105.9	-177.4	-179.2	0	0	0	0	107.8	L499 V513 S553 V554 L556 L586	L499-V515 HydrophobicContact CD2-CG1 3.48Å; L499-V515 VanDerWaalsContact CD2-CG1 3.48Å; V513-V515 HydrophobicContact CG1-CG2 4.31Å; V513-V515 HydrophobicContact CG2-CG2 4.27Å; V515-S553 WeakPolarHBondContact O-CA 3.43Å; V515-V554 HydrophobicContact CB-CG1 3.96Å; V515-V554 HydrophobicContact CG1-CG1 4.44Å; V515-V554 PolarHBondContact N-O 2.81Å; V515-V554 PolarHBondContact O-N 2.86Å; V515-L556 HydrophobicContact CB-CD1 4.41Å; V515-L556 HydrophobicContact CG2-CD1 3.58Å; V515-L556 HydrophobicContact CG2-CG 4.33Å; V515-L586 HydrophobicContact CB-CD2 4.43Å; V515-L586 HydrophobicContact CG1-CD2 4.08Å; V515-L586 HydrophobicContact CG2-CD2 3.44Å; V515-L586 VanDerWaalsContact CG2-CD2 3.44Å
516	T	93.1	Very high	88.6	Confident	46 Å²	46	53.3 Å²	53.3	28%	0.282	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.8	179.2	44.7	0	0	0	0	111.2	I500	I500-T516 PolarHBondContact N-O 3.21Å
517	A	91.8	Very high	88.4	Confident	5 Å²	5	52.7 Å²	52.7	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	152.4	164	0	0	0	0	0	110	P497 T498 F529 F531 T552 I572	P497-A517 HydrophobicContact CB-CB 4.15Å; T498-A517 CarbonylContact O-C 3.58Å; T498-A517 WeakPolarHBondContact O-CA 3.06Å; T498-A517 WeakPolarHBondContact O-CB 3.39Å; A517-F529 HydrophobicContact CB-CD2 3.92Å; A517-F529 HydrophobicContact CB-CE2 3.99Å; A517-F531 HydrophobicContact CB-CE1 4.01Å; A517-F531 HydrophobicContact CB-CZ 3.82Å; A517-T552 PolarHBondContact N-O 3.05Å; A517-I572 HydrophobicContact CB-CD1 4.05Å
518	E	92.8	Very high	88.8	Confident	102 Å²	102	54.1 Å²	54.1	48%	0.477	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.1	171	-176.6	166.6	-135	0	0	108.4	T498 I500 L520	T498-E518 PolarHBondContact N-O 3.06Å; T498-E518 PolarHBondContact O-N 2.89Å; T498-E518 PolarHBondContact OG1-O 3.23Å; I500-E518 HydrophobicContact CD1-CB 3.87Å; I500-E518 HydrophobicContact CG1-CB 3.69Å; E518-L520 HydrophobicContact CG-CD2 4.11Å
519	D	93.8	Very high	89.3	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.064	28%	0.28	C	S	.	.			trans	-133	126	171.8	-162.5	-10.1	0	0	0	106.5	N495 C496 P497 S526 F529	N495-D519 VanDerWaalsContact C-OD1 3.32Å; N495-D519 WeakPolarHBondContact CB-OD1 3.39Å; C496-D519 VanDerWaalsContact C-OD2 3.25Å; C496-D519 WeakPolarHBondContact CA-OD1 3.25Å; C496-D519 WeakPolarHBondContact CA-OD2 3.35Å; C496-D519 PolarHBondContact N-OD1 2.83Å; P497-D519 HydrophobicContact CB-CB 4.32Å; P497-D519 WeakPolarHBondContact CD-OD2 3.23Å; P497-D519 HydrophobicContact CG-CB 4.09Å; P497-D519 WeakPolarHBondContact CG-OD2 3.45Å; D519-S526 PolarHBondContact O-OG 2.95Å; D519-S526 VanDerWaalsContact O-OG 3.09Å; D519-F529 HydrophobicContact CB-CE1 3.55Å; D519-F529 HydrophobicContact CB-CE2 4.45Å; D519-F529 HydrophobicContact CB-CZ 3.4Å; D519-F529 VanDerWaalsContact CB-CZ 3.4Å
520	L	92.2	Very high	89.8	Confident	100 Å²	100	49 Å²	49	52%	0.524	27%	0.272	S	S	.	.			trans	-81.6	-24	-162.8	-62.9	177.2	0	0	0	112.8	E456 N495 E518	E456-L520 HydrophobicContact CB-CB 4.18Å; E456-L520 HydrophobicContact CG-CB 3.65Å; N495-L520 HydrophobicContact CB-CB 4.34Å; E518-L520 HydrophobicContact CG-CD2 4.11Å
521	D	92.8	Very high	90.3	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	26%	0.258	C	S	.	.	S	Bend	trans	-59.3	159.8	-176.4	-63.5	-0.5	0	0	0	112.5	N493 D494 N495 N525 S526	N493-D521 VanDerWaalsContact CA-OD2 3.27Å; N493-D521 WeakPolarHBondContact CA-OD2 3.38Å; D494-D521 PolarHBondContact N-OD2 2.83Å; N495-D521 WeakPolarHBondContact CB-OD1 3.45Å; N495-D521 PolarHBondContact N-OD1 3.1Å; N495-D521 VanDerWaalsContact N-OD1 3.11Å; N495-D521 PolarHBondContact N-OD2 3.36Å; N495-D521 PolarHBondContact ND2-OD1 3.1Å; D521-N525 HydrophobicContact CB-CB 3.7Å; D521-S526 WeakPolarHBondContact O-CB 3.35Å
522	G	88.4	Confident	90.7	Very high	17 Å²	17	44.2 Å²	44.2	18%	0.175	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-71.2	173.9	175.7	0	0	0	0	0	113.8	D491 N525 S526	D491-G522 PolarHBondContact OD1-N 3.12Å; D491-G522 WeakPolarHBondContact OD2-CA 3.41Å; D491-G522 PolarHBondContact OD2-N 3.31Å; G522-N525 WeakPolarHBondContact O-CA 3.38Å; G522-N525 PolarHBondContact O-N 3Å; G522-S526 PolarHBondContact O-N 2.91Å
523	H	86.6	Confident	90.7	Very high	155 Å²	155	41 Å²	41	72%	0.718	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	122.3	165.9	178.7	81.8	0	0	0	108.7
524	P	90.1	Very high	90.7	Very high	62 Å²	62	42.4 Å²	42.4	40%	0.403	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	cis	-111	16.9	29.5	42	-36.8	0	0	0	115.9	N575 Q576	P524-N575 PolarHBondContact O-ND2 2.8Å; P524-Q576 PolarHBondContact O-NE2 3.35Å
525	N	90.9	Very high	90.4	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-38.9	-177.8	-67.7	-21.8	0	0	0	112.3	D491 I492 N493 D521 G522 D574 Q576	D491-N525 VanDerWaalsContact CG-ND2 3.27Å; D491-N525 PolarHBondContact O-ND2 2.64Å; D491-N525 PolarHBondContact OD1-ND2 3.48Å; I492-N525 VanDerWaalsContact C-ND2 3.25Å; I492-N525 WeakPolarHBondContact CA-ND2 3.41Å; I492-N525 PolarHBondContact N-ND2 2.87Å; N493-N525 HydrophobicContact CB-CB 4.18Å; N493-N525 PolarHBondContact N-ND2 2.69Å; N493-N525 PolarHBondContact ND2-O 2.93Å; D521-N525 HydrophobicContact CB-CB 3.7Å; G522-N525 WeakPolarHBondContact O-CA 3.38Å; G522-N525 PolarHBondContact O-N 3Å; N525-D574 WeakPolarHBondContact O-CB 3.39Å; N525-Q576 PolarHBondContact OD1-NE2 2.9Å
526	S	89.6	Confident	89.9	Confident	19 Å²	19	48.4 Å²	48.4	13%	0.133	27%	0.272	C	S	.	.	S	Bend	trans	-80.2	-128	174.4	174.4	0	0	0	0	112.6	D519 D521 G522 N575	D519-S526 PolarHBondContact O-OG 2.95Å; D519-S526 VanDerWaalsContact O-OG 3.09Å; D521-S526 WeakPolarHBondContact O-CB 3.35Å; G522-S526 PolarHBondContact O-N 2.91Å; S526-N575 WeakPolarHBondContact O-CB 3.27Å; S526-N575 PolarHBondContact O-N 2.88Å
527	G	82.8	Confident	89.4	Confident	19 Å²	19	50.3 Å²	50.3	20%	0.196	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.1	157.8	-168.3	0	0	0	0	0	116.2
528	P	91.8	Very high	88.9	Confident	67 Å²	67	55.3 Å²	55.3	44%	0.435	32%	0.317	S	S	.	.	S	Bend	cis	-85.1	144.7	10.4	33.2	-37	0	0	0	115.2	S551 N575	P528-S551 WeakPolarHBondContact CA-O 3.37Å; P528-N575 WeakPolarHBondContact O-CA 3.43Å; P528-N575 PolarHBondContact O-N 3.02Å
529	F	93.3	Very high	88.3	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.035	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-88.4	155.4	-177.5	-50.1	-31.9	0	0	0	114	P497 A517 D519 F531 Q549 S551 T552 I572 S573	P497-F529 HydrophobicContact CB-CD1 4.16Å; P497-F529 HydrophobicContact CB-CD2 4.12Å; P497-F529 HydrophobicContact CB-CE1 4.26Å; P497-F529 HydrophobicContact CB-CE2 4.25Å; P497-F529 HydrophobicContact CB-CG 4.1Å; P497-F529 HydrophobicContact CB-CZ 4.33Å; P497-F529 HydrophobicContact CG-CD1 3.66Å; P497-F529 HydrophobicContact CG-CD2 4.49Å; P497-F529 HydrophobicContact CG-CE1 3.83Å; P497-F529 HydrophobicContact CG-CG 4.03Å; P497-F529 HydrophobicContact CG-CZ 4.37Å; A517-F529 HydrophobicContact CB-CD2 3.92Å; A517-F529 HydrophobicContact CB-CE2 3.99Å; D519-F529 HydrophobicContact CB-CE1 3.55Å; D519-F529 HydrophobicContact CB-CE2 4.45Å; D519-F529 HydrophobicContact CB-CZ 3.4Å; D519-F529 VanDerWaalsContact CB-CZ 3.4Å; F529-F531 HydrophobicContact CB-CD2 4.4Å; F529-F531 HydrophobicContact CB-CE2 3.93Å; F529-F531 HydrophobicContact CD2-CE2 4.39Å; F529-F531 HydrophobicContact CD2-CZ 4.36Å; F529-Q549 PolarHBondContact O-NE2 2.93Å; F529-S551 PolarHBondContact N-O 2.66Å; F529-T552 HydrophobicContact CD2-CG2 4.26Å; F529-T552 HydrophobicContact CE2-CG2 3.76Å; F529-T552 HydrophobicContact CZ-CG2 4.18Å; F529-I572 HydrophobicContact CB-CG2 4.2Å; F529-S573 CarbonylContact C-O 3.46Å; F529-S573 VanDerWaalsContact CA-O 3.3Å; F529-S573 WeakPolarHBondContact CA-O 3.42Å; F529-S573 WeakPolarHBondContact CB-O 3.45Å
530	S	91.6	Very high	87.7	Confident	57 Å²	57	51.6 Å²	51.6	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.9	173.8	-170.5	0	0	0	0	111.3	I572 S573	S530-I572 WeakPolarHBondContact O-CA 3.49Å; S530-S573 WeakPolarHBondContact CB-OG 3.46Å; S530-S573 PolarHBondContact N-O 3.48Å; S530-S573 PolarHBondContact O-N 2.99Å
531	F	91.9	Very high	87.1	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.5	-179.3	-69.3	-96.9	0	0	0	112.1	A517 F529 I546 Q549 V554 F570 I572	A517-F531 HydrophobicContact CB-CE1 4.01Å; A517-F531 HydrophobicContact CB-CZ 3.82Å; F529-F531 HydrophobicContact CB-CD2 4.4Å; F529-F531 HydrophobicContact CB-CE2 3.93Å; F529-F531 HydrophobicContact CD2-CE2 4.39Å; F529-F531 HydrophobicContact CD2-CZ 4.36Å; F531-I546 HydrophobicContact CB-CD1 4.11Å; F531-I546 WeakPolarHBondContact O-CD1 3.49Å; F531-Q549 HydrophobicContact CD2-CG 3.98Å; F531-V554 HydrophobicContact CB-CB 4.09Å; F531-V554 HydrophobicContact CB-CG1 4.2Å; F531-V554 HydrophobicContact CB-CG2 4.05Å; F531-V554 HydrophobicContact CD1-CB 3.88Å; F531-V554 HydrophobicContact CD1-CG1 3.43Å; F531-V554 VanDerWaalsContact CD1-CG1 3.43Å; F531-V554 HydrophobicContact CD2-CB 3.92Å; F531-V554 HydrophobicContact CD2-CG1 4.4Å; F531-V554 HydrophobicContact CE1-CB 4.22Å; F531-V554 HydrophobicContact CE1-CG1 3.77Å; F531-V554 HydrophobicContact CE2-CB 4.26Å; F531-V554 HydrophobicContact CG-CB 3.71Å; F531-V554 HydrophobicContact CG-CG1 3.78Å; F531-V554 HydrophobicContact CG-CG2 4.22Å; F531-V554 HydrophobicContact CZ-CB 4.4Å; F531-V554 HydrophobicContact CZ-CG1 4.38Å; F531-F570 HydrophobicContact CD1-CD1 4.4Å; F531-I572 HydrophobicContact CD1-CD1 4.11Å; F531-I572 HydrophobicContact CD1-CG1 4.04Å; F531-I572 HydrophobicContact CD1-CG2 3.94Å; F531-I572 HydrophobicContact CE1-CD1 3.84Å; F531-I572 HydrophobicContact CE1-CG1 4.25Å; F531-I572 HydrophobicContact CE1-CG2 3.93Å; F531-I572 HydrophobicContact CG-CG2 4.27Å; F531-I572 HydrophobicContact CZ-CG2 4.25Å
532	S	89.3	Confident	86.4	Confident	55 Å²	55	55.3 Å²	55.3	39%	0.385	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.2	175.2	-75.6	0	0	0	0	112	I534 L571	S532-I534 PolarHBondContact O-N 2.81Å; S532-L571 WeakPolarHBondContact CA-O 3.24Å; S532-L571 WeakPolarHBondContact CB-O 3.39Å; S532-L571 PolarHBondContact N-O 3.5Å; S532-L571 PolarHBondContact O-N 3.4Å
533	V	89.8	Confident	86.2	Confident	26 Å²	26	58.5 Å²	58.5	16%	0.158	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	123	170.8	178.8	0	0	0	0	109.4	A541 I546 L556 I568 F570	V533-A541 HydrophobicContact CG1-CB 4.24Å; V533-I546 HydrophobicContact CG2-CD1 4.36Å; V533-I546 HydrophobicContact CG2-CG1 4.23Å; V533-L556 HydrophobicContact CG2-CD2 4.21Å; V533-I568 HydrophobicContact CG1-CG2 3.96Å; V533-F570 HydrophobicContact CG2-CD1 4.37Å; V533-F570 HydrophobicContact CG2-CE1 3.57Å; V533-F570 HydrophobicContact CG2-CZ 3.82Å
534	I	88.1	Confident	86.1	Confident	38 Å²	38	51.4 Å²	51.4	20%	0.195	30%	0.301	C	S	.	.			trans	-89.1	128.7	179.8	-60.5	-60.2	0	0	0	110.1	S532 K536 Q569 L571	S532-I534 PolarHBondContact O-N 2.81Å; I534-K536 HydrophobicContact CG2-CB 4.21Å; I534-K536 HydrophobicContact CG2-CD 3.67Å; I534-K536 HydrophobicContact CG2-CG 3.86Å; I534-K536 PolarHBondContact O-N 2.72Å; I534-Q569 HydrophobicContact CB-CB 4.1Å; I534-Q569 HydrophobicContact CB-CG 4.04Å; I534-Q569 HydrophobicContact CG1-CG 4.28Å; I534-Q569 PolarHBondContact N-O 2.82Å; I534-L571 HydrophobicContact CD1-CB 3.81Å; I534-L571 HydrophobicContact CD1-CD2 4.47Å; I534-L571 HydrophobicContact CG1-CB 3.96Å
535	D	85.9	Confident	85.9	Confident	69 Å²	69	53.8 Å²	53.8	37%	0.369	31%	0.305	S	S	.	.			trans	-76.4	64.1	-177	-160.9	49.3	0	0	0	113.2	P537 P538 G539 M540 A541	D535-P537 CarbonylContact C-O 3.54Å; D535-P538 VanDerWaalsContact OD2-CA 3.25Å; D535-P538 WeakPolarHBondContact OD2-CA 3.14Å; D535-G539 VanDerWaalsContact CG-N 3.3Å; D535-G539 WeakPolarHBondContact OD1-CA 3.34Å; D535-G539 PolarHBondContact OD1-N 3.2Å; D535-G539 PolarHBondContact OD2-N 3.46Å; D535-M540 PolarHBondContact OD1-N 2.95Å; D535-A541 HydrophobicContact CB-CB 3.97Å; D535-A541 PolarHBondContact OD1-N 2.8Å
536	K	80.8	Confident	85.9	Confident	133 Å²	133	56 Å²	56	58%	0.578	32%	0.315	S	S	*	.	S	Bend	trans	-138.3	111.5	-179.6	-69.8	174.4	-170.2	158.1	0	109.7	I534	I534-K536 HydrophobicContact CG2-CB 4.21Å; I534-K536 HydrophobicContact CG2-CD 3.67Å; I534-K536 HydrophobicContact CG2-CG 3.86Å; I534-K536 PolarHBondContact O-N 2.72Å
537	P	84.5	Confident	85.8	Confident	86 Å²	86	58.6 Å²	58.6	56%	0.558	33%	0.331	S	S	*	.	S	Bend	cis	-64.3	158.1	-3.9	29.5	-36.7	0	0	0	112.7	D535 M540	D535-P537 CarbonylContact C-O 3.54Å; P537-M540 HydrophobicContact CG-CE 4.4Å; P537-M540 WeakPolarHBondContact O-CB 3.38Å; P537-M540 PolarHBondContact O-N 3.16Å
538	P	80.6	Confident	86	Confident	110 Å²	110	61.5 Å²	61.5	71%	0.714	34%	0.339	S	S	*	.	S	Bend	trans	-62	144.6	-175.5	24.6	-34.6	0	0	0	113	D535	D535-P538 VanDerWaalsContact OD2-CA 3.25Å; D535-P538 WeakPolarHBondContact OD2-CA 3.14Å
539	G	79.4	Confident	85.9	Confident	16 Å²	16	62 Å²	62	17%	0.165	34%	0.335	C	S	.	.	S	Bend	trans	72.8	30.4	-169.1	0	0	0	0	0	112.9	D535 K543	D535-G539 VanDerWaalsContact CG-N 3.3Å; D535-G539 WeakPolarHBondContact OD1-CA 3.34Å; D535-G539 PolarHBondContact OD1-N 3.2Å; D535-G539 PolarHBondContact OD2-N 3.46Å; G539-K543 WeakPolarHBondContact O-CD 3.44Å; G539-K543 VanDerWaalsContact O-CG 3.31Å; G539-K543 WeakPolarHBondContact O-CG 3.3Å; G539-K543 PolarHBondContact O-NZ 2.97Å
540	M	82.1	Confident	85.7	Confident	20 Å²	20	66.5 Å²	66.5	10%	0.099	36%	0.357	C	S	.	.	S	Bend	trans	-95.3	-39.6	169.1	177.7	151.1	-81	0	0	111.8	D535 P537 E542 K543 W544	D535-M540 PolarHBondContact OD1-N 2.95Å; P537-M540 HydrophobicContact CG-CE 4.4Å; P537-M540 WeakPolarHBondContact O-CB 3.38Å; P537-M540 PolarHBondContact O-N 3.16Å; M540-E542 PolarHBondContact O-N 3.21Å; M540-K543 PolarHBondContact O-N 3.45Å; M540-W544 PolarHBondContact O-N 3.22Å
541	A	78.6	Confident	85.5	Confident	39 Å²	39	67.1 Å²	67.1	32%	0.322	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.3	174.2	0	0	0	0	0	112.6	V533 D535	V533-A541 HydrophobicContact CG1-CB 4.24Å; D535-A541 HydrophobicContact CB-CB 3.97Å; D535-A541 PolarHBondContact OD1-N 2.8Å
542	E	79.5	Confident	85.4	Confident	145 Å²	145	69.7 Å²	69.7	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-29.9	168.3	-63.7	-170.1	147.6	0	0	112.8	M540 K545 S559	M540-E542 PolarHBondContact O-N 3.21Å; E542-K545 WeakPolarHBondContact O-CE 3.07Å; E542-S559 PolarHBondContact O-OG 3.49Å
543	K	83.2	Confident	85.5	Confident	84 Å²	84	67.2 Å²	67.2	37%	0.365	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-37.2	-178.7	-72.1	-178.1	-171.1	96.1	0	112.6	G539 M540 Q558 S559	G539-K543 WeakPolarHBondContact O-CD 3.44Å; G539-K543 VanDerWaalsContact O-CG 3.31Å; G539-K543 WeakPolarHBondContact O-CG 3.3Å; G539-K543 PolarHBondContact O-NZ 2.97Å; M540-K543 PolarHBondContact O-N 3.45Å; K543-Q558 CarbonylContact O-C 3.59Å; K543-Q558 WeakPolarHBondContact O-CA 3.46Å; K543-S559 PolarHBondContact O-N 2.82Å
544	W	85.5	Confident	85.7	Confident	7 Å²	7	66 Å²	66	3%	0.027	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.7	179.5	-71.2	106.1	0	0	0	109	V513 M540 L556 Q558 S566 I568 L588 V590	V513-W544 HydrophobicContact CG1-CZ3 4.36Å; M540-W544 PolarHBondContact O-N 3.22Å; W544-L556 HydrophobicContact CE3-CB 4.39Å; W544-Q558 HydrophobicContact CD2-CB 4.42Å; W544-Q558 HydrophobicContact CD2-CG 4.18Å; W544-Q558 HydrophobicContact CE3-CB 3.99Å; W544-Q558 HydrophobicContact CE3-CG 4.25Å; W544-Q558 HydrophobicContact CH2-CB 3.6Å; W544-Q558 HydrophobicContact CH2-CG 3.63Å; W544-Q558 HydrophobicContact CZ2-CB 4.08Å; W544-Q558 HydrophobicContact CZ2-CG 3.55Å; W544-Q558 VanDerWaalsContact CZ2-NE2 3.34Å; W544-Q558 HydrophobicContact CZ3-CB 3.57Å; W544-Q558 HydrophobicContact CZ3-CG 3.99Å; W544-S566 PolarHBondContact NE1-OG 3.42Å; W544-I568 HydrophobicContact CB-CD1 4.22Å; W544-I568 HydrophobicContact CD2-CD1 3.53Å; W544-I568 HydrophobicContact CD2-CG1 4.42Å; W544-I568 HydrophobicContact CE3-CD1 4.06Å; W544-I568 HydrophobicContact CG-CD1 3.58Å; W544-I568 HydrophobicContact CG-CG1 4.09Å; W544-I568 HydrophobicContact CZ2-CD1 4.33Å; W544-L588 HydrophobicContact CE3-CD2 4.43Å; W544-L588 HydrophobicContact CH2-CD2 3.31Å; W544-L588 HydrophobicContact CH2-CG 4.31Å; W544-L588 HydrophobicContact CZ2-CD2 3.83Å; W544-L588 HydrophobicContact CZ3-CD2 3.65Å; W544-V590 HydrophobicContact CH2-CG2 4.33Å
545	K	86.1	Confident	85.9	Confident	112 Å²	112	66.7 Å²	66.7	49%	0.487	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.7	-177.3	-66.9	179.6	-179	172.6	0	110.2	E542 L556 Q557	E542-K545 WeakPolarHBondContact O-CE 3.07Å; K545-L556 CarbonylContact O-C 3.59Å; K545-L556 WeakPolarHBondContact O-CA 3.37Å; K545-Q557 PolarHBondContact N-O 2.99Å; K545-Q557 PolarHBondContact O-N 3.13Å
546	I	89.1	Confident	86.1	Confident	59 Å²	59	63.4 Å²	63.4	30%	0.303	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.7	163.1	-62.7	172.6	0	0	0	107.3	F531 V533 Q549 V554 L556	F531-I546 HydrophobicContact CB-CD1 4.11Å; F531-I546 WeakPolarHBondContact O-CD1 3.49Å; V533-I546 HydrophobicContact CG2-CD1 4.36Å; V533-I546 HydrophobicContact CG2-CG1 4.23Å; I546-Q549 HydrophobicContact CG2-CB 4.28Å; I546-V554 HydrophobicContact CB-CG2 4.1Å; I546-V554 HydrophobicContact CD1-CG2 3.92Å; I546-V554 HydrophobicContact CG1-CG2 3.65Å; I546-V554 HydrophobicContact CG2-CG2 3.48Å; I546-V554 VanDerWaalsContact CG2-CG2 3.48Å; I546-L556 HydrophobicContact CG1-CD2 3.73Å
547	V	87.9	Confident	86.5	Confident	74 Å²	74	60.1 Å²	60.1	45%	0.448	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-41.9	179.4	176.4	0	0	0	0	110.9	Y512 L555 Q557	Y512-V547 HydrophobicContact CD1-CG2 4.42Å; Y512-V547 HydrophobicContact CE1-CB 4.3Å; Y512-V547 HydrophobicContact CE1-CG1 4.01Å; Y512-V547 HydrophobicContact CE1-CG2 4.14Å; V547-L555 PolarHBondContact N-O 3.44Å; V547-Q557 HydrophobicContact CG2-CB 3.5Å; V547-Q557 VanDerWaalsContact CG2-CB 3.5Å
548	H	87.8	Confident	86.4	Confident	81 Å²	81	57.5 Å²	57.5	38%	0.375	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153	171.3	-163.1	41.9	0	0	0	108.8	L555 E805	H548-L555 HydrophobicContact CB-CB 4.01Å; H548-L555 HydrophobicContact CB-CD2 4.29Å; H548-L555 PolarHBondContact O-N 2.89Å; H548-E805 IonicContact CE1-OE1 2.62Å; H548-E805 IonicContact NE2-OE1 3.69Å; H548-E805 PolarHBondContact NE2-OE1 3.21Å
549	Q	88.4	Confident	86.3	Confident	77 Å²	77	55.3 Å²	55.3	36%	0.36	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.3	177	-178.6	-177.3	-24.6	0	0	108.3	F529 F531 I546 V554	F529-Q549 PolarHBondContact O-NE2 2.93Å; F531-Q549 HydrophobicContact CD2-CG 3.98Å; I546-Q549 HydrophobicContact CG2-CB 4.28Å; Q549-V554 HydrophobicContact CB-CG2 4.27Å; Q549-V554 HydrophobicContact CG-CG2 4.37Å
550	E	89.7	Confident	86.1	Confident	102 Å²	102	58.4 Å²	58.4	48%	0.477	30%	0.304	S	S	.	.			trans	-100.1	-173.6	177	-59.8	175.8	167.2	0	0	109.5	T552 S553	E550-T552 VanDerWaalsContact C-N 3.28Å; E550-T552 PolarHBondContact O-N 3.21Å; E550-S553 WeakPolarHBondContact CB-OG 3.41Å; E550-S553 PolarHBondContact N-O 2.88Å; E550-S553 PolarHBondContact OE2-OG 2.93Å
551	S	86.9	Confident	85.5	Confident	70 Å²	70	63.5 Å²	63.5	49%	0.49	33%	0.325	S	S	.	.	S	Bend	trans	-66.1	-27.9	178.5	48.3	0	0	0	0	114	P528 F529	P528-S551 WeakPolarHBondContact CA-O 3.37Å; F529-S551 PolarHBondContact N-O 2.66Å
552	T	90.3	Very high	85.3	Confident	60 Å²	60	66.9 Å²	66.9	37%	0.368	33%	0.333	S	S	.	.	S	Bend	trans	-135.3	-3.8	-175.5	53.6	0	0	0	0	114.1	A517 F529 E550	A517-T552 PolarHBondContact N-O 3.05Å; F529-T552 HydrophobicContact CD2-CG2 4.26Å; F529-T552 HydrophobicContact CE2-CG2 3.76Å; F529-T552 HydrophobicContact CZ-CG2 4.18Å; E550-T552 VanDerWaalsContact C-N 3.28Å; E550-T552 PolarHBondContact O-N 3.21Å
553	S	92.2	Very high	85.4	Confident	4 Å²	4	65 Å²	65	3%	0.028	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	158	-176	95	0	0	0	0	111.7	N514 V515 E550	N514-S553 WeakPolarHBondContact OD1-CB 3.46Å; V515-S553 WeakPolarHBondContact O-CA 3.43Å; E550-S553 WeakPolarHBondContact CB-OG 3.41Å; E550-S553 PolarHBondContact N-O 2.88Å; E550-S553 PolarHBondContact OE2-OG 2.93Å
554	V	93.3	Very high	85.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.8	172.6	72.3	0	0	0	0	111.9	V515 F531 I546 Q549 L556 F570	V515-V554 HydrophobicContact CB-CG1 3.96Å; V515-V554 HydrophobicContact CG1-CG1 4.44Å; V515-V554 PolarHBondContact N-O 2.81Å; V515-V554 PolarHBondContact O-N 2.86Å; F531-V554 HydrophobicContact CB-CB 4.09Å; F531-V554 HydrophobicContact CB-CG1 4.2Å; F531-V554 HydrophobicContact CB-CG2 4.05Å; F531-V554 HydrophobicContact CD1-CB 3.88Å; F531-V554 HydrophobicContact CD1-CG1 3.43Å; F531-V554 VanDerWaalsContact CD1-CG1 3.43Å; F531-V554 HydrophobicContact CD2-CB 3.92Å; F531-V554 HydrophobicContact CD2-CG1 4.4Å; F531-V554 HydrophobicContact CE1-CB 4.22Å; F531-V554 HydrophobicContact CE1-CG1 3.77Å; F531-V554 HydrophobicContact CE2-CB 4.26Å; F531-V554 HydrophobicContact CG-CB 3.71Å; F531-V554 HydrophobicContact CG-CG1 3.78Å; F531-V554 HydrophobicContact CG-CG2 4.22Å; F531-V554 HydrophobicContact CZ-CB 4.4Å; F531-V554 HydrophobicContact CZ-CG1 4.38Å; I546-V554 HydrophobicContact CB-CG2 4.1Å; I546-V554 HydrophobicContact CD1-CG2 3.92Å; I546-V554 HydrophobicContact CG1-CG2 3.65Å; I546-V554 HydrophobicContact CG2-CG2 3.48Å; I546-V554 VanDerWaalsContact CG2-CG2 3.48Å; Q549-V554 HydrophobicContact CB-CG2 4.27Å; Q549-V554 HydrophobicContact CG-CG2 4.37Å; V554-L556 HydrophobicContact CG1-CD2 4.38Å; V554-L556 HydrophobicContact CG1-CG 4.44Å; V554-L556 HydrophobicContact CG2-CD2 4.44Å; V554-F570 HydrophobicContact CG1-CE1 4.37Å
555	L	92.7	Very high	85.3	Confident	52 Å²	52	69.8 Å²	69.8	27%	0.272	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111.1	-179.1	-166.7	73.7	0	0	0	109.9	Y512 N514 V547 H548	Y512-L555 HydrophobicContact CD1-CD2 3.99Å; Y512-L555 HydrophobicContact CD1-CG 4.12Å; Y512-L555 HydrophobicContact CG-CD1 4.33Å; Y512-L555 HydrophobicContact CG-CD2 3.97Å; Y512-L555 HydrophobicContact CG-CG 4.08Å; N514-L555 HydrophobicContact CB-CD1 4.41Å; V547-L555 PolarHBondContact N-O 3.44Å; H548-L555 HydrophobicContact CB-CB 4.01Å; H548-L555 HydrophobicContact CB-CD2 4.29Å; H548-L555 PolarHBondContact O-N 2.89Å
556	L	90.4	Very high	85.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.9	-177.2	-54	165.4	0	0	0	111.8	Y512 V513 V515 V533 W544 K545 I546 V554 F570 L586	Y512-L556 CarbonylContact C-O 3.53Å; Y512-L556 VanDerWaalsContact CA-O 3.25Å; Y512-L556 WeakPolarHBondContact CA-O 3.18Å; V513-L556 HydrophobicContact CG1-CB 3.74Å; V513-L556 HydrophobicContact CG1-CD1 4.11Å; V513-L556 HydrophobicContact CG1-CG 4.41Å; V513-L556 PolarHBondContact N-O 3.23Å; V513-L556 PolarHBondContact O-N 3.29Å; V515-L556 HydrophobicContact CB-CD1 4.41Å; V515-L556 HydrophobicContact CG2-CD1 3.58Å; V515-L556 HydrophobicContact CG2-CG 4.33Å; V533-L556 HydrophobicContact CG2-CD2 4.21Å; W544-L556 HydrophobicContact CE3-CB 4.39Å; K545-L556 CarbonylContact O-C 3.59Å; K545-L556 WeakPolarHBondContact O-CA 3.37Å; I546-L556 HydrophobicContact CG1-CD2 3.73Å; V554-L556 HydrophobicContact CG1-CD2 4.38Å; V554-L556 HydrophobicContact CG1-CG 4.44Å; V554-L556 HydrophobicContact CG2-CD2 4.44Å; L556-F570 HydrophobicContact CD1-CE2 4.19Å; L556-F570 HydrophobicContact CD1-CZ 3.57Å; L556-F570 HydrophobicContact CD2-CE1 4.28Å; L556-F570 HydrophobicContact CD2-CZ 3.93Å; L556-F570 HydrophobicContact CG-CZ 4.34Å; L556-L586 HydrophobicContact CD1-CD2 4.2Å
557	Q	87.4	Confident	85.3	Confident	64 Å²	64	66.8 Å²	66.8	30%	0.299	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	171.6	-176.1	164.8	70.1	0	0	112.3	Q511 Y512 K545 V547	Q511-Q557 PolarHBondContact O-NE2 3.13Å; Y512-Q557 HydrophobicContact CD1-CB 3.89Å; Y512-Q557 HydrophobicContact CD1-CG 4.34Å; Y512-Q557 HydrophobicContact CE1-CB 4.03Å; Y512-Q557 HydrophobicContact CE1-CG 4.22Å; Y512-Q557 PolarHBondContact OH-NE2 3.25Å; K545-Q557 PolarHBondContact N-O 2.99Å; K545-Q557 PolarHBondContact O-N 3.13Å; V547-Q557 HydrophobicContact CG2-CB 3.5Å; V547-Q557 VanDerWaalsContact CG2-CB 3.5Å
558	Q	84.1	Confident	85.3	Confident	31 Å²	31	63.3 Å²	63.3	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.8	172.6	-153	-176.6	32.2	0	0	110.1	K543 W544 E560 K562	K543-Q558 CarbonylContact O-C 3.59Å; K543-Q558 WeakPolarHBondContact O-CA 3.46Å; W544-Q558 HydrophobicContact CD2-CB 4.42Å; W544-Q558 HydrophobicContact CD2-CG 4.18Å; W544-Q558 HydrophobicContact CE3-CB 3.99Å; W544-Q558 HydrophobicContact CE3-CG 4.25Å; W544-Q558 HydrophobicContact CH2-CB 3.6Å; W544-Q558 HydrophobicContact CH2-CG 3.63Å; W544-Q558 HydrophobicContact CZ2-CB 4.08Å; W544-Q558 HydrophobicContact CZ2-CG 3.55Å; W544-Q558 VanDerWaalsContact CZ2-NE2 3.34Å; W544-Q558 HydrophobicContact CZ3-CB 3.57Å; W544-Q558 HydrophobicContact CZ3-CG 3.99Å; Q558-E560 VanDerWaalsContact CG-O 3.27Å; Q558-E560 WeakPolarHBondContact CG-O 3.05Å; Q558-E560 PolarHBondContact O-N 3.38Å; Q558-E560 PolarHBondContact OE1-O 2.77Å; Q558-E560 VanDerWaalsContact OE1-O 3.11Å; Q558-K562 PolarHBondContact NE2-O 3.1Å
559	S	78.4	Confident	85.5	Confident	65 Å²	65	60.8 Å²	60.8	46%	0.455	31%	0.309	S	S	.	.	S	Bend	trans	-65.1	-27	176	-62.4	0	0	0	0	112.6	E542 K543	E542-S559 PolarHBondContact O-OG 3.49Å; K543-S559 PolarHBondContact O-N 2.82Å
560	E	73.8	Confident	85.6	Confident	81 Å²	81	57.2 Å²	57.2	38%	0.379	29%	0.292	S	S	.	.	S	Bend	trans	-119.4	94.2	174	-60.9	-170.4	110.8	0	0	109.2	Q558 K562	Q558-E560 VanDerWaalsContact CG-O 3.27Å; Q558-E560 WeakPolarHBondContact CG-O 3.05Å; Q558-E560 PolarHBondContact O-N 3.38Å; Q558-E560 PolarHBondContact OE1-O 2.77Å; Q558-E560 VanDerWaalsContact OE1-O 3.11Å; E560-K562 VanDerWaalsContact C-N 3.35Å; E560-K562 HydrophobicContact CB-CD 4Å; E560-K562 HydrophobicContact CB-CG 4.23Å; E560-K562 PolarHBondContact O-N 2.83Å; E560-K562 WeakPolarHBondContact OE1-CE 3.25Å; E560-K562 IonicContact OE1-NZ 3.08Å; E560-K562 PolarHBondContact OE1-NZ 2.98Å; E560-K562 IonicContact OE2-NZ 2.77Å; E560-K562 PolarHBondContact OE2-NZ 2.76Å
561	K	70.3	Confident	85.7	Confident	126 Å²	126	56.2 Å²	56.2	55%	0.548	29%	0.29	S	S	.	.			trans	-59.3	89.9	178	-80.1	-162.2	162.3	-144.1	0	111.9	N508 A510	N508-K561 PolarHBondContact O-NZ 3.45Å; A510-K561 PolarHBondContact O-NZ 2.81Å
562	K	75.3	Confident	86	Confident	111 Å²	111	53 Å²	53	48%	0.483	27%	0.267	S	S	.	.			trans	-128.2	122.5	-173	-74.8	176.3	-178.4	167.8	0	110	Q558 E560	Q558-K562 PolarHBondContact NE2-O 3.1Å; E560-K562 VanDerWaalsContact C-N 3.35Å; E560-K562 HydrophobicContact CB-CD 4Å; E560-K562 HydrophobicContact CB-CG 4.23Å; E560-K562 PolarHBondContact O-N 2.83Å; E560-K562 WeakPolarHBondContact OE1-CE 3.25Å; E560-K562 IonicContact OE1-NZ 3.08Å; E560-K562 PolarHBondContact OE1-NZ 2.98Å; E560-K562 IonicContact OE2-NZ 2.77Å; E560-K562 PolarHBondContact OE2-NZ 2.76Å
563	L	79.6	Confident	86.1	Confident	105 Å²	105	51.4 Å²	51.4	55%	0.55	26%	0.258	S	S	.	.			trans	-57.6	136.8	170.6	-68.3	165.5	0	0	0	110.8	N508 C591 E592	N508-L563 HydrophobicContact CB-CD2 3.93Å; L563-C591 WeakPolarHBondContact CD2-O 3.27Å; L563-E592 HydrophobicContact CD2-CB 4.43Å
564	G	81.5	Confident	86.1	Confident	34 Å²	34	51.3 Å²	51.3	35%	0.351	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.9	175.4	179.4	0	0	0	0	0	114.1	V590	G564-V590 PolarHBondContact N-O 3.21Å; G564-V590 PolarHBondContact O-N 2.97Å
565	R	85.2	Confident	86	Confident	157 Å²	157	54.9 Å²	54.9	59%	0.592	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.4	175	174.3	175.4	164.8	138.9	-2.2	110.6	E567 T587 L588	R565-E567 IonicContact CZ-OE1 2.63Å; R565-E567 IonicContact NE-OE1 2.68Å; R565-E567 PolarHBondContact NE-OE1 3.46Å; R565-E567 IonicContact NH2-OE1 2.75Å; R565-E567 PolarHBondContact NH2-OE1 2.88Å; R565-T587 HydrophobicContact CG-CG2 4.11Å; R565-L588 WeakPolarHBondContact CA-O 3.04Å
566	S	86	Confident	85.8	Confident	21 Å²	21	57.7 Å²	57.7	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.1	166.3	-64.7	0	0	0	0	109.4	W544 L588	W544-S566 PolarHBondContact NE1-OG 3.42Å; S566-L588 PolarHBondContact N-O 3.31Å; S566-L588 PolarHBondContact O-N 3.35Å
567	E	89.1	Confident	85.7	Confident	88 Å²	88	60.1 Å²	60.1	41%	0.411	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	104	173.4	-69.7	174.8	-177.2	0	0	107	R565 M585 L586	R565-E567 IonicContact CZ-OE1 2.63Å; R565-E567 IonicContact NE-OE1 2.68Å; R565-E567 PolarHBondContact NE-OE1 3.46Å; R565-E567 IonicContact NH2-OE1 2.75Å; R565-E567 PolarHBondContact NH2-OE1 2.88Å; E567-M585 HydrophobicContact CB-CE 4Å; E567-L586 WeakPolarHBondContact CA-O 3.45Å
568	I	89.8	Confident	85.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.5	-170.3	-52.1	170	0	0	0	107.9	V533 W544 F570 L586 L588	V533-I568 HydrophobicContact CG1-CG2 3.96Å; W544-I568 HydrophobicContact CB-CD1 4.22Å; W544-I568 HydrophobicContact CD2-CD1 3.53Å; W544-I568 HydrophobicContact CD2-CG1 4.42Å; W544-I568 HydrophobicContact CE3-CD1 4.06Å; W544-I568 HydrophobicContact CG-CD1 3.58Å; W544-I568 HydrophobicContact CG-CG1 4.09Å; W544-I568 HydrophobicContact CZ2-CD1 4.33Å; I568-F570 HydrophobicContact CB-CE2 4.06Å; I568-F570 HydrophobicContact CG2-CD2 4.24Å; I568-F570 HydrophobicContact CG2-CE2 3.54Å; I568-F570 HydrophobicContact CG2-CZ 3.92Å; I568-L586 HydrophobicContact CB-CB 4.42Å; I568-L586 HydrophobicContact CD1-CD2 4.43Å; I568-L586 PolarHBondContact N-O 3.26Å; I568-L586 PolarHBondContact O-N 2.91Å; I568-L588 HydrophobicContact CD1-CB 4.46Å; I568-L588 HydrophobicContact CD1-CD2 4.14Å
569	Q	91.3	Very high	86.2	Confident	28 Å²	28	61.8 Å²	61.8	13%	0.131	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.5	174.1	-174.1	178.7	-1.2	0	0	110.3	I534 M585	I534-Q569 HydrophobicContact CB-CB 4.1Å; I534-Q569 HydrophobicContact CB-CG 4.04Å; I534-Q569 HydrophobicContact CG1-CG 4.28Å; I534-Q569 PolarHBondContact N-O 2.82Å; Q569-M585 HydrophobicContact CB-CE 4.35Å; Q569-M585 HydrophobicContact CB-SD 3.52Å; Q569-M585 VanDerWaalsContact CB-SD 3.52Å; Q569-M585 HydrophobicContact CG-SD 3.7Å
570	F	90.9	Very high	86.9	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.013	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.7	167.5	-77.2	-85.5	0	0	0	111.8	F531 V533 V554 L556 I568 I572 Q584 L586	F531-F570 HydrophobicContact CD1-CD1 4.4Å; V533-F570 HydrophobicContact CG2-CD1 4.37Å; V533-F570 HydrophobicContact CG2-CE1 3.57Å; V533-F570 HydrophobicContact CG2-CZ 3.82Å; V554-F570 HydrophobicContact CG1-CE1 4.37Å; L556-F570 HydrophobicContact CD1-CE2 4.19Å; L556-F570 HydrophobicContact CD1-CZ 3.57Å; L556-F570 HydrophobicContact CD2-CE1 4.28Å; L556-F570 HydrophobicContact CD2-CZ 3.93Å; L556-F570 HydrophobicContact CG-CZ 4.34Å; I568-F570 HydrophobicContact CB-CE2 4.06Å; I568-F570 HydrophobicContact CG2-CD2 4.24Å; I568-F570 HydrophobicContact CG2-CE2 3.54Å; I568-F570 HydrophobicContact CG2-CZ 3.92Å; F570-I572 HydrophobicContact CB-CD1 4.39Å; F570-I572 HydrophobicContact CB-CG1 3.88Å; F570-Q584 HydrophobicContact CB-CB 3.93Å; F570-Q584 PolarHBondContact N-O 2.9Å; F570-L586 HydrophobicContact CD2-CB 4.23Å; F570-L586 HydrophobicContact CE2-CB 4.03Å; F570-L586 HydrophobicContact CE2-CD2 4.24Å
571	L	92	Very high	87.7	Confident	81 Å²	81	61.8 Å²	61.8	42%	0.424	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.5	148.6	175.1	65.3	0	0	0	105.1	S532 I534	S532-L571 WeakPolarHBondContact CA-O 3.24Å; S532-L571 WeakPolarHBondContact CB-O 3.39Å; S532-L571 PolarHBondContact N-O 3.5Å; S532-L571 PolarHBondContact O-N 3.4Å; I534-L571 HydrophobicContact CD1-CB 3.81Å; I534-L571 HydrophobicContact CD1-CD2 4.47Å; I534-L571 HydrophobicContact CG1-CB 3.96Å
572	I	92.8	Very high	88.6	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130	173.8	-39.2	176.5	0	0	0	105.5	P497 L499 A517 F529 S530 F531 F570 S579 Q584	P497-I572 HydrophobicContact CB-CB 4.14Å; P497-I572 HydrophobicContact CB-CG2 3.63Å; P497-I572 HydrophobicContact CG-CG2 4.29Å; L499-I572 HydrophobicContact CD2-CD1 3.7Å; L499-I572 HydrophobicContact CG-CD1 4.04Å; A517-I572 HydrophobicContact CB-CD1 4.05Å; F529-I572 HydrophobicContact CB-CG2 4.2Å; S530-I572 WeakPolarHBondContact O-CA 3.49Å; F531-I572 HydrophobicContact CD1-CD1 4.11Å; F531-I572 HydrophobicContact CD1-CG1 4.04Å; F531-I572 HydrophobicContact CD1-CG2 3.94Å; F531-I572 HydrophobicContact CE1-CD1 3.84Å; F531-I572 HydrophobicContact CE1-CG1 4.25Å; F531-I572 HydrophobicContact CE1-CG2 3.93Å; F531-I572 HydrophobicContact CG-CG2 4.27Å; F531-I572 HydrophobicContact CZ-CG2 4.25Å; F570-I572 HydrophobicContact CB-CD1 4.39Å; F570-I572 HydrophobicContact CB-CG1 3.88Å; I572-S579 WeakPolarHBondContact O-CB 3.04Å; I572-Q584 HydrophobicContact CD1-CB 4.29Å; I572-Q584 HydrophobicContact CD1-CG 4.1Å; I572-Q584 HydrophobicContact CG1-CB 4.42Å; I572-Q584 HydrophobicContact CG1-CG 4.29Å
573	S	91.6	Very high	89.2	Confident	25 Å²	25	65.2 Å²	65.2	18%	0.175	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.1	166.7	78.2	0	0	0	0	110.7	F529 S530 F578	F529-S573 CarbonylContact C-O 3.46Å; F529-S573 VanDerWaalsContact CA-O 3.3Å; F529-S573 WeakPolarHBondContact CA-O 3.42Å; F529-S573 WeakPolarHBondContact CB-O 3.45Å; S530-S573 WeakPolarHBondContact CB-OG 3.46Å; S530-S573 PolarHBondContact N-O 3.48Å; S530-S573 PolarHBondContact O-N 2.99Å; S573-F578 CarbonylContact C-O 3.48Å; S573-F578 WeakPolarHBondContact CA-O 3.01Å; S573-F578 WeakPolarHBondContact CB-O 3.37Å
574	D	92.7	Very high	89.8	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	33%	0.327	C	S	.	.			trans	-69.7	-167.4	168.1	76.4	-36.9	0	0	0	111.6	N493 P497 N525 Q576 G577 F578	N493-D574 PolarHBondContact ND2-OD2 3.18Å; P497-D574 HydrophobicContact CG-CB 4.11Å; N525-D574 WeakPolarHBondContact O-CB 3.39Å; D574-Q576 VanDerWaalsContact C-N 3.35Å; D574-Q576 PolarHBondContact OD1-N 3.35Å; D574-Q576 WeakPolarHBondContact OD2-CA 3.11Å; D574-Q576 VanDerWaalsContact OD2-CB 3.22Å; D574-Q576 WeakPolarHBondContact OD2-CB 3.35Å; D574-Q576 WeakPolarHBondContact OD2-CG 3.44Å; D574-Q576 PolarHBondContact OD2-N 2.98Å; D574-G577 WeakPolarHBondContact OD1-CA 3.44Å; D574-G577 PolarHBondContact OD1-N 3.05Å; D574-F578 PolarHBondContact N-O 2.66Å; D574-F578 WeakPolarHBondContact OD1-CA 3.38Å; D574-F578 PolarHBondContact OD1-N 3.3Å
575	N	90.6	Very high	90.2	Very high	74 Å²	74	63 Å²	63	40%	0.396	33%	0.326	S	S	.	.	S	Bend	trans	-67.5	-25.8	173.2	176.3	53.8	0	0	0	114	P524 S526 P528	P524-N575 PolarHBondContact O-ND2 2.8Å; S526-N575 WeakPolarHBondContact O-CB 3.27Å; S526-N575 PolarHBondContact O-N 2.88Å; P528-N575 WeakPolarHBondContact O-CA 3.43Å; P528-N575 PolarHBondContact O-N 3.02Å
576	Q	89.5	Confident	90.5	Very high	112 Å²	112	55.6 Å²	55.6	52%	0.523	30%	0.298	S	S	.	.	S	Bend	trans	-99.7	-11.7	-175.8	-49.4	-169.8	22.3	0	0	114.2	P524 N525 D574	P524-Q576 PolarHBondContact O-NE2 3.35Å; N525-Q576 PolarHBondContact OD1-NE2 2.9Å; D574-Q576 VanDerWaalsContact C-N 3.35Å; D574-Q576 PolarHBondContact OD1-N 3.35Å; D574-Q576 WeakPolarHBondContact OD2-CA 3.11Å; D574-Q576 VanDerWaalsContact OD2-CB 3.22Å; D574-Q576 WeakPolarHBondContact OD2-CB 3.35Å; D574-Q576 WeakPolarHBondContact OD2-CG 3.44Å; D574-Q576 PolarHBondContact OD2-N 2.98Å
577	G	87.7	Confident	90.8	Very high	51 Å²	51	55.4 Å²	55.4	53%	0.526	30%	0.296	S	S	.	.	S	Bend	trans	98	6.7	-179.3	0	0	0	0	0	115.1	D574	D574-G577 WeakPolarHBondContact OD1-CA 3.44Å; D574-G577 PolarHBondContact OD1-N 3.05Å
578	F	91.6	Very high	90.8	Very high	89 Å²	89	51.2 Å²	51.2	39%	0.39	28%	0.276	S	S	.	.			trans	-67.1	149.4	163.8	-167.9	-121.6	0	0	0	110.8	N493 N495 C496 S573 D574	N493-F578 WeakPolarHBondContact OD1-CB 3.29Å; N493-F578 WeakPolarHBondContact OD1-CD1 3.44Å; N493-F578 WeakPolarHBondContact OD1-CG 3.36Å; N495-F578 WeakPolarHBondContact O-CD1 3.22Å; N495-F578 WeakPolarHBondContact O-CE1 3.31Å; C496-F578 HydrophobicContact CB-CD1 3.98Å; C496-F578 HydrophobicContact CB-CE1 3.89Å; S573-F578 CarbonylContact C-O 3.48Å; S573-F578 WeakPolarHBondContact CA-O 3.01Å; S573-F578 WeakPolarHBondContact CB-O 3.37Å; D574-F578 PolarHBondContact N-O 2.66Å; D574-F578 WeakPolarHBondContact OD1-CA 3.38Å; D574-F578 PolarHBondContact OD1-N 3.3Å
579	S	91.6	Very high	90.7	Very high	40 Å²	40	53.2 Å²	53.2	28%	0.28	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-158.1	147.7	-177.1	49.3	0	0	0	0	110.2	I572	I572-S579 WeakPolarHBondContact O-CB 3.04Å
580	C	92.1	Very high	90.5	Very high	19 Å²	19	52.4 Å²	52.4	13%	0.128	29%	0.285	C	S	.	.			trans	-58.8	138.8	-170.8	-58.9	0	0	0	0	113.1	C496 P497 E582 Q584	C496-C580 HydrophobicContact CB-CB 4.09Å; C496-C580 WeakPolarHBondContact CB-SG 3.22Å; C496-C580 WeakPolarHBondContact SG-CA 3.5Å; C496-C580 WeakPolarHBondContact SG-CB 3.36Å; C496-C580 CovalentContact SG-SG 2.04Å; C496-C580 PolarHBondContact SG-SG 2.89Å; P497-C580 PolarHBondContact O-SG 3.39Å; C580-E582 PolarHBondContact O-N 3.47Å; C580-Q584 PolarHBondContact SG-NE2 2.95Å; C580-Q584 VanDerWaalsContact SG-NE2 3.38Å
581	P	89.9	Confident	90.1	Very high	127 Å²	127	52.9 Å²	52.9	83%	0.825	29%	0.289	S	S	*	.	S	Bend	trans	-68.8	-24.2	174.1	29.1	-35.1	0	0	0	112
582	E	89.6	Confident	89.6	Confident	158 Å²	158	53.6 Å²	53.6	74%	0.738	29%	0.29	S	S	*	.	S	Bend	trans	-84.3	147.7	170.8	-58.7	-152.8	165.8	0	0	111.6	C580 Q584	C580-E582 PolarHBondContact O-N 3.47Å; E582-Q584 PolarHBondContact O-N 3.42Å
583	K	88.6	Confident	89	Confident	151 Å²	151	54.6 Å²	54.6	66%	0.657	30%	0.297	S	S	*	.			trans	-79.8	112	-178.1	-62.7	174.5	-171.8	166.3	0	109.7	M585	K583-M585 HydrophobicContact CB-CG 4.24Å; K583-M585 WeakPolarHBondContact O-CG 3.49Å; K583-M585 PolarHBondContact O-N 2.86Å
584	Q	91.9	Very high	88.1	Confident	28 Å²	28	58.7 Å²	58.7	13%	0.131	32%	0.317	C	S	.	.			trans	-60.9	119.3	167.8	-61.6	-56.9	-25.4	0	0	109.4	L499 F570 I572 C580 E582	L499-Q584 HydrophobicContact CD1-CB 4.12Å; L499-Q584 HydrophobicContact CG-CB 4.28Å; F570-Q584 HydrophobicContact CB-CB 3.93Å; F570-Q584 PolarHBondContact N-O 2.9Å; I572-Q584 HydrophobicContact CD1-CB 4.29Å; I572-Q584 HydrophobicContact CD1-CG 4.1Å; I572-Q584 HydrophobicContact CG1-CB 4.42Å; I572-Q584 HydrophobicContact CG1-CG 4.29Å; C580-Q584 PolarHBondContact SG-NE2 2.95Å; C580-Q584 VanDerWaalsContact SG-NE2 3.38Å; E582-Q584 PolarHBondContact O-N 3.42Å
585	M	90.3	Very high	86.6	Confident	66 Å²	66	68 Å²	68	33%	0.325	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	105.2	-172.6	-74.3	-64.7	-47.9	0	0	109.6	E567 Q569 K583 T587	E567-M585 HydrophobicContact CB-CE 4Å; Q569-M585 HydrophobicContact CB-CE 4.35Å; Q569-M585 HydrophobicContact CB-SD 3.52Å; Q569-M585 VanDerWaalsContact CB-SD 3.52Å; Q569-M585 HydrophobicContact CG-SD 3.7Å; K583-M585 HydrophobicContact CB-CG 4.24Å; K583-M585 WeakPolarHBondContact O-CG 3.49Å; K583-M585 PolarHBondContact O-N 2.86Å; M585-T587 PolarHBondContact O-N 3.18Å
586	L	91.7	Very high	85.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.6	175.1	178.8	63.8	0	0	0	110.2	L499 E501 Q504 V515 L556 E567 I568 F570 L588	L499-L586 HydrophobicContact CD1-CB 4.15Å; E501-L586 VanDerWaalsContact O-CD1 3.31Å; E501-L586 WeakPolarHBondContact O-CD1 3.45Å; Q504-L586 HydrophobicContact CB-CD1 4.32Å; Q504-L586 HydrophobicContact CG-CD1 4.22Å; V515-L586 HydrophobicContact CB-CD2 4.43Å; V515-L586 HydrophobicContact CG1-CD2 4.08Å; V515-L586 HydrophobicContact CG2-CD2 3.44Å; V515-L586 VanDerWaalsContact CG2-CD2 3.44Å; L556-L586 HydrophobicContact CD1-CD2 4.2Å; E567-L586 WeakPolarHBondContact CA-O 3.45Å; I568-L586 HydrophobicContact CB-CB 4.42Å; I568-L586 HydrophobicContact CD1-CD2 4.43Å; I568-L586 PolarHBondContact N-O 3.26Å; I568-L586 PolarHBondContact O-N 2.91Å; F570-L586 HydrophobicContact CD2-CB 4.23Å; F570-L586 HydrophobicContact CE2-CB 4.03Å; F570-L586 HydrophobicContact CE2-CD2 4.24Å; L586-L588 HydrophobicContact CG-CB 4.32Å
587	T	91	Very high	84	Confident	18 Å²	18	67.4 Å²	67.4	11%	0.11	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	103.4	169.1	-60.7	0	0	0	0	109	P502 V503 Q504 R565 M585	P502-T587 PolarHBondContact O-N 3.33Å; V503-T587 WeakPolarHBondContact CA-O 3.46Å; V503-T587 HydrophobicContact CG1-CG2 4.28Å; Q504-T587 PolarHBondContact N-O 2.83Å; R565-T587 HydrophobicContact CG-CG2 4.11Å; M585-T587 PolarHBondContact O-N 3.18Å
588	L	89.6	Confident	83.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.4	-176.1	-177.7	59.2	0	0	0	111.3	Q504 I506 V513 W544 R565 S566 I568 L586	Q504-L588 HydrophobicContact CB-CD1 3.89Å; Q504-L588 WeakPolarHBondContact O-CA 3.28Å; I506-L588 HydrophobicContact CD1-CD1 4.09Å; I506-L588 HydrophobicContact CD1-CD2 4.31Å; I506-L588 HydrophobicContact CD1-CG 4.42Å; I506-L588 HydrophobicContact CG1-CD1 3.99Å; I506-L588 HydrophobicContact CG2-CD1 3.96Å; V513-L588 HydrophobicContact CB-CD2 4.38Å; V513-L588 HydrophobicContact CG1-CD2 3.75Å; V513-L588 HydrophobicContact CG2-CD1 4.07Å; V513-L588 HydrophobicContact CG2-CD2 4.48Å; W544-L588 HydrophobicContact CE3-CD2 4.43Å; W544-L588 HydrophobicContact CH2-CD2 3.31Å; W544-L588 HydrophobicContact CH2-CG 4.31Å; W544-L588 HydrophobicContact CZ2-CD2 3.83Å; W544-L588 HydrophobicContact CZ3-CD2 3.65Å; R565-L588 WeakPolarHBondContact CA-O 3.04Å; S566-L588 PolarHBondContact N-O 3.31Å; S566-L588 PolarHBondContact O-N 3.35Å; I568-L588 HydrophobicContact CD1-CB 4.46Å; I568-L588 HydrophobicContact CD1-CD2 4.14Å; L586-L588 HydrophobicContact CG-CB 4.32Å
589	T	87.5	Confident	82.4	Confident	41 Å²	41	65.1 Å²	65.1	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.9	179.6	-58.4	0	0	0	0	111.3	Q504 T505 I506	Q504-T589 PolarHBondContact O-N 2.92Å; T505-T589 CarbonylContact C-O 3.56Å; T505-T589 WeakPolarHBondContact CA-O 3.47Å; T505-T589 HydrophobicContact CG2-CG2 4.28Å; T505-T589 WeakPolarHBondContact CG2-O 3.39Å; I506-T589 PolarHBondContact N-O 3.34Å
590	V	86.6	Confident	81.3	Confident	11 Å²	11	71.3 Å²	71.3	7%	0.067	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.9	176.2	-170	0	0	0	0	109.4	I506 W544 G564	I506-V590 HydrophobicContact CD1-CG2 4.14Å; I506-V590 HydrophobicContact CG1-CB 4.46Å; I506-V590 HydrophobicContact CG1-CG1 4.47Å; I506-V590 HydrophobicContact CG1-CG2 4.04Å; I506-V590 WeakPolarHBondContact O-CA 3.46Å; W544-V590 HydrophobicContact CH2-CG2 4.33Å; G564-V590 PolarHBondContact N-O 3.21Å; G564-V590 PolarHBondContact O-N 2.97Å
591	C	83.3	Confident	79.7	Confident	13 Å²	13	78.7 Å²	78.7	9%	0.088	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	164.1	-171.7	74.8	0	0	0	0	113.2	I506 N508 L563 C593 C599	I506-C591 PolarHBondContact O-N 2.83Å; I506-C591 PolarHBondContact O-SG 3.27Å; I506-C591 VanDerWaalsContact O-SG 3.4Å; N508-C591 VanDerWaalsContact CB-O 3.31Å; N508-C591 WeakPolarHBondContact CB-O 3.13Å; N508-C591 PolarHBondContact N-O 2.68Å; N508-C591 PolarHBondContact OD1-O 3.47Å; L563-C591 WeakPolarHBondContact CD2-O 3.27Å; C591-C593 PolarHBondContact SG-SG 2.92Å; C591-C599 HydrophobicContact CB-CB 3.55Å; C591-C599 WeakPolarHBondContact CB-SG 3.26Å; C591-C599 WeakPolarHBondContact SG-CA 3.46Å; C591-C599 WeakPolarHBondContact SG-CB 3.48Å; C591-C599 CovalentContact SG-SG 2.02Å; C591-C599 PolarHBondContact SG-SG 3.27Å
592	E	81.6	Confident	77.6	Confident	96 Å²	96	77.3 Å²	77.3	45%	0.449	43%	0.429	S	S	.	.			trans	-83.3	120.2	166.1	-177.5	178.9	-122.9	0	0	108.3	L563 R600	L563-E592 HydrophobicContact CD2-CB 4.43Å; E592-R600 WeakPolarHBondContact O-CB 3.38Å; E592-R600 PolarHBondContact O-N 3.43Å; E592-R600 IonicContact OE2-NH1 2.68Å
593	C	79.4	Confident	75.3	Confident	24 Å²	24	78.5 Å²	78.5	16%	0.162	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-104.2	144.8	177.3	-72.4	0	0	0	0	112.1	C507 C591 G598	C507-C593 WeakPolarHBondContact CA-SG 3.11Å; C507-C593 HydrophobicContact CB-CB 3.58Å; C507-C593 WeakPolarHBondContact CB-SG 3.31Å; C507-C593 WeakPolarHBondContact SG-CB 3.23Å; C507-C593 CovalentContact SG-SG 2.03Å; C507-C593 PolarHBondContact SG-SG 3.27Å; C591-C593 PolarHBondContact SG-SG 2.92Å; C593-G598 WeakPolarHBondContact CA-O 3.47Å; C593-G598 VanDerWaalsContact SG-C 3.56Å
594	L	73.4	Confident	73	Confident	112 Å²	112	82.3 Å²	82.3	59%	0.586	45%	0.445	S	S	*	.			trans	-98.6	146.7	162.9	-77	162.1	0	0	0	108.9	G596 S597	L594-G596 PolarHBondContact O-N 3.44Å; L594-S597 WeakPolarHBondContact CB-OG 3.47Å; L594-S597 PolarHBondContact O-N 3.01Å
595	H	61.5	Low	70.7	Confident	198 Å²	198	89 Å²	89	92%	0.917	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	109.1	-167.9	-151.7	60.6	0	0	0	111.1
596	G	62.8	Low	68.3	Low	90 Å²	90	90.7 Å²	90.7	93%	0.928	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	6.4	-178	0	0	0	0	0	116.9	L594	L594-G596 PolarHBondContact O-N 3.44Å
597	S	63	Low	66.1	Low	84 Å²	84	101.7 Å²	101.7	59%	0.587	54%	0.543	S	S	*	.	S	Bend	trans	-123.5	12.8	-178.2	82.2	0	0	0	0	115.6	L594	L594-S597 WeakPolarHBondContact CB-OG 3.47Å; L594-S597 PolarHBondContact O-N 3.01Å
598	G	71.9	Confident	64.2	Low	38 Å²	38	107.1 Å²	107.1	39%	0.392	58%	0.576	S	S	.	*			trans	62.4	-158.1	179.1	0	0	0	0	0	114.3	C593	C593-G598 WeakPolarHBondContact CA-O 3.47Å; C593-G598 VanDerWaalsContact SG-C 3.56Å
599	C	72.7	Confident	62.5	Low	54 Å²	54	110.2 Å²	110.2	37%	0.365	61%	0.608	S	S	.	*	B	Isolated β-bridge	trans	-73.2	137.5	-171.7	-66.3	0	0	0	0	114.7	T505 C591 E601	T505-C599 WeakPolarHBondContact CG2-SG 3.4Å; C591-C599 HydrophobicContact CB-CB 3.55Å; C591-C599 WeakPolarHBondContact CB-SG 3.26Å; C591-C599 WeakPolarHBondContact SG-CA 3.46Å; C591-C599 WeakPolarHBondContact SG-CB 3.48Å; C591-C599 CovalentContact SG-SG 2.02Å; C591-C599 PolarHBondContact SG-SG 3.27Å; C599-E601 PolarHBondContact O-N 3.08Å
600	R	68	Low	61.3	Low	169 Å²	169	114 Å²	114	64%	0.638	63%	0.626	S	S	*	*			trans	-85.8	103.6	169.8	-168	-179.6	-171.8	-166.5	4.1	111.4	E592 A602	E592-R600 WeakPolarHBondContact O-CB 3.38Å; E592-R600 PolarHBondContact O-N 3.43Å; E592-R600 IonicContact OE2-NH1 2.68Å; R600-A602 PolarHBondContact O-N 3.17Å
601	E	58.7	Low	60.4	Low	175 Å²	175	115.1 Å²	115.1	82%	0.818	64%	0.64	S	S	*	*			trans	-64.4	130.7	171.2	-74.8	-158.3	129.8	0	0	111.9	C599 Q603	C599-E601 PolarHBondContact O-N 3.08Å; E601-Q603 PolarHBondContact O-N 3.35Å; E601-Q603 VanDerWaalsContact O-N 3.15Å
602	A	47	Very low	59.7	Low	97 Å²	97	120 Å²	120	80%	0.802	67%	0.671	S	S	*	*			trans	-82.3	87.5	172	0	0	0	0	0	110.2	R600 R604	R600-A602 PolarHBondContact O-N 3.17Å; A602-R604 PolarHBondContact O-N 2.77Å
603	Q	41.4	Very low	58.9	Low	184 Å²	184	118.8 Å²	118.8	86%	0.86	68%	0.678	S	S	*	*			trans	-53.5	113.6	172.1	-74	-175.9	-23.7	0	0	110.6	E601	E601-Q603 PolarHBondContact O-N 3.35Å; E601-Q603 VanDerWaalsContact O-N 3.15Å
604	R	39.8	Very low	58.2	Low	231 Å²	231	119.4 Å²	119.4	87%	0.872	69%	0.685	S	S	*	*			trans	-79.2	131.5	158.6	-74.8	-178.6	172.9	168.5	-0.7	107.7	A602 S606	A602-R604 PolarHBondContact O-N 2.77Å; R604-S606 PolarHBondContact O-N 3.48Å
605	D	42.8	Very low	58.3	Low	167 Å²	167	118.1 Å²	118.1	89%	0.893	68%	0.678	S	S	*	*			trans	-57.4	94.1	174.6	-73	-60.5	0	0	0	111.8	Y607	D605-Y607 PolarHBondContact O-N 3.26Å; D605-Y607 VanDerWaalsContact O-N 3.17Å
606	S	39.8	Very low	58.7	Low	103 Å²	103	111.3 Å²	111.3	72%	0.72	66%	0.656	S	S	*	*			trans	-83.3	86.1	170.2	40.3	0	0	0	0	109	R604 V608	R604-S606 PolarHBondContact O-N 3.48Å; S606-V608 WeakPolarHBondContact O-CG2 3.45Å; S606-V608 PolarHBondContact O-N 3.08Å
607	Y	46.2	Very low	59.3	Low	230 Å²	230	112.5 Å²	112.5	90%	0.902	64%	0.64	S	S	*	*			trans	-50.1	107.7	176.5	-143	-96.7	0	0	0	110.4	D605 G609	D605-Y607 PolarHBondContact O-N 3.26Å; D605-Y607 VanDerWaalsContact O-N 3.17Å; Y607-G609 PolarHBondContact O-N 2.89Å
608	V	51.7	Low	60.1	Low	132 Å²	132	114.2 Å²	114.2	80%	0.8	64%	0.64	S	S	*	*			trans	-76.2	75.9	-171.6	-172.6	0	0	0	0	110.8	S606 L610	S606-V608 WeakPolarHBondContact O-CG2 3.45Å; S606-V608 PolarHBondContact O-N 3.08Å; V608-L610 PolarHBondContact O-N 3.49Å; V608-L610 VanDerWaalsContact O-N 3.14Å
609	G	54.6	Low	60.5	Low	66 Å²	66	116.9 Å²	116.9	68%	0.68	65%	0.645	S	S	*	*			trans	-71.4	98.9	169.4	0	0	0	0	0	110.5	Y607 G611	Y607-G609 PolarHBondContact O-N 2.89Å; G609-G611 PolarHBondContact O-N 2.97Å
610	L	62.1	Low	60.7	Low	119 Å²	119	118.7 Å²	118.7	62%	0.623	65%	0.65	S	S	*	*			trans	-57.6	103.8	170.3	-83.7	163	0	0	0	109.8	V608 A614 I615	V608-L610 PolarHBondContact O-N 3.49Å; V608-L610 VanDerWaalsContact O-N 3.14Å; L610-A614 HydrophobicContact CD2-CB 3.81Å; L610-I615 HydrophobicContact CB-CG1 4.21Å; L610-I615 WeakPolarHBondContact O-CD1 3.27Å
611	G	67.6	Low	61.1	Low	35 Å²	35	113.2 Å²	113.2	36%	0.361	64%	0.641	S	S	.	*			trans	-62	156.8	-177.9	0	0	0	0	0	112.4	G609 A613 A614 I615	G609-G611 PolarHBondContact O-N 2.97Å; G611-A613 PolarHBondContact O-N 2.94Å; G611-A614 WeakPolarHBondContact O-CB 3.24Å; G611-A614 PolarHBondContact O-N 2.82Å; G611-I615 PolarHBondContact O-N 3.24Å
612	P	68.3	Low	62	Low	115 Å²	115	111.7 Å²	111.7	75%	0.747	63%	0.632	S	S	*	*	H	α-helix	trans	-53.7	-32.1	-176.3	-28.3	35.5	0	0	0	114.3	A616	P612-A616 VanDerWaalsContact O-CB 3.25Å; P612-A616 WeakPolarHBondContact O-CB 3.36Å; P612-A616 PolarHBondContact O-N 3.01Å
613	A	63.7	Low	63.5	Low	72 Å²	72	112.1 Å²	112.1	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-66	-38.1	175	0	0	0	0	0	113.3	G611 A616 L617	G611-A613 PolarHBondContact O-N 2.94Å; A613-A616 PolarHBondContact O-N 3.23Å; A613-L617 WeakPolarHBondContact O-CB 3.48Å; A613-L617 VanDerWaalsContact O-CG 3.31Å; A613-L617 WeakPolarHBondContact O-CG 3.38Å; A613-L617 PolarHBondContact O-N 3.08Å
614	A	66.2	Low	65.1	Low	36 Å²	36	108 Å²	108	30%	0.298	60%	0.604	S	S	.	*	H	α-helix	trans	-69.9	-41	176.8	0	0	0	0	0	111.2	L610 G611 L617 M618	L610-A614 HydrophobicContact CD2-CB 3.81Å; G611-A614 WeakPolarHBondContact O-CB 3.24Å; G611-A614 PolarHBondContact O-N 2.82Å; A614-L617 PolarHBondContact O-N 2.73Å; A614-M618 VanDerWaalsContact O-CG 3.32Å; A614-M618 WeakPolarHBondContact O-CG 3.25Å; A614-M618 PolarHBondContact O-N 3.43Å
615	I	75.3	Confident	66.7	Low	86 Å²	86	103.3 Å²	103.3	44%	0.441	60%	0.595	S	S	.	*	H	α-helix	trans	-63	-43.4	173.4	-57.2	176.7	0	0	0	110.1	L610 G611 L617 M618 I619	L610-I615 HydrophobicContact CB-CG1 4.21Å; L610-I615 WeakPolarHBondContact O-CD1 3.27Å; G611-I615 PolarHBondContact O-N 3.24Å; I615-L617 PolarHBondContact O-N 3.27Å; I615-M618 PolarHBondContact O-N 2.68Å; I615-I619 HydrophobicContact CG2-CD1 3.93Å; I615-I619 VanDerWaalsContact O-CG1 3.32Å; I615-I619 WeakPolarHBondContact O-CG1 3.39Å; I615-I619 PolarHBondContact O-N 2.58Å
616	A	70	Confident	68.2	Low	55 Å²	55	101 Å²	101	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-39.7	176.2	0	0	0	0	0	112.8	P612 A613 I619 L620	P612-A616 VanDerWaalsContact O-CB 3.25Å; P612-A616 WeakPolarHBondContact O-CB 3.36Å; P612-A616 PolarHBondContact O-N 3.01Å; A613-A616 PolarHBondContact O-N 3.23Å; A616-I619 PolarHBondContact O-N 3.48Å; A616-L620 VanDerWaalsContact O-CB 3.27Å; A616-L620 WeakPolarHBondContact O-CB 3.41Å; A616-L620 PolarHBondContact O-N 3.05Å
617	L	75.5	Confident	69.7	Low	115 Å²	115	100.2 Å²	100.2	60%	0.602	57%	0.57	S	S	*	*	H	α-helix	trans	-66.7	-39.9	174.8	-75.9	168.9	0	0	0	112.3	A613 A614 I615 L620 A621	A613-L617 WeakPolarHBondContact O-CB 3.48Å; A613-L617 VanDerWaalsContact O-CG 3.31Å; A613-L617 WeakPolarHBondContact O-CG 3.38Å; A613-L617 PolarHBondContact O-N 3.08Å; A614-L617 PolarHBondContact O-N 2.73Å; I615-L617 PolarHBondContact O-N 3.27Å; L617-L620 HydrophobicContact CD2-CD2 4.41Å; L617-L620 PolarHBondContact O-N 3Å; L617-A621 WeakPolarHBondContact O-CB 3.46Å; L617-A621 PolarHBondContact O-N 3.3Å
618	M	79	Confident	70.7	Confident	119 Å²	119	93.5 Å²	93.5	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-62.9	-42.5	173.4	-71.1	-69.4	-74.7	0	0	111.7	A614 I615 A621 F622	A614-M618 VanDerWaalsContact O-CG 3.32Å; A614-M618 WeakPolarHBondContact O-CG 3.25Å; A614-M618 PolarHBondContact O-N 3.43Å; I615-M618 PolarHBondContact O-N 2.68Å; M618-A621 PolarHBondContact O-N 3.2Å; M618-F622 WeakPolarHBondContact O-CD2 3.46Å; M618-F622 PolarHBondContact O-N 3.23Å
619	I	80	Confident	71.4	Confident	95 Å²	95	90.6 Å²	90.6	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-41.8	175.4	-68.8	167.2	0	0	0	110.9	I615 A616 F622 L623	I615-I619 HydrophobicContact CG2-CD1 3.93Å; I615-I619 VanDerWaalsContact O-CG1 3.32Å; I615-I619 WeakPolarHBondContact O-CG1 3.39Å; I615-I619 PolarHBondContact O-N 2.58Å; A616-I619 PolarHBondContact O-N 3.48Å; I619-F622 PolarHBondContact O-N 3.19Å; I619-L623 HydrophobicContact CG2-CD1 3.86Å; I619-L623 HydrophobicContact CG2-CG 4.39Å; I619-L623 WeakPolarHBondContact O-CB 3.46Å; I619-L623 VanDerWaalsContact O-CG 3.31Å; I619-L623 WeakPolarHBondContact O-CG 3.19Å; I619-L623 PolarHBondContact O-N 3.24Å
620	L	77.3	Confident	71.9	Confident	92 Å²	92	92.9 Å²	92.9	48%	0.482	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-42.3	176.3	-176.1	69.4	0	0	0	111.7	A616 L617 L623 L624	A616-L620 VanDerWaalsContact O-CB 3.27Å; A616-L620 WeakPolarHBondContact O-CB 3.41Å; A616-L620 PolarHBondContact O-N 3.05Å; L617-L620 HydrophobicContact CD2-CD2 4.41Å; L617-L620 PolarHBondContact O-N 3Å; L620-L623 PolarHBondContact O-N 3.35Å; L620-L624 HydrophobicContact CG-CD1 4.12Å; L620-L624 WeakPolarHBondContact O-CB 3.45Å; L620-L624 WeakPolarHBondContact O-CG 3.26Å; L620-L624 PolarHBondContact O-N 3.07Å
621	A	75.8	Confident	71.9	Confident	54 Å²	54	92.5 Å²	92.5	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-47.1	175.8	0	0	0	0	0	111.6	L617 M618 L623 L624 L625	L617-A621 WeakPolarHBondContact O-CB 3.46Å; L617-A621 PolarHBondContact O-N 3.3Å; M618-A621 PolarHBondContact O-N 3.2Å; A621-L623 PolarHBondContact O-N 3.06Å; A621-L624 PolarHBondContact O-N 3.15Å; A621-L625 WeakPolarHBondContact O-CB 3.45Å; A621-L625 PolarHBondContact O-N 3.45Å
622	F	78.9	Confident	71.5	Confident	142 Å²	142	97.6 Å²	97.6	62%	0.623	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-37.6	175.1	-93.5	-77.4	0	0	0	113	M618 I619 L625 L626	M618-F622 WeakPolarHBondContact O-CD2 3.46Å; M618-F622 PolarHBondContact O-N 3.23Å; I619-F622 PolarHBondContact O-N 3.19Å; F622-L625 PolarHBondContact O-N 3.42Å; F622-L626 WeakPolarHBondContact O-CB 3.25Å; F622-L626 PolarHBondContact O-N 3.21Å
623	L	78.8	Confident	71.1	Confident	106 Å²	106	98.7 Å²	98.7	56%	0.555	55%	0.547	S	S	*	.	H	α-helix	trans	-66.2	-42.4	175.3	-76.6	169.4	0	0	0	112.3	I619 L620 A621 L626 L627	I619-L623 HydrophobicContact CG2-CD1 3.86Å; I619-L623 HydrophobicContact CG2-CG 4.39Å; I619-L623 WeakPolarHBondContact O-CB 3.46Å; I619-L623 VanDerWaalsContact O-CG 3.31Å; I619-L623 WeakPolarHBondContact O-CG 3.19Å; I619-L623 PolarHBondContact O-N 3.24Å; L620-L623 PolarHBondContact O-N 3.35Å; A621-L623 PolarHBondContact O-N 3.06Å; L623-L626 PolarHBondContact O-N 3.29Å; L623-L627 WeakPolarHBondContact O-CB 3.19Å; L623-L627 PolarHBondContact O-N 2.72Å
624	L	73	Confident	70.9	Confident	99 Å²	99	102.7 Å²	102.7	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-63.8	-41.4	175.1	-76.1	166.3	0	0	0	111.7	L620 A621 L626 L627 V628	L620-L624 HydrophobicContact CG-CD1 4.12Å; L620-L624 WeakPolarHBondContact O-CB 3.45Å; L620-L624 WeakPolarHBondContact O-CG 3.26Å; L620-L624 PolarHBondContact O-N 3.07Å; A621-L624 PolarHBondContact O-N 3.15Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.06Å; L624-L627 WeakPolarHBondContact O-CB 3.48Å; L624-L627 PolarHBondContact O-N 2.88Å; L624-L627 VanDerWaalsContact O-N 3.1Å; L624-V628 PolarHBondContact O-N 2.81Å
625	L	74.7	Confident	70.1	Confident	131 Å²	131	106.4 Å²	106.4	69%	0.686	58%	0.578	S	S	*	*	H	α-helix	trans	-69.4	-28.7	179.6	-154.8	147.5	0	0	0	112.1	A621 F622 P629	A621-L625 WeakPolarHBondContact O-CB 3.45Å; A621-L625 PolarHBondContact O-N 3.45Å; F622-L625 PolarHBondContact O-N 3.42Å; L625-P629 WeakPolarHBondContact O-CD 3.46Å
626	L	74	Confident	68.9	Low	119 Å²	119	110.8 Å²	110.8	62%	0.623	60%	0.596	S	S	*	*	H	α-helix	trans	-77.9	-23.7	168.4	-94.5	160.3	0	0	0	114.2	F622 L623 L624	F622-L626 WeakPolarHBondContact O-CB 3.25Å; F622-L626 PolarHBondContact O-N 3.21Å; L623-L626 PolarHBondContact O-N 3.29Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.06Å
627	L	71.6	Confident	67.8	Low	86 Å²	86	114.7 Å²	114.7	45%	0.45	62%	0.619	S	S	.	*	H	α-helix	trans	-70.9	-37.7	-178.8	-160.6	78.2	0	0	0	112.3	L623 L624 L630 L631	L623-L627 WeakPolarHBondContact O-CB 3.19Å; L623-L627 PolarHBondContact O-N 2.72Å; L624-L627 WeakPolarHBondContact O-CB 3.48Å; L624-L627 PolarHBondContact O-N 2.88Å; L624-L627 VanDerWaalsContact O-N 3.1Å; L627-L630 PolarHBondContact O-N 3.24Å; L627-L631 HydrophobicContact CD2-CD1 4Å; L627-L631 HydrophobicContact CG-CD1 3.9Å; L627-L631 HydrophobicContact CG-CG 4.38Å; L627-L631 WeakPolarHBondContact O-CG 3.41Å; L627-L631 PolarHBondContact O-N 2.91Å
628	V	66.1	Low	66	Low	90 Å²	90	112.6 Å²	112.6	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-63.6	-48.6	-175.4	176.1	0	0	0	0	112.7	L624 L630 L631 L632	L624-V628 PolarHBondContact O-N 2.81Å; V628-L630 VanDerWaalsContact C-N 3.29Å; V628-L630 PolarHBondContact O-N 3.12Å; V628-L631 PolarHBondContact O-N 3.22Å; V628-L632 HydrophobicContact CG1-CD1 4.28Å; V628-L632 WeakPolarHBondContact O-CG 3.37Å; V628-L632 PolarHBondContact O-N 2.98Å
629	P	67.4	Low	64.3	Low	70 Å²	70	117.4 Å²	117.4	46%	0.455	64%	0.643	S	S	.	*	H	α-helix	trans	-61.8	-35.4	172.8	-23.2	34.2	0	0	0	113.3	L625 L632 L633	L625-P629 WeakPolarHBondContact O-CD 3.46Å; P629-L632 PolarHBondContact O-N 3.07Å; P629-L633 PolarHBondContact O-N 3.1Å
630	L	65.7	Low	63	Low	115 Å²	115	116.7 Å²	116.7	60%	0.602	66%	0.659	S	S	*	*	H	α-helix	trans	-68.7	-38.7	-178.1	-152.1	87.5	0	0	0	112.2	L627 V628 L633	L627-L630 PolarHBondContact O-N 3.24Å; V628-L630 VanDerWaalsContact C-N 3.29Å; V628-L630 PolarHBondContact O-N 3.12Å; L630-L633 PolarHBondContact O-N 2.73Å
631	L	61.1	Low	61.3	Low	110 Å²	110	115.9 Å²	115.9	58%	0.576	67%	0.672	S	S	*	*	H	α-helix	trans	-67.3	-38.7	175.2	-77	165.5	0	0	0	112.1	L627 V628 L633 M634	L627-L631 HydrophobicContact CD2-CD1 4Å; L627-L631 HydrophobicContact CG-CD1 3.9Å; L627-L631 HydrophobicContact CG-CG 4.38Å; L627-L631 WeakPolarHBondContact O-CG 3.41Å; L627-L631 PolarHBondContact O-N 2.91Å; V628-L631 PolarHBondContact O-N 3.22Å; L631-L633 VanDerWaalsContact C-N 3.28Å; L631-L633 PolarHBondContact O-N 2.85Å; L631-M634 PolarHBondContact O-N 2.76Å
632	L	59.8	Low	59.6	Low	142 Å²	142	123.6 Å²	123.6	74%	0.743	70%	0.696	S	S	*	*	H	α-helix	trans	-68.6	-24.9	177.3	-69.9	170	0	0	0	113.2	V628 P629	V628-L632 HydrophobicContact CG1-CD1 4.28Å; V628-L632 WeakPolarHBondContact O-CG 3.37Å; V628-L632 PolarHBondContact O-N 2.98Å; P629-L632 PolarHBondContact O-N 3.07Å
633	L	59.9	Low	57.5	Low	139 Å²	139	120.4 Å²	120.4	73%	0.728	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.9	178.3	-86.9	161.8	0	0	0	114.8	P629 L630 L631	P629-L633 PolarHBondContact O-N 3.1Å; L630-L633 PolarHBondContact O-N 2.73Å; L631-L633 VanDerWaalsContact C-N 3.28Å; L631-L633 PolarHBondContact O-N 2.85Å
634	M	59.8	Low	55.1	Low	156 Å²	156	125.3 Å²	125.3	77%	0.768	72%	0.72	S	S	*	*	S	Bend	trans	-103.5	-4.3	-170.2	-75.8	-64.3	-63	0	0	115.8	L631	L631-M634 PolarHBondContact O-N 2.76Å
635	C	48.6	Very low	53.5	Low	114 Å²	114	126.6 Å²	126.6	77%	0.77	73%	0.733	S	S	*	*			trans	-106.1	93.4	-179.3	-83.9	0	0	0	0	113.1
636	H	50.7	Low	51.5	Low	177 Å²	177	125.8 Å²	125.8	82%	0.819	74%	0.735	S	S	*	*			trans	-101.5	146.1	161.1	-92.7	64.2	0	0	0	110.7
637	C	46.2	Very low	49.5	Very low	137 Å²	137	127.1 Å²	127.1	93%	0.926	74%	0.741	S	S	*	*			trans	68.8	142.4	-178.4	-59.5	0	0	0	0	115.7
638	G	38.2	Very low	48.3	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	75%	0.75	S	S	*	*			cis	-177.4	-160.4	-0.7	0	0	0	0	0	113.7
639	K	42.2	Very low	46.8	Very low	220 Å²	220	125.9 Å²	125.9	96%	0.957	75%	0.749	S	S	*	*			trans	-56.9	143.2	174.1	-58.9	170.7	-179.7	175.1	0	110.3
640	G	52.7	Low	45.2	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	77%	0.765	S	S	*	*			cis	140.1	116.5	-1.7	0	0	0	0	0	111.2
641	G	41.9	Very low	43.7	Very low	75 Å²	75	129.8 Å²	129.8	77%	0.773	77%	0.771	S	S	*	*			trans	159.4	125.8	172.9	0	0	0	0	0	115.6
642	K	40.2	Very low	42.6	Very low	217 Å²	217	133.2 Å²	133.2	94%	0.943	78%	0.784	S	S	*	*			trans	62.9	111	161.7	-56.7	-176.6	179.8	-176.7	0	117.8
643	G	35.7	Very low	41.2	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	79%	0.785	S	S	*	*			trans	-119	150	153.7	0	0	0	0	0	110.4
644	F	26.9	Very low	39.7	Very low	209 Å²	209	134.9 Å²	134.9	92%	0.917	79%	0.79	S	S	*	*			trans	-124.9	151.4	162	-103.3	-83.7	0	0	0	107.7
645	T	39.9	Very low	38.4	Very low	126 Å²	126	135 Å²	135	77%	0.773	79%	0.789	S	S	*	*			trans	-84.7	158.4	-168.4	45.5	0	0	0	0	114.4
646	P	32.2	Very low	38.2	Very low	113 Å²	113	134.5 Å²	134.5	73%	0.734	78%	0.783	S	S	*	*			trans	-125.5	179.2	143.7	38	-27.9	0	0	0	113
647	I	33.7	Very low	37.2	Very low	148 Å²	148	136.9 Å²	136.9	76%	0.759	79%	0.785	S	S	*	*			trans	-143.7	161.7	-169.4	-55	165.6	0	0	0	106.2
648	P	45.4	Very low	36.3	Very low	98 Å²	98	135.5 Å²	135.5	64%	0.636	77%	0.769	S	S	*	*			cis	-120.2	-162.4	-32.6	36.4	-19	0	0	0	112.3	K706	P648-K706 PolarHBondContact O-N 3.44Å
649	G	33.8	Very low	35.7	Very low	51 Å²	51	138.6 Å²	138.6	53%	0.526	77%	0.768	S	S	.	*			trans	175.2	116	155.9	0	0	0	0	0	119
650	T	35.3	Very low	35.5	Very low	128 Å²	128	137.8 Å²	137.8	79%	0.785	77%	0.768	S	S	*	*			trans	48.6	122.9	135.5	56.6	0	0	0	0	123.7
651	I	34.2	Very low	34.9	Very low	140 Å²	140	138 Å²	138	72%	0.718	77%	0.771	S	S	*	*				39.8	121.8	113.7	-53.2	165.3	0	0	0	118.2
652	E	36.7	Very low	34.3	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	77%	0.772	S	S	*	*				-177.5	-177.8	95	-150.2	128.6	-109.8	0	0	113
653	M	30	Very low	34.8	Very low	156 Å²	156	134.6 Å²	134.6	77%	0.768	77%	0.765	S	S	*	*			trans	-108.6	158.1	-166.6	-67	151.8	46.4	0	0	114.9
654	L	28.9	Very low	35.7	Very low	160 Å²	160	135.6 Å²	135.6	84%	0.838	76%	0.758	S	S	*	*			trans	-173	101	142.6	-106	161	0	0	0	113.7
655	H	34.1	Very low	36.1	Very low	159 Å²	159	132 Å²	132	74%	0.736	74%	0.744	S	S	*	*			trans	31.9	164.4	141.5	-74.1	-77.5	0	0	0	123.9
656	P	44.2	Very low	36.2	Very low	102 Å²	102	132.4 Å²	132.4	66%	0.662	74%	0.741	S	S	*	*				-141.4	-159.1	-53.5	42.8	-23.2	0	0	0	112.8
657	W	27.9	Very low	36.1	Very low	228 Å²	228	135.3 Å²	135.3	86%	0.864	74%	0.743	S	S	*	*			trans	69.6	133.7	179.4	-83.3	27.3	0	0	0	115.2
658	N	28	Very low	36.3	Very low	107 Å²	107	133.9 Å²	133.9	57%	0.572	74%	0.74	S	S	*	*			cis	-152.5	159.9	-4.6	-123.8	3.6	0	0	0	112.1
659	N	26.2	Very low	36	Very low	137 Å²	137	134.8 Å²	134.8	73%	0.733	74%	0.744	S	S	*	*			trans	63.2	97.4	165.5	-58.3	12.3	0	0	0	117.8
660	E	37.4	Very low	36.3	Very low	203 Å²	203	138.2 Å²	138.2	95%	0.949	76%	0.757	S	S	*	*			trans	35.6	113.8	137.6	-57.1	-172.9	157	0	0	120.3
661	G	39.4	Very low	36.1	Very low	85 Å²	85	136.5 Å²	136.5	88%	0.876	75%	0.75	S	S	*	*			trans	118.2	80.7	152.3	0	0	0	0	0	116.6
662	A	30.1	Very low	35.8	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	76%	0.761	S	S	*	*			trans	-151	139.2	164.5	0	0	0	0	0	113.7
663	P	50.6	Low	35.3	Very low	122 Å²	122	138.9 Å²	138.9	79%	0.792	76%	0.759	S	S	*	*			trans	-93.4	-153.8	164.1	42.5	-36.6	0	0	0	109.2
664	P	54.1	Low	35.4	Very low	96 Å²	96	137.2 Å²	137.2	62%	0.623	76%	0.76	S	S	*	*			cis	-144	-166.1	-1.6	43.1	-21.8	0	0	0	117
665	E	35.6	Very low	35.3	Very low	135 Å²	135	135.7 Å²	135.7	63%	0.631	76%	0.757	S	S	*	*			trans	76.4	116	142.4	-82.2	166.3	-119.1	0	0	123.8	K667	E665-K667 IonicContact OE2-NZ 2.69Å; E665-K667 PolarHBondContact OE2-NZ 3.01Å
666	D	42.2	Very low	34.9	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	76%	0.755	S	S	*	*				36.7	142.4	105.4	-70.6	14.7	0	0	0	122.4
667	K	31.1	Very low	34.1	Very low	174 Å²	174	137.8 Å²	137.8	76%	0.757	76%	0.762	S	S	*	*				-165.1	173.8	112.1	-101.7	151.6	-162.1	103.3	0	116.5	E665	E665-K667 IonicContact OE2-NZ 2.69Å; E665-K667 PolarHBondContact OE2-NZ 3.01Å
668	V	36.6	Very low	34	Very low	118 Å²	118	130.1 Å²	130.1	72%	0.715	76%	0.755	S	S	*	*			trans	-121.8	148.1	-148.5	167.3	0	0	0	0	114.5
669	V	39	Very low	34	Very low	117 Å²	117	134.3 Å²	134.3	71%	0.709	77%	0.771	S	S	*	*			trans	0.1	138.1	152.5	-170.9	0	0	0	0	119.8
670	P	40.8	Very low	34	Very low	122 Å²	122	133.3 Å²	133.3	79%	0.792	78%	0.775	S	S	*	*				-133.6	128.9	119	26.8	-10.8	0	0	0	112.4
671	S	31.4	Very low	33.6	Very low	92 Å²	92	131.8 Å²	131.8	64%	0.643	77%	0.772	S	S	*	*				82.8	113.2	61.7	-66.1	0	0	0	0	115.2
672	F	27.9	Very low	33.1	Very low	219 Å²	219	131.5 Å²	131.5	96%	0.961	77%	0.769	S	S	*	*			trans	-162.5	151.2	150	-93.4	-61.1	0	0	0	112.6
673	L	26.9	Very low	32.9	Very low	154 Å²	154	130.7 Å²	130.7	81%	0.806	77%	0.77	S	S	*	*			trans	-114.4	146.1	171.1	-68.7	166.9	0	0	0	109.1
674	P	30.8	Very low	31.9	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	77%	0.772	S	S	*	*				-128	156.9	93.3	8.1	14.3	0	0	0	111.7
675	V	27.2	Very low	30.6	Very low	129 Å²	129	137.9 Å²	137.9	78%	0.782	78%	0.78	S	S	*	*			cis	82.3	105.4	45.9	-179.7	0	0	0	0	114.6
676	D	24.9	Very low	30.3	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	78%	0.784	S	S	*	*			trans	78.8	148.6	154.3	-157.9	33.8	0	0	0	121.2
677	Q	27.4	Very low	29.6	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.813	79%	0.793	S	S	*	*			trans	63.8	149.4	175.7	-68.2	158.5	46.5	0	0	117
678	G	26.4	Very low	29.5	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	79%	0.793	S	S	*	*			cis	167.4	140.4	-6.2	0	0	0	0	0	111.9
679	E	28	Very low	28.9	Very low	194 Å²	194	128.4 Å²	128.4	91%	0.907	79%	0.794	S	S	*	*			trans	39.7	120.4	161.3	-61.7	-165	136.1	0	0	122.7
680	S	27.1	Very low	28.2	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	80%	0.802	S	S	*	*				79.9	166.1	127.8	-152.9	0	0	0	0	121.9
681	L	27.1	Very low	27.4	Very low	171 Å²	171	130.6 Å²	130.6	90%	0.895	80%	0.795	S	S	*	*			trans	-83.9	151.8	-164.9	-74.4	64.2	0	0	0	114.4
682	G	29.2	Very low	27.1	Very low	79 Å²	79	133.2 Å²	133.2	81%	0.814	80%	0.795	S	S	*	*			trans	136.2	113	157.8	0	0	0	0	0	112.8
683	G	27.2	Very low	26.8	Very low	80 Å²	80	130 Å²	130	83%	0.825	78%	0.783	S	S	*	*			cis	89.1	107.9	7.6	0	0	0	0	0	112.9
684	R	29.3	Very low	26.7	Very low	222 Å²	222	126.5 Å²	126.5	84%	0.838	78%	0.776	S	S	*	*			trans	166.2	119.2	149.4	179.3	169.2	178.5	169.4	-3.6	114.9
685	N	26.4	Very low	26.3	Very low	146 Å²	146	126.5 Å²	126.5	78%	0.781	77%	0.774	S	S	*	*			trans	59.2	147.3	148.6	-58.2	6.7	0	0	0	123.2
686	G	29.2	Very low	26.3	Very low	70 Å²	70	128 Å²	128	72%	0.722	77%	0.774	S	S	*	*			trans	134	71.8	166.8	0	0	0	0	0	112.4
687	V	28.2	Very low	26.4	Very low	149 Å²	149	131.1 Å²	131.1	90%	0.903	78%	0.782	S	S	*	*				54.9	114.1	73.2	-174.9	0	0	0	0	113.8
688	G	27.5	Very low	26.2	Very low	73 Å²	73	126.5 Å²	126.5	75%	0.753	78%	0.78	S	S	*	*			trans	114.8	87.9	144.9	0	0	0	0	0	119.1
689	G	25.6	Very low	26.1	Very low	71 Å²	71	128.7 Å²	128.7	73%	0.732	79%	0.785	S	S	*	*				67	111.2	121.4	0	0	0	0	0	121.7
690	M	23.6	Very low	26.1	Very low	177 Å²	177	124.6 Å²	124.6	87%	0.872	78%	0.778	S	S	*	*				56	119.3	124.3	-75.2	177.5	65.6	0	0	120.9
691	V	24.1	Very low	26.4	Very low	107 Å²	107	125 Å²	125	65%	0.648	78%	0.78	S	S	*	*				129.6	127.5	102.3	134.2	0	0	0	0	118.3
692	K	24.3	Very low	26.7	Very low	148 Å²	148	121.2 Å²	121.2	64%	0.643	77%	0.774	S	S	*	*			trans	64.9	121.2	153.6	-74.4	-179.8	164.3	-77.5	0	118.8
693	E	22.8	Very low	26.8	Very low	151 Å²	151	121.6 Å²	121.6	71%	0.706	76%	0.764	S	S	*	*				79.1	142	93.1	-71	168.6	178.9	0	0	114.2
694	A	23.7	Very low	26.8	Very low	81 Å²	81	127.3 Å²	127.3	67%	0.669	77%	0.767	S	S	*	*			cis	-171.1	-176	-13.5	0	0	0	0	0	109.1
695	T	24.3	Very low	26.8	Very low	120 Å²	120	120.6 Å²	120.6	74%	0.736	76%	0.759	S	S	*	*			trans	119.7	127.6	139.2	-48.9	0	0	0	0	117.7
696	M	27.1	Very low	27.1	Very low	160 Å²	160	121.5 Å²	121.5	79%	0.788	76%	0.756	S	S	*	*			trans	69.3	112.5	155.8	-79.2	174.2	-175	0	0	123.6
697	K	26	Very low	27.2	Very low	196 Å²	196	121 Å²	121	85%	0.852	75%	0.75	S	S	*	*				44	108.8	117.1	-63.3	-175.9	174.9	-175	0	120.2
698	G	23	Very low	27.4	Very low	76 Å²	76	121.3 Å²	121.3	78%	0.784	74%	0.742	S	S	*	*				109	143.5	95.2	0	0	0	0	0	120.6
699	S	24	Very low	27.5	Very low	115 Å²	115	124 Å²	124	80%	0.804	74%	0.735	S	S	*	*			trans	79.2	97.2	161.5	-67.7	0	0	0	0	122.5
700	S	29.1	Very low	27.6	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	74%	0.735	S	S	*	*				70.7	128.2	110	-51.9	0	0	0	0	125
701	S	32.8	Very low	27.7	Very low	125 Å²	125	126.6 Å²	126.6	87%	0.874	73%	0.727	S	S	*	*			trans	74.4	147	142.8	-59.5	0	0	0	0	120.2
702	A	33.6	Very low	27.8	Very low	92 Å²	92	126.5 Å²	126.5	76%	0.76	73%	0.731	S	S	*	*			cis	-162.9	-153.7	-15.8	0	0	0	0	0	108.2
703	S	30.5	Very low	27.9	Very low	87 Å²	87	126.4 Å²	126.4	61%	0.608	73%	0.733	S	S	*	*			cis	-176.3	166.6	4.3	31.8	0	0	0	0	111.1
704	F	27.2	Very low	28.1	Very low	200 Å²	200	127 Å²	127	88%	0.877	74%	0.738	S	S	*	*			trans	77	155.5	165.8	-54.9	-77.8	0	0	0	120.4
705	A	30.7	Very low	28.2	Very low	81 Å²	81	130.8 Å²	130.8	67%	0.669	75%	0.747	S	S	*	*			cis	-178	138.6	-37.9	0	0	0	0	0	115.8
706	K	32.4	Very low	28.4	Very low	165 Å²	165	128 Å²	128	72%	0.717	74%	0.742	S	S	*	*			trans	77.1	134.7	139.3	-165.6	179.6	-173.2	179.3	0	123.1	P648	P648-K706 PolarHBondContact O-N 3.44Å
707	G	30.8	Very low	28.4	Very low	59 Å²	59	131.2 Å²	131.2	61%	0.608	75%	0.745	S	S	*	*			trans	151.2	68.7	146.3	0	0	0	0	0	125.6
708	Q	32.8	Very low	28.4	Very low	156 Å²	156	132.4 Å²	132.4	73%	0.729	75%	0.745	S	S	*	*			trans	20.2	149.8	142.4	-90.7	173.4	-62	0	0	129.1
709	H	29	Very low	28.6	Very low	131 Å²	131	136.6 Å²	136.6	61%	0.606	74%	0.744	S	S	*	*			trans	67.3	123.9	149.2	-73.1	-65	0	0	0	121.3
710	E	28.1	Very low	28.9	Very low	157 Å²	157	139.5 Å²	139.5	73%	0.734	75%	0.745	S	S	*	*				87.2	154.5	69.3	-90.7	-175.5	177.1	0	0	114.7
711	M	25.8	Very low	28.8	Very low	144 Å²	144	145.1 Å²	145.1	71%	0.709	75%	0.751	S	S	*	*			cis	-155.4	-175.1	7.3	-140.7	-175.9	83.3	0	0	111.8
712	S	25.6	Very low	28.5	Very low	105 Å²	105	150 Å²	150	73%	0.734	75%	0.751	S	S	*	*			trans	100.5	140.5	162.5	-163.7	0	0	0	0	118.1
713	E	27.1	Very low	28.2	Very low	146 Å²	146	151 Å²	151	68%	0.682	75%	0.751	S	S	*	*			cis	176.3	171.6	-37.9	170.7	166.1	-137.6	0	0	109.1
714	M	26.4	Very low	28	Very low	163 Å²	163	154.8 Å²	154.8	80%	0.803	76%	0.764	S	S	*	*			trans	74.5	95.5	178.2	-132.2	78.6	78.6	0	0	113.9
715	D	26.7	Very low	28.1	Very low	161 Å²	161	153.1 Å²	153.1	86%	0.861	76%	0.763	S	S	*	*				82.5	140.5	56	-170.9	36.5	0	0	0	114.3
716	G	28.3	Very low	27.9	Very low	61 Å²	61	155 Å²	155	63%	0.629	77%	0.771	S	S	*	*			trans	136.7	61.9	169.3	0	0	0	0	0	119.6
717	R	26.8	Very low	27.6	Very low	229 Å²	229	150.5 Å²	150.5	86%	0.864	77%	0.772	S	S	*	*			trans	72.9	133	146.4	-161.7	177.8	-171.7	168	2.4	120
718	W	25.4	Very low	27.4	Very low	220 Å²	220	159.1 Å²	159.1	83%	0.833	79%	0.786	S	S	*	*			trans	-109.9	151.7	172.9	-91.2	87.3	0	0	0	112.7	E720	W718-E720 HydrophobicContact CE3-CG 4.36Å; W718-E720 HydrophobicContact CZ3-CG 4.3Å
719	E	28.7	Very low	27.1	Very low	164 Å²	164	156 Å²	156	77%	0.766	79%	0.787	S	S	*	*			trans	-152.9	138.1	150.5	-105.5	173.1	-148.5	0	0	107.6
720	E	30.3	Very low	27.1	Very low	176 Å²	176	156.1 Å²	156.1	82%	0.822	80%	0.797	S	S	*	*			trans	-89.7	151.9	178.5	-70.6	-167.6	117.2	0	0	112.4	W718	W718-E720 HydrophobicContact CE3-CG 4.36Å; W718-E720 HydrophobicContact CZ3-CG 4.3Å
721	Y	27	Very low	27.1	Very low	226 Å²	226	156.9 Å²	156.9	89%	0.886	80%	0.801	S	S	*	*			trans	-134.7	132.9	173.8	-120.4	-91.3	0	0	0	111.3
722	R	25.6	Very low	27.1	Very low	228 Å²	228	155.5 Å²	155.5	86%	0.86	80%	0.8	S	S	*	*			trans	-101.5	144.2	178.5	-91.4	-171.3	-178.7	162	3.5	113.3
723	S	27	Very low	27.2	Very low	111 Å²	111	157 Å²	157	78%	0.776	81%	0.805	S	S	*	*			trans	50.9	123.8	147.7	59.7	0	0	0	0	120.7
724	L	27.5	Very low	27.2	Very low	167 Å²	167	153.5 Å²	153.5	87%	0.874	81%	0.809	S	S	*	*			trans	-128.8	-178	156.3	-83.9	172	0	0	0	109
725	L	27.9	Very low	27.4	Very low	165 Å²	165	150.2 Å²	150.2	86%	0.864	81%	0.807	S	S	*	*			trans	81.8	127.9	-174.5	-50.1	175	0	0	0	113
726	S	26.5	Very low	27.5	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	81%	0.81	S	S	*	*			cis	64	117.3	1.6	-168.5	0	0	0	0	118.1
727	G	26.2	Very low	27.5	Very low	71 Å²	71	150.1 Å²	150.1	73%	0.732	81%	0.814	S	S	*	*			trans	139.6	69.8	141.8	0	0	0	0	0	121.4
728	R	26.9	Very low	27.6	Very low	241 Å²	241	143.8 Å²	143.8	91%	0.909	81%	0.811	S	S	*	*				48.2	100.3	127.3	-169.9	-179	-176.4	163.7	3	121.1
729	A	26.9	Very low	27.9	Very low	90 Å²	90	140.4 Å²	140.4	74%	0.744	81%	0.808	S	S	*	*				40.2	132.7	124.4	0	0	0	0	0	124.2
730	T	27.7	Very low	27.8	Very low	133 Å²	133	140.9 Å²	140.9	82%	0.816	81%	0.812	S	S	*	*			trans	-163.9	166.2	133.7	34.2	0	0	0	0	109.9
731	Q	28.3	Very low	27.6	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	80%	0.804	S	S	*	*			cis	173.7	166	-40.4	-167.9	-179.4	5.1	0	0	107.4
732	V	26.6	Very low	27.7	Very low	115 Å²	115	132.3 Å²	132.3	70%	0.697	80%	0.795	S	S	*	*			trans	94	109.9	156.8	-173.8	0	0	0	0	120
733	T	27.1	Very low	27.9	Very low	137 Å²	137	129.5 Å²	129.5	84%	0.84	79%	0.792	S	S	*	*			trans	19.9	155.1	146.5	66.4	0	0	0	0	123.6
734	G	27.2	Very low	28	Very low	73 Å²	73	129.4 Å²	129.4	75%	0.753	79%	0.787	S	S	*	*			cis	144.3	177.8	-0.7	0	0	0	0	0	114.6
735	A	31.1	Very low	28	Very low	94 Å²	94	127.1 Å²	127.1	78%	0.777	78%	0.78	S	S	*	*			trans	94.4	127.3	163.3	0	0	0	0	0	122.9
736	T	29.5	Very low	28	Very low	151 Å²	151	128.1 Å²	128.1	93%	0.926	78%	0.777	S	S	*	*			trans	56.5	151.3	143.3	54.1	0	0	0	0	122.4
737	G	26.7	Very low	28	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	77%	0.773	S	S	*	*			cis	151.7	155.6	-4.2	0	0	0	0	0	113.8
738	A	30.1	Very low	28.1	Very low	95 Å²	95	131.9 Å²	131.9	79%	0.785	78%	0.781	S	S	*	*			trans	74.6	129.4	-177.1	0	0	0	0	0	116.1
739	I	30.3	Very low	28.1	Very low	150 Å²	150	132.2 Å²	132.2	77%	0.769	78%	0.782	S	S	*	*			cis	96.5	114.4	38.6	-67.4	160.3	0	0	0	113.2
740	M	26.9	Very low	28.2	Very low	173 Å²	173	132.2 Å²	132.2	85%	0.852	78%	0.782	S	S	*	*			trans	-176.6	176.9	133.8	-98.9	-58	160.2	0	0	111.9
741	T	26.9	Very low	28.1	Very low	107 Å²	107	132.8 Å²	132.8	66%	0.656	79%	0.786	S	S	*	*			trans	-129.5	165.7	-151.7	61.2	0	0	0	0	117.7
742	T	29.4	Very low	27.9	Very low	115 Å²	115	128.5 Å²	128.5	71%	0.706	79%	0.789	S	S	*	*			trans	69.2	119.6	144.1	43.4	0	0	0	0	123.4
743	E	28.7	Very low	28	Very low	169 Å²	169	127.6 Å²	127.6	79%	0.79	79%	0.793	S	S	*	*				89.4	121.8	126.5	-73.8	-167.8	151.9	0	0	125.9
744	T	29	Very low	28	Very low	110 Å²	110	126.4 Å²	126.4	68%	0.675	79%	0.791	S	S	*	*			trans	86.9	115.1	133.5	57.6	0	0	0	0	124.8
745	T	28.4	Very low	28	Very low	119 Å²	119	132.6 Å²	132.6	73%	0.73	79%	0.791	S	S	*	*			trans	73.1	112.2	133.4	56.4	0	0	0	0	124.5
746	K	28.4	Very low	27.8	Very low	186 Å²	186	133.7 Å²	133.7	81%	0.809	78%	0.784	S	S	*	*				78.7	122.6	125	-76.7	-172.7	175.7	177.5	0	123.2
747	T	26.2	Very low	27.7	Very low	123 Å²	123	135 Å²	135	76%	0.755	78%	0.781	S	S	*	*				93.1	146.6	129.8	49.9	0	0	0	0	123.3
748	T	27.8	Very low	27.6	Very low	146 Å²	146	136.4 Å²	136.4	90%	0.896	79%	0.787	S	S	*	*			trans	84.7	148.1	169.3	68.2	0	0	0	0	120.2
749	R	27.1	Very low	27.3	Very low	248 Å²	248	135.3 Å²	135.3	94%	0.936	78%	0.784	S	S	*	*			trans	-99.5	151.2	-175.5	-67.2	170.5	164.8	168.1	-7.4	110.1
750	A	28.1	Very low	27.2	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	79%	0.787	S	S	*	*				173	131.6	110.5	0	0	0	0	0	114.2
751	T	26.4	Very low	27.2	Very low	145 Å²	145	133.7 Å²	133.7	89%	0.89	79%	0.789	S	S	*	*			trans	19.7	123.7	146.1	57.7	0	0	0	0	121.6
752	G	24.7	Very low	27.2	Very low	84 Å²	84	133 Å²	133	87%	0.866	79%	0.794	S	S	*	*			trans	165.4	134.3	160.1	0	0	0	0	0	111
753	A	27.3	Very low	27.2	Very low	96 Å²	96	132 Å²	132	79%	0.793	80%	0.798	S	S	*	*			trans	-132.3	167.6	-166.5	0	0	0	0	0	114.7
754	S	27.1	Very low	27.3	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	80%	0.8	S	S	*	*			trans	77.8	147.6	170.3	88.4	0	0	0	0	115.4
755	R	28.8	Very low	27.5	Very low	203 Å²	203	129.6 Å²	129.6	77%	0.766	80%	0.804	S	S	*	*			cis	-141.8	154.1	17	-61.9	-170.7	75.6	127.8	7.7	113.4
756	D	26.7	Very low	28.1	Very low	116 Å²	116	128.5 Å²	128.5	62%	0.62	81%	0.807	S	S	*	*				29.3	148.4	126	-31.2	-34.2	0	0	0	119.8
757	M	25.8	Very low	28.8	Very low	178 Å²	178	124.7 Å²	124.7	88%	0.877	80%	0.795	S	S	*	*			cis	-166.1	149	26.8	-152.2	-177.5	-160.4	0	0	114.4
758	A	24.8	Very low	30	Very low	100 Å²	100	123.2 Å²	123.2	83%	0.826	78%	0.783	S	S	*	*			trans	44.6	135.4	147.3	0	0	0	0	0	124.3
759	G	24.3	Very low	30.9	Very low	71 Å²	71	123.5 Å²	123.5	73%	0.732	77%	0.774	S	S	*	*			trans	172.9	124	154.5	0	0	0	0	0	114
760	A	28.8	Very low	32	Very low	100 Å²	100	118 Å²	118	83%	0.826	76%	0.758	S	S	*	*			trans	56.6	119.7	-179.5	0	0	0	0	0	116
761	Q	27	Very low	33.2	Very low	189 Å²	189	119.3 Å²	119.3	88%	0.883	75%	0.748	S	S	*	*			cis	76.5	107.1	22.5	-157.6	177.4	-0.6	0	0	116.3
762	A	26.7	Very low	34.5	Very low	94 Å²	94	114.9 Å²	114.9	78%	0.777	72%	0.718	S	S	*	*			trans	54.5	103.8	152.1	0	0	0	0	0	120.2
763	A	28.7	Very low	35.4	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	71%	0.708	S	S	*	*			trans	-148.7	77.7	133.7	0	0	0	0	0	109.9	V765	A763-V765 PolarHBondContact O-N 2.76Å
764	A	31.3	Very low	36.6	Very low	102 Å²	102	118.8 Å²	118.8	84%	0.843	69%	0.693	S	S	*	*			trans	-69.3	109.8	159.5	0	0	0	0	0	106.7	A766	A764-A766 PolarHBondContact O-N 3.2Å
765	V	33.7	Very low	37.9	Very low	126 Å²	126	118.5 Å²	118.5	76%	0.764	68%	0.676	S	S	*	*			trans	-68.9	103.5	176	177.8	0	0	0	0	107.3	A763 L767	A763-V765 PolarHBondContact O-N 2.76Å; V765-L767 PolarHBondContact O-N 2.98Å
766	A	40.8	Very low	38.8	Very low	95 Å²	95	115.1 Å²	115.1	79%	0.785	67%	0.667	S	S	*	*			trans	-60.9	110.4	170.5	0	0	0	0	0	108.1	A764 N768	A764-A766 PolarHBondContact O-N 3.2Å; A766-N768 PolarHBondContact O-N 2.69Å
767	L	42.9	Very low	39.9	Very low	106 Å²	106	112.4 Å²	112.4	56%	0.555	66%	0.656	S	S	*	*			trans	-60.9	134.1	172.7	-67.2	172.3	0	0	0	108.1	V765 E769 F771 L772	V765-L767 PolarHBondContact O-N 2.98Å; L767-E769 PolarHBondContact O-N 2.68Å; L767-F771 HydrophobicContact CD2-CD1 4.49Å; L767-L772 HydrophobicContact CB-CD1 4.22Å; L767-L772 HydrophobicContact CB-CD2 4.28Å; L767-L772 HydrophobicContact CB-CG 4.11Å; L767-L772 HydrophobicContact CD1-CD2 4.16Å
768	N	50.3	Low	40.8	Very low	93 Å²	93	109 Å²	109	50%	0.497	64%	0.642	S	S	.	*			trans	-57.9	130.6	-178.6	-178.5	6.1	0	0	0	109.6	A766 E770 F771 L772	A766-N768 PolarHBondContact O-N 2.69Å; N768-E770 PolarHBondContact O-N 3.41Å; N768-E770 VanDerWaalsContact O-N 3.12Å; N768-E770 PolarHBondContact OD1-N 2.69Å; N768-E770 VanDerWaalsContact OD1-N 3.07Å; N768-F771 HydrophobicContact CB-CB 4.03Å; N768-F771 CarbonylContact O-C 3.38Å; N768-F771 WeakPolarHBondContact O-CA 3.23Å; N768-F771 WeakPolarHBondContact O-CB 3.43Å; N768-F771 PolarHBondContact O-N 3.14Å; N768-L772 PolarHBondContact O-N 3.47Å
769	E	48.4	Very low	41.5	Very low	151 Å²	151	108.2 Å²	108.2	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-49.8	-34.1	171.5	-88.2	-83.3	131.4	0	0	111.8	L767 L772 R773	L767-E769 PolarHBondContact O-N 2.68Å; E769-L772 PolarHBondContact O-N 3.35Å; E769-R773 WeakPolarHBondContact O-CB 3.33Å; E769-R773 PolarHBondContact O-N 3.14Å
770	E	48.9	Very low	42.2	Very low	132 Å²	132	107.6 Å²	107.6	62%	0.617	61%	0.608	S	S	*	*	H	α-helix	trans	-74.3	-32.2	176.9	-157.5	169.9	-137.2	0	0	112.6	N768 N774	N768-E770 PolarHBondContact O-N 3.41Å; N768-E770 VanDerWaalsContact O-N 3.12Å; N768-E770 PolarHBondContact OD1-N 2.69Å; N768-E770 VanDerWaalsContact OD1-N 3.07Å; E770-N774 WeakPolarHBondContact O-CB 3.37Å; E770-N774 PolarHBondContact O-N 3.08Å; E770-N774 PolarHBondContact O-OD1 3.47Å
771	F	53.2	Low	42.8	Very low	118 Å²	118	105.1 Å²	105.1	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-39.8	170.5	175.5	-94.5	0	0	0	111.2	L767 N768 N774 Y775	L767-F771 HydrophobicContact CD2-CD1 4.49Å; N768-F771 HydrophobicContact CB-CB 4.03Å; N768-F771 CarbonylContact O-C 3.38Å; N768-F771 WeakPolarHBondContact O-CA 3.23Å; N768-F771 WeakPolarHBondContact O-CB 3.43Å; N768-F771 PolarHBondContact O-N 3.14Å; F771-N774 PolarHBondContact O-N 2.67Å; F771-Y775 WeakPolarHBondContact O-CB 3.26Å; F771-Y775 PolarHBondContact O-N 3.41Å
772	L	53.6	Low	43.2	Very low	52 Å²	52	98.6 Å²	98.6	27%	0.272	56%	0.562	S	S	.	*	H	α-helix	trans	-66.5	-41	173.6	-70	173.3	0	0	0	111.2	L767 N768 E769 Y775 F776	L767-L772 HydrophobicContact CB-CD1 4.22Å; L767-L772 HydrophobicContact CB-CD2 4.28Å; L767-L772 HydrophobicContact CB-CG 4.11Å; L767-L772 HydrophobicContact CD1-CD2 4.16Å; N768-L772 PolarHBondContact O-N 3.47Å; E769-L772 PolarHBondContact O-N 3.35Å; L772-Y775 PolarHBondContact O-N 2.82Å; L772-F776 HydrophobicContact CB-CD2 4.43Å; L772-F776 HydrophobicContact CB-CE2 4.48Å; L772-F776 HydrophobicContact CD2-CE2 4.37Å; L772-F776 WeakPolarHBondContact O-CB 3.37Å; L772-F776 WeakPolarHBondContact O-CD2 3.14Å; L772-F776 PolarHBondContact O-N 2.99Å
773	R	45.2	Very low	43.8	Very low	175 Å²	175	101.4 Å²	101.4	66%	0.66	55%	0.554	S	S	*	*	H	α-helix	trans	-60.7	-47.6	173.6	175.4	172.9	-78.4	-92.6	-1.2	111.2	E769 S777	E769-R773 WeakPolarHBondContact O-CB 3.33Å; E769-R773 PolarHBondContact O-N 3.14Å; R773-S777 VanDerWaalsContact O-CB 3.22Å; R773-S777 WeakPolarHBondContact O-CB 3.46Å; R773-S777 PolarHBondContact O-N 3Å; R773-S777 PolarHBondContact O-OG 2.96Å
774	N	52.1	Low	44.3	Very low	88 Å²	88	102 Å²	102	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-47.4	175.5	-76.4	16.1	0	0	0	111	E770 F771 F776 S777 D778	E770-N774 WeakPolarHBondContact O-CB 3.37Å; E770-N774 PolarHBondContact O-N 3.08Å; E770-N774 PolarHBondContact O-OD1 3.47Å; F771-N774 PolarHBondContact O-N 2.67Å; N774-F776 VanDerWaalsContact C-N 3.3Å; N774-F776 PolarHBondContact O-N 3.4Å; N774-S777 CarbonylContact O-C 3.53Å; N774-S777 PolarHBondContact O-N 3.36Å; N774-D778 VanDerWaalsContact O-CB 3.32Å; N774-D778 WeakPolarHBondContact O-CB 3.26Å; N774-D778 PolarHBondContact O-N 2.81Å
775	Y	53.7	Low	44.7	Very low	106 Å²	106	105.4 Å²	105.4	42%	0.416	55%	0.547	S	S	.	.	H	α-helix	trans	-54.2	-43.2	176.4	179	-96.2	0	0	0	112.6	F771 L772 K779	F771-Y775 WeakPolarHBondContact O-CB 3.26Å; F771-Y775 PolarHBondContact O-N 3.41Å; L772-Y775 PolarHBondContact O-N 2.82Å; Y775-K779 HydrophobicContact CE1-CD 3.98Å; Y775-K779 WeakPolarHBondContact O-CB 3.46Å; Y775-K779 PolarHBondContact O-N 2.87Å; Y775-K779 PolarHBondContact OH-NZ 2.91Å
776	F	48.8	Very low	44.9	Very low	132 Å²	132	107.2 Å²	107.2	58%	0.579	55%	0.547	S	S	*	.	H	α-helix	trans	-78.2	-24	175.6	-71.9	-59.7	0	0	0	113.9	L772 N774 A780	L772-F776 HydrophobicContact CB-CD2 4.43Å; L772-F776 HydrophobicContact CB-CE2 4.48Å; L772-F776 HydrophobicContact CD2-CE2 4.37Å; L772-F776 WeakPolarHBondContact O-CB 3.37Å; L772-F776 WeakPolarHBondContact O-CD2 3.14Å; L772-F776 PolarHBondContact O-N 2.99Å; N774-F776 VanDerWaalsContact C-N 3.3Å; N774-F776 PolarHBondContact O-N 3.4Å; F776-A780 WeakPolarHBondContact O-CB 3.39Å; F776-A780 PolarHBondContact O-N 3.04Å
777	S	48.9	Very low	44.5	Very low	58 Å²	58	107 Å²	107	41%	0.406	53%	0.532	S	S	.	.	H	α-helix	trans	-78.4	-45.1	175.3	-56.7	0	0	0	0	111.4	R773 N774 K779 A780 A781	R773-S777 VanDerWaalsContact O-CB 3.22Å; R773-S777 WeakPolarHBondContact O-CB 3.46Å; R773-S777 PolarHBondContact O-N 3Å; R773-S777 PolarHBondContact O-OG 2.96Å; N774-S777 CarbonylContact O-C 3.53Å; N774-S777 PolarHBondContact O-N 3.36Å; S777-K779 VanDerWaalsContact C-N 3.31Å; S777-A780 PolarHBondContact O-N 2.84Å; S777-A781 WeakPolarHBondContact O-CB 3.45Å; S777-A781 PolarHBondContact O-N 2.9Å
778	D	44.3	Very low	44.2	Very low	107 Å²	107	110.8 Å²	110.8	57%	0.572	55%	0.547	S	S	*	.	H	α-helix	trans	-64.5	-37.5	174.4	-59.9	-22.8	0	0	0	110.4	N774 A781 S782	N774-D778 VanDerWaalsContact O-CB 3.32Å; N774-D778 WeakPolarHBondContact O-CB 3.26Å; N774-D778 PolarHBondContact O-N 2.81Å; D778-A781 PolarHBondContact O-N 3.09Å; D778-S782 PolarHBondContact O-N 2.73Å
779	K	38.8	Very low	43.6	Very low	84 Å²	84	113 Å²	113	37%	0.365	56%	0.559	S	S	.	*	H	α-helix	trans	-74.1	-33.1	173.9	-166.7	171.1	-166.3	173.6	0	113	Y775 S777 S782 Y783	Y775-K779 HydrophobicContact CE1-CD 3.98Å; Y775-K779 WeakPolarHBondContact O-CB 3.46Å; Y775-K779 PolarHBondContact O-N 2.87Å; Y775-K779 PolarHBondContact OH-NZ 2.91Å; S777-K779 VanDerWaalsContact C-N 3.31Å; K779-S782 PolarHBondContact O-OG 3.06Å; K779-S782 VanDerWaalsContact O-OG 3.07Å; K779-Y783 HydrophobicContact CG-CD2 4.23Å; K779-Y783 HydrophobicContact CG-CE2 4.35Å; K779-Y783 WeakPolarHBondContact O-CD2 3.44Å; K779-Y783 PolarHBondContact O-N 2.62Å
780	A	40.3	Very low	42.8	Very low	58 Å²	58	113.7 Å²	113.7	48%	0.479	56%	0.562	S	S	.	*	H	α-helix	trans	-66.4	-39.9	169.5	0	0	0	0	0	111.1	F776 S777 Y783 T784	F776-A780 WeakPolarHBondContact O-CB 3.39Å; F776-A780 PolarHBondContact O-N 3.04Å; S777-A780 PolarHBondContact O-N 2.84Å; A780-Y783 PolarHBondContact O-N 3.37Å; A780-T784 PolarHBondContact O-N 2.68Å; A780-T784 PolarHBondContact O-OG1 2.64Å
781	A	40.6	Very low	42	Very low	48 Å²	48	114 Å²	114	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-64.4	-43.2	174.9	0	0	0	0	0	112.1	S777 D778 Y783 T784 E785	S777-A781 WeakPolarHBondContact O-CB 3.45Å; S777-A781 PolarHBondContact O-N 2.9Å; D778-A781 PolarHBondContact O-N 3.09Å; A781-Y783 VanDerWaalsContact C-N 3.34Å; A781-Y783 PolarHBondContact O-N 3.39Å; A781-T784 WeakPolarHBondContact CA-OG1 3.37Å; A781-T784 PolarHBondContact O-N 3.43Å; A781-T784 PolarHBondContact O-OG1 3.38Å; A781-E785 PolarHBondContact O-N 2.89Å
782	S	36.8	Very low	40.9	Very low	51 Å²	51	112.8 Å²	112.8	36%	0.357	59%	0.585	S	S	.	*	H	α-helix	trans	-64.2	-38.2	175.7	74.7	0	0	0	0	112.1	D778 K779 T784 E785 E786	D778-S782 PolarHBondContact O-N 2.73Å; K779-S782 PolarHBondContact O-OG 3.06Å; K779-S782 VanDerWaalsContact O-OG 3.07Å; S782-T784 PolarHBondContact O-N 2.7Å; S782-E785 PolarHBondContact O-N 2.56Å; S782-E785 VanDerWaalsContact O-N 3.17Å; S782-E786 PolarHBondContact O-N 3.28Å
783	Y	37.9	Very low	39.9	Very low	154 Å²	154	120 Å²	120	60%	0.604	61%	0.614	S	S	*	*	H	α-helix	trans	-65.6	-19.1	172.7	-94.3	-75.2	0	0	0	113.9	K779 A780 A781	K779-Y783 HydrophobicContact CG-CD2 4.23Å; K779-Y783 HydrophobicContact CG-CE2 4.35Å; K779-Y783 WeakPolarHBondContact O-CD2 3.44Å; K779-Y783 PolarHBondContact O-N 2.62Å; A780-Y783 PolarHBondContact O-N 3.37Å; A781-Y783 VanDerWaalsContact C-N 3.34Å; A781-Y783 PolarHBondContact O-N 3.39Å
784	T	39.1	Very low	39.1	Very low	107 Å²	107	119.4 Å²	119.4	66%	0.656	62%	0.624	S	S	*	*	H	α-helix	trans	-90.1	-12.3	172.1	50.3	0	0	0	0	115	A780 A781 S782	A780-T784 PolarHBondContact O-N 2.68Å; A780-T784 PolarHBondContact O-OG1 2.64Å; A781-T784 WeakPolarHBondContact CA-OG1 3.37Å; A781-T784 PolarHBondContact O-N 3.43Å; A781-T784 PolarHBondContact O-OG1 3.38Å; S782-T784 PolarHBondContact O-N 2.7Å
785	E	40	Very low	38.1	Very low	173 Å²	173	120.8 Å²	120.8	81%	0.808	64%	0.639	S	S	*	*	H	α-helix	trans	-100.9	-16.2	177.1	-67.7	-166.2	153.3	0	0	113.9	A781 S782	A781-E785 PolarHBondContact O-N 2.89Å; S782-E785 PolarHBondContact O-N 2.56Å; S782-E785 VanDerWaalsContact O-N 3.17Å
786	E	37.8	Very low	37	Very low	164 Å²	164	124 Å²	124	77%	0.766	66%	0.662	S	S	*	*	S	Bend	trans	-105.2	9.9	-178.6	-67.9	-167.5	135.7	0	0	115.7	S782	S782-E786 PolarHBondContact O-N 3.28Å
787	N	33.8	Very low	36	Very low	90 Å²	90	124.9 Å²	124.9	48%	0.481	67%	0.673	S	S	.	*			trans	-131	21.4	-172.7	-89.8	-66.6	0	0	0	118	N789	N787-N789 PolarHBondContact O-N 2.99Å
788	E	36.3	Very low	35.2	Very low	186 Å²	186	128.6 Å²	128.6	87%	0.869	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	23.9	171	-71.5	-151.3	134.3	0	0	114.9
789	N	37.3	Very low	34.3	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	8.7	178.6	-121.2	-13.7	0	0	0	115.8	N787	N787-N789 PolarHBondContact O-N 2.99Å
790	H	32.5	Very low	33.9	Very low	165 Å²	165	135 Å²	135	76%	0.764	73%	0.726	S	S	*	*			trans	-136.4	75.3	170.6	-78.5	-56.8	0	0	0	112.2	A792	H790-A792 VanDerWaalsContact C-N 3.29Å; H790-A792 PolarHBondContact O-N 3.13Å
791	T	30.3	Very low	33.5	Very low	139 Å²	139	140.1 Å²	140.1	85%	0.853	74%	0.739	S	S	*	*			trans	-70.8	85.8	164.1	54.7	0	0	0	0	110.3	K793	T791-K793 PolarHBondContact O-N 3.29Å
792	A	31.9	Very low	33	Very low	92 Å²	92	144.9 Å²	144.9	76%	0.76	75%	0.753	S	S	*	*			trans	-60.4	131.7	166.4	0	0	0	0	0	109.9	H790 D794	H790-A792 VanDerWaalsContact C-N 3.29Å; H790-A792 PolarHBondContact O-N 3.13Å; A792-D794 PolarHBondContact O-N 2.96Å
793	K	31.8	Very low	32.7	Very low	202 Å²	202	150.2 Å²	150.2	88%	0.878	77%	0.773	S	S	*	*			trans	-87.2	77.7	178.1	-71.5	-176.8	178.6	176.8	0	111.1	T791	T791-K793 PolarHBondContact O-N 3.29Å
794	D	27.3	Very low	32.4	Very low	163 Å²	163	149.8 Å²	149.8	87%	0.872	79%	0.786	S	S	*	*			trans	-99.1	94.8	161	-91.8	-27.1	0	0	0	109.7	A792	A792-D794 PolarHBondContact O-N 2.96Å
795	C	31.5	Very low	31.9	Very low	117 Å²	117	151.5 Å²	151.5	79%	0.791	79%	0.787	S	S	*	*			trans	-99.9	113.3	168.9	-77.1	0	0	0	0	109.7	L797	C795-L797 PolarHBondContact O-N 2.83Å
796	L	31.4	Very low	31.4	Very low	173 Å²	173	147.1 Å²	147.1	91%	0.906	78%	0.775	S	S	*	*			trans	-55.8	120	166.6	-79	147.2	0	0	0	110.2	V798	L796-V798 PolarHBondContact O-N 3Å
797	L	28.3	Very low	31	Very low	152 Å²	152	147 Å²	147	80%	0.796	78%	0.779	S	S	*	*			trans	-79.3	113.3	170.6	-74.1	171.2	0	0	0	109.9	C795	C795-L797 PolarHBondContact O-N 2.83Å
798	V	30.4	Very low	30.9	Very low	135 Å²	135	150.4 Å²	150.4	82%	0.818	80%	0.797	S	S	*	*			trans	-94.8	127.3	161.5	177.8	0	0	0	0	107.3	L796	L796-V798 PolarHBondContact O-N 3Å
799	Y	26.6	Very low	30.5	Very low	213 Å²	213	146.3 Å²	146.3	84%	0.835	80%	0.795	S	S	*	*			trans	-79.1	143.3	-179	-82	-100.4	0	0	0	112.4
800	S	30.3	Very low	30.2	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	79%	0.793	S	S	*	*			trans	-149	121.3	159.2	59.3	0	0	0	0	110
801	Q	30.9	Very low	30	Very low	165 Å²	165	144.6 Å²	144.6	77%	0.771	80%	0.798	S	S	*	*			trans	-66.9	166.9	166.8	-67.3	153.5	-99.5	0	0	109.8
802	E	31.6	Very low	29.9	Very low	147 Å²	147	141.4 Å²	141.4	69%	0.687	79%	0.793	S	S	*	*			cis	-160.6	-171.4	15.2	-148.2	145.2	-122.3	0	0	112.8
803	E	28.9	Very low	29.8	Very low	164 Å²	164	143 Å²	143	77%	0.766	80%	0.797	S	S	*	*			trans	68.9	101.6	163.4	-50.6	-164.2	163.2	0	0	120.9
804	T	31.6	Very low	29.5	Very low	144 Å²	144	139.5 Å²	139.5	88%	0.883	80%	0.796	S	S	*	*				167.8	148.4	105.4	35.3	0	0	0	0	115.5
805	E	30.1	Very low	29.5	Very low	144 Å²	144	137.1 Å²	137.1	67%	0.673	79%	0.792	S	S	*	*			trans	-78.9	162.4	170.3	-97.9	-152.3	-127.1	0	0	113.1	H548	H548-E805 IonicContact CE1-OE1 2.62Å; H548-E805 IonicContact NE2-OE1 3.69Å; H548-E805 PolarHBondContact NE2-OE1 3.21Å
806	S	28.1	Very low	29.4	Very low	80 Å²	80	141.9 Å²	141.9	56%	0.559	80%	0.8	S	S	*	*			cis	-166	173.5	-16.4	51.5	0	0	0	0	108.9
807	L	30.1	Very low	29.3	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	80%	0.798	S	S	*	*				179.1	157.7	96.2	-113.5	165.5	0	0	0	111.3
808	N	31.6	Very low	29.5	Very low	160 Å²	160	144 Å²	144	86%	0.856	81%	0.805	S	S	*	*			trans	-87	132.7	-164.7	-64.6	-26	0	0	0	116.8
809	A	28	Very low	29.6	Very low	100 Å²	100	141 Å²	141	83%	0.826	80%	0.801	S	S	*	*			trans	-161.9	78.3	154.9	0	0	0	0	0	115.8
810	S	30.7	Very low	30	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	81%	0.805	S	S	*	*			trans	39.3	110	144.5	179	0	0	0	0	122.5
811	I	29	Very low	30.3	Very low	168 Å²	168	143 Å²	143	86%	0.862	81%	0.81	S	S	*	*			trans	68.3	123.7	140.7	-57.7	171.7	0	0	0	118.9
812	G	27.2	Very low	30.7	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	80%	0.803	S	S	*	*			trans	161.5	99.6	157.8	0	0	0	0	0	114.3
813	C	30	Very low	31.2	Very low	125 Å²	125	140.5 Å²	140.5	85%	0.845	81%	0.807	S	S	*	*			trans	-84.6	164.6	165.9	-73.5	0	0	0	0	111.2
814	C	26.8	Very low	32.2	Very low	128 Å²	128	143.2 Å²	143.2	87%	0.865	81%	0.81	S	S	*	*			trans	76.3	83	172.4	-54.9	0	0	0	0	117.3
815	S	26.8	Very low	32.8	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	80%	0.8	S	S	*	*			trans	-142.8	85.5	159.8	-70	0	0	0	0	111.4
816	F	27.9	Very low	33.5	Very low	216 Å²	216	142 Å²	142	95%	0.947	80%	0.795	S	S	*	*			trans	-155.6	45	166.8	-98.5	-55.8	0	0	0	113.1
817	I	29.5	Very low	34.4	Very low	169 Å²	169	145.9 Å²	145.9	87%	0.867	81%	0.81	S	S	*	*			trans	-135.6	83.6	156.1	-52.5	-179.4	0	0	0	108.8
818	E	34	Very low	35.2	Very low	201 Å²	201	145.8 Å²	145.8	94%	0.939	81%	0.81	S	S	*	*			trans	-112.4	132.6	146.7	-67.6	-176.6	154.1	0	0	105.9
819	G	32.3	Very low	36	Very low	71 Å²	71	141.6 Å²	141.6	73%	0.732	79%	0.787	S	S	*	*			cis	165.1	90.2	-8.8	0	0	0	0	0	112.1
820	E	33.6	Very low	37.2	Very low	199 Å²	199	139.2 Å²	139.2	93%	0.93	77%	0.772	S	S	*	*			trans	-156.8	90.9	170.8	-143.1	173.4	-129.4	0	0	111.3
821	L	37.4	Very low	38.1	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	78%	0.777	S	S	*	*	S	Bend	trans	-155.7	114	168	-105.4	177.1	0	0	0	111.2
822	D	39.8	Very low	38.6	Very low	119 Å²	119	142.1 Å²	142.1	64%	0.636	77%	0.772	S	S	*	*			trans	-1.1	112.9	176.1	-91.5	-62.5	0	0	0	120.7	R824	D822-R824 HydrophobicContact CB-CB 4.42Å; D822-R824 PolarHBondContact O-N 2.88Å
823	D	42	Very low	39.6	Very low	142 Å²	142	144.8 Å²	144.8	76%	0.759	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	14.7	163.7	-81.4	-47.8	0	0	0	114.6
824	R	50.5	Low	40.5	Very low	220 Å²	220	144.7 Å²	144.7	83%	0.83	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	1.9	-175.4	-72.2	-175.7	168.3	-172.8	-0.3	115.1	D822	D822-R824 HydrophobicContact CB-CB 4.42Å; D822-R824 PolarHBondContact O-N 2.88Å
825	F	44.1	Very low	41.8	Very low	156 Å²	156	142.2 Å²	142.2	68%	0.684	73%	0.73	S	S	*	*	S	Bend	trans	-96.6	-15.3	179.2	-175.6	-113.3	0	0	0	114.1
826	L	44.1	Very low	42.8	Very low	106 Å²	106	142 Å²	142	56%	0.555	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-83.5	-16.4	-166.6	-64.8	177.6	0	0	0	115.4	D828 L829	L826-D828 PolarHBondContact O-N 2.8Å; L826-L829 HydrophobicContact CD2-CD1 3.97Å
827	D	46.3	Very low	43.8	Very low	163 Å²	163	134.2 Å²	134.2	87%	0.872	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-72.3	-22.9	-177	-82.2	-33.1	0	0	0	114.4
828	D	48.7	Very low	44.8	Very low	160 Å²	160	129.5 Å²	129.5	86%	0.856	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-91	-1	-176.2	-111.9	-16.5	0	0	0	113.9	L826 G830	L826-D828 PolarHBondContact O-N 2.8Å; D828-G830 PolarHBondContact O-N 2.85Å; D828-G830 VanDerWaalsContact O-N 3.12Å
829	L	47.4	Very low	45.8	Very low	72 Å²	72	124.2 Å²	124.2	38%	0.377	65%	0.65	S	S	.	*			trans	-82.2	94.9	-176	-67.7	178.9	0	0	0	112.3	L826 F833	L826-L829 HydrophobicContact CD2-CD1 3.97Å; L829-F833 HydrophobicContact CB-CB 4.07Å
830	G	52.2	Low	46.4	Very low	50 Å²	50	126.1 Å²	126.1	52%	0.515	65%	0.651	S	S	.	*			trans	-51.7	155	-175.3	0	0	0	0	0	116.4	D828 K832 F833	D828-G830 PolarHBondContact O-N 2.85Å; D828-G830 VanDerWaalsContact O-N 3.12Å; G830-K832 PolarHBondContact O-N 2.84Å; G830-F833 PolarHBondContact O-N 2.94Å
831	L	51.6	Low	47.3	Very low	154 Å²	154	123.3 Å²	123.3	81%	0.806	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-30.8	-26.1	-164.6	-72.4	165.7	0	0	0	120.5	T835	L831-T835 PolarHBondContact O-OG1 2.88Å; L831-T835 VanDerWaalsContact O-OG1 3.13Å
832	K	38.8	Very low	47.4	Very low	178 Å²	178	118.3 Å²	118.3	77%	0.774	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-27.5	176.8	-71.7	-174.8	175.3	-178	0	114.1	G830	G830-K832 PolarHBondContact O-N 2.84Å
833	F	47.4	Very low	47.9	Very low	127 Å²	127	119.6 Å²	119.6	56%	0.557	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-34.4	-179.4	-70.3	-76.9	0	0	0	111.8	L829 G830 T835 L836 A837	L829-F833 HydrophobicContact CB-CB 4.07Å; G830-F833 PolarHBondContact O-N 2.94Å; F833-T835 VanDerWaalsContact C-N 3.29Å; F833-T835 PolarHBondContact O-N 2.88Å; F833-L836 WeakPolarHBondContact O-CB 3.38Å; F833-L836 PolarHBondContact O-N 3.41Å; F833-A837 PolarHBondContact O-N 2.88Å; F833-A837 VanDerWaalsContact O-N 3.13Å
834	K	48.8	Very low	47.7	Very low	124 Å²	124	122.9 Å²	122.9	54%	0.539	64%	0.641	S	S	.	*	H	α-helix	trans	-53.4	-43.5	172.5	-178.8	161.6	-179.4	162.4	0	113	L836 A837 E838	K834-L836 PolarHBondContact O-N 3.41Å; K834-A837 PolarHBondContact O-N 3.17Å; K834-E838 WeakPolarHBondContact CE-OE1 3.4Å; K834-E838 HydrophobicContact CG-CG 4.45Å; K834-E838 WeakPolarHBondContact CG-OE1 3.44Å; K834-E838 WeakPolarHBondContact O-CG 3.39Å; K834-E838 PolarHBondContact O-N 3.1Å
835	T	53.8	Low	47.3	Very low	75 Å²	75	117.3 Å²	117.3	46%	0.46	63%	0.627	S	S	.	*	H	α-helix	trans	-67.4	-22.4	179.6	-20.4	0	0	0	0	113.5	L831 F833 V839	L831-T835 PolarHBondContact O-OG1 2.88Å; L831-T835 VanDerWaalsContact O-OG1 3.13Å; F833-T835 VanDerWaalsContact C-N 3.29Å; F833-T835 PolarHBondContact O-N 2.88Å; T835-V839 WeakPolarHBondContact O-CG2 3.37Å
836	L	49.8	Very low	46.8	Very low	110 Å²	110	116.8 Å²	116.8	58%	0.576	63%	0.631	S	S	*	*	H	α-helix	trans	-80.1	-42.6	173.2	-83.4	159	0	0	0	111.2	F833 K834 E838 V839 C840	F833-L836 WeakPolarHBondContact O-CB 3.38Å; F833-L836 PolarHBondContact O-N 3.41Å; K834-L836 PolarHBondContact O-N 3.41Å; L836-E838 VanDerWaalsContact C-N 3.34Å; L836-E838 PolarHBondContact O-N 2.81Å; L836-V839 PolarHBondContact O-N 3.4Å; L836-C840 PolarHBondContact O-N 2.79Å; L836-C840 PolarHBondContact O-SG 3.01Å
837	A	47.1	Very low	46.5	Very low	52 Å²	52	118.7 Å²	118.7	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-59.8	-43.3	175.2	0	0	0	0	0	112.1	F833 K834 V839 C840 L841	F833-A837 PolarHBondContact O-N 2.88Å; F833-A837 VanDerWaalsContact O-N 3.13Å; K834-A837 PolarHBondContact O-N 3.17Å; A837-V839 VanDerWaalsContact C-N 3.28Å; A837-V839 PolarHBondContact O-N 3.49Å; A837-C840 PolarHBondContact O-N 2.91Å; A837-L841 WeakPolarHBondContact O-CG 3.39Å; A837-L841 PolarHBondContact O-N 3.01Å
838	E	51	Low	45.8	Very low	70 Å²	70	117.2 Å²	117.2	33%	0.327	63%	0.633	S	S	.	*	H	α-helix	trans	-62.5	-32.2	177.8	-72	166.8	169.8	0	0	112.9	K834 L836	K834-E838 WeakPolarHBondContact CE-OE1 3.4Å; K834-E838 HydrophobicContact CG-CG 4.45Å; K834-E838 WeakPolarHBondContact CG-OE1 3.44Å; K834-E838 WeakPolarHBondContact O-CG 3.39Å; K834-E838 PolarHBondContact O-N 3.1Å; L836-E838 VanDerWaalsContact C-N 3.34Å; L836-E838 PolarHBondContact O-N 2.81Å
839	V	54.8	Low	45.1	Very low	91 Å²	91	117 Å²	117	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-74.5	-41.6	174.1	168.7	0	0	0	0	111.8	T835 L836 A837 L841 G842 I845	T835-V839 WeakPolarHBondContact O-CG2 3.37Å; L836-V839 PolarHBondContact O-N 3.4Å; A837-V839 VanDerWaalsContact C-N 3.28Å; A837-V839 PolarHBondContact O-N 3.49Å; V839-L841 PolarHBondContact O-N 2.77Å; V839-G842 PolarHBondContact O-N 2.85Å; V839-I845 HydrophobicContact CG2-CD1 4.49Å
840	C	45.7	Very low	44.3	Very low	110 Å²	110	121.5 Å²	121.5	74%	0.743	65%	0.647	S	S	*	*	H	α-helix	trans	-66.1	-24.1	176.9	-69.6	0	0	0	0	113.4	L836 A837 G842	L836-C840 PolarHBondContact O-N 2.79Å; L836-C840 PolarHBondContact O-SG 3.01Å; A837-C840 PolarHBondContact O-N 2.91Å; C840-G842 VanDerWaalsContact C-N 3.3Å; C840-G842 PolarHBondContact O-N 2.59Å
841	L	51.8	Low	43.5	Very low	140 Å²	140	125.9 Å²	125.9	73%	0.733	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	7	176.2	-69.3	169.2	0	0	0	114.2	A837 V839 Q843	A837-L841 WeakPolarHBondContact O-CG 3.39Å; A837-L841 PolarHBondContact O-N 3.01Å; V839-L841 PolarHBondContact O-N 2.77Å; L841-Q843 VanDerWaalsContact C-N 3.28Å; L841-Q843 PolarHBondContact O-N 2.82Å
842	G	40.6	Very low	42.4	Very low	66 Å²	66	126.9 Å²	126.9	68%	0.68	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.1	12.5	167.8	0	0	0	0	0	116.2	V839 C840	V839-G842 PolarHBondContact O-N 2.85Å; C840-G842 VanDerWaalsContact C-N 3.3Å; C840-G842 PolarHBondContact O-N 2.59Å
843	Q	49.4	Very low	42	Very low	146 Å²	146	126.7 Å²	126.7	68%	0.682	66%	0.66	S	S	*	*			trans	-70.8	135.8	174.8	-72.2	-167.5	-5.4	0	0	111.4	L841 I845	L841-Q843 VanDerWaalsContact C-N 3.28Å; L841-Q843 PolarHBondContact O-N 2.82Å; Q843-I845 PolarHBondContact O-N 2.68Å
844	K	37.8	Very low	41.1	Very low	211 Å²	211	132 Å²	132	92%	0.917	68%	0.676	S	S	*	*			trans	-76.5	104.5	171.3	-75.2	-173.2	176	-178.4	0	110.1
845	I	42.7	Very low	40.1	Very low	102 Å²	102	135.3 Å²	135.3	52%	0.523	69%	0.694	S	S	.	*			trans	-73.9	123.3	165.4	-58.7	173.8	0	0	0	108.1	V839 Q843	V839-I845 HydrophobicContact CG2-CD1 4.49Å; Q843-I845 PolarHBondContact O-N 2.68Å
846	D	33.4	Very low	38.7	Very low	146 Å²	146	141.2 Å²	141.2	78%	0.781	71%	0.713	S	S	*	*			trans	-82.3	121.6	173.1	-165.6	5.7	0	0	0	109.3
847	I	37.9	Very low	38.4	Very low	146 Å²	146	141.6 Å²	141.6	75%	0.749	72%	0.722	S	S	*	*			trans	-101.3	105.6	-168.7	-58.4	176.7	0	0	0	109.8
848	N	32.2	Very low	37.3	Very low	132 Å²	132	143.9 Å²	143.9	71%	0.706	74%	0.741	S	S	*	*			trans	-144	130.7	166	-85.6	-68.9	0	0	0	111.3
849	M	33.1	Very low	36.1	Very low	156 Å²	156	146.5 Å²	146.5	77%	0.768	76%	0.762	S	S	*	*			trans	66	140.9	166.9	-60.7	-175.6	80.5	0	0	117.7
850	E	30.9	Very low	34.7	Very low	166 Å²	166	150 Å²	150	78%	0.776	77%	0.772	S	S	*	*			cis	-154.9	174.8	-24.1	-136	161.4	-148.2	0	0	111.5
851	I	34.2	Very low	33.7	Very low	142 Å²	142	150.5 Å²	150.5	73%	0.728	77%	0.772	S	S	*	*			trans	-87.2	137.1	-165.4	-64.5	153.8	0	0	0	112.4
852	E	29.9	Very low	32.5	Very low	174 Å²	174	148.5 Å²	148.5	81%	0.813	77%	0.769	S	S	*	*			trans	-171.8	105.4	132.6	-104.9	174	-166.1	0	0	110.5
853	Q	30.4	Very low	31.9	Very low	174 Å²	174	154.3 Å²	154.3	81%	0.813	78%	0.781	S	S	*	*				85	135.9	90.6	-76.9	-159.3	9.4	0	0	116
854	R	28.2	Very low	30.9	Very low	240 Å²	240	154 Å²	154	91%	0.906	78%	0.784	S	S	*	*			trans	-83.5	147.2	179.9	-62.3	171.4	170.3	179	-4.2	110.7
855	Q	26.8	Very low	30.3	Very low	193 Å²	193	150 Å²	150	90%	0.902	78%	0.778	S	S	*	*				-170.7	147.9	113.8	-104.3	166.9	9.5	0	0	115.6
856	K	26	Very low	29.5	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	79%	0.788	S	S	*	*			trans	-134	167.8	154.9	-108.3	-172.4	177.6	-177.4	0	104.9
857	P	43.5	Very low	29.2	Very low	117 Å²	117	147.7 Å²	147.7	76%	0.76	79%	0.787	S	S	*	*			cis	-128.9	-179.8	1.9	41.8	-27.2	0	0	0	113.9
858	A	23.9	Very low	28.7	Very low	101 Å²	101	152.1 Å²	152.1	84%	0.835	80%	0.795	S	S	*	*			trans	-156.1	162.2	150.5	0	0	0	0	0	109.8
859	T	25	Very low	28.5	Very low	124 Å²	124	150.6 Å²	150.6	76%	0.761	80%	0.795	S	S	*	*			trans	-123.2	165	-171	-43.3	0	0	0	0	111
860	E	25	Very low	28.2	Very low	164 Å²	164	147.5 Å²	147.5	77%	0.766	79%	0.793	S	S	*	*			trans	99.6	140.4	137.4	-137.6	155.2	-92.8	0	0	121.3
861	T	24.7	Very low	27.9	Very low	122 Å²	122	150 Å²	150	75%	0.748	80%	0.797	S	S	*	*			trans	61.8	98.9	159.1	34.5	0	0	0	0	122.2
862	S	26.3	Very low	27.5	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	80%	0.803	S	S	*	*				43.5	119.2	109.6	167	0	0	0	0	120.3
863	M	28.8	Very low	27.4	Very low	188 Å²	188	151.7 Å²	151.7	93%	0.926	80%	0.802	S	S	*	*				-141.8	140.3	129.4	-82.3	-150.1	171.9	0	0	112.9
864	N	27.4	Very low	27.1	Very low	139 Å²	139	150.5 Å²	150.5	74%	0.743	81%	0.807	S	S	*	*			trans	-80.3	178	161.8	-58.5	-60.7	0	0	0	109
865	T	26.2	Very low	27	Very low	128 Å²	128	147.6 Å²	147.6	79%	0.785	81%	0.806	S	S	*	*			cis	-166.5	154.4	17.2	-24.5	0	0	0	0	109.1
866	A	26.1	Very low	26.9	Very low	90 Å²	90	144.9 Å²	144.9	74%	0.744	80%	0.802	S	S	*	*			trans	54.3	141.3	152.2	0	0	0	0	0	119.6
867	S	26.5	Very low	26.9	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	80%	0.799	S	S	*	*				-170.5	163.9	56.5	-62.5	0	0	0	0	113.8
868	R	28.4	Very low	26.2	Very low	240 Å²	240	141.3 Å²	141.3	91%	0.906	79%	0.793	S	S	*	*			trans	2.2	150.6	141.7	-71.4	176.6	173	164	-4.1	119.6
869	S	26.3	Very low	26.4	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	79%	0.791	S	S	*	*			cis	178.7	152.1	-5.7	49.5	0	0	0	0	112.9
870	A	27.9	Very low	26.5	Very low	90 Å²	90	144.5 Å²	144.5	74%	0.744	79%	0.787	S	S	*	*			trans	64.4	149.4	147	0	0	0	0	0	121.9
871	Y	25.5	Very low	26.6	Very low	218 Å²	218	142.2 Å²	142.2	86%	0.855	78%	0.784	S	S	*	*			trans	14.9	140.2	149.4	-74.9	-103.8	0	0	0	119.3
872	E	24.7	Very low	26.8	Very low	181 Å²	181	146.8 Å²	146.8	85%	0.846	79%	0.789	S	S	*	*				-159.1	-172.3	56.5	-149.8	163.9	-142.4	0	0	114
873	Q	27.7	Very low	26.8	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	80%	0.796	S	S	*	*			trans	-97.4	150.8	-175.9	-58	170.8	-56.2	0	0	113.2
874	T	25.2	Very low	26.7	Very low	149 Å²	149	145 Å²	145	91%	0.914	80%	0.795	S	S	*	*			trans	-157.6	142	142.3	-14.7	0	0	0	0	112.5
875	M	25.3	Very low	26.7	Very low	179 Å²	179	141.3 Å²	141.3	88%	0.882	79%	0.79	S	S	*	*			trans	-91.9	159.6	168.3	-79.5	-175.5	167.4	0	0	111.4
876	V	25.6	Very low	26.6	Very low	136 Å²	136	140.6 Å²	140.6	82%	0.824	79%	0.79	S	S	*	*			trans	161.5	134.8	145.2	151.2	0	0	0	0	106.4
877	N	25.7	Very low	26.6	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	79%	0.786	S	S	*	*			cis	-138.7	174.9	15.9	-145	-1	0	0	0	113.7
878	S	27.3	Very low	26.6	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	79%	0.792	S	S	*	*			trans	-89.5	159.9	-178.1	58.2	0	0	0	0	115.4
879	E	28.4	Very low	27.1	Very low	169 Å²	169	139 Å²	139	79%	0.79	78%	0.782	S	S	*	*				-162.3	144	119.4	-114.1	-177.9	-150	0	0	115.8
880	N	28.4	Very low	27.2	Very low	124 Å²	124	140 Å²	140	66%	0.663	78%	0.784	S	S	*	*			trans	66.9	91.4	150.8	-65.1	-42.1	0	0	0	124.9
881	T	26.1	Very low	27.4	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	79%	0.791	S	S	*	*				69.2	97.3	110.7	-48.8	0	0	0	0	122.6
882	Y	28.4	Very low	27.3	Very low	217 Å²	217	140.7 Å²	140.7	85%	0.851	79%	0.789	S	S	*	*				42.2	129.8	127.5	-81.6	-78.9	0	0	0	124.8
883	S	26.7	Very low	27.4	Very low	118 Å²	118	136.8 Å²	136.8	83%	0.825	78%	0.781	S	S	*	*			trans	105.7	150.9	130.2	-73.3	0	0	0	0	121.3
884	S	27.9	Very low	27.3	Very low	130 Å²	130	135.3 Å²	135.3	91%	0.909	78%	0.778	S	S	*	*			trans	-107.2	150.1	-171	177	0	0	0	0	112.5
885	G	25.9	Very low	27.5	Very low	62 Å²	62	134.9 Å²	134.9	64%	0.639	77%	0.766	S	S	*	*			trans	157	111.9	164.5	0	0	0	0	0	118
886	S	24.9	Very low	27.6	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	76%	0.76	S	S	*	*			trans	50.2	105.3	144.2	65.2	0	0	0	0	122.7
887	S	26.4	Very low	27.7	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	75%	0.754	S	S	*	*				53.9	112.8	123	66.5	0	0	0	0	123.9
888	F	26.7	Very low	28	Very low	202 Å²	202	131.6 Å²	131.6	89%	0.886	75%	0.754	S	S	*	*			trans	65.1	162.1	146.4	-61.4	-59.5	0	0	0	120
889	P	38.7	Very low	28.1	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	77%	0.765	S	S	*	*			cis	-133.7	160.5	-3.1	36.6	-18	0	0	0	118.4
890	V	29	Very low	28.2	Very low	122 Å²	122	132.5 Å²	132.5	74%	0.739	77%	0.766	S	S	*	*			trans	60	123.4	141.3	172.9	0	0	0	0	121.3
891	P	30.1	Very low	28.2	Very low	135 Å²	135	135.9 Å²	135.9	88%	0.877	78%	0.775	S	S	*	*				-121.4	-171.5	104.6	-2.3	23.6	0	0	0	115.2
892	K	25.1	Very low	28.5	Very low	188 Å²	188	136.3 Å²	136.3	82%	0.817	78%	0.777	S	S	*	*			trans	-109.8	151.4	-163.1	-64.5	179.8	174.7	-179.6	0	116.3
893	S	25.4	Very low	28.6	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	77%	0.771	S	S	*	*			trans	10.6	139.2	145.5	66.8	0	0	0	0	120
894	L	25.6	Very low	28.9	Very low	139 Å²	139	133.3 Å²	133.3	73%	0.728	77%	0.766	S	S	*	*				-157.2	153.7	78	-143.1	74.1	0	0	0	113.3
895	Q	29.3	Very low	29.2	Very low	141 Å²	141	132 Å²	132	66%	0.659	75%	0.745	S	S	*	*			trans	14	143.7	151.1	-65	177.3	-75.2	0	0	120.3
896	E	28.4	Very low	29.7	Very low	162 Å²	162	134.7 Å²	134.7	76%	0.757	74%	0.744	S	S	*	*			cis	-171	168.5	0.3	-117.4	160.3	-151.7	0	0	107.5
897	A	28.5	Very low	30.2	Very low	84 Å²	84	133 Å²	133	69%	0.694	73%	0.728	S	S	*	*			cis	-147.7	176.1	-2	0	0	0	0	0	109.3
898	N	31.2	Very low	30.5	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	72%	0.722	S	S	*	*			trans	-117.4	150.7	-175.3	-72.6	-17.8	0	0	0	114.1
899	A	28.5	Very low	31	Very low	107 Å²	107	130.2 Å²	130.2	88%	0.884	71%	0.714	S	S	*	*			trans	-101.4	125.6	150.4	0	0	0	0	0	107.7
900	E	31	Very low	30.6	Very low	175 Å²	175	135.2 Å²	135.2	82%	0.818	72%	0.719	S	S	*	*			trans	-105.3	141.8	-165.8	-158.5	158.3	-116.9	0	0	112.5
901	K	29.6	Very low	31	Very low	194 Å²	194	132.6 Å²	132.6	84%	0.843	71%	0.706	S	S	*	*			trans	-111.5	104.3	-168.7	-167.7	178.1	-174.8	-179.6	0	110.2
902	V	30.6	Very low	31.1	Very low	125 Å²	125	131.9 Å²	131.9	76%	0.758	70%	0.699	S	S	*	*			trans	-65.2	137.2	-178.3	-177.6	0	0	0	0	111
903	T	31	Very low	31.5	Very low	120 Å²	120	127.1 Å²	127.1	74%	0.736	69%	0.69	S	S	*	*			trans	-122	140.7	169.5	46.7	0	0	0	0	110.3
904	Q	33.9	Very low	32	Very low	152 Å²	152	127.2 Å²	127.2	71%	0.71	69%	0.69	S	S	*	*			trans	-102	151.8	175	-71.4	175	-50.3	0	0	110.4
905	E	33	Very low	32.4	Very low	102 Å²	102	132 Å²	132	48%	0.477	70%	0.698	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.3	126.9	178.9	-168.7	171.4	-135.3	0	0	107.5	R931	E905-R931 IonicContact OE1-NH1 2.64Å; E905-R931 PolarHBondContact OE1-NH1 3.49Å; E905-R931 VanDerWaalsContact OE1-NH1 3.08Å; E905-R931 WeakPolarHBondContact OE2-CD 3.31Å; E905-R931 IonicContact OE2-CZ 2.56Å; E905-R931 IonicContact OE2-NE 2.68Å; E905-R931 IonicContact OE2-NH1 3.1Å; E905-R931 PolarHBondContact OE2-NH1 3.49Å
906	I	37.2	Very low	32.8	Very low	120 Å²	120	135.1 Å²	135.1	62%	0.615	71%	0.713	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.6	126.4	-172.8	-58.8	174.7	0	0	0	108.5
907	V	34.2	Very low	32.9	Very low	75 Å²	75	131.5 Å²	131.5	46%	0.455	71%	0.711	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.5	121.6	177.7	-175.3	0	0	0	0	109.1	I934 T936	V907-I934 PolarHBondContact N-O 2.89Å; V907-T936 PolarHBondContact O-N 2.99Å
908	T	34.6	Very low	33.2	Very low	87 Å²	87	137.1 Å²	137.1	53%	0.534	72%	0.723	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.3	112.8	179.9	-47.1	0	0	0	0	108.9
909	E	35.4	Very low	33.1	Very low	153 Å²	153	139.7 Å²	139.7	72%	0.715	73%	0.727	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.3	142.8	170.1	-69.2	-159.1	128.6	0	0	110.5
910	R	31.6	Very low	33.1	Very low	212 Å²	212	141.1 Å²	141.1	80%	0.8	72%	0.724	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.4	121.8	173.8	-69.8	-178.1	176.4	-178	-1.8	108.2
911	S	36.5	Very low	33	Very low	68 Å²	68	137 Å²	137	48%	0.476	72%	0.721	S	S	.	*			trans	-117.7	141.8	171.6	77.1	0	0	0	0	110.4
912	V	32.8	Very low	33	Very low	119 Å²	119	134.2 Å²	134.2	72%	0.721	72%	0.72	S	S	*	*			trans	-128.3	113.6	173.8	-179.4	0	0	0	0	106.3	Y940	V912-Y940 HydrophobicContact CG2-CD2 4.47Å
913	S	33.8	Very low	33	Very low	89 Å²	89	134.1 Å²	134.1	62%	0.622	72%	0.722	S	S	*	*			trans	-112.1	113.3	-176.8	-171.2	0	0	0	0	109.8
914	S	35.8	Very low	33.3	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	73%	0.728	S	S	*	*			trans	-117.6	114.8	170.3	58.1	0	0	0	0	109.8
915	R	33.7	Very low	33.2	Very low	238 Å²	238	134.5 Å²	134.5	90%	0.898	73%	0.73	S	S	*	*	S	Bend	trans	73.1	160.6	-176.3	-54.7	-177.5	171.1	-169	-3.7	115.5	A917	R915-A917 PolarHBondContact O-N 3.46Å
916	Q	38.3	Very low	33.3	Very low	208 Å²	208	136.4 Å²	136.4	97%	0.972	74%	0.743	S	S	*	*			trans	-76.1	112.7	-163.6	-68.3	169.1	-46.2	0	0	113.1
917	A	29.5	Very low	33.3	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	74%	0.736	S	S	*	*			trans	-141.3	118.1	157.1	0	0	0	0	0	109	R915 K919	R915-A917 PolarHBondContact O-N 3.46Å; A917-K919 PolarHBondContact O-N 2.93Å; A917-K919 VanDerWaalsContact O-N 3.08Å
918	Q	35.4	Very low	33.3	Very low	202 Å²	202	137.5 Å²	137.5	94%	0.944	76%	0.756	S	S	*	*			trans	-78.3	95.3	-175.6	-169.3	173.8	13.1	0	0	110.2
919	K	27.8	Very low	33.3	Very low	201 Å²	201	136.7 Å²	136.7	87%	0.874	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-84.9	129.7	-177	-144.9	177.1	-174.2	-175.3	0	110.8	A917	A917-K919 PolarHBondContact O-N 2.93Å; A917-K919 VanDerWaalsContact O-N 3.08Å
920	V	29.6	Very low	33.6	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-76.6	136.9	177.1	178.9	0	0	0	0	109.7
921	A	29.2	Very low	33.9	Very low	90 Å²	90	132.7 Å²	132.7	74%	0.744	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66.2	131	178.4	0	0	0	0	0	111.9
922	T	28.4	Very low	34	Very low	134 Å²	134	133.6 Å²	133.6	82%	0.822	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-75.1	129.5	169.3	23.4	0	0	0	0	110.5
923	P	31.8	Very low	34.3	Very low	123 Å²	123	131.8 Å²	131.8	80%	0.799	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70.8	140.6	175.5	29.4	-34	0	0	0	111.3
924	L	35.8	Very low	34.5	Very low	165 Å²	165	130.1 Å²	130.1	86%	0.864	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-68.7	153.3	171	-82.4	156.7	0	0	0	111.4
925	P	33.8	Very low	34.6	Very low	116 Å²	116	127 Å²	127	75%	0.753	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-66.3	149.2	174.3	-18.5	32.3	0	0	0	113.1
926	D	33.2	Very low	34.9	Very low	141 Å²	141	117.5 Å²	117.5	75%	0.754	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.5	138	177.6	-96.1	-53.9	0	0	0	112.9	V928	D926-V928 PolarHBondContact O-N 2.92Å
927	P	37.8	Very low	34.9	Very low	73 Å²	73	112.8 Å²	112.8	47%	0.474	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-83.3	118.5	-171.9	31.5	-34.7	0	0	0	113.3
928	V	35.3	Very low	35.4	Very low	145 Å²	145	109.5 Å²	109.5	88%	0.879	62%	0.624	S	S	*	*			trans	-126.3	37.7	170.1	-159.5	0	0	0	0	112	D926	D926-V928 PolarHBondContact O-N 2.92Å
929	A	34.5	Very low	35.6	Very low	70 Å²	70	101.2 Å²	101.2	58%	0.579	59%	0.588	S	S	*	*	S	Bend	trans	-162.5	141.5	158.9	0	0	0	0	0	109.7	R931	A929-R931 PolarHBondContact O-N 3.43Å
930	S	40.2	Very low	36	Very low	130 Å²	130	97.1 Å²	97.1	91%	0.909	57%	0.568	S	S	*	*			trans	-77.5	110.4	169.6	47.9	0	0	0	0	110.2
931	R	38.4	Very low	36.5	Very low	152 Å²	152	93.3 Å²	93.3	57%	0.574	55%	0.545	S	S	*	.			trans	-128.1	144.7	170.7	-68.7	-174.2	179	-178.9	-0.8	109.3	E905 A929	E905-R931 IonicContact OE1-NH1 2.64Å; E905-R931 PolarHBondContact OE1-NH1 3.49Å; E905-R931 VanDerWaalsContact OE1-NH1 3.08Å; E905-R931 WeakPolarHBondContact OE2-CD 3.31Å; E905-R931 IonicContact OE2-CZ 2.56Å; E905-R931 IonicContact OE2-NE 2.68Å; E905-R931 IonicContact OE2-NH1 3.1Å; E905-R931 PolarHBondContact OE2-NH1 3.49Å; A929-R931 PolarHBondContact O-N 3.43Å
932	N	39.8	Very low	36.9	Very low	86 Å²	86	95.8 Å²	95.8	46%	0.46	55%	0.551	S	S	.	*			trans	-77.1	123.6	167.1	-68.7	-11.8	0	0	0	108.3
933	I	38	Very low	37.3	Very low	82 Å²	82	91.6 Å²	91.6	42%	0.421	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.4	179.4	-59.8	174.2	0	0	0	108.7	L961	I933-L961 HydrophobicContact CB-CD1 4.5Å
934	I	38.6	Very low	37.7	Very low	53 Å²	53	90.4 Å²	90.4	27%	0.272	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120	167.1	-59	174.6	0	0	0	106.9	V907	V907-I934 PolarHBondContact N-O 2.89Å
935	A	37.1	Very low	37.6	Very low	36 Å²	36	88.8 Å²	88.8	30%	0.298	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.3	176.4	0	0	0	0	0	109.5	I962 T964	A935-I962 PolarHBondContact N-O 3.21Å; A935-T964 PolarHBondContact O-N 3.03Å; A935-T964 VanDerWaalsContact O-N 3.17Å
936	T	39.5	Very low	37.8	Very low	38 Å²	38	91.4 Å²	91.4	23%	0.233	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.7	174.8	-53.8	0	0	0	0	109.4	V907 T964	V907-T936 PolarHBondContact O-N 2.99Å; T936-T964 WeakPolarHBondContact CA-O 3.44Å; T936-T964 PolarHBondContact OG1-OG1 3.32Å
937	E	39.6	Very low	38	Very low	109 Å²	109	89.6 Å²	89.6	51%	0.509	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.9	176.7	-172.3	173.9	-176.8	0	0	110.4	T964 R966	E937-T964 PolarHBondContact N-O 2.94Å; E937-R966 PolarHBondContact O-N 3.35Å
938	T	40	Very low	37.9	Very low	18 Å²	18	91.1 Å²	91.1	11%	0.11	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.4	-179	-46.5	0	0	0	0	109.5	Y940 Y968	T938-Y940 HydrophobicContact CG2-CE2 3.93Å; T938-Y968 HydrophobicContact CG2-CE2 3.88Å
939	S	38.7	Very low	37.7	Very low	27 Å²	27	89.8 Å²	89.8	19%	0.189	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.3	-178.9	67.2	0	0	0	0	112.8	R966 Y968	S939-R966 PolarHBondContact N-O 3.17Å; S939-R966 PolarHBondContact OG-O 3.26Å; S939-Y968 PolarHBondContact O-N 3.12Å; S939-Y968 VanDerWaalsContact O-N 3.16Å
940	Y	37.8	Very low	37.8	Very low	116 Å²	116	91 Å²	91	46%	0.455	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.2	-176.7	-59.5	-86.4	0	0	0	109.6	V912 T938 Y968	V912-Y940 HydrophobicContact CG2-CD2 4.47Å; T938-Y940 HydrophobicContact CG2-CE2 3.93Å; Y940-Y968 AromaticContact CD1-CD2 3.68Å; Y940-Y968 HydrophobicContact CD1-CD2 3.68Å; Y940-Y968 HydrophobicContact CD1-CE2 4.45Å; Y940-Y968 HydrophobicContact CD1-CG 4.22Å; Y940-Y968 AromaticContact CE1-CD2 3.54Å; Y940-Y968 HydrophobicContact CE1-CD2 3.54Å; Y940-Y968 AromaticContact CE1-CE2 3.85Å; Y940-Y968 HydrophobicContact CE1-CE2 3.85Å; Y940-Y968 HydrophobicContact CE1-CG 4.29Å
941	V	39.6	Very low	37.6	Very low	56 Å²	56	90.5 Å²	90.5	34%	0.339	52%	0.524	S	S	.	.			trans	-119.2	97.3	-176.6	-175.8	0	0	0	0	110.8	G943 Y968 A969	V941-G943 PolarHBondContact O-N 3.22Å; V941-Y968 PolarHBondContact N-O 2.57Å; V941-Y968 VanDerWaalsContact N-O 3.1Å; V941-A969 HydrophobicContact CB-CB 4.41Å
942	T	36.7	Very low	37.3	Very low	142 Å²	142	90.7 Å²	90.7	87%	0.871	54%	0.535	S	S	*	.			trans	-95.2	50.1	179.8	46.8	0	0	0	0	112.7
943	G	36.2	Very low	37.1	Very low	46 Å²	46	93.1 Å²	93.1	47%	0.474	55%	0.547	S	S	.	.	S	Bend	trans	-175.6	154.5	177.1	0	0	0	0	0	114.3	V941	V941-G943 PolarHBondContact O-N 3.22Å
944	S	41.3	Very low	36.9	Very low	98 Å²	98	92 Å²	92	69%	0.685	56%	0.556	S	S	*	*	S	Bend	trans	-96.2	91.8	178.1	-174.9	0	0	0	0	111.4
945	T	34.3	Very low	36.6	Very low	130 Å²	130	96.2 Å²	96.2	80%	0.798	59%	0.587	S	S	*	*	S	Bend	trans	-177.5	120.3	149.8	39.6	0	0	0	0	110.8
946	M	36.3	Very low	36.7	Very low	172 Å²	172	105.5 Å²	105.5	85%	0.847	61%	0.614	S	S	*	*			trans	51.1	137.1	169.6	-67.6	-153	73.1	0	0	119.9
947	P	38.1	Very low	36.5	Very low	102 Å²	102	110.5 Å²	110.5	66%	0.662	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-73.4	160.9	172.7	32.9	-36	0	0	0	112.5
948	P	35.9	Very low	36.3	Very low	106 Å²	106	110.5 Å²	110.5	69%	0.688	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-63.3	152.2	173.2	27.9	-35.2	0	0	0	112.3	T950	P948-T950 PolarHBondContact O-N 2.8Å
949	S	32	Very low	36.4	Very low	117 Å²	117	118.5 Å²	118.5	82%	0.818	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-69.2	125.5	179.6	53.5	0	0	0	0	111.9
950	T	35.8	Very low	36.4	Very low	95 Å²	95	121.2 Å²	121.2	58%	0.583	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-53.7	138.5	-178.4	51.1	0	0	0	0	113.8	P948 I952	P948-T950 PolarHBondContact O-N 2.8Å; T950-I952 PolarHBondContact O-N 2.92Å
951	V	35.5	Very low	36.4	Very low	119 Å²	119	120 Å²	120	72%	0.721	70%	0.701	S	S	*	*			trans	-62.7	113.1	168.8	178.7	0	0	0	0	110	L953	V951-L953 HydrophobicContact CG1-CD2 4.14Å; V951-L953 PolarHBondContact O-N 2.84Å
952	I	32.7	Very low	36.5	Very low	156 Å²	156	122.4 Å²	122.4	80%	0.8	71%	0.71	S	S	*	*			trans	-82.2	97.2	175.9	-56.4	178.5	0	0	0	108.6	T950 G954	T950-I952 PolarHBondContact O-N 2.92Å; I952-G954 PolarHBondContact O-N 3.23Å
953	L	34.9	Very low	36.6	Very low	138 Å²	138	119.3 Å²	119.3	72%	0.723	69%	0.691	S	S	*	*			trans	-66.6	122.2	173.7	-65.8	175.6	0	0	0	110.4	V951	V951-L953 HydrophobicContact CG1-CD2 4.14Å; V951-L953 PolarHBondContact O-N 2.84Å
954	G	33.8	Very low	36.9	Very low	59 Å²	59	118.6 Å²	118.6	61%	0.608	68%	0.678	S	S	*	*			trans	-73.8	153.8	-179.3	0	0	0	0	0	112.9	I952 R956	I952-G954 PolarHBondContact O-N 3.23Å; G954-R956 PolarHBondContact O-N 2.91Å
955	P	33	Very low	36.9	Very low	140 Å²	140	118 Å²	118	91%	0.909	66%	0.664	S	S	*	*	S	Bend	trans	-73.2	13.7	-162.6	-20.4	34.5	0	0	0	117.7
956	R	38.9	Very low	37.4	Very low	231 Å²	231	115.7 Å²	115.7	87%	0.872	64%	0.641	S	S	*	*			trans	-154.6	89.9	-170.6	-69.4	-169.8	173	-165.3	-3.6	114.8	G954	G954-R956 PolarHBondContact O-N 2.91Å
957	Q	35	Very low	37.7	Very low	143 Å²	143	110.4 Å²	110.4	67%	0.668	62%	0.618	S	S	*	*			trans	-167.6	174.4	141.1	-107.1	175	8.7	0	0	109.3
958	P	35.6	Very low	37.9	Very low	110 Å²	110	109.3 Å²	109.3	71%	0.714	60%	0.601	S	S	*	*			trans	-89.8	-178	-142.1	36.6	-40	0	0	0	117
959	Q	42.5	Very low	38.1	Very low	185 Å²	185	106.5 Å²	106.5	86%	0.864	59%	0.587	S	S	*	*	S	Bend	trans	-65.8	157.4	-172.2	-65	153.9	-31.9	0	0	113.9
960	S	38.5	Very low	38.5	Very low	85 Å²	85	104.3 Å²	104.3	59%	0.594	57%	0.57	S	S	*	*			trans	75.6	65.6	176.6	-53.4	0	0	0	0	116.6
961	L	37.8	Very low	38.7	Very low	90 Å²	90	103 Å²	103	47%	0.471	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.6	133.9	163.8	-175.6	72.4	0	0	0	109.6	I933 V963	I933-L961 HydrophobicContact CB-CD1 4.5Å; L961-V963 HydrophobicContact CD2-CG2 3.64Å; L961-V963 HydrophobicContact CG-CG2 3.8Å
962	I	40.9	Very low	38.9	Very low	106 Å²	106	102.6 Å²	102.6	54%	0.544	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.9	128.6	168.6	-60.1	176.2	0	0	0	107.7	A935	A935-I962 PolarHBondContact N-O 3.21Å
963	V	39.6	Very low	39.2	Very low	77 Å²	77	98.3 Å²	98.3	47%	0.467	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	117.3	-176.7	-175.9	0	0	0	0	109.3	L961	L961-V963 HydrophobicContact CD2-CG2 3.64Å; L961-V963 HydrophobicContact CG-CG2 3.8Å
964	T	43.2	Very low	39.4	Very low	31 Å²	31	97.4 Å²	97.4	19%	0.19	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	115.4	174.1	18.9	0	0	0	0	110.1	A935 T936 E937	A935-T964 PolarHBondContact O-N 3.03Å; A935-T964 VanDerWaalsContact O-N 3.17Å; T936-T964 WeakPolarHBondContact CA-O 3.44Å; T936-T964 PolarHBondContact OG1-OG1 3.32Å; E937-T964 PolarHBondContact N-O 2.94Å
965	E	41	Very low	39.3	Very low	87 Å²	87	101 Å²	101	41%	0.407	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.7	120.9	-176.5	179.5	-168.7	-167.5	0	0	109.2	V967 R1017	E965-V967 HydrophobicContact CG-CG2 4.04Å; E965-R1017 IonicContact OE1-NH2 3.84Å; E965-R1017 IonicContact OE2-CZ 2.79Å; E965-R1017 IonicContact OE2-NE 2.63Å; E965-R1017 PolarHBondContact OE2-NE 3.35Å; E965-R1017 IonicContact OE2-NH2 3.77Å; E965-R1017 PolarHBondContact OE2-NH2 3.28Å
966	R	45.2	Very low	39.3	Very low	81 Å²	81	102.3 Å²	102.3	31%	0.306	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.6	127.1	176.1	-64.4	-170.9	-176.5	-160.7	4	111.1	E937 S939 E1018 E1020	E937-R966 PolarHBondContact O-N 3.35Å; S939-R966 PolarHBondContact N-O 3.17Å; S939-R966 PolarHBondContact OG-O 3.26Å; R966-E1018 IonicContact NH2-OE2 3.53Å; R966-E1020 IonicContact CZ-OE2 3.18Å; R966-E1020 VanDerWaalsContact CZ-OE2 3.32Å; R966-E1020 IonicContact NE-OE2 3.36Å; R966-E1020 IonicContact NH1-OE2 2.68Å; R966-E1020 PolarHBondContact NH1-OE2 2.71Å
967	V	42.1	Very low	38.9	Very low	60 Å²	60	98 Å²	98	36%	0.364	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.3	118.3	-171.2	-175.7	0	0	0	0	110.1	E965	E965-V967 HydrophobicContact CG-CG2 4.04Å
968	Y	42.2	Very low	38.6	Very low	80 Å²	80	97.3 Å²	97.3	31%	0.314	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.1	108.6	176.2	-59.6	-82.5	0	0	0	110.5	T938 S939 Y940 V941 F1022	T938-Y968 HydrophobicContact CG2-CE2 3.88Å; S939-Y968 PolarHBondContact O-N 3.12Å; S939-Y968 VanDerWaalsContact O-N 3.16Å; Y940-Y968 AromaticContact CD1-CD2 3.68Å; Y940-Y968 HydrophobicContact CD1-CD2 3.68Å; Y940-Y968 HydrophobicContact CD1-CE2 4.45Å; Y940-Y968 HydrophobicContact CD1-CG 4.22Å; Y940-Y968 AromaticContact CE1-CD2 3.54Å; Y940-Y968 HydrophobicContact CE1-CD2 3.54Å; Y940-Y968 AromaticContact CE1-CE2 3.85Å; Y940-Y968 HydrophobicContact CE1-CE2 3.85Å; Y940-Y968 HydrophobicContact CE1-CG 4.29Å; V941-Y968 PolarHBondContact N-O 2.57Å; V941-Y968 VanDerWaalsContact N-O 3.1Å; Y968-F1022 HydrophobicContact CD1-CD2 4.4Å; Y968-F1022 HydrophobicContact CE1-CD2 4.19Å; Y968-F1022 HydrophobicContact CE1-CE2 4.21Å
969	A	40.7	Very low	38.3	Very low	46 Å²	46	100.2 Å²	100.2	38%	0.38	56%	0.559	S	S	.	*			trans	-151.8	152.2	-178.1	0	0	0	0	0	112.5	V941	V941-A969 HydrophobicContact CB-CB 4.41Å
970	P	39.4	Very low	37.8	Very low	72 Å²	72	95.9 Å²	95.9	47%	0.468	56%	0.555	S	S	.	*			trans	-75.7	149.1	177.8	31.1	-35.2	0	0	0	113.2	S972	P970-S972 VanDerWaalsContact C-N 3.29Å; P970-S972 PolarHBondContact O-N 3.38Å; P970-S972 VanDerWaalsContact O-N 3.1Å
971	A	40.7	Very low	37.5	Very low	67 Å²	67	99.8 Å²	99.8	55%	0.554	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-61.9	-22.7	-166.3	0	0	0	0	0	116.5	A973 L1023	A971-A973 PolarHBondContact O-N 2.8Å; A971-L1023 HydrophobicContact CB-CD2 4.14Å
972	S	38.2	Very low	37.4	Very low	110 Å²	110	105.4 Å²	105.4	77%	0.769	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-76.1	12.6	-174.7	65	0	0	0	0	115.2	P970	P970-S972 VanDerWaalsContact C-N 3.29Å; P970-S972 PolarHBondContact O-N 3.38Å; P970-S972 VanDerWaalsContact O-N 3.1Å
973	A	40.9	Very low	37.2	Very low	66 Å²	66	103.1 Å²	103.1	55%	0.545	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-109.9	4.7	-177.5	0	0	0	0	0	114	A971	A971-A973 PolarHBondContact O-N 2.8Å
974	L	37.4	Very low	36.9	Very low	120 Å²	120	106.3 Å²	106.3	63%	0.628	62%	0.615	S	S	*	*			trans	-84.7	113.2	-179.2	-64.4	177.4	0	0	0	111.5	R1019	L974-R1019 VanDerWaalsContact CD2-NH2 3.27Å
975	V	33.1	Very low	36.5	Very low	135 Å²	135	110 Å²	110	82%	0.818	64%	0.637	S	S	*	*			trans	-125.6	128	166.9	177.3	0	0	0	0	107.2	Q977	V975-Q977 PolarHBondContact O-N 3.32Å
976	D	32.8	Very low	36.2	Very low	166 Å²	166	109.2 Å²	109.2	89%	0.888	64%	0.639	S	S	*	*			trans	-63.2	133.7	178.6	-74.8	-42.7	0	0	0	111.8
977	Q	30.5	Very low	35.7	Very low	140 Å²	140	110.3 Å²	110.3	65%	0.654	65%	0.654	S	S	*	*			trans	-126.4	116.5	173	-166.7	167.5	11.2	0	0	109.4	V975 Y979	V975-Q977 PolarHBondContact O-N 3.32Å; Q977-Y979 HydrophobicContact CB-CE2 4.3Å; Q977-Y979 HydrophobicContact CG-CE2 4.24Å; Q977-Y979 WeakPolarHBondContact O-CD2 3.45Å; Q977-Y979 PolarHBondContact O-N 2.7Å
978	P	28.8	Very low	35.3	Very low	130 Å²	130	110.4 Å²	110.4	84%	0.844	66%	0.655	S	S	*	*			trans	-76.4	114.3	-172.8	29.1	-34	0	0	0	111.3
979	Y	29.9	Very low	34.9	Very low	171 Å²	171	112 Å²	112	67%	0.671	67%	0.665	S	S	*	*			trans	-97.4	111.5	172.7	-80.1	-87.1	0	0	0	110.9	Q977	Q977-Y979 HydrophobicContact CB-CE2 4.3Å; Q977-Y979 HydrophobicContact CG-CE2 4.24Å; Q977-Y979 WeakPolarHBondContact O-CD2 3.45Å; Q977-Y979 PolarHBondContact O-N 2.7Å
980	A	30.6	Very low	34.6	Very low	94 Å²	94	117.5 Å²	117.5	78%	0.777	68%	0.676	S	S	*	*			trans	-92.4	118.2	170.5	0	0	0	0	0	110.3
981	N	32.3	Very low	34.3	Very low	166 Å²	166	119.2 Å²	119.2	89%	0.888	69%	0.685	S	S	*	*			trans	-164.4	155.3	153.7	-105	-23.6	0	0	0	110.5	G983	N981-G983 PolarHBondContact O-N 3.2Å
982	E	36.8	Very low	33.9	Very low	208 Å²	208	122.1 Å²	122.1	97%	0.972	69%	0.69	S	S	*	*			trans	-83	102.5	-171.8	-62.1	178.5	142.6	0	0	111.7
983	G	36.4	Very low	33.5	Very low	59 Å²	59	123.7 Å²	123.7	61%	0.608	69%	0.685	S	S	*	*	S	Bend	trans	-172.5	146.1	173.5	0	0	0	0	0	112.5	N981 V985	N981-G983 PolarHBondContact O-N 3.2Å; G983-V985 PolarHBondContact O-N 2.71Å
984	T	33.6	Very low	32.9	Very low	143 Å²	143	125.5 Å²	125.5	88%	0.877	69%	0.691	S	S	*	*			trans	-77.7	87.4	-178.1	-41.5	0	0	0	0	110.7
985	V	35.1	Very low	32.5	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.655	70%	0.703	S	S	*	*			trans	-83.7	124.1	176.8	-173.7	0	0	0	0	110.1	G983 V987	G983-V985 PolarHBondContact O-N 2.71Å; V985-V987 HydrophobicContact CG1-CG2 3.77Å
986	V	34.2	Very low	32.3	Very low	72 Å²	72	126.3 Å²	126.3	44%	0.436	71%	0.705	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	119.4	165.7	-179.3	0	0	0	0	107.7	T988 V1014	V986-T988 HydrophobicContact CG1-CG2 4.43Å; V986-V1014 HydrophobicContact CB-CG1 4.33Å; V986-V1014 HydrophobicContact CG2-CG1 4.22Å
987	V	34.6	Very low	32.1	Very low	104 Å²	104	122.7 Å²	122.7	63%	0.63	71%	0.706	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.3	119.9	176.5	-176.1	0	0	0	0	108.8	V985	V985-V987 HydrophobicContact CG1-CG2 3.77Å
988	T	34.2	Very low	31.9	Very low	62 Å²	62	119.9 Å²	119.9	38%	0.38	72%	0.716	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.1	99.9	175.1	47.8	0	0	0	0	109.1	V986	V986-T988 HydrophobicContact CG1-CG2 4.43Å
989	E	33.8	Very low	31.8	Very low	112 Å²	112	119.3 Å²	119.3	52%	0.523	71%	0.714	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	138.4	179.1	-166.7	156	-120.5	0	0	110.9	V991 R1019	E989-V991 HydrophobicContact CG-CG2 4.29Å; E989-R1019 VanDerWaalsContact OE1-CD 3.26Å; E989-R1019 WeakPolarHBondContact OE1-CD 3.29Å; E989-R1019 IonicContact OE1-CZ 3.71Å; E989-R1019 IonicContact OE1-NE 3.33Å; E989-R1019 IonicContact OE1-NH1 2.67Å; E989-R1019 PolarHBondContact OE1-NH1 2.97Å
990	R	33.8	Very low	31.8	Very low	162 Å²	162	119 Å²	119	61%	0.611	73%	0.725	S	S	*	*			trans	-118.7	112.7	-179.4	178.7	-177	-85	174.6	-5.9	109.5
991	V	33.6	Very low	32.4	Very low	108 Å²	108	120.1 Å²	120.1	66%	0.655	72%	0.724	S	S	*	*			trans	-118.6	144.1	178	-175.5	0	0	0	0	109	E989	E989-V991 HydrophobicContact CG-CG2 4.29Å
992	I	31.4	Very low	31.9	Very low	128 Å²	128	120.3 Å²	120.3	66%	0.656	72%	0.724	S	S	*	*			trans	-133.9	118	-174.8	-54.3	177.3	0	0	0	109.3
993	Q	30.4	Very low	31.5	Very low	144 Å²	144	119.5 Å²	119.5	67%	0.673	72%	0.72	S	S	*	*			trans	-153	146.8	176.9	-162.9	165	21.8	0	0	110.1
994	P	28.5	Very low	30.9	Very low	104 Å²	104	119.9 Å²	119.9	68%	0.675	72%	0.724	S	S	*	*			trans	-102	147.4	-160.1	37.4	-35.9	0	0	0	117.6
995	H	29	Very low	30.5	Very low	189 Å²	189	119.6 Å²	119.6	88%	0.875	72%	0.722	S	S	*	*			trans	68.1	129.1	161.7	-58.4	-65.4	0	0	0	121.9
996	G	29.1	Very low	29.9	Very low	82 Å²	82	123.7 Å²	123.7	85%	0.845	73%	0.734	S	S	*	*			trans	147.2	98.1	139.6	0	0	0	0	0	119.6
997	G	27.4	Very low	29.8	Very low	90 Å²	90	128.6 Å²	128.6	93%	0.928	75%	0.752	S	S	*	*			trans	85	153	156.7	0	0	0	0	0	117.8
998	G	27.3	Very low	29.5	Very low	82 Å²	82	131.7 Å²	131.7	85%	0.845	76%	0.764	S	S	*	*			trans	-165.9	175.6	-179.8	0	0	0	0	0	115.2
999	S	27	Very low	29.1	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	79%	0.787	S	S	*	*			trans	-166.8	125.7	171.4	59.8	0	0	0	0	113.4
1000	N	28.7	Very low	28.9	Very low	166 Å²	166	140 Å²	140	89%	0.888	80%	0.803	S	S	*	*			trans	25.4	155.1	155	-76.8	15.2	0	0	0	124.7
1001	P	43	Very low	28.6	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	81%	0.809	S	S	*	*			trans	-99.7	168.7	-159.6	40.2	-37.7	0	0	0	116
1002	L	22.9	Very low	28.3	Very low	170 Å²	170	136.9 Å²	136.9	89%	0.89	81%	0.814	S	S	*	*			trans	-145.6	162.1	162.9	-100.8	170	0	0	0	111.3
1003	E	26.9	Very low	28.4	Very low	191 Å²	191	141.8 Å²	141.8	89%	0.893	83%	0.826	S	S	*	*			trans	-87.3	168.1	-167.3	-56	164	97.4	0	0	114.8
1004	G	24.6	Very low	28.4	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	82%	0.823	S	S	*	*			trans	133.3	86.2	142	0	0	0	0	0	119.4
1005	T	24.4	Very low	28.5	Very low	138 Å²	138	141.7 Å²	141.7	85%	0.847	83%	0.825	S	S	*	*			trans	21.7	129.8	138.7	26.6	0	0	0	0	121.4
1006	Q	24.1	Very low	28.7	Very low	193 Å²	193	136.3 Å²	136.3	90%	0.902	81%	0.805	S	S	*	*				-170.2	160	98.7	-107.1	175.3	18.1	0	0	114.9
1007	H	31	Very low	29	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.815	79%	0.792	S	S	*	*			trans	-95.3	143.5	177	-144.3	-57.2	0	0	0	109.7
1008	L	27.8	Very low	29.5	Very low	169 Å²	169	139.6 Å²	139.6	89%	0.885	77%	0.768	S	S	*	*			trans	-129.9	162.7	168.1	-88.1	169.1	0	0	0	111.2
1009	Q	25.6	Very low	29.9	Very low	183 Å²	183	141.4 Å²	141.4	86%	0.855	75%	0.749	S	S	*	*			trans	-111.3	173.5	-171.9	-68.7	-174.4	-59.6	0	0	113
1010	D	31.3	Very low	30.2	Very low	164 Å²	164	138.3 Å²	138.3	88%	0.877	72%	0.722	S	S	*	*			trans	-56.2	139.2	-164.7	-51.4	-82.2	0	0	0	116.4
1011	A	26.1	Very low	30.5	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	70%	0.701	S	S	*	*			trans	-141.7	141	164.9	0	0	0	0	0	110.4	Y1013	A1011-Y1013 PolarHBondContact O-N 2.73Å
1012	P	28.7	Very low	30	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	70%	0.695	S	S	*	*			trans	-83.3	107.3	-168.2	31.1	-35	0	0	0	114.5
1013	Y	32.7	Very low	30.6	Very low	231 Å²	231	131.9 Å²	131.9	91%	0.906	68%	0.68	S	S	*	*			trans	68.1	135.5	160.3	-54.4	-72.5	0	0	0	118.7	A1011	A1011-Y1013 PolarHBondContact O-N 2.73Å
1014	V	31.5	Very low	31	Very low	102 Å²	102	126.4 Å²	126.4	62%	0.618	67%	0.668	S	S	*	*			trans	-121.6	135.6	-173.3	179.2	0	0	0	0	110.1	V986 V1016	V986-V1014 HydrophobicContact CB-CG1 4.33Å; V986-V1014 HydrophobicContact CG2-CG1 4.22Å; V1014-V1016 HydrophobicContact CB-CG2 4.41Å; V1014-V1016 HydrophobicContact CG1-CG2 3.94Å; V1014-V1016 PolarHBondContact O-N 3.24Å
1015	M	28.9	Very low	31.2	Very low	144 Å²	144	129.9 Å²	129.9	71%	0.709	68%	0.678	S	S	*	*			trans	-76.1	110.4	163.2	-92.4	-85.7	-73.4	0	0	108.9
1016	V	34.8	Very low	31.4	Very low	76 Å²	76	128.9 Å²	128.9	46%	0.461	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	121.7	175.4	-177.7	0	0	0	0	108.9	V1014 E1018	V1014-V1016 HydrophobicContact CB-CG2 4.41Å; V1014-V1016 HydrophobicContact CG1-CG2 3.94Å; V1014-V1016 PolarHBondContact O-N 3.24Å; V1016-E1018 HydrophobicContact CG1-CG 4.3Å
1017	R	35.6	Very low	31.9	Very low	153 Å²	153	125.4 Å²	125.4	58%	0.577	67%	0.674	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.5	99.8	169.4	-167.9	-179.5	-170.1	-169.8	4.1	108.6	E965	E965-R1017 IonicContact OE1-NH2 3.84Å; E965-R1017 IonicContact OE2-CZ 2.79Å; E965-R1017 IonicContact OE2-NE 2.63Å; E965-R1017 PolarHBondContact OE2-NE 3.35Å; E965-R1017 IonicContact OE2-NH2 3.77Å; E965-R1017 PolarHBondContact OE2-NH2 3.28Å
1018	E	36.1	Very low	32.5	Very low	88 Å²	88	120.8 Å²	120.8	41%	0.411	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.6	142.6	169.5	-65	-166.8	129.1	0	0	110.3	R966 V1016	R966-E1018 IonicContact NH2-OE2 3.53Å; V1016-E1018 HydrophobicContact CG1-CG 4.3Å
1019	R	35.8	Very low	32.9	Very low	121 Å²	121	119.3 Å²	119.3	46%	0.457	67%	0.671	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	99.2	174.1	-166	-170.3	-159.2	-177.6	8.2	109.5	L974 E989	L974-R1019 VanDerWaalsContact CD2-NH2 3.27Å; E989-R1019 VanDerWaalsContact OE1-CD 3.26Å; E989-R1019 WeakPolarHBondContact OE1-CD 3.29Å; E989-R1019 IonicContact OE1-CZ 3.71Å; E989-R1019 IonicContact OE1-NE 3.33Å; E989-R1019 IonicContact OE1-NH1 2.67Å; E989-R1019 PolarHBondContact OE1-NH1 2.97Å
1020	E	34.3	Very low	33.1	Very low	51 Å²	51	119 Å²	119	24%	0.238	67%	0.67	C	S	.	*			trans	-83.8	134.7	170.6	-61.7	-168.9	118.7	0	0	109.6	R966	R966-E1020 IonicContact CZ-OE2 3.18Å; R966-E1020 VanDerWaalsContact CZ-OE2 3.32Å; R966-E1020 IonicContact NE-OE2 3.36Å; R966-E1020 IonicContact NH1-OE2 2.68Å; R966-E1020 PolarHBondContact NH1-OE2 2.71Å
1021	S	34.6	Very low	33	Very low	66 Å²	66	115.9 Å²	115.9	46%	0.462	66%	0.659	S	S	.	*			trans	-141.5	139.8	173.3	68.2	0	0	0	0	110
1022	F	32.6	Very low	33	Very low	143 Å²	143	118.4 Å²	118.4	63%	0.627	67%	0.665	S	S	*	*			trans	-119.4	122	-177.4	-76.2	-90.8	0	0	0	110	Y968 A1024	Y968-F1022 HydrophobicContact CD1-CD2 4.4Å; Y968-F1022 HydrophobicContact CE1-CD2 4.19Å; Y968-F1022 HydrophobicContact CE1-CE2 4.21Å; F1022-A1024 PolarHBondContact O-N 3.23Å
1023	L	34.8	Very low	33	Very low	110 Å²	110	121.3 Å²	121.3	58%	0.576	67%	0.674	S	S	*	*			trans	-80.2	105.3	178.2	-66.3	174.9	0	0	0	110.4	A971	A971-L1023 HydrophobicContact CB-CD2 4.14Å
1024	A	35.7	Very low	32.7	Very low	76 Å²	76	114.7 Å²	114.7	63%	0.628	67%	0.667	S	S	*	*			trans	-72.2	137.7	161.7	0	0	0	0	0	109.6	F1022 S1026	F1022-A1024 PolarHBondContact O-N 3.23Å; A1024-S1026 PolarHBondContact O-N 3.31Å
1025	P	28.5	Very low	32.6	Very low	138 Å²	138	118.4 Å²	118.4	90%	0.896	68%	0.68	S	S	*	*			trans	-67.1	119.4	-174.3	26.2	-34.1	0	0	0	111.5
1026	S	29.7	Very low	32.6	Very low	118 Å²	118	116.5 Å²	116.5	83%	0.825	68%	0.678	S	S	*	*			trans	-127.3	150.9	166	57.5	0	0	0	0	109.3	A1024 G1028	A1024-S1026 PolarHBondContact O-N 3.31Å; S1026-G1028 PolarHBondContact O-N 3.33Å
1027	S	34.4	Very low	32.3	Very low	119 Å²	119	121.1 Å²	121.1	83%	0.832	70%	0.7	S	S	*	*			trans	-78.1	114.1	-158.4	55.1	0	0	0	0	114.4
1028	G	43.3	Very low	32	Very low	80 Å²	80	121.1 Å²	121.1	83%	0.825	71%	0.71	S	S	*	*			trans	68.2	50.8	137.2	0	0	0	0	0	118.2	S1026	S1026-G1028 PolarHBondContact O-N 3.33Å
1029	V	35.3	Very low	31.7	Very low	137 Å²	137	120.8 Å²	120.8	83%	0.83	72%	0.722	S	S	*	*			trans	-134.2	129.8	159	-174.7	0	0	0	0	109.2
1030	Q	30.7	Very low	31.4	Very low	176 Å²	176	122.6 Å²	122.6	82%	0.822	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-96.5	118.9	176.4	-167.1	175.9	17.4	0	0	109.4
1031	P	29.4	Very low	31.4	Very low	100 Å²	100	123.5 Å²	123.5	65%	0.649	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-79.5	142.4	-177.9	31.5	-34.1	0	0	0	111.8
1032	T	26.7	Very low	31.3	Very low	141 Å²	141	128 Å²	128	87%	0.865	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-91.8	121.3	174.2	-36.1	0	0	0	0	110
1033	L	28	Very low	31.2	Very low	178 Å²	178	129.2 Å²	129.2	93%	0.932	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.4	129.2	174.7	-89.9	162.2	0	0	0	111.1
1034	A	27.1	Very low	31.1	Very low	92 Å²	92	129.4 Å²	129.4	76%	0.76	80%	0.802	S	S	*	*			trans	-106	129.6	172.9	0	0	0	0	0	109.9
1035	M	28.4	Very low	30.8	Very low	180 Å²	180	131.9 Å²	131.9	89%	0.887	81%	0.809	S	S	*	*			trans	-74	137	177.5	-77.8	-70.6	175.4	0	0	111.5
1036	P	29.5	Very low	30.9	Very low	103 Å²	103	131.4 Å²	131.4	67%	0.669	80%	0.804	S	S	*	*			trans	-72.7	141.3	175	30.2	-34.2	0	0	0	111.4	I1038	P1036-I1038 PolarHBondContact O-N 3.49Å
1037	N	27.1	Very low	30.8	Very low	174 Å²	174	131.6 Å²	131.6	93%	0.93	80%	0.8	S	S	*	*			trans	-72.3	109.3	172.3	-85.8	-43	0	0	0	110.3	A1039	N1037-A1039 PolarHBondContact O-N 3.21Å
1038	I	30.8	Very low	30.3	Very low	153 Å²	153	133.8 Å²	133.8	79%	0.785	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.2	123.6	-180	-61.5	173	0	0	0	110.4	P1036	P1036-I1038 PolarHBondContact O-N 3.49Å
1039	A	29.3	Very low	29.5	Very low	81 Å²	81	141.1 Å²	141.1	67%	0.669	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.3	139.9	164.3	0	0	0	0	0	110.2	N1037 G1041	N1037-A1039 PolarHBondContact O-N 3.21Å; A1039-G1041 PolarHBondContact O-N 3.42Å
1040	V	29.8	Very low	29	Very low	158 Å²	158	140.1 Å²	140.1	96%	0.958	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	118.8	-174.1	-178.7	0	0	0	0	111
1041	G	34.6	Very low	28.8	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.4	3.3	169.5	0	0	0	0	0	118	A1039	A1039-G1041 PolarHBondContact O-N 3.42Å
1042	Q	32	Very low	28.6	Very low	159 Å²	159	138.8 Å²	138.8	74%	0.743	80%	0.799	S	S	*	*			trans	-126.1	133.8	-179.1	-69.1	-179.9	-25.8	0	0	112.2	V1044	Q1042-V1044 HydrophobicContact CB-CG2 4.45Å
1043	N	30.7	Very low	28.6	Very low	170 Å²	170	138 Å²	138	91%	0.909	80%	0.796	S	S	*	*			trans	-90.9	108.5	167.5	-73.1	5.8	0	0	0	108.4
1044	V	31.2	Very low	28.6	Very low	114 Å²	114	134.7 Å²	134.7	69%	0.691	79%	0.794	S	S	*	*			trans	-108.3	117.6	174.8	-178.1	0	0	0	0	108.7	Q1042 V1046	Q1042-V1044 HydrophobicContact CB-CG2 4.45Å; V1044-V1046 HydrophobicContact CG1-CG2 4.06Å
1045	T	30.1	Very low	28.7	Very low	128 Å²	128	135.1 Å²	135.1	79%	0.785	79%	0.791	S	S	*	*			trans	-96.4	104.6	175.6	-28	0	0	0	0	109.2
1046	V	29.8	Very low	28.7	Very low	128 Å²	128	132 Å²	132	78%	0.776	78%	0.782	S	S	*	*			trans	-93.4	114.5	172.2	-176.5	0	0	0	0	108.2	V1044	V1044-V1046 HydrophobicContact CG1-CG2 4.06Å
1047	T	28.2	Very low	28.8	Very low	121 Å²	121	134 Å²	134	74%	0.742	79%	0.787	S	S	*	*			trans	-104.4	98.7	177.2	50.4	0	0	0	0	110.6
1048	E	24.9	Very low	28.6	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	79%	0.786	S	S	*	*			trans	-76.9	139.8	172.7	-172.1	170.3	-166.1	0	0	110.9	V1050	E1048-V1050 HydrophobicContact CG-CG2 4.3Å
1049	R	26.6	Very low	28.4	Very low	234 Å²	234	132.6 Å²	132.6	88%	0.883	78%	0.783	S	S	*	*			trans	-143.2	103.7	172.2	-112.7	-171.5	-177.5	-169.5	1.7	109.1
1050	V	23.9	Very low	28.1	Very low	115 Å²	115	134.1 Å²	134.1	70%	0.697	79%	0.789	S	S	*	*			trans	-89.6	126.3	173.4	-177.4	0	0	0	0	109	E1048	E1048-V1050 HydrophobicContact CG-CG2 4.3Å
1051	L	27.6	Very low	27.9	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	79%	0.786	S	S	*	*			trans	-132.1	127.8	170.3	-69.7	172.9	0	0	0	107.7
1052	A	24.6	Very low	27.5	Very low	92 Å²	92	142.6 Å²	142.6	76%	0.76	79%	0.791	S	S	*	*			trans	-129.2	115.9	-175.5	0	0	0	0	0	110.4
1053	P	27.1	Very low	27.3	Very low	125 Å²	125	141.9 Å²	141.9	81%	0.812	79%	0.791	S	S	*	*			trans	-78.9	147.1	168.4	32.7	-32.7	0	0	0	110.7
1054	A	26.4	Very low	27.3	Very low	107 Å²	107	139.1 Å²	139.1	88%	0.884	78%	0.782	S	S	*	*			trans	-76.7	162.1	170.2	0	0	0	0	0	111.4
1055	S	29.8	Very low	27.1	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	79%	0.79	S	S	*	*			trans	-137	148.3	-169.2	60.3	0	0	0	0	112.8
1056	T	29.3	Very low	26.9	Very low	114 Å²	114	142.1 Å²	142.1	70%	0.699	79%	0.789	S	S	*	*			trans	-174.6	151.9	153	37.4	0	0	0	0	108.7
1057	L	30.8	Very low	26.7	Very low	147 Å²	147	142.3 Å²	142.3	77%	0.77	79%	0.786	S	S	*	*			cis	-160.6	156.3	-19.4	-120.9	171.6	0	0	0	107.9
1058	Q	23.8	Very low	26.5	Very low	192 Å²	192	141.4 Å²	141.4	90%	0.897	79%	0.785	S	S	*	*			trans	-142.8	136.6	138.3	-156	174	32.7	0	0	108.6
1059	S	26.1	Very low	26.6	Very low	104 Å²	104	141 Å²	141	73%	0.727	79%	0.787	S	S	*	*			trans	-88.2	140.8	-164.3	54.1	0	0	0	0	113.5
1060	S	23.4	Very low	26.6	Very low	114 Å²	114	139.7 Å²	139.7	80%	0.797	79%	0.788	S	S	*	*				-166	125.6	127.2	43.5	0	0	0	0	109.7
1061	Y	24.6	Very low	26.7	Very low	229 Å²	229	138.8 Å²	138.8	90%	0.898	79%	0.792	S	S	*	*			trans	-111.8	138.3	160.2	-114.5	-84.3	0	0	0	109.1	I1063	Y1061-I1063 HydrophobicContact CD1-CD1 4.41Å
1062	Q	27.6	Very low	26.6	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	80%	0.796	S	S	*	*			trans	-79.1	-178.4	172.8	-59.4	173.3	-28.2	0	0	110
1063	I	27.6	Very low	26.6	Very low	144 Å²	144	145.1 Å²	145.1	74%	0.738	80%	0.796	S	S	*	*			trans	149.3	140.5	136.2	-79.5	155.9	0	0	0	109.3	Y1061	Y1061-I1063 HydrophobicContact CD1-CD1 4.41Å
1064	P	29.3	Very low	26.5	Very low	111 Å²	111	144.5 Å²	144.5	72%	0.721	79%	0.79	S	S	*	*			cis	-119.4	-178.4	-21.9	30.1	-11.5	0	0	0	112.5
1065	T	27.1	Very low	26.4	Very low	141 Å²	141	147.2 Å²	147.2	87%	0.865	79%	0.786	S	S	*	*			trans	-112	136.9	155.2	41.8	0	0	0	0	110.5
1066	E	25.6	Very low	26.1	Very low	164 Å²	164	149.3 Å²	149.3	77%	0.766	79%	0.794	S	S	*	*			trans	-138.5	120.2	165.1	-89.7	-127.1	123.4	0	0	111.8
1067	N	26.2	Very low	25.9	Very low	133 Å²	133	149 Å²	149	71%	0.711	80%	0.797	S	S	*	*			trans	68.2	146.2	139.2	-60.4	-38.2	0	0	0	123.8
1068	S	24.6	Very low	25.7	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	79%	0.794	S	S	*	*			trans	78.6	90.7	153.4	-169.4	0	0	0	0	121.3
1069	L	27	Very low	26	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	80%	0.797	S	S	*	*				30.5	109.1	115.5	-75.2	158.2	0	0	0	118.9
1070	K	26.4	Very low	25.9	Very low	208 Å²	208	139.7 Å²	139.7	90%	0.904	79%	0.793	S	S	*	*				-179.4	152.3	114.1	-98.1	154.3	-173.3	165.4	0	112.6
1071	A	26.2	Very low	26.3	Very low	96 Å²	96	141 Å²	141	79%	0.793	80%	0.796	S	S	*	*			trans	-99.8	144.9	175.2	0	0	0	0	0	111.9
1072	R	24.2	Very low	27.4	Very low	242 Å²	242	135.7 Å²	135.7	91%	0.913	79%	0.79	S	S	*	*			trans	-162.5	155	144.5	-123	174.3	-179.9	169.7	-0.5	114.7
1073	N	25.4	Very low	27.5	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	79%	0.787	S	S	*	*			trans	-65.5	175.5	170.1	-44	-17.7	0	0	0	110.2
1074	T	25	Very low	28.6	Very low	113 Å²	113	130.5 Å²	130.5	69%	0.693	79%	0.794	S	S	*	*			cis	-169.2	159.3	31.4	-24.2	0	0	0	0	111.6
1075	M	23.8	Very low	28.5	Very low	164 Å²	164	132.8 Å²	132.8	81%	0.808	80%	0.8	S	S	*	*			trans	48.5	132.2	143.9	-86.6	166.7	171	0	0	122.3
1076	V	24.4	Very low	29.5	Very low	144 Å²	144	132.5 Å²	132.5	87%	0.873	80%	0.8	S	S	*	*			trans	-121.5	142.8	144.4	175.5	0	0	0	0	108.4
1077	S	25.2	Very low	29.7	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	80%	0.801	S	S	*	*			trans	-126.3	160.5	170.4	-61.5	0	0	0	0	108.3
1078	G	25.8	Very low	29.9	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	81%	0.809	S	S	*	*			cis	149.5	138.3	-2.7	0	0	0	0	0	111.5
1079	A	29.7	Very low	30	Very low	116 Å²	116	133.2 Å²	133.2	96%	0.959	81%	0.808	S	S	*	*			trans	65.9	156.5	-177.8	0	0	0	0	0	116.7
1080	G	25.6	Very low	30.1	Very low	63 Å²	63	134 Å²	134	65%	0.649	81%	0.812	S	S	*	*			cis	-172.1	151	-4.8	0	0	0	0	0	111.4
1081	V	31.1	Very low	30.3	Very low	141 Å²	141	132.2 Å²	132.2	86%	0.855	81%	0.807	S	S	*	*				85.5	137.8	74.9	163.4	0	0	0	0	113.2
1082	P	46.8	Very low	30.4	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	81%	0.807	S	S	*	*			cis	-149	165.3	-25.6	41.5	-21.6	0	0	0	119.3
1083	G	29.6	Very low	30.6	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	80%	0.803	S	S	*	*			trans	62.6	-176.1	144.6	0	0	0	0	0	122.1
1084	P	51.8	Low	30.7	Very low	137 Å²	137	126.8 Å²	126.8	89%	0.89	80%	0.804	S	S	*	*			cis	-135.1	-163.6	-12.5	43.5	-25	0	0	0	115.9
1085	L	27.8	Very low	30.8	Very low	160 Å²	160	130.1 Å²	130.1	84%	0.838	81%	0.812	S	S	*	*			trans	-78.5	171.6	-175	-69.9	155.8	0	0	0	116.5
1086	P	47.5	Very low	30.9	Very low	134 Å²	134	126.7 Å²	126.7	87%	0.87	80%	0.804	S	S	*	*				-142.4	-167.9	102.4	40.7	-25.7	0	0	0	116
1087	D	29.1	Very low	31	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	81%	0.805	S	S	*	*			trans	-134.3	-166.9	-151.5	-154	-17	0	0	0	115
1088	F	30.2	Very low	31	Very low	200 Å²	200	128.6 Å²	128.6	88%	0.877	81%	0.81	S	S	*	*			trans	91	139.9	178.4	-52.5	-68.8	0	0	0	117.4
1089	G	27.1	Very low	31.1	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	81%	0.814	S	S	*	*			cis	126	106.9	-18.3	0	0	0	0	0	117.5
1090	L	29.1	Very low	31	Very low	172 Å²	172	133.4 Å²	133.4	90%	0.901	81%	0.807	S	S	*	*			trans	-168.8	170.2	160.6	-113.3	167.6	0	0	0	113.2
1091	E	30.1	Very low	30.9	Very low	171 Å²	171	135.9 Å²	135.9	80%	0.799	81%	0.81	S	S	*	*			trans	-101.5	178	-163.1	-48.6	163.3	125.2	0	0	113.4
1092	E	29.9	Very low	30.6	Very low	170 Å²	170	134.6 Å²	134.6	79%	0.794	80%	0.802	S	S	*	*			cis	-158.8	159.5	2.5	-149.8	-166.5	174.9	0	0	112.4
1093	S	28.1	Very low	29.5	Very low	118 Å²	118	133.6 Å²	133.6	83%	0.825	80%	0.798	S	S	*	*			trans	69.6	145.1	159.1	80.8	0	0	0	0	119.9
1094	G	26.7	Very low	29.3	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	80%	0.797	S	S	*	*			trans	166.6	-8.8	172.5	0	0	0	0	0	123.4
1095	H	26.5	Very low	28.2	Very low	184 Å²	184	135.3 Å²	135.3	85%	0.852	80%	0.796	S	S	*	*			trans	67.5	125.4	177.4	-99.4	75.4	0	0	0	119.9
1096	S	26.1	Very low	28.1	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	80%	0.798	S	S	*	*			trans	42	90.3	146.7	60.9	0	0	0	0	120.7
1097	N	26.9	Very low	27.1	Very low	167 Å²	167	138.6 Å²	138.6	89%	0.893	79%	0.793	S	S	*	*				-176	115.3	113	-93.6	-17	0	0	0	110.7
1098	S	26.6	Very low	26.8	Very low	124 Å²	124	137.2 Å²	137.2	87%	0.867	79%	0.791	S	S	*	*			trans	-114.2	105.7	-178.3	56.9	0	0	0	0	112.1
1099	T	26.3	Very low	26.6	Very low	129 Å²	129	136.5 Å²	136.5	79%	0.791	79%	0.787	S	S	*	*			trans	-94.5	165.2	164.2	-43.3	0	0	0	0	109.2
1100	I	28.5	Very low	26.6	Very low	157 Å²	157	142 Å²	142	81%	0.805	79%	0.794	S	S	*	*			trans	67.2	134	176.8	-18.2	178.3	0	0	0	111.4
1101	T	23.9	Very low	26.3	Very low	116 Å²	116	138.8 Å²	138.8	71%	0.712	79%	0.786	S	S	*	*			cis	-142.3	-170.6	31.2	50.3	0	0	0	0	109.6
1102	T	24.9	Very low	26.1	Very low	114 Å²	114	137.7 Å²	137.7	70%	0.699	79%	0.791	S	S	*	*			cis	-161.7	126.2	21.6	-3.4	0	0	0	0	107.3
1103	S	23.7	Very low	25.9	Very low	97 Å²	97	135 Å²	135	68%	0.678	79%	0.786	S	S	*	*				78.3	137.6	95.9	77.6	0	0	0	0	119.1
1104	S	25	Very low	25.8	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	79%	0.789	S	S	*	*			trans	60.1	104.4	156.6	64.7	0	0	0	0	119.8
1105	T	28.8	Very low	25.8	Very low	141 Å²	141	142.2 Å²	142.2	87%	0.865	79%	0.787	S	S	*	*			trans	-48.1	142.1	145.1	37.1	0	0	0	0	113
1106	R	25	Very low	25.7	Very low	235 Å²	235	138.4 Å²	138.4	89%	0.887	78%	0.781	S	S	*	*			trans	-146	130.6	153.9	-169.6	175.4	-176	177.4	3.7	111.3
1107	V	26.3	Very low	26	Very low	128 Å²	128	144 Å²	144	78%	0.776	79%	0.789	S	S	*	*			trans	-97	137.1	177.7	172.8	0	0	0	0	110.7
1108	T	23.9	Very low	26.2	Very low	118 Å²	118	144.9 Å²	144.9	72%	0.724	81%	0.809	S	S	*	*			trans	-162.6	117.6	143.1	16	0	0	0	0	113.2
1109	K	25.3	Very low	26.2	Very low	185 Å²	185	146 Å²	146	80%	0.804	81%	0.806	S	S	*	*			trans	33.4	132.4	144.4	-60.8	-177.7	175.4	-174.8	0	120.3
1110	H	26.3	Very low	26.2	Very low	184 Å²	184	146.8 Å²	146.8	85%	0.852	81%	0.806	S	S	*	*				-156.7	119.4	105.4	-93.6	39.6	0	0	0	105.9
1111	S	24.3	Very low	26.1	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	81%	0.806	S	S	*	*				75.5	81.3	78.1	-164.9	0	0	0	0	113.9
1112	T	25.9	Very low	26.2	Very low	147 Å²	147	148.1 Å²	148.1	90%	0.902	81%	0.812	S	S	*	*			trans	-76.1	140.2	168.7	27.4	0	0	0	0	111.8
1113	V	25.3	Very low	26.3	Very low	114 Å²	114	150.2 Å²	150.2	69%	0.691	82%	0.819	S	S	*	*			trans	-113.7	126.2	174.2	173.5	0	0	0	0	108.6
1114	Q	26.3	Very low	26.5	Very low	192 Å²	192	153.7 Å²	153.7	90%	0.897	83%	0.829	S	S	*	*			trans	-75.5	135.5	165.5	-68.6	176.7	-69.5	0	0	109.4
1115	H	25.3	Very low	26.6	Very low	152 Å²	152	157.1 Å²	157.1	70%	0.704	83%	0.834	S	S	*	*			trans	-117.5	109.6	157.7	-100.9	-73.3	0	0	0	109.4
1116	S	25.6	Very low	26.4	Very low	104 Å²	104	158.3 Å²	158.3	73%	0.727	83%	0.832	S	S	*	*			trans	-72	155.7	153	47.3	0	0	0	0	109.6
1117	Y	31.6	Very low	26.5	Very low	208 Å²	208	151.9 Å²	151.9	82%	0.816	83%	0.827	S	S	*	*			trans	-129.5	157.4	158.2	-95.6	-84.2	0	0	0	109.7
1118	S	32.2	Very low	26.5	Very low	187 Å²	187	154.1 Å²	154.1	100%	1.308	83%	0.832	S	S	*	*			trans	-70.9	0	-168.9	56.5	0	0	0	0	114.6

Retrieved 1,118 of 1,118 residues in 229.2 ms (Link to these results)

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